smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[C@H]1N(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC12CCC2 ZINC000553071237 1013045935 /nfs/dbraw/zinc/04/59/35/1013045935.db2.gz MZZPDIFTKMZXCC-MRXNPFEDSA-N 0 2 405.545 3.595 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]1C ZINC000301314415 970862274 /nfs/dbraw/zinc/86/22/74/970862274.db2.gz KAQZTURMBFGZRN-AWEZNQCLSA-N 0 2 405.476 3.783 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N[C@H](c3ccco3)c3ccccc3)cc2[nH]c1=S ZINC000302858012 971358607 /nfs/dbraw/zinc/35/86/07/971358607.db2.gz QJPMKZWZMJLNHB-IBGZPJMESA-N 0 2 405.479 3.818 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)CC3CCCC3)ccc2F)cc1 ZINC000303383045 971673895 /nfs/dbraw/zinc/67/38/95/971673895.db2.gz MAUCLJBBEYJKNH-UHFFFAOYSA-N 0 2 420.506 3.897 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2ccc(F)c(NC(=O)C3CCCCC3)c2)c1 ZINC000553149923 1013109333 /nfs/dbraw/zinc/10/93/33/1013109333.db2.gz QHSNBMWUSIYYJY-UHFFFAOYSA-N 0 2 422.478 3.860 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c(C)c1 ZINC000524298128 1013109360 /nfs/dbraw/zinc/10/93/60/1013109360.db2.gz SCDYRDHNDDSTBK-AWEZNQCLSA-N 0 2 409.577 3.883 20 0 HHADLN CC[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)C1 ZINC000303446589 971740843 /nfs/dbraw/zinc/74/08/43/971740843.db2.gz ZRCXDMANVVGKEW-HNNXBMFYSA-N 0 2 420.506 3.897 20 0 HHADLN CC[C@@H](C)CN(C)C(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000303572022 971864136 /nfs/dbraw/zinc/86/41/36/971864136.db2.gz YUJGTKUSNWCJQD-CQSZACIVSA-N 0 2 408.495 3.753 20 0 HHADLN COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1-n1nccc1C ZINC000542236557 1013193893 /nfs/dbraw/zinc/19/38/93/1013193893.db2.gz KQQUTFRMPZYBDZ-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN CCCOc1ccccc1NC(=O)CC1S/C(=N\CCc2ccccc2)NC1=O ZINC000007883405 961361880 /nfs/dbraw/zinc/36/18/80/961361880.db2.gz ICPGEUCRVLNKPC-LJQANCHMSA-N 0 2 411.527 3.634 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC2CCCC2)ccc1Cl ZINC000008033345 961405619 /nfs/dbraw/zinc/40/56/19/961405619.db2.gz XAUNRQJCYBTQSZ-UHFFFAOYSA-N 0 2 408.907 3.822 20 0 HHADLN CCOC(=O)c1sc2ncc(S(=O)(=O)Nc3ccc(C)cc3O)cc2c1C ZINC000537739411 1013301467 /nfs/dbraw/zinc/30/14/67/1013301467.db2.gz LICVCKBLYNNDNA-UHFFFAOYSA-N 0 2 406.485 3.596 20 0 HHADLN C[C@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)c1nc(Cc2ccccc2)no1 ZINC000553425937 1013344447 /nfs/dbraw/zinc/34/44/47/1013344447.db2.gz IETDQWHUHIWRSF-JTQLQIEISA-N 0 2 413.833 3.632 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Cl)cc1F ZINC000015579609 962800495 /nfs/dbraw/zinc/80/04/95/962800495.db2.gz AVBCRFSEIRWPQE-UHFFFAOYSA-N 0 2 411.867 3.989 20 0 HHADLN C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000015683560 962836025 /nfs/dbraw/zinc/83/60/25/962836025.db2.gz XRCUNPSWRPJJRU-CQSZACIVSA-N 0 2 414.845 3.741 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccccc3)cc2[nH]c1=S ZINC000018124934 963274012 /nfs/dbraw/zinc/27/40/12/963274012.db2.gz HDHHQZAIKGVSBB-OAHLLOKOSA-N 0 2 411.527 3.555 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2[nH]c1=S ZINC000018151017 963279277 /nfs/dbraw/zinc/27/92/77/963279277.db2.gz TUFONXHSXQCNMW-UHFFFAOYSA-N 0 2 415.902 3.707 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccc(OC)cc3)cc2[nH]c1=S ZINC000021623152 963507500 /nfs/dbraw/zinc/50/75/00/963507500.db2.gz DBNOLWCMUWSDMT-FQEVSTJZSA-N 0 2 421.522 3.857 20 0 HHADLN CC(C)S(=O)(=O)Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000052025217 964785230 /nfs/dbraw/zinc/78/52/30/964785230.db2.gz QBCVUSITKGFRIQ-UHFFFAOYSA-N 0 2 405.900 3.603 20 0 HHADLN CC[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1Cl)c2=O ZINC000027338621 964854750 /nfs/dbraw/zinc/85/47/50/964854750.db2.gz CUHCMFNXYSLGMS-GFCCVEGCSA-N 0 2 401.919 3.915 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)c(Br)c1 ZINC000028241997 965061609 /nfs/dbraw/zinc/06/16/09/965061609.db2.gz BODDYIGUBSOWEH-UHFFFAOYSA-N 0 2 420.231 3.705 20 0 HHADLN O=C1CCC(=O)N1Cc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000028255188 965064432 /nfs/dbraw/zinc/06/44/32/965064432.db2.gz IIVIZHNKXJETEL-UHFFFAOYSA-N 0 2 419.311 3.505 20 0 HHADLN C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)o1 ZINC000053367714 965145880 /nfs/dbraw/zinc/14/58/80/965145880.db2.gz HIJWVQASEKLNKT-DNVCBOLYSA-N 0 2 408.454 3.969 20 0 HHADLN N#Cc1ccccc1OCc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2)o1 ZINC000057097082 965281214 /nfs/dbraw/zinc/28/12/14/965281214.db2.gz YGRMDTAVZBQOMB-UHFFFAOYSA-N 0 2 411.417 3.958 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1c[nH]c2ncccc12 ZINC000057123255 965295737 /nfs/dbraw/zinc/29/57/37/965295737.db2.gz SXNCLUWVRAUBJZ-ZDUSSCGKSA-N 0 2 407.879 3.575 20 0 HHADLN CCc1cc(C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)sc1C ZINC000054032114 965360536 /nfs/dbraw/zinc/36/05/36/965360536.db2.gz LGLKDQUWUYONHI-UHFFFAOYSA-N 0 2 408.530 3.524 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1[N+](=O)[O-] ZINC000057689877 965523694 /nfs/dbraw/zinc/52/36/94/965523694.db2.gz TVJMYEJVQRDRCF-UHFFFAOYSA-N 0 2 403.441 3.720 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1[N+](=O)[O-] ZINC000057689291 965523998 /nfs/dbraw/zinc/52/39/98/965523998.db2.gz GJXYJYHDIGXAQY-UHFFFAOYSA-N 0 2 417.468 3.626 20 0 HHADLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000057720509 965530307 /nfs/dbraw/zinc/53/03/07/965530307.db2.gz CWHYVEQJGWPUFK-UHFFFAOYSA-N 0 2 400.441 3.699 20 0 HHADLN N#Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)n2)cc1 ZINC000057720699 965530363 /nfs/dbraw/zinc/53/03/63/965530363.db2.gz USACFYBWZUVCQE-UHFFFAOYSA-N 0 2 413.480 3.644 20 0 HHADLN CCCn1c(C)c(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c2cc(OC)ccc21 ZINC000030032202 965605486 /nfs/dbraw/zinc/60/54/86/965605486.db2.gz JDCWOVUEISMPHR-UHFFFAOYSA-N 0 2 424.526 3.939 20 0 HHADLN COc1ccc(-c2nc(SCC(=O)N(C)C3CCCCC3)[nH]c(=O)c2C#N)cc1 ZINC000030587721 965737448 /nfs/dbraw/zinc/73/74/48/965737448.db2.gz TZMSABLMIXMRSL-UHFFFAOYSA-N 0 2 412.515 3.613 20 0 HHADLN COc1cc(Cl)c(C)cc1NC(=O)CC1SC(N2CCC[C@H](C)C2)=NC1=O ZINC000055117721 965761690 /nfs/dbraw/zinc/76/16/90/965761690.db2.gz QCVYNHTWZZTJQN-MEDUHNTESA-N 0 2 409.939 3.716 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NN=C2CCCC2)ccc1Cl ZINC000058652413 965828668 /nfs/dbraw/zinc/82/86/68/965828668.db2.gz AFUSXDUPMHPXTK-UHFFFAOYSA-N 0 2 421.906 3.809 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](C)[C@H](OC)c3ccc(F)cc3)s[nH]2)c1 ZINC000542687110 1013607245 /nfs/dbraw/zinc/60/72/45/1013607245.db2.gz XLBQIEOSDYYCDP-SJCJKPOMSA-N 0 2 416.478 3.672 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(Cc3ccccc3)C[C@@H]3CCCO3)s[nH]2)c1 ZINC000542689101 1013608874 /nfs/dbraw/zinc/60/88/74/1013608874.db2.gz YVWIJPSGNQXHRK-IBGZPJMESA-N 0 2 424.526 3.849 20 0 HHADLN COC(=O)c1ccc(Br)c(S(=O)(=O)Nc2ccccc2SC)c1 ZINC000055556678 965914319 /nfs/dbraw/zinc/91/43/19/965914319.db2.gz SODDFPOZSQCTQW-UHFFFAOYSA-N 0 2 416.318 3.758 20 0 HHADLN Cc1ccc(-c2nc(C(=O)NNC(=O)c3ccccc3Br)cs2)o1 ZINC000031206157 965934832 /nfs/dbraw/zinc/93/48/32/965934832.db2.gz ALKZIYQNCDIPJM-UHFFFAOYSA-N 0 2 406.261 3.549 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCc3ccc(OC(F)F)cc3)s[nH]2)c1 ZINC000542693027 1013611249 /nfs/dbraw/zinc/61/12/49/1013611249.db2.gz UQUNQEMSPUIHSY-UHFFFAOYSA-N 0 2 406.414 3.559 20 0 HHADLN Cc1nnnn1-c1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 ZINC000055589227 965944241 /nfs/dbraw/zinc/94/42/41/965944241.db2.gz NXFXALQJHSPZQY-UHFFFAOYSA-N 0 2 418.693 3.732 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N[C@@H](c3ccc(OC)cc3)C3CC3)cc2[nH]c1=S ZINC000031258213 965955604 /nfs/dbraw/zinc/95/56/04/965955604.db2.gz BSWUBVPNRRZVCE-HXUWFJFHSA-N 0 2 421.522 3.761 20 0 HHADLN O=C1OCCN1Cc1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000055609584 965960394 /nfs/dbraw/zinc/96/03/94/965960394.db2.gz AURRQYVFRDSTRD-UHFFFAOYSA-N 0 2 401.271 3.746 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cccnc1Oc1ccccc1 ZINC000055636589 965982205 /nfs/dbraw/zinc/98/22/05/965982205.db2.gz XAKIAXHOMNHNTF-UHFFFAOYSA-N 0 2 413.455 3.642 20 0 HHADLN O=C(NC1CC1)c1cc(NS(=O)(=O)c2cccc(Cl)c2F)ccc1Cl ZINC000055639316 965983557 /nfs/dbraw/zinc/98/35/57/965983557.db2.gz LNRAVRXQOMSRED-UHFFFAOYSA-N 0 2 403.262 3.826 20 0 HHADLN CC(C)COc1ccccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000055652007 965999249 /nfs/dbraw/zinc/99/92/49/965999249.db2.gz IIDPSEYIZJGFME-UHFFFAOYSA-N 0 2 417.936 3.579 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(-c4cc[nH]n4)c3)cc2[nH]c1=S ZINC000031588127 966059988 /nfs/dbraw/zinc/05/99/88/966059988.db2.gz CWGXSUORQVXJAY-UHFFFAOYSA-N 0 2 403.467 3.514 20 0 HHADLN COc1ccc(-c2n[nH]c(NC(=O)c3csc(-c4ccccc4)n3)n2)c(OC)c1 ZINC000060200081 966073770 /nfs/dbraw/zinc/07/37/70/966073770.db2.gz VPIXEHWSJYNKGI-UHFFFAOYSA-N 0 2 407.455 3.865 20 0 HHADLN CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2Cl)cn1C ZINC000031667743 966080316 /nfs/dbraw/zinc/08/03/16/966080316.db2.gz FAZZGHJSEDWPRY-UHFFFAOYSA-N 0 2 419.890 3.631 20 0 HHADLN CCN(CC)C(=O)COc1ccc(NS(=O)(=O)c2ccc(C)s2)cc1Cl ZINC000031721101 966095153 /nfs/dbraw/zinc/09/51/53/966095153.db2.gz QXOFYHUKDLGPII-UHFFFAOYSA-N 0 2 416.952 3.758 20 0 HHADLN CC(C)NC(=O)Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000031722122 966096419 /nfs/dbraw/zinc/09/64/19/966096419.db2.gz XQAKODMSYCQKNH-UHFFFAOYSA-N 0 2 401.315 3.861 20 0 HHADLN O=C(NC1CC1)c1cc(SCc2nc(=O)c3sccc3[nH]2)nc2ccccc21 ZINC000031782421 966121844 /nfs/dbraw/zinc/12/18/44/966121844.db2.gz IWNQMOZPDMVBFX-UHFFFAOYSA-N 0 2 408.508 3.717 20 0 HHADLN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000542726112 1013637749 /nfs/dbraw/zinc/63/77/49/1013637749.db2.gz LRGYUQZNIJPBCW-AWEZNQCLSA-N 0 2 402.911 3.989 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000542727113 1013639254 /nfs/dbraw/zinc/63/92/54/1013639254.db2.gz DVSGBJXLGNODHX-CQSZACIVSA-N 0 2 401.879 3.580 20 0 HHADLN COCC[C@H](Cc1ccco1)NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000542727132 1013639283 /nfs/dbraw/zinc/63/92/83/1013639283.db2.gz DZTDLKYHAWSIEU-GFCCVEGCSA-N 0 2 406.895 3.643 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(OCc3ccccn3)c2)c(F)c1 ZINC000032597274 966291270 /nfs/dbraw/zinc/29/12/70/966291270.db2.gz APDICXLKLBYNHG-UHFFFAOYSA-N 0 2 415.446 3.559 20 0 HHADLN COc1cccc(CCNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c1OC ZINC000542729852 1013642549 /nfs/dbraw/zinc/64/25/49/1013642549.db2.gz QLVJKNPUAYEXEV-UHFFFAOYSA-N 0 2 418.906 3.662 20 0 HHADLN Cc1noc(C(C)C)c1C(=O)NNC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000061485080 966478727 /nfs/dbraw/zinc/47/87/27/966478727.db2.gz NSUCIUVXFUSPSF-UHFFFAOYSA-N 0 2 404.426 3.989 20 0 HHADLN N#C[C@@H](C(=O)c1csc(COc2ccc(F)cc2)n1)c1nnc2n1CCCCC2 ZINC000041506425 966582587 /nfs/dbraw/zinc/58/25/87/966582587.db2.gz YQKFYTHWTYHWGG-HNNXBMFYSA-N 0 2 411.462 3.669 20 0 HHADLN O=C1c2ccccc2N[C@@H](c2cc([N+](=O)[O-])ccc2O)N1c1ccc2c(c1)OCO2 ZINC000041864150 966654105 /nfs/dbraw/zinc/65/41/05/966654105.db2.gz PWDDGZZTPHGTAT-HXUWFJFHSA-N 0 2 405.366 3.800 20 0 HHADLN O=C(NCCc1ccccc1Cl)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000063070767 966746852 /nfs/dbraw/zinc/74/68/52/966746852.db2.gz GFTKBVRFJGNCIF-UHFFFAOYSA-N 0 2 413.861 3.699 20 0 HHADLN Cc1c(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)oc2c1C(=O)CCC2 ZINC000042215534 966747479 /nfs/dbraw/zinc/74/74/79/966747479.db2.gz IWMNJBIVLSQITL-UHFFFAOYSA-N 0 2 418.449 3.614 20 0 HHADLN COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(NC(=O)OCC(C)C)c1 ZINC000063181434 966770498 /nfs/dbraw/zinc/77/04/98/966770498.db2.gz VPLYYAXOLJAFHJ-UHFFFAOYSA-N 0 2 423.447 3.609 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@H]2C[C@H]2C)ccc1Cl ZINC000043114338 966909293 /nfs/dbraw/zinc/90/92/93/966909293.db2.gz KTKSRGUCGZPZFI-TZMCWYRMSA-N 0 2 408.907 3.535 20 0 HHADLN O=C(Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1ccc2ccccc2c1 ZINC000043274309 966941947 /nfs/dbraw/zinc/94/19/47/966941947.db2.gz BWWPMHYIYRNLDL-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc(C)cc1OCC(F)(F)F ZINC000064477088 967203072 /nfs/dbraw/zinc/20/30/72/967203072.db2.gz HBCARERMBJMNBZ-UHFFFAOYSA-N 0 2 417.405 3.832 20 0 HHADLN CCSc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)ccn1 ZINC000064671871 967266241 /nfs/dbraw/zinc/26/62/41/967266241.db2.gz HCGOYIVVDWMFPW-UHFFFAOYSA-N 0 2 420.541 3.703 20 0 HHADLN CCNC(=O)c1ccccc1NC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000065107167 967380161 /nfs/dbraw/zinc/38/01/61/967380161.db2.gz KCPHEPFPGFDLTM-UHFFFAOYSA-N 0 2 413.275 3.841 20 0 HHADLN COCc1nc(C(=O)NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cs1 ZINC000065215246 967408710 /nfs/dbraw/zinc/40/87/10/967408710.db2.gz VWUZQEBVOKHOPU-UHFFFAOYSA-N 0 2 424.857 3.593 20 0 HHADLN COc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1 ZINC000046303864 967731722 /nfs/dbraw/zinc/73/17/22/967731722.db2.gz CWWISCCUQXJNPR-UHFFFAOYSA-N 0 2 406.847 3.995 20 0 HHADLN CCCc1ccccc1NC(=O)c1ccc2c(c1)[nH]c(=S)n(CCCOC)c2=O ZINC000046395616 967779130 /nfs/dbraw/zinc/77/91/30/967779130.db2.gz GOGODORQDUVMKB-UHFFFAOYSA-N 0 2 411.527 3.927 20 0 HHADLN CCCOc1ccc(C(=O)NNC(=O)c2nc(-c3cccs3)oc2C)cc1OC ZINC000046572223 967864253 /nfs/dbraw/zinc/86/42/53/967864253.db2.gz DSFAKJQVARBPAL-UHFFFAOYSA-N 0 2 415.471 3.584 20 0 HHADLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ncc(C3CCCCC3)s2)c1 ZINC000542928233 1013763840 /nfs/dbraw/zinc/76/38/40/1013763840.db2.gz QNFWCZISVAZPCF-UHFFFAOYSA-N 0 2 410.517 3.787 20 0 HHADLN O=C(Nn1cnc2sc3c(c2c1=O)CCCC3)c1cnc(-c2ccccc2)s1 ZINC000047055429 968042834 /nfs/dbraw/zinc/04/28/34/968042834.db2.gz GTQAUZPHFYUSLT-UHFFFAOYSA-N 0 2 408.508 3.844 20 0 HHADLN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2OC)cc1 ZINC000047214932 968091207 /nfs/dbraw/zinc/09/12/07/968091207.db2.gz DTBKVHUSJTVIJQ-UHFFFAOYSA-N 0 2 412.467 3.757 20 0 HHADLN CCCCc1nc2ccc(NC(=O)c3cc(F)ccc3NS(C)(=O)=O)cc2[nH]1 ZINC000065904238 968707278 /nfs/dbraw/zinc/70/72/78/968707278.db2.gz OASOQKCBGKBBJM-UHFFFAOYSA-N 0 2 404.467 3.668 20 0 HHADLN O=C(c1c(O)cc(F)cc1F)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000066043572 968780246 /nfs/dbraw/zinc/78/02/46/968780246.db2.gz QXFBBWGESOSPST-UHFFFAOYSA-N 0 2 415.465 3.752 20 0 HHADLN COc1cccc(OC)c1Oc1ccc(CNC(=O)c2c(O)cc(F)cc2F)cn1 ZINC000066047493 968781198 /nfs/dbraw/zinc/78/11/98/968781198.db2.gz ABARJZKSBRGDKH-UHFFFAOYSA-N 0 2 416.380 3.805 20 0 HHADLN COCCOc1c(Cl)cc(NS(=O)(=O)c2cc(OC)ccc2O)cc1Cl ZINC000538297533 1013833060 /nfs/dbraw/zinc/83/30/60/1013833060.db2.gz ZOAKXVBFILAMOU-UHFFFAOYSA-N 0 2 422.286 3.534 20 0 HHADLN Cc1ccc(Br)cc1S(=O)(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000071977780 968919932 /nfs/dbraw/zinc/91/99/32/968919932.db2.gz TZZBINMWWUWRFF-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN Cc1ccc(N2C(=O)C[C@H](C(=O)NO[C@@H]3CCCCO3)[C@H]2c2cccs2)cc1 ZINC000072059898 968966142 /nfs/dbraw/zinc/96/61/42/968966142.db2.gz MWMTZDOWORVRRA-DBVUQKKJSA-N 0 2 400.500 3.725 20 0 HHADLN O=C(CCC(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000096506147 969044694 /nfs/dbraw/zinc/04/46/94/969044694.db2.gz LUJJEWMHYWWICW-UHFFFAOYSA-N 0 2 415.496 3.546 20 0 HHADLN CN(C)C(=O)Sc1cccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000110905912 969739419 /nfs/dbraw/zinc/73/94/19/969739419.db2.gz YSIZVDPGWISTQS-UHFFFAOYSA-N 0 2 406.316 3.963 20 0 HHADLN Cc1ccc(-c2ncc(C(=O)NN3C(=O)N[C@@](C)(c4ccccc4)C3=O)s2)c(C)c1 ZINC000116196730 969879955 /nfs/dbraw/zinc/87/99/55/969879955.db2.gz NGOMWQDLWJAVKX-QFIPXVFZSA-N 0 2 420.494 3.539 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)NC3(C)CCC(C)CC3)cc2[nH]c1=S ZINC000116472602 969898129 /nfs/dbraw/zinc/89/81/29/969898129.db2.gz HELGNZNEWFUWNZ-UHFFFAOYSA-N 0 2 403.548 3.794 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cc(Br)ccc2Br)cn1 ZINC000134190754 969975025 /nfs/dbraw/zinc/97/50/25/969975025.db2.gz CDZRHFOOSRNVGO-UHFFFAOYSA-N 0 2 406.099 3.716 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3cccc(Oc4cnccn4)c3)cc2[nH]c1=S ZINC000137510679 969980172 /nfs/dbraw/zinc/98/01/72/969980172.db2.gz MBABYVNAQJJOQG-UHFFFAOYSA-N 0 2 419.466 3.914 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](C)C[C@@H](C)C1 ZINC000138176808 969983750 /nfs/dbraw/zinc/98/37/50/969983750.db2.gz OHORQZXEQRMVQE-HUUCEWRRSA-N 0 2 419.503 3.887 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N[C@@H](c3nccs3)c3ccccc3)cc2[nH]c1=S ZINC000216858905 970081612 /nfs/dbraw/zinc/08/16/12/970081612.db2.gz ADMVFNYTJSOZOI-QGZVFWFLSA-N 0 2 422.535 3.681 20 0 HHADLN Cc1ccc2[nH]c(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2c1 ZINC000223559248 970105150 /nfs/dbraw/zinc/10/51/50/970105150.db2.gz JVTGTDZMJYKDEZ-UHFFFAOYSA-N 0 2 412.496 3.986 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(Br)s2)cnc1Br ZINC000228524099 970125031 /nfs/dbraw/zinc/12/50/31/970125031.db2.gz DRBHIYZGFSWYHA-UHFFFAOYSA-N 0 2 412.128 3.777 20 0 HHADLN O=C(OCc1ccc(F)cc1)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000144312940 970228249 /nfs/dbraw/zinc/22/82/49/970228249.db2.gz HQCODBGQNASXBR-UHFFFAOYSA-N 0 2 407.444 3.751 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CC[C@H](c2ccccc2)C1 ZINC000148932736 970375452 /nfs/dbraw/zinc/37/54/52/970375452.db2.gz HCVXYLGPANJKOF-KRWDZBQOSA-N 0 2 413.524 3.574 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCC[C@@H]1c1ccccc1 ZINC000148995473 970378009 /nfs/dbraw/zinc/37/80/09/970378009.db2.gz VSWWCSKZPIVWPT-GOSISDBHSA-N 0 2 413.524 3.921 20 0 HHADLN O=C(NCc1cccc(Cl)c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000149014213 970378669 /nfs/dbraw/zinc/37/86/69/970378669.db2.gz MSSAUUIXPZVNDC-UHFFFAOYSA-N 0 2 407.904 3.527 20 0 HHADLN CCn1cc(NS(=O)(=O)c2cc(Br)c(C)cc2Br)cn1 ZINC000161671515 970446301 /nfs/dbraw/zinc/44/63/01/970446301.db2.gz ZNZLBHQTQGCPKN-UHFFFAOYSA-N 0 2 423.130 3.537 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccnc2ccccc21 ZINC000169341779 970465987 /nfs/dbraw/zinc/46/59/87/970465987.db2.gz YBOICQPIEWXKJU-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2cccc(C(=O)N(C)CC)c2)c1C(C)C ZINC000554686374 1014013167 /nfs/dbraw/zinc/01/31/67/1014013167.db2.gz GZVWHGVCNKCALH-UHFFFAOYSA-N 0 2 406.552 3.699 20 0 HHADLN C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1nc(-c2ccccc2)oc1C1CC1 ZINC000261394375 970647677 /nfs/dbraw/zinc/64/76/77/970647677.db2.gz UHJFVZUWKJRPEE-ZDUSSCGKSA-N 0 2 409.417 3.587 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ncc1Br ZINC000316707707 972651896 /nfs/dbraw/zinc/65/18/96/972651896.db2.gz IAVKBKHYHBQJHW-UHFFFAOYSA-N 0 2 406.645 3.515 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1OC ZINC000322803903 972703516 /nfs/dbraw/zinc/70/35/16/972703516.db2.gz VUMMLMCPNVXGGT-UHFFFAOYSA-N 0 2 404.257 3.796 20 0 HHADLN O=S(=O)(Nc1cccc2cc(Br)cnc21)c1cnc(Cl)c(F)c1 ZINC000324542492 972722123 /nfs/dbraw/zinc/72/21/23/972722123.db2.gz OHYMWUDNLQKPML-UHFFFAOYSA-N 0 2 416.659 3.986 20 0 HHADLN CCOC(=O)Cc1csc(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)n1 ZINC000327270034 972757053 /nfs/dbraw/zinc/75/70/53/972757053.db2.gz GDAREUKWGWCJOQ-UHFFFAOYSA-N 0 2 423.343 3.973 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C ZINC000328127270 972766285 /nfs/dbraw/zinc/76/62/85/972766285.db2.gz YSSFOFCDPZWAFS-UHFFFAOYSA-N 0 2 404.853 3.514 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cncc(Br)c2)c(Br)c1 ZINC000387827167 972802330 /nfs/dbraw/zinc/80/23/30/972802330.db2.gz QQPNECJFJVCURQ-UHFFFAOYSA-N 0 2 406.099 3.716 20 0 HHADLN O=S(=O)(Nc1ccc2c(c1)NCCC2)c1c(F)cc(F)cc1Br ZINC000389967167 972818973 /nfs/dbraw/zinc/81/89/73/972818973.db2.gz QTFASWMGYIXZMV-UHFFFAOYSA-N 0 2 403.248 3.886 20 0 HHADLN CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000391440249 972840597 /nfs/dbraw/zinc/84/05/97/972840597.db2.gz RKWVVXSVWMQACN-UHFFFAOYSA-N 0 2 401.257 3.656 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cccc3c2OCCO3)sc1Cc1ccc(F)cc1 ZINC000409517548 972971983 /nfs/dbraw/zinc/97/19/83/972971983.db2.gz BLAKMOHAWUKSMC-UHFFFAOYSA-N 0 2 420.487 3.753 20 0 HHADLN CC[C@H]1CCc2nc(NS(=O)(=O)c3cc(OC)c(OC)cc3F)sc2C1 ZINC000409531756 972987734 /nfs/dbraw/zinc/98/77/34/972987734.db2.gz AILCHAWBSIDGGB-JTQLQIEISA-N 0 2 400.497 3.615 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cccc3c2OCCO3)sc1Cc1ccccc1F ZINC000409532153 972988544 /nfs/dbraw/zinc/98/85/44/972988544.db2.gz CQFMNCKBFDQHGB-UHFFFAOYSA-N 0 2 420.487 3.753 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000409533693 972989540 /nfs/dbraw/zinc/98/95/40/972989540.db2.gz HCIPYRDTGDSOFR-UHFFFAOYSA-N 0 2 424.450 3.600 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)cc1 ZINC000409538784 972995193 /nfs/dbraw/zinc/99/51/93/972995193.db2.gz XJNLWKGEJQCWCT-UHFFFAOYSA-N 0 2 416.524 3.938 20 0 HHADLN COc1cc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)ccc1C ZINC000409543420 973000412 /nfs/dbraw/zinc/00/04/12/973000412.db2.gz MGAHGIMFFCPXNV-UHFFFAOYSA-N 0 2 405.227 3.943 20 0 HHADLN O=C(CCc1ccccc1O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000409544427 973001471 /nfs/dbraw/zinc/00/14/71/973001471.db2.gz RWCXAACWGSFEKB-UHFFFAOYSA-N 0 2 405.227 3.650 20 0 HHADLN COc1cc(CC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)ccc1C ZINC000409544517 973001653 /nfs/dbraw/zinc/00/16/53/973001653.db2.gz LOIYTEFOKOKQJD-UHFFFAOYSA-N 0 2 419.254 3.872 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3ccc(F)cc3F)s2)c1 ZINC000409663737 973119562 /nfs/dbraw/zinc/11/95/62/973119562.db2.gz BYZDBBULDXXPGZ-UHFFFAOYSA-N 0 2 424.450 3.600 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3cc(F)ccc3F)s2)c1 ZINC000409665091 973122369 /nfs/dbraw/zinc/12/23/69/973122369.db2.gz JALFUVJDRHONOO-UHFFFAOYSA-N 0 2 424.450 3.600 20 0 HHADLN O=C(CCCNC(=O)[C@H]1CC=CCC1)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000409922307 973383544 /nfs/dbraw/zinc/38/35/44/973383544.db2.gz LVTDUZIQCXQTPZ-LBPRGKRZSA-N 0 2 422.316 3.970 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3cc(C)nn3-c3ccccn3)c2)n1 ZINC000410336321 973917303 /nfs/dbraw/zinc/91/73/03/973917303.db2.gz BPEVILWVVKBOOZ-UHFFFAOYSA-N 0 2 411.512 3.808 20 0 HHADLN COc1c(C)cc(S(=O)(=O)Nc2cc3ccc(Br)cn3n2)cc1C ZINC000410349288 973936986 /nfs/dbraw/zinc/93/69/86/973936986.db2.gz AUNMOYVTSSNWGV-UHFFFAOYSA-N 0 2 410.293 3.523 20 0 HHADLN O=C1CCOc2c(NS(=O)(=O)c3ccc(Cl)cc3Br)cccc21 ZINC000410394751 973992769 /nfs/dbraw/zinc/99/27/69/973992769.db2.gz FBFUXTLGPVDLJB-UHFFFAOYSA-N 0 2 416.680 3.869 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccnc2-c2ccc(C)s2)cc1OC ZINC000410399831 973999215 /nfs/dbraw/zinc/99/92/15/973999215.db2.gz QNDFFRBHFWVUGR-UHFFFAOYSA-N 0 2 418.496 3.715 20 0 HHADLN CCn1ncc(NS(=O)(=O)c2ccc(C)c(Br)c2)c1C(F)(F)F ZINC000410407855 974007393 /nfs/dbraw/zinc/00/73/93/974007393.db2.gz QCFDDQNVZVVADG-UHFFFAOYSA-N 0 2 412.231 3.794 20 0 HHADLN CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000426012325 974130207 /nfs/dbraw/zinc/13/02/07/974130207.db2.gz CWZHTEVZZMXEFL-UHFFFAOYSA-N 0 2 416.421 3.607 20 0 HHADLN Cc1ccc([C@H]2C[C@H](C)N(C(=O)NCc3nnc(COc4ccccc4)[nH]3)C2)cc1 ZINC000426236695 974333508 /nfs/dbraw/zinc/33/35/08/974333508.db2.gz IDJFAHZSQXAAAN-HKUYNNGSSA-N 0 2 405.502 3.780 20 0 HHADLN COc1cc(OC)c(OC)cc1C[NH2+][C@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000426752967 974636370 /nfs/dbraw/zinc/63/63/70/974636370.db2.gz BPQHPHQATVUSTC-KRWDZBQOSA-N 0 2 400.258 3.935 20 0 HHADLN Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C(=O)[O-])c1cccs1 ZINC000426818000 974683344 /nfs/dbraw/zinc/68/33/44/974683344.db2.gz QSEURJCHQGDDRW-INIZCTEOSA-N 0 2 406.305 3.920 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N(Cc1cccs1)C[C@@H]1CCCO1 ZINC000426993473 974805962 /nfs/dbraw/zinc/80/59/62/974805962.db2.gz WFQUMNGBXYCAHM-INIZCTEOSA-N 0 2 401.463 3.600 20 0 HHADLN Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427122345 974921387 /nfs/dbraw/zinc/92/13/87/974921387.db2.gz QRGWLGHBVVYASB-UHFFFAOYSA-N 0 2 420.384 3.535 20 0 HHADLN Cc1nc(-c2cccc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3F)c2)no1 ZINC000427212880 974982335 /nfs/dbraw/zinc/98/23/35/974982335.db2.gz NUQYNRPSAPAWKB-UHFFFAOYSA-N 0 2 417.340 3.884 20 0 HHADLN CCNC(=O)Nc1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 ZINC000427218893 974985788 /nfs/dbraw/zinc/98/57/88/974985788.db2.gz WHVIZHZAVDNYBH-UHFFFAOYSA-N 0 2 421.372 3.667 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1C(=O)N(C)C ZINC000427247807 975003599 /nfs/dbraw/zinc/00/35/99/975003599.db2.gz COARARCNQQPDAF-UHFFFAOYSA-N 0 2 420.384 3.535 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1cn[nH]c1)c1cccc(OC(F)(F)F)c1F ZINC000427317990 975048148 /nfs/dbraw/zinc/04/81/48/975048148.db2.gz ZPXCYFCTKYUMGS-UHFFFAOYSA-N 0 2 401.341 3.915 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ncsc2C(C)C)cc1I ZINC000427331038 975057765 /nfs/dbraw/zinc/05/77/65/975057765.db2.gz NMWGGHUQGNJRQV-UHFFFAOYSA-N 0 2 422.313 3.980 20 0 HHADLN O=C(Nc1cccc(Cl)c1O)[C@@H]1CC[C@@H](C(=O)Nc2cccc(Cl)c2O)O1 ZINC000427633444 975217553 /nfs/dbraw/zinc/21/75/53/975217553.db2.gz JHFAXDNNOIEFJI-KBPBESRZSA-N 0 2 411.241 3.529 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(Br)ccc2F)cc2cccnc21 ZINC000427641416 975220795 /nfs/dbraw/zinc/22/07/95/975220795.db2.gz HATOEWULPNSDFV-UHFFFAOYSA-N 0 2 411.252 3.946 20 0 HHADLN CCOC(=O)c1csc(NS(=O)(=O)c2csc3ccc(Cl)cc23)n1 ZINC000427653277 975225607 /nfs/dbraw/zinc/22/56/07/975225607.db2.gz YKKVATDNVAWRDI-UHFFFAOYSA-N 0 2 402.906 3.989 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(-c3ccc(C)cc3)nn2-c2ccccc2)cnn1C ZINC000427770331 975279426 /nfs/dbraw/zinc/27/94/26/975279426.db2.gz XVQDVDMHTZIDJA-UHFFFAOYSA-N 0 2 407.499 3.690 20 0 HHADLN COc1cc(S(=O)(=O)Nc2nc(C(C)(C)C)co2)c(OC)cc1Br ZINC000427772959 975280426 /nfs/dbraw/zinc/28/04/26/975280426.db2.gz XLROKYXGMLUADO-UHFFFAOYSA-N 0 2 419.297 3.553 20 0 HHADLN COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccc3c(Cl)cccc3n2)c1 ZINC000427782066 975285040 /nfs/dbraw/zinc/28/50/40/975285040.db2.gz JUPVPCURXZODNH-UHFFFAOYSA-N 0 2 420.874 3.622 20 0 HHADLN Cc1nc2ccc(S(=O)(=O)Nc3nnc(Cc4ccc(F)cc4)o3)cc2s1 ZINC000427791156 975290485 /nfs/dbraw/zinc/29/04/85/975290485.db2.gz VQBWKAZEOQSHJI-UHFFFAOYSA-N 0 2 404.448 3.518 20 0 HHADLN O=S(=O)(Nc1cccc(-n2ccnc2)c1)c1cccc(OC(F)(F)F)c1F ZINC000427793504 975291919 /nfs/dbraw/zinc/29/19/19/975291919.db2.gz OMWWMYHXLLYLLS-UHFFFAOYSA-N 0 2 401.341 3.711 20 0 HHADLN CCOC(=O)c1cc(COC)cc(S(=O)(=O)Nc2nc(C3CCC3)cs2)c1 ZINC000427797265 975294108 /nfs/dbraw/zinc/29/41/08/975294108.db2.gz KOFVBGJQDGZMNO-UHFFFAOYSA-N 0 2 410.517 3.535 20 0 HHADLN CCOC(=O)C(=C(O)Cn1c2ccccc2nc1C(F)(F)F)c1nc(C)cs1 ZINC000428648092 975948956 /nfs/dbraw/zinc/94/89/56/975948956.db2.gz KRLGRVZIXFASGE-AWEZNQCLSA-N 0 2 411.405 3.736 20 0 HHADLN COc1ccccc1-c1n[nH]c(NC(=O)c2cc(Br)c(F)cc2F)n1 ZINC000429591262 976869010 /nfs/dbraw/zinc/86/90/10/976869010.db2.gz JCNADDFHIMMSFL-UHFFFAOYSA-N 0 2 409.190 3.773 20 0 HHADLN Cn1ncc2c1CCC[C@H]2NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430441797 977552400 /nfs/dbraw/zinc/55/24/00/977552400.db2.gz VFKDACWUPJXSID-OAQYLSRUSA-N 0 2 414.465 3.861 20 0 HHADLN C[C@H](NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)C(=O)OC(C)(C)C ZINC000430549881 977626377 /nfs/dbraw/zinc/62/63/77/977626377.db2.gz YDYOUDGQXFDQKL-AWEZNQCLSA-N 0 2 408.454 3.780 20 0 HHADLN O=C(N[C@H](CO)c1ccc(F)cc1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430563202 977632533 /nfs/dbraw/zinc/63/25/33/977632533.db2.gz IKHYLCGFLCRHLX-JOCHJYFZSA-N 0 2 418.424 3.923 20 0 HHADLN CC(C)c1nnc(CNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)n1C ZINC000430564537 977633857 /nfs/dbraw/zinc/63/38/57/977633857.db2.gz LTDLJKQPHGVFKE-UHFFFAOYSA-N 0 2 417.469 3.502 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000430781192 977754044 /nfs/dbraw/zinc/75/40/44/977754044.db2.gz ASKPEHLCPPNAFN-UHFFFAOYSA-N 0 2 417.281 3.767 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2sc(C)cc2C)ccc1Br ZINC000431137012 978041610 /nfs/dbraw/zinc/04/16/10/978041610.db2.gz HICXEPOHLASCOV-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN Cc1cc(C)c(S(=O)(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)s1 ZINC000431151514 978052533 /nfs/dbraw/zinc/05/25/33/978052533.db2.gz SKDIMXXPMICCGU-UHFFFAOYSA-N 0 2 412.492 3.966 20 0 HHADLN Cc1cc(C)c(S(=O)(=O)Nc2cccc(C[S@@](=O)C3CCOCC3)c2)s1 ZINC000431173360 978073463 /nfs/dbraw/zinc/07/34/63/978073463.db2.gz QOPUSTZLLMZYPM-RUZDIDTESA-N 0 2 413.586 3.593 20 0 HHADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)s2)c(C)c1 ZINC000431323763 978208565 /nfs/dbraw/zinc/20/85/65/978208565.db2.gz PSFYZKSOWXYYHO-CYBMUJFWSA-N 0 2 401.513 3.946 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)c(C)c1 ZINC000431332725 978216803 /nfs/dbraw/zinc/21/68/03/978216803.db2.gz NDSGLQISBYIEMD-UHFFFAOYSA-N 0 2 417.512 3.718 20 0 HHADLN N[C@@](C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1)(c1cccc(F)c1)C(F)(F)F ZINC000431753146 978485564 /nfs/dbraw/zinc/48/55/64/978485564.db2.gz VCDZNWBYNXXVSY-MRXNPFEDSA-N 0 2 413.762 3.619 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cnn1-c1ccc(C)cc1 ZINC000431898187 978585532 /nfs/dbraw/zinc/58/55/32/978585532.db2.gz KVSMNSQQXJFWKP-UHFFFAOYSA-N 0 2 412.515 3.892 20 0 HHADLN CC(C)(c1ccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1)C(F)(F)F ZINC000432059063 978664272 /nfs/dbraw/zinc/66/42/72/978664272.db2.gz ABHSFLLUVJVQSE-UHFFFAOYSA-N 0 2 421.462 3.731 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N[C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)s[nH]1 ZINC000432075563 978670200 /nfs/dbraw/zinc/67/02/00/978670200.db2.gz ARUZDXYGCLPXTH-NSHDSACASA-N 0 2 422.860 3.785 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)=N1 ZINC000432328026 978762396 /nfs/dbraw/zinc/76/23/96/978762396.db2.gz JGCVPAROAAGQGI-KRWDZBQOSA-N 0 2 409.417 3.731 20 0 HHADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1cnccc1-c1ccccc1 ZINC000432345358 978769132 /nfs/dbraw/zinc/76/91/32/978769132.db2.gz FMHVIGXOHBFVRL-UHFFFAOYSA-N 0 2 423.494 3.907 20 0 HHADLN O=C1CCCN1c1ccc(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)cc1 ZINC000432350956 978772399 /nfs/dbraw/zinc/77/23/99/978772399.db2.gz HBRNXWHGSOMLLF-UHFFFAOYSA-N 0 2 417.487 3.877 20 0 HHADLN O=c1ccc2cc(S(=O)(=O)Nc3ncc(Cc4cccc(F)c4)s3)ccc2[nH]1 ZINC000432352548 978772965 /nfs/dbraw/zinc/77/29/65/978772965.db2.gz BZRLLPYRKDZDQA-UHFFFAOYSA-N 0 2 415.471 3.515 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)sc1C1CC1 ZINC000432363415 978778813 /nfs/dbraw/zinc/77/88/13/978778813.db2.gz UZSUCDJHYKZCGT-UHFFFAOYSA-N 0 2 400.547 3.967 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ncc(-c4ccc(F)cc4)s3)cc12 ZINC000432369153 978781450 /nfs/dbraw/zinc/78/14/50/978781450.db2.gz PLGRQYRQFGWFST-UHFFFAOYSA-N 0 2 404.448 3.849 20 0 HHADLN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1noc(Cc2ccccc2)n1 ZINC000432948963 979019815 /nfs/dbraw/zinc/01/98/15/979019815.db2.gz KBWIZKHKQCEWMR-UHFFFAOYSA-N 0 2 422.304 3.841 20 0 HHADLN Cn1nc(-c2ccc(F)cc2F)cc1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000432960753 979025103 /nfs/dbraw/zinc/02/51/03/979025103.db2.gz PQKJFWZOYKAYLZ-UHFFFAOYSA-N 0 2 401.797 3.959 20 0 HHADLN Cn1nc(-c2ccc(F)cc2F)cc1NS(=O)(=O)c1ccc2ncsc2c1 ZINC000432962584 979025830 /nfs/dbraw/zinc/02/58/30/979025830.db2.gz XCPCPIGPEMSGOH-UHFFFAOYSA-N 0 2 406.439 3.776 20 0 HHADLN Cn1nc(-c2ccc(F)cc2F)cc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000432965022 979027218 /nfs/dbraw/zinc/02/72/18/979027218.db2.gz DFZPTCDJYXCOLD-UHFFFAOYSA-N 0 2 403.332 3.583 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nc(CN3CCCCC3)cs2)cc1Cl ZINC000432967859 979028377 /nfs/dbraw/zinc/02/83/77/979028377.db2.gz RQUCVMIASXJHFP-UHFFFAOYSA-N 0 2 415.968 3.900 20 0 HHADLN CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)cc1 ZINC000433139876 979094332 /nfs/dbraw/zinc/09/43/32/979094332.db2.gz CXKYTTFIUQYTAK-UHFFFAOYSA-N 0 2 407.904 3.624 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)cc1 ZINC000433143135 979096945 /nfs/dbraw/zinc/09/69/45/979096945.db2.gz XHIHBOCMBOZUDH-UHFFFAOYSA-N 0 2 419.503 3.940 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)c(F)c1Cl ZINC000433464065 979319420 /nfs/dbraw/zinc/31/94/20/979319420.db2.gz VDVYEHLCHDUWMI-WCQYABFASA-N 0 2 418.824 3.550 20 0 HHADLN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1 ZINC000434637821 980312007 /nfs/dbraw/zinc/31/20/07/980312007.db2.gz PCYQCAYFDGTVKY-QGZVFWFLSA-N 0 2 405.516 3.979 20 0 HHADLN CCOC(=O)Cc1csc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)n1 ZINC000435193238 980711221 /nfs/dbraw/zinc/71/12/21/980711221.db2.gz UTIJWPCHHONYKM-UHFFFAOYSA-N 0 2 416.933 3.918 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc3c(c2)ncn3C)cnn1-c1ccc(Cl)cc1 ZINC000435197347 980715202 /nfs/dbraw/zinc/71/52/02/980715202.db2.gz RFDHUHWXAPTTGS-UHFFFAOYSA-N 0 2 401.879 3.522 20 0 HHADLN CC(C)Oc1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1C(N)=O ZINC000435481942 980893375 /nfs/dbraw/zinc/89/33/75/980893375.db2.gz LZSKVHULVNIINH-UHFFFAOYSA-N 0 2 421.277 3.819 20 0 HHADLN NC(=O)CCSc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000436002896 981145680 /nfs/dbraw/zinc/14/56/80/981145680.db2.gz KCYJOHOWGWGEJV-UHFFFAOYSA-N 0 2 422.425 3.613 20 0 HHADLN Cc1nc(C)n(-c2ccccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)n1 ZINC000436011609 981153710 /nfs/dbraw/zinc/15/37/10/981153710.db2.gz CSXLNKASJIYBOI-UHFFFAOYSA-N 0 2 414.384 3.843 20 0 HHADLN O=C1CCCN1c1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000436019664 981159963 /nfs/dbraw/zinc/15/99/63/981159963.db2.gz CFTBCCCMSJIHID-UHFFFAOYSA-N 0 2 402.369 3.772 20 0 HHADLN CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1 ZINC000436023339 981162992 /nfs/dbraw/zinc/16/29/92/981162992.db2.gz VLFYJBMBKCVICF-UHFFFAOYSA-N 0 2 404.385 3.785 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c(OC)c1 ZINC000436160727 981227823 /nfs/dbraw/zinc/22/78/23/981227823.db2.gz JFPLYXHPJLKBMT-UHFFFAOYSA-N 0 2 423.796 3.955 20 0 HHADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000436276849 981281101 /nfs/dbraw/zinc/28/11/01/981281101.db2.gz VNTCHRZXKUCOOR-DAXSKMNVSA-N 0 2 422.916 3.703 20 0 HHADLN O=C(Nc1ccc2n[nH]cc2c1)c1cccc(C(=O)Nc2ccc3n[nH]cc3c2)c1O ZINC000436517542 981412665 /nfs/dbraw/zinc/41/26/65/981412665.db2.gz VAONLWIYZFPQNT-UHFFFAOYSA-N 0 2 412.409 3.649 20 0 HHADLN CC(C)N(Cc1nc(-c2ccc3c(c2)OCO3)c[nH]1)C(=O)c1cc(F)c(O)c(F)c1 ZINC000436522409 981416084 /nfs/dbraw/zinc/41/60/84/981416084.db2.gz LVOHWWYOFZLMSJ-UHFFFAOYSA-N 0 2 415.396 3.840 20 0 HHADLN Cc1cncc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)c1 ZINC000436588084 981461984 /nfs/dbraw/zinc/46/19/84/981461984.db2.gz SCUJNUVUAGPGSZ-UHFFFAOYSA-N 0 2 417.874 3.802 20 0 HHADLN Cc1ncsc1NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000436589465 981462764 /nfs/dbraw/zinc/46/27/64/981462764.db2.gz PREGZPWXNOATFF-UHFFFAOYSA-N 0 2 423.903 3.864 20 0 HHADLN CN(CCCCNC(=O)c1ccc(Cl)cc1O)C(=O)c1ccc(Cl)cc1O ZINC000436603338 981469103 /nfs/dbraw/zinc/46/91/03/981469103.db2.gz HOWQIIRDOIVSLF-UHFFFAOYSA-N 0 2 411.285 3.687 20 0 HHADLN O=C(NCc1cc(Br)ccc1OC(F)F)c1cc(F)c(O)c(F)c1 ZINC000436633758 981484316 /nfs/dbraw/zinc/48/43/16/981484316.db2.gz MAMOAVARGAGQHT-UHFFFAOYSA-N 0 2 408.145 3.964 20 0 HHADLN O=C(NC1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc(F)cc(Cl)c1O ZINC000436632807 981484410 /nfs/dbraw/zinc/48/44/10/981484410.db2.gz CMJQKBSVFMJVQQ-UHFFFAOYSA-N 0 2 417.790 3.997 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000436635311 981485834 /nfs/dbraw/zinc/48/58/34/981485834.db2.gz OYKDOEQBGBUZSB-UHFFFAOYSA-N 0 2 402.813 3.650 20 0 HHADLN C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1O)c1nc(C(C)(C)C)no1 ZINC000436639430 981488462 /nfs/dbraw/zinc/48/84/62/981488462.db2.gz PAWJUYPCUOHZQV-SSDOTTSWSA-N 0 2 402.676 3.980 20 0 HHADLN C[C@@H](NC(=O)c1cc(F)cc(Br)c1O)[C@@H]1OCCc2sccc21 ZINC000436686181 981512549 /nfs/dbraw/zinc/51/25/49/981512549.db2.gz GCJQZHURCWVDKR-GLEZIHRCSA-N 0 2 400.269 3.788 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000436720006 981529539 /nfs/dbraw/zinc/52/95/39/981529539.db2.gz FAERSVHWESQDCM-OAHLLOKOSA-N 0 2 412.667 3.727 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCC[C@](CO)(c2ccccc2)C1 ZINC000436738312 981539090 /nfs/dbraw/zinc/53/90/90/981539090.db2.gz SQKJZEFUVMWIDC-IBGZPJMESA-N 0 2 424.722 3.974 20 0 HHADLN CC[C@H]1CC[C@@H](C)N1C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O ZINC000436749413 981544585 /nfs/dbraw/zinc/54/45/85/981544585.db2.gz YSCFCUUDYGNGLC-CABCVRRESA-N 0 2 418.515 3.605 20 0 HHADLN COc1cc(N[C@H]2CCCN(C(=O)c3cc(F)cc(Cl)c3O)C2)cc(OC)c1 ZINC000436797006 981566314 /nfs/dbraw/zinc/56/63/14/981566314.db2.gz LTNKSAVPZSCOTB-ZDUSSCGKSA-N 0 2 408.857 3.919 20 0 HHADLN CC[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2O)CCN1CC(F)F ZINC000436835394 981582202 /nfs/dbraw/zinc/58/22/02/981582202.db2.gz DKPXNGBZXKCLHE-SNVBAGLBSA-N 0 2 411.674 3.610 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000436859205 981595370 /nfs/dbraw/zinc/59/53/70/981595370.db2.gz RWCHPZNGWPZQIV-HNNXBMFYSA-N 0 2 416.193 3.786 20 0 HHADLN CC(C)(CNC(=O)c1ccc(O)c(Cl)c1)CNC(=O)c1ccc(O)c(Cl)c1 ZINC000436875252 981598704 /nfs/dbraw/zinc/59/87/04/981598704.db2.gz UGUJIELBQWMUTP-UHFFFAOYSA-N 0 2 411.285 3.591 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000436893210 981604028 /nfs/dbraw/zinc/60/40/28/981604028.db2.gz ONYIBIHVQCEUHB-AWEZNQCLSA-N 0 2 408.223 4.000 20 0 HHADLN O=S(=O)(Nc1ccccc1Cl)c1ccc(O)c(-c2nc([C@@H]3CCCO3)no2)c1 ZINC000436934964 981633105 /nfs/dbraw/zinc/63/31/05/981633105.db2.gz ISQOVYIUWPTTBI-INIZCTEOSA-N 0 2 421.862 3.748 20 0 HHADLN CCS[C@H](C)c1noc(-c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)n1 ZINC000436941532 981636284 /nfs/dbraw/zinc/63/62/84/981636284.db2.gz CURBOYXIIICRIN-CYBMUJFWSA-N 0 2 419.528 3.735 20 0 HHADLN C[C@@H](Cc1noc(-c2cc(S(=O)(=O)N3CCCC3)ccc2O)n1)c1ccccc1 ZINC000436950065 981640714 /nfs/dbraw/zinc/64/07/14/981640714.db2.gz XZYOGWLJCFYGFA-HNNXBMFYSA-N 0 2 413.499 3.573 20 0 HHADLN O=C(c1cc(-c2ccccc2)cc(Cl)c1O)N1CCN(c2ncc(F)cn2)CC1 ZINC000436961871 981649423 /nfs/dbraw/zinc/64/94/23/981649423.db2.gz VLNCKEDFGXPOTC-UHFFFAOYSA-N 0 2 412.852 3.604 20 0 HHADLN O=C(N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)C(=O)c1ccc(O)cc1 ZINC000437006506 981681762 /nfs/dbraw/zinc/68/17/62/981681762.db2.gz XYJFOZLUEWAEDJ-UHFFFAOYSA-N 0 2 417.446 3.946 20 0 HHADLN O=C(N=c1ccc(-c2ccccc2)n[nH]1)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000448354489 981719358 /nfs/dbraw/zinc/71/93/58/981719358.db2.gz KJLKMPGMWSVQIS-QFIPXVFZSA-N 0 2 413.481 3.545 20 0 HHADLN CC(C)Cc1nnc(NS(=O)(=O)c2cc(Br)ccc2Cl)s1 ZINC000437169227 981822580 /nfs/dbraw/zinc/82/25/80/981822580.db2.gz SOLGJPDYYLWBRM-UHFFFAOYSA-N 0 2 410.746 3.953 20 0 HHADLN CCCCCc1nnc(NS(=O)(=O)c2cc(Br)ccc2OC)s1 ZINC000437169742 981823508 /nfs/dbraw/zinc/82/35/08/981823508.db2.gz UOOSMUVBERLZOK-UHFFFAOYSA-N 0 2 420.354 3.843 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc2ncccc2c1 ZINC000437184252 981840436 /nfs/dbraw/zinc/84/04/36/981840436.db2.gz OBMVQIVGKLASRD-UHFFFAOYSA-N 0 2 400.460 3.617 20 0 HHADLN CCCOc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)s2)cc1 ZINC000437189226 981844798 /nfs/dbraw/zinc/84/47/98/981844798.db2.gz KTMGZKIMWUDWTQ-UHFFFAOYSA-N 0 2 407.492 3.858 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000460125395 981900312 /nfs/dbraw/zinc/90/03/12/981900312.db2.gz WRNOSXPYUBZUGG-UHFFFAOYSA-N 0 2 405.936 3.696 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)c1C ZINC000437306985 981958123 /nfs/dbraw/zinc/95/81/23/981958123.db2.gz QTQMNJQCNXEYCF-UHFFFAOYSA-N 0 2 408.524 3.815 20 0 HHADLN Cc1c(F)cccc1S(=O)(=O)Nc1ccnn1Cc1ccccc1Br ZINC000437324092 981974842 /nfs/dbraw/zinc/97/48/42/981974842.db2.gz PHFAIYZZENWAPB-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)c1 ZINC000437331247 981982523 /nfs/dbraw/zinc/98/25/23/981982523.db2.gz HSUKVQVCHURYMG-UHFFFAOYSA-N 0 2 417.874 3.797 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(CC(C)(C)C)nn2C)cnn1-c1ccc(Cl)cc1 ZINC000437395830 982040028 /nfs/dbraw/zinc/04/00/28/982040028.db2.gz PVGQMJAOJDRNRD-UHFFFAOYSA-N 0 2 421.954 3.957 20 0 HHADLN CC(C)CC(=O)Nc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1 ZINC000460430368 982218908 /nfs/dbraw/zinc/21/89/08/982218908.db2.gz WMUNWERPEKRHQN-UHFFFAOYSA-N 0 2 416.478 3.797 20 0 HHADLN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccnc2-c2csc(C)c2)cc1 ZINC000437676651 982291266 /nfs/dbraw/zinc/29/12/66/982291266.db2.gz UTXNZRRPWNCCDP-UHFFFAOYSA-N 0 2 422.553 3.713 20 0 HHADLN O=S(=O)(Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1)c1cnc2n1CCC2 ZINC000437682421 982295071 /nfs/dbraw/zinc/29/50/71/982295071.db2.gz ULAHYJSSMMBMGX-UHFFFAOYSA-N 0 2 424.404 3.836 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2c(C)cccc2F)nc1C(F)(F)F ZINC000460525939 982312739 /nfs/dbraw/zinc/31/27/39/982312739.db2.gz PDOFUAYSMWPITI-UHFFFAOYSA-N 0 2 412.386 3.587 20 0 HHADLN Cc1nc2ccc(S(=O)(=O)Nc3nnc(-c4ccc(F)c(F)c4)o3)cc2s1 ZINC000460544084 982331376 /nfs/dbraw/zinc/33/13/76/982331376.db2.gz ODSIGYRSTJQJFJ-UHFFFAOYSA-N 0 2 408.411 3.734 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)c(F)c2)o1)c1ccc(F)c(C(F)(F)F)c1 ZINC000460548356 982334328 /nfs/dbraw/zinc/33/43/28/982334328.db2.gz TYPMNOUVLAVACW-UHFFFAOYSA-N 0 2 423.294 3.974 20 0 HHADLN COc1cc(NS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)ccn1 ZINC000460617068 982394469 /nfs/dbraw/zinc/39/44/69/982394469.db2.gz YUVWZJLHDBRZNM-UHFFFAOYSA-N 0 2 412.092 3.960 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(-c3ncon3)cc2)cnn1-c1ccc(Cl)cc1 ZINC000460827823 982578984 /nfs/dbraw/zinc/57/89/84/982578984.db2.gz IFZLJRIQOVZOQR-UHFFFAOYSA-N 0 2 415.862 3.685 20 0 HHADLN CCOC(=O)c1ccc(F)c(C)c1NS(=O)(=O)c1ccccc1Br ZINC000461128614 982828861 /nfs/dbraw/zinc/82/88/61/982828861.db2.gz MLWBNZKPRUIMFE-UHFFFAOYSA-N 0 2 416.268 3.874 20 0 HHADLN O=C(Nc1ccsc1Cl)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O ZINC000438563678 982904073 /nfs/dbraw/zinc/90/40/73/982904073.db2.gz VGGCZGKRUDOKNA-UHFFFAOYSA-N 0 2 422.915 3.838 20 0 HHADLN COc1cc(OC)cc(-c2cccc(NS(=O)(=O)c3ccc4c(c3)COC4)n2)c1 ZINC000461210237 982924203 /nfs/dbraw/zinc/92/42/03/982924203.db2.gz PQGJYJKMGCIGNR-UHFFFAOYSA-N 0 2 412.467 3.597 20 0 HHADLN Cc1c2ccc(NS(=O)(=O)c3cnn(-c4ccc(Cl)cc4)c3C)cc2nn1C ZINC000461334572 983024545 /nfs/dbraw/zinc/02/45/45/983024545.db2.gz QSICATJXZLKZJC-UHFFFAOYSA-N 0 2 415.906 3.830 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000438726157 983027518 /nfs/dbraw/zinc/02/75/18/983027518.db2.gz PQLDDSZZHGZIAH-UHFFFAOYSA-N 0 2 402.403 3.600 20 0 HHADLN Cn1cc(NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)c(C2CC2)n1 ZINC000461343937 983029651 /nfs/dbraw/zinc/02/96/51/983029651.db2.gz ZBDRFWNCWFVIFL-UHFFFAOYSA-N 0 2 407.442 3.895 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cnc(-c3cccc(O)c3)nc2)cc1Br ZINC000438771114 983060649 /nfs/dbraw/zinc/06/06/49/983060649.db2.gz AYGKCCCFJXJLBT-UHFFFAOYSA-N 0 2 420.288 3.721 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(CC(F)(F)F)cc2)cn1 ZINC000438779126 983065899 /nfs/dbraw/zinc/06/58/99/983065899.db2.gz SPPOPLVEBSYYML-UHFFFAOYSA-N 0 2 411.405 3.787 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cccc(COC(C)C)c2)cn1 ZINC000438813792 983088120 /nfs/dbraw/zinc/08/81/20/983088120.db2.gz ZJNNUFJOENCOMX-UHFFFAOYSA-N 0 2 401.488 3.607 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N(C)CC(=O)Nc3cccc(F)c3)=N2)cc1 ZINC000438878352 983136178 /nfs/dbraw/zinc/13/61/78/983136178.db2.gz XDPTWWFAPUCMBC-UHFFFAOYSA-N 0 2 410.449 3.551 20 0 HHADLN CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000438892444 983140091 /nfs/dbraw/zinc/14/00/91/983140091.db2.gz CLSWTAFGDDDFHN-CMPLNLGQSA-N 0 2 417.731 3.621 20 0 HHADLN CCOC(=O)c1nc(NS(=O)(=O)c2ccccc2C(C)(C)C)sc1C(C)=O ZINC000438989086 983197170 /nfs/dbraw/zinc/19/71/70/983197170.db2.gz DSGKZGKAGAOPJW-UHFFFAOYSA-N 0 2 410.517 3.621 20 0 HHADLN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000439127863 983263932 /nfs/dbraw/zinc/26/39/32/983263932.db2.gz CCNWKPPPTJGEDO-AUWXTCHYSA-N 0 2 408.745 3.618 20 0 HHADLN Cn1c2ccccc2nc1[C@H](NC(=O)C1=NN(c2ccccc2)CC1=O)c1ccccc1 ZINC000439185463 983297363 /nfs/dbraw/zinc/29/73/63/983297363.db2.gz JDRVYEHZXYNLLL-JOCHJYFZSA-N 0 2 423.476 3.984 20 0 HHADLN O=C(COCCc1ccccc1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439242798 983327865 /nfs/dbraw/zinc/32/78/65/983327865.db2.gz ATIPRCCDZVAGON-UHFFFAOYSA-N 0 2 419.254 3.571 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC(c4nncn4C4CC4)CC3)=N2)cc1 ZINC000439248209 983330595 /nfs/dbraw/zinc/33/05/95/983330595.db2.gz PDGUQOSGMSPQJW-UHFFFAOYSA-N 0 2 420.517 3.648 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c(F)cc1F ZINC000440089793 983640072 /nfs/dbraw/zinc/64/00/72/983640072.db2.gz FLMTVRXABYRFLE-UHFFFAOYSA-N 0 2 406.376 3.952 20 0 HHADLN Cc1c(NS(=O)(=O)c2cc(Br)ccc2F)cnn1CCC(C)C ZINC000440835240 983929743 /nfs/dbraw/zinc/92/97/43/983929743.db2.gz URFWLCLZGKAGSV-UHFFFAOYSA-N 0 2 404.305 3.940 20 0 HHADLN O=S(=O)(Nc1ccc(CCC(F)(F)F)cc1)c1cnn(C2CCOCC2)c1 ZINC000440837549 983931042 /nfs/dbraw/zinc/93/10/42/983931042.db2.gz ZAJNBWNURVFXLG-UHFFFAOYSA-N 0 2 403.426 3.530 20 0 HHADLN CCc1nc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)sc1C(=O)OC ZINC000441359243 984207205 /nfs/dbraw/zinc/20/72/05/984207205.db2.gz QUOKDTCHQJGAFR-UHFFFAOYSA-N 0 2 409.316 3.908 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3ccccc3C)nn2C)cc1Cl ZINC000441372087 984214733 /nfs/dbraw/zinc/21/47/33/984214733.db2.gz BCARENQHGVSDMX-UHFFFAOYSA-N 0 2 419.890 3.636 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1Cl ZINC000441377787 984219098 /nfs/dbraw/zinc/21/90/98/984219098.db2.gz BDUVVUGPCYWOKH-UHFFFAOYSA-N 0 2 419.890 3.730 20 0 HHADLN CCC(C)(C)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000441561604 984323584 /nfs/dbraw/zinc/32/35/84/984323584.db2.gz DCUSTQMURMLBMA-INIZCTEOSA-N 0 2 407.561 3.985 20 0 HHADLN C[C@@H](CCC(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1ccccc1 ZINC000441816123 984472820 /nfs/dbraw/zinc/47/28/20/984472820.db2.gz YNLVVEILMVDCQJ-AWEZNQCLSA-N 0 2 416.528 3.861 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000442245971 984767700 /nfs/dbraw/zinc/76/77/00/984767700.db2.gz YVZQOSZODXNDBF-UHFFFAOYSA-N 0 2 420.231 3.705 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)cnn1-c1ccccn1 ZINC000462078424 985049855 /nfs/dbraw/zinc/04/98/55/985049855.db2.gz YOFRDMKPGZPMHN-UHFFFAOYSA-N 0 2 411.487 3.815 20 0 HHADLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)sc2C1 ZINC000442616232 985094141 /nfs/dbraw/zinc/09/41/41/985094141.db2.gz ATCXTRFGEGSLPD-ZDUSSCGKSA-N 0 2 407.561 3.551 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)c2ccc(F)c(F)c2)c(F)c1Cl ZINC000462142332 985112941 /nfs/dbraw/zinc/11/29/41/985112941.db2.gz UQEGTFDHMSQUBL-SSDOTTSWSA-N 0 2 424.803 3.894 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc(NC(=O)C(C)C)ccc1C ZINC000442815669 985225234 /nfs/dbraw/zinc/22/52/34/985225234.db2.gz CMOVUHATVKKRAK-UHFFFAOYSA-N 0 2 410.517 3.547 20 0 HHADLN CC[C@]1(C)Oc2ccc(NS(=O)(=O)c3cnn(-c4ccccc4OC)c3)cc2O1 ZINC000442842565 985241220 /nfs/dbraw/zinc/24/12/20/985241220.db2.gz QHPQBGIBASXYPL-HXUWFJFHSA-N 0 2 415.471 3.579 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)cc1-c1ccccc1)c1cnn([C@H]2CCOC2)c1 ZINC000442843710 985242130 /nfs/dbraw/zinc/24/21/30/985242130.db2.gz TYZOQCZGHGQKGN-INIZCTEOSA-N 0 2 403.891 3.966 20 0 HHADLN CCc1cc(=O)[nH]c(-c2cccc(NS(=O)(=O)c3cnccc3C(F)(F)F)c2)n1 ZINC000442844413 985243015 /nfs/dbraw/zinc/24/30/15/985243015.db2.gz RSNMGVZVZULQQR-UHFFFAOYSA-N 0 2 424.404 3.626 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cc(-c3ccncc3)nn2C)c2ccccc12 ZINC000462382195 985365692 /nfs/dbraw/zinc/36/56/92/985365692.db2.gz XAJFQCFJSVTXTD-UHFFFAOYSA-N 0 2 408.483 3.835 20 0 HHADLN O=S(=O)(Nc1nnc(CC2CCCCC2)s1)c1cnccc1C(F)(F)F ZINC000443136463 985399196 /nfs/dbraw/zinc/39/91/96/985399196.db2.gz SVBCASUMEVMWEI-UHFFFAOYSA-N 0 2 406.455 3.876 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2C[C@@H]2C2CCCCC2)c(F)c1Cl ZINC000462482881 985438695 /nfs/dbraw/zinc/43/86/95/985438695.db2.gz BUELPYPCMALZFW-DGCLKSJQSA-N 0 2 406.882 3.824 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)c2ccccc2C)c(F)c1Cl ZINC000462489724 985443474 /nfs/dbraw/zinc/44/34/74/985443474.db2.gz ZLMLOXFIISAVLI-SNVBAGLBSA-N 0 2 402.850 3.925 20 0 HHADLN CC1(C)Cc2cccc(S(=O)(=O)Nc3ccccc3-c3n[nH]c(C4CC4)n3)c2O1 ZINC000443410602 985566848 /nfs/dbraw/zinc/56/68/48/985566848.db2.gz NZBVUZPFDILQJY-UHFFFAOYSA-N 0 2 410.499 3.863 20 0 HHADLN O=S(=O)(Nc1nc2c(ccc(Cl)c2Cl)s1)c1cnn([C@@H]2CCOC2)c1 ZINC000443415525 985572100 /nfs/dbraw/zinc/57/21/00/985572100.db2.gz LCMBHEDWHCOROE-MRVPVSSYSA-N 0 2 419.315 3.562 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)nc1C ZINC000443419769 985576825 /nfs/dbraw/zinc/57/68/25/985576825.db2.gz SFOGYMGPUWNLEC-UHFFFAOYSA-N 0 2 414.814 3.711 20 0 HHADLN COc1cc(NS(=O)(=O)c2ccc(Br)cc2F)c(C)c(OC)c1 ZINC000443421800 985578670 /nfs/dbraw/zinc/57/86/70/985578670.db2.gz ZDJNUDLKPRNGJE-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN COC(=O)c1sccc1NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443454063 985622430 /nfs/dbraw/zinc/62/24/30/985622430.db2.gz NTUCEFOEBWKOMC-UHFFFAOYSA-N 0 2 410.698 3.751 20 0 HHADLN O=S(=O)(Nc1ccc(CCCc2ccccc2)cc1)c1cnn([C@@H]2CCOC2)c1 ZINC000443460485 985632929 /nfs/dbraw/zinc/63/29/29/985632929.db2.gz KVKHQMSAXBAGIA-OAQYLSRUSA-N 0 2 411.527 3.821 20 0 HHADLN Cc1c(COc2ccccc2)cccc1NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000443463270 985637271 /nfs/dbraw/zinc/63/72/71/985637271.db2.gz IMVCZCGMQJFSIP-SFHVURJKSA-N 0 2 413.499 3.533 20 0 HHADLN CN(CCc1cccc(Br)c1)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000462838618 985761030 /nfs/dbraw/zinc/76/10/30/985761030.db2.gz YBLDYFGPMQPJLI-UHFFFAOYSA-N 0 2 418.266 3.794 20 0 HHADLN CCO[C@H](CC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1=CCCC1 ZINC000443588840 985764925 /nfs/dbraw/zinc/76/49/25/985764925.db2.gz JHJVXTBWKKIBGD-QGZVFWFLSA-N 0 2 421.544 3.788 20 0 HHADLN Cc1nc(CCCC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cs1 ZINC000443594785 985770982 /nfs/dbraw/zinc/77/09/82/985770982.db2.gz TYHBZYAUQVKMSH-UHFFFAOYSA-N 0 2 422.557 3.670 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cc2c(s1)CCC2 ZINC000443594586 985771182 /nfs/dbraw/zinc/77/11/82/985771182.db2.gz XJGZLXINGWKURM-UHFFFAOYSA-N 0 2 405.526 3.746 20 0 HHADLN Cc1cccc(N2C(=O)N[C@H](CCC(=O)Nc3cc(Cl)c(O)c(Cl)c3)C2=O)c1 ZINC000463113181 986076897 /nfs/dbraw/zinc/07/68/97/986076897.db2.gz XZJLVSKLGBLVSO-OAHLLOKOSA-N 0 2 422.268 3.851 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1cccc(-n2cncn2)c1 ZINC000463160425 986132522 /nfs/dbraw/zinc/13/25/22/986132522.db2.gz JPDKFHWFJLMEJK-UHFFFAOYSA-N 0 2 400.229 3.612 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1ccc(Br)cn1 ZINC000463170742 986142465 /nfs/dbraw/zinc/14/24/65/986142465.db2.gz LTRBRMGBHWAJBC-UHFFFAOYSA-N 0 2 413.062 4.188 20 0 HHADLN Cc1c(CN2CCSCC2)cccc1NS(=O)(=O)c1cccc2ncccc21 ZINC000444031145 986226412 /nfs/dbraw/zinc/22/64/12/986226412.db2.gz MVTSLECEFLBMCJ-UHFFFAOYSA-N 0 2 413.568 3.893 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OC)cc1OC ZINC000468531901 986237436 /nfs/dbraw/zinc/23/74/36/986237436.db2.gz VMIMTDROTZPXEP-GFCCVEGCSA-N 0 2 415.895 3.572 20 0 HHADLN COc1cc(S(=O)(=O)Nc2nc(C3CC3)cs2)c(OC)cc1Br ZINC000444053763 986252694 /nfs/dbraw/zinc/25/26/94/986252694.db2.gz WHGWOKXFDBCCAR-UHFFFAOYSA-N 0 2 419.322 3.601 20 0 HHADLN Cc1ccc(Cc2nnc(NS(=O)(=O)c3cnc(-c4ccccc4)nc3)s2)cc1 ZINC000444057376 986258234 /nfs/dbraw/zinc/25/82/34/986258234.db2.gz LRKADZSKBWGMOG-UHFFFAOYSA-N 0 2 423.523 3.695 20 0 HHADLN CC[C@@H](CNC(=O)c1cn[nH]c1-c1cnn(C)c1)Cc1cccc(Br)c1 ZINC000444077560 986279425 /nfs/dbraw/zinc/27/94/25/986279425.db2.gz BYHLXPDIHUBTOZ-CYBMUJFWSA-N 0 2 416.323 3.571 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)c(C)cc1Br ZINC000463437259 986413967 /nfs/dbraw/zinc/41/39/67/986413967.db2.gz QSSDMDMYLIMXJJ-UHFFFAOYSA-N 0 2 412.231 3.619 20 0 HHADLN O=C(Nc1cccc2c1OCCC2)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000468719567 986434437 /nfs/dbraw/zinc/43/44/37/986434437.db2.gz ZHRMDYHZNCQEPW-UHFFFAOYSA-N 0 2 415.496 3.521 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C)CCOc2ccccc2Cl)=N1 ZINC000468735402 986449321 /nfs/dbraw/zinc/44/93/21/986449321.db2.gz OAOQNAITVSPMRM-UHFFFAOYSA-N 0 2 403.841 3.830 20 0 HHADLN COCc1csc(NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)n1 ZINC000468850706 986561361 /nfs/dbraw/zinc/56/13/61/986561361.db2.gz GELHTDKVSATJNZ-UHFFFAOYSA-N 0 2 402.925 3.923 20 0 HHADLN CCCc1cnc(NS(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)s1 ZINC000468889216 986595645 /nfs/dbraw/zinc/59/56/45/986595645.db2.gz HIQJWJSOYLBAHU-NSHDSACASA-N 0 2 404.941 3.964 20 0 HHADLN CCc1nc(NS(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)sc1C ZINC000469032652 986741916 /nfs/dbraw/zinc/74/19/16/986741916.db2.gz QBWQSELXGFWNPN-SNVBAGLBSA-N 0 2 404.941 3.882 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cc(CCC(C)C)n[nH]2)ccc1Br ZINC000469077258 986789682 /nfs/dbraw/zinc/78/96/82/986789682.db2.gz UXJOJFAZMYPIIA-UHFFFAOYSA-N 0 2 402.314 3.570 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c2ncccc12 ZINC000463799477 986790723 /nfs/dbraw/zinc/79/07/23/986790723.db2.gz MPDAJVAODLJWST-UHFFFAOYSA-N 0 2 419.846 3.522 20 0 HHADLN Cc1csc(CCC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)n1 ZINC000444799664 986955489 /nfs/dbraw/zinc/95/54/89/986955489.db2.gz IMZUURVIKOHJET-UHFFFAOYSA-N 0 2 410.272 3.710 20 0 HHADLN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)C1 ZINC000463948747 988059438 /nfs/dbraw/zinc/05/94/38/988059438.db2.gz HVUGEXKTTAQNJY-ZDUSSCGKSA-N 0 2 422.938 3.866 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccccc2O[C@H]2CCOC2)c(Cl)c1Cl ZINC000470437217 988408027 /nfs/dbraw/zinc/40/80/27/988408027.db2.gz HPNQHKJVRRKNNR-NSHDSACASA-N 0 2 418.298 3.971 20 0 HHADLN O=S(=O)(Nc1ccccc1O[C@@H]1CCOC1)c1ccc(F)cc1Br ZINC000470450680 988430259 /nfs/dbraw/zinc/43/02/59/988430259.db2.gz AJUFHEILFBXNBY-GFCCVEGCSA-N 0 2 416.268 3.557 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cc(-c3nc(C)co3)ccc2C)cn1 ZINC000470454501 988437293 /nfs/dbraw/zinc/43/72/93/988437293.db2.gz ZYWXIALLLXQEJJ-UHFFFAOYSA-N 0 2 424.482 3.954 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)cc1Br ZINC000470462738 988449833 /nfs/dbraw/zinc/44/98/33/988449833.db2.gz ZRTTXQWEUUSXPE-UHFFFAOYSA-N 0 2 422.304 3.834 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3C)nn2C)cc1OCC ZINC000470791710 988849375 /nfs/dbraw/zinc/84/93/75/988849375.db2.gz IKBSTKGRHNBJNV-UHFFFAOYSA-N 0 2 415.515 3.994 20 0 HHADLN CN(C)c1nc2ccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)cc2o1 ZINC000464903659 989177024 /nfs/dbraw/zinc/17/70/24/989177024.db2.gz FOTMJVDKZOVIGN-UHFFFAOYSA-N 0 2 401.366 3.593 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1cc(Br)ccc1F ZINC000471494284 989692010 /nfs/dbraw/zinc/69/20/10/989692010.db2.gz ACVZAEROSRFOPF-UHFFFAOYSA-N 0 2 420.310 3.969 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1ccccc1Br ZINC000471511921 989710405 /nfs/dbraw/zinc/71/04/05/989710405.db2.gz VIKDOEKLBOREOP-UHFFFAOYSA-N 0 2 402.320 3.830 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)c(C)c1 ZINC000471528678 989728820 /nfs/dbraw/zinc/72/88/20/989728820.db2.gz SZNCOVRTGRQYBO-UHFFFAOYSA-N 0 2 403.529 3.982 20 0 HHADLN COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1cccc2ccn(C)c21 ZINC000471575837 989778312 /nfs/dbraw/zinc/77/83/12/989778312.db2.gz WIZAEZJXVWRFAX-UHFFFAOYSA-N 0 2 423.288 3.528 20 0 HHADLN CC(C)(O)CC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000471592206 989796560 /nfs/dbraw/zinc/79/65/60/989796560.db2.gz CKHIIKNDDVOHNR-UHFFFAOYSA-N 0 2 417.314 3.894 20 0 HHADLN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)c(C)c1 ZINC000471910630 990078599 /nfs/dbraw/zinc/07/85/99/990078599.db2.gz LOWWYFKFCRUWBX-ZDUSSCGKSA-N 0 2 403.479 3.945 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000466359191 991628613 /nfs/dbraw/zinc/62/86/13/991628613.db2.gz JXSPDVJAFWZCGD-UHFFFAOYSA-N 0 2 424.450 3.600 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CC(=O)NCc4cccc(C)c4)nc(=O)c3s2)cc1 ZINC000466429156 991718097 /nfs/dbraw/zinc/71/80/97/991718097.db2.gz VRPBRCFTHUPGAP-UHFFFAOYSA-N 0 2 419.506 3.828 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)cnn1-c1ccccc1 ZINC000466474907 991767271 /nfs/dbraw/zinc/76/72/71/991767271.db2.gz RGVDYQOAXGHAES-UHFFFAOYSA-N 0 2 419.890 3.676 20 0 HHADLN COC(=O)c1ccc(C(C)C)c(NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000466662263 991976764 /nfs/dbraw/zinc/97/67/64/991976764.db2.gz XBNAQPZPKNBPJI-UHFFFAOYSA-N 0 2 414.487 3.971 20 0 HHADLN CCC(C)(C)c1ccc(S(=O)(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1 ZINC000466858412 992177467 /nfs/dbraw/zinc/17/74/67/992177467.db2.gz HVPQDLTWHIVJJH-UHFFFAOYSA-N 0 2 405.545 3.905 20 0 HHADLN O=S(=O)(Nc1nc2ccccc2s1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000467039603 992349009 /nfs/dbraw/zinc/34/90/09/992349009.db2.gz APLUAWDIKRKGCS-GFCCVEGCSA-N 0 2 408.476 3.652 20 0 HHADLN CC(C)(C)OC(=O)Cc1ccccc1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000467084644 992390801 /nfs/dbraw/zinc/39/08/01/992390801.db2.gz IYPWELZDCRQMGB-UHFFFAOYSA-N 0 2 401.406 3.789 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000467422843 992723028 /nfs/dbraw/zinc/72/30/28/992723028.db2.gz HOOGNZWYBHVRRX-UHFFFAOYSA-N 0 2 406.357 3.612 20 0 HHADLN C[C@@H](COc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000472177406 993220732 /nfs/dbraw/zinc/22/07/32/993220732.db2.gz WKGYGHMASJYPEW-AWEZNQCLSA-N 0 2 417.512 3.598 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)c1 ZINC000472437763 993440558 /nfs/dbraw/zinc/44/05/58/993440558.db2.gz NBEKVOCABGCCJZ-UHFFFAOYSA-N 0 2 411.892 3.677 20 0 HHADLN O=C(c1ccccc1NS(=O)(=O)N1CCC2(CCCCC2)CC1)N1CCCC1 ZINC000480722191 993589907 /nfs/dbraw/zinc/58/99/07/993589907.db2.gz BGNIITFKDMGZFY-UHFFFAOYSA-N 0 2 405.564 3.626 20 0 HHADLN Cc1ccc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)c(Br)c1 ZINC000473506232 994355612 /nfs/dbraw/zinc/35/56/12/994355612.db2.gz RINMBJCPBDKTLA-UHFFFAOYSA-N 0 2 416.279 3.776 20 0 HHADLN Cc1cc(Br)ccc1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473515838 994368546 /nfs/dbraw/zinc/36/85/46/994368546.db2.gz UKIBZMGXJKLDIM-UHFFFAOYSA-N 0 2 416.279 3.776 20 0 HHADLN CCOc1cc(Cl)ccc1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473698011 994588662 /nfs/dbraw/zinc/58/86/62/994588662.db2.gz LQKDYAVCGRLOQW-UHFFFAOYSA-N 0 2 401.854 3.758 20 0 HHADLN Cc1coc(-c2cccc(NC(=O)NCc3nnc(COc4ccccc4)[nH]3)c2)n1 ZINC000473705629 994596460 /nfs/dbraw/zinc/59/64/60/994596460.db2.gz KGZLUXYIJHYWIE-UHFFFAOYSA-N 0 2 404.430 3.669 20 0 HHADLN CC(C)n1cc2cc(NC(=O)NCc3nnc(COc4ccccc4)[nH]3)ccc2n1 ZINC000473721551 994615116 /nfs/dbraw/zinc/61/51/16/994615116.db2.gz KTZVKMMNSRVEAS-UHFFFAOYSA-N 0 2 405.462 3.636 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)sc1Cl ZINC000473758732 994670683 /nfs/dbraw/zinc/67/06/83/994670683.db2.gz QNGWYEMBKLEBFQ-PHIMTYICSA-N 0 2 421.997 3.576 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(CC(C)(C)C)nn2C)c(Br)c1 ZINC000481821264 994672066 /nfs/dbraw/zinc/67/20/66/994672066.db2.gz YGTBOCMTQHIHIA-UHFFFAOYSA-N 0 2 416.341 3.581 20 0 HHADLN CCCc1cc(NS(=O)(=O)c2ccc3sc(C(=O)OCC)cc3c2)n(C)n1 ZINC000481826177 994677890 /nfs/dbraw/zinc/67/78/90/994677890.db2.gz VHRMOUDGUMHRGU-UHFFFAOYSA-N 0 2 407.517 3.565 20 0 HHADLN CCCCc1nnc(NS(=O)(=O)c2ccc3oc(C(=O)OCC)c(C)c3c2)s1 ZINC000473765415 994682612 /nfs/dbraw/zinc/68/26/12/994682612.db2.gz ZMJLHGGLZKGDIS-UHFFFAOYSA-N 0 2 423.516 3.913 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)sc1Cl ZINC000473768044 994686555 /nfs/dbraw/zinc/68/65/55/994686555.db2.gz WEFYPYUASIIMKP-UHFFFAOYSA-N 0 2 422.962 3.524 20 0 HHADLN COc1ccc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1OC(C)C ZINC000473772992 994692973 /nfs/dbraw/zinc/69/29/73/994692973.db2.gz BAFRHKTWPPEZOH-UHFFFAOYSA-N 0 2 411.462 3.501 20 0 HHADLN COCCc1ccc(S(=O)(=O)Nc2nnc(-c3cc(F)ccc3C)s2)cc1 ZINC000481842779 994697952 /nfs/dbraw/zinc/69/79/52/994697952.db2.gz CXQQQZPPEJUKCV-UHFFFAOYSA-N 0 2 407.492 3.642 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c(Br)c1 ZINC000481850358 994707145 /nfs/dbraw/zinc/70/71/45/994707145.db2.gz WMMAJRVQWLMNNY-UHFFFAOYSA-N 0 2 417.228 3.734 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3nc4cc(F)c(C)cc4s3)cnc2c1Cl ZINC000481860211 994719144 /nfs/dbraw/zinc/71/91/44/994719144.db2.gz GYUWZJGDQAOCGG-UHFFFAOYSA-N 0 2 411.871 3.549 20 0 HHADLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)s1 ZINC000481860865 994720543 /nfs/dbraw/zinc/72/05/43/994720543.db2.gz SCTMGQPABXQEBS-UHFFFAOYSA-N 0 2 421.475 3.615 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(Cc3ccccc3)o2)cc1C(C)C ZINC000481874707 994739674 /nfs/dbraw/zinc/73/96/74/994739674.db2.gz YDNZVSZWIWRXCZ-UHFFFAOYSA-N 0 2 401.488 3.902 20 0 HHADLN Cc1ccc2cccnc2c1S(=O)(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000481919401 994791791 /nfs/dbraw/zinc/79/17/91/994791791.db2.gz IKHXUYZIIDTZKF-UHFFFAOYSA-N 0 2 401.513 3.956 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)[nH]nc1-c1ccccc1 ZINC000481942919 994819401 /nfs/dbraw/zinc/81/94/01/994819401.db2.gz MLOWEERJCBUYEF-UHFFFAOYSA-N 0 2 412.393 3.522 20 0 HHADLN CCOC(=O)c1oc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)nc1C ZINC000481944049 994821228 /nfs/dbraw/zinc/82/12/28/994821228.db2.gz OWGUCFZYELMJBH-UHFFFAOYSA-N 0 2 412.773 3.633 20 0 HHADLN CCOC(=O)c1oc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)nc1C ZINC000481946364 994825806 /nfs/dbraw/zinc/82/58/06/994825806.db2.gz WCOUCWCGVFWVQD-UHFFFAOYSA-N 0 2 412.773 3.633 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)c2ccccc12 ZINC000481948340 994827996 /nfs/dbraw/zinc/82/79/96/994827996.db2.gz ZRTMLUTYOMRHBB-UHFFFAOYSA-N 0 2 404.517 3.748 20 0 HHADLN O=C(NCCc1ccc(Cl)cc1Cl)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473887506 994837187 /nfs/dbraw/zinc/83/71/87/994837187.db2.gz VRPKSSBJEKWMRG-UHFFFAOYSA-N 0 2 420.300 3.732 20 0 HHADLN CC(C)(C)c1ccc(OCCNC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000473887477 994837445 /nfs/dbraw/zinc/83/74/45/994837445.db2.gz VGBNNIJARJXAAG-UHFFFAOYSA-N 0 2 423.517 3.559 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1OCC(F)(F)F ZINC000482042066 994963326 /nfs/dbraw/zinc/96/33/26/994963326.db2.gz BWAJEOXSSBEQPX-UHFFFAOYSA-N 0 2 415.311 3.854 20 0 HHADLN CC[C@H](CSc1ccccc1)NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474001535 994990915 /nfs/dbraw/zinc/99/09/15/994990915.db2.gz SAVFGILDNIBKIO-MRXNPFEDSA-N 0 2 411.531 3.754 20 0 HHADLN CC[C@H](Cc1ccc(Cl)cc1)NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474029596 995021590 /nfs/dbraw/zinc/02/15/90/995021590.db2.gz HOLBSVOKQOOYHR-QGZVFWFLSA-N 0 2 413.909 3.858 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000474042131 995032209 /nfs/dbraw/zinc/03/22/09/995032209.db2.gz WXJZEANGIXQLBH-UYAOXDASSA-N 0 2 405.502 3.594 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000474042129 995032727 /nfs/dbraw/zinc/03/27/27/995032727.db2.gz WXJZEANGIXQLBH-QUCCMNQESA-N 0 2 405.502 3.594 20 0 HHADLN Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474074527 995060438 /nfs/dbraw/zinc/06/04/38/995060438.db2.gz MAAVFRZQKOAQPV-GOSISDBHSA-N 0 2 423.521 3.551 20 0 HHADLN CC1(C)CN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C[C@@H]1c1ccccc1 ZINC000474084815 995067951 /nfs/dbraw/zinc/06/79/51/995067951.db2.gz SMLKUVQIDLDGPI-LJQANCHMSA-N 0 2 405.502 3.719 20 0 HHADLN C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474086590 995069120 /nfs/dbraw/zinc/06/91/20/995069120.db2.gz BCJZNJUERYUFTA-HKUYNNGSSA-N 0 2 405.502 3.546 20 0 HHADLN Cc1cc(C)cc([C@@H]2CCN(C(=O)NCc3nnc(COc4ccccc4)[nH]3)C2)c1 ZINC000474087912 995070923 /nfs/dbraw/zinc/07/09/23/995070923.db2.gz HDDYFKSIPCEYNZ-GOSISDBHSA-N 0 2 405.502 3.700 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000482135346 995085276 /nfs/dbraw/zinc/08/52/76/995085276.db2.gz ZUIFMHONSYYWDS-UHFFFAOYSA-N 0 2 417.487 3.893 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)cc1OCC ZINC000474411193 995377213 /nfs/dbraw/zinc/37/72/13/995377213.db2.gz JPKWQXIWAQLLFU-UHFFFAOYSA-N 0 2 405.501 3.803 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CC=C(c4c(F)cccc4F)CC3)=N2)cc1 ZINC000474412017 995377801 /nfs/dbraw/zinc/37/78/01/995377801.db2.gz JNMWDZYWOIQWSE-UHFFFAOYSA-N 0 2 411.408 3.794 20 0 HHADLN O=S(=O)(Nc1cc(C2CC2)n[nH]1)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000474423738 995387491 /nfs/dbraw/zinc/38/74/91/995387491.db2.gz DEQNSZVYNCRQPY-UHFFFAOYSA-N 0 2 407.389 3.505 20 0 HHADLN O=S(=O)(Nc1cc(C2CCOCC2)n[nH]1)c1ccc(OCc2ccccc2)cc1 ZINC000474428925 995392152 /nfs/dbraw/zinc/39/21/52/995392152.db2.gz VHNZEKNWPSAJGD-UHFFFAOYSA-N 0 2 413.499 3.684 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccc2)s1)c1ccc(F)cc1Br ZINC000474435589 995397165 /nfs/dbraw/zinc/39/71/65/995397165.db2.gz VHZCONHBYNABLG-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1csc(-c2ccc(F)cc2)n1 ZINC000474572522 995534670 /nfs/dbraw/zinc/53/46/70/995534670.db2.gz FTPDBCKZZPOBLN-UHFFFAOYSA-N 0 2 409.446 3.576 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccc(Oc2ccccc2)nc1 ZINC000474574977 995537223 /nfs/dbraw/zinc/53/72/23/995537223.db2.gz DLLOLRBDKSTUJU-UHFFFAOYSA-N 0 2 401.426 3.501 20 0 HHADLN O=C(C[C@@H](c1ccccc1)C(F)(F)F)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474578725 995539636 /nfs/dbraw/zinc/53/96/36/995539636.db2.gz MCTNEBPDLSVUHE-INIZCTEOSA-N 0 2 404.392 3.736 20 0 HHADLN CC(C)c1cc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)nn1-c1ccccc1 ZINC000474586373 995546033 /nfs/dbraw/zinc/54/60/33/995546033.db2.gz LZYHRDAQJZTYPI-UHFFFAOYSA-N 0 2 416.485 3.623 20 0 HHADLN CC(C)(Oc1cccc(Cl)c1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474595173 995553458 /nfs/dbraw/zinc/55/34/58/995553458.db2.gz QLCPGGWSOAXNGT-UHFFFAOYSA-N 0 2 400.866 3.511 20 0 HHADLN C[C@@H]1CCC[C@H](CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)[C@H]1C ZINC000482696719 995687566 /nfs/dbraw/zinc/68/75/66/995687566.db2.gz RQEUWZVEMKDGKU-IJEWVQPXSA-N 0 2 407.561 3.746 20 0 HHADLN CN(Cc1ccc(F)cc1Br)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000482759843 995730192 /nfs/dbraw/zinc/73/01/92/995730192.db2.gz MGKMLONTHSZYCJ-UHFFFAOYSA-N 0 2 422.229 3.891 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)NCc1ccc(-c2ccncc2)cc1 ZINC000483086229 995964069 /nfs/dbraw/zinc/96/40/69/995964069.db2.gz HOIYWILJKDCZPR-UHFFFAOYSA-N 0 2 405.483 3.801 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3cccc(Oc4ccncc4)c3)c(F)cc2N1 ZINC000483164004 996011856 /nfs/dbraw/zinc/01/18/56/996011856.db2.gz LHHONFDHHMPPBD-UHFFFAOYSA-N 0 2 413.430 3.699 20 0 HHADLN COc1ccc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)c(OCCOC(C)C)c1 ZINC000475355682 996086844 /nfs/dbraw/zinc/08/68/44/996086844.db2.gz KEQZVMMXNQLHAP-UHFFFAOYSA-N 0 2 413.499 3.692 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@@H]3CCOC4(CCSCC4)C3)=N2)c1 ZINC000483499052 996219353 /nfs/dbraw/zinc/21/93/53/996219353.db2.gz ZASQRUXWJYQIII-QGZVFWFLSA-N 0 2 415.559 3.876 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)s[nH]1 ZINC000475629199 996261756 /nfs/dbraw/zinc/26/17/56/996261756.db2.gz WMJJNYCOUUOXFW-ZDUSSCGKSA-N 0 2 414.453 3.882 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)c(Br)c1 ZINC000475812170 996386395 /nfs/dbraw/zinc/38/63/95/996386395.db2.gz OZNXYIYGGMHNFZ-UHFFFAOYSA-N 0 2 410.648 3.757 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C)c(Br)c1 ZINC000475821624 996393087 /nfs/dbraw/zinc/39/30/87/996393087.db2.gz OOBSMGUJVPVYOV-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN Cc1nc(-c2ccccc2NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cs1 ZINC000475838380 996406419 /nfs/dbraw/zinc/40/64/19/996406419.db2.gz VESOFCYGJDEDRA-UHFFFAOYSA-N 0 2 417.487 3.943 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC3(C)C)cc2)nc(C)n1 ZINC000483893758 996453410 /nfs/dbraw/zinc/45/34/10/996453410.db2.gz FSJCHKOTULZIEC-QGZVFWFLSA-N 0 2 402.520 3.659 20 0 HHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2nc3ccc(Br)cn3n2)cc1 ZINC000484021819 996526079 /nfs/dbraw/zinc/52/60/79/996526079.db2.gz VXIPSXHTBRXILD-UHFFFAOYSA-N 0 2 409.309 3.590 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc(OC)c1C(C)C ZINC000484038004 996535482 /nfs/dbraw/zinc/53/54/82/996535482.db2.gz SUPGLJXJXPRFMG-UHFFFAOYSA-N 0 2 422.478 3.652 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c(-c3ccccn3)nc2c1)c1cnn(-c2ccccc2)c1 ZINC000484229916 996647516 /nfs/dbraw/zinc/64/75/16/996647516.db2.gz GHCWXFIKFNHZJK-UHFFFAOYSA-N 0 2 416.466 3.611 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cccc(OCc4cscn4)c3)s[nH]2)c1 ZINC000476319071 996753597 /nfs/dbraw/zinc/75/35/97/996753597.db2.gz CABGCFHAYMPUMV-UHFFFAOYSA-N 0 2 424.507 3.923 20 0 HHADLN Cc1c(COC(C)(C)C)cccc1NS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000476384813 996828193 /nfs/dbraw/zinc/82/81/93/996828193.db2.gz HMQCTMYRUHYTFL-UHFFFAOYSA-N 0 2 411.545 3.514 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000484519247 996849839 /nfs/dbraw/zinc/84/98/39/996849839.db2.gz YCXVOIOILKIYKS-UHFFFAOYSA-N 0 2 416.455 3.962 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N(Cc1cccs1)C1CC1 ZINC000476401987 996860455 /nfs/dbraw/zinc/86/04/55/996860455.db2.gz QWJSGYXDDKYJST-UHFFFAOYSA-N 0 2 419.553 3.810 20 0 HHADLN Cc1cc(N(C)C)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476403071 996861361 /nfs/dbraw/zinc/86/13/61/996861361.db2.gz UFZKAZVJFOHTPN-UHFFFAOYSA-N 0 2 416.528 3.571 20 0 HHADLN CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000476417637 996880732 /nfs/dbraw/zinc/88/07/32/996880732.db2.gz XOVOVBOXCZZBSX-UHFFFAOYSA-N 0 2 403.485 3.595 20 0 HHADLN O=S(=O)(Nc1cc(-c2ccc(Cl)cc2)ncn1)c1ccc2c(c1)OCCCO2 ZINC000476424620 996891295 /nfs/dbraw/zinc/89/12/95/996891295.db2.gz PKEKRPGBNZNJKR-UHFFFAOYSA-N 0 2 417.874 3.759 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)ncn2)cc1OC ZINC000476424684 996891906 /nfs/dbraw/zinc/89/19/06/996891906.db2.gz PUDIZACJKHDHPF-UHFFFAOYSA-N 0 2 419.890 3.923 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3ccccc3OC(F)F)o2)cc1 ZINC000476428405 996898057 /nfs/dbraw/zinc/89/80/57/996898057.db2.gz YKXJWOZZLMBIPR-UHFFFAOYSA-N 0 2 411.386 3.538 20 0 HHADLN O=C(N=c1nc(SCc2ccccc2)[n-]s1)NCCCCNc1cccc[nH+]1 ZINC000476479484 996958944 /nfs/dbraw/zinc/95/89/44/996958944.db2.gz BIDGEWRSGZHFJI-UHFFFAOYSA-N 0 2 414.560 3.661 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000484627689 996960002 /nfs/dbraw/zinc/96/00/02/996960002.db2.gz FPXINOLRAJOWFU-UHFFFAOYSA-N 0 2 402.428 3.617 20 0 HHADLN CCc1nnc(C2CC[NH+](CC(=O)N[C@@H](CC(C)(C)C)c3ccc(F)cc3)CC2)[nH]1 ZINC000484724258 997064688 /nfs/dbraw/zinc/06/46/88/997064688.db2.gz DFLDROXHHLHOMM-IBGZPJMESA-N 0 2 415.557 3.979 20 0 HHADLN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCCc3cn[nH]c32)c1 ZINC000484734402 997076757 /nfs/dbraw/zinc/07/67/57/997076757.db2.gz HJIGHZTYZUXADP-HXUWFJFHSA-N 0 2 424.526 3.635 20 0 HHADLN CC(C)c1cnc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)s1 ZINC000476682421 997222586 /nfs/dbraw/zinc/22/25/86/997222586.db2.gz AMTBFFIWAVEZCC-UHFFFAOYSA-N 0 2 408.530 3.776 20 0 HHADLN C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)[C@H]1c1ccccc1 ZINC000476696127 997236539 /nfs/dbraw/zinc/23/65/39/997236539.db2.gz VMTZRFVONOVUBT-KBXCAEBGSA-N 0 2 413.524 3.777 20 0 HHADLN CC[C@H](C)[C@@H](C)N(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC1 ZINC000476749523 997304768 /nfs/dbraw/zinc/30/47/68/997304768.db2.gz VASFDMPCWWXJLR-UONOGXRCSA-N 0 2 407.561 3.983 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ncc(C(C)C)s2)cc1Br ZINC000476916904 997526378 /nfs/dbraw/zinc/52/63/78/997526378.db2.gz UNKYYRMNNIXOGY-UHFFFAOYSA-N 0 2 421.338 3.847 20 0 HHADLN C[C@H]1CCC[C@H](C)C1NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485359420 997783811 /nfs/dbraw/zinc/78/38/11/997783811.db2.gz QSTCXLAFHRYWGL-STQMWFEESA-N 0 2 408.549 3.890 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N[C@H]1CCCc2occc21 ZINC000485369791 997795023 /nfs/dbraw/zinc/79/50/23/997795023.db2.gz JQDKAMCSUVFGJJ-HNNXBMFYSA-N 0 2 418.500 3.736 20 0 HHADLN CCN(Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485370988 997797297 /nfs/dbraw/zinc/79/72/97/997797297.db2.gz GUPZNVMOLNDSPU-UHFFFAOYSA-N 0 2 416.528 3.998 20 0 HHADLN C[C@H]1CCC[C@H](C)N(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000485374800 997800906 /nfs/dbraw/zinc/80/09/06/997800906.db2.gz XHNXRBVJXNTFDW-KBPBESRZSA-N 0 2 408.549 3.986 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1N1CCOCC1)c1cc(F)ccc1Cl ZINC000485381892 997809464 /nfs/dbraw/zinc/80/94/64/997809464.db2.gz PYFABHZENJHRHH-UHFFFAOYSA-N 0 2 405.278 3.770 20 0 HHADLN CC[C@H](C)[C@@H](OC)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C ZINC000477155488 997815475 /nfs/dbraw/zinc/81/54/75/997815475.db2.gz YWRWXEDPNNMEBH-ORAYPTAESA-N 0 2 408.495 3.935 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Br)cc1F ZINC000485390966 997818573 /nfs/dbraw/zinc/81/85/73/997818573.db2.gz SNOAIDYEMYBCDG-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN CC(=O)N(C)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000485393131 997821144 /nfs/dbraw/zinc/82/11/44/997821144.db2.gz YTXJTQASEQFOBE-UHFFFAOYSA-N 0 2 417.712 3.886 20 0 HHADLN COc1cc2c(cc1S(=O)(=O)Nc1ccccc1-c1cccs1)OCC(=O)N2 ZINC000485395064 997822760 /nfs/dbraw/zinc/82/27/60/997822760.db2.gz LAJGIFCPCVELDY-UHFFFAOYSA-N 0 2 416.480 3.555 20 0 HHADLN CC(C)[C@H](O)C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000485574975 998023620 /nfs/dbraw/zinc/02/36/20/998023620.db2.gz ICDUCIJFRUWUEB-HNNXBMFYSA-N 0 2 417.314 3.750 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000477411054 998096333 /nfs/dbraw/zinc/09/63/33/998096333.db2.gz HQUALNBBZNTMMS-UHFFFAOYSA-N 0 2 404.444 3.756 20 0 HHADLN O=S(=O)(Nc1cccc(OCc2ccc(F)cc2)c1)c1cnn(CC(F)F)c1 ZINC000477520392 998240457 /nfs/dbraw/zinc/24/04/57/998240457.db2.gz KUTPTPOJGISVTO-UHFFFAOYSA-N 0 2 411.405 3.667 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(C(=O)C3CCC3)cc2)cn1 ZINC000486077262 998524020 /nfs/dbraw/zinc/52/40/20/998524020.db2.gz HXNLSWPHQAGWEV-UHFFFAOYSA-N 0 2 411.483 3.665 20 0 HHADLN O=C(C1=NN(c2ccccc2)CC1=O)N(CCc1ccccn1)Cc1ccc(F)cc1 ZINC000486207378 998646267 /nfs/dbraw/zinc/64/62/67/998646267.db2.gz TXGSAARDZBGONO-UHFFFAOYSA-N 0 2 416.456 3.997 20 0 HHADLN Cn1nc(-c2ccsc2)cc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000486546753 998818678 /nfs/dbraw/zinc/81/86/78/998818678.db2.gz FHTLBTVVLCKCHV-UHFFFAOYSA-N 0 2 403.407 3.848 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)Nc2ncc3c(n2)CCC(C)(C)C3)s1 ZINC000486561490 998826648 /nfs/dbraw/zinc/82/66/48/998826648.db2.gz WXKTVARYADRNGC-UHFFFAOYSA-N 0 2 416.366 3.925 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3cc(-c4ccsc4)nn3C)cc2F)c1 ZINC000486565820 998829434 /nfs/dbraw/zinc/82/94/34/998829434.db2.gz WLUVDWJJCBYMKW-UHFFFAOYSA-N 0 2 417.491 3.583 20 0 HHADLN COCCc1cc(NS(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)n(C)n1 ZINC000486566241 998829791 /nfs/dbraw/zinc/82/97/91/998829791.db2.gz UHBGUWHKKJKPBQ-UHFFFAOYSA-N 0 2 401.488 3.511 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)cc1OC ZINC000486566349 998829889 /nfs/dbraw/zinc/82/98/89/998829889.db2.gz YOOYRFCEBCUFOO-UHFFFAOYSA-N 0 2 413.908 3.620 20 0 HHADLN COC(=O)c1ccc(CS(=O)(=O)Nc2cc(-c3cccc(Cl)c3)on2)cc1 ZINC000486577052 998837110 /nfs/dbraw/zinc/83/71/10/998837110.db2.gz SJYXBRXHYIGPFP-UHFFFAOYSA-N 0 2 406.847 3.724 20 0 HHADLN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(OC)c2ncccc12 ZINC000486601447 998850814 /nfs/dbraw/zinc/85/08/14/998850814.db2.gz JEIXQMIDQGPGKG-UHFFFAOYSA-N 0 2 423.288 3.815 20 0 HHADLN CC(=O)CCc1ccc(O[C@@H](C)C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1 ZINC000478325301 998889509 /nfs/dbraw/zinc/88/95/09/998889509.db2.gz KYHGJTPZZLEBFH-ZDUSSCGKSA-N 0 2 414.412 3.678 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000486786164 998939320 /nfs/dbraw/zinc/93/93/20/998939320.db2.gz LDAGNIVKZHMGMR-UHFFFAOYSA-N 0 2 409.870 3.671 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000486869493 998982525 /nfs/dbraw/zinc/98/25/25/998982525.db2.gz QMYJCECFRICYRF-UHFFFAOYSA-N 0 2 424.475 3.616 20 0 HHADLN COc1cc(NS(=O)(=O)c2ccccc2Br)c(OC)c(C)c1OC ZINC000478671781 999080864 /nfs/dbraw/zinc/08/08/64/999080864.db2.gz FKOCYVJKVHVHCL-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2N2CCOCC2)c1 ZINC000487294074 999126374 /nfs/dbraw/zinc/12/63/74/999126374.db2.gz CDQOLSAUOYCMHH-UHFFFAOYSA-N 0 2 417.314 3.639 20 0 HHADLN Cc1nc2sccn2c1CN(C)C(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC000478831723 999165377 /nfs/dbraw/zinc/16/53/77/999165377.db2.gz FSXHRVDXUUXXOA-UHFFFAOYSA-N 0 2 409.515 3.991 20 0 HHADLN O=S(=O)(Nc1ccccc1N1CCCCCC1)c1cnn(CC(F)(F)F)c1 ZINC000479058248 999272599 /nfs/dbraw/zinc/27/25/99/999272599.db2.gz IZTQIBPXVTWNKB-UHFFFAOYSA-N 0 2 402.442 3.627 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(-c2ccco2)nn1-c1cccc(C)c1 ZINC000479076422 999282722 /nfs/dbraw/zinc/28/27/22/999282722.db2.gz DKOSHUONIPRCKY-UHFFFAOYSA-N 0 2 411.487 3.592 20 0 HHADLN O=S(=O)(Nc1nc2c(ccc3c2CCCC3)s1)c1cnn(CC(F)(F)F)c1 ZINC000479085679 999286676 /nfs/dbraw/zinc/28/66/76/999286676.db2.gz OSMYEIFORZEPMY-UHFFFAOYSA-N 0 2 416.450 3.735 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1nc(C)c(Cc2ccc(F)cc2)s1 ZINC000479089114 999288475 /nfs/dbraw/zinc/28/84/75/999288475.db2.gz IRWVJNDAKYJWPE-UHFFFAOYSA-N 0 2 422.503 3.999 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc2c(cccc2Cl)s1 ZINC000479107958 999297517 /nfs/dbraw/zinc/29/75/17/999297517.db2.gz MUOPQMYZUXQJKF-UHFFFAOYSA-N 0 2 402.906 3.907 20 0 HHADLN COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2nnc(/C=C/c3ccco3)s2)c1 ZINC000479258110 999351285 /nfs/dbraw/zinc/35/12/85/999351285.db2.gz RMXKARSXAWUKOS-VOTSOKGWSA-N 0 2 419.484 3.506 20 0 HHADLN CCn1cnnc1-c1ccccc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000479276322 999360482 /nfs/dbraw/zinc/36/04/82/999360482.db2.gz KIDRNDVHRWFFLO-UHFFFAOYSA-N 0 2 414.384 3.924 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000479295625 999370784 /nfs/dbraw/zinc/37/07/84/999370784.db2.gz XCFVMMFHPOFJQA-SFHVURJKSA-N 0 2 419.815 3.723 20 0 HHADLN Cc1c(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)sc2nccn12 ZINC000488187429 999407608 /nfs/dbraw/zinc/40/76/08/999407608.db2.gz UFFSCQMBIZTXRF-UHFFFAOYSA-N 0 2 421.255 3.643 20 0 HHADLN C[C@@H]1CC(=Cc2ccco2)c2nc3ccccc3c(C(=O)NCc3n[nH]c(=O)[nH]3)c2C1 ZINC000479373984 999409961 /nfs/dbraw/zinc/40/99/61/999409961.db2.gz HFBMQWGCBZEYKC-KECPUOCWSA-N 0 2 415.453 3.704 20 0 HHADLN O=S(=O)(Nc1cccc2c1OCCC2)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000488281157 999422405 /nfs/dbraw/zinc/42/24/05/999422405.db2.gz RTZLOKARIPCNSH-CQSZACIVSA-N 0 2 423.918 3.881 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000479486558 999439078 /nfs/dbraw/zinc/43/90/78/999439078.db2.gz DYEIAGJYDKQTLJ-UHFFFAOYSA-N 0 2 412.467 3.757 20 0 HHADLN COC(=O)c1cc(C(C)C)ccc1NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000479496613 999444289 /nfs/dbraw/zinc/44/42/89/999444289.db2.gz JYVGMJMCICSJRA-BTYIYWSLSA-N 0 2 407.532 3.734 20 0 HHADLN COc1c(Cl)cc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1Cl ZINC000479495966 999444295 /nfs/dbraw/zinc/44/42/95/999444295.db2.gz IPEAULSEQLKSBF-UHFFFAOYSA-N 0 2 404.197 3.562 20 0 HHADLN O=S(=O)(Nc1cccc(CCC(F)(F)F)c1)c1cnn(CC(F)(F)F)c1 ZINC000479509438 999451064 /nfs/dbraw/zinc/45/10/64/999451064.db2.gz IRCYLMINYQHYCS-UHFFFAOYSA-N 0 2 401.332 3.741 20 0 HHADLN Cc1c(C[S@@](C)=O)cccc1NS(=O)(=O)c1ccc(Br)cc1F ZINC000479516313 999454988 /nfs/dbraw/zinc/45/49/88/999454988.db2.gz MQRRSQYEBSNYGR-JOCHJYFZSA-N 0 2 420.325 3.576 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(OCc2ccccn2)c(F)c1 ZINC000479516995 999455382 /nfs/dbraw/zinc/45/53/82/999455382.db2.gz OPMHVIVJBQPARZ-UHFFFAOYSA-N 0 2 418.446 3.618 20 0 HHADLN Cc1ccc(C(=O)NCC(F)(F)F)cc1NS(=O)(=O)c1c(C)cccc1F ZINC000479521462 999458124 /nfs/dbraw/zinc/45/81/24/999458124.db2.gz FIYICSBRBVCEKE-UHFFFAOYSA-N 0 2 404.385 3.535 20 0 HHADLN COc1cc(OC)c(NS(=O)(=O)c2ccccc2C(=O)c2ccccc2)cc1F ZINC000479522474 999458978 /nfs/dbraw/zinc/45/89/78/999458978.db2.gz NIUJQQISOAAQFM-UHFFFAOYSA-N 0 2 415.442 3.875 20 0 HHADLN O=S(=O)(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1ccc(F)cc1F ZINC000479540781 999468597 /nfs/dbraw/zinc/46/85/97/999468597.db2.gz GVLANEBNFSJOIL-UHFFFAOYSA-N 0 2 403.332 3.970 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1cc(F)cc(F)c1 ZINC000488388291 999470484 /nfs/dbraw/zinc/47/04/84/999470484.db2.gz PWVVKAFRXQAXOR-NSHDSACASA-N 0 2 403.834 3.834 20 0 HHADLN O=C1CCCN1c1ccc(NS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)nc1 ZINC000488412681 999479831 /nfs/dbraw/zinc/47/98/31/999479831.db2.gz YFHHLZOZFVIEJL-UHFFFAOYSA-N 0 2 419.812 3.681 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cc(F)ccc1F ZINC000488413959 999480305 /nfs/dbraw/zinc/48/03/05/999480305.db2.gz DOMDLOSGENKFMU-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1C ZINC000488423803 999482879 /nfs/dbraw/zinc/48/28/79/999482879.db2.gz WVJBDUIYDFDDPJ-UHFFFAOYSA-N 0 2 409.920 3.900 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cccc(F)c1F ZINC000488443393 999488796 /nfs/dbraw/zinc/48/87/96/999488796.db2.gz UVDYWOSICFSCJJ-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)nc1C ZINC000479600125 999495598 /nfs/dbraw/zinc/49/55/98/999495598.db2.gz JPZZKUVNBQIMKG-UHFFFAOYSA-N 0 2 408.423 3.534 20 0 HHADLN CCS[C@@H](C)c1noc(CN(C)C(=O)C2=NN(c3ccccc3CC)CC2=O)n1 ZINC000488480517 999502208 /nfs/dbraw/zinc/50/22/08/999502208.db2.gz OXATZKZVQYMIOD-ZDUSSCGKSA-N 0 2 415.519 3.610 20 0 HHADLN Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)NCc3csc(O)n3)cc12 ZINC000479652626 999521664 /nfs/dbraw/zinc/52/16/64/999521664.db2.gz QLMDXUFQBDLOCH-UHFFFAOYSA-N 0 2 402.476 3.686 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cc(C)c(C)c3ncccc23)c(OC)c1 ZINC000488564483 999529466 /nfs/dbraw/zinc/52/94/66/999529466.db2.gz KJXNVPWXOUIAAV-UHFFFAOYSA-N 0 2 402.472 3.678 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)c(OC)c1 ZINC000488572783 999532149 /nfs/dbraw/zinc/53/21/49/999532149.db2.gz KTYVKANHJJRKOO-UHFFFAOYSA-N 0 2 420.512 3.561 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)nc1C ZINC000488578184 999533674 /nfs/dbraw/zinc/53/36/74/999533674.db2.gz NMSREQAKKHRGMW-UHFFFAOYSA-N 0 2 414.814 3.711 20 0 HHADLN COC(=O)c1nscc1NS(=O)(=O)c1ccc(Oc2cccc(C)c2)cc1 ZINC000479982739 999673412 /nfs/dbraw/zinc/67/34/12/999673412.db2.gz IYRIQVGJIJZERO-UHFFFAOYSA-N 0 2 404.469 3.831 20 0 HHADLN CCOC(=O)C1CCC(NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)CC1 ZINC000480075135 999710424 /nfs/dbraw/zinc/71/04/24/999710424.db2.gz DOLWJRWFEJWGDM-UHFFFAOYSA-N 0 2 408.911 3.524 20 0 HHADLN C[C@H](CN(C(=O)N=c1nc(-c2ccsc2)[nH]s1)[C@@H](C)CO)c1ccccc1 ZINC000480099033 999716553 /nfs/dbraw/zinc/71/65/53/999716553.db2.gz PMXLGYCLOCIZDG-KGLIPLIRSA-N 0 2 402.545 3.707 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000480180004 999737986 /nfs/dbraw/zinc/73/79/86/999737986.db2.gz OZRPGOQTXBEQRC-CJNGLKHVSA-N 0 2 418.881 3.759 20 0 HHADLN CCc1c(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cnn1C(CC)CC ZINC000480199555 999742924 /nfs/dbraw/zinc/74/29/24/999742924.db2.gz LTZARVGVCQCVSX-UHFFFAOYSA-N 0 2 401.536 3.852 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cnn1-c1ccccc1C ZINC000480218494 999748262 /nfs/dbraw/zinc/74/82/62/999748262.db2.gz CXPWDYSKBXVZNG-UHFFFAOYSA-N 0 2 412.515 3.811 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cccc(I)c2)c1C ZINC000480220843 999748919 /nfs/dbraw/zinc/74/89/19/999748919.db2.gz GWEZNIGWHCSBAT-JTQLQIEISA-N 0 2 419.288 3.568 20 0 HHADLN CCc1c(NS(=O)(=O)c2cc(C(=O)OC)cc(F)c2C)cnn1C(CC)CC ZINC000480235359 999752877 /nfs/dbraw/zinc/75/28/77/999752877.db2.gz WZRDHTACODPSSF-UHFFFAOYSA-N 0 2 411.499 3.842 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCC3)cnn1C(CC)CC ZINC000480248113 999755782 /nfs/dbraw/zinc/75/57/82/999755782.db2.gz NPKOLGKPCPFFFN-UHFFFAOYSA-N 0 2 418.563 3.907 20 0 HHADLN CCc1c(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cnn1-c1cccc(C)c1 ZINC000480255040 999757344 /nfs/dbraw/zinc/75/73/44/999757344.db2.gz XKRLSAXXMPGYQA-UHFFFAOYSA-N 0 2 421.526 3.789 20 0 HHADLN Cc1ccsc1CCCC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000490084081 999890433 /nfs/dbraw/zinc/89/04/33/999890433.db2.gz HJZOVWRKTAEEQV-UHFFFAOYSA-N 0 2 422.557 3.670 20 0 HHADLN C[C@H](CC1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000490099669 999892956 /nfs/dbraw/zinc/89/29/56/999892956.db2.gz GETMDSIYMINNPF-CYBMUJFWSA-N 0 2 408.549 3.884 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N(C)C2(C)CCCC2)c1 ZINC000490680092 999992580 /nfs/dbraw/zinc/99/25/80/999992580.db2.gz GDRAAAABBOKCGN-UHFFFAOYSA-N 0 2 418.515 3.606 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)cnn1CCC(C)C ZINC000491608725 1000089998 /nfs/dbraw/zinc/08/99/98/1000089998.db2.gz AQYXIOMKDLKJCS-UHFFFAOYSA-N 0 2 420.579 3.774 20 0 HHADLN CN(C)c1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)cn1 ZINC000504507540 1000240663 /nfs/dbraw/zinc/24/06/63/1000240663.db2.gz JCOZNEUEMPFGKJ-UHFFFAOYSA-N 0 2 408.680 3.503 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(-c3nc(C(C)(C)C)no3)ccc2F)cc1 ZINC000505089127 1000545298 /nfs/dbraw/zinc/54/52/98/1000545298.db2.gz JECUWLGMCFQMSY-UHFFFAOYSA-N 0 2 405.451 3.983 20 0 HHADLN CC[C@H]1CN(C(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)CCN1CC(F)F ZINC000494596729 1000568347 /nfs/dbraw/zinc/56/83/47/1000568347.db2.gz AJAJARFRUQXGTK-INIZCTEOSA-N 0 2 406.477 3.503 20 0 HHADLN Cc1noc(CCC(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)n1 ZINC000505257147 1000650635 /nfs/dbraw/zinc/65/06/35/1000650635.db2.gz HOLHMFWOXJPJQH-UHFFFAOYSA-N 0 2 407.455 3.682 20 0 HHADLN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000505272028 1000661172 /nfs/dbraw/zinc/66/11/72/1000661172.db2.gz FTDHTNAWQOYWEN-IAQYHMDHSA-N 0 2 421.288 3.618 20 0 HHADLN O=S(=O)(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1ccc2c(c1)COC2 ZINC000505300406 1000683879 /nfs/dbraw/zinc/68/38/79/1000683879.db2.gz UBGHTDPBSQLOBZ-UHFFFAOYSA-N 0 2 409.389 3.722 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NCC2(c3ccc(OC)cc3)CCCCC2)cn1 ZINC000495129997 1000868697 /nfs/dbraw/zinc/86/86/97/1000868697.db2.gz QYSWBLIVTCNJGY-UHFFFAOYSA-N 0 2 407.518 3.934 20 0 HHADLN CN(C(=O)CSc1nc(=O)cc(O)n1C1CCCC1)[C@@H]1CCCc2ccccc21 ZINC000497441801 1001367454 /nfs/dbraw/zinc/36/74/54/1001367454.db2.gz PPTWKKCMRYRXRM-GOSISDBHSA-N 0 2 413.543 3.692 20 0 HHADLN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccsc2)c(OC)c1 ZINC000506596999 1001466936 /nfs/dbraw/zinc/46/69/36/1001466936.db2.gz WQTOBRRIUHITDM-UHFFFAOYSA-N 0 2 418.496 3.818 20 0 HHADLN CCSc1cccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)c1 ZINC000506599963 1001467803 /nfs/dbraw/zinc/46/78/03/1001467803.db2.gz DGKPLCJNMSUHHA-UHFFFAOYSA-N 0 2 414.936 3.621 20 0 HHADLN C[C@H](CC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccccc1F ZINC000497798089 1001517075 /nfs/dbraw/zinc/51/70/75/1001517075.db2.gz IAOJPQXMPHJKNV-GFCCVEGCSA-N 0 2 420.491 3.610 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3cc(C)ccc3Cl)s2)c1 ZINC000497847642 1001535443 /nfs/dbraw/zinc/53/54/43/1001535443.db2.gz QSJFOVIVSKKVDW-UHFFFAOYSA-N 0 2 409.920 3.900 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)c1 ZINC000497863561 1001541177 /nfs/dbraw/zinc/54/11/77/1001541177.db2.gz UXCJDWSMXHWDNI-STQMWFEESA-N 0 2 415.968 3.515 20 0 HHADLN C[C@H]1CN(Cc2csc(NS(=O)(=O)c3csc4ccccc43)n2)C[C@H](C)O1 ZINC000506820047 1001548340 /nfs/dbraw/zinc/54/83/40/1001548340.db2.gz MKGNKKAVQMFWIQ-STQMWFEESA-N 0 2 423.585 3.768 20 0 HHADLN COC(=O)CCCc1nnc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)s1 ZINC000506830977 1001554463 /nfs/dbraw/zinc/55/44/63/1001554463.db2.gz SOHRKSRYEZXHBA-UHFFFAOYSA-N 0 2 417.512 3.502 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1nc[nH]n1)c1cc(Br)ccc1Cl ZINC000498019730 1001608200 /nfs/dbraw/zinc/60/82/00/1001608200.db2.gz DABGQPWRWJDMHB-UHFFFAOYSA-N 0 2 413.684 3.688 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCO[C@@H](Cc4ccccc4)C3)=N2)c1 ZINC000498026588 1001611442 /nfs/dbraw/zinc/61/14/42/1001611442.db2.gz PJSLCSRMNHFXIB-NRFANRHFSA-N 0 2 405.498 3.785 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](c3nc(C)cs3)C3CC3)s[nH]2)c1 ZINC000498210124 1001693903 /nfs/dbraw/zinc/69/39/03/1001693903.db2.gz MVYYHHFZQHSHFM-AWEZNQCLSA-N 0 2 401.517 3.673 20 0 HHADLN CC[C@](C)(NC(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1)c1nc(C)cs1 ZINC000498209896 1001694298 /nfs/dbraw/zinc/69/42/98/1001694298.db2.gz LDXGDMLQZURPIP-SFHVURJKSA-N 0 2 403.533 3.847 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C)Cc3nc4ccccc4s3)s[nH]2)c1 ZINC000498225292 1001708561 /nfs/dbraw/zinc/70/85/61/1001708561.db2.gz FMXHYBVMDXKANJ-UHFFFAOYSA-N 0 2 411.512 3.909 20 0 HHADLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2OC(C)(C)C)c1 ZINC000498490983 1001916879 /nfs/dbraw/zinc/91/68/79/1001916879.db2.gz SHKASLDVQYBRCH-UHFFFAOYSA-N 0 2 411.451 3.599 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000498507535 1001930108 /nfs/dbraw/zinc/93/01/08/1001930108.db2.gz SGVHOUXHFRYIDY-UHFFFAOYSA-N 0 2 410.467 3.771 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1c(-c2ccc(C)cc2)csc1C(=O)OC ZINC000507582060 1002186856 /nfs/dbraw/zinc/18/68/56/1002186856.db2.gz WKBNZOWUYBCTSA-UHFFFAOYSA-N 0 2 405.501 3.527 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2cccc3cc(Br)cnc32)c1 ZINC000507612446 1002217623 /nfs/dbraw/zinc/21/76/23/1002217623.db2.gz CGSIARQHBLAILL-UHFFFAOYSA-N 0 2 423.288 3.815 20 0 HHADLN CC1(C)CC(=O)c2cc(NS(=O)(=O)c3cnccc3C(F)(F)F)ccc2O1 ZINC000507619738 1002224348 /nfs/dbraw/zinc/22/43/48/1002224348.db2.gz WYJPIRPJTNUXRA-UHFFFAOYSA-N 0 2 400.378 3.645 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2OC(C)C)c1 ZINC000507878453 1002410156 /nfs/dbraw/zinc/41/01/56/1002410156.db2.gz OVXNYDNFESYFQY-UHFFFAOYSA-N 0 2 411.451 3.599 20 0 HHADLN COCCc1ccccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000507935576 1002469047 /nfs/dbraw/zinc/46/90/47/1002469047.db2.gz NXDAUPGATQXXSE-UHFFFAOYSA-N 0 2 418.298 3.770 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc(OC(F)F)c(Cl)c3)cnc2c1Cl ZINC000499156222 1002540041 /nfs/dbraw/zinc/54/00/41/1002540041.db2.gz HIWSOFKUOGZCBR-UHFFFAOYSA-N 0 2 423.228 3.747 20 0 HHADLN COc1c(Cl)cccc1NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000499159521 1002544947 /nfs/dbraw/zinc/54/49/47/1002544947.db2.gz DLRCWCLSGAURSZ-UHFFFAOYSA-N 0 2 419.728 3.978 20 0 HHADLN Cc1ccc(Cl)c2sc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)nc21 ZINC000508087253 1002610321 /nfs/dbraw/zinc/61/03/21/1002610321.db2.gz FXHSOHGCRUAJNF-UHFFFAOYSA-N 0 2 412.924 3.607 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(s2)c(Cl)ccc3C)s1 ZINC000508090844 1002613940 /nfs/dbraw/zinc/61/39/40/1002613940.db2.gz YEOUUJCSRWOYAV-UHFFFAOYSA-N 0 2 402.906 3.907 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccccn2)s1)c1cc(F)ccc1Br ZINC000508097037 1002621814 /nfs/dbraw/zinc/62/18/14/1002621814.db2.gz SDFFJCQLVSZOKF-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN CCc1ccccc1S(=O)(=O)Nc1nnc(-c2cccc(Br)c2)o1 ZINC000508108216 1002633291 /nfs/dbraw/zinc/63/32/91/1002633291.db2.gz AGRVRMUCYXUZSV-UHFFFAOYSA-N 0 2 408.277 3.862 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)o2)cc1 ZINC000508111291 1002638848 /nfs/dbraw/zinc/63/88/48/1002638848.db2.gz USBBNWJYLLHBQB-UHFFFAOYSA-N 0 2 424.276 3.699 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)CSCC2)c1cc(Br)ccc1F ZINC000508126978 1002657313 /nfs/dbraw/zinc/65/73/13/1002657313.db2.gz WTZRWFGZTUKORG-UHFFFAOYSA-N 0 2 409.327 3.635 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3cccc(OC(F)F)c3)o2)c(C)s1 ZINC000508144583 1002679405 /nfs/dbraw/zinc/67/94/05/1002679405.db2.gz RQZBACHDZFQNRV-UHFFFAOYSA-N 0 2 401.416 3.817 20 0 HHADLN CSc1ccc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)cc1Cl ZINC000499279868 1002689576 /nfs/dbraw/zinc/68/95/76/1002689576.db2.gz FDBAKWXBWOSIPY-UHFFFAOYSA-N 0 2 403.316 3.867 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc(COC4CCCC4)cc3)cnc2c1Cl ZINC000499283511 1002694199 /nfs/dbraw/zinc/69/41/99/1002694199.db2.gz YSOFQVPJJSRCRU-UHFFFAOYSA-N 0 2 420.922 3.951 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2nnc(C[C@H](C)CC(C)(C)C)o2)c1 ZINC000508209570 1002741775 /nfs/dbraw/zinc/74/17/75/1002741775.db2.gz ZEHKLFVFIANWHY-ZDUSSCGKSA-N 0 2 411.524 3.640 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)cc2)o1)c1csc(-c2ccccc2)n1 ZINC000508217564 1002747818 /nfs/dbraw/zinc/74/78/18/1002747818.db2.gz WJCQDURRMWIZSG-UHFFFAOYSA-N 0 2 402.432 3.800 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)=N2)cc1 ZINC000499777472 1003114204 /nfs/dbraw/zinc/11/42/04/1003114204.db2.gz IEEJDYLXPQECJZ-UHFFFAOYSA-N 0 2 422.872 3.920 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCn4cccc4[C@@H]3c3ccccc3)=N2)cc1 ZINC000499782980 1003119233 /nfs/dbraw/zinc/11/92/33/1003119233.db2.gz ROUJLLAHTNIGCT-QHCPKHFHSA-N 0 2 414.465 3.633 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(C)Cc3csc(Br)c3)=N2)cc1 ZINC000499874474 1003210761 /nfs/dbraw/zinc/21/07/61/1003210761.db2.gz VLPOHOWUCGNBGM-UHFFFAOYSA-N 0 2 422.304 3.683 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000499885224 1003221121 /nfs/dbraw/zinc/22/11/21/1003221121.db2.gz FFBVOYFWAZRPHT-GOSISDBHSA-N 0 2 401.825 3.584 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000499885225 1003221394 /nfs/dbraw/zinc/22/13/94/1003221394.db2.gz FFBVOYFWAZRPHT-SFHVURJKSA-N 0 2 401.825 3.584 20 0 HHADLN COc1ccc(CC2CCN(C(=O)C3=NN(c4ccc(OC)cc4)CC3=O)CC2)cc1 ZINC000499925520 1003251424 /nfs/dbraw/zinc/25/14/24/1003251424.db2.gz DQQUYWFVFQUOBZ-UHFFFAOYSA-N 0 2 421.497 3.690 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)=N2)cc1 ZINC000499971825 1003289600 /nfs/dbraw/zinc/28/96/00/1003289600.db2.gz JLGQTGZYGSMYHL-UHFFFAOYSA-N 0 2 409.461 3.821 20 0 HHADLN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)C2=NN(c3ccc(F)cc3)CC2=O)cc1 ZINC000500114317 1003475863 /nfs/dbraw/zinc/47/58/63/1003475863.db2.gz QLGJWAYHVXBGAJ-OAQYLSRUSA-N 0 2 423.488 3.889 20 0 HHADLN CCCNC(=O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000500290814 1003602514 /nfs/dbraw/zinc/60/25/14/1003602514.db2.gz OSBSKQGIHGBIIN-UHFFFAOYSA-N 0 2 415.284 3.529 20 0 HHADLN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1nnc(Cc2ccc(F)cc2)o1 ZINC000509252251 1003655961 /nfs/dbraw/zinc/65/59/61/1003655961.db2.gz ATPMQNVYBMZHNV-UHFFFAOYSA-N 0 2 415.368 3.928 20 0 HHADLN Cc1occc1-c1nnc(NS(=O)(=O)c2ccc(Cl)cc2Br)o1 ZINC000500468635 1003734004 /nfs/dbraw/zinc/73/40/04/1003734004.db2.gz JADYSSHEXJLBCI-UHFFFAOYSA-N 0 2 418.656 3.855 20 0 HHADLN COc1cncc(S(=O)(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)c1 ZINC000500477303 1003738574 /nfs/dbraw/zinc/73/85/74/1003738574.db2.gz UCMPCYDMNLKPOI-AWEZNQCLSA-N 0 2 401.513 3.620 20 0 HHADLN CO[C@H]1CCC[C@@H](Oc2ccnc(NS(=O)(=O)c3cc(C)ccc3Cl)n2)C1 ZINC000500569282 1003789480 /nfs/dbraw/zinc/78/94/80/1003789480.db2.gz QHVUPGNZYVTNRB-UONOGXRCSA-N 0 2 411.911 3.576 20 0 HHADLN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2C)cc1OC ZINC000509376061 1003804387 /nfs/dbraw/zinc/80/43/87/1003804387.db2.gz NFLSZRBLQQKXHO-UHFFFAOYSA-N 0 2 410.801 3.880 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000511842785 1003820572 /nfs/dbraw/zinc/82/05/72/1003820572.db2.gz LNURROPGGUEPPQ-UHFFFAOYSA-N 0 2 412.368 3.554 20 0 HHADLN O=C1CCN1c1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)cc1 ZINC000509391409 1003821496 /nfs/dbraw/zinc/82/14/96/1003821496.db2.gz ZBHWBYJERHPVKJ-UHFFFAOYSA-N 0 2 415.696 3.640 20 0 HHADLN CCc1nc(C)c([C@H](C)N(C)C(=O)C2=NN(c3ccc(OC)cc3)CC2=O)s1 ZINC000500651240 1003865148 /nfs/dbraw/zinc/86/51/48/1003865148.db2.gz AEPKLDFUKDTLAT-ZDUSSCGKSA-N 0 2 400.504 3.747 20 0 HHADLN Cc1ccc(CN(CCc2ccccc2)C(=O)c2c[nH]c3c(cnn3C)c2=O)s1 ZINC000511957257 1003919767 /nfs/dbraw/zinc/91/97/67/1003919767.db2.gz UAAQBXLTIIRIIM-UHFFFAOYSA-N 0 2 406.511 3.929 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2C(F)(F)F)c(Cl)c1 ZINC000509560193 1003945655 /nfs/dbraw/zinc/94/56/55/1003945655.db2.gz XAKZTZYLACJQGN-UHFFFAOYSA-N 0 2 423.796 3.955 20 0 HHADLN CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1ccccc1OC(F)F ZINC000509632796 1003993898 /nfs/dbraw/zinc/99/38/98/1003993898.db2.gz BVVWHRFKCHVCPJ-UHFFFAOYSA-N 0 2 414.430 3.697 20 0 HHADLN O=C1CCCN1c1ccc(S(=O)(=O)Nc2nc3c(ccc(F)c3F)s2)cc1 ZINC000500853195 1004003325 /nfs/dbraw/zinc/00/33/25/1004003325.db2.gz RTTAQHMMXGXTSE-UHFFFAOYSA-N 0 2 409.439 3.502 20 0 HHADLN O=C(N[C@H]1CCCc2cn(C3CCCC3)nc21)C1=NN(c2ccc(F)cc2)CC1=O ZINC000509675081 1004021497 /nfs/dbraw/zinc/02/14/97/1004021497.db2.gz HTLUVZHWVHJGFF-SFHVURJKSA-N 0 2 409.465 3.836 20 0 HHADLN Cc1ccc(Cl)cc1C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1 ZINC000512263976 1004165154 /nfs/dbraw/zinc/16/51/54/1004165154.db2.gz BUAMRVXZVULFJJ-UHFFFAOYSA-N 0 2 408.892 3.553 20 0 HHADLN CO[C@H](C)c1nc(C)c(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)s1 ZINC000512286719 1004189454 /nfs/dbraw/zinc/18/94/54/1004189454.db2.gz DPKQOFGDDOAZQN-SECBINFHSA-N 0 2 422.308 3.959 20 0 HHADLN COc1cccc(-c2nsc(NS(=O)(=O)c3ccc(OC(C)C)c(C)c3)n2)c1 ZINC000512371722 1004253815 /nfs/dbraw/zinc/25/38/15/1004253815.db2.gz LVVIDOMLUMMQPY-UHFFFAOYSA-N 0 2 419.528 3.532 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2CN2CCNC2=O)c1Cl ZINC000510087309 1004314263 /nfs/dbraw/zinc/31/42/63/1004314263.db2.gz RVDNCVQWGUGWNS-UHFFFAOYSA-N 0 2 414.314 3.628 20 0 HHADLN Cc1ccn2ncc(C(=O)Nc3nc(-c4ccc(Br)cc4F)n[nH]3)c2c1 ZINC000501269649 1004324462 /nfs/dbraw/zinc/32/44/62/1004324462.db2.gz PSGIYLUKQFALGE-UHFFFAOYSA-N 0 2 415.226 3.582 20 0 HHADLN Cc1ccc(Sc2ncccc2C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1C ZINC000510270522 1004439455 /nfs/dbraw/zinc/43/94/55/1004439455.db2.gz NLDSQMHZFMATFV-OAHLLOKOSA-N 0 2 409.515 3.693 20 0 HHADLN Cc1ccc(Sc2ncccc2C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1C ZINC000510270521 1004439524 /nfs/dbraw/zinc/43/95/24/1004439524.db2.gz NLDSQMHZFMATFV-HNNXBMFYSA-N 0 2 409.515 3.693 20 0 HHADLN COc1c(F)cc(F)cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000512766001 1004547243 /nfs/dbraw/zinc/54/72/43/1004547243.db2.gz FPIQVVMLAKXQQR-UHFFFAOYSA-N 0 2 404.394 3.517 20 0 HHADLN Cc1cnc(COCC(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)o1 ZINC000512951536 1004721927 /nfs/dbraw/zinc/72/19/27/1004721927.db2.gz RUQSNTUZLNEEQM-UHFFFAOYSA-N 0 2 422.466 3.871 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1)c1cccs1 ZINC000501804886 1004746867 /nfs/dbraw/zinc/74/68/67/1004746867.db2.gz ZUBHHFBKHMHDNJ-UHFFFAOYSA-N 0 2 424.507 3.987 20 0 HHADLN Cn1cnnc1Sc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1Cl ZINC000501841488 1004770192 /nfs/dbraw/zinc/77/01/92/1004770192.db2.gz MUCJEIQMTABPLO-UHFFFAOYSA-N 0 2 416.862 3.699 20 0 HHADLN COc1ccc(CN2C[C@H](C(=O)Nc3cc(Cl)c(O)c(Cl)c3)CC2=O)cc1 ZINC000501987132 1004847201 /nfs/dbraw/zinc/84/72/01/1004847201.db2.gz VXLVBQSCKUEBFG-GFCCVEGCSA-N 0 2 409.269 3.695 20 0 HHADLN COc1ccc(-n2c(SCc3n[nH]c(=O)[nH]3)nnc2-c2ccccc2Cl)cc1 ZINC000513232698 1004873310 /nfs/dbraw/zinc/87/33/10/1004873310.db2.gz QOEFVYSEHDNYGN-UHFFFAOYSA-N 0 2 414.878 3.712 20 0 HHADLN O=C(CNC(=O)c1ccc(Br)s1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000502092919 1004899551 /nfs/dbraw/zinc/89/95/51/1004899551.db2.gz PJNXPFJPCSDELP-UHFFFAOYSA-N 0 2 424.103 3.892 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC(C2CCC2)C2CCC2)c(F)c1Cl ZINC000510972674 1004961037 /nfs/dbraw/zinc/96/10/37/1004961037.db2.gz ZQVYDUNVBHJQDD-UHFFFAOYSA-N 0 2 406.882 3.824 20 0 HHADLN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000511016188 1004981126 /nfs/dbraw/zinc/98/11/26/1004981126.db2.gz VYSUNWHINSVPGM-GFCCVEGCSA-N 0 2 410.503 3.693 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000513509989 1004997281 /nfs/dbraw/zinc/99/72/81/1004997281.db2.gz XHLUSXUTKCAFRW-CEXWTWQISA-N 0 2 406.511 3.663 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2ccc3[nH]c(C)cc3c2)c1 ZINC000502439242 1005076234 /nfs/dbraw/zinc/07/62/34/1005076234.db2.gz FVKGFPYRQCOKJB-UHFFFAOYSA-N 0 2 406.435 3.602 20 0 HHADLN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O ZINC000502459475 1005082550 /nfs/dbraw/zinc/08/25/50/1005082550.db2.gz WRPUZOQRYYBQEY-RXVVDRJESA-N 0 2 423.517 3.568 20 0 HHADLN CCCOc1cccc(NS(=O)(=O)c2cc(C(=O)OCC)cc(F)c2OC)c1 ZINC000502809850 1005226715 /nfs/dbraw/zinc/22/67/15/1005226715.db2.gz KDDVCVLJKCICMZ-UHFFFAOYSA-N 0 2 411.451 3.601 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2cccc(SCC)c2)c1 ZINC000502813957 1005228510 /nfs/dbraw/zinc/22/85/10/1005228510.db2.gz VWMJLERCONQZKO-UHFFFAOYSA-N 0 2 413.492 3.924 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)NCCCc3nc(-c4ccncc4)cs3)c[nH]c2n1 ZINC000503112256 1005350341 /nfs/dbraw/zinc/35/03/41/1005350341.db2.gz ZHTCWSNBTKKOPU-UHFFFAOYSA-N 0 2 405.483 3.525 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c1 ZINC000503246725 1005376238 /nfs/dbraw/zinc/37/62/38/1005376238.db2.gz OUYXEWRKCWBCPB-INIZCTEOSA-N 0 2 402.907 3.959 20 0 HHADLN Cc1nn(C)c2ncc(S(=O)(=O)Nc3cc(-c4ccccc4)nn3C(C)(C)C)cc12 ZINC000503966295 1005521525 /nfs/dbraw/zinc/52/15/25/1005521525.db2.gz VEUPJFFJIIPLIF-UHFFFAOYSA-N 0 2 424.530 3.696 20 0 HHADLN Cc1nn(C)c2ncc(S(=O)(=O)Nc3cc(-c4ccccc4)nn3CC(C)C)cc12 ZINC000503968152 1005522149 /nfs/dbraw/zinc/52/21/49/1005522149.db2.gz JRPJWWDMEMWFHM-UHFFFAOYSA-N 0 2 424.530 3.597 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2C)cc1OCC ZINC000503987833 1005526801 /nfs/dbraw/zinc/52/68/01/1005526801.db2.gz PZDHYWHOYITMNQ-UHFFFAOYSA-N 0 2 401.488 3.779 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccc(Cl)c(OC(F)F)c2)cc1OC ZINC000504021676 1005534360 /nfs/dbraw/zinc/53/43/60/1005534360.db2.gz FCOHOBIINCZKKH-UHFFFAOYSA-N 0 2 411.785 3.899 20 0 HHADLN O=C(C1=NN(c2ccccc2)CC1=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000504064393 1005544441 /nfs/dbraw/zinc/54/44/41/1005544441.db2.gz UNEJNYNIPBMZGO-UHFFFAOYSA-N 0 2 406.269 3.519 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N(C1CC1)C1CCCC1 ZINC000531144755 1006017278 /nfs/dbraw/zinc/01/72/78/1006017278.db2.gz JSPXFRIUXCWAHY-UHFFFAOYSA-N 0 2 406.533 3.883 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000531226056 1006057647 /nfs/dbraw/zinc/05/76/47/1006057647.db2.gz RSRAMVSPDYIEST-VIFPVBQESA-N 0 2 416.621 3.992 20 0 HHADLN O=C(Nc1cnn(-c2cnc3ccccc3n2)c1)c1cccc(Br)c1O ZINC000534106406 1006080668 /nfs/dbraw/zinc/08/06/68/1006080668.db2.gz NGKHKSZMFBUMOQ-UHFFFAOYSA-N 0 2 410.231 3.536 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cn(CC(C)C)nc2C(F)F)cc1Cl ZINC000534167262 1006150767 /nfs/dbraw/zinc/15/07/67/1006150767.db2.gz NDKVQBGXOFVOSV-UHFFFAOYSA-N 0 2 420.869 3.889 20 0 HHADLN COc1ccc(OC2CCN(C(=O)N=c3nc(-c4ccsc4)[nH]s3)CC2)cc1 ZINC000514839187 1006167056 /nfs/dbraw/zinc/16/70/56/1006167056.db2.gz LCVMNMGDWAPBCL-UHFFFAOYSA-N 0 2 416.528 3.772 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3cnc4ccsc4c3)s2)cc1 ZINC000534206464 1006199826 /nfs/dbraw/zinc/19/98/26/1006199826.db2.gz DYTDSNUXACPEHN-UHFFFAOYSA-N 0 2 404.498 3.624 20 0 HHADLN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O ZINC000531520003 1006249145 /nfs/dbraw/zinc/24/91/45/1006249145.db2.gz MHOXIMOFVVIXGE-QGZVFWFLSA-N 0 2 408.506 3.681 20 0 HHADLN COc1c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc(Cl)cc1C(N)=O ZINC000515225062 1006344822 /nfs/dbraw/zinc/34/48/22/1006344822.db2.gz XUSBSJKSGXJQIV-UHFFFAOYSA-N 0 2 409.678 3.555 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3F)s2)c(Cl)c1 ZINC000515344533 1006412682 /nfs/dbraw/zinc/41/26/82/1006412682.db2.gz OPWPWHYIFLJRET-UHFFFAOYSA-N 0 2 413.883 3.731 20 0 HHADLN Cc1c([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000531965626 1006550775 /nfs/dbraw/zinc/55/07/75/1006550775.db2.gz HUERDSPIWXEZQI-UQBPGWFLSA-N 0 2 421.564 3.959 20 0 HHADLN CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2ccsc2C(=O)OC)cc1 ZINC000515629817 1006567610 /nfs/dbraw/zinc/56/76/10/1006567610.db2.gz JEJSCMKYEDARII-UHFFFAOYSA-N 0 2 424.544 3.598 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2sc(C)nc2C)cc1Cl ZINC000532037850 1006592520 /nfs/dbraw/zinc/59/25/20/1006592520.db2.gz IZLSCRSNXXWTDD-UHFFFAOYSA-N 0 2 411.730 3.985 20 0 HHADLN C[C@@H]1CCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])C[C@@H]1n1cc[nH+]c1 ZINC000532091762 1006627063 /nfs/dbraw/zinc/62/70/63/1006627063.db2.gz LPBKVPDAOITBLB-CJNGLKHVSA-N 0 2 419.407 3.517 20 0 HHADLN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc2c(Cl)ccc(C)c2n1 ZINC000538367551 1006637512 /nfs/dbraw/zinc/63/75/12/1006637512.db2.gz IWDSKSFSLLLIMA-UHFFFAOYSA-N 0 2 424.931 3.709 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1Cl ZINC000534673192 1006650828 /nfs/dbraw/zinc/65/08/28/1006650828.db2.gz BMXHROZGNUBRRX-UHFFFAOYSA-N 0 2 415.805 3.741 20 0 HHADLN Cn1ccc2c1cccc2NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000532155829 1006679746 /nfs/dbraw/zinc/67/97/46/1006679746.db2.gz ZFUHQQXNKPDCOM-UHFFFAOYSA-N 0 2 412.496 3.688 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000538454774 1006724466 /nfs/dbraw/zinc/72/44/66/1006724466.db2.gz OUTDJISSUBWYHO-UHFFFAOYSA-N 0 2 402.925 3.973 20 0 HHADLN O=S(=O)(c1cccc(Cl)c1F)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000534742201 1006732025 /nfs/dbraw/zinc/73/20/25/1006732025.db2.gz MPSIGPQILVGXHQ-AWEZNQCLSA-N 0 2 406.870 3.790 20 0 HHADLN COc1cc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)sc1Br ZINC000534758151 1006754937 /nfs/dbraw/zinc/75/49/37/1006754937.db2.gz HDKZOVCSBYJMSX-UHFFFAOYSA-N 0 2 402.320 3.773 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2c(C)cccc2O)cc1Cl ZINC000538497129 1006765227 /nfs/dbraw/zinc/76/52/27/1006765227.db2.gz BTJCKVBTFVOONL-UHFFFAOYSA-N 0 2 406.685 3.926 20 0 HHADLN CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncc(Cc4ccccc4)s3)cc21 ZINC000532368076 1006825414 /nfs/dbraw/zinc/82/54/14/1006825414.db2.gz NDYFCQNJEZUCJA-UHFFFAOYSA-N 0 2 413.524 3.764 20 0 HHADLN COC[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000532482097 1006921203 /nfs/dbraw/zinc/92/12/03/1006921203.db2.gz NJFYGPIMMXDMTK-FCHUYYIVSA-N 0 2 421.507 3.971 20 0 HHADLN Cc1ccc2c([n-]cc(C(=O)N3CCC[C@H](c4nnc(C5CCCCC5)[nH]4)C3)c2=O)[nH+]1 ZINC000538653043 1006925325 /nfs/dbraw/zinc/92/53/25/1006925325.db2.gz SKVXUOVHVYLEQR-INIZCTEOSA-N 0 2 420.517 3.829 20 0 HHADLN Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)N(C)[C@H](c3ccccc3)c3ccc(F)cc3)C2)n1 ZINC000538665356 1006948150 /nfs/dbraw/zinc/94/81/50/1006948150.db2.gz YVYDZYIAWURUHJ-NFBKMPQASA-N 0 2 421.520 3.680 20 0 HHADLN O=C1CCCc2ccc(S(=O)(=O)Nc3c4c(nn3-c3ccccc3)CCC4)cc21 ZINC000516221753 1006957339 /nfs/dbraw/zinc/95/73/39/1006957339.db2.gz VTGVGHSRAFRXNS-UHFFFAOYSA-N 0 2 407.495 3.681 20 0 HHADLN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1cccc(Br)c1O ZINC000538784503 1007066309 /nfs/dbraw/zinc/06/63/09/1007066309.db2.gz VEPOLSTZAWJGLB-UHFFFAOYSA-N 0 2 407.264 3.508 20 0 HHADLN O=C(CNC(=O)NCc1ccc(Cl)cc1)Nc1cc(Cl)cc(Cl)c1O ZINC000538830394 1007102057 /nfs/dbraw/zinc/10/20/57/1007102057.db2.gz KZQGPIJKYGQWKR-UHFFFAOYSA-N 0 2 402.665 3.790 20 0 HHADLN CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)cc1 ZINC000538831061 1007103409 /nfs/dbraw/zinc/10/34/09/1007103409.db2.gz DQRNYDYYCFJOHH-UHFFFAOYSA-N 0 2 403.287 3.638 20 0 HHADLN CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1O)C2=O ZINC000538831102 1007104377 /nfs/dbraw/zinc/10/43/77/1007104377.db2.gz GVEGQMNYJJAVDX-UHFFFAOYSA-N 0 2 414.289 3.528 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(F)cc2)s1)c1cc(F)cc(Cl)c1 ZINC000535133587 1007172371 /nfs/dbraw/zinc/17/23/71/1007172371.db2.gz HZBRQDSIFFDUKW-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN CC(C)c1cc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c2cnn(C(C)C)c2n1 ZINC000535171244 1007214315 /nfs/dbraw/zinc/21/43/15/1007214315.db2.gz DEAAZFIIDCSQFO-UHFFFAOYSA-N 0 2 407.503 3.723 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc3c(c2)CCCO3)nc1C(C)C ZINC000538978286 1007270946 /nfs/dbraw/zinc/27/09/46/1007270946.db2.gz DLRVKKHPTIGELU-UHFFFAOYSA-N 0 2 410.517 3.569 20 0 HHADLN O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000535326637 1007379573 /nfs/dbraw/zinc/37/95/73/1007379573.db2.gz LZQXOLVNCGIALG-OAQYLSRUSA-N 0 2 413.525 3.998 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc1C1CC1 ZINC000535387777 1007453110 /nfs/dbraw/zinc/45/31/10/1007453110.db2.gz MXZXNNYTQWDAAF-UHFFFAOYSA-N 0 2 422.406 3.507 20 0 HHADLN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000535402900 1007471101 /nfs/dbraw/zinc/47/11/01/1007471101.db2.gz DTNJDAPSCDAPAF-UHFFFAOYSA-N 0 2 420.393 3.740 20 0 HHADLN COC(=O)Cc1occ(C)c1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000517162324 1007472405 /nfs/dbraw/zinc/47/24/05/1007472405.db2.gz HINLGOOGPOUBIA-UHFFFAOYSA-N 0 2 409.229 3.648 20 0 HHADLN CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1Cl ZINC000517170645 1007479616 /nfs/dbraw/zinc/47/96/16/1007479616.db2.gz LXQBMNPIXINDJF-UHFFFAOYSA-N 0 2 420.840 3.944 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cccc(Nc3nc(C)cs3)c2)c(C)o1 ZINC000533167370 1007505547 /nfs/dbraw/zinc/50/55/47/1007505547.db2.gz IYKFXTWZMRDLGT-UHFFFAOYSA-N 0 2 407.473 3.684 20 0 HHADLN CCOC(=O)c1ccn(-c2ccccc2NS(=O)(=O)c2cccc(Cl)c2F)n1 ZINC000517434437 1007656451 /nfs/dbraw/zinc/65/64/51/1007656451.db2.gz SCXXLVUCJZYRIA-UHFFFAOYSA-N 0 2 423.853 3.642 20 0 HHADLN CCC(=O)c1cccc(S(=O)(=O)Nc2nnc(-c3ccc(OC)cc3)s2)c1 ZINC000535654308 1007666968 /nfs/dbraw/zinc/66/69/68/1007666968.db2.gz GYTZXDQUNNFUHP-UHFFFAOYSA-N 0 2 403.485 3.607 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)c1C1CC1 ZINC000535684632 1007715799 /nfs/dbraw/zinc/71/57/99/1007715799.db2.gz AGNUOAUWYRKRGJ-NSHDSACASA-N 0 2 411.911 3.972 20 0 HHADLN O=S(=O)(c1cccc2cnccc21)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000535764552 1007778006 /nfs/dbraw/zinc/77/80/06/1007778006.db2.gz XAOJCMMDUGGASD-GOSISDBHSA-N 0 2 405.483 3.546 20 0 HHADLN Cc1ccccc1-n1nc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c2c1CCC2 ZINC000517607496 1007810896 /nfs/dbraw/zinc/81/08/96/1007810896.db2.gz RFOHSFKTCFWNIJ-UHFFFAOYSA-N 0 2 402.433 3.846 20 0 HHADLN Cc1cccc(C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)c1Cl ZINC000535885657 1007905252 /nfs/dbraw/zinc/90/52/52/1007905252.db2.gz PMMXDQROAJSXCQ-UHFFFAOYSA-N 0 2 408.892 3.553 20 0 HHADLN C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535930131 1007955401 /nfs/dbraw/zinc/95/54/01/1007955401.db2.gz MJYHESYGJRBKKK-JTQLQIEISA-N 0 2 421.295 3.741 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@H](C)c3ccc([S@](C)=O)cc3)=N2)cc1 ZINC000535954109 1007988699 /nfs/dbraw/zinc/98/86/99/1007988699.db2.gz MPNMHSXYNSEBMV-HOLBHBGLSA-N 0 2 411.527 3.930 20 0 HHADLN Cc1ccc(-n2ncc(C(=O)N=c3nc(-c4cccnc4)[nH]s3)c2C(C)C)cc1 ZINC000533723239 1008050086 /nfs/dbraw/zinc/05/00/86/1008050086.db2.gz GKEQIFFUCXACFK-UHFFFAOYSA-N 0 2 404.499 3.892 20 0 HHADLN O=S(=O)(NCc1n[nH]c(-c2ccc(F)cc2)n1)c1ccc(Cl)c(F)c1Cl ZINC000518032544 1008115544 /nfs/dbraw/zinc/11/55/44/1008115544.db2.gz PWXKYJISISQUQX-UHFFFAOYSA-N 0 2 419.240 3.535 20 0 HHADLN Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cc(Cl)cc(Cl)c2O)no1 ZINC000539932882 1008191361 /nfs/dbraw/zinc/19/13/61/1008191361.db2.gz YAGMVPQHLZSGRV-MRVPVSSYSA-N 0 2 404.275 3.694 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC(C)C)cc1F ZINC000518268187 1008234171 /nfs/dbraw/zinc/23/41/71/1008234171.db2.gz UDEJWLXVLWAFSI-UHFFFAOYSA-N 0 2 401.843 3.854 20 0 HHADLN Cc1c(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cnn1C(C)C ZINC000540031160 1008247142 /nfs/dbraw/zinc/24/71/42/1008247142.db2.gz ONUJBXPQAXVJRW-UHFFFAOYSA-N 0 2 407.247 3.711 20 0 HHADLN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3cnc(-c4ncccn4)s3)n2)cc1 ZINC000518399070 1008287873 /nfs/dbraw/zinc/28/78/73/1008287873.db2.gz QNGRVDRNTUQWFJ-UHFFFAOYSA-N 0 2 405.487 3.935 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccc2F)c(Br)c1 ZINC000518515160 1008334130 /nfs/dbraw/zinc/33/41/30/1008334130.db2.gz PCSBLRGRGJVIKJ-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN O=S(=O)(Nc1ccc(OCCO)cc1C(F)(F)F)c1cccc(Cl)c1F ZINC000518646740 1008377930 /nfs/dbraw/zinc/37/79/30/1008377930.db2.gz JGKOFWMGWUHEHH-UHFFFAOYSA-N 0 2 413.776 3.670 20 0 HHADLN CC(C)(C)c1nc2ccc(S(=O)(=O)Nc3ccccc3S(C)(=O)=O)cc2s1 ZINC000540334900 1008385472 /nfs/dbraw/zinc/38/54/72/1008385472.db2.gz ZAESCDGIOJDAKI-UHFFFAOYSA-N 0 2 424.569 3.798 20 0 HHADLN CC[C@H](C)n1c(SCc2n[nH]c(=O)[nH]2)nc2sc3c(c2c1=O)CCCCC3 ZINC000540347338 1008391505 /nfs/dbraw/zinc/39/15/05/1008391505.db2.gz AUENDECDABNZHB-JTQLQIEISA-N 0 2 405.549 3.814 20 0 HHADLN CC[C@@H](C)n1c(SCc2n[nH]c(=O)[nH]2)nc2sc3c(c2c1=O)CCCCC3 ZINC000540347349 1008391697 /nfs/dbraw/zinc/39/16/97/1008391697.db2.gz AUENDECDABNZHB-SNVBAGLBSA-N 0 2 405.549 3.814 20 0 HHADLN Cn1nc(CC(C)(C)C)cc1NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000518704559 1008398751 /nfs/dbraw/zinc/39/87/51/1008398751.db2.gz RMHVEWBIWALHJL-UHFFFAOYSA-N 0 2 406.552 3.794 20 0 HHADLN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc2oc(C)nc2c1 ZINC000518741230 1008409812 /nfs/dbraw/zinc/40/98/12/1008409812.db2.gz RARGNZCRTBMJQO-UHFFFAOYSA-N 0 2 414.361 3.742 20 0 HHADLN O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000518852873 1008446665 /nfs/dbraw/zinc/44/66/65/1008446665.db2.gz ZDEUCDYMLLETTN-UHFFFAOYSA-N 0 2 416.412 3.859 20 0 HHADLN COc1cc2c(cc1OC)CN(CC(=O)Nc1cc(Cl)cc(Cl)c1O)CC2 ZINC000545446960 1008559831 /nfs/dbraw/zinc/55/98/31/1008559831.db2.gz DCBBLEOPUURUJS-UHFFFAOYSA-N 0 2 411.285 3.713 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cnn1-c1ccccc1 ZINC000543024414 1008605871 /nfs/dbraw/zinc/60/58/71/1008605871.db2.gz QGQXSRHPIBRFLA-UHFFFAOYSA-N 0 2 412.515 3.608 20 0 HHADLN CN1C(=O)CCc2cc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)ccc21 ZINC000519216210 1008620889 /nfs/dbraw/zinc/62/08/89/1008620889.db2.gz DNEIOJUDCXKDEM-UHFFFAOYSA-N 0 2 402.369 3.554 20 0 HHADLN O=S(=O)(Cc1csc(-c2ccsc2)n1)c1n[nH]c(-c2ccccc2F)n1 ZINC000519303199 1008714246 /nfs/dbraw/zinc/71/42/46/1008714246.db2.gz VHUMXWSHOOTNCM-UHFFFAOYSA-N 0 2 406.489 3.770 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cc(NC(=O)C2CC2)ccc1C ZINC000543162635 1008736278 /nfs/dbraw/zinc/73/62/78/1008736278.db2.gz RZZHVVAWUGDEJV-UHFFFAOYSA-N 0 2 404.536 3.614 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000543164338 1008739811 /nfs/dbraw/zinc/73/98/11/1008739811.db2.gz ZFHUJGPSAVXEGS-UHFFFAOYSA-N 0 2 403.403 3.549 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1ccnc(SC)c1 ZINC000519372590 1008769998 /nfs/dbraw/zinc/76/99/98/1008769998.db2.gz FELPDJOPEACKFQ-GOSISDBHSA-N 0 2 410.543 3.656 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1ccc(C)cc1OCC(F)(F)F ZINC000545827727 1008912530 /nfs/dbraw/zinc/91/25/30/1008912530.db2.gz OMJMKWGRHHHPAM-UHFFFAOYSA-N 0 2 419.421 3.762 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1ccccc1OCc1cscn1 ZINC000545828840 1008913185 /nfs/dbraw/zinc/91/31/85/1008913185.db2.gz FMWLGVVEFIPNDY-UHFFFAOYSA-N 0 2 420.512 3.548 20 0 HHADLN CCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000549352717 1008932786 /nfs/dbraw/zinc/93/27/86/1008932786.db2.gz WZSXXGLUVCJIIK-UHFFFAOYSA-N 0 2 419.514 3.717 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1ccccc1Oc1ccncc1 ZINC000545859662 1008947362 /nfs/dbraw/zinc/94/73/62/1008947362.db2.gz YYXHLKQIUDBXHE-UHFFFAOYSA-N 0 2 400.456 3.700 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1nnc(-c2ccc(C)cc2C)s1 ZINC000545859942 1008947399 /nfs/dbraw/zinc/94/73/99/1008947399.db2.gz DMVQEZFRKVUHTF-UHFFFAOYSA-N 0 2 419.528 3.648 20 0 HHADLN C[C@@H](C(F)(F)F)S(=O)(=O)NC(Cc1ccccc1F)Cc1ccccc1F ZINC000546070772 1009092797 /nfs/dbraw/zinc/09/27/97/1009092797.db2.gz JXBAWXXYKNQDAM-LBPRGKRZSA-N 0 2 407.404 3.989 20 0 HHADLN CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000543580412 1009186404 /nfs/dbraw/zinc/18/64/04/1009186404.db2.gz OWXBZQHMTOGWNO-FZKQIMNGSA-N 0 2 421.463 3.886 20 0 HHADLN CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000543580412 1009186410 /nfs/dbraw/zinc/18/64/10/1009186410.db2.gz OWXBZQHMTOGWNO-FZKQIMNGSA-N 0 2 421.463 3.886 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C)CCc3ccc(Cl)cc3)s[nH]2)c1 ZINC000543617143 1009222826 /nfs/dbraw/zinc/22/28/26/1009222826.db2.gz QFPHXLOFVDOUFN-UHFFFAOYSA-N 0 2 402.907 3.995 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCC[C@@H]1C(=O)Nc2ccccc21 ZINC000543658131 1009265558 /nfs/dbraw/zinc/26/55/58/1009265558.db2.gz RCZJHNLXQWAVNV-LBPRGKRZSA-N 0 2 413.890 3.528 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(C3CCCC3)nn2C)cc1Br ZINC000543791299 1009359385 /nfs/dbraw/zinc/35/93/85/1009359385.db2.gz INHZAXMMLWMWFO-UHFFFAOYSA-N 0 2 414.325 3.650 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc([C@@H](CC)c3ccccc3)s2)cn1 ZINC000543792390 1009359548 /nfs/dbraw/zinc/35/95/48/1009359548.db2.gz UCXICCZOTSGQAG-HNNXBMFYSA-N 0 2 404.517 3.675 20 0 HHADLN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ncc(C3CCCCC3)s2)cc1 ZINC000543855534 1009420575 /nfs/dbraw/zinc/42/05/75/1009420575.db2.gz BNVCSAHZOFULOG-UHFFFAOYSA-N 0 2 414.574 3.785 20 0 HHADLN Nc1nccc([C@H]2CCCN(C(=O)c3cc(-c4ccccc4)cc(Cl)c3O)C2)n1 ZINC000549825074 1009434895 /nfs/dbraw/zinc/43/48/95/1009434895.db2.gz YNERBOJXHQMPLE-HNNXBMFYSA-N 0 2 408.889 4.105 20 0 HHADLN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1NS(=O)(=O)c1cn[nH]c1 ZINC000520465749 1009575610 /nfs/dbraw/zinc/57/56/10/1009575610.db2.gz KUGQKMXFMZKFFY-UHFFFAOYSA-N 0 2 424.404 3.790 20 0 HHADLN Cc1noc(C)c1CO[C@@H]1CCN(C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)C1 ZINC000546566843 1009589275 /nfs/dbraw/zinc/58/92/75/1009589275.db2.gz SWESVTQHWHJGEH-LJQANCHMSA-N 0 2 424.501 3.737 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC000546568120 1009590760 /nfs/dbraw/zinc/59/07/60/1009590760.db2.gz ZNAHYFVWUNYJSI-UHFFFAOYSA-N 0 2 419.528 3.648 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000544099251 1009709711 /nfs/dbraw/zinc/70/97/11/1009709711.db2.gz KQRMVSDGMWGGCO-UHFFFAOYSA-N 0 2 417.560 3.898 20 0 HHADLN COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000520636794 1009713265 /nfs/dbraw/zinc/71/32/65/1009713265.db2.gz CEXXDULRDVFRGD-UHFFFAOYSA-N 0 2 420.270 3.598 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2cc(C3CCCC3)nn2C)c1 ZINC000546876929 1009838549 /nfs/dbraw/zinc/83/85/49/1009838549.db2.gz GFZPCXDOKIFRJD-UHFFFAOYSA-N 0 2 414.325 3.650 20 0 HHADLN CC(C)(C)c1csc(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)n1 ZINC000550405619 1009913751 /nfs/dbraw/zinc/91/37/51/1009913751.db2.gz ZDROQUWSJGQQIF-UHFFFAOYSA-N 0 2 421.466 3.534 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1nnc(C(C)C)s1 ZINC000550419325 1009922194 /nfs/dbraw/zinc/92/21/94/1009922194.db2.gz QPGBMVLJROUIIQ-MRXNPFEDSA-N 0 2 413.547 3.514 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3C[C@@H](C)C[C@@H]3c3cccc(OC)c3)=N2)cc1 ZINC000544322164 1009945930 /nfs/dbraw/zinc/94/59/30/1009945930.db2.gz KNJIZGVTTWAENL-MGPUTAFESA-N 0 2 407.470 3.818 20 0 HHADLN OC(=Cc1csc(-c2ccccn2)n1)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000520966940 1010010923 /nfs/dbraw/zinc/01/09/23/1010010923.db2.gz QFBYCZPGDZNCJV-UHFFFAOYSA-N 0 2 413.915 3.980 20 0 HHADLN CC(C)C(=O)Nc1cc(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)ccn1 ZINC000550571499 1010035409 /nfs/dbraw/zinc/03/54/09/1010035409.db2.gz AXVNWDMXPKUQHH-UHFFFAOYSA-N 0 2 401.879 3.522 20 0 HHADLN C[C@@H](CC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)NC(=O)C1CCCCC1 ZINC000521085411 1010101440 /nfs/dbraw/zinc/10/14/40/1010101440.db2.gz UEBAWCPQEAMOHT-LBPRGKRZSA-N 0 2 406.939 3.694 20 0 HHADLN COc1cccc(OC)c1OCc1noc(-c2cccc(Br)c2O)n1 ZINC000547193033 1010136736 /nfs/dbraw/zinc/13/67/36/1010136736.db2.gz YIAXPVLRVJRIAO-UHFFFAOYSA-N 0 2 407.220 3.801 20 0 HHADLN COCc1nc2scc(-c3ccccc3)c2c(N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)n1 ZINC000550736302 1010141560 /nfs/dbraw/zinc/14/15/60/1010141560.db2.gz JLVAPYMCPOJNSI-AWEZNQCLSA-N 0 2 422.514 3.712 20 0 HHADLN CN(C(=O)C1=NN(c2ccc(F)cc2)CC1=O)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000544573710 1010202304 /nfs/dbraw/zinc/20/23/04/1010202304.db2.gz UENGERNYQPDFTL-ICSRJNTNSA-N 0 2 413.424 3.848 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)=N1 ZINC000544584224 1010210522 /nfs/dbraw/zinc/21/05/22/1010210522.db2.gz RZJZIDZDLWMGPJ-FXAWDEMLSA-N 0 2 413.424 3.815 20 0 HHADLN Cc1cccc(CS(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c1 ZINC000547267380 1010214564 /nfs/dbraw/zinc/21/45/64/1010214564.db2.gz GCGNWIFOGGOGHG-UHFFFAOYSA-N 0 2 413.524 3.945 20 0 HHADLN Cc1cc(CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)ccc1Cl ZINC000544601115 1010227681 /nfs/dbraw/zinc/22/76/81/1010227681.db2.gz WDZIYLSTWOWVTG-UHFFFAOYSA-N 0 2 421.931 3.836 20 0 HHADLN CCn1cc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c(=O)c2cc(Cl)ccc21 ZINC000544628954 1010252471 /nfs/dbraw/zinc/25/24/71/1010252471.db2.gz YSZCEXJEXZUHAL-UHFFFAOYSA-N 0 2 411.824 3.851 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000544634959 1010258343 /nfs/dbraw/zinc/25/83/43/1010258343.db2.gz DARZANLYKPSIGI-KRWDZBQOSA-N 0 2 414.918 3.756 20 0 HHADLN CC[C@@H]1CN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)[C@H](CC)CN1C(C)=O ZINC000544635615 1010259003 /nfs/dbraw/zinc/25/90/03/1010259003.db2.gz NRKMCVPJDWUIRC-HZPDHXFCSA-N 0 2 421.954 3.534 20 0 HHADLN CC[C@@H]1CN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)[C@H](CC)CN1C(C)=O ZINC000544635438 1010259355 /nfs/dbraw/zinc/25/93/55/1010259355.db2.gz KWOOUCKIHMLQPB-ZIAGYGMSSA-N 0 2 421.954 3.534 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000544636624 1010260422 /nfs/dbraw/zinc/26/04/22/1010260422.db2.gz TWMLCWBCHCHFJB-GFCCVEGCSA-N 0 2 424.979 3.847 20 0 HHADLN CCc1[nH]nc(NS(=O)(=O)Cc2ccc(F)cc2F)c1-c1ccc2c(c1)OCO2 ZINC000544664319 1010282921 /nfs/dbraw/zinc/28/29/21/1010282921.db2.gz JMSBPGFVVUUWHU-UHFFFAOYSA-N 0 2 421.425 3.588 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cc(Br)ccc2Cl)nc2c1CCCC2 ZINC000544675301 1010290868 /nfs/dbraw/zinc/29/08/68/1010290868.db2.gz FFODSJORUAZQQN-UHFFFAOYSA-N 0 2 416.728 3.881 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N3CCc4c(Br)ccc(F)c4C3)c[nH]c2n1 ZINC000544690542 1010303200 /nfs/dbraw/zinc/30/32/00/1010303200.db2.gz BCICAAHFPVXQIG-UHFFFAOYSA-N 0 2 416.250 3.744 20 0 HHADLN O=S(=O)(Nc1ncn(Cc2ccccc2)n1)c1ccc(Cl)c(F)c1Cl ZINC000551017201 1010318417 /nfs/dbraw/zinc/31/84/17/1010318417.db2.gz CSGRIMOVBPQETL-UHFFFAOYSA-N 0 2 401.250 3.573 20 0 HHADLN COCn1nc(C)c(S(=O)(=O)Nc2ncc(-c3ccc(C)cc3C)s2)c1C ZINC000551019139 1010321651 /nfs/dbraw/zinc/32/16/51/1010321651.db2.gz YIZTZBSGFIVARK-UHFFFAOYSA-N 0 2 406.533 3.645 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000547528458 1010339865 /nfs/dbraw/zinc/33/98/65/1010339865.db2.gz SUNSWSHGGBMVAV-LBPRGKRZSA-N 0 2 404.492 3.915 20 0 HHADLN COc1ccc(C[C@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)c2ccc(OC)cc2)cc1 ZINC000544747231 1010351575 /nfs/dbraw/zinc/35/15/75/1010351575.db2.gz AQVOAXALUSUUEU-UGSOOPFHSA-N 0 2 417.449 3.858 20 0 HHADLN Cc1ccnc2c1cccc2S(=O)(=O)Nc1ccccc1Sc1nncn1C ZINC000547631551 1010372369 /nfs/dbraw/zinc/37/23/69/1010372369.db2.gz YYQHUIKAEMUFJS-UHFFFAOYSA-N 0 2 411.512 3.624 20 0 HHADLN CCOc1c(Cl)cc(NS(=O)(=O)c2cnn(CC(F)F)c2)cc1Cl ZINC000551107547 1010373365 /nfs/dbraw/zinc/37/33/65/1010373365.db2.gz VPJHGVCZZFOVRA-UHFFFAOYSA-N 0 2 400.234 3.655 20 0 HHADLN Cc1cccc(N2C(=O)N[C@@H](CCC(=O)Nc3cc(Cl)cc(Cl)c3O)C2=O)c1 ZINC000544813826 1010407008 /nfs/dbraw/zinc/40/70/08/1010407008.db2.gz PCHVMEHMWNQAJD-AWEZNQCLSA-N 0 2 422.268 3.851 20 0 HHADLN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)Nc1cc(Cl)cc(Cl)c1O ZINC000544813780 1010407202 /nfs/dbraw/zinc/40/72/02/1010407202.db2.gz KXMPOWSJKPDMEO-UHFFFAOYSA-N 0 2 423.705 3.660 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccnc(Oc2ccccc2)c1 ZINC000547785338 1010425973 /nfs/dbraw/zinc/42/59/73/1010425973.db2.gz GBOLLOMRUPJPFP-UHFFFAOYSA-N 0 2 401.426 3.501 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2cn(C)nc2-c2ccccc2)c1 ZINC000544843677 1010429992 /nfs/dbraw/zinc/42/99/92/1010429992.db2.gz RBKHKRQNAVVBAA-UHFFFAOYSA-N 0 2 422.304 3.659 20 0 HHADLN Cc1ccnc2c1cccc2S(=O)(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000547954013 1010481064 /nfs/dbraw/zinc/48/10/64/1010481064.db2.gz VPWPNBYWSATESQ-UHFFFAOYSA-N 0 2 418.478 3.991 20 0 HHADLN Cc1ccnc2c1cccc2S(=O)(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC000547954894 1010481137 /nfs/dbraw/zinc/48/11/37/1010481137.db2.gz ASJLURMIMHZKOT-UHFFFAOYSA-N 0 2 422.514 3.617 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(C(C)C)cs2)cc1C(F)(F)F ZINC000551390387 1010556177 /nfs/dbraw/zinc/55/61/77/1010556177.db2.gz ZAYWPDNJQARHFP-UHFFFAOYSA-N 0 2 408.423 3.873 20 0 HHADLN O=S(=O)(Nc1ncn(Cc2ccccc2)n1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000548282330 1010578827 /nfs/dbraw/zinc/57/88/27/1010578827.db2.gz VRXNPOKKGVBSEY-UHFFFAOYSA-N 0 2 416.812 3.799 20 0 HHADLN Cc1ccnc2c1cccc2S(=O)(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1 ZINC000548282821 1010579274 /nfs/dbraw/zinc/57/92/74/1010579274.db2.gz BRELIIPTYAGRBN-UHFFFAOYSA-N 0 2 403.891 3.699 20 0 HHADLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1cnn(-c2ccccc2F)c1C ZINC000551466401 1010602460 /nfs/dbraw/zinc/60/24/60/1010602460.db2.gz IJTJJXSFDXAORX-UHFFFAOYSA-N 0 2 423.853 3.561 20 0 HHADLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1ccc(OC(C)C)c(OC)c1 ZINC000551468223 1010604652 /nfs/dbraw/zinc/60/46/52/1010604652.db2.gz ZHJQZVYRLHIESM-UHFFFAOYSA-N 0 2 413.879 3.723 20 0 HHADLN COc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000551472336 1010607856 /nfs/dbraw/zinc/60/78/56/1010607856.db2.gz QLFAVZHQYYCCJY-UHFFFAOYSA-N 0 2 410.923 3.975 20 0 HHADLN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000548402079 1010614838 /nfs/dbraw/zinc/61/48/38/1010614838.db2.gz CHJWABGKOVBBMI-UHFFFAOYSA-N 0 2 400.229 3.612 20 0 HHADLN COc1cc(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc(OC)c1OC ZINC000521935309 1010723120 /nfs/dbraw/zinc/72/31/20/1010723120.db2.gz NANZAOUVEHRXQF-UHFFFAOYSA-N 0 2 405.863 3.559 20 0 HHADLN CCOC(=O)c1c(C)[nH]c(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c1C ZINC000521935855 1010723818 /nfs/dbraw/zinc/72/38/18/1010723818.db2.gz IIGDVIIUDXTMBR-UHFFFAOYSA-N 0 2 404.879 3.654 20 0 HHADLN Cc1ccccc1-n1nccc1NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000522225846 1010875696 /nfs/dbraw/zinc/87/56/96/1010875696.db2.gz NLPZBEAZOAJXFK-UHFFFAOYSA-N 0 2 412.515 3.966 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1nc2c(cc(F)c(F)c2F)s1 ZINC000522437070 1011012292 /nfs/dbraw/zinc/01/22/92/1011012292.db2.gz KWAWVFIIAZMJJL-UHFFFAOYSA-N 0 2 404.439 3.909 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)NCc2cccc(NC(=O)C3CCCC3)c2)s[nH]1 ZINC000522616736 1011115752 /nfs/dbraw/zinc/11/57/52/1011115752.db2.gz AMHGXYNFHBOSTL-UHFFFAOYSA-N 0 2 401.536 3.708 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)c1cccc(F)c1 ZINC000536178596 1011312578 /nfs/dbraw/zinc/31/25/78/1011312578.db2.gz OPMDKSXCRGXOHK-UHFFFAOYSA-N 0 2 415.368 3.770 20 0 HHADLN CCc1ccc2nc(NS(=O)(=O)c3cnn(-c4ccccc4OC)c3)sc2c1 ZINC000536460271 1011679944 /nfs/dbraw/zinc/67/99/44/1011679944.db2.gz PFBMVYOWASAHGQ-UHFFFAOYSA-N 0 2 414.512 3.854 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)nc1C(C)C ZINC000541072635 1011712801 /nfs/dbraw/zinc/71/28/01/1011712801.db2.gz DBWOIRIDVIOZEY-UHFFFAOYSA-N 0 2 423.438 3.658 20 0 HHADLN Cc1ccc(S(=O)(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1C(F)(F)F ZINC000523322102 1011798063 /nfs/dbraw/zinc/79/80/63/1011798063.db2.gz VPFYLKHXKINVBI-UHFFFAOYSA-N 0 2 417.434 3.545 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1ccnc(C2CC2)c1 ZINC000541253465 1011936159 /nfs/dbraw/zinc/93/61/59/1011936159.db2.gz REZKZEWPDDAHRI-UHFFFAOYSA-N 0 2 402.227 3.898 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000541305072 1012009568 /nfs/dbraw/zinc/00/95/68/1012009568.db2.gz GYBWSSHDUXGRCX-UHFFFAOYSA-N 0 2 405.520 3.998 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cccc(C(=O)OC)c2)cnn1-c1cccc(F)c1 ZINC000541307126 1012013335 /nfs/dbraw/zinc/01/33/35/1012013335.db2.gz QVWBUIUVMIEDKY-UHFFFAOYSA-N 0 2 417.462 3.551 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1oc(CC2CC2)nc1C ZINC000551917419 1012023073 /nfs/dbraw/zinc/02/30/73/1012023073.db2.gz JYCORRJKQSOJMS-LJQANCHMSA-N 0 2 422.529 3.788 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000551946789 1012030225 /nfs/dbraw/zinc/03/02/25/1012030225.db2.gz AHFNBKUXVAGXNU-UHFFFAOYSA-N 0 2 408.849 3.636 20 0 HHADLN COC(=O)c1cccc(CS(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 ZINC000536902084 1012161429 /nfs/dbraw/zinc/16/14/29/1012161429.db2.gz UUJQKTUZRXYUCM-UHFFFAOYSA-N 0 2 420.487 3.602 20 0 HHADLN O=S(=O)(Nc1ccc(Br)c2ccccc12)c1cnn([C@H]2CCOC2)c1 ZINC000536902205 1012162148 /nfs/dbraw/zinc/16/21/48/1012162148.db2.gz SQYMFRUXFAPMDG-LBPRGKRZSA-N 0 2 422.304 3.561 20 0 HHADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)cc1OCC(F)F ZINC000536904342 1012165046 /nfs/dbraw/zinc/16/50/46/1012165046.db2.gz JFMYQOMHXLYTRM-UHFFFAOYSA-N 0 2 423.796 3.710 20 0 HHADLN O=C([C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000552207706 1012219317 /nfs/dbraw/zinc/21/93/17/1012219317.db2.gz BBHSGVRBIHJIAQ-GJZGRUSLSA-N 0 2 409.515 3.576 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1ccnc(Oc2ccc(F)cc2F)c1 ZINC000552278616 1012291137 /nfs/dbraw/zinc/29/11/37/1012291137.db2.gz DKEFVFIBKBCLFI-UHFFFAOYSA-N 0 2 409.352 3.895 20 0 HHADLN CC(C)Oc1nc(C(F)(F)F)ccc1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552279768 1012293218 /nfs/dbraw/zinc/29/32/18/1012293218.db2.gz FRYQTQGKWLLLNH-UHFFFAOYSA-N 0 2 407.352 3.631 20 0 HHADLN CC(C)Oc1cc(Br)cc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)c1 ZINC000552281137 1012293501 /nfs/dbraw/zinc/29/35/01/1012293501.db2.gz IFSBOKNVWKWWQQ-UHFFFAOYSA-N 0 2 417.263 3.979 20 0 HHADLN O=S(=O)(Nc1cc(F)c(Br)c(F)c1)c1ccc(F)c(F)c1F ZINC000536993902 1012294874 /nfs/dbraw/zinc/29/48/74/1012294874.db2.gz PASYPBILMMGOLE-UHFFFAOYSA-N 0 2 402.138 3.945 20 0 HHADLN CC(C)(C)[S@@](=O)Cc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000523834015 1012522900 /nfs/dbraw/zinc/52/29/00/1012522900.db2.gz KVWOSVPBSJHGTC-VWLOTQADSA-N 0 2 405.463 3.952 20 0 HHADLN Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c1Cl ZINC000537184504 1012593785 /nfs/dbraw/zinc/59/37/85/1012593785.db2.gz TWUGATQPMVSSLQ-OAHLLOKOSA-N 0 2 402.907 3.959 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cccc(-n2ccc(C(F)(F)F)n2)c1 ZINC000552604125 1012605442 /nfs/dbraw/zinc/60/54/42/1012605442.db2.gz RDGFITPBSSNYNQ-UHFFFAOYSA-N 0 2 414.347 3.634 20 0 HHADLN CCc1c(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cnn1-c1ccc(Cl)cc1 ZINC000552604169 1012605717 /nfs/dbraw/zinc/60/57/17/1012605717.db2.gz UFRUEOMZADGVAP-UHFFFAOYSA-N 0 2 408.849 3.831 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(Cc3ccccc3OC)C3CC3)s[nH]2)c1 ZINC000541757710 1012617846 /nfs/dbraw/zinc/61/78/46/1012617846.db2.gz DOMJRQOHACORIY-UHFFFAOYSA-N 0 2 410.499 3.841 20 0 HHADLN Cc1nc(COc2cccc(C(=O)Nc3cccc(-c4n[nH]c(=O)[nH]4)c3)c2)cs1 ZINC000552624371 1012625953 /nfs/dbraw/zinc/62/59/53/1012625953.db2.gz GJASPTDGZWETDU-UHFFFAOYSA-N 0 2 407.455 3.774 20 0 HHADLN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552624662 1012627438 /nfs/dbraw/zinc/62/74/38/1012627438.db2.gz RMLVGJHBJAWJSV-UHFFFAOYSA-N 0 2 422.876 3.945 20 0 HHADLN CCc1ccc([C@@H](CO)NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1 ZINC000541797164 1012673951 /nfs/dbraw/zinc/67/39/51/1012673951.db2.gz QEGJFSDSMIJVFJ-MRXNPFEDSA-N 0 2 402.907 3.698 20 0 HHADLN Cc1nc(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)nc2ccccc12 ZINC000541797811 1012675507 /nfs/dbraw/zinc/67/55/07/1012675507.db2.gz QGXKGJMHBFYCOE-UHFFFAOYSA-N 0 2 410.890 3.854 20 0 HHADLN Cn1cncc1Cc1nc(=O)c2sc(-c3cccc(Br)c3)cc2[nH]1 ZINC000541802879 1012682825 /nfs/dbraw/zinc/68/28/25/1012682825.db2.gz RNJUKYWWLPVMQN-UHFFFAOYSA-N 0 2 401.289 3.738 20 0 HHADLN O=S(=O)(Nc1cnn(CC(F)(F)F)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000524018214 1012764753 /nfs/dbraw/zinc/76/47/53/1012764753.db2.gz KCHRIUKDMGYXLL-UHFFFAOYSA-N 0 2 407.723 3.918 20 0 HHADLN O=C(N[C@@H](c1cncc(Br)c1)C1CC1)C1=NN(c2ccccc2)CC1=O ZINC000552763286 1012770553 /nfs/dbraw/zinc/77/05/53/1012770553.db2.gz ZRIDFIPFGFAYLX-QGZVFWFLSA-N 0 2 413.275 3.617 20 0 HHADLN CN(C)c1cccc(NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)n1 ZINC000541935501 1012796671 /nfs/dbraw/zinc/79/66/71/1012796671.db2.gz UMGTYSMECAVFQO-UHFFFAOYSA-N 0 2 407.442 3.746 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)s2)c(C)o1 ZINC000537352231 1012819205 /nfs/dbraw/zinc/81/92/05/1012819205.db2.gz GSIGIGJDDPYMNR-UHFFFAOYSA-N 0 2 414.306 3.978 20 0 HHADLN CCOc1cc2c(cc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1)O[C@@H](C)C2 ZINC000542007805 1012890685 /nfs/dbraw/zinc/89/06/85/1012890685.db2.gz XDRSXLSZVDTLJN-JTQLQIEISA-N 0 2 402.394 3.623 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc(COCCOC(C)C)c1 ZINC000524187921 1012991491 /nfs/dbraw/zinc/99/14/91/1012991491.db2.gz LTOSBDPEZNFPFT-UHFFFAOYSA-N 0 2 409.552 3.823 20 0 HHADLN CCOC(=O)c1sc2ncc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2c1C ZINC000524207683 1013014475 /nfs/dbraw/zinc/01/44/75/1013014475.db2.gz MFNMZHSSPHVVKU-UHFFFAOYSA-N 0 2 420.512 3.899 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000729665961 1071780575 /nfs/dbraw/zinc/78/05/75/1071780575.db2.gz ODKSRFLRZMYZKU-UHFFFAOYSA-N 0 2 424.450 3.760 20 0 HHADLN CCN1CCc2ccc(NS(=O)(=O)c3cc(Cl)c(NC(C)=O)cc3F)cc21 ZINC000729665819 1071781159 /nfs/dbraw/zinc/78/11/59/1071781159.db2.gz NELMUNDYENEDGX-UHFFFAOYSA-N 0 2 411.886 3.621 20 0 HHADLN COCc1nnc([C@H]2CCCCN2C(=O)c2ccc(OC3CCC3)cc2Cl)[nH]1 ZINC000569563783 1072025212 /nfs/dbraw/zinc/02/52/12/1072025212.db2.gz JAGGUGYRJJCWLO-QGZVFWFLSA-N 0 2 404.898 3.903 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cc(-c3nc(C)co3)ccc2C)c(OC)c1 ZINC000488226977 1072147882 /nfs/dbraw/zinc/14/78/82/1072147882.db2.gz DORDSFXKFDVWKT-UHFFFAOYSA-N 0 2 418.471 3.785 20 0 HHADLN COc1cc(CN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)C2CC2)ccc1O ZINC000460109527 1072208510 /nfs/dbraw/zinc/20/85/10/1072208510.db2.gz CNXVLZCZMRSLGN-UHFFFAOYSA-N 0 2 402.501 3.599 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)ccc1Cl ZINC000760322781 1072247680 /nfs/dbraw/zinc/24/76/80/1072247680.db2.gz MXFYQSJXHWSYGG-UHFFFAOYSA-N 0 2 415.905 3.507 20 0 HHADLN O=C(N[C@@H]1CCCc2occc21)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000913090551 1072327334 /nfs/dbraw/zinc/32/73/34/1072327334.db2.gz OFVMBAWFWOSWQL-QGZVFWFLSA-N 0 2 421.478 3.727 20 0 HHADLN COC(=O)c1n[nH]c2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc21 ZINC000913204972 1072347866 /nfs/dbraw/zinc/34/78/66/1072347866.db2.gz TWSZAFGMIHABCR-UHFFFAOYSA-N 0 2 406.272 3.519 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NCc3ccccc3COC(C)C)cc2[nH]c1=S ZINC000913504839 1072395930 /nfs/dbraw/zinc/39/59/30/1072395930.db2.gz UVKYQMFJVFTOFO-UHFFFAOYSA-N 0 2 411.527 3.560 20 0 HHADLN C[C@H]1CN(c2ccc(NS(=O)(=O)c3cc(F)c(F)cc3F)cc2F)C[C@H](C)O1 ZINC000729835636 1072404710 /nfs/dbraw/zinc/40/47/10/1072404710.db2.gz GTEQWHGMDGCZRU-QWRGUYRKSA-N 0 2 418.412 3.657 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2ccnn2C2CCCCC2)c1 ZINC000760512890 1072466186 /nfs/dbraw/zinc/46/61/86/1072466186.db2.gz ZMGYVAPTZJFXOI-UHFFFAOYSA-N 0 2 414.325 3.960 20 0 HHADLN CCCc1ncc(C(=O)NCC[C@H]2C(=O)N(Cc3ccccc3C)N=C2CC)s1 ZINC000571015785 1072531226 /nfs/dbraw/zinc/53/12/26/1072531226.db2.gz POBTYILJPWXGMN-QGZVFWFLSA-N 0 2 412.559 3.949 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)o2)c1 ZINC000571625957 1072685888 /nfs/dbraw/zinc/68/58/88/1072685888.db2.gz QLJFDCGCUFUXMF-UHFFFAOYSA-N 0 2 421.862 3.594 20 0 HHADLN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1ncn(C2CCCCC2)n1 ZINC000479123233 1072760008 /nfs/dbraw/zinc/76/00/08/1072760008.db2.gz GGVJNCONCIEDKX-UHFFFAOYSA-N 0 2 417.304 3.794 20 0 HHADLN CCCc1cnc(NS(=O)(=O)c2cc(Cl)ccc2OCCCOC)s1 ZINC000479148618 1072771617 /nfs/dbraw/zinc/77/16/17/1072771617.db2.gz WIPKWXOGFQVYEG-UHFFFAOYSA-N 0 2 404.941 3.965 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC[C@@]3(C)Cc3ccc(F)cc3)=N2)cc1 ZINC001142578131 1072866930 /nfs/dbraw/zinc/86/69/30/1072866930.db2.gz NVVLRDQGJXALTK-QHCPKHFHSA-N 0 2 409.461 3.963 20 0 HHADLN Cc1ccc2c(c1)nc(CNC(=O)N=c1nc(-c3cccc(Cl)c3)[nH]s1)n2C ZINC000554910394 1072957484 /nfs/dbraw/zinc/95/74/84/1072957484.db2.gz INMQFLYELFTTGN-UHFFFAOYSA-N 0 2 412.906 3.797 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)c1cc(F)c[nH]1 ZINC000555284984 1073307688 /nfs/dbraw/zinc/30/76/88/1073307688.db2.gz OEGXGZMBDBVDEQ-UHFFFAOYSA-N 0 2 411.817 3.999 20 0 HHADLN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000588855137 1073308680 /nfs/dbraw/zinc/30/86/80/1073308680.db2.gz HHROFRAYICCRBJ-UHFFFAOYSA-N 0 2 419.833 3.880 20 0 HHADLN CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc3nn[nH]c3c2)(c2ccccc2)CC1 ZINC000760715318 1073333442 /nfs/dbraw/zinc/33/34/42/1073333442.db2.gz YONAFUUQJQRXAZ-UHFFFAOYSA-N 0 2 421.501 3.865 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1C ZINC000589962022 1073407379 /nfs/dbraw/zinc/40/73/79/1073407379.db2.gz ZVVDREPJBGLMAY-UHFFFAOYSA-N 0 2 407.341 3.620 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)s[nH]1 ZINC000589937724 1073422979 /nfs/dbraw/zinc/42/29/79/1073422979.db2.gz STASDGUDQZJCDK-SFHVURJKSA-N 0 2 412.481 3.651 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccn3)c2)c2ccccc12 ZINC000589148861 1073462492 /nfs/dbraw/zinc/46/24/92/1073462492.db2.gz BTNNFBUIHBCABX-UHFFFAOYSA-N 0 2 408.483 3.679 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)CCc1nc(-c2ccc(F)c(C)c2)no1 ZINC000555534423 1073598918 /nfs/dbraw/zinc/59/89/18/1073598918.db2.gz FWZMAPJVUPQCFJ-UHFFFAOYSA-N 0 2 422.420 3.555 20 0 HHADLN COc1cc(Cl)c(S(=O)(=O)Nc2cc(OC)c(OC)cc2OC)cc1Cl ZINC000481613080 1073824214 /nfs/dbraw/zinc/82/42/14/1073824214.db2.gz VKRMXDJUQMGMBB-UHFFFAOYSA-N 0 2 422.286 3.829 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(OCc4cccnc4)cc3)s[nH]2)c1 ZINC000590552866 1073890436 /nfs/dbraw/zinc/89/04/36/1073890436.db2.gz IIUWHFFHXCRGIR-UHFFFAOYSA-N 0 2 418.478 3.862 20 0 HHADLN CC(C)n1ncc2cc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)cnc21 ZINC000590695184 1073981219 /nfs/dbraw/zinc/98/12/19/1073981219.db2.gz XVLVZLQFELYYPI-UHFFFAOYSA-N 0 2 402.373 3.971 20 0 HHADLN C[C@@H]1CCCN(Cc2csc(NS(=O)(=O)c3ccc(Cl)cc3F)n2)C1 ZINC000555942331 1073989871 /nfs/dbraw/zinc/98/98/71/1073989871.db2.gz STNXZXPCVWYVDD-LLVKDONJSA-N 0 2 403.932 3.968 20 0 HHADLN CC(C)S(=O)(=O)c1c(Cl)cccc1NS(=O)(=O)c1cccc2cnccc21 ZINC000573030002 1074065593 /nfs/dbraw/zinc/06/55/93/1074065593.db2.gz TVJVOHBOAPQISM-UHFFFAOYSA-N 0 2 424.931 3.871 20 0 HHADLN Cc1ccccc1-c1noc([C@@H](C)S(=O)(=O)c2n[nH]c(-c3ccccc3F)n2)n1 ZINC000573057749 1074075079 /nfs/dbraw/zinc/07/50/79/1074075079.db2.gz UVALACUEWAKELP-GFCCVEGCSA-N 0 2 413.434 3.504 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000615183346 1074097435 /nfs/dbraw/zinc/09/74/35/1074097435.db2.gz DAPHZPWTFCLPGV-UHFFFAOYSA-N 0 2 411.508 3.885 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2cccc(C(F)(F)F)n2)c1 ZINC000760599453 1074151176 /nfs/dbraw/zinc/15/11/76/1074151176.db2.gz BTMGXAUGUNIUDK-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN O=C(NCc1ccc(-c2nc(-c3cc(Br)cs3)no2)o1)C(F)(F)F ZINC000904395410 1074207925 /nfs/dbraw/zinc/20/79/25/1074207925.db2.gz CYLMYPCOPIXLHB-UHFFFAOYSA-N 0 2 422.182 3.999 20 0 HHADLN CC(C)(C)S(=O)(=O)Cc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000591796827 1074546301 /nfs/dbraw/zinc/54/63/01/1074546301.db2.gz GHHZNTLHLMKPNL-UHFFFAOYSA-N 0 2 421.462 3.618 20 0 HHADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc(Br)cc3)o2)s1 ZINC000573649811 1074598661 /nfs/dbraw/zinc/59/86/61/1074598661.db2.gz QNYCPXJWYLJVDK-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000573650746 1074598947 /nfs/dbraw/zinc/59/89/47/1074598947.db2.gz XTUHERKVBQDJHL-GFCCVEGCSA-N 0 2 414.434 3.562 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)Cc1ccc(F)c(F)c1 ZINC000575038912 1075447578 /nfs/dbraw/zinc/44/75/78/1075447578.db2.gz RMMDMQOWRLTYNM-SFHVURJKSA-N 0 2 413.468 3.747 20 0 HHADLN CCOC(=O)c1sc2ncnc(N(C)Cc3nc(=O)c4sccc4[nH]3)c2c1C ZINC000302218721 971210184 /nfs/dbraw/zinc/21/01/84/971210184.db2.gz QRGUJGJEWGNEFL-UHFFFAOYSA-N 0 2 415.500 3.523 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCSc4ccc(F)cc43)cc2[nH]c1=S ZINC000302857514 971357770 /nfs/dbraw/zinc/35/77/70/971357770.db2.gz OMYWVQBIOBJRPC-OAHLLOKOSA-N 0 2 415.515 3.811 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N[C@@H](c3ccco3)c3ccccc3)cc2[nH]c1=S ZINC000302858015 971358528 /nfs/dbraw/zinc/35/85/28/971358528.db2.gz QJPMKZWZMJLNHB-LJQANCHMSA-N 0 2 405.479 3.818 20 0 HHADLN COC(=O)c1csc(S(=O)(=O)Nc2ncc(Cc3ccccc3F)s2)c1 ZINC000524297404 1013109149 /nfs/dbraw/zinc/10/91/49/1013109149.db2.gz WPMLFSIXTKGRLL-UHFFFAOYSA-N 0 2 412.489 3.522 20 0 HHADLN CC(C)c1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)n(-c2ncccn2)n1 ZINC000303528208 971829366 /nfs/dbraw/zinc/82/93/66/971829366.db2.gz QTSYYPVLWUFCKV-UHFFFAOYSA-N 0 2 411.409 3.605 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)COc2ccc(Br)cc2Cl)s[nH]1 ZINC000524320024 1013138559 /nfs/dbraw/zinc/13/85/59/1013138559.db2.gz PFLSYGZKUPTUGJ-UHFFFAOYSA-N 0 2 404.717 3.691 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)cnn1-c1cccc(F)c1 ZINC000542235281 1013191556 /nfs/dbraw/zinc/19/15/56/1013191556.db2.gz AHHGDMHEOBYTQJ-UHFFFAOYSA-N 0 2 419.478 3.782 20 0 HHADLN Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)nc1 ZINC000010429970 961819497 /nfs/dbraw/zinc/81/94/97/961819497.db2.gz YQHJDJXYHZRJRE-UHFFFAOYSA-N 0 2 417.874 3.802 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3ccc(OCC(F)(F)F)cc3)cc2[nH]c1=S ZINC000010979909 961971223 /nfs/dbraw/zinc/97/12/23/961971223.db2.gz CUZKDYBBDZTXTD-UHFFFAOYSA-N 0 2 423.416 3.899 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)c1cnccn1 ZINC000011325515 962058108 /nfs/dbraw/zinc/05/81/08/962058108.db2.gz CGCJDBIHUZLIRE-UHFFFAOYSA-N 0 2 423.281 3.837 20 0 HHADLN Cn1c(=O)c2ccc(C(=O)Nc3ccc(N4CCCCCC4)cc3)cc2[nH]c1=S ZINC000013099767 962367690 /nfs/dbraw/zinc/36/76/90/962367690.db2.gz FQHTYBHJSYWJMW-UHFFFAOYSA-N 0 2 408.527 3.855 20 0 HHADLN O=c1nc(CSc2ncnc3c2cnn3-c2ccc(F)cc2)[nH]c2ccsc21 ZINC000013295205 962385159 /nfs/dbraw/zinc/38/51/59/962385159.db2.gz CDHRMPJPCKMRFM-UHFFFAOYSA-N 0 2 410.459 3.545 20 0 HHADLN O=C(Nc1nccs1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000014064122 962414708 /nfs/dbraw/zinc/41/47/08/962414708.db2.gz WUKJDEFTTZYPGJ-UHFFFAOYSA-N 0 2 409.876 3.555 20 0 HHADLN O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000015683629 962836705 /nfs/dbraw/zinc/83/67/05/962836705.db2.gz ZZPRDWZBDQERRJ-UHFFFAOYSA-N 0 2 403.438 3.734 20 0 HHADLN O=S(=O)(Nc1cccc(I)c1)c1ccc(Cl)cc1F ZINC000016130826 962954847 /nfs/dbraw/zinc/95/48/47/962954847.db2.gz BJRHMULYZIWALC-UHFFFAOYSA-N 0 2 411.623 3.885 20 0 HHADLN Cc1csc(C(C#N)C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)n1 ZINC000020056159 963381633 /nfs/dbraw/zinc/38/16/33/963381633.db2.gz MKSYDCLEDIUBEB-MRXNPFEDSA-N 0 2 409.540 3.937 20 0 HHADLN C[C@@H]1CCCN(Cc2csc(NS(=O)(=O)c3ccc4c(c3)CCCO4)n2)C1 ZINC000537875773 1013451881 /nfs/dbraw/zinc/45/18/81/1013451881.db2.gz YHYCHIYLXIGQRC-CQSZACIVSA-N 0 2 407.561 3.501 20 0 HHADLN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(-c3ccc(F)cc3)o2)C1=O ZINC000023954182 963908008 /nfs/dbraw/zinc/90/80/08/963908008.db2.gz JRJZBPCXPWRJKF-JOCHJYFZSA-N 0 2 407.401 3.588 20 0 HHADLN C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000050289113 964302186 /nfs/dbraw/zinc/30/21/86/964302186.db2.gz PKWQIRHZFPHLQT-NSHDSACASA-N 0 2 419.865 3.831 20 0 HHADLN O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000050550624 964351620 /nfs/dbraw/zinc/35/16/20/964351620.db2.gz ZIYHBFHPGQUQRN-UHFFFAOYSA-N 0 2 410.886 3.949 20 0 HHADLN N#C[C@@H](C(=O)Cn1nc(-c2ccccc2)ccc1=O)c1nc2ccccc2n1C(F)F ZINC000051656544 964653187 /nfs/dbraw/zinc/65/31/87/964653187.db2.gz WJHCKGDKRPGKSL-HNNXBMFYSA-N 0 2 419.391 3.532 20 0 HHADLN CC(C)S(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000052025241 964785260 /nfs/dbraw/zinc/78/52/60/964785260.db2.gz ZOLSRMGIWYACAK-UHFFFAOYSA-N 0 2 405.900 3.603 20 0 HHADLN O=C(CCc1cc(F)ccc1F)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000052986853 965033938 /nfs/dbraw/zinc/03/39/38/965033938.db2.gz SGCGQXYASUYIJR-UHFFFAOYSA-N 0 2 400.381 3.531 20 0 HHADLN Cc1cccc(OCCOC(=O)CSc2[nH]c(=O)cc(C(F)(F)F)c2C#N)c1 ZINC000028307563 965072652 /nfs/dbraw/zinc/07/26/52/965072652.db2.gz JVWONYAMOJIDIU-UHFFFAOYSA-N 0 2 412.389 3.700 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)N(C)[C@H](C)c3cccs3)cc2[nH]c1=S ZINC000053315294 965128236 /nfs/dbraw/zinc/12/82/36/965128236.db2.gz MRGVHUCGQKFHOK-CYBMUJFWSA-N 0 2 417.556 3.616 20 0 HHADLN COCCCOc1ccccc1NS(=O)(=O)c1ccccc1Br ZINC000057120986 965292382 /nfs/dbraw/zinc/29/23/82/965292382.db2.gz MLCPPLYGBQCLQD-UHFFFAOYSA-N 0 2 400.294 3.665 20 0 HHADLN CCOC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000057122443 965294648 /nfs/dbraw/zinc/29/46/48/965294648.db2.gz UXMJTUSNDSMVBO-UHFFFAOYSA-N 0 2 413.839 3.642 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1c[nH]c2ncccc12 ZINC000057123256 965295508 /nfs/dbraw/zinc/29/55/08/965295508.db2.gz SXNCLUWVRAUBJZ-CYBMUJFWSA-N 0 2 407.879 3.575 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1ccc(Cl)nc1 ZINC000057123298 965295815 /nfs/dbraw/zinc/29/58/15/965295815.db2.gz VEJBSSKGIILQQH-GFCCVEGCSA-N 0 2 403.287 3.747 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2OCC(F)(F)F)c1 ZINC000057123922 965297066 /nfs/dbraw/zinc/29/70/66/965297066.db2.gz GEDZUGMGGPQSII-UHFFFAOYSA-N 0 2 405.394 3.754 20 0 HHADLN O=S(=O)(Nc1ccc(OCC(F)(F)F)nc1)c1ccccc1OC(F)(F)F ZINC000057505054 965480208 /nfs/dbraw/zinc/48/02/08/965480208.db2.gz XCZFJXLLQAWNLF-UHFFFAOYSA-N 0 2 416.299 3.722 20 0 HHADLN COc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 ZINC000057718723 965529694 /nfs/dbraw/zinc/52/96/94/965529694.db2.gz DGQOSEFXBRDRMN-UHFFFAOYSA-N 0 2 403.485 3.578 20 0 HHADLN COc1ccc(-c2nc(NS(=O)(=O)c3ccc(C(C)=O)cc3)sc2C)cc1 ZINC000057721007 965529880 /nfs/dbraw/zinc/52/98/80/965529880.db2.gz PUMBUKRZWTYFAT-UHFFFAOYSA-N 0 2 402.497 3.552 20 0 HHADLN CC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000057720145 965529995 /nfs/dbraw/zinc/52/99/95/965529995.db2.gz CZRZJIOFIGUYPX-UHFFFAOYSA-N 0 2 403.441 3.722 20 0 HHADLN CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)nc3)n2)cc1 ZINC000057718749 965530028 /nfs/dbraw/zinc/53/00/28/965530028.db2.gz TXEGACKWGZVKDG-UHFFFAOYSA-N 0 2 408.892 3.618 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000030032104 965605034 /nfs/dbraw/zinc/60/50/34/965605034.db2.gz YOFAIWBABHXPQR-UHFFFAOYSA-N 0 2 400.460 3.519 20 0 HHADLN COc1ccc2cc(C=CC(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)ccc2c1 ZINC000030031949 965605352 /nfs/dbraw/zinc/60/53/52/965605352.db2.gz OXENOTQFGWFPFP-XBXARRHUSA-N 0 2 405.479 3.818 20 0 HHADLN Cc1ccc(SCC(=O)NNC(=O)c2cc(-c3cccc(Cl)c3)on2)cc1 ZINC000030034031 965606911 /nfs/dbraw/zinc/60/69/11/965606911.db2.gz BRFDSUIWDIUSGG-UHFFFAOYSA-N 0 2 401.875 3.857 20 0 HHADLN COc1ccc(-c2nc(S[C@H](C)C(=O)N(C(C)C)C(C)C)[nH]c(=O)c2C#N)cc1 ZINC000054749526 965631702 /nfs/dbraw/zinc/63/17/02/965631702.db2.gz VVDRGSLRHGYKMX-CQSZACIVSA-N 0 2 414.531 3.855 20 0 HHADLN CCCCCCNC(=O)CSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1 ZINC000054749480 965631730 /nfs/dbraw/zinc/63/17/30/965631730.db2.gz IBYXCGSGWQELPJ-UHFFFAOYSA-N 0 2 400.504 3.518 20 0 HHADLN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1coc(Br)c1 ZINC000030607082 965743253 /nfs/dbraw/zinc/74/32/53/965743253.db2.gz GRNWOXZMZBAAQW-UHFFFAOYSA-N 0 2 412.041 3.842 20 0 HHADLN CC1CCN(C2=NC(=O)C(CC(=O)Nc3ccccc3Br)S2)CC1 ZINC000055117542 965760813 /nfs/dbraw/zinc/76/08/13/965760813.db2.gz PKFQFBYJFVKAHO-AWEZNQCLSA-N 0 2 410.337 3.508 20 0 HHADLN CC(C)c1cccc(/N=C2\NC(=O)[C@H](CC(=O)NCCc3ccccc3F)S2)c1 ZINC000055117891 965761732 /nfs/dbraw/zinc/76/17/32/965761732.db2.gz CVVPTCDCDJUOMX-IBGZPJMESA-N 0 2 413.518 3.917 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCCCCOCc3ccccc3)s[nH]2)c1 ZINC000542686230 1013606647 /nfs/dbraw/zinc/60/66/47/1013606647.db2.gz PCGHILNOGAHCRK-UHFFFAOYSA-N 0 2 412.515 3.754 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](C)[C@@H](OC)c3ccc(F)cc3)s[nH]2)c1 ZINC000542687112 1013607404 /nfs/dbraw/zinc/60/74/04/1013607404.db2.gz XLBQIEOSDYYCDP-YVEFUNNKSA-N 0 2 416.478 3.672 20 0 HHADLN CCN(CC)C(=O)COc1cccc(NS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000055588177 965943034 /nfs/dbraw/zinc/94/30/34/965943034.db2.gz MLJQATDTRYHFRR-UHFFFAOYSA-N 0 2 414.886 3.527 20 0 HHADLN O=C(COc1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1)Nc1ccccc1 ZINC000055644042 965987229 /nfs/dbraw/zinc/98/72/29/965987229.db2.gz CNLFCMXNQPFGJI-UHFFFAOYSA-N 0 2 418.421 3.783 20 0 HHADLN COCCOc1cc(C)ccc1NS(=O)(=O)c1ccccc1Br ZINC000055648852 965993709 /nfs/dbraw/zinc/99/37/09/965993709.db2.gz QZGCXYZADWZAOJ-UHFFFAOYSA-N 0 2 400.294 3.584 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c1 ZINC000055651379 965998178 /nfs/dbraw/zinc/99/81/78/965998178.db2.gz RQZFAVXYWKFIPR-HNNXBMFYSA-N 0 2 418.515 3.519 20 0 HHADLN O=C1OCCN1Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000055652672 966000321 /nfs/dbraw/zinc/00/03/21/966000321.db2.gz BMSRRCLXVJSXDP-UHFFFAOYSA-N 0 2 401.271 3.746 20 0 HHADLN Cc1noc(C2(C)CCN(C(=O)N=c3nc(-c4ccccc4Cl)[nH]s3)CC2)n1 ZINC000542728972 1013641012 /nfs/dbraw/zinc/64/10/12/1013641012.db2.gz MFNNFKNBFWQPRP-UHFFFAOYSA-N 0 2 418.910 3.557 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1ccccc1-n1ccnc1 ZINC000542729408 1013641658 /nfs/dbraw/zinc/64/16/58/1013641658.db2.gz QIRBTOVGIWAOSA-UHFFFAOYSA-N 0 2 410.890 3.788 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nc3ccc(OC)cc3s2)cc1OCC ZINC000061031883 966355579 /nfs/dbraw/zinc/35/55/79/966355579.db2.gz BOZKZPGBGSUVMB-UHFFFAOYSA-N 0 2 408.501 3.903 20 0 HHADLN CCOc1ccccc1N1CC[NH+](Cc2cc(=O)oc3cc([O-])c(Cl)cc23)CC1 ZINC000038291659 966478829 /nfs/dbraw/zinc/47/88/29/966478829.db2.gz KIXKIBZSBPOFLL-UHFFFAOYSA-N 0 2 414.889 3.873 20 0 HHADLN COCc1ccc(S(=O)(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1 ZINC000538093365 1013664385 /nfs/dbraw/zinc/66/43/85/1013664385.db2.gz ABGMVAQESOLKEG-UHFFFAOYSA-N 0 2 411.405 3.838 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1cccc(NC(=O)OCC(C)C)c1 ZINC000063181403 966770443 /nfs/dbraw/zinc/77/04/43/966770443.db2.gz URYWVFCBDJOFRG-UHFFFAOYSA-N 0 2 412.489 3.540 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000063878359 966985140 /nfs/dbraw/zinc/98/51/40/966985140.db2.gz UBQPBBPXKSEBML-UHFFFAOYSA-N 0 2 412.467 3.757 20 0 HHADLN O=S(=O)(Cc1cc(Br)ccc1OC(F)F)c1nc2ccccc2[nH]1 ZINC000063926559 967000994 /nfs/dbraw/zinc/00/09/94/967000994.db2.gz TWDZHBYBQRMAMI-UHFFFAOYSA-N 0 2 417.231 3.901 20 0 HHADLN CC(C)OCC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000064290665 967125927 /nfs/dbraw/zinc/12/59/27/967125927.db2.gz DINPRYFGCDRJLP-UHFFFAOYSA-N 0 2 400.859 3.643 20 0 HHADLN O=C(NNC(=O)C1CCCC1)c1ccc(COc2ccc(Br)cc2)o1 ZINC000044503961 967225152 /nfs/dbraw/zinc/22/51/52/967225152.db2.gz GXBDAFWFKPJDHU-UHFFFAOYSA-N 0 2 407.264 3.572 20 0 HHADLN CN(C)C(=O)c1cccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 ZINC000065106216 967379214 /nfs/dbraw/zinc/37/92/14/967379214.db2.gz DNBOQPJIOSKLSI-UHFFFAOYSA-N 0 2 413.275 3.793 20 0 HHADLN NC(=O)c1cc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)ccc1Cl ZINC000065106558 967379243 /nfs/dbraw/zinc/37/92/43/967379243.db2.gz PJSNAJFQRIFGQO-UHFFFAOYSA-N 0 2 419.666 3.844 20 0 HHADLN CC[C@@H]1C[C@@H](CC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)CCO1 ZINC000542881139 1013729526 /nfs/dbraw/zinc/72/95/26/1013729526.db2.gz YUPUYYFHWMWTLK-CMPLNLGQSA-N 0 2 411.275 3.907 20 0 HHADLN CCc1nc2cc(S(=O)(=O)Nc3c(-c4cccnc4)nc4ccccn43)ccc2o1 ZINC000542930997 1013765500 /nfs/dbraw/zinc/76/55/00/1013765500.db2.gz ZSXCCWPGDNRNMM-UHFFFAOYSA-N 0 2 419.466 3.901 20 0 HHADLN CNC(=S)Nc1ccc(F)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000048041964 968394956 /nfs/dbraw/zinc/39/49/56/968394956.db2.gz YBABZKQEXDIRGB-UHFFFAOYSA-N 0 2 407.414 3.562 20 0 HHADLN O=C(NCc1ccco1)NNC(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000065898071 968704336 /nfs/dbraw/zinc/70/43/36/968704336.db2.gz DRMKBUHHVIJJFR-UHFFFAOYSA-N 0 2 411.270 3.854 20 0 HHADLN CCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000096503915 969044491 /nfs/dbraw/zinc/04/44/91/969044491.db2.gz SQJULOHANYFHRR-UHFFFAOYSA-N 0 2 417.512 3.524 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NCCOc3ccc(C(C)C)cc3)cc2[nH]c1=S ZINC000113185337 969825700 /nfs/dbraw/zinc/82/57/00/969825700.db2.gz GYVKWRVWWHWPKD-UHFFFAOYSA-N 0 2 411.527 3.637 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3cc(C#N)ccc3OC(C)C)cc2[nH]c1=S ZINC000115762477 969852787 /nfs/dbraw/zinc/85/27/87/969852787.db2.gz RXDHDLFXIQNJAX-UHFFFAOYSA-N 0 2 408.483 3.616 20 0 HHADLN Cn1c2ccc(S(=O)(=O)Nc3nc4c(ccc5ccccc45)s3)cc2oc1=O ZINC000219385137 970091431 /nfs/dbraw/zinc/09/14/31/970091431.db2.gz BJCGCPNRVLPSGC-UHFFFAOYSA-N 0 2 411.464 3.695 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(Br)nc2)sc1Br ZINC000221718714 970100229 /nfs/dbraw/zinc/10/02/29/970100229.db2.gz FCRMWOPDGRIVAV-UHFFFAOYSA-N 0 2 412.128 3.777 20 0 HHADLN Cc1n[nH]c(C)c1NS(=O)(=O)c1cc(Br)c(C)cc1Br ZINC000155792695 970443459 /nfs/dbraw/zinc/44/34/59/970443459.db2.gz NLWQQNOLAVAKBZ-UHFFFAOYSA-N 0 2 423.130 3.661 20 0 HHADLN O=S(=O)(Nc1nnc(CCCc2cccs2)o1)c1cccnc1C(F)(F)F ZINC000554731857 1014033922 /nfs/dbraw/zinc/03/39/22/1014033922.db2.gz WCHLWLKKRMNNDJ-UHFFFAOYSA-N 0 2 418.422 3.521 20 0 HHADLN Cc1cc(C)n(-c2cccc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)c2)n1 ZINC000303959379 972544265 /nfs/dbraw/zinc/54/42/65/972544265.db2.gz MHRCVWLVRFVHMA-UHFFFAOYSA-N 0 2 411.462 3.615 20 0 HHADLN O=S(=O)(Nc1ccc(OC(F)F)cc1)c1cc(Br)cnc1Cl ZINC000316605893 972650704 /nfs/dbraw/zinc/65/07/04/972650704.db2.gz JHOATMKGVYGYGI-UHFFFAOYSA-N 0 2 413.627 3.900 20 0 HHADLN Cc1c(Br)cccc1NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000318327681 972660799 /nfs/dbraw/zinc/66/07/99/972660799.db2.gz QYFJXZYRKYSVOR-UHFFFAOYSA-N 0 2 400.685 3.859 20 0 HHADLN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c1 ZINC000321354163 972690009 /nfs/dbraw/zinc/69/00/09/972690009.db2.gz XQJUEOPBDJFGLS-UHFFFAOYSA-N 0 2 416.640 3.683 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000326227161 972740083 /nfs/dbraw/zinc/74/00/83/972740083.db2.gz UJFJXVOJZLOQEJ-UHFFFAOYSA-N 0 2 402.906 3.907 20 0 HHADLN O=S(=O)(Nc1cncc(Br)c1)c1ccc(F)cc1Br ZINC000382033868 972785478 /nfs/dbraw/zinc/78/54/78/972785478.db2.gz SEDVHQSTRSQICK-UHFFFAOYSA-N 0 2 410.062 3.547 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cccnc2N2CCCC2)sc1Br ZINC000388469328 972805777 /nfs/dbraw/zinc/80/57/77/972805777.db2.gz IJPNXSAGNSMQOW-UHFFFAOYSA-N 0 2 402.339 3.615 20 0 HHADLN O=S(=O)(Nc1cccc(-c2cnco2)c1)c1cc(Br)cnc1Cl ZINC000390422837 972824527 /nfs/dbraw/zinc/82/45/27/972824527.db2.gz QVZVQEIYEZZSEJ-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN CC(C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000392453786 972852728 /nfs/dbraw/zinc/85/27/28/972852728.db2.gz HYWQJFNIQKORJP-UHFFFAOYSA-N 0 2 415.284 3.984 20 0 HHADLN COC(=O)CCCc1csc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)n1 ZINC000393030512 972859884 /nfs/dbraw/zinc/85/98/84/972859884.db2.gz QJMNGCQNKMTNLY-MDZDMXLPSA-N 0 2 400.909 3.705 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000409493117 972944349 /nfs/dbraw/zinc/94/43/49/972944349.db2.gz SXFMFDBLZPYBEU-UHFFFAOYSA-N 0 2 422.915 3.975 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(C)c(C)c3)s2)cc1 ZINC000409503329 972955984 /nfs/dbraw/zinc/95/59/84/972955984.db2.gz QRNCOOHUFMFDAL-UHFFFAOYSA-N 0 2 416.524 3.938 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3nc4cc(F)c(F)cc4s3)cc2C[C@H]1C ZINC000409638598 973087378 /nfs/dbraw/zinc/08/73/78/973087378.db2.gz OBWUYXHHYVBGTC-SECBINFHSA-N 0 2 423.466 3.673 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC000409641740 973092148 /nfs/dbraw/zinc/09/21/48/973092148.db2.gz YFBWYHRBCQOKHW-UHFFFAOYSA-N 0 2 418.830 3.815 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3ccc(F)c(F)c3)s2)c1 ZINC000409663765 973119788 /nfs/dbraw/zinc/11/97/88/973119788.db2.gz CBNHQBQQJAJJJR-UHFFFAOYSA-N 0 2 424.450 3.600 20 0 HHADLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)OC)s3)sc2C1 ZINC000409664384 973121118 /nfs/dbraw/zinc/12/11/18/973121118.db2.gz IPXGMUPYKYMEQI-SNVBAGLBSA-N 0 2 400.547 3.697 20 0 HHADLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3cc(NC(C)=O)ccc3OC)sc2C1 ZINC000409668995 973128956 /nfs/dbraw/zinc/12/89/56/973128956.db2.gz SRZJAPADFWXKKQ-ZDUSSCGKSA-N 0 2 423.560 3.816 20 0 HHADLN C[C@@H](C(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000409931100 973392875 /nfs/dbraw/zinc/39/28/75/973392875.db2.gz WBBLFRZEVMBXRV-CYBMUJFWSA-N 0 2 404.392 3.822 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3nnc(-c4ccoc4C)o3)c2)n1 ZINC000410320321 973866070 /nfs/dbraw/zinc/86/60/70/973866070.db2.gz DGYMDYCBKUOTST-UHFFFAOYSA-N 0 2 402.457 3.871 20 0 HHADLN CCc1c(NS(=O)(=O)Cc2cc(C)cc(C)c2)nnn1Cc1ccc(F)cc1 ZINC000410332949 973908607 /nfs/dbraw/zinc/90/86/07/973908607.db2.gz NVIREGJKCDVYLJ-UHFFFAOYSA-N 0 2 402.495 3.587 20 0 HHADLN Cc1c(NS(=O)(=O)Cc2ccccc2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000410333001 973910644 /nfs/dbraw/zinc/91/06/44/973910644.db2.gz OCPVLSKVJLDNTB-UHFFFAOYSA-N 0 2 410.421 3.596 20 0 HHADLN CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1 ZINC000410354742 973946656 /nfs/dbraw/zinc/94/66/56/973946656.db2.gz PDKZFAFPMYBAPC-UHFFFAOYSA-N 0 2 415.284 3.984 20 0 HHADLN O=S(=O)(Nc1ccc(-c2cncnc2)cc1)c1cccc(Br)c1F ZINC000410385743 973984232 /nfs/dbraw/zinc/98/42/32/973984232.db2.gz SXPSPFOXRJOCNY-UHFFFAOYSA-N 0 2 408.252 3.846 20 0 HHADLN O=S(=O)(Nc1cccc2c1OCO2)c1cc(C(F)(F)F)ccc1Br ZINC000410397270 973996034 /nfs/dbraw/zinc/99/60/34/973996034.db2.gz YLFQPGIPYZJZAF-UHFFFAOYSA-N 0 2 424.194 3.997 20 0 HHADLN CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000425956235 974061550 /nfs/dbraw/zinc/06/15/50/974061550.db2.gz CGCGWEAEROUBLV-UHFFFAOYSA-N 0 2 416.421 3.607 20 0 HHADLN CCOc1ccc(C(=O)N2CCCCC2)cc1NS(=O)(=O)c1ccccc1OC ZINC000426000105 974115262 /nfs/dbraw/zinc/11/52/62/974115262.db2.gz BAJATTTZNXBRHP-UHFFFAOYSA-N 0 2 418.515 3.521 20 0 HHADLN CCCSc1nc(=NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)s[n-]1 ZINC000426133670 974255310 /nfs/dbraw/zinc/25/53/10/974255310.db2.gz MOYFIUBWZRGQPF-HOTGVXAUSA-N 0 2 414.560 3.709 20 0 HHADLN O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000426676026 974595380 /nfs/dbraw/zinc/59/53/80/974595380.db2.gz YFNCHKKRHZNFST-HXUWFJFHSA-N 0 2 407.495 3.989 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NCC(C)(C)c2cccc(Br)c2)cn1 ZINC000427104278 974907025 /nfs/dbraw/zinc/90/70/25/974907025.db2.gz YPYPPJYFWSFXHO-UHFFFAOYSA-N 0 2 416.323 3.763 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000427114378 974914873 /nfs/dbraw/zinc/91/48/73/974914873.db2.gz MMMXKMFSYADSAA-UHFFFAOYSA-N 0 2 403.408 3.774 20 0 HHADLN O=S(=O)(Nc1ccc(Cn2cccn2)cc1)c1cccc(OC(F)(F)F)c1F ZINC000427123222 974921888 /nfs/dbraw/zinc/92/18/88/974921888.db2.gz HRRULMYAPIQTRZ-UHFFFAOYSA-N 0 2 415.368 3.770 20 0 HHADLN CCC[C@H](C)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000427201415 974974445 /nfs/dbraw/zinc/97/44/45/974974445.db2.gz AFUVPVNZSPFQNR-WMLDXEAASA-N 0 2 407.561 3.985 20 0 HHADLN O=S(=O)(Nc1ccc(-c2cc[nH]n2)cc1)c1cccc(OC(F)(F)F)c1F ZINC000427205385 974977613 /nfs/dbraw/zinc/97/76/13/974977613.db2.gz SGCOXQNDUVIMOM-UHFFFAOYSA-N 0 2 401.341 3.915 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cccc(-c3ccc(Br)cc3)c2)cnn1C ZINC000427306041 975040232 /nfs/dbraw/zinc/04/02/32/975040232.db2.gz ZKIVSYAGSDNSRC-UHFFFAOYSA-N 0 2 406.305 3.959 20 0 HHADLN CCOC(=O)c1cc(COC)cc(NS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000427350107 975070773 /nfs/dbraw/zinc/07/07/73/975070773.db2.gz PDMOPKPPJSGMIQ-UHFFFAOYSA-N 0 2 401.843 3.603 20 0 HHADLN COCc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc(C(=O)OC)c1 ZINC000427354102 975072857 /nfs/dbraw/zinc/07/28/57/975072857.db2.gz GDOOYLXNHSCBMA-UHFFFAOYSA-N 0 2 421.368 3.578 20 0 HHADLN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)c(Cl)c1 ZINC000427683069 975237302 /nfs/dbraw/zinc/23/73/02/975237302.db2.gz QTQVLHPFQJZMJY-UHFFFAOYSA-N 0 2 408.892 3.553 20 0 HHADLN CCOC(=O)c1cc(COC)cc(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)c1 ZINC000427753374 975269239 /nfs/dbraw/zinc/26/92/39/975269239.db2.gz PMOZNMNRDLMHHM-UHFFFAOYSA-N 0 2 412.533 3.565 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2nc(C(C)(C)C)co2)cc1OC ZINC000427756979 975270722 /nfs/dbraw/zinc/27/07/22/975270722.db2.gz XRGLUTIDJVUISD-UHFFFAOYSA-N 0 2 419.297 3.553 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cnn1C ZINC000427756464 975270910 /nfs/dbraw/zinc/27/09/10/975270910.db2.gz WQYDULAHVKODPY-UHFFFAOYSA-N 0 2 416.450 3.595 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ncc(-c3ccc(C)cc3C)s2)cnc1C ZINC000427803234 975298354 /nfs/dbraw/zinc/29/83/54/975298354.db2.gz VSHCSUPEFODKNQ-UHFFFAOYSA-N 0 2 417.512 3.718 20 0 HHADLN CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000429500788 976756283 /nfs/dbraw/zinc/75/62/83/976756283.db2.gz GOQDTHNKSADEDN-LEWJYISDSA-N 0 2 409.578 3.772 20 0 HHADLN CCCn1ccnc1CCCN(C)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000429601127 976881741 /nfs/dbraw/zinc/88/17/41/976881741.db2.gz KKKOZULJWNQKGH-UHFFFAOYSA-N 0 2 418.954 3.983 20 0 HHADLN O=C(NC[C@@H]1CSCCN1Cc1ccccc1)c1ccc(Br)c(O)c1 ZINC000430105636 977321752 /nfs/dbraw/zinc/32/17/52/977321752.db2.gz UVQUXWVXUZDNAM-MRXNPFEDSA-N 0 2 421.360 3.502 20 0 HHADLN O=C(N[C@@H](CO)Cc1ccccc1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430581422 977643468 /nfs/dbraw/zinc/64/34/68/977643468.db2.gz OJSVUCSDBDRURK-GOSISDBHSA-N 0 2 414.461 3.654 20 0 HHADLN Cc1sc(Br)cc1S(=O)(=O)Nc1nnc(-c2ccc(F)cc2)o1 ZINC000430630110 977661165 /nfs/dbraw/zinc/66/11/65/977661165.db2.gz RFCYKZPWLTWYSO-UHFFFAOYSA-N 0 2 418.269 3.809 20 0 HHADLN Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCSCC3)c2C)s1 ZINC000431166270 978066658 /nfs/dbraw/zinc/06/66/58/978066658.db2.gz JKFJYZJXTIVJCV-UHFFFAOYSA-N 0 2 410.586 3.663 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cc(Br)ccc2F)s1)c1ccccc1 ZINC000431318021 978203285 /nfs/dbraw/zinc/20/32/85/978203285.db2.gz FZANCKXKDWLREA-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3nnc(SCc4ccccc4)s3)ccc2O1 ZINC000431318038 978203329 /nfs/dbraw/zinc/20/33/29/978203329.db2.gz GADSMEXDPJQZQC-GFCCVEGCSA-N 0 2 419.553 3.955 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)ccc1F ZINC000431325180 978209937 /nfs/dbraw/zinc/20/99/37/978209937.db2.gz AZDFWRNIFKIELI-UHFFFAOYSA-N 0 2 420.491 3.720 20 0 HHADLN CCSc1nnc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)s1 ZINC000431328664 978214035 /nfs/dbraw/zinc/21/40/35/978214035.db2.gz XIDWAZFYYOFVAU-UHFFFAOYSA-N 0 2 401.869 3.706 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000431413103 978283213 /nfs/dbraw/zinc/28/32/13/978283213.db2.gz IYZRJMPUTMSRQC-IBGZPJMESA-N 0 2 408.527 3.883 20 0 HHADLN N[C@](C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1)(c1cccc(F)c1)C(F)(F)F ZINC000431753145 978485673 /nfs/dbraw/zinc/48/56/73/978485673.db2.gz VCDZNWBYNXXVSY-INIZCTEOSA-N 0 2 413.762 3.619 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)cnn1-c1ccc(C)cc1 ZINC000431906007 978590683 /nfs/dbraw/zinc/59/06/83/978590683.db2.gz ZHRNEFUGQWTGRM-UHFFFAOYSA-N 0 2 415.515 3.951 20 0 HHADLN COCc1nc2cc(NS(=O)(=O)c3cc(Br)ccc3F)ccc2o1 ZINC000432353392 978773307 /nfs/dbraw/zinc/77/33/07/978773307.db2.gz LCMKTJOVLBMCBY-UHFFFAOYSA-N 0 2 415.240 3.677 20 0 HHADLN O=c1ccc2cc(S(=O)(=O)Nc3ncc(Cc4ccc(F)cc4)s3)ccc2[nH]1 ZINC000432360507 978777190 /nfs/dbraw/zinc/77/71/90/978777190.db2.gz VXSOTAGANHOTTR-UHFFFAOYSA-N 0 2 415.471 3.515 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC000432470633 978831271 /nfs/dbraw/zinc/83/12/71/978831271.db2.gz IYEHSLMMRDJVOY-UHFFFAOYSA-N 0 2 414.274 3.593 20 0 HHADLN O=S(=O)(Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1ccc2c(c1)CCO2 ZINC000432539026 978872929 /nfs/dbraw/zinc/87/29/29/978872929.db2.gz SHFGYDNVEBLWFR-QGZVFWFLSA-N 0 2 413.524 3.742 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000432675862 978932694 /nfs/dbraw/zinc/93/26/94/978932694.db2.gz MQKMXYPPWKPXNF-UHFFFAOYSA-N 0 2 406.492 3.938 20 0 HHADLN O=S(=O)(N[C@H](c1cc(F)ccc1F)C(F)F)c1ccc(Br)o1 ZINC000433457974 979316818 /nfs/dbraw/zinc/31/68/18/979316818.db2.gz DOUUUQJQZUMSQS-LLVKDONJSA-N 0 2 402.163 3.605 20 0 HHADLN CCn1nccc1C1CCN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)CC1 ZINC000433560348 979385025 /nfs/dbraw/zinc/38/50/25/979385025.db2.gz XVOGIFOIQFWANL-UHFFFAOYSA-N 0 2 416.938 3.908 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)c1 ZINC000433602648 979418233 /nfs/dbraw/zinc/41/82/33/979418233.db2.gz FCWOSOWYSJSGAQ-UHFFFAOYSA-N 0 2 409.851 3.527 20 0 HHADLN CCN(C(=O)C1=NN(c2ccc(F)cc2C)CC1=O)[C@H](COC)Cc1ccccc1 ZINC000434333295 980096961 /nfs/dbraw/zinc/09/69/61/980096961.db2.gz LQEWBQDPBSFCQH-IBGZPJMESA-N 0 2 411.477 3.745 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000434395647 980139965 /nfs/dbraw/zinc/13/99/65/980139965.db2.gz OEDLEOPGSSICNA-UHFFFAOYSA-N 0 2 408.368 3.930 20 0 HHADLN COc1ccc(Br)cc1NS(=O)(=O)c1c(C)cc(C)cc1OC ZINC000434632834 980309495 /nfs/dbraw/zinc/30/94/95/980309495.db2.gz BDNCXRNOMUBRBI-UHFFFAOYSA-N 0 2 400.294 3.884 20 0 HHADLN C[C@H](OCCCNC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000434689169 980341001 /nfs/dbraw/zinc/34/10/01/980341001.db2.gz USCBQVGDKNVSCB-FQEVSTJZSA-N 0 2 424.589 3.683 20 0 HHADLN CCn1cnnc1-c1ccccc1NS(=O)(=O)c1cccc(C)c1Br ZINC000435134025 980665812 /nfs/dbraw/zinc/66/58/12/980665812.db2.gz FBKZAVQWGNTAQX-UHFFFAOYSA-N 0 2 421.320 3.837 20 0 HHADLN COc1cc(OC)c(NS(=O)(=O)c2cccc(C)c2Br)cc1F ZINC000435140002 980671467 /nfs/dbraw/zinc/67/14/67/980671467.db2.gz GKOQXVOEQARXHO-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN O=S(=O)(Nc1cccc(Cn2cncn2)c1)c1c(Cl)cc(F)cc1Cl ZINC000435444969 980866817 /nfs/dbraw/zinc/86/68/17/980866817.db2.gz BTGWPPPQOGJVLC-UHFFFAOYSA-N 0 2 401.250 3.573 20 0 HHADLN CNC(=O)c1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)ccc1Cl ZINC000435494831 980902483 /nfs/dbraw/zinc/90/24/83/980902483.db2.gz BVQSFIRRUUMCET-UHFFFAOYSA-N 0 2 411.669 3.946 20 0 HHADLN Cc1nncn1-c1cccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435498632 980904140 /nfs/dbraw/zinc/90/41/40/980904140.db2.gz YPCSHGNHHFTDNS-UHFFFAOYSA-N 0 2 401.250 3.822 20 0 HHADLN Cc1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)ccc1S(C)(=O)=O ZINC000435503208 980906415 /nfs/dbraw/zinc/90/64/15/980906415.db2.gz VGJNIGPYOVEZRL-UHFFFAOYSA-N 0 2 412.291 3.645 20 0 HHADLN COc1cccc(C)c1NS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000435724389 981003919 /nfs/dbraw/zinc/00/39/19/981003919.db2.gz SXVBCJNTPPKTMI-UHFFFAOYSA-N 0 2 400.294 3.884 20 0 HHADLN O=S(=O)(Nc1noc(Cc2ccccc2)n1)c1c(Cl)cc(F)cc1Cl ZINC000435896417 981081363 /nfs/dbraw/zinc/08/13/63/981081363.db2.gz GFAAECQKXYNIOS-UHFFFAOYSA-N 0 2 402.234 3.907 20 0 HHADLN COc1ccccc1-c1nnc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)o1 ZINC000435898034 981082143 /nfs/dbraw/zinc/08/21/43/981082143.db2.gz NBFBUAALLVCPES-UHFFFAOYSA-N 0 2 418.233 3.992 20 0 HHADLN COc1cc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)ccc1Br ZINC000436008766 981151450 /nfs/dbraw/zinc/15/14/50/981151450.db2.gz SFBUUIOWHYTVSQ-UHFFFAOYSA-N 0 2 420.288 3.716 20 0 HHADLN CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3cnc(-c4ccccc4)nc3)c2)n1 ZINC000436021724 981161326 /nfs/dbraw/zinc/16/13/26/981161326.db2.gz KEPNYWVTRWKGAJ-UHFFFAOYSA-N 0 2 421.482 3.865 20 0 HHADLN CCc1ccc(O)c(NS(=O)(=O)c2cc(OC)c(Br)cc2OC)c1 ZINC000436025650 981165053 /nfs/dbraw/zinc/16/50/53/981165053.db2.gz MQJAKGBCUKNVAJ-UHFFFAOYSA-N 0 2 416.293 3.535 20 0 HHADLN CCOc1ccncc1S(=O)(=O)Nc1ccc(NC(=O)N2CCCCCC2)cc1 ZINC000436479196 981394499 /nfs/dbraw/zinc/39/44/99/981394499.db2.gz UIBMTHKEOMUHTQ-UHFFFAOYSA-N 0 2 418.519 3.689 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCC(N2CCc3ccccc32)CC1 ZINC000436518701 981413689 /nfs/dbraw/zinc/41/36/89/981413689.db2.gz ZDLHDETXWIEMFS-UHFFFAOYSA-N 0 2 419.294 3.961 20 0 HHADLN O=C(Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1)c1cc(F)c(O)c(F)c1 ZINC000436524000 981416537 /nfs/dbraw/zinc/41/65/37/981416537.db2.gz XVHNUPIVUMZXOK-UHFFFAOYSA-N 0 2 401.394 3.931 20 0 HHADLN CC1(C)CN([C@H](CNC(=O)c2cc(F)c(O)c(F)c2)c2ccc(Cl)cc2)CCO1 ZINC000436523502 981416667 /nfs/dbraw/zinc/41/66/67/981416667.db2.gz TYFPCNPDKRGNMV-GOSISDBHSA-N 0 2 424.875 3.906 20 0 HHADLN CC[C@@H](C(=O)N1CCC(NC(=O)c2cc(F)c(O)c(F)c2)CC1)c1ccccc1 ZINC000436531441 981423530 /nfs/dbraw/zinc/42/35/30/981423530.db2.gz CTKBTRNKRJOZOC-QGZVFWFLSA-N 0 2 402.441 3.585 20 0 HHADLN O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)c2cc(F)c(O)c(F)c2)CC1 ZINC000436535793 981426757 /nfs/dbraw/zinc/42/67/57/981426757.db2.gz OPGSEWMOQCXOCY-UHFFFAOYSA-N 0 2 409.820 3.704 20 0 HHADLN CCC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c1 ZINC000436609571 981472839 /nfs/dbraw/zinc/47/28/39/981472839.db2.gz SCNULWFXEZTFJK-UHFFFAOYSA-N 0 2 410.451 3.529 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CC[C@@H](OCc2ccncc2)C1 ZINC000436624261 981480858 /nfs/dbraw/zinc/48/08/58/981480858.db2.gz KIWNPNZKHVQFAA-CYBMUJFWSA-N 0 2 411.683 3.634 20 0 HHADLN Cc1cc(Br)ccc1NC(=O)CNC(=O)c1cc(F)cc(Cl)c1O ZINC000436636309 981486337 /nfs/dbraw/zinc/48/63/37/981486337.db2.gz VATUTRPOFMFWNM-UHFFFAOYSA-N 0 2 415.646 3.624 20 0 HHADLN O=C(NC[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1)Nc1cccc(F)c1 ZINC000436636271 981486376 /nfs/dbraw/zinc/48/63/76/981486376.db2.gz USDZVIQVOJUABY-LBPRGKRZSA-N 0 2 423.847 3.998 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000436639440 981488438 /nfs/dbraw/zinc/48/84/38/981488438.db2.gz PCMXLTBMJWSQHB-UHFFFAOYSA-N 0 2 401.240 3.935 20 0 HHADLN O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc(Br)cc(Cl)c1[O-] ZINC000436676050 981506147 /nfs/dbraw/zinc/50/61/47/981506147.db2.gz ZSXKZJQAMXWABI-UHFFFAOYSA-N 0 2 420.694 3.983 20 0 HHADLN Cc1nc(Cn2nnc(NC(=O)c3cc(-c4ccccc4)cc(Cl)c3O)c2C)no1 ZINC000436709065 981523352 /nfs/dbraw/zinc/52/33/52/981523352.db2.gz USSGRIWTYCRFMG-UHFFFAOYSA-N 0 2 424.848 3.605 20 0 HHADLN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1ccc(Cl)cc1O ZINC000436728500 981534741 /nfs/dbraw/zinc/53/47/41/981534741.db2.gz AHBDDKKTBNZVGK-UHFFFAOYSA-N 0 2 407.655 3.523 20 0 HHADLN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(Cl)cc1O ZINC000436728500 981534760 /nfs/dbraw/zinc/53/47/60/981534760.db2.gz AHBDDKKTBNZVGK-UHFFFAOYSA-N 0 2 407.655 3.523 20 0 HHADLN Cn1nccc1C1C[C@H]2CC[C@@H](C1)N2C(=O)c1cc(F)cc(Br)c1O ZINC000436741614 981540824 /nfs/dbraw/zinc/54/08/24/981540824.db2.gz UCBZBWXUYQHLHT-VGPLMAKISA-N 0 2 408.271 3.578 20 0 HHADLN CC[C@H](NC(=O)c1cc(F)cc(Cl)c1O)c1ccccc1OCC(=O)N(C)C ZINC000436766903 981552907 /nfs/dbraw/zinc/55/29/07/981552907.db2.gz AFBXZTXPCARGRV-INIZCTEOSA-N 0 2 408.857 3.533 20 0 HHADLN O=C(Nc1ccc(F)cn1)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000436768430 981553984 /nfs/dbraw/zinc/55/39/84/981553984.db2.gz IPVJZVSSRYNNDW-UHFFFAOYSA-N 0 2 421.837 3.633 20 0 HHADLN CCC1(CC)CN(C(=O)c2cc(Cl)cc(Br)c2O)CC[S@]1=O ZINC000436825006 981577631 /nfs/dbraw/zinc/57/76/31/981577631.db2.gz BTLJZSMMUAJLDT-JOCHJYFZSA-N 0 2 408.745 3.571 20 0 HHADLN CCC1(CC)CN(C(=O)c2cc(Cl)cc(Br)c2O)CC[S@@]1=O ZINC000436825005 981577782 /nfs/dbraw/zinc/57/77/82/981577782.db2.gz BTLJZSMMUAJLDT-QFIPXVFZSA-N 0 2 408.745 3.571 20 0 HHADLN CC(=O)c1ccc2c(c1)CCN(C(=O)c1cc(F)cc(Br)c1O)CC2 ZINC000436847311 981587827 /nfs/dbraw/zinc/58/78/27/981587827.db2.gz DSCDGTULAGOUIU-UHFFFAOYSA-N 0 2 406.251 3.737 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000436852196 981591452 /nfs/dbraw/zinc/59/14/52/981591452.db2.gz OFAOLCGCGXQGLJ-SNVBAGLBSA-N 0 2 410.243 3.574 20 0 HHADLN O=C(Nc1cc(F)cc(N2CCOCC2)c1)c1cc(F)cc(Br)c1O ZINC000436862806 981596370 /nfs/dbraw/zinc/59/63/70/981596370.db2.gz IGZNOXMJDQGECV-UHFFFAOYSA-N 0 2 413.218 3.522 20 0 HHADLN O=C(NC1CCN(c2cccnn2)CC1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436875036 981598678 /nfs/dbraw/zinc/59/86/78/981598678.db2.gz BYDNGEHXQFTHMX-UHFFFAOYSA-N 0 2 408.889 3.901 20 0 HHADLN CC(C)CCc1noc(-c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)n1 ZINC000436884964 981601034 /nfs/dbraw/zinc/60/10/34/981601034.db2.gz BUHXNYZPGZFXHQ-UHFFFAOYSA-N 0 2 401.488 3.509 20 0 HHADLN CN(C(=O)c1c(O)cccc1F)[C@@H]1CCCC[C@@H]1N(C)C(=O)c1c(O)cccc1F ZINC000436904760 981610931 /nfs/dbraw/zinc/61/09/31/981610931.db2.gz ZWULJEJMQHPTNB-IYBDPMFKSA-N 0 2 418.440 3.531 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000436912849 981618553 /nfs/dbraw/zinc/61/85/53/981618553.db2.gz UKULJFDVRFVIBS-MADCSZMMSA-N 0 2 416.621 3.584 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCC2(C1)Oc1ccccc1O2 ZINC000436926810 981628510 /nfs/dbraw/zinc/62/85/10/981628510.db2.gz NPGJJMSGXWNQSR-UHFFFAOYSA-N 0 2 410.651 3.822 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCCN(c2nccs2)CC1 ZINC000436930608 981630157 /nfs/dbraw/zinc/63/01/57/981630157.db2.gz YQBIZXUKDCBNNX-UHFFFAOYSA-N 0 2 416.728 3.617 20 0 HHADLN O=C(Nc1ccccc1N1CCC(O)CC1)c1cc(F)cc(Br)c1O ZINC000437001191 981678281 /nfs/dbraw/zinc/67/82/81/981678281.db2.gz VVHQVMUYIVRSDS-UHFFFAOYSA-N 0 2 409.255 3.507 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(F)c2)s1)c1cccc2ncccc21 ZINC000437176955 981832669 /nfs/dbraw/zinc/83/26/69/981832669.db2.gz RETHNMFODGJUDK-UHFFFAOYSA-N 0 2 400.460 3.617 20 0 HHADLN COc1c(C)cc(S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)s2)cc1C ZINC000437188796 981844846 /nfs/dbraw/zinc/84/48/46/981844846.db2.gz PVUILSMGBNCHKP-UHFFFAOYSA-N 0 2 407.492 3.694 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)NCc1cccnc1 ZINC000448542829 981871088 /nfs/dbraw/zinc/87/10/88/981871088.db2.gz NQUDBUDKWMVUHJ-UHFFFAOYSA-N 0 2 414.462 3.652 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCC1(c2ccccc2)CCOCC1 ZINC000460118713 981893514 /nfs/dbraw/zinc/89/35/14/981893514.db2.gz ZACDOKAELYJKME-UHFFFAOYSA-N 0 2 400.529 3.558 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCc1ccc(N2CCCCCC2)nc1 ZINC000460129597 981903593 /nfs/dbraw/zinc/90/35/93/981903593.db2.gz QZKBFYNNWHJMJW-UHFFFAOYSA-N 0 2 414.560 3.786 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N(Cc2ccccc2)C2CCCCC2)s[nH]1 ZINC000437279622 981934412 /nfs/dbraw/zinc/93/44/12/981934412.db2.gz XGHMRZLSVNNVBG-UHFFFAOYSA-N 0 2 400.548 3.558 20 0 HHADLN CCOC(=O)c1cccc(S(=O)(=O)Nc2ccnn2-c2ccc(Cl)cc2)c1 ZINC000437305861 981957371 /nfs/dbraw/zinc/95/73/71/981957371.db2.gz NABOXQOHEHIDST-UHFFFAOYSA-N 0 2 405.863 3.503 20 0 HHADLN CCc1cc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)n(C)n1 ZINC000437330972 981982497 /nfs/dbraw/zinc/98/24/97/981982497.db2.gz GQLFPSMERDUDNP-UHFFFAOYSA-N 0 2 412.231 3.565 20 0 HHADLN CCc1nc(NS(=O)(=O)c2cnn(-c3cc(Cl)ccc3OC)c2)sc1C ZINC000437347344 981997842 /nfs/dbraw/zinc/99/78/42/981997842.db2.gz SPDHEOYJAGUHAP-UHFFFAOYSA-N 0 2 412.924 3.662 20 0 HHADLN COc1ccc(-c2noc(CCC(=O)N3C[C@H](c4ccccc4C)OC[C@@H]3C)n2)cc1 ZINC000460384670 982163089 /nfs/dbraw/zinc/16/30/89/982163089.db2.gz YDAQCQVGPSOHDU-LAUBAEHRSA-N 0 2 421.497 3.975 20 0 HHADLN CC(C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC000437581452 982210111 /nfs/dbraw/zinc/21/01/11/982210111.db2.gz SEHLECJKDLURTA-UHFFFAOYSA-N 0 2 424.288 3.958 20 0 HHADLN COc1cc(NC(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)ccc1O ZINC000438075869 982573690 /nfs/dbraw/zinc/57/36/90/982573690.db2.gz BYBIJCQCKHYGPA-UHFFFAOYSA-N 0 2 418.496 3.824 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN4CCO[C@@H](c5ccco5)C4)nc(=O)c3s2)cc1 ZINC000438554416 982895283 /nfs/dbraw/zinc/89/52/83/982895283.db2.gz OLCQDNQQNLNSOH-GOSISDBHSA-N 0 2 423.494 3.827 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(F)c(Br)c2)n(-c2ccccc2)n1 ZINC000438790787 983072479 /nfs/dbraw/zinc/07/24/79/983072479.db2.gz ZYWYYZNFNOPHQL-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(Br)cc2C)cn1 ZINC000438809139 983084561 /nfs/dbraw/zinc/08/45/61/983084561.db2.gz KGOYEPZWZMYIFE-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN CC(C)Nc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cn1 ZINC000438900839 983143631 /nfs/dbraw/zinc/14/36/31/983143631.db2.gz YCTPDNKOJDOKPC-UHFFFAOYSA-N 0 2 419.258 3.841 20 0 HHADLN O=C(NCCCn1cc[nH+]c1)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC000438905016 983145913 /nfs/dbraw/zinc/14/59/13/983145913.db2.gz OSWCAVYPDBSFSO-UHFFFAOYSA-N 0 2 414.680 3.555 20 0 HHADLN CC(C)Cc1nnc(NS(=O)(=O)c2cc(Cl)ccc2Br)s1 ZINC000438984711 983195856 /nfs/dbraw/zinc/19/58/56/983195856.db2.gz LAXHMCNDHQSRLU-UHFFFAOYSA-N 0 2 410.746 3.953 20 0 HHADLN COCCn1cc(S(=O)(=O)Nc2cccc(CSCc3ccccc3)c2)cn1 ZINC000439038264 983222824 /nfs/dbraw/zinc/22/28/24/983222824.db2.gz IVJITXCUPWCNBB-UHFFFAOYSA-N 0 2 417.556 3.764 20 0 HHADLN COCCn1cc(S(=O)(=O)Nc2cccc(OCc3ccc(Cl)cc3)c2)cn1 ZINC000439046688 983226373 /nfs/dbraw/zinc/22/63/73/983226373.db2.gz YRRVQYPGAFWZOI-UHFFFAOYSA-N 0 2 421.906 3.563 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)=N1 ZINC000439071018 983236981 /nfs/dbraw/zinc/23/69/81/983236981.db2.gz OEJJXLWXCQJCFN-PEGYKEAPSA-N 0 2 411.527 3.711 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)NCCc2nc(C(F)(F)F)cs2)=N1 ZINC000439104605 983251464 /nfs/dbraw/zinc/25/14/64/983251464.db2.gz DWCYGAGGSQOPHG-UHFFFAOYSA-N 0 2 410.421 3.588 20 0 HHADLN O=S(=O)(Nc1ccc(F)c(-c2nc[nH]n2)c1)c1ccc(F)cc1C(F)(F)F ZINC000439247607 983330608 /nfs/dbraw/zinc/33/06/08/983330608.db2.gz NPPFLOCWBOBIGD-UHFFFAOYSA-N 0 2 404.320 3.570 20 0 HHADLN COc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c(F)c1 ZINC000439248142 983330634 /nfs/dbraw/zinc/33/06/34/983330634.db2.gz OPCBMDMQCGYCJN-UHFFFAOYSA-N 0 2 409.190 3.773 20 0 HHADLN CC(=O)c1csc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c1 ZINC000439249200 983330874 /nfs/dbraw/zinc/33/08/74/983330874.db2.gz RAPZJRWHZWRUTD-UHFFFAOYSA-N 0 2 409.240 3.890 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NC1CCN(c2nccs2)CC1 ZINC000439367066 983381222 /nfs/dbraw/zinc/38/12/22/983381222.db2.gz DVEFPIMWULZJCI-UHFFFAOYSA-N 0 2 420.951 3.527 20 0 HHADLN CC(C)n1cnnc1-c1ccccc1NS(=O)(=O)c1ccccc1OC(F)F ZINC000439867573 983561697 /nfs/dbraw/zinc/56/16/97/983561697.db2.gz BMDFLKVOZTYFBC-UHFFFAOYSA-N 0 2 408.430 3.928 20 0 HHADLN O=S(=O)(Nc1cccc2c1CN(CC(F)(F)F)C2)c1cnn(-c2ccccc2)c1 ZINC000440080783 983636483 /nfs/dbraw/zinc/63/64/83/983636483.db2.gz YZAHUYUULLQOQP-UHFFFAOYSA-N 0 2 422.432 3.551 20 0 HHADLN O=C1CCC(=O)N1c1ccccc1NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440302957 983712033 /nfs/dbraw/zinc/71/20/33/983712033.db2.gz KXRQTCFQZJQVLC-UHFFFAOYSA-N 0 2 414.870 3.947 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2OC(F)F)cc1Cl ZINC000440814860 983918405 /nfs/dbraw/zinc/91/84/05/983918405.db2.gz FYPHRSCJVCYEHP-UHFFFAOYSA-N 0 2 409.769 3.668 20 0 HHADLN CCCCc1[nH]c2ccc(NS(=O)(=O)c3ccc(CC)c(C(=O)[O-])c3)cc2[nH+]1 ZINC000440826925 983925370 /nfs/dbraw/zinc/92/53/70/983925370.db2.gz WEUVPHNGTQJXRI-UHFFFAOYSA-N 0 2 401.488 3.967 20 0 HHADLN CCc1nc(NS(=O)(=O)c2cc(Cl)sc2Cl)sc1C(=O)OC ZINC000441353531 984203099 /nfs/dbraw/zinc/20/30/99/984203099.db2.gz GTEDOKNRCNHETG-UHFFFAOYSA-N 0 2 401.318 3.661 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@@]1(CO)CCCc2ccccc21 ZINC000441792205 984456807 /nfs/dbraw/zinc/45/68/07/984456807.db2.gz YDYPJDKBCYVLII-HXUWFJFHSA-N 0 2 414.918 3.626 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N2CCCC[C@H]2CCCc2ccccc2)s[nH]1 ZINC000442232160 984751915 /nfs/dbraw/zinc/75/19/15/984751915.db2.gz WTNUSLKZPYZBSV-KRWDZBQOSA-N 0 2 414.575 3.600 20 0 HHADLN Cc1ccc(-c2nsc(NS(=O)(=O)c3ccc(C(=O)C(C)C)cc3)n2)s1 ZINC000442609744 985090100 /nfs/dbraw/zinc/09/01/00/985090100.db2.gz ZUOLEGHZOMQQFV-UHFFFAOYSA-N 0 2 407.542 3.636 20 0 HHADLN C[C@H](Cc1nnc(NS(=O)(=O)c2ccc(Br)o2)o1)CC(C)(C)C ZINC000442614190 985092466 /nfs/dbraw/zinc/09/24/66/985092466.db2.gz HERNLRUOAYRVFC-SECBINFHSA-N 0 2 406.302 3.841 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1N(C)C ZINC000442806918 985221704 /nfs/dbraw/zinc/22/17/04/985221704.db2.gz CXZGOVQPCANGGS-UHFFFAOYSA-N 0 2 422.450 3.729 20 0 HHADLN O=S(=O)(Nc1ccc(OC(F)(F)F)cc1O)c1ccc(C(F)(F)F)nc1 ZINC000442845486 985243533 /nfs/dbraw/zinc/24/35/33/985243533.db2.gz XYDUGIHMKSDMJK-UHFFFAOYSA-N 0 2 402.272 3.505 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)c(F)c1Cl ZINC000462300327 985286678 /nfs/dbraw/zinc/28/66/78/985286678.db2.gz VDVYEHLCHDUWMI-DGCLKSJQSA-N 0 2 418.824 3.550 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2cc(Br)c(C)cc2OC)c1 ZINC000462373390 985358366 /nfs/dbraw/zinc/35/83/66/985358366.db2.gz OPAFJMVXHBSJDP-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN Cc1cnn(Cc2ccccc2F)c1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000443147144 985407517 /nfs/dbraw/zinc/40/75/17/985407517.db2.gz VEDLQHHOYTUVJL-UHFFFAOYSA-N 0 2 414.384 3.594 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2ccc(C)c(F)c2)c(F)c1Cl ZINC000462444869 985409966 /nfs/dbraw/zinc/40/99/66/985409966.db2.gz AKUKEZVUKBNSQG-UHFFFAOYSA-N 0 2 406.813 3.503 20 0 HHADLN Cc1ccc2oc(-c3nnc(NS(=O)(=O)c4cnn(-c5ccccc5)c4)o3)cc2c1 ZINC000443152315 985410888 /nfs/dbraw/zinc/41/08/88/985410888.db2.gz AONUYFBBGNSMCQ-UHFFFAOYSA-N 0 2 421.438 3.778 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cnc(N2CCCC[C@@H]2C)c(C)c1 ZINC000443157804 985414808 /nfs/dbraw/zinc/41/48/08/985414808.db2.gz LRNJBGYTDFZWJH-AWEZNQCLSA-N 0 2 423.560 3.726 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cnccc2C(F)(F)F)cnc1N1CCCC[C@H]1C ZINC000443158453 985415676 /nfs/dbraw/zinc/41/56/76/985415676.db2.gz OMLAGRNHGWBGQP-CYBMUJFWSA-N 0 2 414.453 3.983 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)c2cc(C)oc2C)c(F)c1Cl ZINC000462510271 985461611 /nfs/dbraw/zinc/46/16/11/985461611.db2.gz KSWJAFZYNSFCQS-QMMMGPOBSA-N 0 2 406.838 3.826 20 0 HHADLN Cc1c2cc(Cl)ccc2sc1CNC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000443324051 985494018 /nfs/dbraw/zinc/49/40/18/985494018.db2.gz XIYXHDOHIYPBNJ-UHFFFAOYSA-N 0 2 422.963 3.689 20 0 HHADLN CSc1cc2c(cc1NS(=O)(=O)c1cccc3c1OC(C)(C)C3)OCCO2 ZINC000443409571 985564821 /nfs/dbraw/zinc/56/48/21/985564821.db2.gz OKHSKNKRLOJWDY-UHFFFAOYSA-N 0 2 407.513 3.694 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)cc1F ZINC000443411589 985566744 /nfs/dbraw/zinc/56/67/44/985566744.db2.gz SESXXQVDDJEQAE-UHFFFAOYSA-N 0 2 401.463 3.773 20 0 HHADLN CCc1cccnc1NS(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000443419213 985575309 /nfs/dbraw/zinc/57/53/09/985575309.db2.gz VFZRJBUNJOISIV-UHFFFAOYSA-N 0 2 405.701 3.869 20 0 HHADLN Cc1c(COc2ccccc2)cccc1NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000443463266 985637421 /nfs/dbraw/zinc/63/74/21/985637421.db2.gz IMVCZCGMQJFSIP-GOSISDBHSA-N 0 2 413.499 3.533 20 0 HHADLN CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c1 ZINC000443468646 985643693 /nfs/dbraw/zinc/64/36/93/985643693.db2.gz PMWKDLUPMWZECI-UHFFFAOYSA-N 0 2 422.812 3.528 20 0 HHADLN Cc1[nH]c2ccccc2c1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443581308 985756532 /nfs/dbraw/zinc/75/65/32/985756532.db2.gz LCDYMZBGBJKQNX-UHFFFAOYSA-N 0 2 412.496 3.986 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccc(-n2cccc2)c1 ZINC000443582697 985757228 /nfs/dbraw/zinc/75/72/28/985757228.db2.gz OHWFTQBXTNYJDL-UHFFFAOYSA-N 0 2 424.507 3.987 20 0 HHADLN Cc1cccc([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000443586422 985761961 /nfs/dbraw/zinc/76/19/61/985761961.db2.gz VMASNATVMYGBMW-CQSZACIVSA-N 0 2 401.513 3.995 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccnc2ccccc21 ZINC000443590412 985765966 /nfs/dbraw/zinc/76/59/66/985765966.db2.gz NJMOETNESIQLNB-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccccc2)s[nH]1 ZINC000443603740 985781092 /nfs/dbraw/zinc/78/10/92/985781092.db2.gz JUKOTMFYGUJTKK-QGZVFWFLSA-N 0 2 423.542 3.629 20 0 HHADLN O=S(=O)(Cc1ncc(-c2ccc(Br)cc2)o1)c1nc2ccccc2[nH]1 ZINC000462967951 985914159 /nfs/dbraw/zinc/91/41/59/985914159.db2.gz RUWPPXHMVNTZMN-UHFFFAOYSA-N 0 2 418.272 3.954 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cccc2c1OCCC2 ZINC000468344029 986040362 /nfs/dbraw/zinc/04/03/62/986040362.db2.gz MPJYDABRQYNLQO-CYBMUJFWSA-N 0 2 411.907 3.880 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1O ZINC000468347877 986044338 /nfs/dbraw/zinc/04/43/38/986044338.db2.gz IPYKPVJWBWLYON-JTQLQIEISA-N 0 2 406.287 3.914 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000468367137 986066170 /nfs/dbraw/zinc/06/61/70/986066170.db2.gz KSUNEQQQFCULDE-UHFFFAOYSA-N 0 2 420.462 3.924 20 0 HHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000463107504 986069190 /nfs/dbraw/zinc/06/91/90/986069190.db2.gz UELSERAZQCAPBB-MRVPVSSYSA-N 0 2 401.196 3.969 20 0 HHADLN CSCC[C@@H](NC(=O)c1ccco1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000463111287 986073867 /nfs/dbraw/zinc/07/38/67/986073867.db2.gz WRDPUCXLMZVSDI-GFCCVEGCSA-N 0 2 403.287 3.782 20 0 HHADLN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)S(=O)(=O)c2cccc(C(F)(F)F)c2)c1C ZINC000468399782 986098661 /nfs/dbraw/zinc/09/86/61/986098661.db2.gz OYFGNRXHPCEPMA-GFCCVEGCSA-N 0 2 401.406 3.898 20 0 HHADLN CC(=O)N[C@@H](CC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1ccccc1 ZINC000463161896 986133714 /nfs/dbraw/zinc/13/37/14/986133714.db2.gz JKGMBOISGWAEJE-INIZCTEOSA-N 0 2 418.284 3.985 20 0 HHADLN CC(=O)N[C@H](CC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1ccccc1 ZINC000463161897 986134134 /nfs/dbraw/zinc/13/41/34/986134134.db2.gz JKGMBOISGWAEJE-MRXNPFEDSA-N 0 2 418.284 3.985 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1ccc(-n2cncn2)cc1 ZINC000463164612 986136214 /nfs/dbraw/zinc/13/62/14/986136214.db2.gz UNEVSWUHWTVHQT-UHFFFAOYSA-N 0 2 400.229 3.612 20 0 HHADLN O=S(=O)(Nc1cccc(CN2CCSCC2)c1)c1ccc(F)cc1Cl ZINC000444040461 986237985 /nfs/dbraw/zinc/23/79/85/986237985.db2.gz XUZPUOXCKPNOQP-UHFFFAOYSA-N 0 2 400.928 3.829 20 0 HHADLN O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1cnc(-c2ccccc2)nc1 ZINC000444048794 986246331 /nfs/dbraw/zinc/24/63/31/986246331.db2.gz KEBQXNZQCLFLBS-UHFFFAOYSA-N 0 2 402.479 3.930 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccccc2SC)nc1C(C)(C)C ZINC000444053333 986252452 /nfs/dbraw/zinc/25/24/52/986252452.db2.gz VOAXOHKWCXMUSA-UHFFFAOYSA-N 0 2 400.547 3.750 20 0 HHADLN CSc1ccccc1S(=O)(=O)Nc1ncc(I)cc1C ZINC000444053438 986252517 /nfs/dbraw/zinc/25/25/17/986252517.db2.gz JIJDJBABAPVESC-UHFFFAOYSA-N 0 2 420.297 3.517 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3csc(-c4ccccc4)n3)o2)c(C)o1 ZINC000444054212 986253519 /nfs/dbraw/zinc/25/35/19/986253519.db2.gz DZFOWCQOBKLRLI-UHFFFAOYSA-N 0 2 402.457 3.871 20 0 HHADLN O=C(NCC1(c2ccc(Cl)cc2)CCOCC1)C1=NN(c2ccccc2)CC1=O ZINC000468615022 986329331 /nfs/dbraw/zinc/32/93/31/986329331.db2.gz IQKDSNUQDWFDRT-UHFFFAOYSA-N 0 2 411.889 3.710 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nnc(-c3ccccc3)o2)cnn1-c1ccc(Cl)cc1 ZINC000463371261 986337568 /nfs/dbraw/zinc/33/75/68/986337568.db2.gz WLSMMWHKVFWOAL-UHFFFAOYSA-N 0 2 415.862 3.685 20 0 HHADLN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2c(Cl)ccc3ccccc32)s1 ZINC000444191836 986370090 /nfs/dbraw/zinc/37/00/90/986370090.db2.gz FSMKSNYQPZSQPB-UHFFFAOYSA-N 0 2 405.892 3.844 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC(OCCc3ccccc3)CC2)=N1 ZINC000468669904 986379089 /nfs/dbraw/zinc/37/90/89/986379089.db2.gz YXPMKTMPNBCOGF-UHFFFAOYSA-N 0 2 423.488 3.889 20 0 HHADLN Cn1cc(NS(=O)(=O)c2ccc(Br)cc2Cl)c(C(F)(F)F)n1 ZINC000463437089 986413749 /nfs/dbraw/zinc/41/37/49/986413749.db2.gz CQYGQXJBUUJIPF-UHFFFAOYSA-N 0 2 418.622 3.656 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NCCc2nc(-c3ccncc3)cs2)=N1 ZINC000468704222 986417742 /nfs/dbraw/zinc/41/77/42/986417742.db2.gz QNWJHZVEXFNJSS-UHFFFAOYSA-N 0 2 423.473 3.516 20 0 HHADLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000463440227 986417781 /nfs/dbraw/zinc/41/77/81/986417781.db2.gz DQZSSKNUYBAVNK-UHFFFAOYSA-N 0 2 422.869 3.872 20 0 HHADLN CC(C)c1ccccc1S(=O)(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000468845771 986555983 /nfs/dbraw/zinc/55/59/83/986555983.db2.gz FVTZJDLNSYOEOQ-UHFFFAOYSA-N 0 2 410.542 3.624 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N1CCC[C@H]2CCC[C@H]21 ZINC000444396626 986574624 /nfs/dbraw/zinc/57/46/24/986574624.db2.gz NQFHIGBUVRSCOM-CZUORRHYSA-N 0 2 406.533 3.740 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000463654359 986633228 /nfs/dbraw/zinc/63/32/28/986633228.db2.gz HUVTWOBZGOAGET-HXUWFJFHSA-N 0 2 414.556 3.538 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc2cc(Cl)ccc2s1 ZINC000468967845 986671769 /nfs/dbraw/zinc/67/17/69/986671769.db2.gz NGMFQBMSYPVLEB-UHFFFAOYSA-N 0 2 416.883 3.915 20 0 HHADLN CC[C@H]1CCc2nc(NS(=O)(=O)c3cc(F)ccc3OCCOC)sc2C1 ZINC000468973637 986677888 /nfs/dbraw/zinc/67/78/88/986677888.db2.gz NQNQVSAOKOCLBH-LBPRGKRZSA-N 0 2 414.524 3.623 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)c2c(Cl)cccc2I)s[nH]1 ZINC000463711149 986697828 /nfs/dbraw/zinc/69/78/28/986697828.db2.gz IZBUFVXDPVCCJP-UHFFFAOYSA-N 0 2 421.691 3.768 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2C)cn1 ZINC000463781935 986772470 /nfs/dbraw/zinc/77/24/70/986772470.db2.gz JPFPTQPEKZKAAH-UHFFFAOYSA-N 0 2 418.906 3.918 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc2c(ccc(F)c2F)s1 ZINC000469125169 986843962 /nfs/dbraw/zinc/84/39/62/986843962.db2.gz YYFYGBOTZGHJHB-UHFFFAOYSA-N 0 2 418.418 3.540 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)c1cccc(=O)[nH]1 ZINC000469512756 987189186 /nfs/dbraw/zinc/18/91/86/987189186.db2.gz WDBZTUGIDOSDKD-UHFFFAOYSA-N 0 2 421.837 3.633 20 0 HHADLN CCOc1cc(-c2noc(-c3cc(-c4c(C)nn(C)c4C)n[nH]3)n2)cc(Cl)c1O ZINC000445432806 987505273 /nfs/dbraw/zinc/50/52/73/987505273.db2.gz VMKYGKRAIHELSJ-UHFFFAOYSA-N 0 2 414.853 3.902 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(C3CCSCC3)no2)cc1 ZINC000445543048 987599064 /nfs/dbraw/zinc/59/90/64/987599064.db2.gz XMRZASLNVQONQL-UHFFFAOYSA-N 0 2 408.530 3.605 20 0 HHADLN O=S(=O)(c1ccc(O)c(-c2nc(-c3coc4ccccc34)no2)c1)N1CCCC1 ZINC000445578373 987644460 /nfs/dbraw/zinc/64/44/60/987644460.db2.gz FNELWCMGCZYDDX-UHFFFAOYSA-N 0 2 411.439 3.640 20 0 HHADLN COCc1cc(C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)no1 ZINC000463822188 987919254 /nfs/dbraw/zinc/91/92/54/987919254.db2.gz AXASHDWZTIOYMN-UHFFFAOYSA-N 0 2 408.439 3.806 20 0 HHADLN O=C(Nc1cc(C2CCOCC2)[nH]n1)c1[nH]nc(-c2ccccc2)c1Br ZINC000464287145 988408451 /nfs/dbraw/zinc/40/84/51/988408451.db2.gz TVBFLXDUMGJFAV-UHFFFAOYSA-N 0 2 416.279 3.709 20 0 HHADLN Cc1c2cc(Cl)ccc2oc1S(=O)(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000470552494 988565896 /nfs/dbraw/zinc/56/58/96/988565896.db2.gz WWDLNAONFHOMRO-UHFFFAOYSA-N 0 2 423.903 3.926 20 0 HHADLN CCOc1c(Cl)cc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1Cl ZINC000464542019 988719132 /nfs/dbraw/zinc/71/91/32/988719132.db2.gz YPZXJBVPFCOJBO-UHFFFAOYSA-N 0 2 424.327 3.596 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2C[C@@H](C)O[C@@H](c3ccsc3)C2)=N1 ZINC000470756834 988798530 /nfs/dbraw/zinc/79/85/30/988798530.db2.gz QDWSCIYGGLINIO-FZKQIMNGSA-N 0 2 401.463 3.689 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN4C[C@H](C)O[C@@H](C5CC5)C4)nc(=O)c3s2)cc1 ZINC000470913536 988989932 /nfs/dbraw/zinc/98/99/32/988989932.db2.gz PZIYMGRYOPVHIR-SCLBCKFNSA-N 0 2 411.527 3.660 20 0 HHADLN Cn1cc(-c2nc3ccccn3c2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cn1 ZINC000464900189 989172291 /nfs/dbraw/zinc/17/22/91/989172291.db2.gz CERBMQJQBDKKCG-UHFFFAOYSA-N 0 2 421.404 3.554 20 0 HHADLN Cn1cc(-c2nc3ccccn3c2NS(=O)(=O)c2cccc3ccccc32)cn1 ZINC000464902856 989175811 /nfs/dbraw/zinc/17/58/11/989175811.db2.gz KMBWNVNLQPRBKK-UHFFFAOYSA-N 0 2 403.467 3.689 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cc(F)cc(F)c2OC)ccc1Br ZINC000471121793 989226845 /nfs/dbraw/zinc/22/68/45/989226845.db2.gz UFORQFWSCKGHCJ-UHFFFAOYSA-N 0 2 408.220 3.545 20 0 HHADLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3nnc(C(C)(C)c4ccccc4)s3)ccc2O1 ZINC000471497666 989695647 /nfs/dbraw/zinc/69/56/47/989695647.db2.gz YMUQRMGCRKLGNU-CYBMUJFWSA-N 0 2 415.540 3.988 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)c(Cl)cc1F ZINC000471499244 989696503 /nfs/dbraw/zinc/69/65/03/989696503.db2.gz CJQXJXKVSLDKOK-AWEZNQCLSA-N 0 2 412.914 3.982 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)c(Cl)cc1F ZINC000471499245 989696573 /nfs/dbraw/zinc/69/65/73/989696573.db2.gz CJQXJXKVSLDKOK-CQSZACIVSA-N 0 2 412.914 3.982 20 0 HHADLN COc1ccsc1S(=O)(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000471507640 989705772 /nfs/dbraw/zinc/70/57/72/989705772.db2.gz NCTZLDCSIVCNMG-UHFFFAOYSA-N 0 2 402.469 3.883 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(C)cc3)s2)c(C)c1 ZINC000471510287 989709072 /nfs/dbraw/zinc/70/90/72/989709072.db2.gz JLHLVNLCUGIRGF-UHFFFAOYSA-N 0 2 403.529 3.945 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cs1 ZINC000471523347 989723251 /nfs/dbraw/zinc/72/32/51/989723251.db2.gz PZLHGILCKWKFOI-UHFFFAOYSA-N 0 2 423.541 3.513 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1 ZINC000471915562 990082974 /nfs/dbraw/zinc/08/29/74/990082974.db2.gz RFNBONVYOBFMIJ-UHFFFAOYSA-N 0 2 407.927 3.840 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(Br)cc2C)n(Cc2ccccn2)n1 ZINC000471927036 990093456 /nfs/dbraw/zinc/09/34/56/990093456.db2.gz KSXPZUCTMOMJRJ-UHFFFAOYSA-N 0 2 421.320 3.507 20 0 HHADLN CCCNC(=O)c1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)cc1Cl ZINC000471947029 990111439 /nfs/dbraw/zinc/11/14/39/990111439.db2.gz CVSAVIMZDIZAFD-UHFFFAOYSA-N 0 2 409.870 3.901 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000466249250 991485422 /nfs/dbraw/zinc/48/54/22/991485422.db2.gz FBNXFOBKNDXRLS-UHFFFAOYSA-N 0 2 407.463 3.872 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000466293008 991542919 /nfs/dbraw/zinc/54/29/19/991542919.db2.gz IXXQHSNDNHTULT-UHFFFAOYSA-N 0 2 419.434 3.587 20 0 HHADLN COCCc1ccccc1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000466427705 991717102 /nfs/dbraw/zinc/71/71/02/991717102.db2.gz CUZMNZPTPKRZAN-UHFFFAOYSA-N 0 2 406.248 3.717 20 0 HHADLN CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)[nH]n1 ZINC000466957898 992268086 /nfs/dbraw/zinc/26/80/86/992268086.db2.gz OADQECSHKCQSRC-UONOGXRCSA-N 0 2 411.499 3.669 20 0 HHADLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4CC)sc2C1 ZINC000467013791 992321511 /nfs/dbraw/zinc/32/15/11/992321511.db2.gz LXXZPBDAMOWAEE-GFCCVEGCSA-N 0 2 421.544 3.777 20 0 HHADLN CC(=O)N(C)c1cccc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c1 ZINC000467081325 992387712 /nfs/dbraw/zinc/38/77/12/992387712.db2.gz ZLDCVICZCJKICI-UHFFFAOYSA-N 0 2 418.906 3.618 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)cn1C ZINC000467094886 992401066 /nfs/dbraw/zinc/40/10/66/992401066.db2.gz ZRCXLFYFTIQXCU-HNNXBMFYSA-N 0 2 414.483 3.753 20 0 HHADLN COc1cc2nc(C)sc2cc1NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000467145859 992462355 /nfs/dbraw/zinc/46/23/55/992462355.db2.gz AJWWTBBPAULVBS-UHFFFAOYSA-N 0 2 415.500 3.988 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3CCCc4[nH]ncc43)cc2)cc1 ZINC000467289242 992612674 /nfs/dbraw/zinc/61/26/74/992612674.db2.gz SBPHXURERGXWRB-GOSISDBHSA-N 0 2 410.499 3.578 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000467329930 992651947 /nfs/dbraw/zinc/65/19/47/992651947.db2.gz MMKQVXLIKFWXTK-UHFFFAOYSA-N 0 2 402.451 3.989 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)c(C(F)(F)F)c1 ZINC000467402944 992710804 /nfs/dbraw/zinc/71/08/04/992710804.db2.gz GIMFSKYUWIYADS-UHFFFAOYSA-N 0 2 422.768 3.603 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1cn(C(C)C)cn1 ZINC000467609774 992876536 /nfs/dbraw/zinc/87/65/36/992876536.db2.gz BTWDJJIKTKWLRS-UHFFFAOYSA-N 0 2 416.478 3.965 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(OC(F)(F)F)cc1 ZINC000472133736 993186144 /nfs/dbraw/zinc/18/61/44/993186144.db2.gz BFUCWQJFPFRMLG-UHFFFAOYSA-N 0 2 407.352 3.604 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ncc(-c2ccccc2)s1 ZINC000472158105 993209080 /nfs/dbraw/zinc/20/90/80/993209080.db2.gz NQYPIQOXKJSXBC-UHFFFAOYSA-N 0 2 406.471 3.829 20 0 HHADLN Cc1nc2cc(C(=O)Nc3cccc(S(=O)(=O)Nc4nccs4)c3)ccc2o1 ZINC000472268509 993291418 /nfs/dbraw/zinc/29/14/18/993291418.db2.gz HWHUUWVQPRCJCU-UHFFFAOYSA-N 0 2 414.468 3.646 20 0 HHADLN CN1CC[C@H](NC(=O)N=c2nc(C(C)(C)C)[nH]s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472304382 993316881 /nfs/dbraw/zinc/31/68/81/993316881.db2.gz IDJQABJELXKLOG-UONOGXRCSA-N 0 2 411.934 3.617 20 0 HHADLN Cc1ccc(CS(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c(F)c1 ZINC000480922717 993776161 /nfs/dbraw/zinc/77/61/61/993776161.db2.gz XVDBTNSNTMUVBQ-SFHVURJKSA-N 0 2 400.479 3.586 20 0 HHADLN O=S(=O)(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1cccc(Cl)c1F ZINC000481021907 993865222 /nfs/dbraw/zinc/86/52/22/993865222.db2.gz JJFXCAIYTLYFJO-UHFFFAOYSA-N 0 2 401.250 3.573 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000473311248 994170741 /nfs/dbraw/zinc/17/07/41/994170741.db2.gz SOFIUPMARQWJME-SFHVURJKSA-N 0 2 413.424 3.678 20 0 HHADLN Cc1ccc([C@H]2COCCN2C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)o1 ZINC000481460656 994296047 /nfs/dbraw/zinc/29/60/47/994296047.db2.gz BGDKTDNIYZIIQY-CQSZACIVSA-N 0 2 404.879 3.787 20 0 HHADLN CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2C)c1 ZINC000473478701 994322658 /nfs/dbraw/zinc/32/26/58/994322658.db2.gz FRNOINUKJUVPNX-UHFFFAOYSA-N 0 2 417.462 3.606 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cccc(Oc3ccccn3)c2)cnn1-c1ccccn1 ZINC000481574794 994412948 /nfs/dbraw/zinc/41/29/48/994412948.db2.gz UFKUFQCACWPFOG-UHFFFAOYSA-N 0 2 407.455 3.564 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cccc(OCCC(C)C)c2)cnn1-c1ccccn1 ZINC000481614729 994472349 /nfs/dbraw/zinc/47/23/49/994472349.db2.gz QQHZVMHOGBKKIG-UHFFFAOYSA-N 0 2 400.504 3.801 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](c3ccc(C)cc3)c3ccccn3)=N2)cc1 ZINC000473602576 994483174 /nfs/dbraw/zinc/48/31/74/994483174.db2.gz YFSACUYJRYQHQN-JOCHJYFZSA-N 0 2 414.465 3.809 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc2oc(C3CC3)nc2c1 ZINC000473640139 994522081 /nfs/dbraw/zinc/52/20/81/994522081.db2.gz RRMACOCFLHYWEH-UHFFFAOYSA-N 0 2 404.430 3.724 20 0 HHADLN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473655036 994541198 /nfs/dbraw/zinc/54/11/98/994541198.db2.gz AKTCJCGITBYGDY-UHFFFAOYSA-N 0 2 422.489 3.608 20 0 HHADLN O=S(=O)(Nc1ncc(C(F)(F)F)s1)c1ccc(Br)c(F)c1 ZINC000473755912 994665441 /nfs/dbraw/zinc/66/54/41/994665441.db2.gz IPKHQHIRKKCDFB-UHFFFAOYSA-N 0 2 405.192 3.864 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)sc1Cl ZINC000473758733 994670385 /nfs/dbraw/zinc/67/03/85/994670385.db2.gz QNGWYEMBKLEBFQ-QWRGUYRKSA-N 0 2 421.997 3.576 20 0 HHADLN CCCc1nnc(NS(=O)(=O)c2ccc3sc(C(=O)OCC)cc3c2)s1 ZINC000481823421 994674249 /nfs/dbraw/zinc/67/42/49/994674249.db2.gz KCIDQPQMZIOAME-UHFFFAOYSA-N 0 2 411.530 3.683 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000473770118 994690146 /nfs/dbraw/zinc/69/01/46/994690146.db2.gz ILNFKCGHLOPMLY-FQEVSTJZSA-N 0 2 412.902 3.944 20 0 HHADLN Cc1cccc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)c1Br ZINC000473779193 994701403 /nfs/dbraw/zinc/70/14/03/994701403.db2.gz CYENJBKGNWOWLD-UHFFFAOYSA-N 0 2 416.279 3.776 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3cccc4cc(C)cnc43)o2)cc1 ZINC000481847848 994703426 /nfs/dbraw/zinc/70/34/26/994703426.db2.gz QJBNIYOYRWIZLN-UHFFFAOYSA-N 0 2 410.455 3.793 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3nc4cc(F)c(C)cc4s3)cc2C[C@H]1C ZINC000481867166 994727782 /nfs/dbraw/zinc/72/77/82/994727782.db2.gz LDMBLYJUGGWEEO-LLVKDONJSA-N 0 2 419.503 3.842 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1ccc2c(c1)OCO2 ZINC000481867109 994728135 /nfs/dbraw/zinc/72/81/35/994728135.db2.gz XXJOVIQUYBVPTR-UHFFFAOYSA-N 0 2 413.839 3.527 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1CCSc2c(F)cccc21 ZINC000473895376 994850192 /nfs/dbraw/zinc/85/01/92/994850192.db2.gz MFWMTCJFYUABDC-INIZCTEOSA-N 0 2 413.478 3.559 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2)c2ccccc12 ZINC000481965501 994853612 /nfs/dbraw/zinc/85/36/12/994853612.db2.gz YESHSAFLNUVIGD-UHFFFAOYSA-N 0 2 406.467 3.989 20 0 HHADLN Cc1cccc([C@H](NC(=O)NCc2nnc(COc3ccccc3)[nH]2)C(F)(F)F)c1 ZINC000482033407 994950913 /nfs/dbraw/zinc/95/09/13/994950913.db2.gz SAAHIZBFPMYEPA-SFHVURJKSA-N 0 2 419.407 3.795 20 0 HHADLN CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474028525 995020084 /nfs/dbraw/zinc/02/00/84/995020084.db2.gz FSYQKVGXXNPORH-LJQANCHMSA-N 0 2 411.481 3.589 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000474030478 995021164 /nfs/dbraw/zinc/02/11/64/995021164.db2.gz JUIVRBQPASHKIZ-KRWDZBQOSA-N 0 2 423.370 3.626 20 0 HHADLN C[C@H](c1cc(F)ccc1F)N(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474073923 995059121 /nfs/dbraw/zinc/05/91/21/995059121.db2.gz OKUHPCRMPPDVCQ-CYBMUJFWSA-N 0 2 401.417 3.565 20 0 HHADLN Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474074529 995060683 /nfs/dbraw/zinc/06/06/83/995060683.db2.gz MAAVFRZQKOAQPV-SFHVURJKSA-N 0 2 423.521 3.551 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000474086991 995069067 /nfs/dbraw/zinc/06/90/67/995069067.db2.gz DCDXQJNVDXGAIQ-UHFFFAOYSA-N 0 2 413.428 3.536 20 0 HHADLN CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2nnc(COc3ccccc3)[nH]2)s1 ZINC000474087709 995069954 /nfs/dbraw/zinc/06/99/54/995069954.db2.gz HJPCBIUMYXWDMJ-CQSZACIVSA-N 0 2 414.535 3.614 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCC[C@H](Cc2ccccc2)C1 ZINC000474088327 995070681 /nfs/dbraw/zinc/07/06/81/995070681.db2.gz JWFADCSOUATWPB-LJQANCHMSA-N 0 2 405.502 3.548 20 0 HHADLN CC[C@H](Cc1ccccc1)N(CC)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474087997 995070781 /nfs/dbraw/zinc/07/07/81/995070781.db2.gz MJTPPTRDSRTXJA-LJQANCHMSA-N 0 2 407.518 3.937 20 0 HHADLN C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1 ZINC000474091716 995074665 /nfs/dbraw/zinc/07/46/65/995074665.db2.gz ZPUZQTAKLAECKK-KXBFYZLASA-N 0 2 409.465 3.816 20 0 HHADLN C[C@]1(c2ccccc2)CCCN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1 ZINC000474093552 995076061 /nfs/dbraw/zinc/07/60/61/995076061.db2.gz FFTDWRSUXVRPAS-QHCPKHFHSA-N 0 2 405.502 3.647 20 0 HHADLN Cc1ccc([C@@H]2CSCCN2C(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000474095556 995077420 /nfs/dbraw/zinc/07/74/20/995077420.db2.gz MMVNNBPYRQYRJT-IBGZPJMESA-N 0 2 423.542 3.692 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N(Cc1ccco1)Cc1cccs1 ZINC000474097944 995079383 /nfs/dbraw/zinc/07/93/83/995079383.db2.gz SZGNSHCVTPHMOG-UHFFFAOYSA-N 0 2 423.498 3.950 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2Cl)cc1F ZINC000474308041 995295670 /nfs/dbraw/zinc/29/56/70/995295670.db2.gz KLDWMKNOLSIJJQ-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN O=S(=O)(Nc1ccc2nn[nH]c2c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000474406396 995373850 /nfs/dbraw/zinc/37/38/50/995373850.db2.gz ANHFYJYCKDVANF-UHFFFAOYSA-N 0 2 421.198 3.540 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccn2)s1)c1ccc(OC(F)F)c(Cl)c1 ZINC000474422673 995385959 /nfs/dbraw/zinc/38/59/59/995385959.db2.gz UNFVGURTHUUTDM-UHFFFAOYSA-N 0 2 418.834 3.656 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cc(C4CCCCCC4)n[nH]3)cc21 ZINC000474426667 995389791 /nfs/dbraw/zinc/38/97/91/995389791.db2.gz LBJOSKDJBXCGEE-UHFFFAOYSA-N 0 2 402.520 3.557 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cnc(Cc2ccc(F)cc2)s1 ZINC000474576591 995537670 /nfs/dbraw/zinc/53/76/70/995537670.db2.gz OEHXJNJLEBCJMJ-UHFFFAOYSA-N 0 2 423.473 3.500 20 0 HHADLN Cc1nc(-c2cccs2)ccc1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474584265 995544281 /nfs/dbraw/zinc/54/42/81/995544281.db2.gz JEUQRIINWLSZRF-UHFFFAOYSA-N 0 2 405.483 3.746 20 0 HHADLN COc1ccc2c(c1)CCC[C@H]2CC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474586485 995546129 /nfs/dbraw/zinc/54/61/29/995546129.db2.gz PDCZORSFBZPKGU-KRWDZBQOSA-N 0 2 406.486 3.519 20 0 HHADLN Cc1cc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)ccc1NC(=O)CC(C)C ZINC000474590836 995549256 /nfs/dbraw/zinc/54/92/56/995549256.db2.gz ASOOSIGBTBTIRQ-UHFFFAOYSA-N 0 2 421.501 3.607 20 0 HHADLN O=C(CCOc1cccc(Cl)c1Cl)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474590766 995549421 /nfs/dbraw/zinc/54/94/21/995549421.db2.gz ZRGFVKVUOKAFRA-UHFFFAOYSA-N 0 2 421.284 3.776 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000474592016 995550767 /nfs/dbraw/zinc/55/07/67/995550767.db2.gz DMHKCLRVWYDGEI-IRXDYDNUSA-N 0 2 416.403 3.822 20 0 HHADLN Cc1nnc(NS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)s1 ZINC000474598598 995556494 /nfs/dbraw/zinc/55/64/94/995556494.db2.gz XNQPNCDJJSXMHX-UHFFFAOYSA-N 0 2 403.110 3.717 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000474645015 995590049 /nfs/dbraw/zinc/59/00/49/995590049.db2.gz OWDHTOIORPKJJL-JCNLHEQBSA-N 0 2 411.893 3.783 20 0 HHADLN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000474905791 995792039 /nfs/dbraw/zinc/79/20/39/995792039.db2.gz JDRMHJRFAAHSIY-CEXWTWQISA-N 0 2 424.589 3.564 20 0 HHADLN C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000475030349 995881590 /nfs/dbraw/zinc/88/15/90/995881590.db2.gz HMDFPZXGWRIODH-JGTBNHKDSA-N 0 2 400.529 3.589 20 0 HHADLN COc1ccc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)c(OCCOC(C)C)c1 ZINC000475487494 996172760 /nfs/dbraw/zinc/17/27/60/996172760.db2.gz OYFIVFGPNCIYJG-UHFFFAOYSA-N 0 2 419.528 3.753 20 0 HHADLN Cc1cccc2c(=O)c(C(=O)N3CCO[C@@H](c4ccc(F)cc4Cl)C3)c[nH]c12 ZINC000483521891 996230761 /nfs/dbraw/zinc/23/07/61/996230761.db2.gz ZNUGVXHWBAJPTI-GOSISDBHSA-N 0 2 400.837 3.843 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)cc1F ZINC000475736876 996335797 /nfs/dbraw/zinc/33/57/97/996335797.db2.gz BFOWCNZJELEMNI-UHFFFAOYSA-N 0 2 404.442 3.669 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)cc1F ZINC000475740967 996339618 /nfs/dbraw/zinc/33/96/18/996339618.db2.gz VKKUCIFFFJHCQT-UHFFFAOYSA-N 0 2 408.470 3.946 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)cc2)cc1F ZINC000475741672 996340364 /nfs/dbraw/zinc/34/03/64/996340364.db2.gz XVEQBAORENGOTA-UHFFFAOYSA-N 0 2 418.421 3.965 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2OC)c(Br)c1 ZINC000475812662 996386995 /nfs/dbraw/zinc/38/69/95/996386995.db2.gz SKFRYLLCPAVRIT-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN COc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc(-n2cccn2)c1 ZINC000475827249 996396662 /nfs/dbraw/zinc/39/66/62/996396662.db2.gz DXYUBCPPELBXFB-UHFFFAOYSA-N 0 2 415.368 3.840 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cc(-c3cccnc3)ccc2C)c(OC)c1 ZINC000475828704 996397851 /nfs/dbraw/zinc/39/78/51/996397851.db2.gz LJGMSVBDRNPCBR-UHFFFAOYSA-N 0 2 414.483 3.884 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1cccc(CCC(=O)OC(C)(C)C)c1 ZINC000475837707 996405953 /nfs/dbraw/zinc/40/59/53/996405953.db2.gz WKQCUZXXRLRPTC-UHFFFAOYSA-N 0 2 421.515 3.779 20 0 HHADLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 ZINC000475840754 996408141 /nfs/dbraw/zinc/40/81/41/996408141.db2.gz YSVVCDAPBACLFI-UHFFFAOYSA-N 0 2 402.423 3.970 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3C[C@@]3(C)C(C)C)cc2)nc(C)n1 ZINC000483896051 996454976 /nfs/dbraw/zinc/45/49/76/996454976.db2.gz JUTVKFXHIUWRDX-PXNSSMCTSA-N 0 2 402.520 3.515 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c(-c3ccccn3)nc2c1)c1ccc(F)c(F)c1F ZINC000484120634 996580912 /nfs/dbraw/zinc/58/09/12/996580912.db2.gz XLDMRIFCXVILAG-UHFFFAOYSA-N 0 2 404.373 3.843 20 0 HHADLN O=S(=O)(Nc1ccccc1Nc1ccc(F)cc1F)c1cnn([C@@H]2CCOC2)c1 ZINC000484146934 996598860 /nfs/dbraw/zinc/59/88/60/996598860.db2.gz UXBGWIREFJCFOQ-CQSZACIVSA-N 0 2 420.441 3.667 20 0 HHADLN Cc1cc(C)nc(-n2nccc2NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)n1 ZINC000476223800 996687972 /nfs/dbraw/zinc/68/79/72/996687972.db2.gz RNNGPUTYBLEHKH-UHFFFAOYSA-N 0 2 416.265 3.526 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc3oc(C(F)(F)F)nc32)c(C)c1 ZINC000476240305 996698889 /nfs/dbraw/zinc/69/88/89/996698889.db2.gz UGPOJGKVNPGJTM-UHFFFAOYSA-N 0 2 414.361 3.742 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(Br)c(C)cc2OC)c(OC)c1 ZINC000476248530 996704868 /nfs/dbraw/zinc/70/48/68/996704868.db2.gz PZVJNQHHBQPVLK-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN Cc1c(Br)cccc1S(=O)(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000476387515 996835050 /nfs/dbraw/zinc/83/50/50/996835050.db2.gz IUEYVJMAUJANOO-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN COc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1Cl ZINC000476425213 996892825 /nfs/dbraw/zinc/89/28/25/996892825.db2.gz ICMRTWISTUAGOR-UHFFFAOYSA-N 0 2 423.903 3.858 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nnc(-c3cccs3)o2)cnn1-c1ccc(Cl)cc1 ZINC000476426634 996894856 /nfs/dbraw/zinc/89/48/56/996894856.db2.gz WZCSXRNKARHYRC-UHFFFAOYSA-N 0 2 421.891 3.746 20 0 HHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000476427102 996895503 /nfs/dbraw/zinc/89/55/03/996895503.db2.gz CFSXUEYJTIABFZ-UHFFFAOYSA-N 0 2 401.444 3.564 20 0 HHADLN CC(C)(C)Cc1cc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)n[nH]1 ZINC000476440786 996912505 /nfs/dbraw/zinc/91/25/05/996912505.db2.gz YTFKHDMPFQCDOX-UHFFFAOYSA-N 0 2 419.532 3.508 20 0 HHADLN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)c(C)cc1Cl ZINC000476477453 996956578 /nfs/dbraw/zinc/95/65/78/996956578.db2.gz SHHPUJCYWWFUHG-UHFFFAOYSA-N 0 2 422.919 3.861 20 0 HHADLN Cc1ccc2cccnc2c1S(=O)(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000476529540 997018620 /nfs/dbraw/zinc/01/86/20/997018620.db2.gz CGTYRFNCESIVLO-UHFFFAOYSA-N 0 2 417.918 3.834 20 0 HHADLN CC(C)[C@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000476531698 997020977 /nfs/dbraw/zinc/02/09/77/997020977.db2.gz HKRZAWUHIYFBGM-JKSUJKDBSA-N 0 2 407.561 3.889 20 0 HHADLN CC(C)C[C@H](C(=O)N1CCc2c(F)cc(F)cc2C1)N1C(=O)c2ccccc2C1=O ZINC000484710123 997049090 /nfs/dbraw/zinc/04/90/90/997049090.db2.gz GAEOCEWTVAXYQT-HXUWFJFHSA-N 0 2 412.436 3.560 20 0 HHADLN Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccccc1NC(=O)N1CCCC1 ZINC000476570135 997067396 /nfs/dbraw/zinc/06/73/96/997067396.db2.gz RCPHQFADUBUTIY-UHFFFAOYSA-N 0 2 410.499 3.972 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCCc4cn[nH]c43)c2)cc1 ZINC000484777961 997125024 /nfs/dbraw/zinc/12/50/24/997125024.db2.gz CKWUBOPQZLJGHK-HXUWFJFHSA-N 0 2 424.526 3.635 20 0 HHADLN Cc1nn(-c2ccc(Br)cc2)cc1C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000484849470 997213747 /nfs/dbraw/zinc/21/37/47/997213747.db2.gz RJHRGFFENUZWFZ-UHFFFAOYSA-N 0 2 420.336 3.766 20 0 HHADLN CCN(C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000476687356 997226627 /nfs/dbraw/zinc/22/66/27/997226627.db2.gz GRAJPSAKUBHYCL-GOSISDBHSA-N 0 2 412.484 3.746 20 0 HHADLN CC[C@@H](CNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1 ZINC000476721228 997267136 /nfs/dbraw/zinc/26/71/36/997267136.db2.gz UXGJJMPLJAJEPA-HNNXBMFYSA-N 0 2 415.540 3.868 20 0 HHADLN CCN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc(C)c1 ZINC000476721860 997268291 /nfs/dbraw/zinc/26/82/91/997268291.db2.gz VQYQHIFSCKHGJL-UHFFFAOYSA-N 0 2 401.513 3.919 20 0 HHADLN Cc1cccc(CN(C)C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000476724609 997271402 /nfs/dbraw/zinc/27/14/02/997271402.db2.gz YAOXPFMORLDPSG-UHFFFAOYSA-N 0 2 401.513 3.525 20 0 HHADLN CCc1onc(-c2ccccc2)c1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000476725388 997272744 /nfs/dbraw/zinc/27/27/44/997272744.db2.gz YWQLNOMXOFSWDW-UHFFFAOYSA-N 0 2 403.442 3.531 20 0 HHADLN Cc1ccc(C[C@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)s1 ZINC000476731032 997282118 /nfs/dbraw/zinc/28/21/18/997282118.db2.gz LVWYEYFCDSWITA-LBPRGKRZSA-N 0 2 421.569 3.675 20 0 HHADLN CCN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1CCCC[C@@H]1C ZINC000476750208 997305749 /nfs/dbraw/zinc/30/57/49/997305749.db2.gz WEXHVCPTQPJZNB-WMLDXEAASA-N 0 2 407.561 3.985 20 0 HHADLN O=C(Nc1ccc2ccccc2n1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476752044 997307641 /nfs/dbraw/zinc/30/76/41/997307641.db2.gz BXMJKNVYTJOOJV-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000476763221 997320907 /nfs/dbraw/zinc/32/09/07/997320907.db2.gz OFEXFCVQWORRMT-KWOWKCNFSA-N 0 2 417.556 3.595 20 0 HHADLN O=C1CCCc2cc(NS(=O)(=O)c3cc(Br)ccc3F)ccc2N1 ZINC000484995123 997357430 /nfs/dbraw/zinc/35/74/30/997357430.db2.gz TVCWMJKYRQBGEB-UHFFFAOYSA-N 0 2 413.268 3.664 20 0 HHADLN C[C@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccccc1 ZINC000485004113 997367600 /nfs/dbraw/zinc/36/76/00/997367600.db2.gz UXPUBWUPPNFIFR-ZDUSSCGKSA-N 0 2 402.501 3.827 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1NC(C)=O ZINC000485004884 997369062 /nfs/dbraw/zinc/36/90/62/997369062.db2.gz KSFRYKVWDUMQIC-UHFFFAOYSA-N 0 2 406.357 3.612 20 0 HHADLN Cc1ccccc1CNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485013133 997378831 /nfs/dbraw/zinc/37/88/31/997378831.db2.gz OGNCSYPLRQBQPC-UHFFFAOYSA-N 0 2 402.501 3.574 20 0 HHADLN CC[C@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1nccs1 ZINC000485018502 997383822 /nfs/dbraw/zinc/38/38/22/997383822.db2.gz DMHIPONLUKXZRS-ZDUSSCGKSA-N 0 2 423.545 3.673 20 0 HHADLN Cc1cc(F)cc2c(O)c(C(=O)Nc3nc(-c4cc5ccccc5o4)n[nH]3)cnc12 ZINC000485088741 997461243 /nfs/dbraw/zinc/46/12/43/997461243.db2.gz AGRUGQDCJIJAME-UHFFFAOYSA-N 0 2 403.373 3.759 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2nc3ccsc3s2)c1 ZINC000476910225 997517529 /nfs/dbraw/zinc/51/75/29/997517529.db2.gz RKEMGOCZKJGCQT-UHFFFAOYSA-N 0 2 405.320 3.930 20 0 HHADLN O=C(NCCCc1ccccc1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485355634 997778861 /nfs/dbraw/zinc/77/88/61/997778861.db2.gz JEICTBZTLNIEGZ-UHFFFAOYSA-N 0 2 416.528 3.698 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485425724 997862352 /nfs/dbraw/zinc/86/23/52/997862352.db2.gz IPUYPAUHVYARJM-UHFFFAOYSA-N 0 2 404.300 3.524 20 0 HHADLN Cc1cccc(Oc2ccc(S(=O)(=O)Nc3cncnc3-n3cccn3)cc2)c1 ZINC000485451209 997893343 /nfs/dbraw/zinc/89/33/43/997893343.db2.gz PIGAELYVJCYVLN-UHFFFAOYSA-N 0 2 407.455 3.564 20 0 HHADLN O=C(Cc1ccccc1Cl)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485478498 997928684 /nfs/dbraw/zinc/92/86/84/997928684.db2.gz LHUSGVHXSOUNSE-UHFFFAOYSA-N 0 2 407.904 3.779 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@H]1Cc2ccccc2S1 ZINC000485486993 997938955 /nfs/dbraw/zinc/93/89/55/997938955.db2.gz HTRNMRPDXKIALW-MRXNPFEDSA-N 0 2 417.537 3.599 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1(c2ccc(F)cc2)CC1 ZINC000485495254 997949403 /nfs/dbraw/zinc/94/94/03/997949403.db2.gz BVJKXUFZGPTAOG-UHFFFAOYSA-N 0 2 417.487 3.753 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cc2c(cccc2F)[nH]1 ZINC000485500025 997955267 /nfs/dbraw/zinc/95/52/67/997955267.db2.gz XXXLZPDOHVOMGQ-UHFFFAOYSA-N 0 2 416.459 3.817 20 0 HHADLN CN(Cc1cc(Br)ccc1F)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000485673747 998131311 /nfs/dbraw/zinc/13/13/11/998131311.db2.gz STWIVOSLRNMMKU-UHFFFAOYSA-N 0 2 404.239 3.752 20 0 HHADLN O=C(CCn1cccn1)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000477544993 998263394 /nfs/dbraw/zinc/26/33/94/998263394.db2.gz YBNILDOAXNXROV-UHFFFAOYSA-N 0 2 422.869 3.505 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000486096295 998544499 /nfs/dbraw/zinc/54/44/99/998544499.db2.gz YHCIRDQBGINIPR-UHFFFAOYSA-N 0 2 401.488 3.814 20 0 HHADLN O=C(NCc1ccnc(Oc2ccc(F)cc2)c1)C1=NN(c2ccccc2)CC1=O ZINC000486140850 998589815 /nfs/dbraw/zinc/58/98/15/998589815.db2.gz XVOCHYWBIZBOOH-UHFFFAOYSA-N 0 2 404.401 3.834 20 0 HHADLN CCN1CCN(c2ccc(C(=O)Nc3ccc(C[NH+](C)C)c(Cl)c3)cc2F)CC1 ZINC000478036695 998727397 /nfs/dbraw/zinc/72/73/97/998727397.db2.gz UYAXFDXOBAOOBW-UHFFFAOYSA-N 0 2 418.944 3.935 20 0 HHADLN COCc1nocc1C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000486497024 998794419 /nfs/dbraw/zinc/79/44/19/998794419.db2.gz NINBHGOPYISOKL-UHFFFAOYSA-N 0 2 408.439 3.806 20 0 HHADLN CCOc1ccc(Br)cc1NS(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000486529939 998810104 /nfs/dbraw/zinc/81/01/04/998810104.db2.gz QREHCPNWKHWCHY-UHFFFAOYSA-N 0 2 416.293 3.666 20 0 HHADLN C[C@H]1Cc2cc(S(=O)(=O)Nc3cc(-c4ccsc4)nn3C)cc(Cl)c2O1 ZINC000486549006 998820125 /nfs/dbraw/zinc/82/01/25/998820125.db2.gz MOLWXVMUQSLSAI-JTQLQIEISA-N 0 2 409.920 3.926 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccc2ncccc2c1 ZINC000486550865 998821174 /nfs/dbraw/zinc/82/11/74/998821174.db2.gz WIMVUCUFSLEANG-UHFFFAOYSA-N 0 2 420.281 3.923 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(OC(C)C)c(C)c2)n(-c2cc(C)ccn2)n1 ZINC000486551962 998821734 /nfs/dbraw/zinc/82/17/34/998821734.db2.gz UXAVKKFYNKYAQB-UHFFFAOYSA-N 0 2 400.504 3.781 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cc(Cl)ccc2OC)nc1C(C)(C)C ZINC000486564108 998828273 /nfs/dbraw/zinc/82/82/73/998828273.db2.gz JNNQTKVRYGLZIO-UHFFFAOYSA-N 0 2 418.924 3.690 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000486570525 998833135 /nfs/dbraw/zinc/83/31/35/998833135.db2.gz IWMDUXRANHBZBK-GFCCVEGCSA-N 0 2 415.968 3.838 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccccc1OC1CC1 ZINC000486581894 998839607 /nfs/dbraw/zinc/83/96/07/998839607.db2.gz OFRWPEYBZISOHC-UHFFFAOYSA-N 0 2 415.496 3.737 20 0 HHADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000478293796 998869784 /nfs/dbraw/zinc/86/97/84/998869784.db2.gz MOIJBJOBYJAFDE-INIZCTEOSA-N 0 2 411.845 3.937 20 0 HHADLN Cc1c(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)nnn1-c1ccccc1Cl ZINC000478305042 998876128 /nfs/dbraw/zinc/87/61/28/998876128.db2.gz AJKZQRRFUFXJOM-UHFFFAOYSA-N 0 2 415.791 3.545 20 0 HHADLN Cc1oc(-c2cccs2)nc1CC(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000478308161 998877695 /nfs/dbraw/zinc/87/76/95/998877695.db2.gz AUBNVUZPKICCFG-UHFFFAOYSA-N 0 2 401.398 3.956 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000478313076 998880875 /nfs/dbraw/zinc/88/08/75/998880875.db2.gz MSRJRXUESZVBLQ-CQSZACIVSA-N 0 2 400.385 3.560 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000478313074 998881303 /nfs/dbraw/zinc/88/13/03/998881303.db2.gz MSRJRXUESZVBLQ-AWEZNQCLSA-N 0 2 400.385 3.560 20 0 HHADLN O=C(Cc1csc(Cc2ccccc2)n1)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000478315421 998882794 /nfs/dbraw/zinc/88/27/94/998882794.db2.gz OTZOZFMVYVLSQJ-UHFFFAOYSA-N 0 2 411.437 3.978 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccccc1OC[C@H]1CCCO1 ZINC000478318626 998884548 /nfs/dbraw/zinc/88/45/48/998884548.db2.gz FZHOEOIDOALBIA-GFCCVEGCSA-N 0 2 400.385 3.560 20 0 HHADLN CCc1c(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cnn1-c1ccc(F)cc1 ZINC000478328002 998890699 /nfs/dbraw/zinc/89/06/99/998890699.db2.gz PJZDGHNZVOLMLC-UHFFFAOYSA-N 0 2 412.375 3.889 20 0 HHADLN Cc1c(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)nnn1-c1cccc(Cl)c1 ZINC000478329465 998892283 /nfs/dbraw/zinc/89/22/83/998892283.db2.gz SUCUKUKJRWYGJQ-UHFFFAOYSA-N 0 2 415.791 3.545 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cnccc1Oc1ccccc1 ZINC000486743528 998918873 /nfs/dbraw/zinc/91/88/73/998918873.db2.gz BHJRPKWVXLSEHX-UHFFFAOYSA-N 0 2 402.428 3.617 20 0 HHADLN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)C2=NN(c3ccccc3)CC2=O)n1 ZINC000486776218 998935380 /nfs/dbraw/zinc/93/53/80/998935380.db2.gz PICUUPSLKJAWFU-UHFFFAOYSA-N 0 2 413.481 3.827 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2cc(-c3ccccc3C)nn2C)c1 ZINC000486790878 998941330 /nfs/dbraw/zinc/94/13/30/998941330.db2.gz ZVRHNUUERSKWFP-UHFFFAOYSA-N 0 2 417.462 3.512 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000486918152 999006180 /nfs/dbraw/zinc/00/61/80/999006180.db2.gz AQYMLVYMJXOGEU-UHFFFAOYSA-N 0 2 422.436 3.711 20 0 HHADLN C[C@@H](NC(=O)C1=NN(c2ccccc2)CC1=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000486990480 999028904 /nfs/dbraw/zinc/02/89/04/999028904.db2.gz XFISMLJTNNGWIH-HXOBKFHXSA-N 0 2 421.497 3.633 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N(CC1CC1)CC1CCC1 ZINC000478589747 999037089 /nfs/dbraw/zinc/03/70/89/999037089.db2.gz FAPJWYADISRIAQ-UHFFFAOYSA-N 0 2 405.545 3.596 20 0 HHADLN O=C(Nc1nc(CN2CCCCCC2)cs1)c1nc[nH]c1C(=O)c1ccccc1 ZINC000478661762 999076165 /nfs/dbraw/zinc/07/61/65/999076165.db2.gz LZLLRIUHAHZSFW-UHFFFAOYSA-N 0 2 409.515 3.726 20 0 HHADLN O=C(Nc1nc(CN2CCCCCC2)cs1)c1[nH]cnc1C(=O)c1ccccc1 ZINC000478661762 999076170 /nfs/dbraw/zinc/07/61/70/999076170.db2.gz LZLLRIUHAHZSFW-UHFFFAOYSA-N 0 2 409.515 3.726 20 0 HHADLN CC[C@H](C)c1ncc(NS(=O)(=O)c2ccc(OC)cc2Br)cn1 ZINC000478690768 999090697 /nfs/dbraw/zinc/09/06/97/999090697.db2.gz AZCMDQAUFHOZTI-JTQLQIEISA-N 0 2 400.298 3.562 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2cnc(C(C)C)nc2)cc1Cl ZINC000478695462 999093014 /nfs/dbraw/zinc/09/30/14/999093014.db2.gz DKXFFZQEFHNFEV-UHFFFAOYSA-N 0 2 420.716 3.825 20 0 HHADLN Cc1ccc(-c2ccc(Cl)cc2NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)o1 ZINC000478701202 999095958 /nfs/dbraw/zinc/09/59/58/999095958.db2.gz GUCODCBQHSRKJM-UHFFFAOYSA-N 0 2 421.906 3.750 20 0 HHADLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1oc2ccccc2c1CSc1cccs1 ZINC000478802941 999148247 /nfs/dbraw/zinc/14/82/47/999148247.db2.gz ZTEQFKCKNOSTGJ-UHFFFAOYSA-N 0 2 414.512 3.973 20 0 HHADLN COc1cccc([C@@H]2CN(C(=O)C3=NN(c4cccc(C(C)C)c4)CC3=O)CCO2)c1 ZINC000479041862 999262565 /nfs/dbraw/zinc/26/25/65/999262565.db2.gz QXYFXDIFLYNBMW-QFIPXVFZSA-N 0 2 421.497 3.924 20 0 HHADLN CC(C)(C)[C@@H]1CCc2nc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)sc2C1 ZINC000479158910 999301999 /nfs/dbraw/zinc/30/19/99/999301999.db2.gz NFBLTQYOLHMZRO-SNVBAGLBSA-N 0 2 422.498 3.854 20 0 HHADLN COCCOc1ccc(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000479269849 999357246 /nfs/dbraw/zinc/35/72/46/999357246.db2.gz VAFYTKBGJWWAMS-UHFFFAOYSA-N 0 2 413.499 3.576 20 0 HHADLN COCCn1cc(S(=O)(=O)Nc2ccc(Cl)cc2-c2cccc(C)c2)cn1 ZINC000479293636 999369649 /nfs/dbraw/zinc/36/96/49/999369649.db2.gz HNIFPVANGQFDPW-UHFFFAOYSA-N 0 2 405.907 3.959 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2c(OC)cc(OC)cc2OC)cc1Cl ZINC000488263828 999415633 /nfs/dbraw/zinc/41/56/33/999415633.db2.gz OHYTYLBGPWDGEO-UHFFFAOYSA-N 0 2 401.868 3.565 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)NCc2ccnc(Oc3ccccc3F)c2)s[nH]1 ZINC000488295608 999427372 /nfs/dbraw/zinc/42/73/72/999427372.db2.gz MCEROLDMTTZQLL-UHFFFAOYSA-N 0 2 401.467 3.906 20 0 HHADLN CCCn1ccc2cc(NS(=O)(=O)c3c(OC)cc(OC)cc3OC)ccc21 ZINC000488298098 999428460 /nfs/dbraw/zinc/42/84/60/999428460.db2.gz MHYOOMXDBXKWAR-UHFFFAOYSA-N 0 2 404.488 3.878 20 0 HHADLN COCCc1ccc(Oc2ccc(NS(=O)(=O)c3c(C)nn(C)c3C)cc2)cc1 ZINC000479491736 999442411 /nfs/dbraw/zinc/44/24/11/999442411.db2.gz XBQVIOVTAIFRMY-UHFFFAOYSA-N 0 2 415.515 3.819 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(C)c(OCC2CCOCC2)c1 ZINC000479493630 999443474 /nfs/dbraw/zinc/44/34/74/999443474.db2.gz ZKYUGSGLWOQDOI-UHFFFAOYSA-N 0 2 421.515 3.618 20 0 HHADLN O=S(=O)(Nc1cccc(COCc2ccco2)c1)c1cnn(CC(F)(F)F)c1 ZINC000479496670 999444353 /nfs/dbraw/zinc/44/43/53/999444353.db2.gz BTIFKDZHCQKPFW-UHFFFAOYSA-N 0 2 415.393 3.556 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1cccc(COCc2ccco2)c1 ZINC000479498993 999445668 /nfs/dbraw/zinc/44/56/68/999445668.db2.gz HCAXPKMRMQTVQC-UHFFFAOYSA-N 0 2 403.456 3.814 20 0 HHADLN CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1C ZINC000479512860 999453004 /nfs/dbraw/zinc/45/30/04/999453004.db2.gz RVODBBHFTONXBU-UHFFFAOYSA-N 0 2 401.257 3.656 20 0 HHADLN Cc1csc(Nc2cccc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)c2)n1 ZINC000479522032 999458558 /nfs/dbraw/zinc/45/85/58/999458558.db2.gz LPBRSELBAANLRE-UHFFFAOYSA-N 0 2 417.438 3.755 20 0 HHADLN CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)cn2)cc1 ZINC000488399307 999474850 /nfs/dbraw/zinc/47/48/50/999474850.db2.gz SCKFLDCXEVZZQR-UHFFFAOYSA-N 0 2 417.874 3.688 20 0 HHADLN CC(C)(C)c1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)c1O ZINC000479573598 999485201 /nfs/dbraw/zinc/48/52/01/999485201.db2.gz KZGKQVDWERTKMT-UHFFFAOYSA-N 0 2 420.506 3.866 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccc(F)cc1F ZINC000488434960 999486098 /nfs/dbraw/zinc/48/60/98/999486098.db2.gz UOKOLCCYIMLDJN-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN O=c1[nH]nc(SCc2nc3cc(C(F)(F)F)ccc3o2)n1C[C@@H]1CCCO1 ZINC000488500557 999509133 /nfs/dbraw/zinc/50/91/33/999509133.db2.gz PFCOXZSQOMFCCG-JTQLQIEISA-N 0 2 400.382 3.615 20 0 HHADLN CC(C)c1nnc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)s1 ZINC000488577046 999533291 /nfs/dbraw/zinc/53/32/91/999533291.db2.gz KSCDOKUPEWHOAY-LLVKDONJSA-N 0 2 417.940 3.531 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC(CO)(c4ccccc4)CC3)=N2)cc1 ZINC000479714126 999551310 /nfs/dbraw/zinc/55/13/10/999551310.db2.gz UKCGHSXIHCFUTK-UHFFFAOYSA-N 0 2 419.525 3.868 20 0 HHADLN CCc1cnc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)s1 ZINC000488650933 999558710 /nfs/dbraw/zinc/55/87/10/999558710.db2.gz WPPJPZVUOUTIOO-NSHDSACASA-N 0 2 402.925 3.575 20 0 HHADLN Cc1ccc(C)n1-c1nc(CC(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cs1 ZINC000479763751 999579142 /nfs/dbraw/zinc/57/91/42/999579142.db2.gz QJHBQJCKYUNQFI-UHFFFAOYSA-N 0 2 414.441 3.795 20 0 HHADLN COCCN(Cc1scnc1C)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000488773438 999603028 /nfs/dbraw/zinc/60/30/28/999603028.db2.gz GFTQHECNBUOAAW-UHFFFAOYSA-N 0 2 423.951 3.726 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCOc2ccc(F)cc2C1 ZINC000488777718 999604623 /nfs/dbraw/zinc/60/46/23/999604623.db2.gz QQYOJTJROWBMTE-UHFFFAOYSA-N 0 2 404.854 3.846 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)c1c[nH]c2ncccc12 ZINC000489002007 999668788 /nfs/dbraw/zinc/66/87/88/999668788.db2.gz JNTHAYRYFIOLFP-CQSZACIVSA-N 0 2 421.906 3.965 20 0 HHADLN COc1ccccc1O[C@@H]1CCCN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)C1 ZINC000480076372 999710593 /nfs/dbraw/zinc/71/05/93/999710593.db2.gz HDPFSAKXSNNLKH-CQSZACIVSA-N 0 2 416.528 3.772 20 0 HHADLN CCOC(=O)c1c(CC)c(C)sc1NS(=O)(=O)c1ccc(NC(=O)CC)cc1 ZINC000480162186 999734363 /nfs/dbraw/zinc/73/43/63/999734363.db2.gz PROAVRHWSDBUEE-UHFFFAOYSA-N 0 2 424.544 3.945 20 0 HHADLN Cc1ccc(OCc2nc(NS(=O)(=O)c3ccccc3Br)no2)cc1 ZINC000480205806 999744955 /nfs/dbraw/zinc/74/49/55/999744955.db2.gz KNMBBUPGYJOVEH-UHFFFAOYSA-N 0 2 424.276 3.520 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(C)C)c(Cl)c2)c(F)c1 ZINC000480207067 999745460 /nfs/dbraw/zinc/74/54/60/999745460.db2.gz BRZMDGRGCAKRDV-UHFFFAOYSA-N 0 2 414.886 3.674 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cnn(-c3ccccc3Cl)c2C(C)C)c[nH]1 ZINC000480230501 999751582 /nfs/dbraw/zinc/75/15/82/999751582.db2.gz RAFMLMXANCKJCT-UHFFFAOYSA-N 0 2 422.894 3.565 20 0 HHADLN C[C@@H](Oc1ccccc1Br)C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000489379527 999754875 /nfs/dbraw/zinc/75/48/75/999754875.db2.gz MMELBYIGIYKKFO-SNVBAGLBSA-N 0 2 405.227 3.779 20 0 HHADLN CC(C)c1c(NS(=O)(=O)c2ccc(C(N)=O)cc2)cnn1-c1ccc(Cl)cc1 ZINC000480248845 999755926 /nfs/dbraw/zinc/75/59/26/999755926.db2.gz OPDFIXUDVXGHIC-UHFFFAOYSA-N 0 2 418.906 3.549 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cnn1C(CC)CC ZINC000480255935 999757643 /nfs/dbraw/zinc/75/76/43/999757643.db2.gz ZLSZJELYARUTSE-CQSZACIVSA-N 0 2 418.563 3.905 20 0 HHADLN Cc1nc(-c2cccc(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)c2)cs1 ZINC000480704507 999863911 /nfs/dbraw/zinc/86/39/11/999863911.db2.gz LPZWQUOYVTUZBO-UHFFFAOYSA-N 0 2 411.512 3.808 20 0 HHADLN Cc1cccc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nncs4)cc3)oc21 ZINC000490038177 999882803 /nfs/dbraw/zinc/88/28/03/999882803.db2.gz KCCXUQRKZNNAPP-UHFFFAOYSA-N 0 2 414.468 3.646 20 0 HHADLN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)ccc1Cl ZINC000490089414 999891480 /nfs/dbraw/zinc/89/14/80/999891480.db2.gz QUCXYQMNSJIKFN-UHFFFAOYSA-N 0 2 408.892 3.553 20 0 HHADLN C[C@@H]([C@H](C)NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)C1CCCCC1 ZINC000490888059 1000019894 /nfs/dbraw/zinc/01/98/94/1000019894.db2.gz YAGFIAVXMZENJT-KBPBESRZSA-N 0 2 424.592 3.617 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)cnn1CCC(C)C ZINC000491549937 1000083073 /nfs/dbraw/zinc/08/30/73/1000083073.db2.gz WQWKTHXCMBGKRU-UHFFFAOYSA-N 0 2 413.927 3.732 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)ccc1O ZINC000491606987 1000089540 /nfs/dbraw/zinc/08/95/40/1000089540.db2.gz KITSEDDDBQQFEQ-UHFFFAOYSA-N 0 2 422.466 3.695 20 0 HHADLN CC(=O)N(C)c1ccccc1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000491721703 1000093440 /nfs/dbraw/zinc/09/34/40/1000093440.db2.gz UCQASBASJKPGEE-UHFFFAOYSA-N 0 2 417.712 3.886 20 0 HHADLN O=S(=O)(Nc1cc(C2CC2)nn1-c1ncccn1)c1cccc(Cl)c1Cl ZINC000492021096 1000105258 /nfs/dbraw/zinc/10/52/58/1000105258.db2.gz LCVUHYNTAMZIIH-UHFFFAOYSA-N 0 2 410.286 3.647 20 0 HHADLN Cc1cc(C)c(C)c(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)c1C ZINC000492077182 1000108618 /nfs/dbraw/zinc/10/86/18/1000108618.db2.gz BWUZXBGILVMOJS-UHFFFAOYSA-N 0 2 413.547 3.994 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(-c3cc(C)c(C)cc3C)n[nH]2)cc1OC ZINC000504970559 1000479121 /nfs/dbraw/zinc/47/91/21/1000479121.db2.gz XHDJQUHMCHMDBG-UHFFFAOYSA-N 0 2 401.488 3.820 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2cccc3oc(C(F)(F)F)nc32)c1 ZINC000494437575 1000491519 /nfs/dbraw/zinc/49/15/19/1000491519.db2.gz ONSLIUWHSNTJFY-UHFFFAOYSA-N 0 2 402.350 3.665 20 0 HHADLN COc1c(C)cc(S(=O)(=O)Nc2[nH]nc(C)c2-c2ccc3c(c2)OCO3)cc1C ZINC000494470277 1000509565 /nfs/dbraw/zinc/50/95/65/1000509565.db2.gz HZYXFPHEANKODQ-UHFFFAOYSA-N 0 2 415.471 3.540 20 0 HHADLN CN(C)c1cccc(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)c1 ZINC000494471919 1000510490 /nfs/dbraw/zinc/51/04/90/1000510490.db2.gz GEMMOUCMWFWXLA-UHFFFAOYSA-N 0 2 400.485 3.818 20 0 HHADLN C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1ccc(-n2cccn2)c(F)c1 ZINC000505215060 1000623773 /nfs/dbraw/zinc/62/37/73/1000623773.db2.gz GHJKEVZPOWZMPY-CYBMUJFWSA-N 0 2 409.396 3.533 20 0 HHADLN Cc1nn(C)c(C)c1CC(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000505258729 1000651692 /nfs/dbraw/zinc/65/16/92/1000651692.db2.gz YCPFWEIJJYBBNR-UHFFFAOYSA-N 0 2 419.510 3.951 20 0 HHADLN O=S(=O)(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1ccc(F)c(F)c1 ZINC000505294220 1000678596 /nfs/dbraw/zinc/67/85/96/1000678596.db2.gz RTGCZBSCAVDGAT-UHFFFAOYSA-N 0 2 403.332 3.970 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N(C)Cc2cccnc2)cc1 ZINC000496725559 1001220661 /nfs/dbraw/zinc/22/06/61/1001220661.db2.gz YPGHIUMJVRYSRZ-UHFFFAOYSA-N 0 2 401.513 3.525 20 0 HHADLN Cn1ccnc1C[NH+]1CCC(C(=O)Nc2c([O-])c(Cl)cc(Cl)c2Cl)CC1 ZINC000497140661 1001274270 /nfs/dbraw/zinc/27/42/70/1001274270.db2.gz JEFNHQKHBUEOOB-UHFFFAOYSA-N 0 2 417.724 3.937 20 0 HHADLN CN1CC[NH+](Cc2ccc(C(=O)Nc3nc4cc(C(F)(F)F)ccc4[nH]3)cc2)CC1 ZINC000497466145 1001380944 /nfs/dbraw/zinc/38/09/44/1001380944.db2.gz QVBFLOZPDOISPK-UHFFFAOYSA-N 0 2 417.435 3.581 20 0 HHADLN COc1cc(NS(=O)(=O)c2ccsc2)c(OC)cc1NC(=O)c1ccccc1 ZINC000506556212 1001458695 /nfs/dbraw/zinc/45/86/95/1001458695.db2.gz RXZVBZRYSRMSOM-UHFFFAOYSA-N 0 2 418.496 3.818 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cccc(NC(C)=O)c1 ZINC000506582871 1001464139 /nfs/dbraw/zinc/46/41/39/1001464139.db2.gz DJIWCHJUFQOYTR-UHFFFAOYSA-N 0 2 417.270 3.539 20 0 HHADLN Cn1cnnc1Sc1ccccc1NS(=O)(=O)c1csc2ccccc21 ZINC000506584972 1001464459 /nfs/dbraw/zinc/46/44/59/1001464459.db2.gz OOKFVDDUQNTPNF-UHFFFAOYSA-N 0 2 402.526 3.982 20 0 HHADLN Cc1cnn(C)c1S(=O)(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 ZINC000506603431 1001468779 /nfs/dbraw/zinc/46/87/79/1001468779.db2.gz WUTDPZPYJRIOET-UHFFFAOYSA-N 0 2 401.879 3.726 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccoc2)cccc1C(=O)N1CCc2sccc2C1 ZINC000506734227 1001508819 /nfs/dbraw/zinc/50/88/19/1001508819.db2.gz HIBZKOOPQUFZRN-UHFFFAOYSA-N 0 2 402.497 3.649 20 0 HHADLN O=C(Nc1ccccc1)[C@H](NS(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000497787857 1001513838 /nfs/dbraw/zinc/51/38/38/1001513838.db2.gz FTRVNAIXRKCNRY-GOSISDBHSA-N 0 2 420.412 3.762 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc3ccc(CC)cc3s2)c1 ZINC000506815446 1001545950 /nfs/dbraw/zinc/54/59/50/1001545950.db2.gz MMQOOAOIUMSNFU-UHFFFAOYSA-N 0 2 420.512 3.845 20 0 HHADLN Cc1cnn(C)c1S(=O)(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000506816908 1001546947 /nfs/dbraw/zinc/54/69/47/1001546947.db2.gz DLXFQLOHSPLFJV-UHFFFAOYSA-N 0 2 416.450 3.595 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2nc3c(cccc3COC)s2)ccc1C ZINC000506829784 1001553793 /nfs/dbraw/zinc/55/37/93/1001553793.db2.gz GQOINCJTROVVRP-UHFFFAOYSA-N 0 2 420.512 3.729 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2nc3c(ccc(F)c3F)s2)c1 ZINC000506836539 1001557684 /nfs/dbraw/zinc/55/76/84/1001557684.db2.gz VFTATHZQDGEQKE-UHFFFAOYSA-N 0 2 400.428 3.530 20 0 HHADLN COc1ccc([C@H](CO)N(C)C(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)cc1 ZINC000497966516 1001582282 /nfs/dbraw/zinc/58/22/82/1001582282.db2.gz AGELLHMSKPZECE-FQEVSTJZSA-N 0 2 409.486 3.516 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2cc(F)ccc2-n2cccn2)c1 ZINC000498015148 1001605379 /nfs/dbraw/zinc/60/53/79/1001605379.db2.gz IIPRMRGDSOCYAG-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C)Cc3ccc(OC(F)F)cc3)s[nH]2)c1 ZINC000498223974 1001707592 /nfs/dbraw/zinc/70/75/92/1001707592.db2.gz UUGSWCWPYNRPTQ-UHFFFAOYSA-N 0 2 420.441 3.901 20 0 HHADLN O=C(Cc1cccs1)Nc1ccccc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000507026038 1001769896 /nfs/dbraw/zinc/76/98/96/1001769896.db2.gz LPEGFWXNSPEEIJ-UHFFFAOYSA-N 0 2 407.904 3.779 20 0 HHADLN CCOC(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc(Cl)c3F)ccc21 ZINC000498421939 1001852295 /nfs/dbraw/zinc/85/22/95/1001852295.db2.gz HYAHTFWCRDZYIH-UHFFFAOYSA-N 0 2 410.854 3.798 20 0 HHADLN COCCOc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C(C)C)cc1 ZINC000507318244 1001998057 /nfs/dbraw/zinc/99/80/57/1001998057.db2.gz YMYXKMCCOHCUPI-UHFFFAOYSA-N 0 2 415.515 3.957 20 0 HHADLN Cc1nc(NS(=O)(=O)c2c(C)nn(C)c2C)sc1Cc1ccccc1Cl ZINC000507327729 1002003644 /nfs/dbraw/zinc/00/36/44/1002003644.db2.gz DEKHWGLTOZCZQP-UHFFFAOYSA-N 0 2 410.952 3.847 20 0 HHADLN C[C@H]1CN(Cc2cccc(NC(=O)c3nc[nH]c3C(=O)c3ccccc3)c2)C[C@H](C)O1 ZINC000498634203 1002036303 /nfs/dbraw/zinc/03/63/03/1002036303.db2.gz APZWHVWRJCNOAU-IRXDYDNUSA-N 0 2 418.497 3.502 20 0 HHADLN C[C@H]1CN(Cc2cccc(NC(=O)c3[nH]cnc3C(=O)c3ccccc3)c2)C[C@H](C)O1 ZINC000498634203 1002036313 /nfs/dbraw/zinc/03/63/13/1002036313.db2.gz APZWHVWRJCNOAU-IRXDYDNUSA-N 0 2 418.497 3.502 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1OC1CCOCC1)c1cnc2ccccc2c1 ZINC000507595592 1002202642 /nfs/dbraw/zinc/20/26/42/1002202642.db2.gz KIKWQOJGHRWZPM-UHFFFAOYSA-N 0 2 402.447 3.733 20 0 HHADLN Cc1cccc([C@@H](NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)c2ccccn2)c1 ZINC000499099784 1002490714 /nfs/dbraw/zinc/49/07/14/1002490714.db2.gz IBGOTLIZSGIGCA-OAQYLSRUSA-N 0 2 402.429 3.940 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2OC)c1 ZINC000507970540 1002502237 /nfs/dbraw/zinc/50/22/37/1002502237.db2.gz OXZHALBBPVWQBJ-UHFFFAOYSA-N 0 2 406.287 3.958 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(C)nc2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000507983808 1002512964 /nfs/dbraw/zinc/51/29/64/1002512964.db2.gz KAIZTEODOLBKAS-UHFFFAOYSA-N 0 2 410.421 3.958 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)F)c2)o1)c1c(F)cccc1Cl ZINC000508067082 1002588573 /nfs/dbraw/zinc/58/85/73/1002588573.db2.gz HPMWTWIXVFUMNC-UHFFFAOYSA-N 0 2 419.768 3.931 20 0 HHADLN Cc1ccc(Br)cc1S(=O)(=O)Nc1nc2c(s1)CSCC2 ZINC000508074430 1002596308 /nfs/dbraw/zinc/59/63/08/1002596308.db2.gz PUOVULYTZLHKLL-UHFFFAOYSA-N 0 2 405.364 3.804 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)N[C@@H](c2c[nH]c3ccccc32)C(F)(F)F)s1 ZINC000508124960 1002655375 /nfs/dbraw/zinc/65/53/75/1002655375.db2.gz LHCOXESKNRQXIO-AWEZNQCLSA-N 0 2 418.418 3.598 20 0 HHADLN CC(C)Cn1ncc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)c1C(C)C ZINC000499273746 1002680729 /nfs/dbraw/zinc/68/07/29/1002680729.db2.gz OPXYHHFFYIRFRX-UHFFFAOYSA-N 0 2 401.536 3.708 20 0 HHADLN COC(=O)c1nccc2c1cccc2S(=O)(=O)Nc1cccc2ccc(C)nc21 ZINC000499279445 1002689559 /nfs/dbraw/zinc/68/95/59/1002689559.db2.gz AJFLLJNPBRMQLO-UHFFFAOYSA-N 0 2 407.451 3.679 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cc(-c4ccncc4)ccc3C)cnc2c1Cl ZINC000499285362 1002696184 /nfs/dbraw/zinc/69/61/84/1002696184.db2.gz VUDZOMDDIJJHNA-UHFFFAOYSA-N 0 2 413.890 3.862 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)ncn2)ccc1C ZINC000508177086 1002712612 /nfs/dbraw/zinc/71/26/12/1002712612.db2.gz BXLKORMWPWAFPM-UHFFFAOYSA-N 0 2 416.890 3.865 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)c1 ZINC000508179265 1002714736 /nfs/dbraw/zinc/71/47/36/1002714736.db2.gz IODPOXCAGYUNLR-UHFFFAOYSA-N 0 2 408.476 3.905 20 0 HHADLN Cc1ccc(OCc2nc(NS(=O)(=O)c3csc4ccccc43)no2)cc1 ZINC000508200617 1002734586 /nfs/dbraw/zinc/73/45/86/1002734586.db2.gz YYQNDMZZAQLBTB-UHFFFAOYSA-N 0 2 401.469 3.973 20 0 HHADLN C[C@H]1Cc2cc(S(=O)(=O)Nc3nnc(-c4ccc(F)cc4)o3)cc(Cl)c2O1 ZINC000508201767 1002736055 /nfs/dbraw/zinc/73/60/55/1002736055.db2.gz BEVKMQWPLJTJPS-VIFPVBQESA-N 0 2 409.826 3.653 20 0 HHADLN CCc1c(C)nn(-c2cccc(C(=O)N=c3nc(-c4cccnc4)[nH]s3)c2)c1C ZINC000499360234 1002757850 /nfs/dbraw/zinc/75/78/50/1002757850.db2.gz JIBJAXZGPDWCHW-UHFFFAOYSA-N 0 2 404.499 3.639 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(Br)c(C)c1 ZINC000508323503 1002828773 /nfs/dbraw/zinc/82/87/73/1002828773.db2.gz WEANWNWEIJXDDM-UHFFFAOYSA-N 0 2 402.266 3.555 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(Br)cc1C ZINC000508324325 1002829585 /nfs/dbraw/zinc/82/95/85/1002829585.db2.gz JILJTXYTTZHQDZ-UHFFFAOYSA-N 0 2 402.266 3.555 20 0 HHADLN Cc1nn(C)cc1C(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000499448714 1002836844 /nfs/dbraw/zinc/83/68/44/1002836844.db2.gz FWVJFLUWRCHDBG-UHFFFAOYSA-N 0 2 422.869 3.574 20 0 HHADLN CN(Cc1cc(Br)ccc1F)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499544544 1002927593 /nfs/dbraw/zinc/92/75/93/1002927593.db2.gz IZAYPFZYXHLKDW-UHFFFAOYSA-N 0 2 422.229 3.891 20 0 HHADLN COc1ccc(NC(=O)N=c2nc(C(C)(C)C)[nH]s2)cc1Oc1ccc(C)nn1 ZINC000499591196 1002965785 /nfs/dbraw/zinc/96/57/85/1002965785.db2.gz ASEVVPXVXOLXPH-UHFFFAOYSA-N 0 2 414.491 3.801 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCC(OCCc2ccccc2)CC1 ZINC000499625199 1002993878 /nfs/dbraw/zinc/99/38/78/1002993878.db2.gz ITPQNABQJDJUPD-UHFFFAOYSA-N 0 2 409.461 3.581 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(C)CCCOc3cccc(Cl)c3)=N2)cc1 ZINC000499803872 1003138935 /nfs/dbraw/zinc/13/89/35/1003138935.db2.gz SEIPCGWQWQCLBX-UHFFFAOYSA-N 0 2 415.877 3.781 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC(c4cccc(OC)c4)CC3)=N2)cc1 ZINC000499962114 1003280900 /nfs/dbraw/zinc/28/09/00/1003280900.db2.gz YNQWYVPDGNMZRS-UHFFFAOYSA-N 0 2 407.470 3.615 20 0 HHADLN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)C2=NN(c3ccc(F)cc3)CC2=O)cc1 ZINC000500114315 1003475925 /nfs/dbraw/zinc/47/59/25/1003475925.db2.gz QLGJWAYHVXBGAJ-NRFANRHFSA-N 0 2 423.488 3.889 20 0 HHADLN O=C(Nc1cccc(-n2cccc2)c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000509063906 1003526601 /nfs/dbraw/zinc/52/66/01/1003526601.db2.gz HJLAGZLQPQRMAV-UHFFFAOYSA-N 0 2 424.507 3.987 20 0 HHADLN O=C(C[C@@H]1C=CCC1)Nc1ccccc1NS(=O)(=O)c1cccc2c1OCO2 ZINC000509073446 1003533703 /nfs/dbraw/zinc/53/37/03/1003533703.db2.gz BIANHBRXSKKSTE-CQSZACIVSA-N 0 2 400.456 3.511 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccccc1NC(=O)N1CCCC1 ZINC000509094168 1003548146 /nfs/dbraw/zinc/54/81/46/1003548146.db2.gz BAFJLJCGFDDGKK-UHFFFAOYSA-N 0 2 403.504 3.741 20 0 HHADLN CCc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c2c(n1)onc2C(C)C ZINC000509117824 1003564738 /nfs/dbraw/zinc/56/47/38/1003564738.db2.gz OVBXBNFGXHNCOL-UHFFFAOYSA-N 0 2 411.487 3.891 20 0 HHADLN Cn1ncc(NC(=O)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1-c1ccccc1 ZINC000500255938 1003584809 /nfs/dbraw/zinc/58/48/09/1003584809.db2.gz VMOWQIHKPCWXHX-UHFFFAOYSA-N 0 2 405.241 3.677 20 0 HHADLN O=S(=O)(Nc1ncc(Cc2cccc(Cl)c2)s1)c1cccc2c1OCO2 ZINC000509203284 1003622245 /nfs/dbraw/zinc/62/22/45/1003622245.db2.gz OTKSWTSCDRZJCA-UHFFFAOYSA-N 0 2 408.888 3.917 20 0 HHADLN C[C@@H]1CCCN(Cc2csc(NS(=O)(=O)c3cnc4ccccc4c3)n2)C1 ZINC000509219374 1003632547 /nfs/dbraw/zinc/63/25/47/1003632547.db2.gz SJDVWQAOWOWTMK-CQSZACIVSA-N 0 2 402.545 3.724 20 0 HHADLN O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc2c1OCO2 ZINC000509219482 1003632585 /nfs/dbraw/zinc/63/25/85/1003632585.db2.gz LVUSYOSZXBQZMP-UHFFFAOYSA-N 0 2 414.405 3.835 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000509220523 1003633388 /nfs/dbraw/zinc/63/33/88/1003633388.db2.gz XRDUCCWAMXCRMG-QGZVFWFLSA-N 0 2 412.515 3.623 20 0 HHADLN CC(C)CCc1nnc(NS(=O)(=O)c2c(Cl)cccc2Br)o1 ZINC000509235063 1003643753 /nfs/dbraw/zinc/64/37/53/1003643753.db2.gz FBCJZGVXLJCKFF-UHFFFAOYSA-N 0 2 408.705 3.875 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)c(C)o1 ZINC000509237931 1003645201 /nfs/dbraw/zinc/64/52/01/1003645201.db2.gz VCVIDXOQGJXCCK-UHFFFAOYSA-N 0 2 412.876 3.952 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](c3cccc(C)c3)c3ccccn3)=N2)cc1 ZINC000500398778 1003692987 /nfs/dbraw/zinc/69/29/87/1003692987.db2.gz OIRLOIRMNLSGAY-JOCHJYFZSA-N 0 2 414.465 3.809 20 0 HHADLN COc1cncc(S(=O)(=O)Nc2nc(C3CC3)c(Cc3ccc(F)cc3)s2)c1 ZINC000500474936 1003737416 /nfs/dbraw/zinc/73/74/16/1003737416.db2.gz JUEADFWTKKTOHY-UHFFFAOYSA-N 0 2 419.503 3.955 20 0 HHADLN CN(C)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)nc1 ZINC000500484680 1003741781 /nfs/dbraw/zinc/74/17/81/1003741781.db2.gz OSVUMIACENZNPB-UHFFFAOYSA-N 0 2 424.242 3.730 20 0 HHADLN CO[C@H]1CCC[C@H](Oc2ccnc(NS(=O)(=O)c3ccc(C)cc3Cl)n2)C1 ZINC000500566123 1003787077 /nfs/dbraw/zinc/78/70/77/1003787077.db2.gz BVDPOVHYTUISKL-KBPBESRZSA-N 0 2 411.911 3.576 20 0 HHADLN CO[C@H]1CCC[C@@H](Oc2ccnc(NS(=O)(=O)c3cccc(C)c3Cl)n2)C1 ZINC000500572688 1003791771 /nfs/dbraw/zinc/79/17/71/1003791771.db2.gz QWZWRHFWFBPRTL-UONOGXRCSA-N 0 2 411.911 3.576 20 0 HHADLN O=C(CC(F)(F)F)Nc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000509374549 1003802821 /nfs/dbraw/zinc/80/28/21/1003802821.db2.gz HRAXPOOFRSMFPC-UHFFFAOYSA-N 0 2 424.404 3.564 20 0 HHADLN Cc1ccc(-c2cncc(F)c2)cc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000509383893 1003812579 /nfs/dbraw/zinc/81/25/79/1003812579.db2.gz DRLZMELNNKWNPR-UHFFFAOYSA-N 0 2 414.384 3.756 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCS[C@@H](C)[C@@H]3c3ccccc3)=N2)cc1 ZINC000500607509 1003824650 /nfs/dbraw/zinc/82/46/50/1003824650.db2.gz MDKPIJSPXNNHBY-YCRPNKLZSA-N 0 2 409.511 3.905 20 0 HHADLN COc1ccc(C[C@H]2CCCN(C(=O)C3=NN(c4ccc(F)cc4)CC3=O)C2)cc1 ZINC000500631804 1003846517 /nfs/dbraw/zinc/84/65/17/1003846517.db2.gz BFAKJUALRLKFNM-QGZVFWFLSA-N 0 2 409.461 3.821 20 0 HHADLN CCOC(=O)c1ncc(NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)s1 ZINC000500759484 1003941062 /nfs/dbraw/zinc/94/10/62/1003941062.db2.gz RALAXOXYUFTOTA-UHFFFAOYSA-N 0 2 418.496 3.700 20 0 HHADLN Cc1cc(Br)ccc1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000509633109 1003993933 /nfs/dbraw/zinc/99/39/33/1003993933.db2.gz CCYYKPVXAGQKMZ-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000500844737 1003997165 /nfs/dbraw/zinc/99/71/65/1003997165.db2.gz ZYWYYCYBOPTAMO-UHFFFAOYSA-N 0 2 416.366 3.651 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1I ZINC000509647371 1004004351 /nfs/dbraw/zinc/00/43/51/1004004351.db2.gz XVTKPRGQWHJCQX-UHFFFAOYSA-N 0 2 409.195 3.679 20 0 HHADLN Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000512198042 1004098952 /nfs/dbraw/zinc/09/89/52/1004098952.db2.gz QXKNGIITJWBFJU-ZDUSSCGKSA-N 0 2 407.499 3.939 20 0 HHADLN CCC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)ns2)c1 ZINC000512349333 1004236872 /nfs/dbraw/zinc/23/68/72/1004236872.db2.gz UXJFWJBMKBBHGC-UHFFFAOYSA-N 0 2 407.904 3.674 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccccc2Cl)ns1)c1ccccc1OC(F)F ZINC000512349089 1004237272 /nfs/dbraw/zinc/23/72/72/1004237272.db2.gz RYBUASNMYODSPV-UHFFFAOYSA-N 0 2 417.846 3.683 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3ccccc3Cl)ns2)c1 ZINC000512352628 1004239666 /nfs/dbraw/zinc/23/96/66/1004239666.db2.gz KTAUWAUKOLHTKA-UHFFFAOYSA-N 0 2 416.311 3.743 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccccc2Cl)ns1)c1cc(F)ccc1Cl ZINC000512352809 1004240085 /nfs/dbraw/zinc/24/00/85/1004240085.db2.gz MEFAKSVUDBSNMB-UHFFFAOYSA-N 0 2 404.275 3.874 20 0 HHADLN Cn1nc(CC(C)(C)C)cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000512367048 1004251131 /nfs/dbraw/zinc/25/11/31/1004251131.db2.gz OGJPNLNDPVYUBE-UHFFFAOYSA-N 0 2 412.515 3.553 20 0 HHADLN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@@H]([N@@H+]2CCc3ccc(C(C)(C)C)cc3C2)C1=O ZINC000510125850 1004342446 /nfs/dbraw/zinc/34/24/46/1004342446.db2.gz VDLQWPQTSXRLDP-OAQYLSRUSA-N 0 2 420.509 3.681 20 0 HHADLN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@@H]([N@H+]2CCc3ccc(C(C)(C)C)cc3C2)C1=O ZINC000510125850 1004342454 /nfs/dbraw/zinc/34/24/54/1004342454.db2.gz VDLQWPQTSXRLDP-OAQYLSRUSA-N 0 2 420.509 3.681 20 0 HHADLN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510268244 1004436960 /nfs/dbraw/zinc/43/69/60/1004436960.db2.gz NRMHNKMAOFPLDC-VIFPVBQESA-N 0 2 409.924 3.677 20 0 HHADLN O=S(=O)(Nc1nccs1)c1cccc(NCc2c[nH]nc2-c2ccccc2)c1 ZINC000512652111 1004464128 /nfs/dbraw/zinc/46/41/28/1004464128.db2.gz IHOITRXFIKBYDZ-UHFFFAOYSA-N 0 2 411.512 3.946 20 0 HHADLN COc1ccc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1OC ZINC000512663469 1004473664 /nfs/dbraw/zinc/47/36/64/1004473664.db2.gz LZRAPWNHJRBKMY-UHFFFAOYSA-N 0 2 405.501 3.573 20 0 HHADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000512766327 1004547114 /nfs/dbraw/zinc/54/71/14/1004547114.db2.gz HSMLZFDGKWDULZ-UHFFFAOYSA-N 0 2 406.847 3.946 20 0 HHADLN Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)no1 ZINC000501984891 1004846287 /nfs/dbraw/zinc/84/62/87/1004846287.db2.gz NTWBIEMQNBSWAQ-MRVPVSSYSA-N 0 2 404.275 3.694 20 0 HHADLN Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)no1 ZINC000501984892 1004846342 /nfs/dbraw/zinc/84/63/42/1004846342.db2.gz NTWBIEMQNBSWAQ-QMMMGPOBSA-N 0 2 404.275 3.694 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NCc1ccc(OC2CCCC2)cc1 ZINC000502187456 1004946509 /nfs/dbraw/zinc/94/65/09/1004946509.db2.gz RDBUWWOPLFAEMQ-UHFFFAOYSA-N 0 2 421.501 3.705 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)c1F ZINC000513446231 1004970029 /nfs/dbraw/zinc/97/00/29/1004970029.db2.gz COXWYZMYGLLOEQ-UHFFFAOYSA-N 0 2 401.250 3.822 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NC1(c2ccc(Cl)cc2)CCC1 ZINC000502285570 1004993451 /nfs/dbraw/zinc/99/34/51/1004993451.db2.gz DATNBUOZIPXVLG-UHFFFAOYSA-N 0 2 411.893 3.916 20 0 HHADLN CC(C)c1ccc(O[C@H](C)CNC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000502302144 1005000903 /nfs/dbraw/zinc/00/09/03/1005000903.db2.gz JXZXFMLMHCPWJW-QGZVFWFLSA-N 0 2 423.517 3.774 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000502402512 1005059163 /nfs/dbraw/zinc/05/91/63/1005059163.db2.gz GUXBAPKXBVNHDU-UHFFFAOYSA-N 0 2 405.806 3.604 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000502403170 1005059499 /nfs/dbraw/zinc/05/94/99/1005059499.db2.gz IOTFXROOKJMAND-UHFFFAOYSA-N 0 2 421.313 3.733 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2noc(C(C)(C)C)n2)cc1Cl ZINC000502407864 1005062458 /nfs/dbraw/zinc/06/24/58/1005062458.db2.gz BMCNMDYPIOORLN-UHFFFAOYSA-N 0 2 424.704 3.592 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1ncc(C(C)C)s1 ZINC000502479104 1005087763 /nfs/dbraw/zinc/08/77/63/1005087763.db2.gz SIDGOCBWYKRQEA-UHFFFAOYSA-N 0 2 409.302 3.978 20 0 HHADLN O=S(=O)(Nc1ccc(COc2ccc(Br)cc2)cc1)c1cn[nH]c1 ZINC000511258563 1005095502 /nfs/dbraw/zinc/09/55/02/1005095502.db2.gz FQAVGPNUPWMYLR-UHFFFAOYSA-N 0 2 408.277 3.552 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(OC)c(OC)cc3Cl)s[nH]2)c1 ZINC000513778015 1005122174 /nfs/dbraw/zinc/12/21/74/1005122174.db2.gz FXSJHMUSGXVFSM-UHFFFAOYSA-N 0 2 405.863 3.559 20 0 HHADLN CCOc1ccc(C2(CNC(=O)c3c[nH]c4nc(C)ccc4c3=O)CCOCC2)cc1 ZINC000502724317 1005192187 /nfs/dbraw/zinc/19/21/87/1005192187.db2.gz PNHMWLHLJKOXQJ-UHFFFAOYSA-N 0 2 421.497 3.521 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cnc(-c3cccc(O)c3)nc2)cc1C(F)(F)F ZINC000502763766 1005206851 /nfs/dbraw/zinc/20/68/51/1005206851.db2.gz WLHGQNFKVLCWMY-UHFFFAOYSA-N 0 2 409.389 3.977 20 0 HHADLN COc1cc(C)ccc1NS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000502774437 1005211986 /nfs/dbraw/zinc/21/19/86/1005211986.db2.gz OGZSBAXIGGFLOE-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1ccc(OC(C)C)nc1 ZINC000502808537 1005226401 /nfs/dbraw/zinc/22/64/01/1005226401.db2.gz GLBMOGHRGWHKBN-UHFFFAOYSA-N 0 2 419.272 3.580 20 0 HHADLN CC1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3F)cc2)CC1 ZINC000511623939 1005248956 /nfs/dbraw/zinc/24/89/56/1005248956.db2.gz DTFAPZKANQDKAU-UHFFFAOYSA-N 0 2 412.433 3.777 20 0 HHADLN COc1ccc(CN(CC2CC2)C(=O)N=c2nc(C(C)(C)C)[nH]s2)c(OC)c1 ZINC000503108671 1005349312 /nfs/dbraw/zinc/34/93/12/1005349312.db2.gz JETKYHYZXTUIKK-UHFFFAOYSA-N 0 2 404.536 3.719 20 0 HHADLN O=S(=O)(c1ccc2ncccc2c1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000503244510 1005375783 /nfs/dbraw/zinc/37/57/83/1005375783.db2.gz JHMFICQJFCSWCM-IBGZPJMESA-N 0 2 405.483 3.546 20 0 HHADLN CC(C)NC(=O)c1ccc(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc1 ZINC000503316828 1005389166 /nfs/dbraw/zinc/38/91/66/1005389166.db2.gz NSWZYGRZYCVAOA-UHFFFAOYSA-N 0 2 400.891 3.671 20 0 HHADLN COC(=O)c1csc(S(=O)(=O)Nc2ccc(-n3cnc4ccccc43)cc2)c1 ZINC000503422175 1005415658 /nfs/dbraw/zinc/41/56/58/1005415658.db2.gz AFNHCJFVILYLNS-UHFFFAOYSA-N 0 2 413.480 3.674 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cnn(Cc3ccncc3)c2)c2ccccc12 ZINC000503430285 1005418233 /nfs/dbraw/zinc/41/82/33/1005418233.db2.gz RIBCNBKKJXWKJT-UHFFFAOYSA-N 0 2 408.483 3.679 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc(Cl)c(OC(F)F)c3)cnc2c1Cl ZINC000504025609 1005535354 /nfs/dbraw/zinc/53/53/54/1005535354.db2.gz RKMVEXMDTKABBB-UHFFFAOYSA-N 0 2 423.228 3.747 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1cccc(OCCF)c1 ZINC000504045544 1005539776 /nfs/dbraw/zinc/53/97/76/1005539776.db2.gz RFGQMSIANPNTMR-UHFFFAOYSA-N 0 2 422.247 3.746 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCOC[C@H]1c1nc2ccccc2s1 ZINC000504187567 1005569469 /nfs/dbraw/zinc/56/94/69/1005569469.db2.gz GBBWATVZYFVADH-INIZCTEOSA-N 0 2 424.457 3.540 20 0 HHADLN C[C@@H](NC(=O)N=c1nc(-c2ccccc2)[nH]s1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000531342147 1006135822 /nfs/dbraw/zinc/13/58/22/1006135822.db2.gz YKHBNMIVPKVVQT-CYBMUJFWSA-N 0 2 422.514 3.794 20 0 HHADLN CCc1ccc2nc(NS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)sc2c1 ZINC000534205626 1006198831 /nfs/dbraw/zinc/19/88/31/1006198831.db2.gz OMWGLPFMGYAXRW-UHFFFAOYSA-N 0 2 401.513 3.934 20 0 HHADLN Cc1cccc2c1CC[C@@H]2NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000531645713 1006325935 /nfs/dbraw/zinc/32/59/35/1006325935.db2.gz VVQORRLRDAJYFQ-SFHVURJKSA-N 0 2 413.524 3.670 20 0 HHADLN CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc(F)c(Br)cc2F)c1 ZINC000534497726 1006496399 /nfs/dbraw/zinc/49/63/99/1006496399.db2.gz QCHJFAVWCKVOQP-UHFFFAOYSA-N 0 2 419.247 3.795 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc3ncccc3c2)nc1C(C)C ZINC000534498259 1006496495 /nfs/dbraw/zinc/49/64/95/1006496495.db2.gz YBSGRKJELXGWNB-UHFFFAOYSA-N 0 2 405.501 3.792 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cn3cccnc3=O)c2)c1Cl ZINC000515630059 1006567624 /nfs/dbraw/zinc/56/76/24/1006567624.db2.gz SKMCFCSGNCUQGM-UHFFFAOYSA-N 0 2 424.309 3.708 20 0 HHADLN Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000515705917 1006602781 /nfs/dbraw/zinc/60/27/81/1006602781.db2.gz UDOTZHOQSWYFNE-UHFFFAOYSA-N 0 2 402.479 3.647 20 0 HHADLN CC1(C)CCC(CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 ZINC000534749806 1006742365 /nfs/dbraw/zinc/74/23/65/1006742365.db2.gz RWXVGSOWTJKLQG-UHFFFAOYSA-N 0 2 407.561 3.890 20 0 HHADLN COc1cc(OC)c(NS(=O)(=O)c2cc(Cl)c(OC)cc2Cl)cc1F ZINC000532291306 1006774880 /nfs/dbraw/zinc/77/48/80/1006774880.db2.gz KCSIULPATMAJAF-UHFFFAOYSA-N 0 2 410.250 3.959 20 0 HHADLN COC(=O)c1csc(NS(=O)(=O)c2cc(Br)ccc2Cl)c1 ZINC000532364747 1006822704 /nfs/dbraw/zinc/82/27/04/1006822704.db2.gz NDIDQZUMCRGAMB-UHFFFAOYSA-N 0 2 410.698 3.751 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000534839319 1006855587 /nfs/dbraw/zinc/85/55/87/1006855587.db2.gz HDSAELMQSPPGPE-KRWDZBQOSA-N 0 2 401.825 3.664 20 0 HHADLN COc1cc(NC(=O)c2cccc(Br)c2O)ncc1Br ZINC000534999831 1007060223 /nfs/dbraw/zinc/06/02/23/1007060223.db2.gz LEJWDFPYXQDOKR-UHFFFAOYSA-N 0 2 402.042 3.573 20 0 HHADLN O=C(c1csc(-c2ccc(Cl)cc2Cl)n1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000538821447 1007096234 /nfs/dbraw/zinc/09/62/34/1007096234.db2.gz KJDZEBRCMBDUBZ-UHFFFAOYSA-N 0 2 424.313 3.960 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1cc(F)cc(Cl)c1 ZINC000535136497 1007174762 /nfs/dbraw/zinc/17/47/62/1007174762.db2.gz BQSBOLXYPKKXLM-AWEZNQCLSA-N 0 2 403.834 3.977 20 0 HHADLN CCc1nc(-c2ccccc2NS(=O)(=O)c2cccc(C)c2Br)n[nH]1 ZINC000535138929 1007177795 /nfs/dbraw/zinc/17/77/95/1007177795.db2.gz OZDDHARLLSWAKC-UHFFFAOYSA-N 0 2 421.320 3.906 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(OC(C)C)cc2C(F)(F)F)c(C)o1 ZINC000532845746 1007230850 /nfs/dbraw/zinc/23/08/50/1007230850.db2.gz QSEUIFCBBITBHJ-UHFFFAOYSA-N 0 2 421.393 3.981 20 0 HHADLN Cc1cc(C)nc(-n2nccc2NS(=O)(=O)c2ccc3oc4ccccc4c3c2)n1 ZINC000532906934 1007281643 /nfs/dbraw/zinc/28/16/43/1007281643.db2.gz MCLQQMOJOBJNFL-UHFFFAOYSA-N 0 2 419.466 3.979 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000535235335 1007289677 /nfs/dbraw/zinc/28/96/77/1007289677.db2.gz ZFSNKKJPINMJLR-UHFFFAOYSA-N 0 2 411.531 3.797 20 0 HHADLN Cc1ccc(CC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cc1O ZINC000539025741 1007323839 /nfs/dbraw/zinc/32/38/39/1007323839.db2.gz SYBRGKKBRKQLAI-UHFFFAOYSA-N 0 2 405.227 3.569 20 0 HHADLN O=C(CN(Cc1ccccc1)Cc1ccccc1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535308313 1007359801 /nfs/dbraw/zinc/35/98/01/1007359801.db2.gz WVLQTVOLYHTPGI-UHFFFAOYSA-N 0 2 415.522 3.663 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)nc1C1CC1 ZINC000535387157 1007452032 /nfs/dbraw/zinc/45/20/32/1007452032.db2.gz DDYSFHPKBKKQOL-UHFFFAOYSA-N 0 2 406.407 3.627 20 0 HHADLN CCOc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC ZINC000535617455 1007622242 /nfs/dbraw/zinc/62/22/42/1007622242.db2.gz NUHGCGKKULTKSB-UHFFFAOYSA-N 0 2 424.906 3.897 20 0 HHADLN O=C(NCc1ccccc1)c1cccc(NS(=O)(=O)c2cccc(F)c2F)c1 ZINC000535685376 1007716612 /nfs/dbraw/zinc/71/66/12/1007716612.db2.gz FQALLMRRIXDPPE-UHFFFAOYSA-N 0 2 402.422 3.696 20 0 HHADLN CC(C)(C)Cc1csc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)n1 ZINC000539556113 1007868317 /nfs/dbraw/zinc/86/83/17/1007868317.db2.gz UOEXRCPSBCEMPV-UHFFFAOYSA-N 0 2 402.925 3.957 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cccc(-c3ccccc3OC)c2)c(C)o1 ZINC000533628983 1007932538 /nfs/dbraw/zinc/93/25/38/1007932538.db2.gz GCSYDMRBGRUNOL-UHFFFAOYSA-N 0 2 401.440 3.851 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000535926872 1007948604 /nfs/dbraw/zinc/94/86/04/1007948604.db2.gz ADAHUMWICXHOGQ-STQMWFEESA-N 0 2 406.389 3.663 20 0 HHADLN COc1c(F)cc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cc1F ZINC000535989334 1008029260 /nfs/dbraw/zinc/02/92/60/1008029260.db2.gz UJCNQWYCQHCCDV-UHFFFAOYSA-N 0 2 414.174 3.815 20 0 HHADLN C[C@@](CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)(C(=O)[O-])c1ccccc1 ZINC000533784109 1008106664 /nfs/dbraw/zinc/10/66/64/1008106664.db2.gz BYIHXEWRGLNWTQ-DEOSSOPVSA-N 0 2 401.466 3.973 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2cncc(Br)c2)c1Br ZINC000533784222 1008107269 /nfs/dbraw/zinc/10/72/69/1008107269.db2.gz GOFOUCPFHAIGAL-UHFFFAOYSA-N 0 2 406.099 3.716 20 0 HHADLN CC(=O)N1CC[C@H](NC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)c2ccccc21 ZINC000533860590 1008163385 /nfs/dbraw/zinc/16/33/85/1008163385.db2.gz MEUVBQCMPFSABQ-FQEVSTJZSA-N 0 2 418.497 3.929 20 0 HHADLN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000539931323 1008190134 /nfs/dbraw/zinc/19/01/34/1008190134.db2.gz JHEDZZPXWWSFMX-OAHLLOKOSA-N 0 2 410.236 3.556 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)c1C ZINC000518241357 1008221983 /nfs/dbraw/zinc/22/19/83/1008221983.db2.gz GDXOHHCXFLDVGE-UHFFFAOYSA-N 0 2 407.536 3.831 20 0 HHADLN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000518368476 1008278648 /nfs/dbraw/zinc/27/86/48/1008278648.db2.gz OWOXLBFHMZKGNP-AWEZNQCLSA-N 0 2 406.939 3.646 20 0 HHADLN Cc1ccc(-c2nc(S(=O)(=O)[C@@H](C)C(=O)Nc3cccc(Cl)c3C)n[nH]2)cc1 ZINC000518684106 1008391326 /nfs/dbraw/zinc/39/13/26/1008391326.db2.gz ZRDBBRQGPPJOQT-ZDUSSCGKSA-N 0 2 418.906 3.543 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)c1Cl ZINC000540499289 1008457081 /nfs/dbraw/zinc/45/70/81/1008457081.db2.gz XZRKLJNTDQNBDT-UHFFFAOYSA-N 0 2 417.874 3.735 20 0 HHADLN O=C(COc1ccccc1)N1CCC[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2O)C1 ZINC000545447387 1008559698 /nfs/dbraw/zinc/55/96/98/1008559698.db2.gz ODNMZYVWURQGRD-CYBMUJFWSA-N 0 2 423.296 3.955 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)cnn1-c1ccccc1 ZINC000543023369 1008604045 /nfs/dbraw/zinc/60/40/45/1008604045.db2.gz WDCBRCIKESYYKZ-UHFFFAOYSA-N 0 2 424.526 3.518 20 0 HHADLN Cc1nc2cccc(C(=O)Nc3ccccc3NS(=O)(=O)c3ccccc3)c2[nH]1 ZINC000549086898 1008651147 /nfs/dbraw/zinc/65/11/47/1008651147.db2.gz PVUVZXKEBSMPKS-UHFFFAOYSA-N 0 2 406.467 3.924 20 0 HHADLN CC(=O)N(Cc1ccc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)cc1)C(C)C ZINC000543162532 1008736062 /nfs/dbraw/zinc/73/60/62/1008736062.db2.gz FRFNMXQXXREDTF-UHFFFAOYSA-N 0 2 420.579 3.714 20 0 HHADLN COC(=O)c1csc(S(=O)(=O)[N-]c2ccc(-c3[nH+]cc4n3CCCC4)cc2)c1 ZINC000519478067 1008852981 /nfs/dbraw/zinc/85/29/81/1008852981.db2.gz MKPZJBDYRVCXKL-UHFFFAOYSA-N 0 2 417.512 3.535 20 0 HHADLN C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000546088528 1009114080 /nfs/dbraw/zinc/11/40/80/1009114080.db2.gz QKTMCPUHEDMDDA-QMMMGPOBSA-N 0 2 406.252 3.696 20 0 HHADLN O=S(=O)(N[C@H](c1nccs1)C(F)(F)F)c1cc(Br)ccc1F ZINC000549524045 1009133529 /nfs/dbraw/zinc/13/35/29/1009133529.db2.gz DFJGBPVXXMNKRW-SECBINFHSA-N 0 2 419.219 3.627 20 0 HHADLN CS(=O)(=O)Nc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2O)ccc1Cl ZINC000546151294 1009181967 /nfs/dbraw/zinc/18/19/67/1009181967.db2.gz LDYQZIKBWIUQIO-UHFFFAOYSA-N 0 2 409.678 3.976 20 0 HHADLN CC(C)S(=O)(=O)c1ccccc1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000520098922 1009257423 /nfs/dbraw/zinc/25/74/23/1009257423.db2.gz FIMJGTLKJTZHPJ-UHFFFAOYSA-N 0 2 421.931 3.715 20 0 HHADLN CCN(CC)c1ccc(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cn1 ZINC000543654772 1009261265 /nfs/dbraw/zinc/26/12/65/1009261265.db2.gz QIKSFMXBOMQBNU-UHFFFAOYSA-N 0 2 416.938 3.843 20 0 HHADLN COc1cc(NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc(OC)c1OC ZINC000543655406 1009261320 /nfs/dbraw/zinc/26/13/20/1009261320.db2.gz GBJGIMPASZVPGG-UHFFFAOYSA-N 0 2 420.878 3.950 20 0 HHADLN CCC(=O)Nc1cccc(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c1 ZINC000543657664 1009265740 /nfs/dbraw/zinc/26/57/40/1009265740.db2.gz PRIXJLOPZJIINK-UHFFFAOYSA-N 0 2 415.906 3.951 20 0 HHADLN Cc1noc(C2CCC(NC(=O)N=c3nc(-c4cccc(Cl)c4)[nH]s3)CC2)n1 ZINC000543659068 1009267880 /nfs/dbraw/zinc/26/78/80/1009267880.db2.gz ZVURQGYFFPCCEC-UHFFFAOYSA-N 0 2 418.910 3.820 20 0 HHADLN COc1ccc(-c2nc(C(=O)Nc3cc(-c4n[nH]c(=O)[nH]4)ccc3C)cs2)cc1 ZINC000549721485 1009348838 /nfs/dbraw/zinc/34/88/38/1009348838.db2.gz HNVARMJLFDHIIV-UHFFFAOYSA-N 0 2 407.455 3.870 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccc2Br)c1)c1cc(F)cc(F)c1 ZINC000549824530 1009434719 /nfs/dbraw/zinc/43/47/19/1009434719.db2.gz RDNLNCKXSFKGJD-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ncc(Cc3ccccc3F)s2)c1 ZINC000543871746 1009440647 /nfs/dbraw/zinc/44/06/47/1009440647.db2.gz BLPLXELLXXJANR-UHFFFAOYSA-N 0 2 424.450 3.600 20 0 HHADLN O=S(=O)(Nc1ccc(OC(F)F)nc1)c1cccc(Cl)c1Br ZINC000549943987 1009553065 /nfs/dbraw/zinc/55/30/65/1009553065.db2.gz UMHBYZZYSNIRFM-UHFFFAOYSA-N 0 2 413.627 3.900 20 0 HHADLN O=S(=O)(Nc1nnc(C2CC2)s1)c1cc(Br)cc2cccnc21 ZINC000520452860 1009563393 /nfs/dbraw/zinc/56/33/93/1009563393.db2.gz JHTXETNRVPXQBS-UHFFFAOYSA-N 0 2 411.306 3.527 20 0 HHADLN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000549997103 1009594821 /nfs/dbraw/zinc/59/48/21/1009594821.db2.gz XBASXAMPHOKWGE-UHFFFAOYSA-N 0 2 401.271 3.606 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@H+](CCC(C)C)C3)o1 ZINC000544079374 1009685420 /nfs/dbraw/zinc/68/54/20/1009685420.db2.gz CDWPLHNXSDYQSA-UHFFFAOYSA-N 0 2 406.504 3.619 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@@H+](CCC(C)C)C3)o1 ZINC000544079374 1009685426 /nfs/dbraw/zinc/68/54/26/1009685426.db2.gz CDWPLHNXSDYQSA-UHFFFAOYSA-N 0 2 406.504 3.619 20 0 HHADLN Cc1ccccc1CCc1cc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)[nH]n1 ZINC000544080384 1009686907 /nfs/dbraw/zinc/68/69/07/1009686907.db2.gz OHFTWJKEKWYWQT-UHFFFAOYSA-N 0 2 424.526 3.579 20 0 HHADLN CC1CCN(C(=O)c2ccc(NS(=O)(=O)c3cnn(-c4ccccc4)c3)cc2)CC1 ZINC000520619678 1009697064 /nfs/dbraw/zinc/69/70/64/1009697064.db2.gz NVQPJPHSXQPFJP-UHFFFAOYSA-N 0 2 424.526 3.545 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c(Cl)c1 ZINC000520644075 1009718421 /nfs/dbraw/zinc/71/84/21/1009718421.db2.gz RHLBWJPZJPESOI-INIZCTEOSA-N 0 2 407.879 3.877 20 0 HHADLN CCN1C(=O)CCc2cc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)ccc21 ZINC000546779456 1009745407 /nfs/dbraw/zinc/74/54/07/1009745407.db2.gz JTANPQIVKPIFSP-UHFFFAOYSA-N 0 2 416.396 3.944 20 0 HHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000546859711 1009822252 /nfs/dbraw/zinc/82/22/52/1009822252.db2.gz TXIVZBDMBMMADT-SNVBAGLBSA-N 0 2 401.196 3.969 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2nc(/C=C\c3ccccc3)cs2)cn1C ZINC000546887343 1009846983 /nfs/dbraw/zinc/84/69/83/1009846983.db2.gz YRUGEBKNDAKAFJ-KTKRTIGZSA-N 0 2 417.512 3.630 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1ccc2nsnc2c1 ZINC000544333647 1009957443 /nfs/dbraw/zinc/95/74/43/1009957443.db2.gz MZYZAEZSYIVXST-UHFFFAOYSA-N 0 2 419.239 3.630 20 0 HHADLN CC(=O)c1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)cc1 ZINC000520942877 1009997396 /nfs/dbraw/zinc/99/73/96/1009997396.db2.gz RUPMCSMUJOSCQL-UHFFFAOYSA-N 0 2 407.854 3.727 20 0 HHADLN NC(=O)c1ccc(Oc2ccc(C(=O)Nc3nc(-c4ccccc4F)n[nH]3)cc2)cc1 ZINC000521018396 1010054612 /nfs/dbraw/zinc/05/46/12/1010054612.db2.gz APQMJACVCOWHDE-UHFFFAOYSA-N 0 2 417.400 3.754 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cccc2c1OCCO2 ZINC000521144399 1010171058 /nfs/dbraw/zinc/17/10/58/1010171058.db2.gz JANSDDRAFHIGQC-UHFFFAOYSA-N 0 2 407.451 3.802 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](c3ccccc3)[C@@H]3CCOC3)s[nH]2)c1 ZINC000544594500 1010220411 /nfs/dbraw/zinc/22/04/11/1010220411.db2.gz NNQVMLWPRIFMFK-SJLPKXTDSA-N 0 2 410.499 3.535 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2)ccc1F ZINC000547337212 1010258790 /nfs/dbraw/zinc/25/87/90/1010258790.db2.gz QKGIHRIOCCPICK-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN C[C@@H]1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)C[C@@H]1n1ccnc1 ZINC000544638530 1010263116 /nfs/dbraw/zinc/26/31/16/1010263116.db2.gz BPFZYVQQZXBFBM-DOMZBBRYSA-N 0 2 402.911 3.592 20 0 HHADLN Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000544638566 1010263143 /nfs/dbraw/zinc/26/31/43/1010263143.db2.gz DHNKFOWDBXQWJZ-HNNXBMFYSA-N 0 2 416.938 4.000 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)s1 ZINC000544665989 1010284508 /nfs/dbraw/zinc/28/45/08/1010284508.db2.gz IXGAGBXVRXBMHC-GFCCVEGCSA-N 0 2 413.826 3.770 20 0 HHADLN CC(=O)Nc1ccc2nc(NS(=O)(=O)c3c(C)n(C)c4ccccc43)sc2c1 ZINC000551018360 1010320555 /nfs/dbraw/zinc/32/05/55/1010320555.db2.gz CCHRIMZOZKVCTF-UHFFFAOYSA-N 0 2 414.512 3.856 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1nc[nH]n1)c1cccc(Br)c1Cl ZINC000551107775 1010373339 /nfs/dbraw/zinc/37/33/39/1010373339.db2.gz CXEVYXHJSOIOOF-UHFFFAOYSA-N 0 2 413.684 3.688 20 0 HHADLN Cc1ccc(SCC(F)(F)F)c(NS(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC000551113236 1010377341 /nfs/dbraw/zinc/37/73/41/1010377341.db2.gz SEOOQOILIRRYHS-UHFFFAOYSA-N 0 2 415.409 3.912 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CCOCC3(CCC3)C2)cc1 ZINC000544814361 1010408221 /nfs/dbraw/zinc/40/82/21/1010408221.db2.gz VRFHLCJEERNBLI-UHFFFAOYSA-N 0 2 420.556 3.500 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ccnc2c(Cl)cc(Br)cc12 ZINC000551171832 1010415556 /nfs/dbraw/zinc/41/55/56/1010415556.db2.gz UFPCQZXQSMCSSN-UHFFFAOYSA-N 0 2 415.700 3.668 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccccc1)c1cccc(Br)c1F ZINC000551174261 1010418177 /nfs/dbraw/zinc/41/81/77/1010418177.db2.gz OVUFBWHZDRUSMD-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)ccc1C(=O)OC(C)(C)C ZINC000547822310 1010439534 /nfs/dbraw/zinc/43/95/34/1010439534.db2.gz QAPIONPFCNULCF-UHFFFAOYSA-N 0 2 419.425 3.510 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cccc(OC(F)F)c2)cc1Cl ZINC000521527191 1010440125 /nfs/dbraw/zinc/44/01/25/1010440125.db2.gz HDWKPKVMKYXIFW-UHFFFAOYSA-N 0 2 408.785 3.840 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2F)ccc1Br ZINC000548031003 1010507372 /nfs/dbraw/zinc/50/73/72/1010507372.db2.gz IKNIBXRKBFPYOG-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccccc2N2CCCC2)c1OC ZINC000551388350 1010555262 /nfs/dbraw/zinc/55/52/62/1010555262.db2.gz JQXWHQJVYYIUGJ-UHFFFAOYSA-N 0 2 424.906 3.536 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)o2)c(C)o1 ZINC000548369052 1010603211 /nfs/dbraw/zinc/60/32/11/1010603211.db2.gz QJEHSQYUYGTLKG-UHFFFAOYSA-N 0 2 403.338 3.646 20 0 HHADLN O=S(=O)(Nc1cccc2c1OCCO2)c1cccc(Br)c1Cl ZINC000551467174 1010603329 /nfs/dbraw/zinc/60/33/29/1010603329.db2.gz SMZLFMPWGICYND-UHFFFAOYSA-N 0 2 404.669 3.675 20 0 HHADLN COCCOc1c(Cl)cccc1NS(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000551468143 1010604609 /nfs/dbraw/zinc/60/46/09/1010604609.db2.gz VFRZJSZBPQXSCV-UHFFFAOYSA-N 0 2 408.907 3.966 20 0 HHADLN CCc1c(C(=O)Nc2nc(-c3ccccc3OC)n[nH]2)nnn1-c1cccc(Cl)c1 ZINC000521848473 1010656950 /nfs/dbraw/zinc/65/69/50/1010656950.db2.gz DVHSRIMQMRPECH-UHFFFAOYSA-N 0 2 423.864 3.529 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2)cc1 ZINC000545216265 1010688192 /nfs/dbraw/zinc/68/81/92/1010688192.db2.gz XEYPFFYGZGFILU-UHFFFAOYSA-N 0 2 416.524 3.851 20 0 HHADLN C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000545367920 1010755415 /nfs/dbraw/zinc/75/54/15/1010755415.db2.gz QXWOVRQJJBYYDU-JTQLQIEISA-N 0 2 419.296 3.828 20 0 HHADLN C[C@@H](C(F)(F)F)S(=O)(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000545367920 1010755421 /nfs/dbraw/zinc/75/54/21/1010755421.db2.gz QXWOVRQJJBYYDU-JTQLQIEISA-N 0 2 419.296 3.828 20 0 HHADLN CCc1cc(=O)[nH]c(-c2cccc(NS(=O)(=O)c3cccnc3C(F)(F)F)c2)n1 ZINC000522027728 1010763652 /nfs/dbraw/zinc/76/36/52/1010763652.db2.gz CRTQRSHUNZLQAP-UHFFFAOYSA-N 0 2 424.404 3.626 20 0 HHADLN CC(=O)Nc1ccc(Br)cc1NS(=O)(=O)c1cccc2cccnc21 ZINC000522473995 1011035109 /nfs/dbraw/zinc/03/51/09/1011035109.db2.gz ZYONDVDNXANQEL-UHFFFAOYSA-N 0 2 420.288 3.757 20 0 HHADLN O=C(Nc1ccncc1)c1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000522597778 1011100930 /nfs/dbraw/zinc/10/09/30/1011100930.db2.gz YKLIMBCWVMGQKF-UHFFFAOYSA-N 0 2 422.293 3.863 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccccc3N3CCCCCC3)cnc2c1Cl ZINC000540565743 1011224113 /nfs/dbraw/zinc/22/41/13/1011224113.db2.gz BIIRLFFGFVVKCY-UHFFFAOYSA-N 0 2 419.938 3.872 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCCC(F)(F)F)cc2)nc(C)n1 ZINC000536127936 1011251199 /nfs/dbraw/zinc/25/11/99/1011251199.db2.gz UIYKBBCFICCKEQ-UHFFFAOYSA-N 0 2 416.425 3.565 20 0 HHADLN COc1ccnc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 ZINC000536301809 1011491037 /nfs/dbraw/zinc/49/10/37/1011491037.db2.gz DJXQIRRYIVVFPZ-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN CCOc1ccc2nc(NS(=O)(=O)c3ccc(F)c(NC(C)=O)c3)sc2c1 ZINC000523043943 1011513044 /nfs/dbraw/zinc/51/30/44/1011513044.db2.gz VQEQURHXNWYFLB-UHFFFAOYSA-N 0 2 409.464 3.593 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)s[nH]1 ZINC000540862411 1011533358 /nfs/dbraw/zinc/53/33/58/1011533358.db2.gz FADCSMRTFBZOGI-AWEZNQCLSA-N 0 2 417.583 3.835 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cc(-c2nc(C)no2)ccc1C ZINC000523074448 1011543571 /nfs/dbraw/zinc/54/35/71/1011543571.db2.gz KJSZGJDQNXVPHY-UHFFFAOYSA-N 0 2 421.862 3.594 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc3ncccc32)c(Br)c1 ZINC000536458359 1011677342 /nfs/dbraw/zinc/67/73/42/1011677342.db2.gz FYQRAKGUABYTKX-UHFFFAOYSA-N 0 2 421.272 3.585 20 0 HHADLN COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1ncc(C2CCCCC2)s1 ZINC000541071443 1011711359 /nfs/dbraw/zinc/71/13/59/1011711359.db2.gz YFCQRQOVJCFMSW-UHFFFAOYSA-N 0 2 423.560 3.636 20 0 HHADLN O=S(=O)(Nc1ccccc1OCc1cscn1)c1ccc(C(F)(F)F)nc1 ZINC000541079535 1011720585 /nfs/dbraw/zinc/72/05/85/1011720585.db2.gz PCQQZJPHISMFMU-UHFFFAOYSA-N 0 2 415.418 3.937 20 0 HHADLN CCOC(=O)c1ncc(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)s1 ZINC000536587451 1011750137 /nfs/dbraw/zinc/75/01/37/1011750137.db2.gz CIHAORUDDINGSW-UHFFFAOYSA-N 0 2 400.481 3.692 20 0 HHADLN Cc1cc(C)n(Cc2cccc(C(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)c2)n1 ZINC000523327599 1011802758 /nfs/dbraw/zinc/80/27/58/1011802758.db2.gz GQCMWLGLMGBHMX-UHFFFAOYSA-N 0 2 407.499 3.531 20 0 HHADLN Cc1cc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)ccc1OCCO ZINC000541167126 1011838132 /nfs/dbraw/zinc/83/81/32/1011838132.db2.gz DXDSMGGPWZLSOX-UHFFFAOYSA-N 0 2 416.275 3.771 20 0 HHADLN Cc1cccc(NC(=O)c2cccc(Br)c2O)c1C(=O)N1CCCC1 ZINC000536703591 1011874029 /nfs/dbraw/zinc/87/40/29/1011874029.db2.gz VPRDYWOCLUJGPT-UHFFFAOYSA-N 0 2 403.276 3.951 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1Cl ZINC000523507380 1012030796 /nfs/dbraw/zinc/03/07/96/1012030796.db2.gz UUFQVFBSMHBXHN-UHFFFAOYSA-N 0 2 403.888 3.574 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)CCCC1CCOCC1 ZINC000552002706 1012042438 /nfs/dbraw/zinc/04/24/38/1012042438.db2.gz BLQGGOCDJNUDPJ-OAQYLSRUSA-N 0 2 413.562 3.823 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)CC1CCSCC1 ZINC000552002797 1012044027 /nfs/dbraw/zinc/04/40/27/1012044027.db2.gz LRJSTVIFLYVVDF-IBGZPJMESA-N 0 2 401.576 3.759 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)NCc3ccc(C[S@@](C)=O)cc3)=N2)c1 ZINC000552129436 1012147356 /nfs/dbraw/zinc/14/73/56/1012147356.db2.gz RDBAACZVJRBUDI-GDLZYMKVSA-N 0 2 411.527 3.510 20 0 HHADLN CCCN1C(=O)CCc2cc(NS(=O)(=O)c3c(C)nn(C(C)C)c3C)ccc21 ZINC000536901536 1012160557 /nfs/dbraw/zinc/16/05/57/1012160557.db2.gz QLEWPSWXCIKXFN-UHFFFAOYSA-N 0 2 404.536 3.571 20 0 HHADLN CC(C)c1cc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)c2cnn(C(C)C)c2n1 ZINC000552256066 1012266391 /nfs/dbraw/zinc/26/63/91/1012266391.db2.gz KMAMOCJXZRCPFL-UHFFFAOYSA-N 0 2 405.462 3.879 20 0 HHADLN Cc1ccc(-n2nc(C(=O)Nc3cccc(-c4n[nH]c(=O)[nH]4)c3)c3c2CCC3)c(F)c1 ZINC000552288001 1012299977 /nfs/dbraw/zinc/29/99/77/1012299977.db2.gz XPMFZIDDVITKHF-UHFFFAOYSA-N 0 2 418.432 3.552 20 0 HHADLN CC(C)S(=O)(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000537030213 1012342191 /nfs/dbraw/zinc/34/21/91/1012342191.db2.gz GPXOVLQOTSFWJF-UHFFFAOYSA-N 0 2 408.328 3.976 20 0 HHADLN CCN(CC(=O)N1CCCCCC1)C(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O ZINC000552380247 1012390326 /nfs/dbraw/zinc/39/03/26/1012390326.db2.gz KLAWAAZKSDBXLH-UHFFFAOYSA-N 0 2 412.534 3.566 20 0 HHADLN COc1ccc(Br)cc1CN(C)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000552528098 1012545589 /nfs/dbraw/zinc/54/55/89/1012545589.db2.gz PITJDWNJYOBBGP-UHFFFAOYSA-N 0 2 416.275 3.621 20 0 HHADLN Cc1cccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c1Cl ZINC000537184503 1012593727 /nfs/dbraw/zinc/59/37/27/1012593727.db2.gz TWUGATQPMVSSLQ-HNNXBMFYSA-N 0 2 402.907 3.959 20 0 HHADLN CC[C@@H](C)n1nc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1C ZINC000537210765 1012633473 /nfs/dbraw/zinc/63/34/73/1012633473.db2.gz TXYAVJRKGXLOMT-GFCCVEGCSA-N 0 2 419.532 3.672 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000541796352 1012672082 /nfs/dbraw/zinc/67/20/82/1012672082.db2.gz HOEBJQPKYUDRJC-CFVMTHIKSA-N 0 2 404.923 3.750 20 0 HHADLN CN1c2ccc(S(=O)(=O)Nc3cncnc3-c3ccccc3)c3cccc(c23)C1=O ZINC000541833101 1012721018 /nfs/dbraw/zinc/72/10/18/1012721018.db2.gz UGAQMMLPMOHACV-UHFFFAOYSA-N 0 2 416.462 3.688 20 0 HHADLN CCCN(C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)[C@H](C)c1cc2ccccc2o1 ZINC000524099727 1012873901 /nfs/dbraw/zinc/87/39/01/1012873901.db2.gz NNYOGXVAOLJUFC-CYBMUJFWSA-N 0 2 414.531 3.942 20 0 HHADLN O=S(=O)(Nc1ncn(-c2ccccc2)n1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000542001518 1012881757 /nfs/dbraw/zinc/88/17/57/1012881757.db2.gz NNLRMIBALNPGCF-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)[C@H]2CCCC[C@@H]12 ZINC000542027345 1012923570 /nfs/dbraw/zinc/92/35/70/1012923570.db2.gz YCTYETVPDTUASK-COXVUDFISA-N 0 2 420.560 3.986 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cnn1-c1ccccc1 ZINC000542092927 1013019105 /nfs/dbraw/zinc/01/91/05/1013019105.db2.gz DZBVIXJLIMLTKJ-UHFFFAOYSA-N 0 2 421.526 3.870 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2c(-c3ccccn3)nc3ccccn32)c(C)c1F ZINC000542103484 1013036290 /nfs/dbraw/zinc/03/62/90/1013036290.db2.gz ZYMDKIXMFBDPMG-UHFFFAOYSA-N 0 2 412.446 3.653 20 0 HHADLN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2F)cc1 ZINC000614855458 1071775341 /nfs/dbraw/zinc/77/53/41/1071775341.db2.gz ARSNRQMXFLIBHK-UHFFFAOYSA-N 0 2 421.494 3.503 20 0 HHADLN Cc1cccc(Oc2ncccc2NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1C ZINC000614882330 1071956506 /nfs/dbraw/zinc/95/65/06/1071956506.db2.gz UCOITQOPXKCTPA-UHFFFAOYSA-N 0 2 410.455 3.873 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(C)c(Br)c2)c(OC)c1 ZINC000488249181 1072165482 /nfs/dbraw/zinc/16/54/82/1072165482.db2.gz YAUGECWHSGJNSC-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OCC(F)(F)F)c(C)c2)c1 ZINC000737756192 1072332673 /nfs/dbraw/zinc/33/26/73/1072332673.db2.gz DTIAGXLRFQBMRO-UHFFFAOYSA-N 0 2 421.368 3.663 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)ccc2F)cc1 ZINC000913419220 1072391430 /nfs/dbraw/zinc/39/14/30/1072391430.db2.gz GMJZIVXTNIMAJP-IFXJQAMLSA-N 0 2 420.506 3.944 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)Nc2nnc(-c3ccccc3C)o2)s1 ZINC000571506865 1072642138 /nfs/dbraw/zinc/64/21/38/1072642138.db2.gz TWROVQWXRQHGFK-UHFFFAOYSA-N 0 2 414.306 3.978 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nc(C)cc(C3CC3)n2)cnn1-c1ccc(Cl)cc1 ZINC000479124777 1072734322 /nfs/dbraw/zinc/73/43/22/1072734322.db2.gz SQWSUYBIUVTYOG-UHFFFAOYSA-N 0 2 403.895 3.611 20 0 HHADLN CCC[C@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cnn(C4CCOCC4)c3)c2C1 ZINC000479135805 1072747812 /nfs/dbraw/zinc/74/78/12/1072747812.db2.gz ABEREDTZKJRBMY-INIZCTEOSA-N 0 2 418.563 3.540 20 0 HHADLN CCC[C@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cnn(C4CCOCC4)c3)c2C1 ZINC000479135805 1072747817 /nfs/dbraw/zinc/74/78/17/1072747817.db2.gz ABEREDTZKJRBMY-INIZCTEOSA-N 0 2 418.563 3.540 20 0 HHADLN Cc1occc1-c1nnc(NS(=O)(=O)c2cc(Br)c(F)cc2C)o1 ZINC000479135559 1072748237 /nfs/dbraw/zinc/74/82/37/1072748237.db2.gz SCMZTOSBZGLXCU-UHFFFAOYSA-N 0 2 416.228 3.649 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1nnc(-c2ccccc2Cl)s1 ZINC000479146156 1072767822 /nfs/dbraw/zinc/76/78/22/1072767822.db2.gz UXNRMKSYWNEJNR-UHFFFAOYSA-N 0 2 411.892 3.677 20 0 HHADLN COc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000479408250 1072830961 /nfs/dbraw/zinc/83/09/61/1072830961.db2.gz NDASFSHJTMRMLE-UHFFFAOYSA-N 0 2 412.870 3.525 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC[C@]3(C)Cc3ccc(F)cc3)=N2)cc1 ZINC001142578130 1072867131 /nfs/dbraw/zinc/86/71/31/1072867131.db2.gz NVVLRDQGJXALTK-HSZRJFAPSA-N 0 2 409.461 3.963 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2ccccn2)cc1 ZINC000555144711 1073197518 /nfs/dbraw/zinc/19/75/18/1073197518.db2.gz SBIJNMDMCBBFDX-UHFFFAOYSA-N 0 2 402.859 3.989 20 0 HHADLN O=S(=O)(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cc(F)ccc1F ZINC000588832255 1073279523 /nfs/dbraw/zinc/27/95/23/1073279523.db2.gz HAFCNPVWHKQMIJ-UHFFFAOYSA-N 0 2 405.304 3.834 20 0 HHADLN COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2nc3c(s2)c(C)ccc3C)c1 ZINC000589974476 1073419242 /nfs/dbraw/zinc/41/92/42/1073419242.db2.gz ZKUQQNGQRGUVRJ-UHFFFAOYSA-N 0 2 420.512 3.647 20 0 HHADLN O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000555556021 1073623481 /nfs/dbraw/zinc/62/34/81/1073623481.db2.gz FYUWHAIXXINFOM-HNNXBMFYSA-N 0 2 412.877 3.763 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2cnc(C3CC3)nc2)cc1 ZINC000590677707 1073973125 /nfs/dbraw/zinc/97/31/25/1073973125.db2.gz OTHNNKMVZGGQHK-UHFFFAOYSA-N 0 2 414.512 3.777 20 0 HHADLN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1n[nH]c(C2CC2)c1Br ZINC000590837924 1074012819 /nfs/dbraw/zinc/01/28/19/1074012819.db2.gz DHXXCUDETVMIJQ-UHFFFAOYSA-N 0 2 407.659 3.740 20 0 HHADLN O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000590949184 1074048964 /nfs/dbraw/zinc/04/89/64/1074048964.db2.gz DWHOZRIUDYCVSP-DHIUTWEWSA-N 0 2 415.493 3.882 20 0 HHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2nnc([C@H]3Cc4ccccc4O3)o2)s1 ZINC000556037437 1074057622 /nfs/dbraw/zinc/05/76/22/1074057622.db2.gz RJJDEGIPANBFDS-CYBMUJFWSA-N 0 2 405.501 3.906 20 0 HHADLN COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2cnn(CC(C)C)c2C2CC2)c1 ZINC000573160610 1074254198 /nfs/dbraw/zinc/25/41/98/1074254198.db2.gz PDLCPBVDQLKMIL-UHFFFAOYSA-N 0 2 405.520 3.621 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc(OC(F)F)cc2)cc1Cl ZINC000591678836 1074478058 /nfs/dbraw/zinc/47/80/58/1074478058.db2.gz URFHNJKWNLTLEG-UHFFFAOYSA-N 0 2 408.785 3.840 20 0 HHADLN COc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3F)c2)cn1 ZINC000591681811 1074485658 /nfs/dbraw/zinc/48/56/58/1074485658.db2.gz QIGIPMSYFISWQX-UHFFFAOYSA-N 0 2 415.446 3.591 20 0 HHADLN Cc1cc(C2CC2)nc(NS(=O)(=O)c2cccc(Br)c2Cl)n1 ZINC000573533268 1074521430 /nfs/dbraw/zinc/52/14/30/1074521430.db2.gz HHLUDFANSAPUJK-UHFFFAOYSA-N 0 2 402.701 3.879 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3ccc(Oc4cccnc4)nc3)cc2[nH]c1=S ZINC000761037840 1075232344 /nfs/dbraw/zinc/23/23/44/1075232344.db2.gz LLTMXXVURFSVPE-UHFFFAOYSA-N 0 2 419.466 3.540 20 0 HHADLN Cc1cc(C)c(C)c(S(=O)(=O)Nc2nnc(CCOc3ccccc3)o2)c1C ZINC000574956152 1075432954 /nfs/dbraw/zinc/43/29/54/1075432954.db2.gz IMAVPBSTILSHLC-UHFFFAOYSA-N 0 2 401.488 3.726 20 0 HHADLN CCOc1ccc(CC(=O)NCC[C@H]2C(=O)N(Cc3ccccc3C)N=C2CC)cc1 ZINC000575105236 1075477878 /nfs/dbraw/zinc/47/78/78/1075477878.db2.gz XZSCAZKSFVQDGV-JOCHJYFZSA-N 0 2 421.541 3.867 20 0 HHADLN Cc1nc2ccc(NS(=O)(=O)c3cc(Br)cc4c3OCC4)cc2o1 ZINC000575165357 1075491872 /nfs/dbraw/zinc/49/18/72/1075491872.db2.gz HUCMBEWUETZPEF-UHFFFAOYSA-N 0 2 409.261 3.634 20 0 HHADLN O=C([O-])[C@H](NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000780397950 939116103 /nfs/dbraw/zinc/11/61/03/939116103.db2.gz KSOYJBBMOBQJAJ-IEBWSBKVSA-N 0 2 419.884 3.741 20 0 HHADLN O=c1[nH]c(Sc2nc(-c3ccccc3F)n[nH]2)nc2c1cnn2-c1ccccc1 ZINC000301349078 970882001 /nfs/dbraw/zinc/88/20/01/970882001.db2.gz LSKCZHFMNIYONJ-UHFFFAOYSA-N 0 2 405.418 3.597 20 0 HHADLN CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000537539082 1013053609 /nfs/dbraw/zinc/05/36/09/1013053609.db2.gz CCGSGRNSTLBTKN-MRXNPFEDSA-N 0 2 411.506 3.536 20 0 HHADLN CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc4ccc(Cl)cc4s3)ccc21 ZINC000302813966 971332382 /nfs/dbraw/zinc/33/23/82/971332382.db2.gz MOUAQCNZJCUEHR-UHFFFAOYSA-N 0 2 407.904 3.660 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)cc2[nH]c1=S ZINC000302851698 971353207 /nfs/dbraw/zinc/35/32/07/971353207.db2.gz QZNDHZFPIWDOCU-UHFFFAOYSA-N 0 2 421.444 3.996 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2c(Cl)nc3ccccn32)cc1Br ZINC000302997115 971443929 /nfs/dbraw/zinc/44/39/29/971443929.db2.gz TVSZXMYVHWKGJV-UHFFFAOYSA-N 0 2 400.685 3.859 20 0 HHADLN CC(C)OCCOCc1cccc(NS(=O)(=O)c2c(Cl)nc3ccccn32)c1 ZINC000303075136 971489719 /nfs/dbraw/zinc/48/97/19/971489719.db2.gz QUTJHCXWLDKYBI-UHFFFAOYSA-N 0 2 423.922 3.730 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC[C@](O)(C(F)(F)F)CC3)=N2)cc1 ZINC000553143624 1013103403 /nfs/dbraw/zinc/10/34/03/1013103403.db2.gz QFPQFOOEMPPMPA-LJQANCHMSA-N 0 2 411.424 3.621 20 0 HHADLN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000524333331 1013155308 /nfs/dbraw/zinc/15/53/08/1013155308.db2.gz YAXYUPCCTWFTIB-UHFFFAOYSA-N 0 2 403.939 3.895 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000542233348 1013188347 /nfs/dbraw/zinc/18/83/47/1013188347.db2.gz LKSIYWPCSFUTIL-UHFFFAOYSA-N 0 2 406.552 3.941 20 0 HHADLN CCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(C)ccc1OC ZINC000006316549 960882480 /nfs/dbraw/zinc/88/24/80/960882480.db2.gz RPCMGAWHIWRYRA-UHFFFAOYSA-N 0 2 400.294 3.966 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1OC ZINC000007505359 961220305 /nfs/dbraw/zinc/22/03/05/961220305.db2.gz FMLYRJHADGMWQY-UHFFFAOYSA-N 0 2 412.439 3.906 20 0 HHADLN O=C(COC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)Nc1cccc(F)c1 ZINC000009738726 961675594 /nfs/dbraw/zinc/67/55/94/961675594.db2.gz XPLYOKBLFGQOTC-UHFFFAOYSA-N 0 2 423.322 3.531 20 0 HHADLN Cc1cccc(NC(=O)COC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)c1 ZINC000009739926 961677473 /nfs/dbraw/zinc/67/74/73/961677473.db2.gz AVGDEWJMDTYQOX-UHFFFAOYSA-N 0 2 419.359 3.701 20 0 HHADLN Cc1nc(-c2cccs2)sc1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000014372062 962490527 /nfs/dbraw/zinc/49/05/27/962490527.db2.gz LWWIQJZHLRMGMN-UHFFFAOYSA-N 0 2 402.526 3.750 20 0 HHADLN O=S(=O)(c1c(Cl)ccc(F)c1F)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000553534601 1013432147 /nfs/dbraw/zinc/43/21/47/1013432147.db2.gz XYXUAFQYYJXGJV-AWEZNQCLSA-N 0 2 424.860 3.929 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(Oc3ccncc3)cc2)c1 ZINC000050534393 964349423 /nfs/dbraw/zinc/34/94/23/964349423.db2.gz XGPCMNYAEQUUAN-UHFFFAOYSA-N 0 2 402.403 3.600 20 0 HHADLN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC(F)(F)F)c1 ZINC000026535853 964593325 /nfs/dbraw/zinc/59/33/25/964593325.db2.gz JNIZOXHPEXXWQE-UHFFFAOYSA-N 0 2 409.769 3.826 20 0 HHADLN CCc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)s3)cc2)n2ncnc2n1 ZINC000052189751 964836537 /nfs/dbraw/zinc/83/65/37/964836537.db2.gz MHMJKODIZOOXIU-UHFFFAOYSA-N 0 2 415.500 3.650 20 0 HHADLN Cc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)nc1 ZINC000027642773 964936907 /nfs/dbraw/zinc/93/69/07/964936907.db2.gz TWQUMWIEHRZOHC-UHFFFAOYSA-N 0 2 416.506 3.884 20 0 HHADLN O=C(NCc1ccco1)Nc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000027802213 964975913 /nfs/dbraw/zinc/97/59/13/964975913.db2.gz QUKAUMIWMWQBIY-UHFFFAOYSA-N 0 2 407.398 3.680 20 0 HHADLN N#CCSc1ccccc1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000052951921 965027932 /nfs/dbraw/zinc/02/79/32/965027932.db2.gz NMKLSHLRCNYNDZ-UHFFFAOYSA-N 0 2 407.451 3.549 20 0 HHADLN COc1ccc2cc([C@H](C)C(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)ccc2c1 ZINC000028970436 965229535 /nfs/dbraw/zinc/22/95/35/965229535.db2.gz IQGHPNGCISYOLR-ZDUSSCGKSA-N 0 2 407.495 3.909 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)NCc3cccc(OC(C)C)c3)cc2[nH]c1=S ZINC000057037797 965259612 /nfs/dbraw/zinc/25/96/12/965259612.db2.gz GJKKRRQGXRQTNI-UHFFFAOYSA-N 0 2 409.511 3.588 20 0 HHADLN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000057121430 965293512 /nfs/dbraw/zinc/29/35/12/965293512.db2.gz NEYVWIMQHRKRPM-LBPRGKRZSA-N 0 2 416.421 3.914 20 0 HHADLN COc1ccc(Br)cc1S(=O)(=O)Nc1cccc(Cl)c1OC ZINC000057123435 965295781 /nfs/dbraw/zinc/29/57/81/965295781.db2.gz WAWYJIDLXGTECO-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1[N+](=O)[O-] ZINC000057720016 965530146 /nfs/dbraw/zinc/53/01/46/965530146.db2.gz MDRKHKVAYYPISS-UHFFFAOYSA-N 0 2 405.457 3.836 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cc1NC(C)=O ZINC000057735390 965534853 /nfs/dbraw/zinc/53/48/53/965534853.db2.gz ARKDEVVDUVTKGF-UHFFFAOYSA-N 0 2 409.514 3.639 20 0 HHADLN CCNC(=S)Nc1ccc(F)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000057769833 965542357 /nfs/dbraw/zinc/54/23/57/965542357.db2.gz AERKPACTMCCGSZ-UHFFFAOYSA-N 0 2 421.441 3.952 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cn(C)nc2-c2ccccc2)cc1OCC ZINC000538011481 1013583852 /nfs/dbraw/zinc/58/38/52/1013583852.db2.gz QZHYXBNXPUSYJO-UHFFFAOYSA-N 0 2 401.488 3.685 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000057933153 965585364 /nfs/dbraw/zinc/58/53/64/965585364.db2.gz KTVGTZPJROCHBH-UHFFFAOYSA-N 0 2 415.540 3.511 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccccc1C(=O)c1cccs1 ZINC000030032113 965605157 /nfs/dbraw/zinc/60/51/57/965605157.db2.gz OJQQGNNSUSDZEA-UHFFFAOYSA-N 0 2 409.492 3.549 20 0 HHADLN COc1ccccc1-c1cc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)no1 ZINC000030034267 965606857 /nfs/dbraw/zinc/60/68/57/965606857.db2.gz KHKIZBDEKDVNTB-UHFFFAOYSA-N 0 2 411.483 3.755 20 0 HHADLN COc1ccc2c(C)cc3nnc(SCC(=O)NOCc4ccccc4)n3c2c1 ZINC000058152314 965639765 /nfs/dbraw/zinc/63/97/65/965639765.db2.gz GIUOKYNCFKZRJK-UHFFFAOYSA-N 0 2 408.483 3.540 20 0 HHADLN COc1ccccc1CC(=O)NNC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000055352815 965827991 /nfs/dbraw/zinc/82/79/91/965827991.db2.gz QBZDAPVKYPCNBM-UHFFFAOYSA-N 0 2 407.451 3.569 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc2ccccc2c1 ZINC000058704771 965853093 /nfs/dbraw/zinc/85/30/93/965853093.db2.gz AOFMSBVCQCJOET-UHFFFAOYSA-N 0 2 424.503 3.957 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](C[C@@H]3CCOC3)c3ccccc3)s[nH]2)c1 ZINC000542684705 1013605049 /nfs/dbraw/zinc/60/50/49/1013605049.db2.gz ALDNEIFDACOCBA-KXBFYZLASA-N 0 2 424.526 3.925 20 0 HHADLN O=C(c1cc(S(=O)(=O)Nc2ccccc2SC(F)(F)F)c[nH]1)N1CCCC1 ZINC000055596147 965951095 /nfs/dbraw/zinc/95/10/95/965951095.db2.gz YCTFZWZRLLXGAV-UHFFFAOYSA-N 0 2 419.450 3.663 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c(C(F)(F)F)c1 ZINC000055621367 965969474 /nfs/dbraw/zinc/96/94/74/965969474.db2.gz DBHRBORXMOCDCY-UHFFFAOYSA-N 0 2 418.368 3.539 20 0 HHADLN COCCOc1ccc(NS(=O)(=O)c2ccc(Br)s2)c(C)c1 ZINC000055643704 965987022 /nfs/dbraw/zinc/98/70/22/965987022.db2.gz UZGJZZFOPKBJNJ-UHFFFAOYSA-N 0 2 406.323 3.645 20 0 HHADLN O=C(COc1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1)Nc1ccccc1 ZINC000055644080 965987276 /nfs/dbraw/zinc/98/72/76/965987276.db2.gz VVFJDUYVADZMCN-UHFFFAOYSA-N 0 2 418.421 3.783 20 0 HHADLN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000055648249 965992351 /nfs/dbraw/zinc/99/23/51/965992351.db2.gz LQNJXSHOPISJCX-UHFFFAOYSA-N 0 2 400.422 3.823 20 0 HHADLN Cc1cccc(Oc2ncccc2NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1C ZINC000055686253 966016849 /nfs/dbraw/zinc/01/68/49/966016849.db2.gz LUBQEBWZQNALEE-UHFFFAOYSA-N 0 2 411.439 3.726 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCc4c3cccc4Cl)cc2[nH]c1=S ZINC000055712132 966028837 /nfs/dbraw/zinc/02/88/37/966028837.db2.gz GCZOZVSUQYENIX-QGZVFWFLSA-N 0 2 411.914 3.942 20 0 HHADLN CNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cn1C ZINC000031666365 966079285 /nfs/dbraw/zinc/07/92/85/966079285.db2.gz YJMAHCKZWJUOEL-UHFFFAOYSA-N 0 2 419.890 3.631 20 0 HHADLN CSc1nc2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3F)cc2s1 ZINC000032082265 966190099 /nfs/dbraw/zinc/19/00/99/966190099.db2.gz DYPFONYBEWIQLP-UHFFFAOYSA-N 0 2 411.505 3.917 20 0 HHADLN C[S@@](=O)C[C@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccccc1 ZINC000542726509 1013638480 /nfs/dbraw/zinc/63/84/80/1013638480.db2.gz BWJNBIJMBAAOLG-KUNJGFBQSA-N 0 2 420.947 3.522 20 0 HHADLN CN(C[C@H]1COc2ccccc2O1)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000542728018 1013640094 /nfs/dbraw/zinc/64/00/94/1013640094.db2.gz IINDVWVOZCDZNA-LBPRGKRZSA-N 0 2 416.890 3.584 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCc1cn2cc(Cl)ccc2n1 ZINC000542727415 1013640127 /nfs/dbraw/zinc/64/01/27/1013640127.db2.gz GIYYUFCLZCSHBC-UHFFFAOYSA-N 0 2 419.297 3.903 20 0 HHADLN COCCNc1ccccc1CNC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000542728450 1013640787 /nfs/dbraw/zinc/64/07/87/1013640787.db2.gz MJRHYDLMRBXFQO-UHFFFAOYSA-N 0 2 417.922 3.660 20 0 HHADLN C[C@@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc(NC(N)=O)cc1 ZINC000542729149 1013640973 /nfs/dbraw/zinc/64/09/73/1013640973.db2.gz NHUVJJGJPABVJX-SNVBAGLBSA-N 0 2 416.894 3.654 20 0 HHADLN Cc1ccc2c(c1)CC[C@H]2NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000056842209 966489517 /nfs/dbraw/zinc/48/95/17/966489517.db2.gz XBUNTNURPZDUFF-HXUWFJFHSA-N 0 2 405.454 3.799 20 0 HHADLN Cc1csc(C(C#N)C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)n1 ZINC000041515287 966584378 /nfs/dbraw/zinc/58/43/78/966584378.db2.gz KMPVSDMTVACPCD-ZDUSSCGKSA-N 0 2 402.526 3.570 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C2CCCC2)C(F)(F)F)cc1Cl ZINC000542756154 1013662638 /nfs/dbraw/zinc/66/26/38/1013662638.db2.gz NAYHIEOKUGLFJX-CQSZACIVSA-N 0 2 416.824 3.837 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C2CCCC2)C(F)(F)F)cc1Cl ZINC000542756150 1013662664 /nfs/dbraw/zinc/66/26/64/1013662664.db2.gz NAYHIEOKUGLFJX-AWEZNQCLSA-N 0 2 416.824 3.837 20 0 HHADLN Cc1ncc(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)s1 ZINC000063535959 966884412 /nfs/dbraw/zinc/88/44/12/966884412.db2.gz VIZSQBFUWOTGAQ-UHFFFAOYSA-N 0 2 401.875 3.759 20 0 HHADLN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000064476277 967202037 /nfs/dbraw/zinc/20/20/37/967202037.db2.gz PXOBFAAGHFODCQ-UHFFFAOYSA-N 0 2 416.430 3.909 20 0 HHADLN O=S(=O)(Nc1ccccc1NS(=O)(=O)c1ccccc1Cl)c1ccccc1 ZINC000064478088 967204237 /nfs/dbraw/zinc/20/42/37/967204237.db2.gz ITONXGGPBMPCEU-UHFFFAOYSA-N 0 2 422.915 3.942 20 0 HHADLN COc1ccc(CC/N=C2\NC(=O)C(CC(=O)Nc3ccccc3Cl)S2)cc1 ZINC000044827603 967297823 /nfs/dbraw/zinc/29/78/23/967297823.db2.gz GEUCFJBLCQEQNZ-QGZVFWFLSA-N 0 2 417.918 3.508 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)NCCCCOCc3ccccc3)cc2[nH]c1=S ZINC000065319941 967435427 /nfs/dbraw/zinc/43/54/27/967435427.db2.gz FATMWAZBSWWWMO-UHFFFAOYSA-N 0 2 423.538 3.598 20 0 HHADLN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(-c3ccc(F)cc3)o2)C1=O ZINC000045579720 967501984 /nfs/dbraw/zinc/50/19/84/967501984.db2.gz WZKFTPMNPPMZQR-HSZRJFAPSA-N 0 2 421.428 3.674 20 0 HHADLN Cc1nnc(NNC(=O)c2ccccc2Oc2ccc(Cl)cc2Cl)[nH]c1=O ZINC000065617369 967546145 /nfs/dbraw/zinc/54/61/45/967546145.db2.gz NRXYZYYZLAXJAR-UHFFFAOYSA-N 0 2 406.229 3.742 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1n[nH]c2ccc(Br)cc21 ZINC000553986766 1013739033 /nfs/dbraw/zinc/73/90/33/1013739033.db2.gz XNXNYRBEQITNSD-UHFFFAOYSA-N 0 2 406.290 3.580 20 0 HHADLN C[C@H]1CC[C@]2(CCN(C(=O)Nc3cccc(S(=O)(=O)Nc4nccs4)c3)C2)C1 ZINC000542899708 1013742912 /nfs/dbraw/zinc/74/29/12/1013742912.db2.gz ANTIOLWTRILRJS-LIRRHRJNSA-N 0 2 420.560 3.988 20 0 HHADLN COc1cc(NS(=O)(=O)c2ccc(C)s2)ccc1NC(=O)c1cccnc1 ZINC000047906249 968358006 /nfs/dbraw/zinc/35/80/06/968358006.db2.gz YQWQGTPUKGGMAS-UHFFFAOYSA-N 0 2 403.485 3.513 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c1 ZINC000538298358 1013833562 /nfs/dbraw/zinc/83/35/62/1013833562.db2.gz LFNHUDDVUSPKNQ-UHFFFAOYSA-N 0 2 416.430 3.593 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)c(Cl)c1 ZINC000072071339 968972333 /nfs/dbraw/zinc/97/23/33/968972333.db2.gz CZBRNHCKPSTZDM-UHFFFAOYSA-N 0 2 403.287 3.647 20 0 HHADLN COc1ccc(Br)cc1NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000083935151 969036903 /nfs/dbraw/zinc/03/69/03/969036903.db2.gz KDMMAOWYKJJSMY-UHFFFAOYSA-N 0 2 412.092 3.960 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NCCCO[C@H](C)c3ccccc3)cc2[nH]c1=S ZINC000103464505 969200219 /nfs/dbraw/zinc/20/02/19/969200219.db2.gz GRPHCXVPAAKIRR-OAHLLOKOSA-N 0 2 411.527 3.603 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cnc(-c2ccccc2F)s1 ZINC000109034176 969453331 /nfs/dbraw/zinc/45/33/31/969453331.db2.gz GKTQMBDJLOPDCJ-UHFFFAOYSA-N 0 2 400.460 3.519 20 0 HHADLN CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000109688223 969549067 /nfs/dbraw/zinc/54/90/67/969549067.db2.gz NISCYSDUZZKDSM-UHFFFAOYSA-N 0 2 402.303 3.718 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2OCc2cscn2)c1 ZINC000110024911 969611836 /nfs/dbraw/zinc/61/18/36/969611836.db2.gz CHYHDWFUKYUFAM-UHFFFAOYSA-N 0 2 406.485 3.540 20 0 HHADLN CCN(Cc1ccccc1NS(=O)(=O)c1ccc(Cl)nc1Cl)C(C)=O ZINC000110210421 969637398 /nfs/dbraw/zinc/63/73/98/969637398.db2.gz RSQPMERQZXIKQT-UHFFFAOYSA-N 0 2 402.303 3.558 20 0 HHADLN Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cc(-c3ccccc3Cl)on2)c1C ZINC000116924436 969929708 /nfs/dbraw/zinc/92/97/08/969929708.db2.gz JCRXTTDUPCZYDY-CQSZACIVSA-N 0 2 413.861 3.840 20 0 HHADLN Cc1ccc(SCC(=O)NNC(=O)c2cc(-c3ccccc3Cl)on2)cc1 ZINC000116924242 969929933 /nfs/dbraw/zinc/92/99/33/969929933.db2.gz SNRYZVJMPJYZFO-UHFFFAOYSA-N 0 2 401.875 3.857 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NCCc3csc4ccccc34)cc2[nH]c1=S ZINC000195683109 969953488 /nfs/dbraw/zinc/95/34/88/969953488.db2.gz WLIKKOGVGGNUCB-UHFFFAOYSA-N 0 2 409.536 3.892 20 0 HHADLN CCOC(=O)C=Cc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(CC)c3=O)cc1 ZINC000138745915 970010089 /nfs/dbraw/zinc/01/00/89/970010089.db2.gz IIXTZPXOGVNLDO-KPKJPENVSA-N 0 2 423.494 3.908 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N3C[C@@H](C)O[C@@H](c4ccccc4)C3)cc2[nH]c1=S ZINC000139802126 970046906 /nfs/dbraw/zinc/04/69/06/970046906.db2.gz AFBXNLHTURYYBO-AUUYWEPGSA-N 0 2 409.511 3.681 20 0 HHADLN O=S(=O)(Nc1ccc(F)nc1)c1cc(Br)ccc1Br ZINC000221724629 970099852 /nfs/dbraw/zinc/09/98/52/970099852.db2.gz ILQNMONGWSKSBN-UHFFFAOYSA-N 0 2 410.062 3.547 20 0 HHADLN COc1cc(Cl)ccc1S(=O)(=O)Nc1cnc(Cl)c(Br)c1 ZINC000232226358 970139243 /nfs/dbraw/zinc/13/92/43/970139243.db2.gz KOKDXSOUMGNBCJ-UHFFFAOYSA-N 0 2 412.092 3.960 20 0 HHADLN CC(C)[C@@H](C[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1)N1CCN(C)CC1 ZINC000236707172 970160382 /nfs/dbraw/zinc/16/03/82/970160382.db2.gz WIMMGKAAVZLRAG-HXUWFJFHSA-N 0 2 423.026 3.737 20 0 HHADLN O=C([O-])C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000238177997 970456172 /nfs/dbraw/zinc/45/61/72/970456172.db2.gz XHZBOZORRQDFRL-QGZVFWFLSA-N 0 2 419.359 3.717 20 0 HHADLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Br)ccc2O)ccc1Cl ZINC000317129223 972655421 /nfs/dbraw/zinc/65/54/21/972655421.db2.gz ADAJXEIINPCNIB-UHFFFAOYSA-N 0 2 407.629 3.517 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cc(Br)cnc2Cl)cc1OC ZINC000320820080 972683948 /nfs/dbraw/zinc/68/39/48/972683948.db2.gz PFOXOLPOZFIKDC-UHFFFAOYSA-N 0 2 421.700 3.706 20 0 HHADLN COc1cc(Br)cc(NS(=O)(=O)c2c(Cl)nc3ccccn32)c1 ZINC000322133784 972697949 /nfs/dbraw/zinc/69/79/49/972697949.db2.gz INRRGZZQOSBWMX-UHFFFAOYSA-N 0 2 416.684 3.560 20 0 HHADLN COCCOCc1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000326519763 972743500 /nfs/dbraw/zinc/74/35/00/972743500.db2.gz UNCKYIUPKCZPCT-UHFFFAOYSA-N 0 2 418.284 3.552 20 0 HHADLN CCOc1cc(NS(=O)(=O)c2cc(Br)cnc2Cl)ccc1OC ZINC000390350950 972822994 /nfs/dbraw/zinc/82/29/94/972822994.db2.gz JBCITLXYTSWIQG-UHFFFAOYSA-N 0 2 421.700 3.706 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)c(Br)c1 ZINC000391573215 972841790 /nfs/dbraw/zinc/84/17/90/972841790.db2.gz SHYLPFCRUPESMP-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN COC(=O)CCCc1csc(NS(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000391654067 972843068 /nfs/dbraw/zinc/84/30/68/972843068.db2.gz ARVCNXUOOANQHY-UHFFFAOYSA-N 0 2 409.316 3.746 20 0 HHADLN O=S(=O)(Nc1ccnc(Br)c1)c1ccc(Br)cc1F ZINC000392761916 972857237 /nfs/dbraw/zinc/85/72/37/972857237.db2.gz CPNPVIUTMYMPNV-UHFFFAOYSA-N 0 2 410.062 3.547 20 0 HHADLN O=C(CC(F)(F)F)Nc1ccc(NC(=O)c2nc[nH]c2C(=O)c2ccccc2)cc1 ZINC000554828856 1014063922 /nfs/dbraw/zinc/06/39/22/1014063922.db2.gz SLNAWBVZNNOBNM-UHFFFAOYSA-N 0 2 416.359 3.784 20 0 HHADLN O=C(CC(F)(F)F)Nc1ccc(NC(=O)c2[nH]cnc2C(=O)c2ccccc2)cc1 ZINC000554828856 1014063925 /nfs/dbraw/zinc/06/39/25/1014063925.db2.gz SLNAWBVZNNOBNM-UHFFFAOYSA-N 0 2 416.359 3.784 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)cc1OC ZINC000409494170 972945320 /nfs/dbraw/zinc/94/53/20/972945320.db2.gz ZQRLQNIKELWKEF-UHFFFAOYSA-N 0 2 404.513 3.860 20 0 HHADLN COC(=O)c1csc(S(=O)(=O)Nc2ncc(Cc3ccc(C)c(C)c3)s2)c1 ZINC000409501711 972953635 /nfs/dbraw/zinc/95/36/35/972953635.db2.gz MRBYMUFACGJRLE-UHFFFAOYSA-N 0 2 422.553 4.000 20 0 HHADLN C[C@@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)C(c1ccccc1)c1ccccc1 ZINC000554848076 1014073193 /nfs/dbraw/zinc/07/31/93/1014073193.db2.gz UZJVEAXXJCQHHN-OAHLLOKOSA-N 0 2 422.554 3.533 20 0 HHADLN C[C@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)C(c1ccccc1)c1ccccc1 ZINC000554848075 1014073335 /nfs/dbraw/zinc/07/33/35/1014073335.db2.gz UZJVEAXXJCQHHN-HNNXBMFYSA-N 0 2 422.554 3.533 20 0 HHADLN COc1ccc(CC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cc1 ZINC000409540935 972997369 /nfs/dbraw/zinc/99/73/69/972997369.db2.gz LHQGLJCQYMJMGG-UHFFFAOYSA-N 0 2 405.227 3.563 20 0 HHADLN CN(C)c1cccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c1 ZINC000409544414 973001770 /nfs/dbraw/zinc/00/17/70/973001770.db2.gz RRXQNKWUHJNBSN-UHFFFAOYSA-N 0 2 404.243 3.692 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cc1OC ZINC000409595414 973042371 /nfs/dbraw/zinc/04/23/71/973042371.db2.gz PPFKRSLISNSUGS-UHFFFAOYSA-N 0 2 421.906 3.711 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2F)cc1 ZINC000409596782 973044412 /nfs/dbraw/zinc/04/44/12/973044412.db2.gz AYTHNSLFQUBUSZ-UHFFFAOYSA-N 0 2 419.478 3.536 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3ccc(Cl)cc3)s2)c1 ZINC000409665754 973123566 /nfs/dbraw/zinc/12/35/66/973123566.db2.gz KZWWADZUUKSRQO-UHFFFAOYSA-N 0 2 422.915 3.975 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2nc(C3CC3)c(Cc3ccccc3F)s2)cn1 ZINC000409672482 973133468 /nfs/dbraw/zinc/13/34/68/973133468.db2.gz QLVYNPKNZDGOOJ-UHFFFAOYSA-N 0 2 406.508 3.768 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)c2cnn(-c3ncccc3Cl)c2C(F)F)s[nH]1 ZINC000409773264 973250931 /nfs/dbraw/zinc/25/09/31/973250931.db2.gz SQHUXWXQSYYSDT-UHFFFAOYSA-N 0 2 412.853 3.682 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000409847171 973315897 /nfs/dbraw/zinc/31/58/97/973315897.db2.gz DHRVPOLJHOGARE-DOMZBBRYSA-N 0 2 404.854 3.531 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000410329498 973897827 /nfs/dbraw/zinc/89/78/27/973897827.db2.gz SLHKPMCCROJVJI-UHFFFAOYSA-N 0 2 406.479 3.792 20 0 HHADLN O=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1cccc(Br)c1F ZINC000410366317 973960214 /nfs/dbraw/zinc/96/02/14/973960214.db2.gz PTXMUHKTTBUHNC-UHFFFAOYSA-N 0 2 424.251 3.971 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccccc2NC(C)(C)C)cn1 ZINC000410395782 973994246 /nfs/dbraw/zinc/99/42/46/973994246.db2.gz DXNKCLATQJPUGE-UHFFFAOYSA-N 0 2 400.504 3.892 20 0 HHADLN CC(C)(C)C(=O)c1ccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1 ZINC000425952652 974057960 /nfs/dbraw/zinc/05/79/60/974057960.db2.gz HWWRYXWRRRICDR-UHFFFAOYSA-N 0 2 404.463 3.740 20 0 HHADLN CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000425959476 974064407 /nfs/dbraw/zinc/06/44/07/974064407.db2.gz SGKYKBJYBYTFAH-UHFFFAOYSA-N 0 2 417.314 3.895 20 0 HHADLN CCOc1ccc(C(=O)N2CCCCC2)cc1NS(=O)(=O)c1cccc(F)c1 ZINC000426000755 974116116 /nfs/dbraw/zinc/11/61/16/974116116.db2.gz UJEJLFKUXZGFJX-UHFFFAOYSA-N 0 2 406.479 3.651 20 0 HHADLN CCCSc1nc(=NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)s[n-]1 ZINC000426133672 974254987 /nfs/dbraw/zinc/25/49/87/974254987.db2.gz MOYFIUBWZRGQPF-JKSUJKDBSA-N 0 2 414.560 3.709 20 0 HHADLN Cc1nc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)sc1C(=O)[O-] ZINC000426681289 974597247 /nfs/dbraw/zinc/59/72/47/974597247.db2.gz WTPZBJXNDORCSM-UHFFFAOYSA-N 0 2 407.236 3.803 20 0 HHADLN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2c(Cl)cccc2Cl)c(OC)c1OC ZINC000426752722 974635734 /nfs/dbraw/zinc/63/57/34/974635734.db2.gz BGKWIGUZXVJNOV-HNNXBMFYSA-N 0 2 400.258 3.935 20 0 HHADLN COc1ccccc1[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1ccco1 ZINC000426978556 974795029 /nfs/dbraw/zinc/79/50/29/974795029.db2.gz UAWOOXHYSRVYAM-HXUWFJFHSA-N 0 2 407.401 3.838 20 0 HHADLN Cc1nc(-c2ccc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3F)cc2)n[nH]1 ZINC000427204338 974976177 /nfs/dbraw/zinc/97/61/77/974976177.db2.gz MULFSPYEXDKPKM-UHFFFAOYSA-N 0 2 416.356 3.619 20 0 HHADLN C[C@@]1(CNC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)OCCc2sccc21 ZINC000427219417 974986154 /nfs/dbraw/zinc/98/61/54/974986154.db2.gz PMKUCIYXUDNNAO-IBGZPJMESA-N 0 2 403.891 3.511 20 0 HHADLN CC(C)(O)COc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1 ZINC000427284609 975024076 /nfs/dbraw/zinc/02/40/76/975024076.db2.gz OEXYHZHWSDEXGF-UHFFFAOYSA-N 0 2 423.384 3.675 20 0 HHADLN Cc1nc2ccc(S(=O)(=O)Nc3nc(-c4ccccc4Cl)ns3)cc2s1 ZINC000427752385 975268563 /nfs/dbraw/zinc/26/85/63/975268563.db2.gz BKGPEINEIPKRLL-UHFFFAOYSA-N 0 2 422.944 3.999 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nsc(-c3ccccc3)n2)c1 ZINC000427757423 975271588 /nfs/dbraw/zinc/27/15/88/975271588.db2.gz YRQRRXRYHVKSET-UHFFFAOYSA-N 0 2 423.903 3.836 20 0 HHADLN CC(C)(O)C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000427779822 975283807 /nfs/dbraw/zinc/28/38/07/975283807.db2.gz MOCCPHUSTBPPOM-UHFFFAOYSA-N 0 2 403.287 3.504 20 0 HHADLN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)C1 ZINC000428200333 975525399 /nfs/dbraw/zinc/52/53/99/975525399.db2.gz PRUSTZCFWLDDCP-QADWPORPSA-N 0 2 403.548 3.511 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1noc(-c2ccccc2Cl)n1 ZINC000430062205 977303870 /nfs/dbraw/zinc/30/38/70/977303870.db2.gz AAVVGZMBDFDDQP-UHFFFAOYSA-N 0 2 409.899 3.660 20 0 HHADLN CC(C)c1ccc2c(c1)[C@H](NC(=O)NCc1nnc(COc3ccccc3)[nH]1)CC2 ZINC000430191046 977381639 /nfs/dbraw/zinc/38/16/39/977381639.db2.gz ZKTZURCOQOAHMF-HXUWFJFHSA-N 0 2 405.502 3.994 20 0 HHADLN CC(C)c1ccc2c(c1)[C@@H](NC(=O)NCc1nnc(COc3ccccc3)[nH]1)CC2 ZINC000430191045 977381699 /nfs/dbraw/zinc/38/16/99/977381699.db2.gz ZKTZURCOQOAHMF-FQEVSTJZSA-N 0 2 405.502 3.994 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)ccc1F ZINC000430351114 977495969 /nfs/dbraw/zinc/49/59/69/977495969.db2.gz AUGRHNZFRSDMAS-UHFFFAOYSA-N 0 2 413.474 3.602 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ccccc3-c3ncc4n3CCCC4)cc12 ZINC000430370139 977507179 /nfs/dbraw/zinc/50/71/79/977507179.db2.gz RPCFTMSOCOSUTO-UHFFFAOYSA-N 0 2 423.498 3.786 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)[N-]c3ccccc3-c3[nH+]cc4n3CCCC4)cc12 ZINC000430370139 977507180 /nfs/dbraw/zinc/50/71/80/977507180.db2.gz RPCFTMSOCOSUTO-UHFFFAOYSA-N 0 2 423.498 3.786 20 0 HHADLN COc1ccc(CNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)cn1 ZINC000430417512 977532964 /nfs/dbraw/zinc/53/29/64/977532964.db2.gz UYYKXAFKQLSVNX-UHFFFAOYSA-N 0 2 401.422 3.654 20 0 HHADLN Cn1ncc2c1CCC[C@@H]2NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430441596 977552252 /nfs/dbraw/zinc/55/22/52/977552252.db2.gz VFKDACWUPJXSID-NRFANRHFSA-N 0 2 414.465 3.861 20 0 HHADLN Cn1cc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c2ccccc2c1=O ZINC000430566098 977634408 /nfs/dbraw/zinc/63/44/08/977634408.db2.gz BLLXTNATGZMQAM-UHFFFAOYSA-N 0 2 414.252 3.883 20 0 HHADLN CCOC(=O)C[C@H](C)N(C)C(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430583365 977644681 /nfs/dbraw/zinc/64/46/81/977644681.db2.gz RNAGYQLDSCFJRM-HNNXBMFYSA-N 0 2 408.454 3.734 20 0 HHADLN COC(=O)[C@H]1CCN(C(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)C[C@@H]1C ZINC000430627548 977659951 /nfs/dbraw/zinc/65/99/51/977659951.db2.gz MGGFBGJDGYPQEE-YJBOKZPZSA-N 0 2 420.465 3.592 20 0 HHADLN CC1(C)[C@H](NC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)[C@H]2CCO[C@H]21 ZINC000430663467 977675232 /nfs/dbraw/zinc/67/52/32/977675232.db2.gz JRTXLQLBTHAXOO-NPFVIJTESA-N 0 2 404.466 3.864 20 0 HHADLN Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)s1 ZINC000431172239 978072422 /nfs/dbraw/zinc/07/24/22/978072422.db2.gz VZOYWVMCZVNMFC-UHFFFAOYSA-N 0 2 413.524 3.764 20 0 HHADLN COCc1cccc(S(=O)(=O)Nc2nnc(SCc3cccs3)s2)c1 ZINC000431307307 978192412 /nfs/dbraw/zinc/19/24/12/978192412.db2.gz FWYXPARVCTVCND-UHFFFAOYSA-N 0 2 413.571 3.839 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)cc1 ZINC000431322800 978207606 /nfs/dbraw/zinc/20/76/06/978207606.db2.gz KCJUUUFOOGQFQV-UHFFFAOYSA-N 0 2 416.528 3.971 20 0 HHADLN Cc1cc(C)cc(-c2nnc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)s2)c1 ZINC000431323830 978208540 /nfs/dbraw/zinc/20/85/40/978208540.db2.gz QHKMZLXPHCTFOX-UHFFFAOYSA-N 0 2 417.512 3.784 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)cc1C ZINC000431325134 978210161 /nfs/dbraw/zinc/21/01/61/978210161.db2.gz ZNSUFCQIPQNETD-UHFFFAOYSA-N 0 2 417.512 3.718 20 0 HHADLN CCSc1nnc(NS(=O)(=O)c2cc(Br)c(C)cc2OC)s1 ZINC000431332705 978217191 /nfs/dbraw/zinc/21/71/91/978217191.db2.gz LBBXXNBHZUFLAM-UHFFFAOYSA-N 0 2 424.367 3.530 20 0 HHADLN O=S(=O)(Nc1nnc(SCc2ccccc2)s1)c1ccc2c(c1)CCO2 ZINC000431342384 978224008 /nfs/dbraw/zinc/22/40/08/978224008.db2.gz SZRSPTLANUTBBC-UHFFFAOYSA-N 0 2 405.526 3.566 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000431413104 978284020 /nfs/dbraw/zinc/28/40/20/978284020.db2.gz IYZRJMPUTMSRQC-LJQANCHMSA-N 0 2 408.527 3.883 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccsc2C(=O)OC)cnn1-c1ccc(C)cc1 ZINC000431904822 978590036 /nfs/dbraw/zinc/59/00/36/978590036.db2.gz YPNHRYPSLDQXLD-UHFFFAOYSA-N 0 2 419.528 3.782 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(COC)cc2)cnn1-c1ccc(F)cc1 ZINC000432083600 978673651 /nfs/dbraw/zinc/67/36/51/978673651.db2.gz XXFOEGPDAFKTJC-UHFFFAOYSA-N 0 2 403.479 3.911 20 0 HHADLN CCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 ZINC000432154461 978695317 /nfs/dbraw/zinc/69/53/17/978695317.db2.gz HQHPHZWZGOLGEX-UHFFFAOYSA-N 0 2 410.499 3.709 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3ncc(-c4ccc(F)cc4)s3)c(F)cc2N1 ZINC000432348500 978771195 /nfs/dbraw/zinc/77/11/95/978771195.db2.gz SXXZPTFKKBZKMV-UHFFFAOYSA-N 0 2 421.450 3.774 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)sc1C1CC1 ZINC000432362661 978778241 /nfs/dbraw/zinc/77/82/41/978778241.db2.gz NXANPMPSEPYCQN-UHFFFAOYSA-N 0 2 420.434 3.713 20 0 HHADLN CCOC(=O)Cc1csc(NS(=O)(=O)c2csc3ccc(Cl)cc23)n1 ZINC000432365058 978779756 /nfs/dbraw/zinc/77/97/56/978779756.db2.gz POLMINLOCBAQFV-UHFFFAOYSA-N 0 2 416.933 3.918 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N(CCc1ccccn1)Cc1cccnc1 ZINC000432418646 978803296 /nfs/dbraw/zinc/80/32/96/978803296.db2.gz UFIDBCXQKQBNEI-UHFFFAOYSA-N 0 2 422.539 3.755 20 0 HHADLN O=S(=O)(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cnn(-c2ccccc2)c1 ZINC000432452952 978820260 /nfs/dbraw/zinc/82/02/60/978820260.db2.gz GETLQIJUOQYJTN-UHFFFAOYSA-N 0 2 407.455 3.601 20 0 HHADLN CC(C)Oc1cc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)ccc1C(N)=O ZINC000432468853 978829915 /nfs/dbraw/zinc/82/99/15/978829915.db2.gz ASYXYRCHOKDBNR-UHFFFAOYSA-N 0 2 421.277 3.819 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)cn1 ZINC000432530234 978868090 /nfs/dbraw/zinc/86/80/90/978868090.db2.gz HWLGHFKAJNTBGI-MRXNPFEDSA-N 0 2 416.528 3.601 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2noc(Cc3ccccc3)n2)c1Br ZINC000432955704 979022990 /nfs/dbraw/zinc/02/29/90/979022990.db2.gz OSXBSEYJISFPFM-UHFFFAOYSA-N 0 2 408.277 3.532 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(CCc3ccccc3)o2)cc1Cl ZINC000432956831 979023353 /nfs/dbraw/zinc/02/33/53/979023353.db2.gz WHLQKSMHYDMPQH-UHFFFAOYSA-N 0 2 407.879 3.626 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(-c3cccc(N(C)C)c3)o2)cc1Cl ZINC000432961036 979025485 /nfs/dbraw/zinc/02/54/85/979025485.db2.gz QTMPBRQIUYERGA-UHFFFAOYSA-N 0 2 422.894 3.574 20 0 HHADLN CC(C)n1nc(-c2ccco2)cc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000433116907 979081005 /nfs/dbraw/zinc/08/10/05/979081005.db2.gz NHMJWVVKPFKYKF-UHFFFAOYSA-N 0 2 403.460 3.686 20 0 HHADLN CCc1ccc(O)c(NS(=O)(=O)c2cc(Br)c(OC)cc2OC)c1 ZINC000433500349 979339534 /nfs/dbraw/zinc/33/95/34/979339534.db2.gz WLZMJQCGSJUTJJ-UHFFFAOYSA-N 0 2 416.293 3.535 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NC[C@H]3CCCN(c4ccccc4)C3)s[nH]2)c1 ZINC000433586559 979405758 /nfs/dbraw/zinc/40/57/58/979405758.db2.gz UFODOYGDAKMYFV-MRXNPFEDSA-N 0 2 423.542 3.674 20 0 HHADLN COC(=O)COc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1Cl ZINC000433618029 979429266 /nfs/dbraw/zinc/42/92/66/979429266.db2.gz QEBJFTBOACMDIG-UHFFFAOYSA-N 0 2 424.689 3.999 20 0 HHADLN CN(Cc1cc(Cl)ccc1F)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000434332488 980095986 /nfs/dbraw/zinc/09/59/86/980095986.db2.gz GTXLICKDXSRXDE-UHFFFAOYSA-N 0 2 403.845 3.518 20 0 HHADLN CC[C@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434685097 980338178 /nfs/dbraw/zinc/33/81/78/980338178.db2.gz MLIGRLHEQBDNHH-FQEVSTJZSA-N 0 2 412.603 3.996 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cccc(C)c2Br)c(OC)c1OC ZINC000435131245 980662118 /nfs/dbraw/zinc/66/21/18/980662118.db2.gz CFSPUQKOEOGUKR-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2cnc(-c3cccc(O)c3)nc2)c1Br ZINC000435137511 980668906 /nfs/dbraw/zinc/66/89/06/980668906.db2.gz DULQGYZCIDPELP-UHFFFAOYSA-N 0 2 420.288 3.721 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000435138278 980669617 /nfs/dbraw/zinc/66/96/17/980669617.db2.gz RBPMRSJLMXQOAX-UHFFFAOYSA-N 0 2 406.510 3.882 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1C(=O)N(C)C ZINC000435500909 980905484 /nfs/dbraw/zinc/90/54/84/980905484.db2.gz NEARGUVZVMKQQK-UHFFFAOYSA-N 0 2 405.278 3.944 20 0 HHADLN O=C(Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)n[nH]1 ZINC000435644648 980972709 /nfs/dbraw/zinc/97/27/09/980972709.db2.gz CWXHJQWPMBENNZ-HXUWFJFHSA-N 0 2 412.497 3.973 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)nc1C ZINC000435719660 981001335 /nfs/dbraw/zinc/00/13/35/981001335.db2.gz OXMAKZCBLNAVAV-UHFFFAOYSA-N 0 2 413.279 3.875 20 0 HHADLN COc1cc(C)c(NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)cc1C ZINC000435720508 981001846 /nfs/dbraw/zinc/00/18/46/981001846.db2.gz CEUZYLOZHPHXPS-UHFFFAOYSA-N 0 2 424.588 3.879 20 0 HHADLN Cc1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)n(Cc2ccccn2)n1 ZINC000435721747 981002362 /nfs/dbraw/zinc/00/23/62/981002362.db2.gz JXQSJGAYQMTPCO-UHFFFAOYSA-N 0 2 415.277 3.882 20 0 HHADLN COc1ccc(-c2ncc(C(=O)N=c3nc(C(C)(C)C)[nH]s3)s2)cc1OC ZINC000435729195 981005832 /nfs/dbraw/zinc/00/58/32/981005832.db2.gz TVYYUWUPCOOMTI-UHFFFAOYSA-N 0 2 404.517 3.651 20 0 HHADLN CCCCn1ncc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1C ZINC000435986156 981132874 /nfs/dbraw/zinc/13/28/74/981132874.db2.gz YXTRZGYBXUTWJX-UHFFFAOYSA-N 0 2 419.532 3.501 20 0 HHADLN CNC(=O)c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)ccc1Cl ZINC000436004977 981147933 /nfs/dbraw/zinc/14/79/33/981147933.db2.gz PTVPPBGCKYZDQN-UHFFFAOYSA-N 0 2 410.776 3.658 20 0 HHADLN Cc1nc(-c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)cc2)n[nH]1 ZINC000436016590 981157452 /nfs/dbraw/zinc/15/74/52/981157452.db2.gz LMORJTHYSBYBGV-UHFFFAOYSA-N 0 2 400.357 3.739 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)c(C(F)(F)F)c1 ZINC000436017534 981158268 /nfs/dbraw/zinc/15/82/68/981158268.db2.gz AKOLXWUMTXQBBT-UHFFFAOYSA-N 0 2 409.389 3.972 20 0 HHADLN Cn1ncc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c1C(F)(F)F ZINC000436150199 981222313 /nfs/dbraw/zinc/22/23/13/981222313.db2.gz JKEUGSLZTYVNLY-UHFFFAOYSA-N 0 2 407.723 3.912 20 0 HHADLN COc1ccc(CN(C)C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)c(OC)c1 ZINC000436278206 981281394 /nfs/dbraw/zinc/28/13/94/981281394.db2.gz BFDOBTRCSFSCOL-UHFFFAOYSA-N 0 2 401.850 3.521 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(-c2nc(-c3ccco3)no2)c1 ZINC000436510693 981409540 /nfs/dbraw/zinc/40/95/40/981409540.db2.gz FAUGIFCKMQRUCJ-UHFFFAOYSA-N 0 2 413.411 3.512 20 0 HHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000436526600 981419199 /nfs/dbraw/zinc/41/91/99/981419199.db2.gz ANOIGOADOLNABX-UHFFFAOYSA-N 0 2 415.465 3.752 20 0 HHADLN O=S(=O)(c1ccc(O)c(-c2nc(-c3cccc(Cl)c3F)no2)c1)N1CCCC1 ZINC000436567093 981449301 /nfs/dbraw/zinc/44/93/01/981449301.db2.gz XSTYCOQITFXACM-UHFFFAOYSA-N 0 2 423.853 3.686 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccc(Cl)cc1O ZINC000436575801 981454777 /nfs/dbraw/zinc/45/47/77/981454777.db2.gz PECQSSKAIILGIL-UHFFFAOYSA-N 0 2 409.876 3.555 20 0 HHADLN Cc1ncccc1NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000436582562 981459217 /nfs/dbraw/zinc/45/92/17/981459217.db2.gz DULNKMAZKXEHTN-UHFFFAOYSA-N 0 2 417.874 3.802 20 0 HHADLN COCCN(Cc1sccc1Br)C(=O)c1cc(F)c(O)c(F)c1 ZINC000436604971 981470200 /nfs/dbraw/zinc/47/02/00/981470200.db2.gz OMMMONAGOYHQOE-UHFFFAOYSA-N 0 2 406.248 3.783 20 0 HHADLN O=C(Nc1ccc2nc(N3CCOCC3)oc2c1)c1c(O)cc(Cl)cc1Cl ZINC000436608343 981471779 /nfs/dbraw/zinc/47/17/79/981471779.db2.gz UHTFSTJTKLKKOX-UHFFFAOYSA-N 0 2 408.241 3.929 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CC[C@H](n2cc(Cl)cn2)C1 ZINC000436623461 981480283 /nfs/dbraw/zinc/48/02/83/981480283.db2.gz ZLMJVHZFTHEHGK-JTQLQIEISA-N 0 2 405.079 3.745 20 0 HHADLN O=C(c1cccc(C(=O)N2Cc3ccccc3CO2)c1O)N1Cc2ccccc2CO1 ZINC000436732110 981536903 /nfs/dbraw/zinc/53/69/03/981536903.db2.gz OPKGCCZCVZRFKP-UHFFFAOYSA-N 0 2 416.433 3.567 20 0 HHADLN CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)c1cc(F)cc(Cl)c1O ZINC000436750048 981544599 /nfs/dbraw/zinc/54/45/99/981544599.db2.gz LWSBUTWPIMYNHD-UHFFFAOYSA-N 0 2 403.740 3.787 20 0 HHADLN O=C(NCc1ccco1)c1cccc(CNC(=O)c2cc(F)cc(Cl)c2O)c1 ZINC000436772377 981555582 /nfs/dbraw/zinc/55/55/82/981555582.db2.gz LEBQWZUFQHGFKW-UHFFFAOYSA-N 0 2 402.809 3.638 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000436780215 981558018 /nfs/dbraw/zinc/55/80/18/981558018.db2.gz ZWIIWEGFVXDTMO-AWEZNQCLSA-N 0 2 410.695 3.892 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000436841675 981585711 /nfs/dbraw/zinc/58/57/11/981585711.db2.gz WGTZSMORIWARSL-HNNXBMFYSA-N 0 2 401.768 4.000 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000436846298 981587331 /nfs/dbraw/zinc/58/73/31/981587331.db2.gz BVWWUDGPZIAMMN-DAXSKMNVSA-N 0 2 419.294 3.765 20 0 HHADLN Cc1nc(C)n(Cc2cccc(NC(=O)c3cc(F)cc(Br)c3O)c2)n1 ZINC000436847613 981588321 /nfs/dbraw/zinc/58/83/21/981588321.db2.gz FUPAFYLJXGCUKT-UHFFFAOYSA-N 0 2 419.254 3.803 20 0 HHADLN CC(C)NC(=O)Cc1ccc(NC(=O)c2cc(F)cc(Br)c2O)cc1 ZINC000436849370 981588827 /nfs/dbraw/zinc/58/88/27/981588827.db2.gz SHXQDQDQXNYODM-UHFFFAOYSA-N 0 2 409.255 3.613 20 0 HHADLN COCCOc1cc(NC(=O)c2cc(F)cc(Br)c2O)ccc1OC ZINC000436848286 981588902 /nfs/dbraw/zinc/58/89/02/981588902.db2.gz OBRJUUPELRQSOD-UHFFFAOYSA-N 0 2 414.227 3.580 20 0 HHADLN COc1ccccc1N1CC[C@@H](CNC(=O)c2cc(F)cc(Br)c2O)C1 ZINC000436853255 981591982 /nfs/dbraw/zinc/59/19/82/981591982.db2.gz BKYBQKOZPQOIHD-LBPRGKRZSA-N 0 2 423.282 3.559 20 0 HHADLN CC(C)(CO)[C@H](CNC(=O)c1cc(F)cc(Br)c1O)c1ccccc1 ZINC000436865393 981596677 /nfs/dbraw/zinc/59/66/77/981596677.db2.gz SUUQVZGRKLIUAE-OAHLLOKOSA-N 0 2 410.283 3.826 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000436888467 981602257 /nfs/dbraw/zinc/60/22/57/981602257.db2.gz SJAYWYUEIFXCTM-CQSZACIVSA-N 0 2 409.255 3.510 20 0 HHADLN O=S(=O)(c1ccc(O)c(-c2nc(-c3cccc(Cl)c3)no2)c1)N1CCCC1 ZINC000436889235 981602511 /nfs/dbraw/zinc/60/25/11/981602511.db2.gz VMHFPVCFZNILPW-UHFFFAOYSA-N 0 2 405.863 3.547 20 0 HHADLN O=C(N[C@H](CO)Cc1c[nH]c2ccccc12)c1cc(Cl)cc(Br)c1O ZINC000436897741 981605567 /nfs/dbraw/zinc/60/55/67/981605567.db2.gz CBMHXHPGBPCTBF-LBPRGKRZSA-N 0 2 423.694 3.623 20 0 HHADLN O=C(N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cc(Cl)cc(Br)c1O ZINC000436897739 981605726 /nfs/dbraw/zinc/60/57/26/981605726.db2.gz CBMHXHPGBPCTBF-GFCCVEGCSA-N 0 2 423.694 3.623 20 0 HHADLN O=c1[nH]c(C=Cc2cc(Br)c(O)c(Br)c2)nc2cnccc12 ZINC000436935851 981633114 /nfs/dbraw/zinc/63/31/14/981633114.db2.gz RBJNZIMSQRWWRN-UPHRSURJSA-N 0 2 423.064 3.719 20 0 HHADLN O=C(N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1cc(F)c(O)c(F)c1 ZINC000436962763 981650392 /nfs/dbraw/zinc/65/03/92/981650392.db2.gz BDOWEGXDLWLSEF-IBGZPJMESA-N 0 2 409.392 3.966 20 0 HHADLN O=C(N[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cc(F)c(O)c(F)c1 ZINC000436969676 981655373 /nfs/dbraw/zinc/65/53/73/981655373.db2.gz ZTFUFSXVOCYBFE-CQSZACIVSA-N 0 2 401.196 3.513 20 0 HHADLN O=C(Nc1ccccc1C(=O)N1CCCC1)c1cc(F)cc(Br)c1O ZINC000436984731 981667353 /nfs/dbraw/zinc/66/73/53/981667353.db2.gz MZNBJECYVBPDRK-UHFFFAOYSA-N 0 2 407.239 3.782 20 0 HHADLN COc1ccccc1-c1nc(C2CCN(C(=O)c3cc(F)c(O)c(F)c3)CC2)no1 ZINC000436995470 981674372 /nfs/dbraw/zinc/67/43/72/981674372.db2.gz IGMXZNMJJGEXNW-UHFFFAOYSA-N 0 2 415.396 3.749 20 0 HHADLN CCCCc1nnc(NS(=O)(=O)c2ccccc2C(=O)N(C)CCCC)s1 ZINC000437172859 981828030 /nfs/dbraw/zinc/82/80/30/981828030.db2.gz UIAPYJMXLODORO-UHFFFAOYSA-N 0 2 410.565 3.554 20 0 HHADLN C[C@H]1Cc2cc(S(=O)(=O)Nc3nnc(Cc4cccc(Cl)c4)s3)ccc2O1 ZINC000437173736 981828847 /nfs/dbraw/zinc/82/88/47/981828847.db2.gz UWIXJCFBVOYPHA-NSHDSACASA-N 0 2 421.931 3.907 20 0 HHADLN CCCCCc1nnc(NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)s1 ZINC000437175171 981831032 /nfs/dbraw/zinc/83/10/32/981831032.db2.gz DVGFEVBATZPHDB-UHFFFAOYSA-N 0 2 403.913 3.512 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N(CCO)[C@H]1CCCc2ccccc21 ZINC000460130491 981904852 /nfs/dbraw/zinc/90/48/52/981904852.db2.gz MKIZMUVBPPSXPH-INIZCTEOSA-N 0 2 400.529 3.592 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CC[C@H](COCc2ccccc2)C1 ZINC000460137664 981911753 /nfs/dbraw/zinc/91/17/53/981911753.db2.gz ZNCSSMFYKJGHHG-HNNXBMFYSA-N 0 2 400.529 3.759 20 0 HHADLN CC[C@H]1CCc2nc(NS(=O)(=O)c3cnn(-c4ccccc4OC)c3)sc2C1 ZINC000437307631 981959324 /nfs/dbraw/zinc/95/93/24/981959324.db2.gz QNBKSMLQZYINID-ZDUSSCGKSA-N 0 2 418.544 3.653 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ncc(-c3ccccc3)s2)cn1 ZINC000437317128 981968716 /nfs/dbraw/zinc/96/87/16/981968716.db2.gz YVDMRZRJUAEZSE-UHFFFAOYSA-N 0 2 412.496 3.805 20 0 HHADLN C[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(Br)c(F)c3)sc2C1 ZINC000437317115 981968913 /nfs/dbraw/zinc/96/89/13/981968913.db2.gz YROPYWGTNMKIBR-MRVPVSSYSA-N 0 2 405.314 3.970 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)Nc2cccnc2)c(Br)c1 ZINC000437396024 982040210 /nfs/dbraw/zinc/04/02/10/982040210.db2.gz WHZAJMKBEKMUSI-UHFFFAOYSA-N 0 2 406.099 3.716 20 0 HHADLN CCN(CC)c1ccc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cn1 ZINC000437397514 982042464 /nfs/dbraw/zinc/04/24/64/982042464.db2.gz SGSLKXQKSILLCH-UHFFFAOYSA-N 0 2 419.938 3.876 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)cc1C ZINC000437400942 982044978 /nfs/dbraw/zinc/04/49/78/982044978.db2.gz RUEGTKSQYHFDOP-UHFFFAOYSA-N 0 2 424.478 3.579 20 0 HHADLN COc1cc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc(OC)c1 ZINC000460421844 982209773 /nfs/dbraw/zinc/20/97/73/982209773.db2.gz FJNLJALWSKPVKM-UHFFFAOYSA-N 0 2 407.879 3.652 20 0 HHADLN O=S(=O)(Nc1cccc(OCc2ccccn2)c1)c1cnn(-c2ccccc2F)c1 ZINC000460458207 982251512 /nfs/dbraw/zinc/25/15/12/982251512.db2.gz KGSWPUMHCYQDNS-UHFFFAOYSA-N 0 2 424.457 3.786 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cccnc1-c1csc(C)c1 ZINC000437661210 982277387 /nfs/dbraw/zinc/27/73/87/982277387.db2.gz IKTAJJHPBSWYDR-UHFFFAOYSA-N 0 2 417.512 3.886 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cccc(C)c2F)nc1C(F)(F)F ZINC000460522960 982310742 /nfs/dbraw/zinc/31/07/42/982310742.db2.gz FZCCKUSAULAXPO-UHFFFAOYSA-N 0 2 412.386 3.587 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)c(F)c2)o1)c1cccc(C(F)(F)F)c1 ZINC000460546674 982333308 /nfs/dbraw/zinc/33/33/08/982333308.db2.gz VRFWNYQFUVUYHK-UHFFFAOYSA-N 0 2 405.304 3.834 20 0 HHADLN O=C(c1cc(F)cc(F)c1)c1cccnc1NS(=O)(=O)Cc1c(F)cccc1F ZINC000460627622 982403818 /nfs/dbraw/zinc/40/38/18/982403818.db2.gz QOFCWBMYTFDRFX-UHFFFAOYSA-N 0 2 424.375 3.811 20 0 HHADLN CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC1 ZINC000437985696 982506794 /nfs/dbraw/zinc/50/67/94/982506794.db2.gz MHFSAKNJJNAGSS-INIZCTEOSA-N 0 2 423.533 3.837 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2ccc3scnc3c2)cn1 ZINC000460821296 982572877 /nfs/dbraw/zinc/57/28/77/982572877.db2.gz VASJSONBQNMTAR-UHFFFAOYSA-N 0 2 420.903 3.945 20 0 HHADLN CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)CCOc1ccc(OC)cc1 ZINC000460827931 982578789 /nfs/dbraw/zinc/57/87/89/982578789.db2.gz HGKHKQGWHNFUER-UHFFFAOYSA-N 0 2 419.421 3.933 20 0 HHADLN COc1cccc(Cn2nccc2NS(=O)(=O)c2cccc(C(C)C)c2)c1OC ZINC000460829304 982580058 /nfs/dbraw/zinc/58/00/58/982580058.db2.gz FFFKNRFOPRHGMA-UHFFFAOYSA-N 0 2 415.515 3.873 20 0 HHADLN CCOc1cccc(NS(=O)(=O)c2cnn(-c3cc(Cl)ccc3OC)c2)c1 ZINC000460836559 982586523 /nfs/dbraw/zinc/58/65/23/982586523.db2.gz BUEDIZSEGVOJMO-UHFFFAOYSA-N 0 2 407.879 3.734 20 0 HHADLN CCOCc1cccc(NS(=O)(=O)c2cnn(-c3cc(Cl)ccc3OC)c2)c1 ZINC000460840584 982588975 /nfs/dbraw/zinc/58/89/75/982588975.db2.gz QKNFZVMIFSUZLZ-UHFFFAOYSA-N 0 2 421.906 3.872 20 0 HHADLN O=S(=O)(CCc1ccccc1Br)Nc1ncc(-c2cccnc2)s1 ZINC000461114381 982805351 /nfs/dbraw/zinc/80/53/51/982805351.db2.gz QDJUGSZVBZNJGV-UHFFFAOYSA-N 0 2 424.345 3.952 20 0 HHADLN Cc1ccc(NC(=O)N(C)C)cc1NC(=O)c1cc(F)cc(Br)c1O ZINC000438515840 982854382 /nfs/dbraw/zinc/85/43/82/982854382.db2.gz VFILPHRPOJJEFX-UHFFFAOYSA-N 0 2 410.243 3.948 20 0 HHADLN CCOCc1ccc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)cc1 ZINC000438734973 983032290 /nfs/dbraw/zinc/03/22/90/983032290.db2.gz YTWCOHROALXNGI-UHFFFAOYSA-N 0 2 400.859 3.775 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc2c(c1)CN(CC(F)F)C2 ZINC000438984777 983195785 /nfs/dbraw/zinc/19/57/85/983195785.db2.gz LVBLLCLMKDXQBF-UHFFFAOYSA-N 0 2 412.506 3.537 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCc3c(cnn3-c3ccccc3)C2)=N1 ZINC000438986608 983195813 /nfs/dbraw/zinc/19/58/13/983195813.db2.gz MXKXUMMDGXCMMW-UHFFFAOYSA-N 0 2 413.481 3.525 20 0 HHADLN COCCn1cc(S(=O)(=O)Nc2c(C)cc(Br)c3ccccc32)cn1 ZINC000439039013 983223024 /nfs/dbraw/zinc/22/30/24/983223024.db2.gz BBGWUGVFWCSQKR-UHFFFAOYSA-N 0 2 424.320 3.554 20 0 HHADLN COCCn1cc(S(=O)(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)cn1 ZINC000439041083 983224295 /nfs/dbraw/zinc/22/42/95/983224295.db2.gz GSWRFBAREJBDES-UHFFFAOYSA-N 0 2 401.488 3.739 20 0 HHADLN COc1c(Br)c(C)sc1C(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000439071475 983236785 /nfs/dbraw/zinc/23/67/85/983236785.db2.gz ZCFGFVIOZQIFHS-UHFFFAOYSA-N 0 2 423.292 3.874 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)=N1 ZINC000439104772 983251438 /nfs/dbraw/zinc/25/14/38/983251438.db2.gz AVYNTLLJCWTYGP-BTYIYWSLSA-N 0 2 409.461 3.882 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)=N1 ZINC000439123490 983261012 /nfs/dbraw/zinc/26/10/12/983261012.db2.gz KAPHQOIFGRRXIN-HNNXBMFYSA-N 0 2 417.469 3.605 20 0 HHADLN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000439134312 983266851 /nfs/dbraw/zinc/26/68/51/983266851.db2.gz ANJYPPZHDZWEGC-SECBINFHSA-N 0 2 404.688 3.612 20 0 HHADLN CN(Cc1ccc([S@](C)=O)cc1)C(=O)c1cc(Cl)cc(Br)c1O ZINC000439156953 983280007 /nfs/dbraw/zinc/28/00/07/983280007.db2.gz SMHKESNFYRBLCI-QHCPKHFHSA-N 0 2 416.724 3.818 20 0 HHADLN C[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439244823 983328986 /nfs/dbraw/zinc/32/89/86/983328986.db2.gz HODOYIXCSMJLHU-SNVBAGLBSA-N 0 2 405.227 3.779 20 0 HHADLN COc1ccc(OC)c(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c1 ZINC000439248843 983331046 /nfs/dbraw/zinc/33/10/46/983331046.db2.gz RGYDXLHZSQFNQL-UHFFFAOYSA-N 0 2 421.226 3.643 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cnc3ccsc3c2)c(OC[C@@H]2CCCO2)c1 ZINC000439566728 983453154 /nfs/dbraw/zinc/45/31/54/983453154.db2.gz FVMOJDWEBXQYLY-AWEZNQCLSA-N 0 2 404.513 3.963 20 0 HHADLN CC1(C)Cc2cc(S(=O)(=O)Nc3nnc(Cc4cccc(F)c4)s3)ccc2O1 ZINC000439877664 983566011 /nfs/dbraw/zinc/56/60/11/983566011.db2.gz JOBRPAXBFVFKCZ-UHFFFAOYSA-N 0 2 419.503 3.782 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2c(C)cnn2-c2ccccc2)cc1Cl ZINC000439882165 983568002 /nfs/dbraw/zinc/56/80/02/983568002.db2.gz HYDXZQVGAMQCCB-UHFFFAOYSA-N 0 2 422.869 3.732 20 0 HHADLN CC(C)Cc1noc(-c2cc(Cl)ccc2NS(=O)(=O)CCOC(C)C)n1 ZINC000440277862 983705001 /nfs/dbraw/zinc/70/50/01/983705001.db2.gz PVVZOEOIHCOCJB-UHFFFAOYSA-N 0 2 401.916 3.755 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc(Br)c(F)c2)cnn1CCC(C)C ZINC000440814288 983918249 /nfs/dbraw/zinc/91/82/49/983918249.db2.gz ZXJRNBPUQZMVOD-UHFFFAOYSA-N 0 2 404.305 3.940 20 0 HHADLN O=S(=O)(Nc1ccc2nc(C3CC3)sc2c1)c1cnn(C2CCOCC2)c1 ZINC000440833993 983929401 /nfs/dbraw/zinc/92/94/01/983929401.db2.gz UNWNYCSKUJRPPE-UHFFFAOYSA-N 0 2 404.517 3.523 20 0 HHADLN C[C@@H](O)CN(C(=O)N=c1nc(C(C)(C)C)[nH]s1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000440975720 984007860 /nfs/dbraw/zinc/00/78/60/984007860.db2.gz JDUGMBRBLBMLBB-QWHCGFSZSA-N 0 2 410.971 3.757 20 0 HHADLN COCc1nc(CNC(=O)N=c2nc(C(C)(C)C)[nH]s2)c(-c2ccccc2)s1 ZINC000440976787 984008166 /nfs/dbraw/zinc/00/81/66/984008166.db2.gz LHTDQRGRYNKDEE-UHFFFAOYSA-N 0 2 417.560 3.849 20 0 HHADLN O=S(=O)(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1cnn(C2CCOCC2)c1 ZINC000441332016 984189302 /nfs/dbraw/zinc/18/93/02/984189302.db2.gz PWQALVVRMKFTMO-UHFFFAOYSA-N 0 2 414.487 3.568 20 0 HHADLN Cc1ccc(Oc2ccccc2)c(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000441758869 984434122 /nfs/dbraw/zinc/43/41/22/984434122.db2.gz IUZUEHKACNVNDD-UHFFFAOYSA-N 0 2 417.508 3.992 20 0 HHADLN CC(C)c1ncc(CN(C)C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cn1 ZINC000441773364 984443985 /nfs/dbraw/zinc/44/39/85/984443985.db2.gz ARIHTSZVZQTBMO-UHFFFAOYSA-N 0 2 402.911 3.858 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1nc2c(s1)CCCCCC2 ZINC000441908181 984531643 /nfs/dbraw/zinc/53/16/43/984531643.db2.gz FIIDRVWPWLTWMO-UHFFFAOYSA-N 0 2 412.519 3.821 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000442212537 984731565 /nfs/dbraw/zinc/73/15/65/984731565.db2.gz IISSERBTKHRQIJ-UHFFFAOYSA-N 0 2 423.450 3.867 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000442342653 984849459 /nfs/dbraw/zinc/84/94/59/984849459.db2.gz BWSFLEQCZIFMHJ-INIZCTEOSA-N 0 2 419.499 3.612 20 0 HHADLN COCCOCc1ccc(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc1 ZINC000461985119 984968705 /nfs/dbraw/zinc/96/87/05/984968705.db2.gz PLCFIFVEOYXESY-UHFFFAOYSA-N 0 2 403.891 3.696 20 0 HHADLN Cc1ccc(-c2nsc(NS(=O)(=O)c3ccccc3C(F)(F)F)n2)s1 ZINC000442597750 985082513 /nfs/dbraw/zinc/08/25/13/985082513.db2.gz BGYYBFFKNWFRBY-UHFFFAOYSA-N 0 2 405.448 3.817 20 0 HHADLN CC(C)[C@@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)N(C)C)cc3)c2C1 ZINC000442604401 985086898 /nfs/dbraw/zinc/08/68/98/985086898.db2.gz JKKYZWPRCPCFNT-MRXNPFEDSA-N 0 2 415.559 3.549 20 0 HHADLN CC(C)[C@@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)N(C)C)cc3)c2C1 ZINC000442604401 985086907 /nfs/dbraw/zinc/08/69/07/985086907.db2.gz JKKYZWPRCPCFNT-MRXNPFEDSA-N 0 2 415.559 3.549 20 0 HHADLN CC(C)[C@@H](C)N1Cc2cccc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)c2C1 ZINC000442604401 985086912 /nfs/dbraw/zinc/08/69/12/985086912.db2.gz JKKYZWPRCPCFNT-MRXNPFEDSA-N 0 2 415.559 3.549 20 0 HHADLN CCC[C@H](C)N1Cc2cccc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)c2C1 ZINC000442615520 985093606 /nfs/dbraw/zinc/09/36/06/985093606.db2.gz CVZBHHFVCYMIGI-INIZCTEOSA-N 0 2 415.559 3.693 20 0 HHADLN O=S(=O)(N[C@@H](CCc1ccccc1)C(F)(F)F)c1cnccc1C(F)(F)F ZINC000442771975 985210987 /nfs/dbraw/zinc/21/09/87/985210987.db2.gz UKHDGFACUOOUQM-AWEZNQCLSA-N 0 2 412.355 3.942 20 0 HHADLN CC(C)CC(=O)Nc1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442824786 985230556 /nfs/dbraw/zinc/23/05/56/985230556.db2.gz GMXBILVDFSYHRQ-UHFFFAOYSA-N 0 2 401.410 3.886 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000442827502 985230989 /nfs/dbraw/zinc/23/09/89/985230989.db2.gz PYWZSPKHHCFROO-UHFFFAOYSA-N 0 2 409.407 3.585 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC000443153758 985412648 /nfs/dbraw/zinc/41/26/48/985412648.db2.gz FDSDQHSRURKJPX-UHFFFAOYSA-N 0 2 423.541 3.779 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2ccc(F)c(C)c2)c(F)c1Cl ZINC000462450925 985414322 /nfs/dbraw/zinc/41/43/22/985414322.db2.gz ZXITYHNGOGUGQN-UHFFFAOYSA-N 0 2 406.813 3.503 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3cc4cc(C)ccc4o3)o2)cc1OC ZINC000443161971 985418379 /nfs/dbraw/zinc/41/83/79/985418379.db2.gz WSLGHAJCAZNKMO-UHFFFAOYSA-N 0 2 415.427 3.609 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2ccccc2Cl)c(F)c1Cl ZINC000462476338 985433609 /nfs/dbraw/zinc/43/36/09/985433609.db2.gz TTWHSVOMLDOTJX-UHFFFAOYSA-N 0 2 409.241 3.709 20 0 HHADLN C[C@@H](C(=O)NCc1nnc(COc2ccccc2)[nH]1)c1cccc(Br)c1 ZINC000462487312 985441867 /nfs/dbraw/zinc/44/18/67/985441867.db2.gz DUTSBUVPUJMCOM-CYBMUJFWSA-N 0 2 415.291 3.566 20 0 HHADLN COCc1nc(CNC(=O)c2c[nH]c3nc(C)ccc3c2=O)c(-c2ccccc2)s1 ZINC000443395763 985549900 /nfs/dbraw/zinc/54/99/00/985549900.db2.gz XJPRNZRPIGUULR-UHFFFAOYSA-N 0 2 420.494 3.844 20 0 HHADLN COC(=O)COc1ccc(NS(=O)(=O)c2cc(C)ccc2F)c2ccccc12 ZINC000467931660 985565610 /nfs/dbraw/zinc/56/56/10/985565610.db2.gz NQOKGGLFJOMZPU-UHFFFAOYSA-N 0 2 403.431 3.640 20 0 HHADLN O=S(=O)(Nc1cccnc1-n1cccn1)c1ccc(C(F)(F)F)cc1Cl ZINC000443412766 985568918 /nfs/dbraw/zinc/56/89/18/985568918.db2.gz ACOIDWVXGDIPKF-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2ccc(OCC(F)(F)F)c(Cl)c2)c1C ZINC000443417561 985574117 /nfs/dbraw/zinc/57/41/17/985574117.db2.gz PVXGUCVYFIXPSU-UHFFFAOYSA-N 0 2 411.833 3.915 20 0 HHADLN COc1cc(NS(=O)(=O)c2cccc(Br)c2F)c(C)c(OC)c1 ZINC000443419691 985576250 /nfs/dbraw/zinc/57/62/50/985576250.db2.gz RQMMLZNWCHBOQU-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN O=S(=O)(Nc1ccc(CCCc2ccccc2)cc1)c1cnn([C@H]2CCOC2)c1 ZINC000443460484 985633732 /nfs/dbraw/zinc/63/37/32/985633732.db2.gz KVKHQMSAXBAGIA-NRFANRHFSA-N 0 2 411.527 3.821 20 0 HHADLN O=S(=O)(Nc1cccc(CSC2CCCC2)c1)c1cnn([C@H]2CCOC2)c1 ZINC000443478625 985654287 /nfs/dbraw/zinc/65/42/87/985654287.db2.gz UOFMZAQDIIILHV-KRWDZBQOSA-N 0 2 407.561 3.821 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c1 ZINC000443528526 985698764 /nfs/dbraw/zinc/69/87/64/985698764.db2.gz JGNZEKWTOVCQAX-UHFFFAOYSA-N 0 2 423.384 3.975 20 0 HHADLN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000443535640 985706378 /nfs/dbraw/zinc/70/63/78/985706378.db2.gz UVZMGHKCNABAJP-UHFFFAOYSA-N 0 2 421.368 3.744 20 0 HHADLN CC(C)(C)c1nc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cs1 ZINC000443580341 985754975 /nfs/dbraw/zinc/75/49/75/985754975.db2.gz KNDPXJKVHHKKSU-UHFFFAOYSA-N 0 2 422.557 3.950 20 0 HHADLN CC(C)(C)c1ncc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)s1 ZINC000443580492 985755023 /nfs/dbraw/zinc/75/50/23/985755023.db2.gz SFFFKHFXRCMMPX-UHFFFAOYSA-N 0 2 422.557 3.950 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@H]1CSc2ccccc21 ZINC000443591812 985767108 /nfs/dbraw/zinc/76/71/08/985767108.db2.gz MDVANOJDGVHLFT-HNNXBMFYSA-N 0 2 417.537 3.772 20 0 HHADLN O=C(CCc1ccc(F)cc1F)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443803369 986002055 /nfs/dbraw/zinc/00/20/55/986002055.db2.gz QRTVEJWGRBOVTH-UHFFFAOYSA-N 0 2 423.466 3.793 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1c(C)[nH]nc1C(F)F ZINC000468345938 986042509 /nfs/dbraw/zinc/04/25/09/986042509.db2.gz LZKMNIUUGVSZFB-QMMMGPOBSA-N 0 2 409.842 3.524 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)c(F)c(F)c1 ZINC000468358668 986055898 /nfs/dbraw/zinc/05/58/98/986055898.db2.gz OOIUCHQAFCLPKS-VIFPVBQESA-N 0 2 409.813 3.972 20 0 HHADLN Cc1cccc(N2C(=O)N[C@@H](CCC(=O)Nc3cc(Cl)c(O)c(Cl)c3)C2=O)c1 ZINC000463113180 986076372 /nfs/dbraw/zinc/07/63/72/986076372.db2.gz XZJLVSKLGBLVSO-HNNXBMFYSA-N 0 2 422.268 3.851 20 0 HHADLN Cc1sc(=O)n(CCC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c1C ZINC000463171468 986143165 /nfs/dbraw/zinc/14/31/65/986143165.db2.gz OCKCHKJUOGFNDY-UHFFFAOYSA-N 0 2 412.302 3.647 20 0 HHADLN Cn1c(=O)[nH]c2ccc(C(=O)Nc3nc(-c4cc(Cl)ccc4Cl)n[nH]3)cc21 ZINC000463173361 986146000 /nfs/dbraw/zinc/14/60/00/986146000.db2.gz UJUYEHUWVNZQSU-UHFFFAOYSA-N 0 2 403.229 3.623 20 0 HHADLN Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463176691 986149604 /nfs/dbraw/zinc/14/96/04/986149604.db2.gz ZIYYWRZCSSPESV-VIFPVBQESA-N 0 2 407.305 3.946 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(CN3CCOCC3)c2)c1Cl ZINC000444040801 986238634 /nfs/dbraw/zinc/23/86/34/986238634.db2.gz TWWYMVZBFGEJFI-UHFFFAOYSA-N 0 2 415.342 3.935 20 0 HHADLN COCc1cccc2sc(NS(=O)(=O)c3cnc(-c4ccccc4)nc3)nc21 ZINC000444050938 986249456 /nfs/dbraw/zinc/24/94/56/986249456.db2.gz KILCSSIYVHVFAZ-UHFFFAOYSA-N 0 2 412.496 3.701 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OC(C)C)nc1 ZINC000468549645 986256047 /nfs/dbraw/zinc/25/60/47/986256047.db2.gz VFMBUTBRLNAYGY-ZDUSSCGKSA-N 0 2 414.911 3.737 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3cc4c(c(Cl)c3)O[C@H](C)C4)o2)c(C)o1 ZINC000444062977 986265172 /nfs/dbraw/zinc/26/51/72/986265172.db2.gz CVJWEMJSXXPEND-MRVPVSSYSA-N 0 2 409.851 3.724 20 0 HHADLN Cc1occc1-c1nnc(NS(=O)(=O)c2cc(C)c(Br)cc2C)o1 ZINC000444064677 986267190 /nfs/dbraw/zinc/26/71/90/986267190.db2.gz JIXOHMUZRIPVOI-UHFFFAOYSA-N 0 2 412.265 3.818 20 0 HHADLN CC(=O)Nc1ccc(CCNC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)cc1 ZINC000468616276 986331256 /nfs/dbraw/zinc/33/12/56/986331256.db2.gz XNZRINPVMOJYEV-UHFFFAOYSA-N 0 2 406.486 3.632 20 0 HHADLN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)s1 ZINC000444194537 986372257 /nfs/dbraw/zinc/37/22/57/986372257.db2.gz MJNCHXYYMKLJSV-UHFFFAOYSA-N 0 2 424.722 3.998 20 0 HHADLN COc1ccc(-c2nsc(NS(=O)(=O)c3ccc(Cl)cc3C)n2)cc1F ZINC000444218618 986401718 /nfs/dbraw/zinc/40/17/18/986401718.db2.gz XOWDLPMCKNOQTH-UHFFFAOYSA-N 0 2 413.883 3.537 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C)CCCOc2ccc(F)cc2)=N1 ZINC000468702511 986415336 /nfs/dbraw/zinc/41/53/36/986415336.db2.gz MJQHMKQASBLSBL-UHFFFAOYSA-N 0 2 401.413 3.706 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)=N1 ZINC000468734402 986448015 /nfs/dbraw/zinc/44/80/15/986448015.db2.gz NXGMYOKXZZTVCL-UHFFFAOYSA-N 0 2 410.449 3.550 20 0 HHADLN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000468750213 986464078 /nfs/dbraw/zinc/46/40/78/986464078.db2.gz XEUAJYZAGZAFIP-UHFFFAOYSA-N 0 2 424.476 3.743 20 0 HHADLN Cn1cc(-c2[nH]ncc2C(=O)NCC2(c3ccc(F)cc3Cl)CCCC2)cn1 ZINC000444328064 986507314 /nfs/dbraw/zinc/50/73/14/986507314.db2.gz HEZWPWHEXCKIGJ-UHFFFAOYSA-N 0 2 401.873 3.845 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000468810545 986518944 /nfs/dbraw/zinc/51/89/44/986518944.db2.gz CMASEDUQZGPZQN-LLVKDONJSA-N 0 2 416.952 3.890 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)COCC2)c1cc(Cl)ccc1OCC1CCC1 ZINC000468869407 986578207 /nfs/dbraw/zinc/57/82/07/986578207.db2.gz HLLYZAIILRFLTP-UHFFFAOYSA-N 0 2 414.936 3.849 20 0 HHADLN O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000468953085 986657047 /nfs/dbraw/zinc/65/70/47/986657047.db2.gz MTPOKVQAEKPTLO-UHFFFAOYSA-N 0 2 417.903 3.963 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN4CC[C@@H](OCC(C)C)C4)nc(=O)c3s2)cc1 ZINC000469052783 986763592 /nfs/dbraw/zinc/76/35/92/986763592.db2.gz QDQITVMMAPWJSE-QGZVFWFLSA-N 0 2 413.543 3.907 20 0 HHADLN COc1cc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)ccc1F ZINC000469094283 986808057 /nfs/dbraw/zinc/80/80/57/986808057.db2.gz ZYNHQRZGOCNNRJ-UHFFFAOYSA-N 0 2 413.833 3.672 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C[C@@H]3CC[C@H](C)C3)cc2)nc(C)n1 ZINC000469176863 986902233 /nfs/dbraw/zinc/90/22/33/986902233.db2.gz KYKQMESAONQRFU-XJKSGUPXSA-N 0 2 402.520 3.659 20 0 HHADLN O=C(CCc1[nH]cc[nH+]1)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC000469513852 987190801 /nfs/dbraw/zinc/19/08/01/987190801.db2.gz NXGINDZDFHHZIE-UHFFFAOYSA-N 0 2 422.869 3.574 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1Br ZINC000469977537 987594032 /nfs/dbraw/zinc/59/40/32/987594032.db2.gz VCSGUGVKVFJDES-UHFFFAOYSA-N 0 2 422.304 3.834 20 0 HHADLN O=S(=O)(c1ccc(O)c(-c2nc(-c3ccc(Cl)s3)no2)c1)N1CCCC1 ZINC000445564547 987626546 /nfs/dbraw/zinc/62/65/46/987626546.db2.gz GVRUTAJKFZMOIR-UHFFFAOYSA-N 0 2 411.892 3.609 20 0 HHADLN CCSCCCc1noc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)n1 ZINC000445750234 987812851 /nfs/dbraw/zinc/81/28/51/987812851.db2.gz JMNAUBHTPGNPEI-UHFFFAOYSA-N 0 2 410.546 3.680 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cccc(OCCF)c2)cnn1-c1ccc(Cl)cc1 ZINC000470449828 988428657 /nfs/dbraw/zinc/42/86/57/988428657.db2.gz OJFSJGSNZSAKCW-UHFFFAOYSA-N 0 2 409.870 3.983 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cc(-c3nc(C)co3)ccc2C)cc1OC ZINC000470452520 988433666 /nfs/dbraw/zinc/43/36/66/988433666.db2.gz QLFKSIGJIQOSLR-UHFFFAOYSA-N 0 2 406.435 3.916 20 0 HHADLN CCCOc1cc(F)ccc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000470453392 988434290 /nfs/dbraw/zinc/43/42/90/988434290.db2.gz VUJVJPOGFOSQFY-UHFFFAOYSA-N 0 2 400.815 3.503 20 0 HHADLN CCNS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000464407247 988576276 /nfs/dbraw/zinc/57/62/76/988576276.db2.gz AFFFWUNHRXWYJJ-UHFFFAOYSA-N 0 2 424.931 3.592 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccn(-c2ccc(F)cc2F)n1 ZINC000464419697 988591232 /nfs/dbraw/zinc/59/12/32/988591232.db2.gz WRTRHKLCEKMPCM-UHFFFAOYSA-N 0 2 417.828 3.997 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)c1F ZINC000464420945 988591944 /nfs/dbraw/zinc/59/19/44/988591944.db2.gz KEZKPGZXUXJJEL-UHFFFAOYSA-N 0 2 414.506 3.844 20 0 HHADLN Cc1ccccc1-c1cc(NS(=O)(=O)c2cccc(Br)c2)n(C)n1 ZINC000470787079 988841251 /nfs/dbraw/zinc/84/12/51/988841251.db2.gz HPBQGFFVSMZNIK-UHFFFAOYSA-N 0 2 406.305 3.959 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2cc(C)ccc2O)cc1Cl ZINC000464837976 989081519 /nfs/dbraw/zinc/08/15/19/989081519.db2.gz NOXREXGCLQBKDR-UHFFFAOYSA-N 0 2 406.685 3.926 20 0 HHADLN Cc1c2nc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)sc2ccc1F ZINC000464911060 989187523 /nfs/dbraw/zinc/18/75/23/989187523.db2.gz QLYYQKYJJYZKDY-UHFFFAOYSA-N 0 2 409.439 3.568 20 0 HHADLN CC[C@@H]1Oc2cc([C@H](C)NC(=O)N=c3nc(-c4ccccc4)[nH]s3)ccc2NC1=O ZINC000465061653 989386310 /nfs/dbraw/zinc/38/63/10/989386310.db2.gz RALRFRZBNUWAQV-LRDDRELGSA-N 0 2 423.498 3.619 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccco2)s1)c1ccc(OCC(F)(F)F)cc1 ZINC000471495965 989694047 /nfs/dbraw/zinc/69/40/47/989694047.db2.gz MILAKUVPUYTFDE-UHFFFAOYSA-N 0 2 405.379 3.540 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3cc(Cl)ccc3C)s2)c1 ZINC000471508164 989706291 /nfs/dbraw/zinc/70/62/91/989706291.db2.gz QWAFQTQCQWNZHU-UHFFFAOYSA-N 0 2 409.920 3.900 20 0 HHADLN Cc1nccn1CCCCNS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471590734 989794261 /nfs/dbraw/zinc/79/42/61/989794261.db2.gz OETTWSKBNRNUDR-UHFFFAOYSA-N 0 2 424.723 3.505 20 0 HHADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)n1 ZINC000471914148 990081418 /nfs/dbraw/zinc/08/14/18/990081418.db2.gz FKAZVBGBSBXZRD-UHFFFAOYSA-N 0 2 407.542 3.511 20 0 HHADLN O=S(=O)(Nc1ccnn1-c1cccc(F)c1)c1cccc(OC(F)(F)F)c1 ZINC000471922676 990088943 /nfs/dbraw/zinc/08/89/43/990088943.db2.gz MSNKVVIPVNTEAX-UHFFFAOYSA-N 0 2 401.341 3.711 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 ZINC000471923306 990089899 /nfs/dbraw/zinc/08/98/99/990089899.db2.gz ISHNTXNRZZBKSN-UHFFFAOYSA-N 0 2 406.508 3.768 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ccc2[nH]c(-c3ccccc3Cl)nc2c1 ZINC000471927186 990092959 /nfs/dbraw/zinc/09/29/59/990092959.db2.gz ADMOPSVTGOTKOA-UHFFFAOYSA-N 0 2 401.879 3.901 20 0 HHADLN CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000471928439 990094813 /nfs/dbraw/zinc/09/48/13/990094813.db2.gz IHNFFAFSWHXEDR-UHFFFAOYSA-N 0 2 405.451 3.716 20 0 HHADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n1 ZINC000471935870 990100884 /nfs/dbraw/zinc/10/08/84/990100884.db2.gz HHOHZLXDMPPNFL-UHFFFAOYSA-N 0 2 423.438 3.956 20 0 HHADLN Cc1cc(Br)ccc1S(=O)(=O)Nc1ccnn1Cc1ccccc1 ZINC000471941607 990106034 /nfs/dbraw/zinc/10/60/34/990106034.db2.gz CRMBVQPJTLGUBI-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(F)c(Br)cc1C ZINC000471965610 990131078 /nfs/dbraw/zinc/13/10/78/990131078.db2.gz SEWZAXSUHYDTRY-UHFFFAOYSA-N 0 2 420.256 3.694 20 0 HHADLN CCOc1c(Cl)cc(NC(=O)Cc2c(C)nc3cc(=O)[nH]n3c2C)cc1Cl ZINC000466264033 991510046 /nfs/dbraw/zinc/51/00/46/991510046.db2.gz CGHMOSJYYLBEOG-UHFFFAOYSA-N 0 2 409.273 3.938 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(Cl)c(Br)c1 ZINC000466287996 991536291 /nfs/dbraw/zinc/53/62/91/991536291.db2.gz JQXVHWAYPYEOJF-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN COC(=O)c1ccc(C(C)C)c(NS(=O)(=O)c2cc(OC)c(OC)cc2F)c1 ZINC000466472355 991763062 /nfs/dbraw/zinc/76/30/62/991763062.db2.gz HCXGYOJUWFDCIY-UHFFFAOYSA-N 0 2 411.451 3.554 20 0 HHADLN COC(=O)c1ccc(C(C)C)c(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)c1 ZINC000466683460 991997280 /nfs/dbraw/zinc/99/72/80/991997280.db2.gz QHXNDGLDTMUSIG-UHFFFAOYSA-N 0 2 423.473 3.615 20 0 HHADLN Cc1ccc(-n2cc(NC(=O)NCc3nnc(COc4ccccc4)[nH]3)cn2)c(C)c1 ZINC000466933797 992245378 /nfs/dbraw/zinc/24/53/78/992245378.db2.gz SVYSCJJOBOKLSS-UHFFFAOYSA-N 0 2 417.473 3.508 20 0 HHADLN CC(=O)Nc1ncccc1NS(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000466959955 992269910 /nfs/dbraw/zinc/26/99/10/992269910.db2.gz PNKOFSRSEBVTIU-UHFFFAOYSA-N 0 2 420.288 3.757 20 0 HHADLN CC(C)(C)c1cnc(NS(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)s1 ZINC000467016165 992323387 /nfs/dbraw/zinc/32/33/87/992323387.db2.gz KCMXSPYIPCRDID-LBPRGKRZSA-N 0 2 414.524 3.796 20 0 HHADLN CCOCCOCc1cccc(NS(=O)(=O)c2cc(F)c(F)cc2F)c1C ZINC000467079714 992385805 /nfs/dbraw/zinc/38/58/05/992385805.db2.gz QGJCFQHPOVGSTJ-UHFFFAOYSA-N 0 2 403.422 3.766 20 0 HHADLN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3CCCc4[nH]ncc43)ccc2C)c1 ZINC000467282925 992605325 /nfs/dbraw/zinc/60/53/25/992605325.db2.gz FGJIGKBAKBALDJ-SFHVURJKSA-N 0 2 424.526 3.886 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000467327343 992648887 /nfs/dbraw/zinc/64/88/87/992648887.db2.gz HSTPITBUEGQMCH-UHFFFAOYSA-N 0 2 414.878 3.900 20 0 HHADLN CCc1noc(-c2ccc(C)c(NC(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)c2)n1 ZINC000467346745 992666670 /nfs/dbraw/zinc/66/66/70/992666670.db2.gz MHPMJPRNDSFGBT-UHFFFAOYSA-N 0 2 424.486 3.982 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000467429342 992728830 /nfs/dbraw/zinc/72/88/30/992728830.db2.gz WRMHRLKDUMUQRW-IRXDYDNUSA-N 0 2 417.487 3.825 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)NCCc3nnc(-c4ccccc4)o3)=N2)c1 ZINC000467596148 992868600 /nfs/dbraw/zinc/86/86/00/992868600.db2.gz VODXXRCIZZITHU-UHFFFAOYSA-N 0 2 417.469 3.724 20 0 HHADLN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)C1 ZINC000467755921 993001117 /nfs/dbraw/zinc/00/11/17/993001117.db2.gz TTWKIBYHKQWIGY-RNJTYBCJSA-N 0 2 403.910 3.633 20 0 HHADLN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000472160786 993210377 /nfs/dbraw/zinc/21/03/77/993210377.db2.gz UUTXWVOVNKUNDK-AWEZNQCLSA-N 0 2 419.666 3.830 20 0 HHADLN C[C@H](COc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000472177410 993220814 /nfs/dbraw/zinc/22/08/14/993220814.db2.gz WKGYGHMASJYPEW-CQSZACIVSA-N 0 2 417.512 3.598 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cc(-c4cc(C)cc(C)c4)n[nH]3)cc21 ZINC000472419142 993416369 /nfs/dbraw/zinc/41/63/69/993416369.db2.gz AKNJJMRHUPQJSS-UHFFFAOYSA-N 0 2 424.526 3.793 20 0 HHADLN CC[C@H]1CN(C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)[C@@H](CC)CN1C(C)=O ZINC000472614718 993562700 /nfs/dbraw/zinc/56/27/00/993562700.db2.gz XSXRUZVLMIQVPY-OALUTQOASA-N 0 2 412.534 3.563 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H](C)c2noc(-c3ccccc3)n2)=N1 ZINC000473061610 993982562 /nfs/dbraw/zinc/98/25/62/993982562.db2.gz ZXTZLCJQKLAQFQ-ZDUSSCGKSA-N 0 2 407.405 3.566 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC[C@H](C(F)(F)F)[C@H]3C)s[nH]2)c1 ZINC000481151755 993985657 /nfs/dbraw/zinc/98/56/57/993985657.db2.gz SOZFUDZPIHOKMZ-MFKMUULPSA-N 0 2 400.426 3.830 20 0 HHADLN COc1ccc(NC(C)=O)c(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000473410155 994263143 /nfs/dbraw/zinc/26/31/43/994263143.db2.gz MRSLRQLLZGGCAK-UHFFFAOYSA-N 0 2 407.250 3.900 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccsc3C(=O)OC)cc2c1C ZINC000473420230 994272352 /nfs/dbraw/zinc/27/23/52/994272352.db2.gz VQGJKYYMIGJXIT-UHFFFAOYSA-N 0 2 423.468 3.567 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(-n3nnnc3C(C)C)c(C)c2)sc1Cl ZINC000473479843 994324600 /nfs/dbraw/zinc/32/46/00/994324600.db2.gz LUOPJTDOPRXDPP-UHFFFAOYSA-N 0 2 411.940 3.918 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000473507754 994358251 /nfs/dbraw/zinc/35/82/51/994358251.db2.gz VKFUGXPRTKKHBO-UHFFFAOYSA-N 0 2 421.457 3.747 20 0 HHADLN Cc1nc(-c2cccc(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)c2)oc1C ZINC000481580702 994419798 /nfs/dbraw/zinc/41/97/98/994419798.db2.gz UMNYKPMQIKKQOU-UHFFFAOYSA-N 0 2 409.471 3.648 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2ccc(F)cc2O)cc1Cl ZINC000481606860 994457643 /nfs/dbraw/zinc/45/76/43/994457643.db2.gz SNDGHJVZQBALMO-UHFFFAOYSA-N 0 2 410.648 3.757 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(CC(F)(F)F)cc1 ZINC000473714138 994605332 /nfs/dbraw/zinc/60/53/32/994605332.db2.gz ZCQUBQZDZXNBFY-UHFFFAOYSA-N 0 2 405.380 3.810 20 0 HHADLN Cc1cc2c(cc1S(=O)(=O)Nc1nnc(SCc3ccccc3)s1)OCO2 ZINC000481807937 994655514 /nfs/dbraw/zinc/65/55/14/994655514.db2.gz FEDHLPMFDOTPNQ-UHFFFAOYSA-N 0 2 421.525 3.668 20 0 HHADLN COc1ccc(Br)cc1S(=O)(=O)Nc1ncc(C(F)(F)F)s1 ZINC000473757901 994669470 /nfs/dbraw/zinc/66/94/70/994669470.db2.gz KFMOZMUFOHQSHY-UHFFFAOYSA-N 0 2 417.228 3.734 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccc(SC)cn3)cc2c1C ZINC000473758260 994669602 /nfs/dbraw/zinc/66/96/02/994669602.db2.gz NKTGRFQXUPERDK-UHFFFAOYSA-N 0 2 406.485 3.836 20 0 HHADLN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ncc(C(F)(F)F)s1 ZINC000473761068 994674306 /nfs/dbraw/zinc/67/43/06/994674306.db2.gz YUXDQUQVSRLNEI-UHFFFAOYSA-N 0 2 421.466 3.835 20 0 HHADLN CC(C)(C)OC(=O)c1ccccc1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473766250 994683529 /nfs/dbraw/zinc/68/35/29/994683529.db2.gz CZHLBDWFJFYCFM-UHFFFAOYSA-N 0 2 423.473 3.661 20 0 HHADLN Cc1cc2c(cc1S(=O)(=O)Nc1nnc(Cc3cccc(Cl)c3)s1)OCO2 ZINC000481833534 994683685 /nfs/dbraw/zinc/68/36/85/994683685.db2.gz UCZDHVXMOVPELM-UHFFFAOYSA-N 0 2 423.903 3.620 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccn2)c(Br)c1 ZINC000481849704 994706103 /nfs/dbraw/zinc/70/61/03/994706103.db2.gz SKFOUFBNMWLFJZ-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1cncc(Cl)c1 ZINC000481859173 994717575 /nfs/dbraw/zinc/71/75/75/994717575.db2.gz KWGDVSPHYIYGMC-UHFFFAOYSA-N 0 2 405.263 3.847 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3nc4cc(F)c(C)cc4s3)cc2C[C@@H]1C ZINC000481867168 994727925 /nfs/dbraw/zinc/72/79/25/994727925.db2.gz LDMBLYJUGGWEEO-NSHDSACASA-N 0 2 419.503 3.842 20 0 HHADLN Cc1ccsc1-c1nc(=NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)s[n-]1 ZINC000473818327 994746260 /nfs/dbraw/zinc/74/62/60/994746260.db2.gz KVBFUJTVCRMDEA-CYBMUJFWSA-N 0 2 419.601 3.969 20 0 HHADLN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1nnc(Cc2ccccc2)o1 ZINC000481885281 994751556 /nfs/dbraw/zinc/75/15/56/994751556.db2.gz GOYFCXKONXJLRB-UHFFFAOYSA-N 0 2 422.304 3.841 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)s2)c2ccccc12 ZINC000481924140 994795835 /nfs/dbraw/zinc/79/58/35/994795835.db2.gz QEAHYDQQVAQAHE-UHFFFAOYSA-N 0 2 404.517 3.649 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc3c(c2)OCO3)sc1Cc1ccc(F)cc1 ZINC000481939297 994815281 /nfs/dbraw/zinc/81/52/81/994815281.db2.gz AYRAWLHUHOMDQQ-UHFFFAOYSA-N 0 2 406.460 3.711 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2ccc3c(c2)OCO3)s1)c1ccccc1 ZINC000481942015 994818687 /nfs/dbraw/zinc/81/86/87/994818687.db2.gz KAEPUEVGEFULOR-CQSZACIVSA-N 0 2 403.485 3.610 20 0 HHADLN C[C@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc2c(c1)CCCC2 ZINC000473893194 994847301 /nfs/dbraw/zinc/84/73/01/994847301.db2.gz FOVZKYOQMYUXBU-INIZCTEOSA-N 0 2 405.502 3.823 20 0 HHADLN O=C(NCCCSc1ccc(F)cc1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473897296 994853499 /nfs/dbraw/zinc/85/34/99/994853499.db2.gz VQDHVIHHPRCBGL-UHFFFAOYSA-N 0 2 415.494 3.504 20 0 HHADLN CC(C)(CNC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccccc1Cl ZINC000473933651 994907098 /nfs/dbraw/zinc/90/70/98/994907098.db2.gz SEJAJGXYPFHPDH-UHFFFAOYSA-N 0 2 413.909 3.814 20 0 HHADLN C[C@@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1nc(C(C)(C)C)cs1 ZINC000473942408 994917643 /nfs/dbraw/zinc/91/76/43/994917643.db2.gz FEBCTPJPKPGLPX-CYBMUJFWSA-N 0 2 414.535 3.698 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NC[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000474045590 995036042 /nfs/dbraw/zinc/03/60/42/995036042.db2.gz QKLKPLMHHPNVGZ-KBPBESRZSA-N 0 2 411.428 3.552 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000474088174 995071024 /nfs/dbraw/zinc/07/10/24/995071024.db2.gz HIEXDLUDSVKYCZ-QQBSYFJQSA-N 0 2 403.486 3.771 20 0 HHADLN O=C(Nc1ccc(OC2COC2)cc1)c1[nH]nc(-c2ccccc2)c1Br ZINC000474141042 995119303 /nfs/dbraw/zinc/11/93/03/995119303.db2.gz WQYXOSOFPHQSMH-UHFFFAOYSA-N 0 2 414.259 3.869 20 0 HHADLN O=C(CNC(=O)c1ccc(Br)cc1)Nc1cc(Cl)cc(Cl)c1O ZINC000474369914 995350136 /nfs/dbraw/zinc/35/01/36/995350136.db2.gz JFSFKASCOVQOCH-UHFFFAOYSA-N 0 2 418.074 3.830 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cc(C4CCCCC4)n[nH]3)cc21 ZINC000474416789 995381722 /nfs/dbraw/zinc/38/17/22/995381722.db2.gz VTTAVUDEIZLDKS-UHFFFAOYSA-N 0 2 402.520 3.557 20 0 HHADLN CCCCCOc1ccc(S(=O)(=O)Nc2nnc(-c3ccccn3)s2)cc1 ZINC000474426258 995388991 /nfs/dbraw/zinc/38/89/91/995388991.db2.gz MEEBBJNNQSTCOB-UHFFFAOYSA-N 0 2 404.517 3.970 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccc2)s1)c1cc(Br)ccc1F ZINC000474437415 995399361 /nfs/dbraw/zinc/39/93/61/995399361.db2.gz WZSWEOXAGRCSJJ-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN O=C(CCSc1ccc(Cl)cc1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474573082 995534591 /nfs/dbraw/zinc/53/45/91/995534591.db2.gz DVSAFGLXMMYHBF-UHFFFAOYSA-N 0 2 402.907 3.836 20 0 HHADLN Cc1nc(Cc2ccccc2)sc1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474572716 995534859 /nfs/dbraw/zinc/53/48/59/995534859.db2.gz FAUCEYXDAVDDQX-UHFFFAOYSA-N 0 2 419.510 3.669 20 0 HHADLN Cc1nc(-c2ccc(F)cc2)sc1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474581985 995541875 /nfs/dbraw/zinc/54/18/75/995541875.db2.gz XKXDSQJUBMPREQ-UHFFFAOYSA-N 0 2 423.473 3.885 20 0 HHADLN CCCc1c(C(=O)NCc2nnc(COc3ccccc3)[nH]2)cnn1C1CCCC1 ZINC000474583435 995542598 /nfs/dbraw/zinc/54/25/98/995542598.db2.gz YKWDRHWMXMXZEV-UHFFFAOYSA-N 0 2 408.506 3.578 20 0 HHADLN COc1ccc2cc([C@H](C)C(=O)NCc3nnc(COc4ccccc4)[nH]3)ccc2c1 ZINC000474583864 995543252 /nfs/dbraw/zinc/54/32/52/995543252.db2.gz VPZLLVHSGPUWHA-INIZCTEOSA-N 0 2 416.481 3.965 20 0 HHADLN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474585405 995545401 /nfs/dbraw/zinc/54/54/01/995545401.db2.gz LZZXQKFDQQGLBO-LBPRGKRZSA-N 0 2 421.284 3.774 20 0 HHADLN COc1ccc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1OC1CCCC1 ZINC000474588758 995547640 /nfs/dbraw/zinc/54/76/40/995547640.db2.gz FTLYKUQMTZHBSV-UHFFFAOYSA-N 0 2 422.485 3.644 20 0 HHADLN Cc1nc(-c2ccccc2)c(C(=O)NCc2nnc(COc3ccccc3)[nH]2)s1 ZINC000474590473 995548948 /nfs/dbraw/zinc/54/89/48/995548948.db2.gz VQRLSQQCDUPVCI-UHFFFAOYSA-N 0 2 405.483 3.746 20 0 HHADLN COc1cc(C2(C(=O)NCc3nnc(COc4ccccc4)[nH]3)CCCC2)ccc1C ZINC000474592873 995551720 /nfs/dbraw/zinc/55/17/20/995551720.db2.gz PQJRICRWNKAYSG-UHFFFAOYSA-N 0 2 420.513 3.829 20 0 HHADLN Cc1csc(NC2CCN(C(=O)C3=NN(c4ccc(F)cc4C)CC3=O)CC2)n1 ZINC000474817437 995723388 /nfs/dbraw/zinc/72/33/88/995723388.db2.gz ZPRMWJPZJLZCST-UHFFFAOYSA-N 0 2 415.494 3.507 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccccc1-c1csc(C)n1 ZINC000475827546 996396804 /nfs/dbraw/zinc/39/68/04/996396804.db2.gz CZIHNFSEGOKZTI-UHFFFAOYSA-N 0 2 417.512 3.886 20 0 HHADLN Cc1nnc(-c2cc(F)ccc2NS(=O)(=O)c2ccccc2-c2ccno2)o1 ZINC000475829425 996398415 /nfs/dbraw/zinc/39/84/15/996398415.db2.gz HXUBOPLGWAJFFO-UHFFFAOYSA-N 0 2 400.391 3.640 20 0 HHADLN O=C(CSc1nc(=O)cc(O)n1C1CCCC1)Cc1ccc(Br)cc1 ZINC000475978762 996511442 /nfs/dbraw/zinc/51/14/42/996511442.db2.gz RXZKFURZMJFZAY-UHFFFAOYSA-N 0 2 423.332 3.730 20 0 HHADLN O=C(CSc1nc(=O)cc(O)n1C1CCCC1)Cc1cccc(Br)c1 ZINC000475979048 996511921 /nfs/dbraw/zinc/51/19/21/996511921.db2.gz SQTWCDLOMSBDJX-UHFFFAOYSA-N 0 2 423.332 3.730 20 0 HHADLN O=S(=O)(Nc1ccccc1Nc1c(F)cccc1F)c1cnn([C@@H]2CCOC2)c1 ZINC000484084258 996561042 /nfs/dbraw/zinc/56/10/42/996561042.db2.gz AOMADXBFUKZLLK-CYBMUJFWSA-N 0 2 420.441 3.667 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c(C)c1 ZINC000484118187 996579529 /nfs/dbraw/zinc/57/95/29/996579529.db2.gz REILTMXPEWQNEC-UHFFFAOYSA-N 0 2 422.466 3.521 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2c(-c3cccnc3)nc3ccccn32)cc1F ZINC000476085640 996585906 /nfs/dbraw/zinc/58/59/06/996585906.db2.gz RXHROBBHSGZLJV-UHFFFAOYSA-N 0 2 400.410 3.784 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)cc1F ZINC000476088989 996587914 /nfs/dbraw/zinc/58/79/14/996587914.db2.gz DNARFGYSOTWACK-UHFFFAOYSA-N 0 2 406.458 3.952 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(Cc3nnc4ccccn43)cc2)cc1F ZINC000476096793 996592718 /nfs/dbraw/zinc/59/27/18/996592718.db2.gz PBRQHJZVVXMJEO-UHFFFAOYSA-N 0 2 414.437 3.708 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1F ZINC000476097721 996593580 /nfs/dbraw/zinc/59/35/80/996593580.db2.gz HLGHKKSHKOGCAP-UHFFFAOYSA-N 0 2 400.410 3.784 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc1 ZINC000484197644 996630675 /nfs/dbraw/zinc/63/06/75/996630675.db2.gz DDDVZDJBLWOGEP-UHFFFAOYSA-N 0 2 422.466 3.602 20 0 HHADLN O=S(=O)(Nc1ccc2nncn2c1)c1cc(Br)c(Cl)cc1Cl ZINC000476221027 996686630 /nfs/dbraw/zinc/68/66/30/996686630.db2.gz PRXPWROJFGEEHC-UHFFFAOYSA-N 0 2 422.091 3.599 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)ncn2)c1C ZINC000476428999 996898240 /nfs/dbraw/zinc/89/82/40/996898240.db2.gz OOUBLAAVMBYMOL-UHFFFAOYSA-N 0 2 417.874 3.693 20 0 HHADLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)oc1C ZINC000476430889 996901682 /nfs/dbraw/zinc/90/16/82/996901682.db2.gz FQGCBKAQKUZJPW-UHFFFAOYSA-N 0 2 412.773 3.633 20 0 HHADLN CCc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000476436328 996906899 /nfs/dbraw/zinc/90/68/99/996906899.db2.gz YVOJQAWOUCSTDL-UHFFFAOYSA-N 0 2 415.540 3.779 20 0 HHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)s1 ZINC000476436298 996907588 /nfs/dbraw/zinc/90/75/88/996907588.db2.gz OHXOVXNNXLJLSH-UHFFFAOYSA-N 0 2 407.473 3.625 20 0 HHADLN CC(C)[C@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000476531696 997020697 /nfs/dbraw/zinc/02/06/97/997020697.db2.gz HKRZAWUHIYFBGM-HOTGVXAUSA-N 0 2 407.561 3.889 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCCCc2ccccc21 ZINC000476531786 997020874 /nfs/dbraw/zinc/02/08/74/997020874.db2.gz JTAMWWWOQIYJEY-UHFFFAOYSA-N 0 2 413.524 3.927 20 0 HHADLN O=C(Cc1csc(-c2cnccn2)n1)Nc1nnc(-c2ccc(Cl)cc2)s1 ZINC000484709824 997048421 /nfs/dbraw/zinc/04/84/21/997048421.db2.gz XHKNBBSYZKOMMG-UHFFFAOYSA-N 0 2 414.903 3.953 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@H](c2ccccc2)c2ccccn2)=N1 ZINC000484709621 997048672 /nfs/dbraw/zinc/04/86/72/997048672.db2.gz MZBHVZWMGOOWOS-OAQYLSRUSA-N 0 2 402.429 3.940 20 0 HHADLN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@H]3CCCc4cn[nH]c43)c2)c1 ZINC000484730971 997072437 /nfs/dbraw/zinc/07/24/37/997072437.db2.gz CMLQVYLTPZTCGL-IBGZPJMESA-N 0 2 424.526 3.635 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC[C@]3(CO)Cc3ccccc3)=N2)cc1 ZINC000476628549 997150015 /nfs/dbraw/zinc/15/00/15/997150015.db2.gz JIWIPKYZKQTGSJ-RUZDIDTESA-N 0 2 419.525 3.911 20 0 HHADLN O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476684365 997224413 /nfs/dbraw/zinc/22/44/13/997224413.db2.gz FFNLITDLLHCPFT-VNQPRFMTSA-N 0 2 405.545 3.643 20 0 HHADLN O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476684363 997224803 /nfs/dbraw/zinc/22/48/03/997224803.db2.gz FFNLITDLLHCPFT-NUEKZKHPSA-N 0 2 405.545 3.643 20 0 HHADLN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476688633 997228565 /nfs/dbraw/zinc/22/85/65/997228565.db2.gz IYARGCJXGSFNTN-BBRMVZONSA-N 0 2 407.561 3.889 20 0 HHADLN CC(C)C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476699324 997239456 /nfs/dbraw/zinc/23/94/56/997239456.db2.gz JXBHMPQQJRENNE-INIZCTEOSA-N 0 2 407.561 3.985 20 0 HHADLN O=C(Nc1ccc2scnc2c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476699482 997239836 /nfs/dbraw/zinc/23/98/36/997239836.db2.gz ZNMYYCGUGGNDNQ-UHFFFAOYSA-N 0 2 416.509 3.806 20 0 HHADLN COc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)c1 ZINC000476757330 997314199 /nfs/dbraw/zinc/31/41/99/997314199.db2.gz HAUXYXQMFAMJIT-UHFFFAOYSA-N 0 2 403.485 3.513 20 0 HHADLN Cc1csc([C@H](C)NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)n1 ZINC000485010561 997375046 /nfs/dbraw/zinc/37/50/46/997375046.db2.gz WXDAUDUGZZLMAR-NSHDSACASA-N 0 2 423.545 3.592 20 0 HHADLN C[C@@H]1CCCN(Cc2csc(NS(=O)(=O)c3ccc4ncccc4c3)n2)C1 ZINC000476939000 997553842 /nfs/dbraw/zinc/55/38/42/997553842.db2.gz ORSYELSMYRYFNU-CQSZACIVSA-N 0 2 402.545 3.724 20 0 HHADLN CC(=O)N1CCCc2cc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)ccc21 ZINC000485172836 997553960 /nfs/dbraw/zinc/55/39/60/997553960.db2.gz LVKFWTMSBUJIIQ-UHFFFAOYSA-N 0 2 416.396 3.944 20 0 HHADLN O=C(c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1)N1CCCC1 ZINC000485358987 997783195 /nfs/dbraw/zinc/78/31/95/997783195.db2.gz YDLGUYCRXSOQRL-UHFFFAOYSA-N 0 2 416.396 3.881 20 0 HHADLN Cc1ccccc1CN(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485372131 997798359 /nfs/dbraw/zinc/79/83/59/997798359.db2.gz ISFIKJRSDVZKCY-UHFFFAOYSA-N 0 2 416.528 3.916 20 0 HHADLN CC(=O)Nc1cc(NS(=O)(=O)c2cc(Br)c(F)cc2F)ccc1F ZINC000485375442 997802680 /nfs/dbraw/zinc/80/26/80/997802680.db2.gz FUMQVKDFJCQGCK-UHFFFAOYSA-N 0 2 423.210 3.626 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)C[C@@H]1CCC(=O)[C@H]1C ZINC000477155281 997814850 /nfs/dbraw/zinc/81/48/50/997814850.db2.gz CRPPZUQOIIYLPQ-GJZGRUSLSA-N 0 2 418.490 3.879 20 0 HHADLN Cc1cc(OCc2cccc(F)c2)ccc1NS(=O)(=O)c1c(Cl)cnn1C ZINC000485393626 997821366 /nfs/dbraw/zinc/82/13/66/997821366.db2.gz PHZKOSMRMWHAAN-UHFFFAOYSA-N 0 2 409.870 3.901 20 0 HHADLN COCCOc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000485407175 997839190 /nfs/dbraw/zinc/83/91/90/997839190.db2.gz OWWQDKULHLTSSJ-UHFFFAOYSA-N 0 2 420.712 3.929 20 0 HHADLN COc1cc(C)sc1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485490454 997942502 /nfs/dbraw/zinc/94/25/02/997942502.db2.gz LFDMFMSRKGKOTR-UHFFFAOYSA-N 0 2 409.514 3.575 20 0 HHADLN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cc(C3CCCCC3)nn2C)cc1 ZINC000477377203 998063942 /nfs/dbraw/zinc/06/39/42/998063942.db2.gz RQJDWGGHOPIKEZ-UHFFFAOYSA-N 0 2 418.563 3.751 20 0 HHADLN Cc1coc(-c2cc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)ccc2C)n1 ZINC000477469921 998186897 /nfs/dbraw/zinc/18/68/97/998186897.db2.gz JOCVFOSJWQQWQY-UHFFFAOYSA-N 0 2 415.446 3.783 20 0 HHADLN O=C(c1ccc(Cl)cc1)C1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)CC1 ZINC000485878232 998334438 /nfs/dbraw/zinc/33/44/38/998334438.db2.gz BTYFUGNKTHJUAV-UHFFFAOYSA-N 0 2 409.873 3.966 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cc1OC ZINC000486083778 998530996 /nfs/dbraw/zinc/53/09/96/998530996.db2.gz AUUQOPSMMMCRCE-UHFFFAOYSA-N 0 2 401.488 3.814 20 0 HHADLN CC(C)CCn1ncc(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1C(C)C ZINC000486096595 998544880 /nfs/dbraw/zinc/54/48/80/998544880.db2.gz PRVJNFMEYFAEQJ-UHFFFAOYSA-N 0 2 402.520 3.695 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C(C)C)cc1C ZINC000486100197 998547628 /nfs/dbraw/zinc/54/76/28/998547628.db2.gz ZJCZZTBNLOGFIG-UHFFFAOYSA-N 0 2 407.536 3.948 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cc(C)cc(Br)c2)cc1OC ZINC000486109328 998555988 /nfs/dbraw/zinc/55/59/88/998555988.db2.gz MWBUHMFWVKDPSV-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN CCCc1nc(C)c(NS(=O)(=O)c2cc(Br)cc(OC)c2)s1 ZINC000486129500 998577960 /nfs/dbraw/zinc/57/79/60/998577960.db2.gz YGERHPXXOYHDBG-UHFFFAOYSA-N 0 2 405.339 3.976 20 0 HHADLN CCOCCOc1c(Cl)cccc1NS(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000486527596 998808900 /nfs/dbraw/zinc/80/89/00/998808900.db2.gz KLHOWFICXZREQR-UHFFFAOYSA-N 0 2 415.895 3.573 20 0 HHADLN O=S(=O)(Nc1cccc(-n2ccnn2)c1)c1c(Cl)cccc1C(F)(F)F ZINC000486542770 998816208 /nfs/dbraw/zinc/81/62/08/998816208.db2.gz UZDBTZVJEKCDLD-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN C[C@H]1Cc2cc(S(=O)(=O)Nc3cc(-c4ccc(Cl)s4)nn3C)ccc2O1 ZINC000486553005 998822332 /nfs/dbraw/zinc/82/23/32/998822332.db2.gz XTLWSEVCBRJAIT-JTQLQIEISA-N 0 2 409.920 3.926 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000486570526 998833035 /nfs/dbraw/zinc/83/30/35/998833035.db2.gz IWMDUXRANHBZBK-LBPRGKRZSA-N 0 2 415.968 3.838 20 0 HHADLN Cn1cc(-c2ccnc(NS(=O)(=O)c3cc4cc(Cl)ccc4s3)n2)cn1 ZINC000486575054 998836305 /nfs/dbraw/zinc/83/63/05/998836305.db2.gz XXPGLMLFTAGWFV-UHFFFAOYSA-N 0 2 405.892 3.546 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)c1 ZINC000486606592 998853538 /nfs/dbraw/zinc/85/35/38/998853538.db2.gz QVKLICKKOIWTBA-UHFFFAOYSA-N 0 2 404.391 3.532 20 0 HHADLN Cc1cc(C)n(Cc2ccc(C(=O)Nc3nc(-c4c(F)cccc4F)n[nH]3)cc2)n1 ZINC000478318017 998884419 /nfs/dbraw/zinc/88/44/19/998884419.db2.gz WFRHHYYWIYXMON-UHFFFAOYSA-N 0 2 408.412 3.864 20 0 HHADLN O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000478321206 998886843 /nfs/dbraw/zinc/88/68/43/998886843.db2.gz UYLBCTJBIFOQOT-UHFFFAOYSA-N 0 2 421.407 3.662 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(C)n(-c4nccs4)c3C)s[nH]2)c1 ZINC000478678594 999084208 /nfs/dbraw/zinc/08/42/08/999084208.db2.gz SNOQJKDWCORYCO-UHFFFAOYSA-N 0 2 411.512 3.752 20 0 HHADLN CNC(=O)COc1ccc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)c(C)c1 ZINC000478682048 999086190 /nfs/dbraw/zinc/08/61/90/999086190.db2.gz RIHKBTKVNRSLQU-UHFFFAOYSA-N 0 2 424.931 3.789 20 0 HHADLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2ccc(Br)c(OC)c2)cn1 ZINC000478683128 999087001 /nfs/dbraw/zinc/08/70/01/999087001.db2.gz WSLJJBHCVKMWQP-SNVBAGLBSA-N 0 2 400.298 3.562 20 0 HHADLN CC[C@H]1NC(=O)N(c2cccc(NS(=O)(=O)c3ccc(C(C)(C)C)s3)c2)C1=O ZINC000478707545 999099030 /nfs/dbraw/zinc/09/90/30/999099030.db2.gz ZCKHUQYBBBDKHE-CQSZACIVSA-N 0 2 421.544 3.681 20 0 HHADLN COC(=O)CCCOc1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000487355795 999145657 /nfs/dbraw/zinc/14/56/57/999145657.db2.gz PCTSFYNLFXEQGQ-UHFFFAOYSA-N 0 2 401.843 3.612 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 ZINC000487396007 999159985 /nfs/dbraw/zinc/15/99/85/999159985.db2.gz ZVZDVRPCVMTERR-UHFFFAOYSA-N 0 2 417.314 3.639 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1cccc(CO)c1 ZINC000487482995 999194494 /nfs/dbraw/zinc/19/44/94/999194494.db2.gz YPNIIXYSOORNNR-UHFFFAOYSA-N 0 2 414.458 3.680 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3c[nH]nc3-c3c(F)cccc3F)s[nH]2)c1 ZINC000487595323 999223106 /nfs/dbraw/zinc/22/31/06/999223106.db2.gz ZNFQAPMLWCMCRV-UHFFFAOYSA-N 0 2 413.409 3.556 20 0 HHADLN CC(C)Cn1ccc2cc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)ccc21 ZINC000479078652 999283610 /nfs/dbraw/zinc/28/36/10/999283610.db2.gz OWIURTSOMGAQGD-UHFFFAOYSA-N 0 2 400.426 3.857 20 0 HHADLN Cc1cccc2sc(NS(=O)(=O)c3ccc(C(=O)N4CCCC4)c(F)c3)nc21 ZINC000479199925 999323289 /nfs/dbraw/zinc/32/32/89/999323289.db2.gz YJGDWNKEZJFNOK-UHFFFAOYSA-N 0 2 419.503 3.781 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1Cl ZINC000479246359 999344591 /nfs/dbraw/zinc/34/45/91/999344591.db2.gz DJYVAFMPICMPJO-UHFFFAOYSA-N 0 2 422.869 3.732 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2C)cc1Cl ZINC000479263915 999353802 /nfs/dbraw/zinc/35/38/02/999353802.db2.gz AAGZHUJFNUGPHH-UHFFFAOYSA-N 0 2 418.906 3.902 20 0 HHADLN CC(C)c1nn(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000479270399 999357799 /nfs/dbraw/zinc/35/77/99/999357799.db2.gz NLVPREJFFMGFAP-UHFFFAOYSA-N 0 2 416.478 3.736 20 0 HHADLN CC(C)c1nn(C)cc1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000479286950 999366598 /nfs/dbraw/zinc/36/65/98/999366598.db2.gz RWOARGXUYITMGG-UHFFFAOYSA-N 0 2 410.696 3.899 20 0 HHADLN O=S(=O)(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cccc(Cl)c1F ZINC000479288104 999366854 /nfs/dbraw/zinc/36/68/54/999366854.db2.gz XJXULPKVEDZVAD-UHFFFAOYSA-N 0 2 402.838 3.990 20 0 HHADLN CCc1ccccc1S(=O)(=O)Nc1cc(C)nn1-c1ccc(C(F)(F)F)cn1 ZINC000488304326 999431222 /nfs/dbraw/zinc/43/12/22/999431222.db2.gz XTLCXQJBGXWDIN-UHFFFAOYSA-N 0 2 410.421 3.958 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(Oc3ccccn3)cc2)c(OC)c1 ZINC000488311759 999435112 /nfs/dbraw/zinc/43/51/12/999435112.db2.gz SMQJPEHLTPCJRW-UHFFFAOYSA-N 0 2 416.455 3.701 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1cccc(OCc2cscn2)c1 ZINC000479491684 999442005 /nfs/dbraw/zinc/44/20/05/999442005.db2.gz WNNSJKMLWQLCTN-UHFFFAOYSA-N 0 2 406.485 3.540 20 0 HHADLN COc1ccc(Sc2ccc(NS(=O)(=O)c3c(C)nn(C)c3C)cc2)cc1 ZINC000479504344 999448475 /nfs/dbraw/zinc/44/84/75/999448475.db2.gz PKFXJDOMMHOCMC-UHFFFAOYSA-N 0 2 403.529 3.998 20 0 HHADLN Cc1csc(-c2cccc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)c2)n1 ZINC000479507050 999449766 /nfs/dbraw/zinc/44/97/66/999449766.db2.gz YPOVGQSITGNPAB-UHFFFAOYSA-N 0 2 402.423 3.678 20 0 HHADLN O=S(=O)(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1cnn(CC(F)(F)F)c1 ZINC000479507153 999449806 /nfs/dbraw/zinc/44/98/06/999449806.db2.gz ZIKBBRYNJYGPIG-UHFFFAOYSA-N 0 2 412.393 3.779 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1 ZINC000479508906 999451178 /nfs/dbraw/zinc/45/11/78/999451178.db2.gz AVHCBBFNTMEKBC-UHFFFAOYSA-N 0 2 417.441 3.659 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000479516287 999454992 /nfs/dbraw/zinc/45/49/92/999454992.db2.gz KBLVQPRCJUXFBE-UHFFFAOYSA-N 0 2 405.472 3.936 20 0 HHADLN COc1ccccc1COc1cccc(NS(=O)(=O)c2c(C)nn(C)c2C)c1C ZINC000479522150 999458466 /nfs/dbraw/zinc/45/84/66/999458466.db2.gz AFIQKMZDZAWIQH-UHFFFAOYSA-N 0 2 415.515 3.734 20 0 HHADLN CCOc1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F)OCCO2 ZINC000488376690 999464647 /nfs/dbraw/zinc/46/46/47/999464647.db2.gz FUPWMAIRRPMCGN-UHFFFAOYSA-N 0 2 421.368 3.815 20 0 HHADLN CC(C)(C)c1ccc(O)c(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)c1 ZINC000479576339 999486782 /nfs/dbraw/zinc/48/67/82/999486782.db2.gz GKUFCZQMVUGTSN-UHFFFAOYSA-N 0 2 420.506 3.866 20 0 HHADLN CC(C)(C)[C@@H]1CCc2nc(NS(=O)(=O)c3cnn(CC(F)F)c3)sc2C1 ZINC000488438121 999487239 /nfs/dbraw/zinc/48/72/39/999487239.db2.gz LZCOBUCJMKYZAG-SNVBAGLBSA-N 0 2 404.508 3.557 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ncc(-c3ccccc3)s2)c(OC)c1 ZINC000488575299 999532576 /nfs/dbraw/zinc/53/25/76/999532576.db2.gz AKZHIWVEFWTIEI-UHFFFAOYSA-N 0 2 406.485 3.637 20 0 HHADLN CC(C)(C)C(=O)NCc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1 ZINC000479757876 999575257 /nfs/dbraw/zinc/57/52/57/999575257.db2.gz SSOWPFQWJBNVEY-UHFFFAOYSA-N 0 2 413.428 3.665 20 0 HHADLN CC[C@H](C)n1ncc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1C ZINC000479906637 999643789 /nfs/dbraw/zinc/64/37/89/999643789.db2.gz YNUDHDSFZOAHRE-LBPRGKRZSA-N 0 2 419.532 3.672 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2c(F)cccc2F)cn1 ZINC000488985044 999664628 /nfs/dbraw/zinc/66/46/28/999664628.db2.gz UFDXGTZGDUUCRJ-UHFFFAOYSA-N 0 2 404.394 3.614 20 0 HHADLN CCCCCOc1ccc(S(=O)(=O)Nc2ccnn2-c2cc(C)ccn2)cc1 ZINC000479962380 999665268 /nfs/dbraw/zinc/66/52/68/999665268.db2.gz LSSIWHPCOYPKIH-UHFFFAOYSA-N 0 2 400.504 3.946 20 0 HHADLN C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000480075694 999710343 /nfs/dbraw/zinc/71/03/43/999710343.db2.gz VNAAZLDTRDWFQY-LLVKDONJSA-N 0 2 415.548 3.546 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NC[C@H](CO)c1ccccc1Cl ZINC000480151928 999731580 /nfs/dbraw/zinc/73/15/80/999731580.db2.gz KICCLPQSHAFZBW-LLVKDONJSA-N 0 2 423.325 3.831 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H](C)C3)cc2C)c(F)c1 ZINC000480187347 999739701 /nfs/dbraw/zinc/73/97/01/999739701.db2.gz BVAZBSDBWLQALI-AWEZNQCLSA-N 0 2 420.506 3.816 20 0 HHADLN CCc1c(NS(=O)(=O)c2c(C)oc(C)c2C(=O)OC)cnn1-c1cccc(C)c1 ZINC000480197067 999742160 /nfs/dbraw/zinc/74/21/60/999742160.db2.gz FTJOQQLUBOOEAN-UHFFFAOYSA-N 0 2 417.487 3.540 20 0 HHADLN CCOC(=O)c1cc(CC)sc1NS(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000480203311 999744163 /nfs/dbraw/zinc/74/41/63/999744163.db2.gz CMXAISJURUTXRX-UHFFFAOYSA-N 0 2 410.517 3.555 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cnn1C(CC)CC ZINC000480219215 999748562 /nfs/dbraw/zinc/74/85/62/999748562.db2.gz CUOGLMPFTUCZNH-UHFFFAOYSA-N 0 2 404.536 3.882 20 0 HHADLN CCc1c(NS(=O)(=O)c2cc(OC)cc(OC)c2)cnn1-c1ccccc1C ZINC000480220116 999748740 /nfs/dbraw/zinc/74/87/40/999748740.db2.gz GMFDUOYVIMXPMV-UHFFFAOYSA-N 0 2 401.488 3.561 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2ccc(C3(C(=O)OC)CC3)cc2)c1C(C)C ZINC000480230094 999751387 /nfs/dbraw/zinc/75/13/87/999751387.db2.gz PXWDLSANWAKHNR-UHFFFAOYSA-N 0 2 419.547 3.812 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cnn1-c1ccccc1C ZINC000480242468 999754689 /nfs/dbraw/zinc/75/46/89/999754689.db2.gz QHMFANHYXFJKKS-UHFFFAOYSA-N 0 2 413.499 3.705 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)OCCO3)cnn1-c1cccc(Cl)c1 ZINC000480244542 999754914 /nfs/dbraw/zinc/75/49/14/999754914.db2.gz VKNPQZNSLKDGOD-UHFFFAOYSA-N 0 2 419.890 3.660 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)cnn1C(CC)CC ZINC000480248830 999756042 /nfs/dbraw/zinc/75/60/42/999756042.db2.gz OOIHWLNGNLUBCW-UHFFFAOYSA-N 0 2 420.457 3.944 20 0 HHADLN CC[C@H](NC(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O)c1nnc2n1CCCCC2 ZINC000489648753 999809792 /nfs/dbraw/zinc/80/97/92/999809792.db2.gz FBWUBCREVMRNFL-SFHVURJKSA-N 0 2 422.533 3.900 20 0 HHADLN Cc1csc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)c1Cl ZINC000480579725 999831801 /nfs/dbraw/zinc/83/18/01/999831801.db2.gz MHUIVUNEOOUEDQ-UHFFFAOYSA-N 0 2 414.921 3.615 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc2sc(N3CCCC3)nc2s1 ZINC000480581920 999832169 /nfs/dbraw/zinc/83/21/69/999832169.db2.gz OBLDHZZFDCDWJM-UHFFFAOYSA-N 0 2 414.541 3.546 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccc2sccc2c1 ZINC000490087717 999891024 /nfs/dbraw/zinc/89/10/24/999891024.db2.gz MQDJHDOZAQGEIS-UHFFFAOYSA-N 0 2 416.509 3.806 20 0 HHADLN C[C@H](CCC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccccc1 ZINC000490090463 999891606 /nfs/dbraw/zinc/89/16/06/999891606.db2.gz QOCZLBCEPFSRSD-CQSZACIVSA-N 0 2 416.528 3.861 20 0 HHADLN CC(C)(Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000490101907 999893405 /nfs/dbraw/zinc/89/34/05/999893405.db2.gz MEPACRRNJJFMAL-UHFFFAOYSA-N 0 2 416.528 3.546 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000491594407 1000087384 /nfs/dbraw/zinc/08/73/84/1000087384.db2.gz PTWZCFDIHDWNPG-UHFFFAOYSA-N 0 2 413.480 3.879 20 0 HHADLN Cc1noc2ncc(NS(=O)(=O)c3cccc(Cl)c3Br)cc12 ZINC000491855876 1000097792 /nfs/dbraw/zinc/09/77/92/1000097792.db2.gz YJUFFHNYEHHZNK-UHFFFAOYSA-N 0 2 402.657 3.748 20 0 HHADLN COc1ccc(Br)c(CC(=O)N=c2nc(-c3ccsc3)[nH]s2)c1 ZINC000495002188 1000773167 /nfs/dbraw/zinc/77/31/67/1000773167.db2.gz WSEZYDHRMGATAP-UHFFFAOYSA-N 0 2 410.318 3.641 20 0 HHADLN CC(C)c1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)cc1 ZINC000497191391 1001279820 /nfs/dbraw/zinc/27/98/20/1001279820.db2.gz PRTIZELHCYAEPM-UHFFFAOYSA-N 0 2 404.517 3.658 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CC[C@@](F)(c4cc(C)cc(F)c4)C3)=N2)cc1 ZINC000506334954 1001362160 /nfs/dbraw/zinc/36/21/60/1001362160.db2.gz MKYHXQIQPVPEFU-QFIPXVFZSA-N 0 2 413.424 3.745 20 0 HHADLN Cc1cc(F)cc([C@@]2(F)CCN(C(=O)C3=NN(c4ccc(F)cc4)CC3=O)C2)c1 ZINC000506375153 1001385323 /nfs/dbraw/zinc/38/53/23/1001385323.db2.gz LSGKMGRRIWEDJZ-OAQYLSRUSA-N 0 2 401.388 3.875 20 0 HHADLN Cc1oc(C2CC2)nc1C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000497563941 1001436915 /nfs/dbraw/zinc/43/69/15/1001436915.db2.gz OLFQZYXHBPNHIP-UHFFFAOYSA-N 0 2 406.215 3.799 20 0 HHADLN Cc1csc(NS(=O)(=O)c2c(Br)cc3[nH]c(=O)oc3c2Cl)n1 ZINC000497722536 1001495816 /nfs/dbraw/zinc/49/58/16/1001495816.db2.gz NRPHKTNXPCMIGZ-UHFFFAOYSA-N 0 2 424.685 3.515 20 0 HHADLN C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1cccc(F)c1 ZINC000497788539 1001514257 /nfs/dbraw/zinc/51/42/57/1001514257.db2.gz SWUCVYIMMSQREW-LBPRGKRZSA-N 0 2 420.491 3.610 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc3c(s2)C[C@H](CC)CC3)c1 ZINC000506821529 1001549261 /nfs/dbraw/zinc/54/92/61/1001549261.db2.gz MRWLHHWSBCKQNO-GFCCVEGCSA-N 0 2 424.544 3.644 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cc(Br)ccc2F)s1)c1ccsc1 ZINC000506823348 1001550265 /nfs/dbraw/zinc/55/02/65/1001550265.db2.gz XERBAJJGZHFCEV-UHFFFAOYSA-N 0 2 420.310 3.969 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2C(F)(F)F)c1 ZINC000506824347 1001550596 /nfs/dbraw/zinc/55/05/96/1001550596.db2.gz XOTPSZIFLGWTQN-UHFFFAOYSA-N 0 2 421.368 3.831 20 0 HHADLN COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cc(C)ccc1Br ZINC000498009743 1001602956 /nfs/dbraw/zinc/60/29/56/1001602956.db2.gz UVWNBYBZTMBXKC-UHFFFAOYSA-N 0 2 413.293 3.525 20 0 HHADLN COc1cc(OC)c(OC)cc1NS(=O)(=O)c1cc(C)ccc1Br ZINC000498020346 1001608162 /nfs/dbraw/zinc/60/81/62/1001608162.db2.gz IZPUQZQNPFHGDV-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC(OCc4ccccc4)CC3)s[nH]2)c1 ZINC000498224145 1001707395 /nfs/dbraw/zinc/70/73/95/1001707395.db2.gz YLXWEBMKDXJJGN-UHFFFAOYSA-N 0 2 424.526 3.849 20 0 HHADLN O=C(CCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000498268117 1001743630 /nfs/dbraw/zinc/74/36/30/1001743630.db2.gz MPXBOTFSGLGZDN-UHFFFAOYSA-N 0 2 405.476 3.654 20 0 HHADLN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1Cl ZINC000507009014 1001762169 /nfs/dbraw/zinc/76/21/69/1001762169.db2.gz UFIJVNKANQHAAE-UHFFFAOYSA-N 0 2 402.303 3.671 20 0 HHADLN CCOC(=O)Cn1ccc2cc(NS(=O)(=O)c3ccc(Cl)cc3F)ccc21 ZINC000498425621 1001856574 /nfs/dbraw/zinc/85/65/74/1001856574.db2.gz MWBQUXAAEWYIOZ-UHFFFAOYSA-N 0 2 410.854 3.798 20 0 HHADLN O=S(=O)(Nc1cccnc1OCC(F)F)c1cc(C(F)(F)F)ccc1F ZINC000498496769 1001921427 /nfs/dbraw/zinc/92/14/27/1001921427.db2.gz UELLRCFJCSIFEZ-UHFFFAOYSA-N 0 2 400.300 3.684 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCCc2ccccc2C1 ZINC000498553249 1001968879 /nfs/dbraw/zinc/96/88/79/1001968879.db2.gz FBTSPMMWCFTPGR-UHFFFAOYSA-N 0 2 413.524 3.533 20 0 HHADLN COc1cc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)cc(OC)c1Br ZINC000507408133 1002054322 /nfs/dbraw/zinc/05/43/22/1002054322.db2.gz YGXPSTFYDJDAOZ-UHFFFAOYSA-N 0 2 420.288 3.659 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1OC1CCOCC1)c1cnc2ccsc2c1 ZINC000507568417 1002172820 /nfs/dbraw/zinc/17/28/20/1002172820.db2.gz TXDSHTHTSWPPOK-UHFFFAOYSA-N 0 2 408.476 3.794 20 0 HHADLN O=C(Nc1ccc2nn[nH]c2c1)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000507999061 1002527387 /nfs/dbraw/zinc/52/73/87/1002527387.db2.gz JNKKJQYZZTZCEG-LBPRGKRZSA-N 0 2 418.284 3.756 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)cc1Cl ZINC000499151816 1002535365 /nfs/dbraw/zinc/53/53/65/1002535365.db2.gz AYPGJJOOMRMPEV-UHFFFAOYSA-N 0 2 401.275 3.544 20 0 HHADLN Cc1nc(-c2cccc(NS(=O)(=O)c3cnc4c(Cl)c(C)nn4c3)c2)cs1 ZINC000499168288 1002553477 /nfs/dbraw/zinc/55/34/77/1002553477.db2.gz OPNPCBZVFIZMFU-UHFFFAOYSA-N 0 2 419.919 3.924 20 0 HHADLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)ccc2C(F)(F)F)c1 ZINC000508068730 1002590119 /nfs/dbraw/zinc/59/01/19/1002590119.db2.gz OHUZKNDBRNRCMJ-UHFFFAOYSA-N 0 2 423.796 3.955 20 0 HHADLN CCCCCOc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000508083920 1002605979 /nfs/dbraw/zinc/60/59/79/1002605979.db2.gz LCYAJVMPDQZYCZ-UHFFFAOYSA-N 0 2 400.504 3.696 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)CSCC2)c1cc(F)ccc1Br ZINC000508087493 1002610505 /nfs/dbraw/zinc/61/05/05/1002610505.db2.gz WQRUTLBPMOAFKY-UHFFFAOYSA-N 0 2 409.327 3.635 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(F)(F)F)cc1OC ZINC000508090904 1002614333 /nfs/dbraw/zinc/61/43/33/1002614333.db2.gz YNRHPXYDWKHUHS-UHFFFAOYSA-N 0 2 423.796 3.955 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccccn2)s1)c1ccc(Br)s1 ZINC000508092792 1002616182 /nfs/dbraw/zinc/61/61/82/1002616182.db2.gz BFUXOEMSDXEFBJ-UHFFFAOYSA-N 0 2 402.320 3.830 20 0 HHADLN CN1C(=O)CC[C@@H](C(=O)Nc2ccc3nn[nH]c3c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000508092651 1002616383 /nfs/dbraw/zinc/61/63/83/1002616383.db2.gz GIVITULQZURIMQ-RDTXWAMCSA-N 0 2 417.391 3.525 20 0 HHADLN CCOc1cccc(S(=O)(=O)Nc2nnc(-c3cccc(OC(F)F)c3)o2)c1 ZINC000508097722 1002622764 /nfs/dbraw/zinc/62/27/64/1002622764.db2.gz UWSHKYFQBRKDKA-UHFFFAOYSA-N 0 2 411.386 3.538 20 0 HHADLN O=C1Cc2cc(S(=O)(=O)Nc3ccc4c(Cl)cccc4n3)cc3c2N1CCC3 ZINC000508114466 1002643147 /nfs/dbraw/zinc/64/31/47/1002643147.db2.gz CRBMINVBYDJMJR-UHFFFAOYSA-N 0 2 413.886 3.524 20 0 HHADLN O=S(=O)(Cc1ccc(Br)cc1)Nc1ncc(-c2cccnc2)s1 ZINC000508115374 1002644118 /nfs/dbraw/zinc/64/41/18/1002644118.db2.gz IBMSVVPCHNBHGC-UHFFFAOYSA-N 0 2 410.318 3.910 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)F)c2)o1)c1cc(F)c(F)c(F)c1 ZINC000508121020 1002649695 /nfs/dbraw/zinc/64/96/95/1002649695.db2.gz WFMNGHCQMNDNHZ-UHFFFAOYSA-N 0 2 421.303 3.556 20 0 HHADLN CSc1cccc(S(=O)(=O)Nc2nnc(-c3cccc(OC(F)F)c3)o2)c1 ZINC000508128700 1002659409 /nfs/dbraw/zinc/65/94/09/1002659409.db2.gz PUELHTQQVIUKTL-UHFFFAOYSA-N 0 2 413.427 3.861 20 0 HHADLN Cc1ccc(Cl)c2sc(NS(=O)(=O)c3ccccc3Cn3cncn3)nc21 ZINC000508142167 1002676094 /nfs/dbraw/zinc/67/60/94/1002676094.db2.gz JUIOWHCYDBDMEC-UHFFFAOYSA-N 0 2 419.919 3.699 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)c1C1CC1 ZINC000499274282 1002680738 /nfs/dbraw/zinc/68/07/38/1002680738.db2.gz QLQKOEQLWRNJPF-JTQLQIEISA-N 0 2 408.915 3.537 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc(Oc4ccccn4)cc3)cnc2c1Cl ZINC000499281221 1002691784 /nfs/dbraw/zinc/69/17/84/1002691784.db2.gz ARKLRYFKYPJVAM-UHFFFAOYSA-N 0 2 415.862 3.679 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(Br)c(F)c1 ZINC000508220834 1002750757 /nfs/dbraw/zinc/75/07/57/1002750757.db2.gz FBJQSHYHGZNXEY-UHFFFAOYSA-N 0 2 416.203 3.578 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc3cc(F)c(C)cc3s2)c1 ZINC000508221316 1002750990 /nfs/dbraw/zinc/75/09/90/1002750990.db2.gz GXVDOQNBUCJLNT-UHFFFAOYSA-N 0 2 408.476 3.650 20 0 HHADLN CO[C@H]1CCC[C@H](Oc2ccnc(NS(=O)(=O)c3csc4ccccc43)n2)C1 ZINC000508224978 1002753763 /nfs/dbraw/zinc/75/37/63/1002753763.db2.gz RRNSNRHOKWJCSC-KBPBESRZSA-N 0 2 419.528 3.829 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)c3ncccc23)c1 ZINC000508226121 1002754177 /nfs/dbraw/zinc/75/41/77/1002754177.db2.gz XEVNPWRBUKJMHB-UHFFFAOYSA-N 0 2 400.456 3.529 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(OCC(F)(F)F)cc1 ZINC000508251959 1002773284 /nfs/dbraw/zinc/77/32/84/1002773284.db2.gz YYWVWKMJJBSRQQ-UHFFFAOYSA-N 0 2 417.340 3.618 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](c3ccccc3)c3ccccn3)=N2)cc1 ZINC000499582341 1002959409 /nfs/dbraw/zinc/95/94/09/1002959409.db2.gz BSFQJNDIDDMUQD-OAQYLSRUSA-N 0 2 400.438 3.501 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CC=C(c4cccc(OC)c4)CC3)=N2)cc1 ZINC000499713659 1003062985 /nfs/dbraw/zinc/06/29/85/1003062985.db2.gz OTSHRSDKOCUTEJ-UHFFFAOYSA-N 0 2 405.454 3.525 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000508621773 1003074049 /nfs/dbraw/zinc/07/40/49/1003074049.db2.gz QBKJAWABSLNFCV-RZAIGCCYSA-N 0 2 424.881 3.643 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC(Oc4ccc(C)c(C)c4)CC3)=N2)cc1 ZINC000499748765 1003092970 /nfs/dbraw/zinc/09/29/70/1003092970.db2.gz IGHBRRQBYPRTRH-UHFFFAOYSA-N 0 2 421.497 3.887 20 0 HHADLN CN(CCCOc1ccc(Cl)cc1)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499796830 1003132310 /nfs/dbraw/zinc/13/23/10/1003132310.db2.gz HTIMZJYBWWSWMK-UHFFFAOYSA-N 0 2 403.841 3.912 20 0 HHADLN CN(Cc1csc(Br)c1)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499870391 1003207202 /nfs/dbraw/zinc/20/72/02/1003207202.db2.gz MOSFFMMWKZFPOZ-UHFFFAOYSA-N 0 2 410.268 3.813 20 0 HHADLN O=C(NC1(c2ccc(Cl)cc2)CCOCC1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499913670 1003242232 /nfs/dbraw/zinc/24/22/32/1003242232.db2.gz JVJJNVIVMGJIPD-UHFFFAOYSA-N 0 2 415.852 3.806 20 0 HHADLN COc1ccccc1-c1n[nH]c(NC(=O)c2csc(CCc3ccccc3)n2)n1 ZINC000500170948 1003522556 /nfs/dbraw/zinc/52/25/56/1003522556.db2.gz WSZOLONWBXKEJX-UHFFFAOYSA-N 0 2 405.483 3.974 20 0 HHADLN Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NS(=O)(=O)c1cccc2c1OCO2 ZINC000509067449 1003529242 /nfs/dbraw/zinc/52/92/42/1003529242.db2.gz PBPJMZWXHZKDTB-OAHLLOKOSA-N 0 2 416.499 3.539 20 0 HHADLN COc1ccc(Br)cc1NS(=O)(=O)c1cc(C)cc(C)c1OC ZINC000509073808 1003533658 /nfs/dbraw/zinc/53/36/58/1003533658.db2.gz DUBFHKJDKFFXDD-UHFFFAOYSA-N 0 2 400.294 3.884 20 0 HHADLN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cccc3c2OCO3)cc1Cl ZINC000509074068 1003534608 /nfs/dbraw/zinc/53/46/08/1003534608.db2.gz GHTZTKVAENLLDR-UHFFFAOYSA-N 0 2 424.906 3.788 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1cccc2c1OCO2)c1ccco1 ZINC000509090861 1003545028 /nfs/dbraw/zinc/54/50/28/1003545028.db2.gz WTAUGKCYJISLSJ-UHFFFAOYSA-N 0 2 420.830 3.715 20 0 HHADLN C[S@](=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)cc1 ZINC000509090924 1003545060 /nfs/dbraw/zinc/54/50/60/1003545060.db2.gz UIYOEOQTKXHPKU-FQEVSTJZSA-N 0 2 408.726 3.641 20 0 HHADLN O=C(Nc1cccc(NS(=O)(=O)c2cc(Br)ccc2F)c1)C1CC1 ZINC000500313502 1003617422 /nfs/dbraw/zinc/61/74/22/1003617422.db2.gz UHLVALKHFGNJBM-UHFFFAOYSA-N 0 2 413.268 3.738 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CC[C@@H](Oc4ccccc4Cl)C3)=N2)cc1 ZINC000500331485 1003629946 /nfs/dbraw/zinc/62/99/46/1003629946.db2.gz PWTDMPCDGKUZSP-MRXNPFEDSA-N 0 2 413.861 3.533 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000509219336 1003632506 /nfs/dbraw/zinc/63/25/06/1003632506.db2.gz RVEZESYTVUKADZ-UHFFFAOYSA-N 0 2 409.920 3.707 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000509220253 1003633703 /nfs/dbraw/zinc/63/37/03/1003633703.db2.gz WUQNMKYGZOCSDX-UHFFFAOYSA-N 0 2 409.577 3.801 20 0 HHADLN Cc1nn(C)c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)c1C ZINC000500501270 1003749507 /nfs/dbraw/zinc/74/95/07/1003749507.db2.gz ULDYMOBLJQZULH-UHFFFAOYSA-N 0 2 412.231 3.619 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)c1 ZINC000509374167 1003801452 /nfs/dbraw/zinc/80/14/52/1003801452.db2.gz GIQMTRXFNXQJCW-UHFFFAOYSA-N 0 2 402.850 3.564 20 0 HHADLN CCc1oncc1NS(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000509391701 1003821937 /nfs/dbraw/zinc/82/19/37/1003821937.db2.gz KVLLQZWLSOQWRF-UHFFFAOYSA-N 0 2 424.114 3.871 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2C)c(Cl)c1 ZINC000509393381 1003824367 /nfs/dbraw/zinc/82/43/67/1003824367.db2.gz YDSDXOGWGSDGEK-UHFFFAOYSA-N 0 2 408.785 3.650 20 0 HHADLN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)C1 ZINC000511958446 1003920530 /nfs/dbraw/zinc/92/05/30/1003920530.db2.gz AMYLTMYNGLUKJN-OCCSQVGLSA-N 0 2 406.939 3.504 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NC3CCN(c4nccs4)CC3)=N2)cc1 ZINC000500723360 1003921780 /nfs/dbraw/zinc/92/17/80/1003921780.db2.gz AYBYDUMQHNLLEB-UHFFFAOYSA-N 0 2 411.531 3.557 20 0 HHADLN CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000511967192 1003925318 /nfs/dbraw/zinc/92/53/18/1003925318.db2.gz IQUKUCXNIRJXMR-UHFFFAOYSA-N 0 2 418.501 3.549 20 0 HHADLN O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1OC(F)F)N1CCCC1 ZINC000509551924 1003940108 /nfs/dbraw/zinc/94/01/08/1003940108.db2.gz DCAJWMULPMBACU-UHFFFAOYSA-N 0 2 411.430 3.717 20 0 HHADLN Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000509569025 1003950754 /nfs/dbraw/zinc/95/07/54/1003950754.db2.gz MLMCAGXTAGGWEX-UHFFFAOYSA-N 0 2 412.515 3.635 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2ccccc2N(C)C(C)C)c1 ZINC000500821296 1003981333 /nfs/dbraw/zinc/98/13/33/1003981333.db2.gz DSWJFPIZLUQEKT-UHFFFAOYSA-N 0 2 424.494 3.656 20 0 HHADLN CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc(Cl)ccc2C(=O)OC)c1 ZINC000509614852 1003982017 /nfs/dbraw/zinc/98/20/17/1003982017.db2.gz SRHBAQKANXEYOJ-UHFFFAOYSA-N 0 2 410.879 3.584 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)c(Cl)c1 ZINC000509616494 1003983073 /nfs/dbraw/zinc/98/30/73/1003983073.db2.gz GHSSQFJXVSBNHV-UHFFFAOYSA-N 0 2 408.907 3.918 20 0 HHADLN COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2nc3c(ccc(F)c3F)s2)c1 ZINC000500850375 1004001551 /nfs/dbraw/zinc/00/15/51/1004001551.db2.gz AVGFUPLNRSJUTG-UHFFFAOYSA-N 0 2 412.439 3.779 20 0 HHADLN O=C1CCCc2cc(S(=O)(=O)Nc3nc4c(ccc(F)c4F)s3)ccc2N1 ZINC000500853218 1004003045 /nfs/dbraw/zinc/00/30/45/1004003045.db2.gz RZZKKMQRTYOHNR-UHFFFAOYSA-N 0 2 409.439 3.650 20 0 HHADLN COC(=O)c1nccc2c1cccc2S(=O)(=O)Nc1nc2c(cccc2C)s1 ZINC000500861505 1004008630 /nfs/dbraw/zinc/00/86/30/1004008630.db2.gz VXEVJLMXEIPBQU-UHFFFAOYSA-N 0 2 413.480 3.740 20 0 HHADLN O=S(=O)(Nc1cccc(Cl)c1N1CCOCC1)c1ccccc1OC(F)F ZINC000509661539 1004011977 /nfs/dbraw/zinc/01/19/77/1004011977.db2.gz PIGWFSHWAANZTL-UHFFFAOYSA-N 0 2 418.849 3.579 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)c(Cl)c1 ZINC000509666142 1004014767 /nfs/dbraw/zinc/01/47/67/1004014767.db2.gz OMHJEBHGMAUFMY-UHFFFAOYSA-N 0 2 409.769 3.826 20 0 HHADLN CC(C)n1c2ccccc2nc1[C@H]1CCCN1C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000512110572 1004030030 /nfs/dbraw/zinc/03/00/30/1004030030.db2.gz UMJUQUSPLLQQRW-GOSISDBHSA-N 0 2 404.474 3.582 20 0 HHADLN O=C(NC1CC(c2ccccc2)C1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000500937644 1004064294 /nfs/dbraw/zinc/06/42/94/1004064294.db2.gz NGPKAKDDFOEAAZ-UHFFFAOYSA-N 0 2 413.524 3.620 20 0 HHADLN Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000512198032 1004099016 /nfs/dbraw/zinc/09/90/16/1004099016.db2.gz QXKNGIITJWBFJU-CYBMUJFWSA-N 0 2 407.499 3.939 20 0 HHADLN COC(=O)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ccsc1 ZINC000510007037 1004260545 /nfs/dbraw/zinc/26/05/45/1004260545.db2.gz KTUAFQYYWKJZED-LBPRGKRZSA-N 0 2 413.826 3.613 20 0 HHADLN CC[C@@H]1CN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)C[C@@H](C)[S@]1=O ZINC000512422321 1004288168 /nfs/dbraw/zinc/28/81/68/1004288168.db2.gz ZCRFFBOPCSKVRX-WQBIBCECSA-N 0 2 419.547 3.522 20 0 HHADLN Cc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000510125900 1004342097 /nfs/dbraw/zinc/34/20/97/1004342097.db2.gz WDSBMRIUZWKFRL-UHFFFAOYSA-N 0 2 400.330 3.568 20 0 HHADLN O=C(c1cccc(OCc2cccc(Cl)c2)c1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510287752 1004453371 /nfs/dbraw/zinc/45/33/71/1004453371.db2.gz MGSPVSLDAYYWNV-INIZCTEOSA-N 0 2 412.877 3.763 20 0 HHADLN O=C(CSc1cccc2cccc(Cl)c21)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510297268 1004459699 /nfs/dbraw/zinc/45/96/99/1004459699.db2.gz JJGIQCTYRCZLDC-ZDUSSCGKSA-N 0 2 402.907 3.815 20 0 HHADLN O=c1[nH]c2ccccc2cc1CNc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000512651845 1004463392 /nfs/dbraw/zinc/46/33/92/1004463392.db2.gz CRTQAXYKZHXIGB-UHFFFAOYSA-N 0 2 412.496 3.810 20 0 HHADLN COc1ccc2c(c1)C[C@H](Nc1cccc(S(=O)(=O)Nc3nccs3)c1)CC2 ZINC000512658151 1004469389 /nfs/dbraw/zinc/46/93/89/1004469389.db2.gz OIEYLVFOEACUSY-QGZVFWFLSA-N 0 2 415.540 3.922 20 0 HHADLN CN1c2ccc(S(=O)(=O)Nc3cnc(-c4ccccc4)nc3)c3cccc(c23)C1=O ZINC000512781199 1004556788 /nfs/dbraw/zinc/55/67/88/1004556788.db2.gz NNFFAQXCTNGOBD-UHFFFAOYSA-N 0 2 416.462 3.688 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN4CC[C@@H](COC(F)F)C4)nc(=O)c3s2)cc1 ZINC000512818272 1004578502 /nfs/dbraw/zinc/57/85/02/1004578502.db2.gz QYEIQOTUTVECML-GFCCVEGCSA-N 0 2 421.469 3.721 20 0 HHADLN O=C(Nc1cccc(Cl)c1)c1ccccc1NS(=O)(=O)c1cncc(F)c1 ZINC000501805390 1004746966 /nfs/dbraw/zinc/74/69/66/1004746966.db2.gz XCOCQSWVVYDROR-UHFFFAOYSA-N 0 2 405.838 3.927 20 0 HHADLN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000501981392 1004844590 /nfs/dbraw/zinc/84/45/90/1004844590.db2.gz DAGUWONPQLSTGK-QGZVFWFLSA-N 0 2 406.269 3.866 20 0 HHADLN CCOc1ccc(-n2c(SCc3n[nH]c(=O)[nH]3)nnc2-c2cccc(C)c2)cc1 ZINC000513255049 1004881847 /nfs/dbraw/zinc/88/18/47/1004881847.db2.gz DGUHNNWCIXSEGT-UHFFFAOYSA-N 0 2 408.487 3.757 20 0 HHADLN O=C(CCNS(=O)(=O)c1ccccc1Cl)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000502097996 1004901918 /nfs/dbraw/zinc/90/19/18/1004901918.db2.gz NLZKELSINCNLEZ-UHFFFAOYSA-N 0 2 423.705 3.660 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1F ZINC000513419932 1004957072 /nfs/dbraw/zinc/95/70/72/1004957072.db2.gz GTJQLEDPVWBYLP-UHFFFAOYSA-N 0 2 400.479 3.920 20 0 HHADLN O=S(=O)(NCC1(C(F)(F)F)CCC1)c1cc(F)c(Br)cc1F ZINC000511368512 1005141864 /nfs/dbraw/zinc/14/18/64/1005141864.db2.gz ZJPNGDQRCJPWBS-UHFFFAOYSA-N 0 2 408.186 3.738 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000502736201 1005195743 /nfs/dbraw/zinc/19/57/43/1005195743.db2.gz FSPWSDBCHKXSJJ-UHFFFAOYSA-N 0 2 422.897 3.743 20 0 HHADLN CCc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1F ZINC000502907918 1005269881 /nfs/dbraw/zinc/26/98/81/1005269881.db2.gz VPHITDOYILBDBG-UHFFFAOYSA-N 0 2 405.476 3.898 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C(C)(C)C)cc1C(N)=O ZINC000503965112 1005521336 /nfs/dbraw/zinc/52/13/36/1005521336.db2.gz WOQNRYRYKLPPGC-UHFFFAOYSA-N 0 2 412.515 3.513 20 0 HHADLN O=C1CCOc2c(NS(=O)(=O)c3cc(Br)ccc3Cl)cccc21 ZINC000504044725 1005539702 /nfs/dbraw/zinc/53/97/02/1005539702.db2.gz USPRSORHNPOMJP-UHFFFAOYSA-N 0 2 416.680 3.869 20 0 HHADLN O=S(=O)(Nc1ccc2nccnc2c1)c1c(Cl)cc(F)cc1Br ZINC000504260257 1005584515 /nfs/dbraw/zinc/58/45/15/1005584515.db2.gz NCYJCNAWYQJKEZ-UHFFFAOYSA-N 0 2 416.659 3.986 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c(C)c1C ZINC000531212333 1006051061 /nfs/dbraw/zinc/05/10/61/1006051061.db2.gz LYVCQVURIDFZKV-UHFFFAOYSA-N 0 2 407.492 3.694 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCC(CC(=O)N4CCCC4)CC3)=N2)c1 ZINC000531225947 1006057991 /nfs/dbraw/zinc/05/79/91/1006057991.db2.gz ADZIGFXCJBKHBY-UHFFFAOYSA-N 0 2 424.545 3.566 20 0 HHADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1cc(C(C)(C)C)ccc1O ZINC000534144443 1006123897 /nfs/dbraw/zinc/12/38/97/1006123897.db2.gz GUQRJLAZAIEGEA-UHFFFAOYSA-N 0 2 418.515 3.848 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000514884361 1006185560 /nfs/dbraw/zinc/18/55/60/1006185560.db2.gz MBGTULUQDKZKMM-UHFFFAOYSA-N 0 2 421.849 3.810 20 0 HHADLN CCc1ccc2nc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)sc2c1 ZINC000534206679 1006199853 /nfs/dbraw/zinc/19/98/53/1006199853.db2.gz IJAZHXCEAJIAQP-UHFFFAOYSA-N 0 2 401.513 3.786 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3cc(OC)ccc3Cl)s2)cc1 ZINC000534207485 1006200493 /nfs/dbraw/zinc/20/04/93/1006200493.db2.gz YJPOUGSIKPBIFK-UHFFFAOYSA-N 0 2 411.892 3.677 20 0 HHADLN CC[C@@H]1CN(C(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)[C@H](CC)CN1C(C)=O ZINC000531464072 1006213771 /nfs/dbraw/zinc/21/37/71/1006213771.db2.gz ZXMSIDVOBXKWCQ-RTBURBONSA-N 0 2 412.534 3.563 20 0 HHADLN Cn1cnnc1-c1ccnc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)c1 ZINC000534239929 1006246255 /nfs/dbraw/zinc/24/62/55/1006246255.db2.gz DWUGHFLKPMCKKH-UHFFFAOYSA-N 0 2 405.439 3.577 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1nnc(Cc2ccccc2Cl)o1 ZINC000515034363 1006262824 /nfs/dbraw/zinc/26/28/24/1006262824.db2.gz JTYYAIZVYRVDAJ-UHFFFAOYSA-N 0 2 409.899 3.509 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccc2Br)c1)c1cccc(F)c1F ZINC000534400051 1006375928 /nfs/dbraw/zinc/37/59/28/1006375928.db2.gz BSBSCOGIHMMBIU-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ccccc1OCCOc1ccccc1 ZINC000534435675 1006411614 /nfs/dbraw/zinc/41/16/14/1006411614.db2.gz DPQQHSIWSLIHPX-UHFFFAOYSA-N 0 2 418.478 3.732 20 0 HHADLN Cc1nn(-c2ccccc2)c2sc(C(=O)N=c3nc(-c4cccnc4)[nH]s3)cc12 ZINC000534438189 1006415152 /nfs/dbraw/zinc/41/51/52/1006415152.db2.gz WOIPPCYPLYDTGZ-UHFFFAOYSA-N 0 2 418.507 3.983 20 0 HHADLN CCCN(CCC)C(=O)c1cccc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c1 ZINC000534442450 1006421739 /nfs/dbraw/zinc/42/17/39/1006421739.db2.gz ZCTZZWUEKISUQK-UHFFFAOYSA-N 0 2 409.515 3.537 20 0 HHADLN O=c1c2cc(NS(=O)(=O)c3cc(Cl)sc3Cl)ccc2nc2n1CCC2 ZINC000515452692 1006473732 /nfs/dbraw/zinc/47/37/32/1006473732.db2.gz XQWSBAOYGJXSJP-UHFFFAOYSA-N 0 2 416.311 3.512 20 0 HHADLN C[C@H](Oc1ccc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cn1)c1ccccc1 ZINC000534494660 1006491958 /nfs/dbraw/zinc/49/19/58/1006491958.db2.gz SHNVOCWVWSQPLN-AWEZNQCLSA-N 0 2 403.467 3.809 20 0 HHADLN O=S(=O)(Nc1cccc(-c2cc[nH]n2)c1)c1cc(F)c(Br)cc1F ZINC000534495577 1006493562 /nfs/dbraw/zinc/49/35/62/1006493562.db2.gz DRAWLWSHDRUWON-UHFFFAOYSA-N 0 2 414.231 3.918 20 0 HHADLN C[C@@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 ZINC000532156509 1006680704 /nfs/dbraw/zinc/68/07/04/1006680704.db2.gz BMAIGANNKUJZBA-WBMJQRKESA-N 0 2 417.512 3.590 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(CC(C)(C)C)cs3)cc2C[C@@H]1C ZINC000538454761 1006723818 /nfs/dbraw/zinc/72/38/18/1006723818.db2.gz OLEPQPSZNYODPR-LBPRGKRZSA-N 0 2 407.561 3.830 20 0 HHADLN Cc1cc(NS(=O)(=O)C[C@H]2CCCCO2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000538497287 1006765086 /nfs/dbraw/zinc/76/50/86/1006765086.db2.gz MKGWJJJSYBHRIO-CYBMUJFWSA-N 0 2 404.319 3.798 20 0 HHADLN CCCOc1cc(C)ccc1NS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC ZINC000534882214 1006909984 /nfs/dbraw/zinc/90/99/84/1006909984.db2.gz ORXNCKIUUHPBDL-UHFFFAOYSA-N 0 2 418.515 3.942 20 0 HHADLN CC1(C)Cc2nc(NS(=O)(=O)c3ccc(OC(F)F)c(F)c3)sc2C(=O)C1 ZINC000516146170 1006917537 /nfs/dbraw/zinc/91/75/37/1006917537.db2.gz YFWCEZPESMCOCP-UHFFFAOYSA-N 0 2 420.434 3.840 20 0 HHADLN COc1ccc(Br)cc1CN(C)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000532550774 1006981244 /nfs/dbraw/zinc/98/12/44/1006981244.db2.gz IEBXRBSLQAHABC-UHFFFAOYSA-N 0 2 413.341 3.693 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)cn1 ZINC000534973409 1007030751 /nfs/dbraw/zinc/03/07/51/1007030751.db2.gz QLDMFJKNAPRAOJ-UHFFFAOYSA-N 0 2 418.224 3.952 20 0 HHADLN CCc1ncc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cn1 ZINC000532611797 1007039314 /nfs/dbraw/zinc/03/93/14/1007039314.db2.gz CPAUUVXEMSEVEK-UHFFFAOYSA-N 0 2 410.215 3.621 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ncc(Br)cc2C)c2cccnc12 ZINC000532614726 1007041501 /nfs/dbraw/zinc/04/15/01/1007041501.db2.gz GTNNEYSOQCHDIN-UHFFFAOYSA-N 0 2 408.277 3.510 20 0 HHADLN COC(=O)CCSc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000535136589 1007175797 /nfs/dbraw/zinc/17/57/97/1007175797.db2.gz CRIWZLZMWGQGAZ-UHFFFAOYSA-N 0 2 405.419 3.560 20 0 HHADLN COc1cc(-n2cccc2)c(Cl)cc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535172619 1007215619 /nfs/dbraw/zinc/21/56/19/1007215619.db2.gz IIONATGKXRWYQO-UHFFFAOYSA-N 0 2 411.874 3.727 20 0 HHADLN CC(C)(C(=O)N=c1nc(-c2cccnc2)[nH]s1)c1ccc(Br)cc1 ZINC000535176192 1007221239 /nfs/dbraw/zinc/22/12/39/1007221239.db2.gz XPHQAUBBNLCBFL-UHFFFAOYSA-N 0 2 403.305 3.701 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1csc(Cc2cccc(F)c2)n1 ZINC000516790019 1007290384 /nfs/dbraw/zinc/29/03/84/1007290384.db2.gz KXQWSZQTHVOEQM-UHFFFAOYSA-N 0 2 409.446 3.924 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N(Cc3ccncc3)C[C@H]3CCCO3)=N2)c1 ZINC000516855636 1007323128 /nfs/dbraw/zinc/32/31/28/1007323128.db2.gz HMXKNXXSDWXWRT-OAQYLSRUSA-N 0 2 420.513 3.918 20 0 HHADLN COc1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)ccc1Cl ZINC000535377046 1007440477 /nfs/dbraw/zinc/44/04/77/1007440477.db2.gz RJCJZQZKEHJSJV-UHFFFAOYSA-N 0 2 423.903 3.858 20 0 HHADLN CCOC(=O)c1cc2cc(NS(=O)(=O)c3cc(C(=O)OC)oc3C)ccc2s1 ZINC000533166355 1007504266 /nfs/dbraw/zinc/50/42/66/1007504266.db2.gz BSTDRWRLVCDUFP-UHFFFAOYSA-N 0 2 423.468 3.567 20 0 HHADLN O=S(=O)(Nc1nnc(SCc2cccs2)s1)c1cncc(Cl)c1 ZINC000533177557 1007518731 /nfs/dbraw/zinc/51/87/31/1007518731.db2.gz VEQBQJKENJOZFA-UHFFFAOYSA-N 0 2 404.951 3.741 20 0 HHADLN Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)c2C)o1 ZINC000533229606 1007551439 /nfs/dbraw/zinc/55/14/39/1007551439.db2.gz QNSRGCYLZFJNTK-UHFFFAOYSA-N 0 2 408.439 3.806 20 0 HHADLN Cn1c2ccc([N-]S(=O)(=O)c3cnn(-c4ccccc4)c3)cc2[nH+]c1C(C)(C)C ZINC000535506153 1007561812 /nfs/dbraw/zinc/56/18/12/1007561812.db2.gz AEJFXHPQVGGMRH-UHFFFAOYSA-N 0 2 409.515 3.857 20 0 HHADLN COc1ccc(-c2noc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1 ZINC000533310783 1007626197 /nfs/dbraw/zinc/62/61/97/1007626197.db2.gz KCTHZWJKOJIEMT-UHFFFAOYSA-N 0 2 414.468 3.670 20 0 HHADLN CCC(=O)c1cccc(S(=O)(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c1 ZINC000533311116 1007626208 /nfs/dbraw/zinc/62/62/08/1007626208.db2.gz TYPIXOGJMQWFSM-UHFFFAOYSA-N 0 2 405.476 3.662 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)c1 ZINC000539399021 1007706194 /nfs/dbraw/zinc/70/61/94/1007706194.db2.gz FUIGEHPAZVRDGK-UHFFFAOYSA-N 0 2 422.846 3.700 20 0 HHADLN Cc1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)n1 ZINC000535691351 1007725744 /nfs/dbraw/zinc/72/57/44/1007725744.db2.gz BRFZSGBAFRMIDE-UHFFFAOYSA-N 0 2 411.199 3.852 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ncc(Cc4ccccc4)s3)cnc2c1Cl ZINC000539466603 1007778500 /nfs/dbraw/zinc/77/85/00/1007778500.db2.gz KRLMYFPERORGAW-UHFFFAOYSA-N 0 2 419.919 3.539 20 0 HHADLN CCCCN(CCOC)C(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000517605573 1007808189 /nfs/dbraw/zinc/80/81/89/1007808189.db2.gz LKPFHKPYKPKBNM-UHFFFAOYSA-N 0 2 410.561 3.746 20 0 HHADLN CC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)n2)cc1 ZINC000517614644 1007819781 /nfs/dbraw/zinc/81/97/81/1007819781.db2.gz PQBILJUSLIREKS-UHFFFAOYSA-N 0 2 410.451 3.523 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccnc2)ns1)c1ccc(Cl)c2ccccc21 ZINC000535893904 1007914235 /nfs/dbraw/zinc/91/42/35/1007914235.db2.gz ZKTAAHPYRWTVEM-UHFFFAOYSA-N 0 2 402.888 3.629 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccc2Br)c1)c1cc(F)ccc1F ZINC000535894890 1007915028 /nfs/dbraw/zinc/91/50/28/1007915028.db2.gz KNMXFRANIKUCDI-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN Cc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)nn1-c1cc(C)cc(C)c1 ZINC000539601066 1007919861 /nfs/dbraw/zinc/91/98/61/1007919861.db2.gz HPWCUXUUTPCLOS-UHFFFAOYSA-N 0 2 407.499 3.780 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCCc2ccncc2C)cc1 ZINC000535911574 1007931519 /nfs/dbraw/zinc/93/15/19/1007931519.db2.gz YHGCHZNZENZVFI-UHFFFAOYSA-N 0 2 415.540 3.533 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ccccc1OCc1ccc(F)cc1 ZINC000535931652 1007958340 /nfs/dbraw/zinc/95/83/40/1007958340.db2.gz UWRCRUPJOJNQBJ-UHFFFAOYSA-N 0 2 406.442 3.992 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@@H](C)c3ccc([S@](C)=O)cc3)=N2)cc1 ZINC000535954121 1007988877 /nfs/dbraw/zinc/98/88/77/1007988877.db2.gz MPNMHSXYNSEBMV-WNNBVUDTSA-N 0 2 411.527 3.930 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc2c(cc(Br)cc2F)[nH]1 ZINC000535986558 1008025808 /nfs/dbraw/zinc/02/58/08/1008025808.db2.gz QNZUEPDQYLCBHP-UHFFFAOYSA-N 0 2 418.251 3.657 20 0 HHADLN Cc1nc(COc2ccccc2C(=O)N=c2nc(-c3cccnc3)[nH]s2)cs1 ZINC000533728988 1008055517 /nfs/dbraw/zinc/05/55/17/1008055517.db2.gz ASWRYGQUOSDPNV-UHFFFAOYSA-N 0 2 409.496 3.618 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)=N1 ZINC000533751846 1008077651 /nfs/dbraw/zinc/07/76/51/1008077651.db2.gz QOKYYPKXLOCFCQ-QGZVFWFLSA-N 0 2 419.460 3.680 20 0 HHADLN COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CCC[C@@H](c4n[nH]c(C)n4)C3)ccc2c1 ZINC000539764115 1008079091 /nfs/dbraw/zinc/07/90/91/1008079091.db2.gz BOQQXPWBZOUWDX-IIBYNOLFSA-N 0 2 421.545 3.501 20 0 HHADLN O=S(=O)(Nc1cccc2c1CN(c1ccccn1)C2)c1cc(F)c(F)cc1F ZINC000533783899 1008106548 /nfs/dbraw/zinc/10/65/48/1008106548.db2.gz OHEIISRQEPJDLA-UHFFFAOYSA-N 0 2 405.401 3.820 20 0 HHADLN O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1cccc(Br)c1O ZINC000518049507 1008128279 /nfs/dbraw/zinc/12/82/79/1008128279.db2.gz HJZULXIRUBKWAD-UHFFFAOYSA-N 0 2 421.316 3.596 20 0 HHADLN Cc1ccc(C)c(S(=O)(=O)Nc2ccnn2Cc2cnn(-c3ccccc3)c2)c1 ZINC000533939383 1008220293 /nfs/dbraw/zinc/22/02/93/1008220293.db2.gz UZYXERQDHXTOIC-UHFFFAOYSA-N 0 2 407.499 3.535 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1cccc(F)c1F ZINC000518260745 1008231041 /nfs/dbraw/zinc/23/10/41/1008231041.db2.gz TUHIRAFQKZRYBI-UHFFFAOYSA-N 0 2 401.797 3.803 20 0 HHADLN Cc1cc(CSc2ncccc2C(=O)N=c2nc(-c3ccsc3)[nH]s2)no1 ZINC000518280824 1008237276 /nfs/dbraw/zinc/23/72/76/1008237276.db2.gz PRRAAWXREXXLMI-UHFFFAOYSA-N 0 2 415.525 3.925 20 0 HHADLN O=C(COc1ccc(Oc2ccccn2)cc1)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000518323921 1008260751 /nfs/dbraw/zinc/26/07/51/1008260751.db2.gz FIZVLGVLDLIJKN-UHFFFAOYSA-N 0 2 405.389 3.816 20 0 HHADLN O=C(CCC(=O)N=c1nc(-c2ccsc2)[nH]s1)CCC(=O)c1cccs1 ZINC000518336691 1008266700 /nfs/dbraw/zinc/26/67/00/1008266700.db2.gz HXXYSTOUCQXSEL-UHFFFAOYSA-N 0 2 405.526 3.701 20 0 HHADLN O=S(=O)(Nc1noc(Cc2ccccc2)n1)c1ccc(C(F)(F)F)c(F)c1 ZINC000518475780 1008321491 /nfs/dbraw/zinc/32/14/91/1008321491.db2.gz GJVPHMZWLCKDNE-UHFFFAOYSA-N 0 2 401.341 3.619 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000518787187 1008420541 /nfs/dbraw/zinc/42/05/41/1008420541.db2.gz RKLSUMKJZQTKDX-UHFFFAOYSA-N 0 2 414.493 3.793 20 0 HHADLN NC(=O)c1cccc(Oc2ccc(NS(=O)(=O)c3cccc(F)c3F)cc2)c1 ZINC000518831965 1008437473 /nfs/dbraw/zinc/43/74/73/1008437473.db2.gz IWBQIOYRCZLLMZ-UHFFFAOYSA-N 0 2 404.394 3.657 20 0 HHADLN Cc1c(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)nnn1-c1ccc(OC(C)C)cc1 ZINC000518852104 1008446252 /nfs/dbraw/zinc/44/62/52/1008446252.db2.gz RCHKOXYQRPIYHC-UHFFFAOYSA-N 0 2 421.436 3.539 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)c(C)c1 ZINC000518857626 1008448543 /nfs/dbraw/zinc/44/85/43/1008448543.db2.gz OLYAOTPTYPKZIU-UHFFFAOYSA-N 0 2 424.478 3.579 20 0 HHADLN Cc1ccc(Cn2nccc2NS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)o1 ZINC000518858362 1008449006 /nfs/dbraw/zinc/44/90/06/1008449006.db2.gz UBYWWEDAFXZJAL-UHFFFAOYSA-N 0 2 416.503 3.618 20 0 HHADLN COc1cn(-c2ccccc2)nc1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000518899003 1008465209 /nfs/dbraw/zinc/46/52/09/1008465209.db2.gz NKCYYDZLEBFLCT-UHFFFAOYSA-N 0 2 411.874 3.727 20 0 HHADLN CC(=O)N[C@H](CC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc(C)cc1 ZINC000518900583 1008465759 /nfs/dbraw/zinc/46/57/59/1008465759.db2.gz CAVJHMJMCCOPTH-QGZVFWFLSA-N 0 2 414.918 3.795 20 0 HHADLN CCn1c(-c2ccc(Cl)cc2)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000549039495 1008607147 /nfs/dbraw/zinc/60/71/47/1008607147.db2.gz DSRRLDRWIWLQKX-UHFFFAOYSA-N 0 2 400.895 3.965 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ncc(Cc4ccccc4)s3)cc12 ZINC000545857947 1008944709 /nfs/dbraw/zinc/94/47/09/1008944709.db2.gz XPMXLAQPAPHGDT-UHFFFAOYSA-N 0 2 400.485 3.633 20 0 HHADLN Cc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cc1NC(=O)c1ccco1 ZINC000519665790 1008950178 /nfs/dbraw/zinc/95/01/78/1008950178.db2.gz XAUVKASTOGEWSU-UHFFFAOYSA-N 0 2 403.398 3.583 20 0 HHADLN C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000546092972 1009118318 /nfs/dbraw/zinc/11/83/18/1009118318.db2.gz VQXOVXJWIAHKBS-QWHCGFSZSA-N 0 2 400.422 3.870 20 0 HHADLN O=S(=O)(N[C@@H](c1nccs1)C(F)(F)F)c1csc(-c2ccccc2)n1 ZINC000549525644 1009134214 /nfs/dbraw/zinc/13/42/14/1009134214.db2.gz LTNAIJGMXZUUMF-NSHDSACASA-N 0 2 405.448 3.849 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(Cc2nc(C(C)C)no2)cc1 ZINC000549554692 1009172000 /nfs/dbraw/zinc/17/20/00/1009172000.db2.gz MZJKNSSFAYICCN-UHFFFAOYSA-N 0 2 417.487 3.602 20 0 HHADLN CS(=O)(=O)c1c(Cl)cccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000546170107 1009202364 /nfs/dbraw/zinc/20/23/64/1009202364.db2.gz CZLPVXYIXBTIDD-UHFFFAOYSA-N 0 2 414.719 3.851 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCc3cccc(OCC(F)F)c3)s[nH]2)c1 ZINC000543613786 1009217802 /nfs/dbraw/zinc/21/78/02/1009217802.db2.gz MTTDLBDUDRKXPI-UHFFFAOYSA-N 0 2 420.441 3.601 20 0 HHADLN CC(C)c1cnc(NS(=O)(=O)c2cc(Br)cc3c2OCC3)s1 ZINC000543640961 1009244909 /nfs/dbraw/zinc/24/49/09/1009244909.db2.gz CCYUOXGYDCPNSI-UHFFFAOYSA-N 0 2 403.323 3.765 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-n3cncn3)c(F)c2)c1Cl ZINC000520102002 1009259938 /nfs/dbraw/zinc/25/99/38/1009259938.db2.gz MQGOAYNLRRILKI-UHFFFAOYSA-N 0 2 401.250 3.822 20 0 HHADLN O=C(COc1ccc(Oc2ccccn2)cc1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000520222689 1009349835 /nfs/dbraw/zinc/34/98/35/1009349835.db2.gz VVZUAZDVCIDZCR-UHFFFAOYSA-N 0 2 410.480 3.893 20 0 HHADLN COc1cc(C(=O)N2CCC[C@H](C3N=NC(=O)O3)C2)cc(Cl)c1OCCC(C)C ZINC000549732226 1009355616 /nfs/dbraw/zinc/35/56/16/1009355616.db2.gz GUIKRJVBHZSLAW-ZDUSSCGKSA-N 0 2 423.897 3.882 20 0 HHADLN CC(C)[C@@H]1C[C@H](CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCO1 ZINC000543788125 1009356674 /nfs/dbraw/zinc/35/66/74/1009356674.db2.gz WOUFQPXGBPKEAV-PBHICJAKSA-N 0 2 423.560 3.724 20 0 HHADLN CCC(=O)Nc1ccc(NS(=O)(=O)c2c3ccccc3sc2C(=O)OC)cc1 ZINC000520237856 1009357718 /nfs/dbraw/zinc/35/77/18/1009357718.db2.gz GBZQLIUMYCOGDG-UHFFFAOYSA-N 0 2 418.496 3.837 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccccc2N2CCCC2)cc1Cl ZINC000520285416 1009404692 /nfs/dbraw/zinc/40/46/92/1009404692.db2.gz CIQOSNCPWHKYKC-UHFFFAOYSA-N 0 2 411.886 3.839 20 0 HHADLN COCCOc1c(Cl)cccc1NS(=O)(=O)c1ccccc1-c1ccno1 ZINC000543865182 1009432055 /nfs/dbraw/zinc/43/20/55/1009432055.db2.gz XSHIVFAPOBXDNI-UHFFFAOYSA-N 0 2 408.863 3.821 20 0 HHADLN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000549823966 1009435265 /nfs/dbraw/zinc/43/52/65/1009435265.db2.gz HTDZASFXKAGGTL-VHSXEESVSA-N 0 2 401.319 3.704 20 0 HHADLN Cc1noc(C)c1CO[C@H]1CCN(C(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)C1 ZINC000546577017 1009600032 /nfs/dbraw/zinc/60/00/32/1009600032.db2.gz RJZOSRZVROHTOP-IBGZPJMESA-N 0 2 424.501 3.737 20 0 HHADLN Cn1cc(-c2nc(C(=O)Nc3nc(-c4ccc(C(C)(C)C)cc4)n[nH]3)cs2)cn1 ZINC000550097554 1009700227 /nfs/dbraw/zinc/70/02/27/1009700227.db2.gz SEUQIOLPDFNWTE-UHFFFAOYSA-N 0 2 407.503 3.879 20 0 HHADLN COCCOc1ccc(F)cc1NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000520641562 1009716548 /nfs/dbraw/zinc/71/65/48/1009716548.db2.gz HXYCYXIJLIHMFA-UHFFFAOYSA-N 0 2 424.277 3.967 20 0 HHADLN O=S(=O)(Nc1ncn(C2CCCCC2)n1)c1cc(F)c(Br)cc1F ZINC000546793456 1009758581 /nfs/dbraw/zinc/75/85/81/1009758581.db2.gz MTDSLRNXZIXEPC-UHFFFAOYSA-N 0 2 421.267 3.625 20 0 HHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000546859233 1009821020 /nfs/dbraw/zinc/82/10/20/1009821020.db2.gz IJCGFRSTTMBKPN-QMMMGPOBSA-N 0 2 401.196 3.969 20 0 HHADLN CCc1cc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)nc(C)n1 ZINC000546879607 1009841529 /nfs/dbraw/zinc/84/15/29/1009841529.db2.gz VSOSEUUUBQOGRP-UHFFFAOYSA-N 0 2 421.416 3.565 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)c1 ZINC000546887002 1009847011 /nfs/dbraw/zinc/84/70/11/1009847011.db2.gz PWBMVODAZLLHJG-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN COC(=O)CCSc1ncccc1NS(=O)(=O)c1cccc2ccccc21 ZINC000544404875 1010024114 /nfs/dbraw/zinc/02/41/14/1010024114.db2.gz REGDDLUSZSEUQY-UHFFFAOYSA-N 0 2 402.497 3.691 20 0 HHADLN COc1cccc(C(=O)CCCC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)c1 ZINC000550573401 1010037195 /nfs/dbraw/zinc/03/71/95/1010037195.db2.gz ADWBBAUPTMKWCE-UHFFFAOYSA-N 0 2 411.483 3.636 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ccc(Cl)cc3OC(F)F)cc12 ZINC000547243816 1010189799 /nfs/dbraw/zinc/18/97/99/1010189799.db2.gz CUYNKRWGDYYNAQ-UHFFFAOYSA-N 0 2 403.794 3.841 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ncc(Cc4ccccc4F)s3)cc12 ZINC000547269342 1010215529 /nfs/dbraw/zinc/21/55/29/1010215529.db2.gz LAQPLPNNJHVFMY-UHFFFAOYSA-N 0 2 418.475 3.772 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](C)c3c(F)cccc3OC)s[nH]2)c1 ZINC000544591163 1010217503 /nfs/dbraw/zinc/21/75/03/1010217503.db2.gz RSRQTINMSNDCLV-NSHDSACASA-N 0 2 402.451 3.666 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NC[C@@H]3CCCO[C@H]3C(C)(C)C)s[nH]2)c1 ZINC000544594583 1010220563 /nfs/dbraw/zinc/22/05/63/1010220563.db2.gz QCYYDORQMDPATD-GOEBONIOSA-N 0 2 404.536 3.598 20 0 HHADLN C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3nn(-c4ccccc4F)cc3[O-])n2)C1 ZINC000521233694 1010241080 /nfs/dbraw/zinc/24/10/80/1010241080.db2.gz WFKZDCIDUUZXJG-CYBMUJFWSA-N 0 2 415.494 3.658 20 0 HHADLN C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3nn(-c4ccccc4F)cc3[O-])n2)C1 ZINC000521233694 1010241092 /nfs/dbraw/zinc/24/10/92/1010241092.db2.gz WFKZDCIDUUZXJG-CYBMUJFWSA-N 0 2 415.494 3.658 20 0 HHADLN CC(=O)Nc1ccc2nc(NC(=O)c3cccc(Br)c3O)sc2c1 ZINC000521246497 1010252656 /nfs/dbraw/zinc/25/26/56/1010252656.db2.gz DCQKXBHGPWZEKC-UHFFFAOYSA-N 0 2 406.261 3.975 20 0 HHADLN COc1ccc(COCCNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc1 ZINC000544635679 1010259316 /nfs/dbraw/zinc/25/93/16/1010259316.db2.gz AMBYBZKIYAOYIW-UHFFFAOYSA-N 0 2 418.906 3.627 20 0 HHADLN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000544637527 1010261638 /nfs/dbraw/zinc/26/16/38/1010261638.db2.gz TWNSIKSOJFPKNI-ZDUSSCGKSA-N 0 2 417.926 3.652 20 0 HHADLN COc1cc(CN(C)C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc(OC)c1 ZINC000544636766 1010261687 /nfs/dbraw/zinc/26/16/87/1010261687.db2.gz ARBZQLBOVTXGKJ-UHFFFAOYSA-N 0 2 418.906 3.962 20 0 HHADLN COCCNc1ccc(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1 ZINC000544638494 1010263004 /nfs/dbraw/zinc/26/30/04/1010263004.db2.gz AAQBFXWPWWRUAQ-UHFFFAOYSA-N 0 2 417.922 3.660 20 0 HHADLN COc1ccc([C@@H](CCO)NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc1 ZINC000544638978 1010263871 /nfs/dbraw/zinc/26/38/71/1010263871.db2.gz WQRNXDFUHURTEY-MRXNPFEDSA-N 0 2 418.906 3.534 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(C(C)C)s2)cc1C(F)(F)F ZINC000551020619 1010322017 /nfs/dbraw/zinc/32/20/17/1010322017.db2.gz QFZWXMMAMCZHGN-UHFFFAOYSA-N 0 2 408.423 3.873 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)cc1F ZINC000551050623 1010336060 /nfs/dbraw/zinc/33/60/60/1010336060.db2.gz WYJPPKVAPPFLLT-UHFFFAOYSA-N 0 2 418.475 3.739 20 0 HHADLN Cc1ccc(C(=O)Nc2cccc(CNS(=O)(=O)[C@H](C)C(F)(F)F)c2)cc1 ZINC000544746545 1010350941 /nfs/dbraw/zinc/35/09/41/1010350941.db2.gz RBNCBMVVNZOKSN-CYBMUJFWSA-N 0 2 400.422 3.618 20 0 HHADLN COc1c(NS(=O)(=O)c2cc(F)cc(Cl)c2)cc(Cl)cc1C(=O)N(C)C ZINC000551096856 1010363342 /nfs/dbraw/zinc/36/33/42/1010363342.db2.gz WWTFYDWYVMVYOU-UHFFFAOYSA-N 0 2 421.277 3.644 20 0 HHADLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1cc(C)cc(Br)c1 ZINC000551117167 1010380682 /nfs/dbraw/zinc/38/06/82/1010380682.db2.gz VPYRRUWDSLFNBF-UHFFFAOYSA-N 0 2 418.696 3.998 20 0 HHADLN CC(=O)[C@@H]1C[C@H](CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1(C)C ZINC000544811581 1010405339 /nfs/dbraw/zinc/40/53/39/1010405339.db2.gz FZPPNRAMXNLTCX-CJNGLKHVSA-N 0 2 421.544 3.524 20 0 HHADLN COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H](CN1CCN(C)CC1)c1ccccc1 ZINC000547822516 1010439540 /nfs/dbraw/zinc/43/95/40/1010439540.db2.gz VHBXCLVCGKZFKD-VWLOTQADSA-N 0 2 416.569 3.836 20 0 HHADLN COC(=O)c1csc(NS(=O)(=O)c2ccccc2C(=O)c2ccccc2)c1 ZINC000547822145 1010439562 /nfs/dbraw/zinc/43/95/62/1010439562.db2.gz GKNNUZLMJYWJBQ-UHFFFAOYSA-N 0 2 401.465 3.567 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)c(F)c1 ZINC000521527275 1010439872 /nfs/dbraw/zinc/43/98/72/1010439872.db2.gz LRSCTDLOVVGFMC-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)cc1Cl ZINC000521527160 1010440370 /nfs/dbraw/zinc/44/03/70/1010440370.db2.gz GCFHZAKHWVABTJ-UHFFFAOYSA-N 0 2 420.293 3.958 20 0 HHADLN Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000521531379 1010442562 /nfs/dbraw/zinc/44/25/62/1010442562.db2.gz YHUYAMJEDHZNET-UHFFFAOYSA-N 0 2 402.220 3.713 20 0 HHADLN Cc1c(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c2ccccc2n1C ZINC000551215149 1010444193 /nfs/dbraw/zinc/44/41/93/1010444193.db2.gz OAUHIZOOTPUYBH-LJQANCHMSA-N 0 2 421.526 3.798 20 0 HHADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc(Br)cc3C)o2)s1 ZINC000521535121 1010445665 /nfs/dbraw/zinc/44/56/65/1010445665.db2.gz OMNNJYKYHRLXBT-UHFFFAOYSA-N 0 2 414.306 3.978 20 0 HHADLN Cc1ccnc2c1cccc2S(=O)(=O)Nc1ccccc1-c1nnnn1C(C)C ZINC000547955071 1010481279 /nfs/dbraw/zinc/48/12/79/1010481279.db2.gz VNLGCNGGBCOVAD-UHFFFAOYSA-N 0 2 408.487 3.578 20 0 HHADLN Cc1ccnc2c1cccc2S(=O)(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000547955115 1010481327 /nfs/dbraw/zinc/48/13/27/1010481327.db2.gz QODRNBLQHNUENR-UHFFFAOYSA-N 0 2 414.487 3.925 20 0 HHADLN O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1cc(Cl)ccc1F ZINC000551389076 1010555596 /nfs/dbraw/zinc/55/55/96/1010555596.db2.gz YNOBLVDYPBRBAC-UHFFFAOYSA-N 0 2 402.838 3.990 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2cccc(Cl)c2F)ccc1Br ZINC000548358137 1010599144 /nfs/dbraw/zinc/59/91/44/1010599144.db2.gz JEKPOAQBYYSIIZ-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2NS(C)(=O)=O)c1 ZINC000551466993 1010603371 /nfs/dbraw/zinc/60/33/71/1010603371.db2.gz MNOZYTQRNCXVBU-UHFFFAOYSA-N 0 2 402.925 3.636 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1-c1nnnn1C1CC1 ZINC000551468001 1010604594 /nfs/dbraw/zinc/60/45/94/1010604594.db2.gz RXLWRPPXKRBGGJ-UHFFFAOYSA-N 0 2 407.858 3.577 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ncc(C(N)=O)cc3Cl)cc2)s1 ZINC000521858441 1010666747 /nfs/dbraw/zinc/66/67/47/1010666747.db2.gz KBABQICWSZWJEK-UHFFFAOYSA-N 0 2 423.903 3.797 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(/C=C/c3ccccc3)cs2)cc1 ZINC000522738650 1011186755 /nfs/dbraw/zinc/18/67/55/1011186755.db2.gz MVDLAIJMVIMAOX-JXMROGBWSA-N 0 2 400.481 3.901 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cccc(N(C)C)c1C ZINC000540566175 1011224633 /nfs/dbraw/zinc/22/46/33/1011224633.db2.gz HAEUMPVHJBSCLN-UHFFFAOYSA-N 0 2 404.513 3.863 20 0 HHADLN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3c(Cl)ccc(C)c3n2)cc1 ZINC000540567159 1011226827 /nfs/dbraw/zinc/22/68/27/1011226827.db2.gz CHOKCZUIVJAJKZ-UHFFFAOYSA-N 0 2 424.931 3.791 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3nc4c(cc(C)cc4C)s3)cnc2c1Cl ZINC000540573760 1011231592 /nfs/dbraw/zinc/23/15/92/1011231592.db2.gz YZLKKBKXFHGHEO-UHFFFAOYSA-N 0 2 407.908 3.718 20 0 HHADLN O=C(Nc1cnn(CC(F)(F)F)c1)c1[nH]nc(-c2ccccc2)c1Br ZINC000522821665 1011255599 /nfs/dbraw/zinc/25/55/99/1011255599.db2.gz CCDDMUNJAOVEBJ-UHFFFAOYSA-N 0 2 414.185 3.850 20 0 HHADLN CCOC(=O)[C@H](C(=O)CSc1ncccc1Br)c1nc(C)cs1 ZINC000522849874 1011289569 /nfs/dbraw/zinc/28/95/69/1011289569.db2.gz JDPPOBWYRUCDJL-GFCCVEGCSA-N 0 2 415.334 3.617 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)nc1C1CC1 ZINC000536181955 1011317825 /nfs/dbraw/zinc/31/78/25/1011317825.db2.gz FYSZEFIAQCASQH-UHFFFAOYSA-N 0 2 424.397 3.766 20 0 HHADLN O=S(=O)(c1cc(F)ccc1Cl)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000536250143 1011406365 /nfs/dbraw/zinc/40/63/65/1011406365.db2.gz WQITUCKOFZGNNL-OAHLLOKOSA-N 0 2 406.870 3.790 20 0 HHADLN Cc1cc(C)cc(CCC(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)c1 ZINC000540796518 1011456181 /nfs/dbraw/zinc/45/61/81/1011456181.db2.gz DWQPFRCEWYQSQW-UHFFFAOYSA-N 0 2 416.528 3.527 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3nc4ccc(C)cc4s3)cc21 ZINC000523045062 1011513528 /nfs/dbraw/zinc/51/35/28/1011513528.db2.gz UNOHKQGMQAYHCC-UHFFFAOYSA-N 0 2 401.513 3.705 20 0 HHADLN CC(C)(C)c1nc2ccc(S(=O)(=O)Nc3ncn(-c4ccccc4)n3)cc2s1 ZINC000541072499 1011712681 /nfs/dbraw/zinc/71/26/81/1011712681.db2.gz FULOOGZCBVEZSO-UHFFFAOYSA-N 0 2 413.528 3.975 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)cn1 ZINC000536700702 1011870293 /nfs/dbraw/zinc/87/02/93/1011870293.db2.gz VHLQUHVUHPDTQO-HNNXBMFYSA-N 0 2 412.467 3.809 20 0 HHADLN CCCS(=O)(=O)Nc1cccc(NC(=O)c2cccc(Br)c2O)c1 ZINC000523414244 1011895522 /nfs/dbraw/zinc/89/55/22/1011895522.db2.gz VMCGVUCPDMYTDF-UHFFFAOYSA-N 0 2 413.293 3.559 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ncn(C3CCCCC3)n2)cnn1-c1ccc(Cl)cc1 ZINC000541289679 1011987144 /nfs/dbraw/zinc/98/71/44/1011987144.db2.gz GZNIRQLXEHMAHB-UHFFFAOYSA-N 0 2 420.926 3.732 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000541291640 1011991380 /nfs/dbraw/zinc/99/13/80/1011991380.db2.gz ZXJSFIIFDHJGGC-UHFFFAOYSA-N 0 2 410.565 3.568 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000541306478 1012011703 /nfs/dbraw/zinc/01/17/03/1012011703.db2.gz NRIPHXCQJXMDTP-UHFFFAOYSA-N 0 2 414.430 3.520 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc3oc(C(C)C)nc3c2)c1 ZINC000551935614 1012028189 /nfs/dbraw/zinc/02/81/89/1012028189.db2.gz UKPJRDDRXDEIID-UHFFFAOYSA-N 0 2 418.471 3.937 20 0 HHADLN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000523507834 1012031785 /nfs/dbraw/zinc/03/17/85/1012031785.db2.gz URTBYKADTALERP-UHFFFAOYSA-N 0 2 420.434 3.628 20 0 HHADLN CS[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1 ZINC000523509601 1012033229 /nfs/dbraw/zinc/03/32/29/1012033229.db2.gz KSLRYFMWHQYKPI-MRXNPFEDSA-N 0 2 419.553 3.987 20 0 HHADLN COCCOc1ccc(S(=O)(=O)Nc2ccnn2-c2cccc(Cl)c2)cc1C ZINC000551991603 1012038226 /nfs/dbraw/zinc/03/82/26/1012038226.db2.gz RANFLGNUCVSTNS-UHFFFAOYSA-N 0 2 421.906 3.660 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3cn(C)nc3-c3ccccc3)cc2F)c1 ZINC000536895887 1012151353 /nfs/dbraw/zinc/15/13/53/1012151353.db2.gz DUKUKKLEKPOXGT-UHFFFAOYSA-N 0 2 411.462 3.521 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)NCC(C)C)cc1C ZINC000523731014 1012347796 /nfs/dbraw/zinc/34/77/96/1012347796.db2.gz VBLBKVBRTHFJEI-UHFFFAOYSA-N 0 2 406.552 3.576 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000523731652 1012349075 /nfs/dbraw/zinc/34/90/75/1012349075.db2.gz YFLNJXVZVXILJR-UHFFFAOYSA-N 0 2 413.503 3.529 20 0 HHADLN O=c1[nH]nc(CSc2nnc(COc3ccccc3Cl)n2-c2ccccc2)[nH]1 ZINC000537047468 1012369425 /nfs/dbraw/zinc/36/94/25/1012369425.db2.gz NTHUIYXQUCHGQH-UHFFFAOYSA-N 0 2 414.878 3.616 20 0 HHADLN Cc1cccc(-n2c(=O)c3ccc(Cl)cc3nc2SCc2n[nH]c(=O)[nH]2)c1C ZINC000537047653 1012369519 /nfs/dbraw/zinc/36/95/19/1012369519.db2.gz DRDNVPGCNGUIRM-UHFFFAOYSA-N 0 2 413.890 3.772 20 0 HHADLN C[C@H](NCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1)c1nnc2ccccn21 ZINC000552401701 1012412799 /nfs/dbraw/zinc/41/27/99/1012412799.db2.gz GPYVFHNWPSRRLU-LBPRGKRZSA-N 0 2 420.473 3.684 20 0 HHADLN Cn1cc(NS(=O)(=O)c2ccc(F)c(Br)c2)c(-c2ccccc2)n1 ZINC000552604296 1012605984 /nfs/dbraw/zinc/60/59/84/1012605984.db2.gz AJEVNHGVQGAYCY-UHFFFAOYSA-N 0 2 410.268 3.790 20 0 HHADLN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)CC1=O ZINC000552605267 1012607346 /nfs/dbraw/zinc/60/73/46/1012607346.db2.gz VPBRVKKERXPALX-ZBFHGGJFSA-N 0 2 419.485 3.682 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC(Cc4cccnc4)CC3)s[nH]2)c1 ZINC000541758548 1012619087 /nfs/dbraw/zinc/61/90/87/1012619087.db2.gz XNEFXZSXMBFVID-UHFFFAOYSA-N 0 2 409.515 3.517 20 0 HHADLN COCCCOc1cccc(NC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)c1 ZINC000541761589 1012624482 /nfs/dbraw/zinc/62/44/82/1012624482.db2.gz JBALPNOZDLBQKM-UHFFFAOYSA-N 0 2 414.487 3.695 20 0 HHADLN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552624450 1012625455 /nfs/dbraw/zinc/62/54/55/1012625455.db2.gz JRNZVDFVMARJEO-UHFFFAOYSA-N 0 2 422.876 3.945 20 0 HHADLN O=S(=O)(Nc1cncnc1-c1ccccc1)c1ccc(OCC(F)(F)F)cc1 ZINC000541780968 1012650033 /nfs/dbraw/zinc/65/00/33/1012650033.db2.gz VSJADJWGGCJIBZ-UHFFFAOYSA-N 0 2 409.389 3.886 20 0 HHADLN COc1ccccc1CCN(C)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000541796812 1012672203 /nfs/dbraw/zinc/67/22/03/1012672203.db2.gz ARWKKCQANRJCLU-UHFFFAOYSA-N 0 2 402.907 3.995 20 0 HHADLN COC[C@@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc(F)cc1 ZINC000541800457 1012678293 /nfs/dbraw/zinc/67/82/93/1012678293.db2.gz MFIQRQGSWIETMZ-OAHLLOKOSA-N 0 2 406.870 3.929 20 0 HHADLN O=S(=O)(Nc1ccc(-c2ncco2)cc1)c1cc(Br)cc2c1OCC2 ZINC000541806984 1012690182 /nfs/dbraw/zinc/69/01/82/1012690182.db2.gz YOUAVFWKKFEDGS-UHFFFAOYSA-N 0 2 421.272 3.840 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(OC)c(F)c2)nc1C1CCCC1 ZINC000541826316 1012713332 /nfs/dbraw/zinc/71/33/32/1012713332.db2.gz OYDOQPAPMHDJLX-UHFFFAOYSA-N 0 2 414.480 3.536 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2cccc(CSC)c2)c1 ZINC000541859352 1012740368 /nfs/dbraw/zinc/74/03/68/1012740368.db2.gz GXKGMYBYIKLFDI-UHFFFAOYSA-N 0 2 413.492 3.675 20 0 HHADLN CCOC(=O)c1sc2ncc(S(=O)(=O)Nc3ccc(F)cc3OC)cc2c1C ZINC000524006892 1012754651 /nfs/dbraw/zinc/75/46/51/1012754651.db2.gz VICBIDQTDDEXIR-UHFFFAOYSA-N 0 2 424.475 3.730 20 0 HHADLN O=C(CN(Cc1cccnc1)c1ccccc1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000524035794 1012784452 /nfs/dbraw/zinc/78/44/52/1012784452.db2.gz FKDNVTWGAVMKDD-UHFFFAOYSA-N 0 2 407.524 3.729 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N[C@@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)s[nH]1 ZINC000537380638 1012857203 /nfs/dbraw/zinc/85/72/03/1012857203.db2.gz YRWNGYQEAFGCNB-SWLSCSKDSA-N 0 2 412.559 3.612 20 0 HHADLN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2cnoc2-c2ccccc2)c1 ZINC000537393680 1012876611 /nfs/dbraw/zinc/87/66/11/1012876611.db2.gz FLYVAPCFATWKPJ-UHFFFAOYSA-N 0 2 422.304 3.971 20 0 HHADLN COc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)ccc1Br ZINC000537397304 1012880738 /nfs/dbraw/zinc/88/07/38/1012880738.db2.gz UBTPBASVJKRGLP-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN COc1ccc(Oc2ccc(S(=O)(=O)Nc3ncn(-c4ccccc4)n3)cc2)cc1 ZINC000542001561 1012881705 /nfs/dbraw/zinc/88/17/05/1012881705.db2.gz QBWYBJWCRXLYIU-UHFFFAOYSA-N 0 2 422.466 3.869 20 0 HHADLN CCCS(=O)(=O)Nc1ccc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000524136402 1012921718 /nfs/dbraw/zinc/92/17/18/1012921718.db2.gz ZIOAMJDQYPDZKM-UHFFFAOYSA-N 0 2 419.894 3.529 20 0 HHADLN O=C(Nc1ccccn1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000524209154 1013016041 /nfs/dbraw/zinc/01/60/41/1013016041.db2.gz FAJCKTRBSOBGTQ-UHFFFAOYSA-N 0 2 407.373 3.552 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3cccnc3Oc3ccccc3)cc2C[C@H]1C ZINC000614843319 1071760200 /nfs/dbraw/zinc/76/02/00/1071760200.db2.gz BBWKCDJNSCXGBX-OAHLLOKOSA-N 0 2 423.494 3.972 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc3c(c2)OC(C)(C)O3)cc1Cl ZINC000729665188 1071776385 /nfs/dbraw/zinc/77/63/85/1071776385.db2.gz CLLSGRDXXAJOHF-UHFFFAOYSA-N 0 2 414.842 3.746 20 0 HHADLN O=C(NCc1ccc(C(=O)N2CCC[C@@H](c3cc4ccccc4[nH]3)C2)o1)C(F)(F)F ZINC001626001401 1072052379 /nfs/dbraw/zinc/05/23/79/1072052379.db2.gz WMNHLCHSRFBIFS-CQSZACIVSA-N 0 2 419.403 3.959 20 0 HHADLN COc1c(Br)cc(Cl)cc1S(=O)(=O)NC1(C(F)(F)F)CCC1 ZINC000760619475 1072113678 /nfs/dbraw/zinc/11/36/78/1072113678.db2.gz WFIBOYMLQVKALC-UHFFFAOYSA-N 0 2 422.650 3.874 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)ccc1C(N)=O ZINC000488224906 1072146434 /nfs/dbraw/zinc/14/64/34/1072146434.db2.gz DMQUNYAQXFPBGR-UHFFFAOYSA-N 0 2 408.907 3.727 20 0 HHADLN CCNS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccccc1-c1cccs1 ZINC000488243647 1072158623 /nfs/dbraw/zinc/15/86/23/1072158623.db2.gz MZOQELNUWLVPFE-UHFFFAOYSA-N 0 2 422.553 3.514 20 0 HHADLN O=S(=O)(Nc1cc(F)c(F)c(F)c1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000488254090 1072171944 /nfs/dbraw/zinc/17/19/44/1072171944.db2.gz XGPQUINVVDJSOA-JTQLQIEISA-N 0 2 421.824 3.973 20 0 HHADLN O=C(Nc1ccc(Br)cc1Cl)c1c[nH]n(-c2ccc(F)cc2)c1=O ZINC000536739486 1072194146 /nfs/dbraw/zinc/19/41/46/1072194146.db2.gz TYOSHUSEXKPUSK-GFCCVEGCSA-N 0 2 410.630 3.829 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)NCC3CCCCC3)ccc2F)cc1 ZINC000913096930 1072327973 /nfs/dbraw/zinc/32/79/73/1072327973.db2.gz UAVANSLDKLAGRQ-UHFFFAOYSA-N 0 2 420.506 3.945 20 0 HHADLN Cc1c(Cl)cccc1NC(=O)C[C@@H]1SC(n2nccc2C(F)(F)F)=NC1=O ZINC000913098851 1072328527 /nfs/dbraw/zinc/32/85/27/1072328527.db2.gz IIGVHJZSOGIAAM-NSHDSACASA-N 0 2 416.812 3.739 20 0 HHADLN CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2O)C1 ZINC000760428226 1072339076 /nfs/dbraw/zinc/33/90/76/1072339076.db2.gz YPFDYJRKZJWBCM-LLVKDONJSA-N 0 2 405.278 3.664 20 0 HHADLN COC(=O)c1c(C)csc1NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000586755695 1072418319 /nfs/dbraw/zinc/41/83/19/1072418319.db2.gz LEHQVHYQMPXHFZ-UHFFFAOYSA-N 0 2 409.407 3.684 20 0 HHADLN CO[C@@H]1Cc2ccc(NS(=O)(=O)c3cc(F)c(Br)cc3F)cc2C1 ZINC000783862033 1072472008 /nfs/dbraw/zinc/47/20/08/1072472008.db2.gz KRAALPIOFYHDGR-GFCCVEGCSA-N 0 2 418.259 3.642 20 0 HHADLN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000612998390 1072532368 /nfs/dbraw/zinc/53/23/68/1072532368.db2.gz FXMBICRJOGWKGS-UHFFFAOYSA-N 0 2 405.806 3.837 20 0 HHADLN COC(=O)c1ccsc1NS(=O)(=O)c1cc(Br)c(F)cc1C ZINC000479126302 1072735277 /nfs/dbraw/zinc/73/52/77/1072735277.db2.gz FMDOVFCJNBWXPH-UHFFFAOYSA-N 0 2 408.270 3.546 20 0 HHADLN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1nc(CC)cc(C2CC2)n1 ZINC000479127492 1072735811 /nfs/dbraw/zinc/73/58/11/1072735811.db2.gz HRBZMRWQLQJQLT-UHFFFAOYSA-N 0 2 416.547 3.589 20 0 HHADLN CCSc1nnc(NS(=O)(=O)c2cc(Cl)ccc2OCCCOC)s1 ZINC000479130229 1072740282 /nfs/dbraw/zinc/74/02/82/1072740282.db2.gz RCXKBULMEFILTQ-UHFFFAOYSA-N 0 2 423.969 3.520 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c(F)c1 ZINC000479131383 1072741422 /nfs/dbraw/zinc/74/14/22/1072741422.db2.gz PAASSPMGIVYSMI-UHFFFAOYSA-N 0 2 413.883 3.731 20 0 HHADLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2c3ccccc3sc2C(=O)OC)n1 ZINC000479134316 1072744026 /nfs/dbraw/zinc/74/40/26/1072744026.db2.gz YWQWZEXZMPVUAF-UHFFFAOYSA-N 0 2 417.512 3.719 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)c(F)c1 ZINC000479135509 1072745044 /nfs/dbraw/zinc/74/50/44/1072745044.db2.gz VCABGTIZWJTAPC-UHFFFAOYSA-N 0 2 415.368 3.840 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nc(C)cc(C2CC2)n1 ZINC000479135916 1072747847 /nfs/dbraw/zinc/74/78/47/1072747847.db2.gz POGJXGVODCLSLM-LBPRGKRZSA-N 0 2 411.911 3.530 20 0 HHADLN CCC[C@@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)OC)cs3)c2C1 ZINC000479139367 1072750317 /nfs/dbraw/zinc/75/03/17/1072750317.db2.gz ALZVTVKMPYOUAA-CYBMUJFWSA-N 0 2 408.545 3.840 20 0 HHADLN CCC[C@@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)OC)cs3)c2C1 ZINC000479139367 1072750337 /nfs/dbraw/zinc/75/03/37/1072750337.db2.gz ALZVTVKMPYOUAA-CYBMUJFWSA-N 0 2 408.545 3.840 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccn2)s1)c1ccc(CC(F)(F)F)cc1 ZINC000479116438 1072751951 /nfs/dbraw/zinc/75/19/51/1072751951.db2.gz RPNYPPGQGSXGTB-UHFFFAOYSA-N 0 2 400.407 3.506 20 0 HHADLN Cc1cc(C2CC2)nc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)n1 ZINC000479141605 1072764414 /nfs/dbraw/zinc/76/44/14/1072764414.db2.gz ZQTFZMYHKGQLDT-CYBMUJFWSA-N 0 2 423.922 3.532 20 0 HHADLN CC[C@H](CNC(=O)c1ccc(CNC(=O)C(F)(F)F)o1)Oc1cccc(Cl)c1 ZINC001126878522 1072872729 /nfs/dbraw/zinc/87/27/29/1072872729.db2.gz GDJQDIFXTWMJQG-GFCCVEGCSA-N 0 2 418.799 3.699 20 0 HHADLN O=C(c1c(O)cc(F)cc1F)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000588219558 1072919406 /nfs/dbraw/zinc/91/94/06/1072919406.db2.gz UPUXTVORLSROHL-GFCCVEGCSA-N 0 2 403.360 3.879 20 0 HHADLN CC[N@H+]1Cc2c(C(=O)[O-])c3ccccc3nc2/C(=C/c2ccccc2-n2cncn2)C1 ZINC000588349165 1073031882 /nfs/dbraw/zinc/03/18/82/1073031882.db2.gz AKWLXLJHMPLYFR-GZTJUZNOSA-N 0 2 411.465 3.890 20 0 HHADLN CC[N@@H+]1Cc2c(C(=O)[O-])c3ccccc3nc2/C(=C/c2ccccc2-n2cncn2)C1 ZINC000588349165 1073031893 /nfs/dbraw/zinc/03/18/93/1073031893.db2.gz AKWLXLJHMPLYFR-GZTJUZNOSA-N 0 2 411.465 3.890 20 0 HHADLN CCOc1ccc(OCC)c(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 ZINC000588629193 1073068361 /nfs/dbraw/zinc/06/83/61/1073068361.db2.gz VMLHEWQJVTWCRL-UHFFFAOYSA-N 0 2 413.879 3.709 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)s[nH]1 ZINC000589937624 1073422465 /nfs/dbraw/zinc/42/24/65/1073422465.db2.gz VQENSWZRBNZGQF-UHFFFAOYSA-N 0 2 413.400 3.853 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C2(c3ccc(Br)cc3)CCOCC2)s[nH]1 ZINC000589937738 1073423093 /nfs/dbraw/zinc/42/30/93/1073423093.db2.gz VCTHCRRFAIJIFK-UHFFFAOYSA-N 0 2 424.364 3.707 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(C)cc2Br)c(OC)c1OC ZINC000589939801 1073425099 /nfs/dbraw/zinc/42/50/99/1073425099.db2.gz UDCSXZAOUTYASI-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN O=S(=O)(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1cnn(-c2ccccc2)c1 ZINC000555530678 1073604590 /nfs/dbraw/zinc/60/45/90/1073604590.db2.gz LQIJSRYUKGRDPN-UHFFFAOYSA-N 0 2 417.397 3.661 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1OC ZINC000590385011 1073749232 /nfs/dbraw/zinc/74/92/32/1073749232.db2.gz LIOYNGJEWZZMAP-UHFFFAOYSA-N 0 2 422.684 3.626 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(C)n(Cc4ccccn4)c3C)s[nH]2)c1 ZINC000600340128 1073771763 /nfs/dbraw/zinc/77/17/63/1073771763.db2.gz HVVDSSZFJODAEV-UHFFFAOYSA-N 0 2 419.510 3.750 20 0 HHADLN O=C(NCc1ccc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)cc1)c1cccs1 ZINC000590404546 1073788731 /nfs/dbraw/zinc/78/87/31/1073788731.db2.gz FPQXASSENDJOMI-UHFFFAOYSA-N 0 2 421.457 3.855 20 0 HHADLN CC(=O)N(C)c1ccc(NS(=O)(=O)c2cc(Br)c(F)cc2F)cc1 ZINC000590695211 1073981070 /nfs/dbraw/zinc/98/10/70/1073981070.db2.gz GFQCTNLGGFLNGS-UHFFFAOYSA-N 0 2 419.247 3.511 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccnc(Sc3ccccn3)c2)c(F)c1 ZINC000590695396 1073981729 /nfs/dbraw/zinc/98/17/29/1073981729.db2.gz GLCFPMBWGJNHFA-UHFFFAOYSA-N 0 2 409.439 3.715 20 0 HHADLN CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)c1 ZINC000591680331 1074483583 /nfs/dbraw/zinc/48/35/83/1074483583.db2.gz OJPPBNSOYJGAHS-UHFFFAOYSA-N 0 2 413.858 3.505 20 0 HHADLN COCCOc1ccccc1NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000591797104 1074545724 /nfs/dbraw/zinc/54/57/24/1074545724.db2.gz JSKNNCHDORLPQN-UHFFFAOYSA-N 0 2 406.287 3.828 20 0 HHADLN O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000591797076 1074545795 /nfs/dbraw/zinc/54/57/95/1074545795.db2.gz HSAIYNATZKXXMT-UHFFFAOYSA-N 0 2 420.412 3.835 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccccc2S(=O)(=O)C(C)C)ccc1C(F)(F)F ZINC000573890060 1074671074 /nfs/dbraw/zinc/67/10/74/1074671074.db2.gz FGQKGDYQDIUPRB-UHFFFAOYSA-N 0 2 421.462 3.997 20 0 HHADLN C[C@@H](c1cccc(NC(=O)c2cccc(Br)c2[O-])c1)[NH+]1CCOCC1 ZINC000592871595 1075129086 /nfs/dbraw/zinc/12/90/86/1075129086.db2.gz CEAZVYFBCOHZOE-ZDUSSCGKSA-N 0 2 405.292 3.800 20 0 HHADLN Cc1noc(CSc2ccc(C(=O)N=c3nc(-c4ccsc4)[nH]s3)cc2)n1 ZINC000596904990 1075598247 /nfs/dbraw/zinc/59/82/47/1075598247.db2.gz NYPKWVQOJQGZDK-UHFFFAOYSA-N 0 2 415.525 3.925 20 0 HHADLN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ccc(OC(C)C)nc1 ZINC000596917622 1075600963 /nfs/dbraw/zinc/60/09/63/1075600963.db2.gz YLGMYYDXIZAGHO-UHFFFAOYSA-N 0 2 405.520 3.542 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N3CC=C(c4ccc(F)cc4)CC3)cc2[nH]c1=S ZINC000302890575 971375194 /nfs/dbraw/zinc/37/51/94/971375194.db2.gz RKLOKMDKMUTJGP-UHFFFAOYSA-N 0 2 409.486 3.774 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cc(C3CCCC3)nn2-c2ccccc2)cc1C(N)=O ZINC000524297297 1013107642 /nfs/dbraw/zinc/10/76/42/1013107642.db2.gz PNRRFHCWAQHJBF-UHFFFAOYSA-N 0 2 424.526 3.738 20 0 HHADLN Cc1cc(C)n(-c2ccc(C(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)cc2F)n1 ZINC000303461348 971765088 /nfs/dbraw/zinc/76/50/88/971765088.db2.gz OHTOBXRNBMZWMR-UHFFFAOYSA-N 0 2 411.462 3.611 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ncn(C3CCCCC3)n2)c(C)cc1Br ZINC000542217302 1013166296 /nfs/dbraw/zinc/16/62/96/1013166296.db2.gz POBOMIAQLIVJSN-UHFFFAOYSA-N 0 2 413.341 3.963 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cnn1-c1cccc(F)c1 ZINC000542238148 1013197786 /nfs/dbraw/zinc/19/77/86/1013197786.db2.gz ZIOSRVPZTLWWJL-UHFFFAOYSA-N 0 2 416.434 3.612 20 0 HHADLN COc1ccc(NS(=O)(=O)c2c(F)cc(F)cc2Br)cc1OC ZINC000006316861 960882972 /nfs/dbraw/zinc/88/29/72/960882972.db2.gz IUWBJKWKRPHVRD-UHFFFAOYSA-N 0 2 408.220 3.545 20 0 HHADLN CCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(OC)cc(OC)c1 ZINC000007056315 960996934 /nfs/dbraw/zinc/99/69/34/960996934.db2.gz LJOGOGPSCAACOV-UHFFFAOYSA-N 0 2 416.293 3.666 20 0 HHADLN CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc4c(cc(C)cc4C)s3)ccc21 ZINC000007323344 961128188 /nfs/dbraw/zinc/12/81/88/961128188.db2.gz QRUOZUANTWWZES-UHFFFAOYSA-N 0 2 401.513 3.623 20 0 HHADLN C[C@@H](OC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)C(=O)Nc1ccccc1 ZINC000009739483 961675736 /nfs/dbraw/zinc/67/57/36/961675736.db2.gz GLAVADVBBKCZBJ-GFCCVEGCSA-N 0 2 419.359 3.781 20 0 HHADLN O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000537730950 1013292509 /nfs/dbraw/zinc/29/25/09/1013292509.db2.gz RJXUOOQZFHWMST-UHFFFAOYSA-N 0 2 408.302 3.568 20 0 HHADLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000010840663 961924436 /nfs/dbraw/zinc/92/44/36/961924436.db2.gz HHIWOJPQWUAMKZ-UHFFFAOYSA-N 0 2 403.489 3.502 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NCCOc3ccc4ccccc4c3)cc2[nH]c1=S ZINC000010997616 961977203 /nfs/dbraw/zinc/97/72/03/961977203.db2.gz YAMYWXCCARAQIN-UHFFFAOYSA-N 0 2 419.506 3.667 20 0 HHADLN Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1 ZINC000015683655 962836255 /nfs/dbraw/zinc/83/62/55/962836255.db2.gz NMZGBFLLYURRMX-UHFFFAOYSA-N 0 2 406.438 3.591 20 0 HHADLN CC(C)c1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c2cnn(C(C)C)c2n1 ZINC000022185756 963604983 /nfs/dbraw/zinc/60/49/83/963604983.db2.gz WCPKHUTXAPRDMT-UHFFFAOYSA-N 0 2 424.530 3.706 20 0 HHADLN Cc1cnc2c(cccc2S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)c1 ZINC000023371574 963809807 /nfs/dbraw/zinc/80/98/07/963809807.db2.gz ICEUVELIKCGTJT-UHFFFAOYSA-N 0 2 417.918 3.834 20 0 HHADLN COc1c(Br)cc(Cl)cc1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000024103112 963942628 /nfs/dbraw/zinc/94/26/28/963942628.db2.gz LSGJJISXCIRYFR-UHFFFAOYSA-N 0 2 412.092 3.960 20 0 HHADLN COc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)ccc1OC1CCCC1 ZINC000051184134 964487131 /nfs/dbraw/zinc/48/71/31/964487131.db2.gz ICUCTKDAFZPRFY-UHFFFAOYSA-N 0 2 413.499 3.587 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c1 ZINC000057122892 965294178 /nfs/dbraw/zinc/29/41/78/965294178.db2.gz DHJKPNMOBBWEKT-UHFFFAOYSA-N 0 2 418.515 3.567 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3C[C@@H](C(F)(F)F)OC(C)(C)C3)=N2)c1 ZINC000553712431 1013565413 /nfs/dbraw/zinc/56/54/13/1013565413.db2.gz XTRNVYARHUNETK-INIZCTEOSA-N 0 2 411.424 3.883 20 0 HHADLN C[C@H](NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(F)cc1F ZINC000054068015 965374577 /nfs/dbraw/zinc/37/45/77/965374577.db2.gz RUBCFQGPCCIEDA-ZDUSSCGKSA-N 0 2 415.396 3.842 20 0 HHADLN O=C(NCc1nc2ccccc2s1)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000029677671 965455030 /nfs/dbraw/zinc/45/50/30/965455030.db2.gz YVSONGGWAZSRDW-UHFFFAOYSA-N 0 2 422.466 3.613 20 0 HHADLN Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)n2)c(C)c1 ZINC000057703991 965527472 /nfs/dbraw/zinc/52/74/72/965527472.db2.gz JKPIFLSZBDAHNI-UHFFFAOYSA-N 0 2 416.524 3.811 20 0 HHADLN O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3cccc4nsnc43)n2)c1 ZINC000057720219 965529466 /nfs/dbraw/zinc/52/94/66/965529466.db2.gz SMBIAKBEJBUXOI-UHFFFAOYSA-N 0 2 419.469 3.524 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc2c(c1)OCCCO2 ZINC000057720405 965529924 /nfs/dbraw/zinc/52/99/24/965529924.db2.gz IRLFTJYSGRANMK-UHFFFAOYSA-N 0 2 406.460 3.911 20 0 HHADLN COC(=O)Cc1ccc(S(=O)(=O)Nc2sc(C)nc2-c2ccccc2)cc1 ZINC000538010915 1013583590 /nfs/dbraw/zinc/58/35/90/1013583590.db2.gz SLKSDBILZOXFML-UHFFFAOYSA-N 0 2 402.497 3.635 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1c2c(sc1-n1cccc1)CCCC2 ZINC000030032116 965605301 /nfs/dbraw/zinc/60/53/01/965605301.db2.gz UTXUARVPWBJLRQ-UHFFFAOYSA-N 0 2 424.551 3.988 20 0 HHADLN COc1ccccc1[C@@H](C/N=C\c1cc([N+](=O)[O-])ccc1O)NC(=O)OC(C)(C)C ZINC000054892747 965684038 /nfs/dbraw/zinc/68/40/38/965684038.db2.gz QQDYANFEUJSSIN-MTEVNVADSA-N 0 2 415.446 3.994 20 0 HHADLN CC1CCN(C2=NC(=O)C(CC(=O)Nc3ccc(Br)cc3)S2)CC1 ZINC000055117584 965760688 /nfs/dbraw/zinc/76/06/88/965760688.db2.gz NILIEMYWCHMYFZ-AWEZNQCLSA-N 0 2 410.337 3.508 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCc4c([nH]c5ccccc54)C3)s[nH]2)c1 ZINC000542686830 1013606609 /nfs/dbraw/zinc/60/66/09/1013606609.db2.gz NUMXUBLJVBKKDS-UHFFFAOYSA-N 0 2 405.483 3.707 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1N1CCOCC1)c1cccc(Cl)c1F ZINC000055563856 965920331 /nfs/dbraw/zinc/92/03/31/965920331.db2.gz QRWXJKIFOSQQKW-UHFFFAOYSA-N 0 2 405.278 3.770 20 0 HHADLN Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000055577186 965932559 /nfs/dbraw/zinc/93/25/59/965932559.db2.gz UBCJLEPLCINAFP-UHFFFAOYSA-N 0 2 401.879 3.591 20 0 HHADLN COc1ccc([C@@H](NC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)C2CC2)cc1 ZINC000542692354 1013611189 /nfs/dbraw/zinc/61/11/89/1013611189.db2.gz IYPWSXQLHCXHIN-SFHVURJKSA-N 0 2 410.499 3.917 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cccnc3)c(OC)c2)s1 ZINC000055587075 965940865 /nfs/dbraw/zinc/94/08/65/965940865.db2.gz RDEJRGQWZOEWSI-UHFFFAOYSA-N 0 2 417.512 3.767 20 0 HHADLN CCCOc1ccc(C(=O)NNC(=O)c2csc(-c3ccc(C)o3)n2)cc1OC ZINC000031223231 965943295 /nfs/dbraw/zinc/94/32/95/965943295.db2.gz QHTLIRCSIKFSIU-UHFFFAOYSA-N 0 2 415.471 3.584 20 0 HHADLN COc1ccc(OC(F)F)c(NS(=O)(=O)c2ccc(OC)c3ncccc23)c1 ZINC000055599210 965955916 /nfs/dbraw/zinc/95/59/16/965955916.db2.gz XFBKPWUGLAKEEK-UHFFFAOYSA-N 0 2 410.398 3.654 20 0 HHADLN O=S(=O)(Nc1cccc(OCc2cccnc2)c1)c1c(Cl)nc2ccccn21 ZINC000055632184 965976250 /nfs/dbraw/zinc/97/62/50/965976250.db2.gz JLXUIVDIPMXSBR-UHFFFAOYSA-N 0 2 414.874 3.763 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)s1 ZINC000055644029 965986618 /nfs/dbraw/zinc/98/66/18/965986618.db2.gz SLBISULLSJONJS-UHFFFAOYSA-N 0 2 402.497 3.875 20 0 HHADLN COCCOc1cc(C)ccc1NS(=O)(=O)c1ccc(F)cc1Br ZINC000055648782 965993495 /nfs/dbraw/zinc/99/34/95/965993495.db2.gz QTECEJVDDOMRJC-UHFFFAOYSA-N 0 2 418.284 3.723 20 0 HHADLN COc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000055666260 966008991 /nfs/dbraw/zinc/00/89/91/966008991.db2.gz IUWMNRJYEYZEMA-UHFFFAOYSA-N 0 2 403.287 3.505 20 0 HHADLN O=C(CCOc1cccc(Cl)c1)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000031485033 966032321 /nfs/dbraw/zinc/03/23/21/966032321.db2.gz GMPZVOIEHPINQQ-UHFFFAOYSA-N 0 2 414.845 3.742 20 0 HHADLN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2cncnc2-c2ccccc2)cc1 ZINC000542709025 1013622127 /nfs/dbraw/zinc/62/21/27/1013622127.db2.gz FZEARHKBNKDSRI-UHFFFAOYSA-N 0 2 410.499 3.929 20 0 HHADLN O=C(NCc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 ZINC000056100931 966214747 /nfs/dbraw/zinc/21/47/47/966214747.db2.gz HTNPWMALVCJYHF-UHFFFAOYSA-N 0 2 402.422 3.696 20 0 HHADLN CO[C@@H](C)c1nc(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cs1 ZINC000542726046 1013637551 /nfs/dbraw/zinc/63/75/51/1013637551.db2.gz IVPDZEDMRRZHPM-VIFPVBQESA-N 0 2 409.924 3.766 20 0 HHADLN O=C(CNC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)Nc1ccc(Cl)cc1 ZINC000542727706 1013640002 /nfs/dbraw/zinc/64/00/02/1013640002.db2.gz IAWNVQUYPLOCCK-UHFFFAOYSA-N 0 2 422.297 3.694 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cccc(OCC(F)(F)F)c2)cc1OC ZINC000032600229 966292488 /nfs/dbraw/zinc/29/24/88/966292488.db2.gz NLERAVLRSMNJIU-UHFFFAOYSA-N 0 2 409.357 3.585 20 0 HHADLN CN(C[C@@H]1COc2ccccc2O1)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000542728016 1013640110 /nfs/dbraw/zinc/64/01/10/1013640110.db2.gz IINDVWVOZCDZNA-GFCCVEGCSA-N 0 2 416.890 3.584 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCc1ccn(C2CCCC2)n1 ZINC000542730594 1013643176 /nfs/dbraw/zinc/64/31/76/1013643176.db2.gz XNAKWBIQEPKJTL-UHFFFAOYSA-N 0 2 402.911 3.914 20 0 HHADLN C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000033225371 966397485 /nfs/dbraw/zinc/39/74/85/966397485.db2.gz JFDMLKISKYNZKO-INIZCTEOSA-N 0 2 420.465 3.576 20 0 HHADLN N#C[C@@H](C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1nc2ccccc2s1 ZINC000041501541 966581636 /nfs/dbraw/zinc/58/16/36/966581636.db2.gz BXEXMDNPIFXQSU-INIZCTEOSA-N 0 2 402.479 3.889 20 0 HHADLN OC(=Cc1csc(-c2cccnc2)n1)Nc1nc(-c2ccccc2Cl)ns1 ZINC000553873498 1013670163 /nfs/dbraw/zinc/67/01/63/1013670163.db2.gz IWSJYHBMRVPNMR-UHFFFAOYSA-N 0 2 413.915 3.980 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2F)c(C(F)(F)F)c1 ZINC000064375011 967159764 /nfs/dbraw/zinc/15/97/64/967159764.db2.gz XUGQGZZVLRJFGK-UHFFFAOYSA-N 0 2 421.368 3.831 20 0 HHADLN Cc1ccc(OCc2ccc(C(=O)NNC(=O)COc3cc(C)cc(C)c3)o2)c(C)c1 ZINC000064679750 967267775 /nfs/dbraw/zinc/26/77/75/967267775.db2.gz XGVFOMYOTDBEPN-UHFFFAOYSA-N 0 2 422.481 3.932 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CC(C3CC3)C3CC3)cc2)nc(C)n1 ZINC000065047986 967357657 /nfs/dbraw/zinc/35/76/57/967357657.db2.gz FKDDMFRZGVPFSL-UHFFFAOYSA-N 0 2 414.531 3.659 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cc(C3CCCC3)nn2C)cc1Cl ZINC000542865515 1013719340 /nfs/dbraw/zinc/71/93/40/1013719340.db2.gz JCIAPONRRNIAGX-UHFFFAOYSA-N 0 2 414.890 3.629 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N(CC)Cc3ccc(OC)cc3)cc2[nH]c1=S ZINC000045398292 967447594 /nfs/dbraw/zinc/44/75/94/967447594.db2.gz AWYYZWVDZGVKPM-UHFFFAOYSA-N 0 2 409.511 3.542 20 0 HHADLN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ncc(C3CCCCC3)s2)cc1F ZINC000542930136 1013764917 /nfs/dbraw/zinc/76/49/17/1013764917.db2.gz LRGXRZVNNIMTMB-UHFFFAOYSA-N 0 2 418.537 3.534 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3cccc(OC4CCCC4)c3)c(F)cc2N1 ZINC000047329452 968140922 /nfs/dbraw/zinc/14/09/22/968140922.db2.gz LKJDCRMAKLMXDO-UHFFFAOYSA-N 0 2 404.463 3.833 20 0 HHADLN COc1ccccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000047367710 968160176 /nfs/dbraw/zinc/16/01/76/968160176.db2.gz HJFOIOIGQULQMA-UHFFFAOYSA-N 0 2 400.431 3.887 20 0 HHADLN COC(=O)c1ccc([C@@H](C)Sc2nc(-c3ccc(OC)cc3)c(C#N)c(=O)[nH]2)o1 ZINC000047558345 968237007 /nfs/dbraw/zinc/23/70/07/968237007.db2.gz OGZDWTZDDSZISD-LLVKDONJSA-N 0 2 411.439 3.550 20 0 HHADLN O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1c[nH]c2ncccc12 ZINC000072014951 968933545 /nfs/dbraw/zinc/93/35/45/968933545.db2.gz OQHIQKXSBQSTMC-UHFFFAOYSA-N 0 2 407.377 3.568 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)s[nH]1 ZINC000554186302 1013843147 /nfs/dbraw/zinc/84/31/47/1013843147.db2.gz RVWUZRBVFNXZCQ-GFCCVEGCSA-N 0 2 403.335 3.810 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2nc3c(s2)CCCCCC3)cc1OC ZINC000195638822 969925470 /nfs/dbraw/zinc/92/54/70/969925470.db2.gz AGBMHULTSJKQIJ-UHFFFAOYSA-N 0 2 400.497 3.759 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3cc(F)c(F)cc3NC(C)=O)cc2[nH]c1=S ZINC000198549844 970003970 /nfs/dbraw/zinc/00/39/70/970003970.db2.gz FLYJYMJBLOTKFQ-UHFFFAOYSA-N 0 2 418.425 3.568 20 0 HHADLN O=C(N[C@@H]1C[C@H]1c1ccccc1)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000138936990 970015620 /nfs/dbraw/zinc/01/56/20/970015620.db2.gz BXGYCVLOHHTHTP-AZUAARDMSA-N 0 2 417.490 3.986 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1 ZINC000218957511 970088068 /nfs/dbraw/zinc/08/80/68/970088068.db2.gz RRQIVMFWWMUZAQ-UHFFFAOYSA-N 0 2 424.450 3.600 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccc(O)cc3)cc2[nH]c1=S ZINC000142115691 970141699 /nfs/dbraw/zinc/14/16/99/970141699.db2.gz WZHNIKAIOHSAQZ-IBGZPJMESA-N 0 2 407.495 3.928 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCC[C@H]1c1ccccc1 ZINC000148995659 970377167 /nfs/dbraw/zinc/37/71/67/970377167.db2.gz VSWWCSKZPIVWPT-SFHVURJKSA-N 0 2 413.524 3.921 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2[nH]c1=S ZINC000249681590 970530223 /nfs/dbraw/zinc/53/02/23/970530223.db2.gz BSGMFNTUWLFMQY-UHFFFAOYSA-N 0 2 407.417 3.654 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2[nH]c1=S ZINC000249696527 970531265 /nfs/dbraw/zinc/53/12/65/970531265.db2.gz SSMXTNRJNIVOQU-UHFFFAOYSA-N 0 2 407.539 3.800 20 0 HHADLN COc1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000554685446 1014012591 /nfs/dbraw/zinc/01/25/91/1014012591.db2.gz FCOGHPONBSVFIK-UHFFFAOYSA-N 0 2 419.286 3.770 20 0 HHADLN Cc1noc2ncc(NS(=O)(=O)c3cc(Br)cc4cccnc43)cc12 ZINC000554686938 1014013237 /nfs/dbraw/zinc/01/32/37/1014013237.db2.gz GKBYPQKEAIBTGL-UHFFFAOYSA-N 0 2 419.260 3.643 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ccc(Cl)cc3OCC(F)F)cc12 ZINC000554690395 1014014224 /nfs/dbraw/zinc/01/42/24/1014014224.db2.gz WWTCKLXOYLHMPP-UHFFFAOYSA-N 0 2 417.821 3.883 20 0 HHADLN O=S(=O)(Nc1cncc(F)c1)c1cc(Br)ccc1Br ZINC000311989808 972628428 /nfs/dbraw/zinc/62/84/28/972628428.db2.gz VKTLCEIHARSMOR-UHFFFAOYSA-N 0 2 410.062 3.547 20 0 HHADLN COC(=O)c1sccc1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000314508789 972639634 /nfs/dbraw/zinc/63/96/34/972639634.db2.gz NFRMPZDJRMQUTL-UHFFFAOYSA-N 0 2 410.698 3.751 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(F)c(Br)c1 ZINC000318006771 972658840 /nfs/dbraw/zinc/65/88/40/972658840.db2.gz VXEKDQSWJSGRJU-UHFFFAOYSA-N 0 2 408.270 3.546 20 0 HHADLN O=S(=O)(Nc1ccc2c(c1)OCCCO2)c1ccc(Br)cc1F ZINC000322465191 972700473 /nfs/dbraw/zinc/70/04/73/972700473.db2.gz MULZOZPYQQOIBD-UHFFFAOYSA-N 0 2 402.241 3.550 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc(F)c(Br)cc1C ZINC000322780902 972703656 /nfs/dbraw/zinc/70/36/56/972703656.db2.gz ISFHOMNFQRGUAX-UHFFFAOYSA-N 0 2 422.297 3.854 20 0 HHADLN CN(C)C(=O)c1cccc(NS(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000324296803 972720651 /nfs/dbraw/zinc/72/06/51/972720651.db2.gz PSYXALKQJNQBSJ-UHFFFAOYSA-N 0 2 417.712 3.605 20 0 HHADLN O=S(=O)(Nc1ccc2c(c1)OCCO2)c1c(Cl)cccc1Br ZINC000389926197 972818210 /nfs/dbraw/zinc/81/82/10/972818210.db2.gz USYYJVNQXBEEES-UHFFFAOYSA-N 0 2 404.669 3.675 20 0 HHADLN COC(=O)c1c(NS(=O)(=O)c2cccc(Br)c2)sc2c1CCC2 ZINC000390690946 972827161 /nfs/dbraw/zinc/82/71/61/972827161.db2.gz BCNWKYDPNQZCQA-UHFFFAOYSA-N 0 2 416.318 3.587 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc(Br)c(F)cc1C ZINC000391521471 972840947 /nfs/dbraw/zinc/84/09/47/972840947.db2.gz SLOKQXWCKIXGGY-UHFFFAOYSA-N 0 2 422.297 3.854 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1)C1CC1 ZINC000392421154 972853064 /nfs/dbraw/zinc/85/30/64/972853064.db2.gz RCMPTKQTQOAVLL-UHFFFAOYSA-N 0 2 413.268 3.738 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1cccc(Br)c1)c1cccc(F)c1 ZINC000409454771 972898274 /nfs/dbraw/zinc/89/82/74/972898274.db2.gz DGPQWDPKDXMBLB-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2nc(C)c(Cc3ccccc3F)s2)c1 ZINC000409535028 972990952 /nfs/dbraw/zinc/99/09/52/972990952.db2.gz JZVGCNXMIXDTLH-UHFFFAOYSA-N 0 2 422.503 3.999 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(C)c(Cc3cccc(C)c3)s2)s1 ZINC000409540316 972996404 /nfs/dbraw/zinc/99/64/04/972996404.db2.gz AQANUJYTTYFYGA-UHFFFAOYSA-N 0 2 422.553 4.000 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)[C@@H]1COc2ccccc2C1 ZINC000409542330 972998336 /nfs/dbraw/zinc/99/83/36/972998336.db2.gz GSFXCJSMEGIZAK-NSHDSACASA-N 0 2 417.238 3.563 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1nccc2ccccc21 ZINC000409543483 973000561 /nfs/dbraw/zinc/00/05/61/973000561.db2.gz HJKHBANGAUBJSU-UHFFFAOYSA-N 0 2 412.222 4.174 20 0 HHADLN CC(C)Oc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cn1 ZINC000409543998 973000874 /nfs/dbraw/zinc/00/08/74/973000874.db2.gz PCYUJUCWAMCOMA-UHFFFAOYSA-N 0 2 420.242 3.808 20 0 HHADLN COc1ccc(Cn2ncc(C)c2NS(=O)(=O)c2cc(C)sc2C)cc1OC ZINC000409570986 973019716 /nfs/dbraw/zinc/01/97/16/973019716.db2.gz ORONHZZHTRQKJD-UHFFFAOYSA-N 0 2 421.544 3.736 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)cc1OC ZINC000409584160 973033752 /nfs/dbraw/zinc/03/37/52/973033752.db2.gz WUBLUHSHHOMAPR-UHFFFAOYSA-N 0 2 413.515 3.893 20 0 HHADLN Cc1ccc(F)cc1S(=O)(=O)Nc1ccnn1Cc1ccccc1Br ZINC000409584711 973034907 /nfs/dbraw/zinc/03/49/07/973034907.db2.gz LFIAPUGHWCOENK-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cccc(Br)c2)n(-c2ccccc2F)n1 ZINC000409591479 973040368 /nfs/dbraw/zinc/04/03/68/973040368.db2.gz NSNQHSPPSIGEEH-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)CCCCC2)c1cc2c(cc1Cl)OCCO2 ZINC000409595239 973042315 /nfs/dbraw/zinc/04/23/15/973042315.db2.gz POHCWPCVQBWXCZ-UHFFFAOYSA-N 0 2 400.909 3.637 20 0 HHADLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)sc2C1 ZINC000409662670 973116787 /nfs/dbraw/zinc/11/67/87/973116787.db2.gz CCKPNIJCJPGJCF-LLVKDONJSA-N 0 2 423.535 3.873 20 0 HHADLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3cc(NC(C)=O)ccc3OC)sc2C1 ZINC000409668990 973129513 /nfs/dbraw/zinc/12/95/13/973129513.db2.gz SRZJAPADFWXKKQ-CYBMUJFWSA-N 0 2 423.560 3.816 20 0 HHADLN Cn1c2ccc(C(=O)Nc3nc(-c4c(F)cccc4F)n[nH]3)cc2nc1C(F)F ZINC000409738527 973213408 /nfs/dbraw/zinc/21/34/08/973213408.db2.gz FUSYRDAMXFPJGO-UHFFFAOYSA-N 0 2 404.327 3.827 20 0 HHADLN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC000409876170 973342508 /nfs/dbraw/zinc/34/25/08/973342508.db2.gz OHDMLUJKLHWKAK-MRXNPFEDSA-N 0 2 409.269 3.951 20 0 HHADLN O=C(CCCNC(=O)[C@@H]1CC=CCC1)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000409922305 973383337 /nfs/dbraw/zinc/38/33/37/973383337.db2.gz LVTDUZIQCXQTPZ-GFCCVEGCSA-N 0 2 422.316 3.970 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3nc(-c4cccs4)ns3)c2)n1 ZINC000410334173 973911536 /nfs/dbraw/zinc/91/15/36/973911536.db2.gz UNJMRKHFETYOBQ-UHFFFAOYSA-N 0 2 420.566 3.921 20 0 HHADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2cccc3c2OC(C)(C)C3)n1 ZINC000410338819 973922102 /nfs/dbraw/zinc/92/21/02/973922102.db2.gz VWPLGLZGGUCLEC-UHFFFAOYSA-N 0 2 407.542 3.511 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(-c2ccsc2)nn1-c1ccccc1 ZINC000410342125 973927846 /nfs/dbraw/zinc/92/78/46/973927846.db2.gz ZZUFHTGHCHZISL-UHFFFAOYSA-N 0 2 413.528 3.752 20 0 HHADLN CCOc1cccc(S(=O)(=O)Nc2nnc(-c3cc4c(s3)CCCC4)o2)c1 ZINC000410354158 973945875 /nfs/dbraw/zinc/94/58/75/973945875.db2.gz OQJSFCDRRMCOGM-UHFFFAOYSA-N 0 2 405.501 3.876 20 0 HHADLN COC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000410357394 973948984 /nfs/dbraw/zinc/94/89/84/973948984.db2.gz ZZTBHRNXQSKZMQ-UHFFFAOYSA-N 0 2 404.669 3.690 20 0 HHADLN CCC(=O)Nc1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1 ZINC000410368010 973962876 /nfs/dbraw/zinc/96/28/76/973962876.db2.gz SJNIIOPTNZPKMH-UHFFFAOYSA-N 0 2 401.257 3.738 20 0 HHADLN CC(=O)Nc1cc(NS(=O)(=O)c2cccc(Br)c2F)ccc1C ZINC000410370702 973966685 /nfs/dbraw/zinc/96/66/85/973966685.db2.gz YEEAKFLQWCFGNX-UHFFFAOYSA-N 0 2 401.257 3.656 20 0 HHADLN O=S(=O)(Nc1cnn(Cc2ccccc2)c1)c1cccc(Br)c1F ZINC000410370665 973966742 /nfs/dbraw/zinc/96/67/42/973966742.db2.gz RQWWKWRJPAIDPC-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN Cc1ccn(-c2ccccc2NS(=O)(=O)c2cccc(Br)c2F)n1 ZINC000410379530 973978478 /nfs/dbraw/zinc/97/84/78/973978478.db2.gz CUQQRPKSGFXNAF-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN Cc1ccnn1-c1ccccc1NS(=O)(=O)c1cccc(Br)c1F ZINC000410402882 974003217 /nfs/dbraw/zinc/00/32/17/974003217.db2.gz UZIPJGXBIUFJJY-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN CCCSc1nc(=NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)s[n-]1 ZINC000426133669 974255335 /nfs/dbraw/zinc/25/53/35/974255335.db2.gz MOYFIUBWZRGQPF-CVEARBPZSA-N 0 2 414.560 3.709 20 0 HHADLN O=C([O-])C[C@@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1cnn(-c2ccccc2)c1 ZINC000426762054 974640326 /nfs/dbraw/zinc/64/03/26/974640326.db2.gz GWIZBVGSLZRKFB-LJQANCHMSA-N 0 2 405.483 3.696 20 0 HHADLN COc1ccccc1[C@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1ccco1 ZINC000426978555 974794384 /nfs/dbraw/zinc/79/43/84/974794384.db2.gz UAWOOXHYSRVYAM-FQEVSTJZSA-N 0 2 407.401 3.838 20 0 HHADLN COCCCOc1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 ZINC000427278418 975020910 /nfs/dbraw/zinc/02/09/10/975020910.db2.gz ZDTZTTUTTAXILU-UHFFFAOYSA-N 0 2 423.384 3.940 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(C(=O)CC)ccc2O)c1 ZINC000427298267 975034574 /nfs/dbraw/zinc/03/45/74/975034574.db2.gz ATLKMLLQWIBOSW-UHFFFAOYSA-N 0 2 411.863 3.616 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cnc1C ZINC000427783988 975286107 /nfs/dbraw/zinc/28/61/07/975286107.db2.gz RTAZSFLKBPETEI-UHFFFAOYSA-N 0 2 408.785 3.650 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](C)c3nc(C(F)(F)F)cs3)=N2)cc1 ZINC000428627129 975931102 /nfs/dbraw/zinc/93/11/02/975931102.db2.gz SIWBAUVPTYBCLO-SECBINFHSA-N 0 2 412.393 3.553 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cccc(Br)c3F)s[nH]2)c1 ZINC000428725175 976012399 /nfs/dbraw/zinc/01/23/99/976012399.db2.gz ALNLONZFKBNCAD-UHFFFAOYSA-N 0 2 408.252 3.790 20 0 HHADLN Cc1cnc([C@H](C)NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)s1 ZINC000428873818 976164584 /nfs/dbraw/zinc/16/45/84/976164584.db2.gz WPSQDELLRBNGRA-NSHDSACASA-N 0 2 423.545 3.592 20 0 HHADLN Cc1nn(-c2ccccc2)c(C)c1CNS(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000429229868 976522129 /nfs/dbraw/zinc/52/21/29/976522129.db2.gz JGBJCACSGOZEDG-UHFFFAOYSA-N 0 2 413.396 3.524 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)Nc2ccc(C(C)(C)C(F)(F)F)cc2)s[nH]1 ZINC000429968955 977236738 /nfs/dbraw/zinc/23/67/38/977236738.db2.gz HDYOLZFSVNWSRP-UHFFFAOYSA-N 0 2 414.453 3.675 20 0 HHADLN CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2noc(-c3ccccc3Cl)n2)c1 ZINC000430056534 977301155 /nfs/dbraw/zinc/30/11/55/977301155.db2.gz HAIYLYKFEASFGR-UHFFFAOYSA-N 0 2 421.862 3.676 20 0 HHADLN O=S(=O)(Nc1noc(-c2ccccc2Cl)n1)c1ccccc1OC(F)F ZINC000430058447 977302069 /nfs/dbraw/zinc/30/20/69/977302069.db2.gz MMBRSGFGSUHIDG-UHFFFAOYSA-N 0 2 401.778 3.792 20 0 HHADLN Cc1c(NS(=O)(=O)Cc2ccc(Cl)c(F)c2)nnn1Cc1ccccc1F ZINC000430089838 977314873 /nfs/dbraw/zinc/31/48/73/977314873.db2.gz ZGRLQISBLVKSAF-UHFFFAOYSA-N 0 2 412.849 3.508 20 0 HHADLN Cc1n[nH]c(NS(=O)(=O)c2c(C)cc(F)cc2C)c1-c1ccc2c(c1)OCCO2 ZINC000430389423 977518465 /nfs/dbraw/zinc/51/84/65/977518465.db2.gz VPKALHHHVFMIBY-UHFFFAOYSA-N 0 2 417.462 3.713 20 0 HHADLN O=C(NCc1ccc2c(c1)OCO2)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430396453 977521607 /nfs/dbraw/zinc/52/16/07/977521607.db2.gz SRQODPJQXYXJPN-UHFFFAOYSA-N 0 2 414.417 3.979 20 0 HHADLN Cc1n[nH]c(NS(=O)(=O)c2c(C)cc(F)cc2C)c1-c1ccc2c(c1)OCO2 ZINC000430395928 977521619 /nfs/dbraw/zinc/52/16/19/977521619.db2.gz RYCSDRJNKFOOJR-UHFFFAOYSA-N 0 2 403.435 3.671 20 0 HHADLN CC[C@H](C)[C@H](NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)C(=O)OC ZINC000430445454 977556083 /nfs/dbraw/zinc/55/60/83/977556083.db2.gz ZKYQKYLUGKNSLZ-XOBRGWDASA-N 0 2 408.454 3.638 20 0 HHADLN CC[C@@H](C)[C@@H](NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)C(=O)OC ZINC000430445451 977556128 /nfs/dbraw/zinc/55/61/28/977556128.db2.gz ZKYQKYLUGKNSLZ-JLTOFOAXSA-N 0 2 408.454 3.638 20 0 HHADLN Cc1nn(C)cc1[C@@H](C)NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430556384 977630019 /nfs/dbraw/zinc/63/00/19/977630019.db2.gz QJYXCFOTLUXGTC-CQSZACIVSA-N 0 2 402.454 3.853 20 0 HHADLN Cc1nnc([C@@H](C)NC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)s1 ZINC000430575889 977640623 /nfs/dbraw/zinc/64/06/23/977640623.db2.gz LLPHHHXZXNQEBZ-GFCCVEGCSA-N 0 2 406.467 3.971 20 0 HHADLN COc1ccc(CNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)cc1O ZINC000430625743 977658942 /nfs/dbraw/zinc/65/89/42/977658942.db2.gz KIPBSQYLJRAVTO-UHFFFAOYSA-N 0 2 416.433 3.965 20 0 HHADLN O=C(CNC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)Nc1ccccc1 ZINC000430641003 977663804 /nfs/dbraw/zinc/66/38/04/977663804.db2.gz RWNHVYKSDNGTRJ-UHFFFAOYSA-N 0 2 413.433 3.689 20 0 HHADLN CC(C)Oc1ccc(S(=O)(=O)Nc2cc3ccc(Br)cn3n2)cc1 ZINC000430658991 977672104 /nfs/dbraw/zinc/67/21/04/977672104.db2.gz KQOHZKUWDYECQA-UHFFFAOYSA-N 0 2 410.293 3.685 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2nnc(-c3ccc(F)cc3)o2)c1Br ZINC000430668324 977679198 /nfs/dbraw/zinc/67/91/98/977679198.db2.gz HWZNVRGXNIEINM-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(F)cc3)o2)c(Br)c1 ZINC000430672499 977683918 /nfs/dbraw/zinc/68/39/18/977683918.db2.gz UOSVRXMNLIURTP-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN CC(=O)Nc1ccc(NS(=O)(=O)Cc2cc(C(C)(C)C)on2)c(C(F)(F)F)c1 ZINC000430980399 977925505 /nfs/dbraw/zinc/92/55/05/977925505.db2.gz ZCOQRZKUGACTPG-UHFFFAOYSA-N 0 2 419.425 3.891 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)c1C ZINC000431314198 978199000 /nfs/dbraw/zinc/19/90/00/978199000.db2.gz SRPOMCOJMDOYNZ-UHFFFAOYSA-N 0 2 417.512 3.718 20 0 HHADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)s2)c(C)c1 ZINC000431318138 978203360 /nfs/dbraw/zinc/20/33/60/978203360.db2.gz GKIDFMWVOFLUNV-UHFFFAOYSA-N 0 2 417.512 3.784 20 0 HHADLN O=S(=O)(Nc1nnc(SCc2cccs2)s1)c1ccc2c(c1)CCO2 ZINC000431318471 978203451 /nfs/dbraw/zinc/20/34/51/978203451.db2.gz KDIMIOAPQSQABQ-UHFFFAOYSA-N 0 2 411.555 3.628 20 0 HHADLN COCCc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)cc1 ZINC000431326012 978210940 /nfs/dbraw/zinc/21/09/40/978210940.db2.gz LLLQEDFCOYOMOB-UHFFFAOYSA-N 0 2 403.529 3.812 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)NCCc2cccc(OCC(F)(F)F)c2)s[nH]1 ZINC000432076224 978670557 /nfs/dbraw/zinc/67/05/57/978670557.db2.gz CNNWHLWOKMRJTB-UHFFFAOYSA-N 0 2 402.442 3.563 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C)Cc2ccc(OC(F)F)cc2)=N1 ZINC000432303007 978753436 /nfs/dbraw/zinc/75/34/36/978753436.db2.gz PAHGQTJHBPCQPI-UHFFFAOYSA-N 0 2 405.376 3.899 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)=N1 ZINC000432328027 978762432 /nfs/dbraw/zinc/76/24/32/978762432.db2.gz JGCVPAROAAGQGI-QGZVFWFLSA-N 0 2 409.417 3.731 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccc(F)cc2)s1)c1cnn(Cc2ccccc2)c1 ZINC000432344541 978769269 /nfs/dbraw/zinc/76/92/69/978769269.db2.gz DPOVEGWEKTYGHE-UHFFFAOYSA-N 0 2 414.487 3.995 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)c(C)c1 ZINC000432356352 978775417 /nfs/dbraw/zinc/77/54/17/978775417.db2.gz HXSXUTUHGNRCHE-UHFFFAOYSA-N 0 2 406.460 3.845 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)c1C ZINC000432366769 978780194 /nfs/dbraw/zinc/78/01/94/978780194.db2.gz CKJYSZLAHSQQDU-UHFFFAOYSA-N 0 2 423.491 3.872 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000432367588 978780522 /nfs/dbraw/zinc/78/05/22/978780522.db2.gz ICWPODUSXPQYIQ-UHFFFAOYSA-N 0 2 408.476 3.775 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C)n(Cc2ccccn2)n1 ZINC000432372533 978783367 /nfs/dbraw/zinc/78/33/67/978783367.db2.gz LNFYIHPULRAVBS-UHFFFAOYSA-N 0 2 410.421 3.763 20 0 HHADLN CC(C)Cn1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000432387733 978792111 /nfs/dbraw/zinc/79/21/11/978792111.db2.gz NZGWVVCGVFEWKA-UHFFFAOYSA-N 0 2 422.510 3.848 20 0 HHADLN COCc1nc2cc(NS(=O)(=O)c3ccccc3OC(F)(F)F)ccc2o1 ZINC000432390103 978793027 /nfs/dbraw/zinc/79/30/27/978793027.db2.gz YLCIJFUYTJCDNI-UHFFFAOYSA-N 0 2 402.350 3.674 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc4oc(C(C)(C)C)nc4c3)cnc2c1Cl ZINC000432755825 978960153 /nfs/dbraw/zinc/96/01/53/978960153.db2.gz FIABEVPHUYKEHK-UHFFFAOYSA-N 0 2 419.894 3.931 20 0 HHADLN CCC(CC)n1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)n1 ZINC000432936838 979015970 /nfs/dbraw/zinc/01/59/70/979015970.db2.gz HTUFKLICUNZAOX-UHFFFAOYSA-N 0 2 421.274 4.183 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2noc(Cc3ccccc3)n2)sc1Br ZINC000432954902 979022484 /nfs/dbraw/zinc/02/24/84/979022484.db2.gz PSMPATNGDZXKLG-UHFFFAOYSA-N 0 2 414.306 3.594 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nc(-c3sccc3C)ns2)cc1Cl ZINC000432959486 979024454 /nfs/dbraw/zinc/02/44/54/979024454.db2.gz JSDGMTVZMBSBTH-UHFFFAOYSA-N 0 2 415.949 3.768 20 0 HHADLN Cn1nc(-c2ccc(F)cc2F)cc1NS(=O)(=O)c1cccc(Cl)c1F ZINC000432962830 979026299 /nfs/dbraw/zinc/02/62/99/979026299.db2.gz YHEBHHUMFMHZAC-UHFFFAOYSA-N 0 2 401.797 3.959 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2ccnn2-c2nc(C)cc(C)n2)cc1C(C)C ZINC000432972629 979029857 /nfs/dbraw/zinc/02/98/57/979029857.db2.gz SCPCHIIHDUQSJE-UHFFFAOYSA-N 0 2 415.519 3.520 20 0 HHADLN CC(C)n1nc(-c2ccco2)cc1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000433125209 979085654 /nfs/dbraw/zinc/08/56/54/979085654.db2.gz ILHBIRLRQVBCER-UHFFFAOYSA-N 0 2 411.487 3.770 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)c(OC)c1 ZINC000433160207 979107821 /nfs/dbraw/zinc/10/78/21/979107821.db2.gz OFJXXZYUACOZJZ-UHFFFAOYSA-N 0 2 421.475 3.551 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccccc2Oc2ccncc2)c1C ZINC000433371521 979259843 /nfs/dbraw/zinc/25/98/43/979259843.db2.gz BICMXWKWKDDNIV-UHFFFAOYSA-N 0 2 415.471 3.796 20 0 HHADLN C[C@H]1CC2(CCC2)CN1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000433505275 979342786 /nfs/dbraw/zinc/34/27/86/979342786.db2.gz GDWMOCKURAZOBJ-ZDUSSCGKSA-N 0 2 406.533 3.740 20 0 HHADLN CN(C)C(=O)c1cccc(NS(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000433608754 979422735 /nfs/dbraw/zinc/42/27/35/979422735.db2.gz OYUDNWSONRILKC-UHFFFAOYSA-N 0 2 423.741 3.667 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)NCc2csc(CCc3ccccc3)n2)s[nH]1 ZINC000435125406 980657367 /nfs/dbraw/zinc/65/73/67/980657367.db2.gz DZCOSUGAEYGMIA-UHFFFAOYSA-N 0 2 401.561 3.821 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cnn1-c1ccccc1 ZINC000435133596 980664781 /nfs/dbraw/zinc/66/47/81/980664781.db2.gz SDTUQXVBDAXTOI-UHFFFAOYSA-N 0 2 404.451 3.700 20 0 HHADLN CCOC(=O)[C@H](NS(=O)(=O)c1c(Cl)cc(F)cc1Cl)c1ccccc1 ZINC000435441325 980864789 /nfs/dbraw/zinc/86/47/89/980864789.db2.gz BFOWDCDSKNEMNY-CQSZACIVSA-N 0 2 406.262 3.715 20 0 HHADLN CCNC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)c(C)c1 ZINC000435500592 980905603 /nfs/dbraw/zinc/90/56/03/980905603.db2.gz HVFLCYFNABFVQE-UHFFFAOYSA-N 0 2 405.278 3.991 20 0 HHADLN Cc1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)n(-c2ccc(C)nn2)n1 ZINC000435713988 980997356 /nfs/dbraw/zinc/99/73/56/980997356.db2.gz HSENPUDRBKAHQH-UHFFFAOYSA-N 0 2 416.265 3.526 20 0 HHADLN Cn1cc(-c2[nH]ncc2C(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)cn1 ZINC000435946774 981107398 /nfs/dbraw/zinc/10/73/98/981107398.db2.gz BYVQORFWNVLCJO-UWFASSMRSA-N 0 2 409.493 3.837 20 0 HHADLN O=S(=O)(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cnc(-c2ccccc2)nc1 ZINC000436002518 981145607 /nfs/dbraw/zinc/14/56/07/981145607.db2.gz JQCZVMDOVGVMLH-UHFFFAOYSA-N 0 2 409.467 3.986 20 0 HHADLN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1 ZINC000436003734 981146322 /nfs/dbraw/zinc/14/63/22/981146322.db2.gz MRNFGHQEYJNRMP-UHFFFAOYSA-N 0 2 424.526 3.863 20 0 HHADLN Cc1c(C[S@@](C)=O)cccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000436014407 981156013 /nfs/dbraw/zinc/15/60/13/981156013.db2.gz DVHMOKGCJKBKMF-RUZDIDTESA-N 0 2 409.426 3.832 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1NC(C)=O ZINC000436018804 981159239 /nfs/dbraw/zinc/15/92/39/981159239.db2.gz LJENHSDICAPTTE-UHFFFAOYSA-N 0 2 406.357 3.612 20 0 HHADLN O=C(Nc1ccccc1NS(=O)(=O)c1cnc(-c2ccccc2)nc1)N1CCCC1 ZINC000436022547 981162271 /nfs/dbraw/zinc/16/22/71/981162271.db2.gz SIODBIVDTMYAIW-UHFFFAOYSA-N 0 2 423.498 3.572 20 0 HHADLN O=C(Nc1cccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)c1)c1ccoc1 ZINC000436031248 981168844 /nfs/dbraw/zinc/16/88/44/981168844.db2.gz XIXAZYLDOJRXTD-UHFFFAOYSA-N 0 2 420.450 3.790 20 0 HHADLN CN1Cc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)ccc2NC1=O ZINC000436150750 981222326 /nfs/dbraw/zinc/22/23/26/981222326.db2.gz GNLSJJAOUYDDCN-UHFFFAOYSA-N 0 2 403.357 3.623 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)s1 ZINC000436198183 981245686 /nfs/dbraw/zinc/24/56/86/981245686.db2.gz MKFIEYLLMPATEP-UHFFFAOYSA-N 0 2 404.435 3.699 20 0 HHADLN CC(C)[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccnc1 ZINC000436207545 981250024 /nfs/dbraw/zinc/25/00/24/981250024.db2.gz IPFXFBDRQLZTMU-QGZVFWFLSA-N 0 2 416.528 3.717 20 0 HHADLN CN(c1ccccc1)C1CCN(C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)CC1 ZINC000436423867 981360795 /nfs/dbraw/zinc/36/07/95/981360795.db2.gz BGHGQIPDRNULJJ-UHFFFAOYSA-N 0 2 410.905 3.972 20 0 HHADLN CCCn1nccc1C1CCN(C(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436512316 981410188 /nfs/dbraw/zinc/41/01/88/981410188.db2.gz JLCCCOPVVAMWAB-UHFFFAOYSA-N 0 2 410.287 3.920 20 0 HHADLN O=C(Nc1ncc(C(F)(F)F)[nH]1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000436518379 981413578 /nfs/dbraw/zinc/41/35/78/981413578.db2.gz RAHJVSBXBMHGHH-AWEZNQCLSA-N 0 2 418.375 3.531 20 0 HHADLN COc1ccc(CN(C(=O)c2cc(F)c(O)c(F)c2)c2nccs2)c(OC)c1 ZINC000436521349 981415278 /nfs/dbraw/zinc/41/52/78/981415278.db2.gz CWADPMGRLPHNAI-UHFFFAOYSA-N 0 2 406.410 3.991 20 0 HHADLN COC(=O)c1csc(-c2cccc(CNC(=O)c3cc(F)c(O)c(F)c3)c2)n1 ZINC000436539645 981429701 /nfs/dbraw/zinc/42/97/01/981429701.db2.gz WWJZMHAUACCROH-UHFFFAOYSA-N 0 2 404.394 3.511 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000436562802 981446377 /nfs/dbraw/zinc/44/63/77/981446377.db2.gz BLMKDCBFDNLDRK-UHFFFAOYSA-N 0 2 401.240 3.935 20 0 HHADLN Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)c3cc(F)cc(Cl)c3O)no2)cn1 ZINC000436597080 981466150 /nfs/dbraw/zinc/46/61/50/981466150.db2.gz SXUXIWNASCZXOR-HNNXBMFYSA-N 0 2 419.844 3.726 20 0 HHADLN Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)cn1 ZINC000436609060 981472320 /nfs/dbraw/zinc/47/23/20/981472320.db2.gz VIAADWBIRPXEGX-UHFFFAOYSA-N 0 2 417.874 3.802 20 0 HHADLN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(Cl)cc(Br)c1O ZINC000436636050 981486417 /nfs/dbraw/zinc/48/64/17/981486417.db2.gz WXWFTAZDBWWDPL-MRVPVSSYSA-N 0 2 400.704 3.519 20 0 HHADLN O=C(c1cc(-c2ccccc2)cc(Cl)c1O)N1CCO[C@@H](COCC2CC2)C1 ZINC000436674420 981505410 /nfs/dbraw/zinc/50/54/10/981505410.db2.gz HUEFKYIJNXNRCI-GOSISDBHSA-N 0 2 401.890 3.980 20 0 HHADLN CC(=O)c1ccc(O)c(NC(=O)CCCCC(=O)Nc2cc(C(C)=O)ccc2O)c1 ZINC000436680713 981508927 /nfs/dbraw/zinc/50/89/27/981508927.db2.gz NZSZISDRCLQAGE-UHFFFAOYSA-N 0 2 412.442 3.641 20 0 HHADLN CN(CCc1nc(-c2ccccc2)no1)C(=O)c1cc(F)cc(Br)c1O ZINC000436713309 981526312 /nfs/dbraw/zinc/52/63/12/981526312.db2.gz DTTYSNVZYKKHMD-UHFFFAOYSA-N 0 2 420.238 3.659 20 0 HHADLN CCOC(=O)C(C)(C)C1CCN(C(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436714077 981526720 /nfs/dbraw/zinc/52/67/20/981526720.db2.gz SMHJGLKNQDTOMF-UHFFFAOYSA-N 0 2 416.287 3.735 20 0 HHADLN O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CC1 ZINC000436753205 981546598 /nfs/dbraw/zinc/54/65/98/981546598.db2.gz CRFYQSVEGHWLLR-UHFFFAOYSA-N 0 2 410.857 3.904 20 0 HHADLN C[C@H](C(=O)Nc1ccc(NC(=O)c2c(O)cc(Cl)cc2Cl)cc1)n1cncn1 ZINC000436759380 981549889 /nfs/dbraw/zinc/54/98/89/981549889.db2.gz AQVDWVWQCVRQJW-SNVBAGLBSA-N 0 2 420.256 3.743 20 0 HHADLN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(F)cc(Cl)c1O)CC3 ZINC000436767584 981553372 /nfs/dbraw/zinc/55/33/72/981553372.db2.gz CKRUGEYADMAZTO-UHFFFAOYSA-N 0 2 402.809 3.651 20 0 HHADLN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1cc(F)cc(Cl)c1O ZINC000436776417 981556527 /nfs/dbraw/zinc/55/65/27/981556527.db2.gz VJQRIKPFEQJYGV-CYBMUJFWSA-N 0 2 419.884 3.932 20 0 HHADLN CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1 ZINC000436796870 981566402 /nfs/dbraw/zinc/56/64/02/981566402.db2.gz XMGXPTQIOONJAY-NSHDSACASA-N 0 2 424.822 3.838 20 0 HHADLN COc1cc(N[C@@H]2CCCN(C(=O)c3cc(F)cc(Cl)c3O)C2)cc(OC)c1 ZINC000436797003 981566429 /nfs/dbraw/zinc/56/64/29/981566429.db2.gz LTNKSAVPZSCOTB-CYBMUJFWSA-N 0 2 408.857 3.919 20 0 HHADLN CCC[NH+]1CCN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])CC1 ZINC000436827566 981578941 /nfs/dbraw/zinc/57/89/41/981578941.db2.gz UATFVQWWPCDBGX-UHFFFAOYSA-N 0 2 407.923 3.527 20 0 HHADLN O=C(c1cc(-c2ccccc2)cc(Cl)c1O)N1CCOCC2(CCOCC2)C1 ZINC000436842637 981586059 /nfs/dbraw/zinc/58/60/59/981586059.db2.gz DMQCQBJXNPXBCY-UHFFFAOYSA-N 0 2 401.890 3.982 20 0 HHADLN CO[C@H](C)C(=O)Nc1cccc(NC(=O)c2cc(F)cc(Br)c2O)c1 ZINC000436849251 981588849 /nfs/dbraw/zinc/58/88/49/981588849.db2.gz RKZNZBIFYBNCGU-SECBINFHSA-N 0 2 411.227 3.520 20 0 HHADLN O=C(NCc1nc2ccccc2n1C1CC1)c1cc(F)cc(Br)c1O ZINC000436851836 981590654 /nfs/dbraw/zinc/59/06/54/981590654.db2.gz MRBVNTQLWDRTAG-UHFFFAOYSA-N 0 2 404.239 3.908 20 0 HHADLN CCC(CC)N(CC)C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O ZINC000436858220 981594828 /nfs/dbraw/zinc/59/48/28/981594828.db2.gz ZUFBBTRPRHAYIE-UHFFFAOYSA-N 0 2 420.531 3.852 20 0 HHADLN Cc1nnc(-c2cccc(NC(=O)c3cc(F)cc(Br)c3O)c2)n1C ZINC000436859207 981595219 /nfs/dbraw/zinc/59/52/19/981595219.db2.gz RXQBKJFGEIZPQD-UHFFFAOYSA-N 0 2 405.227 3.650 20 0 HHADLN COc1ccccc1N1CCC(NC(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436865468 981596660 /nfs/dbraw/zinc/59/66/60/981596660.db2.gz UIAWJTJBEDNPRI-UHFFFAOYSA-N 0 2 423.282 3.701 20 0 HHADLN COc1cc(CN(C(=O)c2cc(F)cc(Br)c2O)C2CC2)ccc1O ZINC000436887398 981601757 /nfs/dbraw/zinc/60/17/57/981601757.db2.gz JMCWHBOMMYHPDS-UHFFFAOYSA-N 0 2 410.239 3.813 20 0 HHADLN CC[C@@H]1NC(=O)N(c2cccc(NC(=O)c3c(O)cc(Cl)cc3Cl)c2)C1=O ZINC000436915280 981621159 /nfs/dbraw/zinc/62/11/59/981621159.db2.gz PVEAHDRSTOFWKW-ZDUSSCGKSA-N 0 2 408.241 3.786 20 0 HHADLN CC(C)c1noc(CCCNC(=O)c2cc(Cl)cc(Br)c2O)n1 ZINC000436929782 981630237 /nfs/dbraw/zinc/63/02/37/981630237.db2.gz WBILEUDQHCEDIV-UHFFFAOYSA-N 0 2 402.676 3.677 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000436936142 981633170 /nfs/dbraw/zinc/63/31/70/981633170.db2.gz MPXYPHBGFAYAOS-AWEZNQCLSA-N 0 2 405.267 3.571 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(-c2nc([C@H](C)C3CC3)no2)c1 ZINC000436953085 981642927 /nfs/dbraw/zinc/64/29/27/981642927.db2.gz LJSYEDVSKBKPOA-GFCCVEGCSA-N 0 2 415.471 3.765 20 0 HHADLN Cc1ccccc1[C@H](C)c1noc(-c2cc(S(=O)(=O)N3CCCC3)ccc2O)n1 ZINC000436958163 981647139 /nfs/dbraw/zinc/64/71/39/981647139.db2.gz ZYOHSTPXOYHPAD-HNNXBMFYSA-N 0 2 413.499 3.687 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)ccc1O ZINC000436990105 981671639 /nfs/dbraw/zinc/67/16/39/981671639.db2.gz QTFKLSCRIDONJD-UHFFFAOYSA-N 0 2 424.887 3.757 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2nnc(Cc3ccccc3F)s2)c1 ZINC000437163785 981813854 /nfs/dbraw/zinc/81/38/54/981813854.db2.gz IGRZNQNMNVMJMV-UHFFFAOYSA-N 0 2 413.883 3.731 20 0 HHADLN C[C@@H]1CN(Cc2csc(NS(=O)(=O)c3cccc4ccccc43)n2)C[C@H](C)O1 ZINC000437168847 981821770 /nfs/dbraw/zinc/82/17/70/981821770.db2.gz RWPZJSFPJSPEBY-GASCZTMLSA-N 0 2 417.556 3.706 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)cc1C ZINC000437185998 981841992 /nfs/dbraw/zinc/84/19/92/981841992.db2.gz TXPHSGWOYVFAGD-UHFFFAOYSA-N 0 2 409.533 3.557 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)ccc1C ZINC000437189138 981844898 /nfs/dbraw/zinc/84/48/98/981844898.db2.gz ROJDMMAYDTWHHY-UHFFFAOYSA-N 0 2 409.533 3.557 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)N1CCOC(C)(C)C1 ZINC000448542991 981871003 /nfs/dbraw/zinc/87/10/03/981871003.db2.gz OUUKHIZCPMJURA-UHFFFAOYSA-N 0 2 421.494 3.578 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(Br)ccc3C)s[nH]2)c1 ZINC000460157372 981929341 /nfs/dbraw/zinc/92/93/41/981929341.db2.gz ZDFCFQZUQMBKTP-UHFFFAOYSA-N 0 2 404.289 3.959 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)c1 ZINC000437332628 981983349 /nfs/dbraw/zinc/98/33/49/981983349.db2.gz NROCETMKZBVNOU-UHFFFAOYSA-N 0 2 418.830 3.815 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2ncc(Cc3ccc(C)c(C)c3)s2)c1C ZINC000437337382 981987372 /nfs/dbraw/zinc/98/73/72/981987372.db2.gz AYXYWZRTLIHWQF-UHFFFAOYSA-N 0 2 404.561 3.985 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)c1C ZINC000437340081 981990277 /nfs/dbraw/zinc/99/02/77/981990277.db2.gz USFHDDUAADUUMH-UHFFFAOYSA-N 0 2 409.515 3.944 20 0 HHADLN O=S(=O)(Nc1ncc(Cc2ccccc2)s1)c1cnn(-c2ccccc2F)c1 ZINC000437340479 981991137 /nfs/dbraw/zinc/99/11/37/981991137.db2.gz WWCHHBCKEQPLEK-UHFFFAOYSA-N 0 2 414.487 3.860 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)cc1C ZINC000437341942 981992560 /nfs/dbraw/zinc/99/25/60/981992560.db2.gz YCLRXULVFLZJNI-UHFFFAOYSA-N 0 2 402.497 3.630 20 0 HHADLN Cc1ccsc1S(=O)(=O)Nc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000437346433 981995981 /nfs/dbraw/zinc/99/59/81/981995981.db2.gz XYQCWVZBOSLJJM-UHFFFAOYSA-N 0 2 402.501 3.574 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccccc1)c1ccc(Br)c(F)c1 ZINC000437412706 982054741 /nfs/dbraw/zinc/05/47/41/982054741.db2.gz YEZVYLVTBWQJLA-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cccc(F)c2C)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC000437415237 982056938 /nfs/dbraw/zinc/05/69/38/982056938.db2.gz XXQBAVSTEISQJC-UHFFFAOYSA-N 0 2 414.384 3.843 20 0 HHADLN Cc1nccc(-c2cccc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)c2)n1 ZINC000460412288 982196527 /nfs/dbraw/zinc/19/65/27/982196527.db2.gz MADNKJXOTZWVKC-UHFFFAOYSA-N 0 2 409.446 3.578 20 0 HHADLN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccnc2-c2ccc(C)s2)c1 ZINC000437652230 982270474 /nfs/dbraw/zinc/27/04/74/982270474.db2.gz HEAVFXIPMSWFHR-UHFFFAOYSA-N 0 2 422.553 3.713 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)c(F)c2)o1)c1ccccc1OC(F)(F)F ZINC000460542867 982329496 /nfs/dbraw/zinc/32/94/96/982329496.db2.gz GQJSFYPRSPRKMZ-UHFFFAOYSA-N 0 2 421.303 3.714 20 0 HHADLN O=S(=O)(Nc1ccc(F)c(C(F)(F)F)c1)c1cnn(-c2ccccc2F)c1 ZINC000460823938 982575677 /nfs/dbraw/zinc/57/56/77/982575677.db2.gz MFXDUQCZYXKWIT-UHFFFAOYSA-N 0 2 403.332 3.970 20 0 HHADLN O=S(=O)(Nc1ccc(-n2cccn2)c(Cl)c1)c1cnn(-c2ccccc2F)c1 ZINC000460827138 982578219 /nfs/dbraw/zinc/57/82/19/982578219.db2.gz JZRKBRBFSUCKSF-UHFFFAOYSA-N 0 2 417.853 3.651 20 0 HHADLN O=S(=O)(Nc1cnn(CC(F)F)c1)c1ccc(OCC(F)F)c2ccccc21 ZINC000460834056 982584029 /nfs/dbraw/zinc/58/40/29/982584029.db2.gz SRNDMYCHWMFBET-UHFFFAOYSA-N 0 2 417.384 3.746 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)cnn1-c1ccc(Cl)cc1 ZINC000460835186 982584907 /nfs/dbraw/zinc/58/49/07/982584907.db2.gz XZGGVOGEQBXMJB-UHFFFAOYSA-N 0 2 413.890 3.821 20 0 HHADLN C[C@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000460884810 982623025 /nfs/dbraw/zinc/62/30/25/982623025.db2.gz PKTVNCCCKDWDLE-ZDUSSCGKSA-N 0 2 419.407 3.963 20 0 HHADLN O=C(N[C@H]1c2ccccc2CC12CCOCC2)C1=NN(c2ccc(F)cc2)CC1=O ZINC000461034489 982736062 /nfs/dbraw/zinc/73/60/62/982736062.db2.gz UCBAOFKJUHWBAB-NRFANRHFSA-N 0 2 407.445 3.541 20 0 HHADLN COc1cc(OC)cc(-c2cccc(NS(=O)(=O)c3cc(F)c(F)c(F)c3)n2)c1 ZINC000461208740 982922703 /nfs/dbraw/zinc/92/27/03/982922703.db2.gz VMJKSNRKTAXALH-UHFFFAOYSA-N 0 2 424.400 3.984 20 0 HHADLN COCCCCc1cccnc1NS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000461212626 982925985 /nfs/dbraw/zinc/92/59/85/982925985.db2.gz JPHYVWKVGPLUNV-UHFFFAOYSA-N 0 2 413.337 3.922 20 0 HHADLN Cc1c2ccc(NS(=O)(=O)c3cc(F)c(Br)cc3F)cc2nn1C ZINC000461344936 983030138 /nfs/dbraw/zinc/03/01/38/983030138.db2.gz ODCQMDFTAXKFTN-UHFFFAOYSA-N 0 2 416.247 3.723 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cccc(COCC3CC3)c2)cn1 ZINC000438794067 983075047 /nfs/dbraw/zinc/07/50/47/983075047.db2.gz QXNSJKDIEFGMHQ-UHFFFAOYSA-N 0 2 413.499 3.608 20 0 HHADLN COc1ncccc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000438797757 983077430 /nfs/dbraw/zinc/07/74/30/983077430.db2.gz BDBOYOMPZITWOY-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cccc2c1CN(C(C)C)C2 ZINC000461425430 983088624 /nfs/dbraw/zinc/08/86/24/983088624.db2.gz UIZTZCGLRDUHRU-UHFFFAOYSA-N 0 2 408.907 3.651 20 0 HHADLN CCc1nnc(CNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)s1 ZINC000461474745 983133719 /nfs/dbraw/zinc/13/37/19/983133719.db2.gz RKFKMQHSVJULEF-UHFFFAOYSA-N 0 2 406.467 3.664 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)=N1 ZINC000438897355 983142309 /nfs/dbraw/zinc/14/23/09/983142309.db2.gz FBXLHAAHVUTQQL-CQSZACIVSA-N 0 2 404.470 3.516 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N(CC)Cc2ccc(C(=O)N(C)C)cc2)=N1 ZINC000438900466 983143875 /nfs/dbraw/zinc/14/38/75/983143875.db2.gz XDJKXDWSQUCRRK-UHFFFAOYSA-N 0 2 420.513 3.504 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N(C)Cc2cc(OC)c(OC)cc2C)=N1 ZINC000438907274 983147482 /nfs/dbraw/zinc/14/74/82/983147482.db2.gz MDUXKGIUDCNIKO-UHFFFAOYSA-N 0 2 409.486 3.738 20 0 HHADLN Cc1c([C@H](C)NC(=O)C2=NN(c3ccccc3)CC2=O)cnn1-c1ccc(F)cc1 ZINC000438938123 983165765 /nfs/dbraw/zinc/16/57/65/983165765.db2.gz NIQZFQXTUWTMMN-AWEZNQCLSA-N 0 2 405.433 3.702 20 0 HHADLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)sc1C(C)=O ZINC000439007762 983206628 /nfs/dbraw/zinc/20/66/28/983206628.db2.gz ZKDMZRPVAWPPDA-UHFFFAOYSA-N 0 2 416.546 3.682 20 0 HHADLN C[C@@H](Cn1cc[nH+]c1)NC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC000439008871 983207098 /nfs/dbraw/zinc/20/70/98/983207098.db2.gz WBMHAVWREDSITE-VIFPVBQESA-N 0 2 414.680 3.553 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)cc1N1C(=O)CCC1=O ZINC000439049180 983227410 /nfs/dbraw/zinc/22/74/10/983227410.db2.gz QYCVCUKPXHHMHS-UHFFFAOYSA-N 0 2 406.529 3.808 20 0 HHADLN COc1ccc(CNC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)cc1NC(C)=O ZINC000439140701 983270108 /nfs/dbraw/zinc/27/01/08/983270108.db2.gz IRFDNSLSRDMXDL-UHFFFAOYSA-N 0 2 422.485 3.598 20 0 HHADLN COc1cccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c1OC ZINC000439244079 983328529 /nfs/dbraw/zinc/32/85/29/983328529.db2.gz GGNCCOBMQDOLHH-UHFFFAOYSA-N 0 2 421.226 3.643 20 0 HHADLN CCc1nc(CC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cs1 ZINC000439247225 983329813 /nfs/dbraw/zinc/32/98/13/983329813.db2.gz NBEIWTMTZSRVQL-UHFFFAOYSA-N 0 2 410.272 3.573 20 0 HHADLN Cc1ccn2cc(C(=O)Nc3nc(-c4ccc(Br)cc4F)n[nH]3)nc2c1 ZINC000439252230 983332670 /nfs/dbraw/zinc/33/26/70/983332670.db2.gz XTPPHAMJAPSUMM-UHFFFAOYSA-N 0 2 415.226 3.582 20 0 HHADLN O=C(NCc1ccncc1OCC(F)(F)F)c1cc(F)cc(Br)c1O ZINC000439650238 983483882 /nfs/dbraw/zinc/48/38/82/983483882.db2.gz QLLNMPJYVUHUCV-UHFFFAOYSA-N 0 2 423.160 3.560 20 0 HHADLN O=S(=O)(Nc1nc(CN2CCOCC2)cs1)c1c(Cl)ccc2ccccc21 ZINC000439878377 983566259 /nfs/dbraw/zinc/56/62/59/983566259.db2.gz BUHDJBVYRRWMLF-UHFFFAOYSA-N 0 2 423.947 3.583 20 0 HHADLN C[C@@H]1CCCN(Cc2csc(NS(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)n2)C1 ZINC000439883508 983568719 /nfs/dbraw/zinc/56/87/19/983568719.db2.gz PCYCDJIOVFVOIZ-CQSZACIVSA-N 0 2 421.588 3.889 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c(F)cc1F ZINC000439884024 983569049 /nfs/dbraw/zinc/56/90/49/983569049.db2.gz ROUUDLVAEFRERZ-LLVKDONJSA-N 0 2 401.504 3.762 20 0 HHADLN Cc1ccc(-c2ccnn2C)cc1NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000439950506 983591945 /nfs/dbraw/zinc/59/19/45/983591945.db2.gz OMMNJODBNZEGAJ-UHFFFAOYSA-N 0 2 408.487 3.770 20 0 HHADLN O=C(N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)[C@H]1CCn2ccnc2C1 ZINC000439966391 983598456 /nfs/dbraw/zinc/59/84/56/983598456.db2.gz JVJOBMDHPBPDPZ-INIZCTEOSA-N 0 2 417.494 3.817 20 0 HHADLN CCc1c(-c2ccc(Br)cc2)n[nH]c1NS(=O)(=O)c1cccnc1 ZINC000440101347 983644718 /nfs/dbraw/zinc/64/47/18/983644718.db2.gz MKRQYIIVSXKMGR-UHFFFAOYSA-N 0 2 407.293 3.597 20 0 HHADLN COC(=O)COc1cccc(NS(=O)(=O)c2c(Cl)ccc3ccccc32)c1 ZINC000440297342 983710410 /nfs/dbraw/zinc/71/04/10/983710410.db2.gz VQDURUWJEUZZEN-UHFFFAOYSA-N 0 2 405.859 3.846 20 0 HHADLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccccc1Nc1ccccc1 ZINC000440821723 983922155 /nfs/dbraw/zinc/92/21/55/983922155.db2.gz BQVNQPOYXSXHML-UHFFFAOYSA-N 0 2 402.497 3.635 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@]1(CO)CCCc2ccccc21 ZINC000441792201 984456879 /nfs/dbraw/zinc/45/68/79/984456879.db2.gz YDYPJDKBCYVLII-FQEVSTJZSA-N 0 2 414.918 3.626 20 0 HHADLN CC[C@@H]1CCc2nc(NC(=O)NCc3nnc(COc4ccccc4)[nH]3)sc2C1 ZINC000441947458 984558244 /nfs/dbraw/zinc/55/82/44/984558244.db2.gz KHBNZJJGOPLQLE-CYBMUJFWSA-N 0 2 412.519 3.677 20 0 HHADLN Cc1cc(C)c(-c2cc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)[nH]n2)cc1C ZINC000442345611 984851680 /nfs/dbraw/zinc/85/16/80/984851680.db2.gz GZXSIQMDSOXCNX-UHFFFAOYSA-N 0 2 412.515 3.505 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(Br)c(F)c1 ZINC000442349825 984855972 /nfs/dbraw/zinc/85/59/72/984855972.db2.gz NAGPVIHULCQTNG-UHFFFAOYSA-N 0 2 402.241 3.566 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000442362193 984868205 /nfs/dbraw/zinc/86/82/05/984868205.db2.gz WBHKDVDOOPGTJU-INIZCTEOSA-N 0 2 419.499 3.530 20 0 HHADLN Cc1nc(-c2ccc(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)cc2)cs1 ZINC000462066344 985038562 /nfs/dbraw/zinc/03/85/62/985038562.db2.gz SAYGKZZJWOHSFU-UHFFFAOYSA-N 0 2 411.512 3.808 20 0 HHADLN Cc1ccc(-c2nsc(NS(=O)(=O)c3ccc(CC(F)(F)F)cc3)n2)s1 ZINC000442604196 985086506 /nfs/dbraw/zinc/08/65/06/985086506.db2.gz XEANQMICZYSIKZ-UHFFFAOYSA-N 0 2 419.475 3.903 20 0 HHADLN Cc1ccc(-c2nsc(NS(=O)(=O)c3ccc(OC(F)F)c(F)c3)n2)s1 ZINC000442606863 985088822 /nfs/dbraw/zinc/08/88/22/985088822.db2.gz QALAXRVDULAIFD-UHFFFAOYSA-N 0 2 421.447 3.538 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2SC)c(OC)c1 ZINC000442814050 985224573 /nfs/dbraw/zinc/22/45/73/985224573.db2.gz SVKNHVUBASJBSX-UHFFFAOYSA-N 0 2 401.893 3.658 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000442824151 985229260 /nfs/dbraw/zinc/22/92/60/985229260.db2.gz JOFSENIFCGPSGS-UHFFFAOYSA-N 0 2 418.496 3.618 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000442827860 985231997 /nfs/dbraw/zinc/23/19/97/985231997.db2.gz OUYKWCQGOBXVTE-UHFFFAOYSA-N 0 2 421.500 3.817 20 0 HHADLN CC[C@@]1(C)Oc2ccc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)cc2O1 ZINC000442840454 985239659 /nfs/dbraw/zinc/23/96/59/985239659.db2.gz DOBNSHDXKSUMIE-IBGZPJMESA-N 0 2 403.435 3.710 20 0 HHADLN Cc1ccsc1Cn1nccc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000442842837 985241704 /nfs/dbraw/zinc/24/17/04/985241704.db2.gz CCUILMWPJQLVTI-UHFFFAOYSA-N 0 2 402.423 3.516 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2cc3ccccc3[nH]2)c(F)c1Cl ZINC000462271724 985261063 /nfs/dbraw/zinc/26/10/63/985261063.db2.gz XNBYBRJNLWVLDP-UHFFFAOYSA-N 0 2 413.833 3.536 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H](C)c2ccc(C)cc2)c(F)c1Cl ZINC000462346203 985335555 /nfs/dbraw/zinc/33/55/55/985335555.db2.gz KNUKFNIZRZXWCN-LLVKDONJSA-N 0 2 416.877 3.967 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc2c(ccc(F)c2C)s1 ZINC000443142593 985404136 /nfs/dbraw/zinc/40/41/36/985404136.db2.gz IDEUWWOUHPUPBE-UHFFFAOYSA-N 0 2 400.478 3.701 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCCCOC2CCCCC2)c(F)c1Cl ZINC000462477376 985434535 /nfs/dbraw/zinc/43/45/35/985434535.db2.gz YVFUEBAXOLAXHQ-UHFFFAOYSA-N 0 2 424.897 3.594 20 0 HHADLN COCCOc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cn1 ZINC000443413392 985568577 /nfs/dbraw/zinc/56/85/77/985568577.db2.gz CEDRJZCAXHPIMO-UHFFFAOYSA-N 0 2 410.801 3.580 20 0 HHADLN O=S(=O)(Nc1nnc(C(F)(F)F)s1)c1ccc(Br)c(Cl)c1 ZINC000443416555 985571939 /nfs/dbraw/zinc/57/19/39/985571939.db2.gz ITMFSSNGLXFNPQ-UHFFFAOYSA-N 0 2 422.635 3.774 20 0 HHADLN CN(C)C(=O)c1ccc(NS(=O)(=O)c2cccc3c2OC(C)(C)C3)cc1Cl ZINC000443417272 985573706 /nfs/dbraw/zinc/57/37/06/985573706.db2.gz WIJPJKRRDNMCQU-UHFFFAOYSA-N 0 2 408.907 3.556 20 0 HHADLN Cc1cccc(COc2cccc(NS(=O)(=O)c3cnn([C@H]4CCOC4)c3)c2)c1 ZINC000443455935 985625027 /nfs/dbraw/zinc/62/50/27/985625027.db2.gz SFJKJUTWWLZRDC-IBGZPJMESA-N 0 2 413.499 3.533 20 0 HHADLN CC(C)(C)c1nc2ccc(NS(=O)(=O)c3cnn([C@H]4CCOC4)c3)cc2s1 ZINC000443460483 985633623 /nfs/dbraw/zinc/63/36/23/985633623.db2.gz KVJNOZUGJIKDET-ZDUSSCGKSA-N 0 2 406.533 3.553 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)c(F)c1Cl ZINC000462707446 985651475 /nfs/dbraw/zinc/65/14/75/985651475.db2.gz YSZNRKIMMXHUCM-IJLUTSLNSA-N 0 2 406.882 3.824 20 0 HHADLN O=S(=O)(Nc1ccc(OCC2CCCCC2)cc1)c1cnn([C@@H]2CCOC2)c1 ZINC000443479690 985654382 /nfs/dbraw/zinc/65/43/82/985654382.db2.gz YKOFBAPIAURXDO-GOSISDBHSA-N 0 2 405.520 3.604 20 0 HHADLN C[C@H](Nc1ccccc1NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)c1ccccc1 ZINC000443530699 985702793 /nfs/dbraw/zinc/70/27/93/985702793.db2.gz OHPQOSUVJFFXDH-FUHWJXTLSA-N 0 2 412.515 3.818 20 0 HHADLN COc1cccc([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000443578693 985754282 /nfs/dbraw/zinc/75/42/82/985754282.db2.gz GSDOACGJOHKHKD-CYBMUJFWSA-N 0 2 417.512 3.695 20 0 HHADLN Cc1ccccc1CCC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443586322 985761759 /nfs/dbraw/zinc/76/17/59/985761759.db2.gz ZNPSAOPOLPWCBC-UHFFFAOYSA-N 0 2 401.513 3.824 20 0 HHADLN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1n[nH]c(-c2ccccc2)c1Br ZINC000443668767 985874474 /nfs/dbraw/zinc/87/44/74/985874474.db2.gz VOOVWFLPLOZKBN-UHFFFAOYSA-N 0 2 409.247 3.877 20 0 HHADLN O=S(=O)(Cc1ncc(-c2ccccc2Br)o1)c1nc2ccccc2[nH]1 ZINC000462957581 985901492 /nfs/dbraw/zinc/90/14/92/985901492.db2.gz KKIKLNTYNIVYHV-UHFFFAOYSA-N 0 2 418.272 3.954 20 0 HHADLN CCC1(CC)Oc2ccc(NS(=O)(=O)c3cnc4c(Cl)c(C)nn4c3)cc2O1 ZINC000468353609 986049738 /nfs/dbraw/zinc/04/97/38/986049738.db2.gz RDXGRBNTXUWJEQ-UHFFFAOYSA-N 0 2 422.894 3.779 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000468355547 986052419 /nfs/dbraw/zinc/05/24/19/986052419.db2.gz HIWBNVKANHPJCC-VIFPVBQESA-N 0 2 409.813 3.972 20 0 HHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cnn2cc(Br)cnc12 ZINC000463110377 986072885 /nfs/dbraw/zinc/07/28/85/986072885.db2.gz YWUMSZAPKACIHM-UHFFFAOYSA-N 0 2 402.035 3.757 20 0 HHADLN C[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463160910 986132741 /nfs/dbraw/zinc/13/27/41/986132741.db2.gz LUMZCIRUMPCXEM-JTQLQIEISA-N 0 2 404.257 3.536 20 0 HHADLN CN(CC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)C(=O)c1cccs1 ZINC000463161304 986133533 /nfs/dbraw/zinc/13/35/33/986133533.db2.gz MPIFATGPSNMCII-UHFFFAOYSA-N 0 2 410.286 3.551 20 0 HHADLN Cn1ncc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c1-n1cccc1 ZINC000463161381 986133640 /nfs/dbraw/zinc/13/36/40/986133640.db2.gz IHOVFDQDACZXIU-UHFFFAOYSA-N 0 2 402.245 3.555 20 0 HHADLN C[C@H]1Oc2c(cccc2C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)NC1=O ZINC000463164943 986137040 /nfs/dbraw/zinc/13/70/40/986137040.db2.gz WKZKCPMNMSHZHI-MRVPVSSYSA-N 0 2 418.240 3.750 20 0 HHADLN C[C@@H]1Oc2c(cccc2C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)NC1=O ZINC000463164944 986137068 /nfs/dbraw/zinc/13/70/68/986137068.db2.gz WKZKCPMNMSHZHI-QMMMGPOBSA-N 0 2 418.240 3.750 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1ccc2c(c1)CCC(=O)N2 ZINC000463165909 986137619 /nfs/dbraw/zinc/13/76/19/986137619.db2.gz XRDLAWNPISSXHG-UHFFFAOYSA-N 0 2 402.241 3.916 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1cn(Cc2cccs2)nn1 ZINC000463166188 986137840 /nfs/dbraw/zinc/13/78/40/986137840.db2.gz YBONKRCZMMSNSE-UHFFFAOYSA-N 0 2 420.285 3.732 20 0 HHADLN O=C(CC1CCCCC1)NCC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463173709 986146044 /nfs/dbraw/zinc/14/60/44/986146044.db2.gz UUECWZSZPXFUOE-UHFFFAOYSA-N 0 2 410.305 3.804 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccc2)o1)c1ccc(Br)c(Cl)c1 ZINC000444055800 986255961 /nfs/dbraw/zinc/25/59/61/986255961.db2.gz HTWBXUSVFUIRHY-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OC(C)C)nc1 ZINC000468549644 986256524 /nfs/dbraw/zinc/25/65/24/986256524.db2.gz VFMBUTBRLNAYGY-CYBMUJFWSA-N 0 2 414.911 3.737 20 0 HHADLN Cc1ccc(Cn2nccc2NS(=O)(=O)c2cc(C)cc(Br)c2)o1 ZINC000444057646 986259192 /nfs/dbraw/zinc/25/91/92/986259192.db2.gz VGIBXYHCMCLYBF-UHFFFAOYSA-N 0 2 410.293 3.705 20 0 HHADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1nnc(-c2ccccc2)o1 ZINC000444062095 986263692 /nfs/dbraw/zinc/26/36/92/986263692.db2.gz HYGKUKMDYPAYBS-UHFFFAOYSA-N 0 2 424.276 3.617 20 0 HHADLN CSc1ccccc1S(=O)(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000444194247 986371192 /nfs/dbraw/zinc/37/11/92/986371192.db2.gz MHTPXWLJZJPUEV-HNNXBMFYSA-N 0 2 400.529 3.719 20 0 HHADLN O=C(NCCC1=CCCCCC1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000468670838 986378880 /nfs/dbraw/zinc/37/88/80/986378880.db2.gz BLANZNBJEMRKKO-UHFFFAOYSA-N 0 2 405.545 3.954 20 0 HHADLN Cc1n[nH]cc1S(=O)(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000463446933 986426689 /nfs/dbraw/zinc/42/66/89/986426689.db2.gz UTXCLUOCXYOJNL-UHFFFAOYSA-N 0 2 408.842 3.564 20 0 HHADLN Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@@H](Cc3csc4ccccc34)C1)c2=O ZINC000468726363 986439475 /nfs/dbraw/zinc/43/94/75/986439475.db2.gz UPWYEJRQJLXIAY-AWEZNQCLSA-N 0 2 406.511 3.984 20 0 HHADLN Cc1ccccc1[C@@H]1CN(C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)[C@@H](C)CO1 ZINC000468744237 986457866 /nfs/dbraw/zinc/45/78/66/986457866.db2.gz PTINJXCHJFAAED-KKSFZXQISA-N 0 2 409.461 3.936 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000468821782 986531657 /nfs/dbraw/zinc/53/16/57/986531657.db2.gz DNWXKAHFMMXLNZ-UHFFFAOYSA-N 0 2 411.348 3.810 20 0 HHADLN Cc1ccc(CS(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1F ZINC000468988391 986694327 /nfs/dbraw/zinc/69/43/27/986694327.db2.gz QANKKRVBZUDPRU-UHFFFAOYSA-N 0 2 420.487 3.971 20 0 HHADLN COC(=O)[C@@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccsc1 ZINC000468991030 986697038 /nfs/dbraw/zinc/69/70/38/986697038.db2.gz QJVPKDJALJSSEU-NSHDSACASA-N 0 2 413.826 3.613 20 0 HHADLN COCc1ccc(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)cc1 ZINC000469005083 986710702 /nfs/dbraw/zinc/71/07/02/986710702.db2.gz QGDQITSMBUPALH-UHFFFAOYSA-N 0 2 401.469 3.899 20 0 HHADLN CN(C(=O)N=c1nc(C(C)(C)C)[nH]s1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000444900049 987048555 /nfs/dbraw/zinc/04/85/55/987048555.db2.gz RMTBBAFBMNSNII-STQMWFEESA-N 0 2 415.346 3.686 20 0 HHADLN NC(=O)[C@@H]1CCC[C@H](C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)C1 ZINC000469378193 987074720 /nfs/dbraw/zinc/07/47/20/987074720.db2.gz BWYRXOJOYQFHLI-ZBFHGGJFSA-N 0 2 422.510 3.650 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@@H](C)c3ccc(NC(N)=O)cc3)=N2)c1 ZINC000469507519 987184266 /nfs/dbraw/zinc/18/42/66/987184266.db2.gz XVOJXPDZSBDCQX-AWEZNQCLSA-N 0 2 407.474 3.683 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(-c3ccc4cc[nH]c4n3)no2)cc1 ZINC000445581221 987647202 /nfs/dbraw/zinc/64/72/02/987647202.db2.gz ZROPJCKTAPATCL-UHFFFAOYSA-N 0 2 424.467 3.537 20 0 HHADLN CC(C)C[C@@H](C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCCCC1=O ZINC000445783623 987846382 /nfs/dbraw/zinc/84/63/82/987846382.db2.gz PMKJAYJAQBWYSK-HNNXBMFYSA-N 0 2 406.939 3.646 20 0 HHADLN O=S(=O)(Nc1ccccc1O[C@H]1CCOC1)c1ccc(F)cc1C(F)(F)F ZINC000470460907 988446524 /nfs/dbraw/zinc/44/65/24/988446524.db2.gz UHUJIRBUXNKZNX-LBPRGKRZSA-N 0 2 405.369 3.813 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2cc(-c3ccccc3C)nn2C)cc1OC ZINC000470786200 988840215 /nfs/dbraw/zinc/84/02/15/988840215.db2.gz NKYDGBDDIJHJKR-UHFFFAOYSA-N 0 2 401.488 3.522 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3nc4c(ccc(F)c4C)s3)cc2C[C@@H]1C ZINC000464909558 989185175 /nfs/dbraw/zinc/18/51/75/989185175.db2.gz DLWHCTDDGQTUDC-JTQLQIEISA-N 0 2 419.503 3.842 20 0 HHADLN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)C1 ZINC000471295798 989456542 /nfs/dbraw/zinc/45/65/42/989456542.db2.gz HVANOVRFXDQLPK-HNNXBMFYSA-N 0 2 424.888 3.722 20 0 HHADLN CCCCc1cc(NS(=O)(=O)c2cc(Cl)c(OC)cc2Br)[nH]n1 ZINC000471494826 989691839 /nfs/dbraw/zinc/69/18/39/989691839.db2.gz FHSNULIKOABHEL-UHFFFAOYSA-N 0 2 422.732 3.978 20 0 HHADLN C[C@H]1Cc2cc(S(=O)(=O)Nc3nnc(C(C)(C)c4ccccc4)s3)ccc2O1 ZINC000471497667 989695841 /nfs/dbraw/zinc/69/58/41/989695841.db2.gz YMUQRMGCRKLGNU-ZDUSSCGKSA-N 0 2 415.540 3.988 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3ccco3)s2)ccc1Br ZINC000471502306 989699703 /nfs/dbraw/zinc/69/97/03/989699703.db2.gz DREMJVVATKZPIY-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2cccc3c2OCCO3)s1)c1ccccc1 ZINC000471511351 989710293 /nfs/dbraw/zinc/71/02/93/989710293.db2.gz HLLHXNJCAAQTBA-CQSZACIVSA-N 0 2 417.512 3.652 20 0 HHADLN CCCc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(OC)c3)s2)cc1 ZINC000471515555 989714332 /nfs/dbraw/zinc/71/43/32/989714332.db2.gz KYOSNUXWZRFICF-UHFFFAOYSA-N 0 2 403.529 3.891 20 0 HHADLN O=S(=O)(Nc1ccc2c[nH]nc2c1)c1cc(Cl)c(Br)cc1F ZINC000471611531 989816740 /nfs/dbraw/zinc/81/67/40/989816740.db2.gz PVMSITCXNFRULR-UHFFFAOYSA-N 0 2 404.648 3.919 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)c2cc(I)ccc2Cl)s[nH]1 ZINC000471695899 989898699 /nfs/dbraw/zinc/89/86/99/989898699.db2.gz FCMULUHPDVXGPA-UHFFFAOYSA-N 0 2 421.691 3.768 20 0 HHADLN O=C(Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1ccc2sccc2c1 ZINC000471802587 989986622 /nfs/dbraw/zinc/98/66/22/989986622.db2.gz CTHLYCOZDWHLDP-UHFFFAOYSA-N 0 2 416.509 3.806 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000471899629 990070069 /nfs/dbraw/zinc/07/00/69/990070069.db2.gz BVDYRYZPHLPAKU-UHFFFAOYSA-N 0 2 416.450 3.770 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1N1CCOCC1)c1c[nH]c2cccc(F)c21 ZINC000471926546 990092477 /nfs/dbraw/zinc/09/24/77/990092477.db2.gz FFAXEKYXPYKZNY-UHFFFAOYSA-N 0 2 409.870 3.598 20 0 HHADLN COCCc1ccccc1NS(=O)(=O)c1cnn(-c2cc(Cl)ccc2OC)c1 ZINC000466409183 991702866 /nfs/dbraw/zinc/70/28/66/991702866.db2.gz KYUWTKSRIYZVNW-UHFFFAOYSA-N 0 2 421.906 3.524 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cnn(-c2ccc(C)cc2C)c1 ZINC000466430810 991719469 /nfs/dbraw/zinc/71/94/69/991719469.db2.gz KYNMWMMMOJPNEJ-UHFFFAOYSA-N 0 2 401.536 3.759 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000466472812 991764153 /nfs/dbraw/zinc/76/41/53/991764153.db2.gz INYUKIQTWOMIRE-MRXNPFEDSA-N 0 2 400.891 3.886 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2CC)c1 ZINC000466483288 991774371 /nfs/dbraw/zinc/77/43/71/991774371.db2.gz UJAVUEJGJNKAEI-UHFFFAOYSA-N 0 2 417.462 3.551 20 0 HHADLN Cc1cccc2sc(NS(=O)(=O)c3ccc(OC[C@H]4CCOC4)c(F)c3)nc21 ZINC000467016114 992323583 /nfs/dbraw/zinc/32/35/83/992323583.db2.gz JHPQQXFLTAEFGD-ZDUSSCGKSA-N 0 2 422.503 3.960 20 0 HHADLN Cc1cccc2sc(NS(=O)(=O)c3ccc(OC[C@@H]4CCOC4)c(F)c3)nc21 ZINC000467016113 992323630 /nfs/dbraw/zinc/32/36/30/992323630.db2.gz JHPQQXFLTAEFGD-CYBMUJFWSA-N 0 2 422.503 3.960 20 0 HHADLN Cc1sc2nc([C@H](C)N(C)Cc3nc(=O)c4sccc4[nH]3)nc(N)c2c1C ZINC000467477147 992768276 /nfs/dbraw/zinc/76/82/76/992768276.db2.gz WJAQUZALICDPHY-VIFPVBQESA-N 0 2 400.533 3.794 20 0 HHADLN Cc1ccc([C@@H]2CCN(C(=O)NCc3nnc(COc4ccccc4)[nH]3)C2)c(C)c1 ZINC000472180807 993222290 /nfs/dbraw/zinc/22/22/90/993222290.db2.gz GGHYLEBPZXJKKH-GOSISDBHSA-N 0 2 405.502 3.700 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000472182074 993223813 /nfs/dbraw/zinc/22/38/13/993223813.db2.gz LHQISRFJGRIOET-WMZOPIPTSA-N 0 2 409.465 3.658 20 0 HHADLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)c1 ZINC000472434982 993436976 /nfs/dbraw/zinc/43/69/76/993436976.db2.gz WSFDKGCEWWGSGB-UHFFFAOYSA-N 0 2 423.903 3.754 20 0 HHADLN CCc1c(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cnn1-c1ccccc1C ZINC000472515754 993509008 /nfs/dbraw/zinc/50/90/08/993509008.db2.gz LZGFXQZXFSMNED-UHFFFAOYSA-N 0 2 407.499 3.726 20 0 HHADLN CC[C@@H]1CN(C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)[C@@H](CC)CN1C(C)=O ZINC000472614715 993562709 /nfs/dbraw/zinc/56/27/09/993562709.db2.gz XSXRUZVLMIQVPY-MOPGFXCFSA-N 0 2 412.534 3.563 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(OC)cc3OCC3CC3)s[nH]2)c1 ZINC000472809514 993746009 /nfs/dbraw/zinc/74/60/09/993746009.db2.gz OLBFIBCZFJDKGV-UHFFFAOYSA-N 0 2 411.483 3.685 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cc(NC(=O)C(C)(C)C)ccc2C)cc1OC ZINC000481142181 993975844 /nfs/dbraw/zinc/97/58/44/993975844.db2.gz MSZSTCUNYBOBRZ-UHFFFAOYSA-N 0 2 424.494 3.937 20 0 HHADLN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000481290709 994106273 /nfs/dbraw/zinc/10/62/73/994106273.db2.gz AZBWHAXWPZQBJF-UHFFFAOYSA-N 0 2 406.467 3.924 20 0 HHADLN COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473408080 994261387 /nfs/dbraw/zinc/26/13/87/994261387.db2.gz OHIVFJSVWWBJOH-UHFFFAOYSA-N 0 2 408.234 3.729 20 0 HHADLN CCOc1ccc(OCC)c(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)c1 ZINC000473488668 994333147 /nfs/dbraw/zinc/33/31/47/994333147.db2.gz PVRDQCYOJZVFOP-UHFFFAOYSA-N 0 2 411.462 3.503 20 0 HHADLN Cc1coc(-c2ccc(C)c(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)c2)n1 ZINC000481584578 994427168 /nfs/dbraw/zinc/42/71/68/994427168.db2.gz ZZTPGQASJIWFMT-UHFFFAOYSA-N 0 2 409.471 3.648 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)cc1CO ZINC000481597653 994445157 /nfs/dbraw/zinc/44/51/57/994445157.db2.gz YDDRBCYQEKCPFV-UHFFFAOYSA-N 0 2 410.542 3.872 20 0 HHADLN COc1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(C)cc1Br ZINC000481606797 994458189 /nfs/dbraw/zinc/45/81/89/994458189.db2.gz JPPSMVWQVJBKEP-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(COC3CCCC3)cc2)cnn1-c1ccccn1 ZINC000481611431 994467035 /nfs/dbraw/zinc/46/70/35/994467035.db2.gz RRWCMDVYMHFJHO-UHFFFAOYSA-N 0 2 412.515 3.836 20 0 HHADLN Cc1ccc([C@H](NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)c2ccccn2)cc1 ZINC000473595463 994474532 /nfs/dbraw/zinc/47/45/32/994474532.db2.gz ZRKNEQMJZZRHPD-NRFANRHFSA-N 0 2 402.429 3.940 20 0 HHADLN COc1ccc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)c(C(F)(F)F)c1 ZINC000473665310 994553005 /nfs/dbraw/zinc/55/30/05/994553005.db2.gz OHQHMTYUYLOEBR-UHFFFAOYSA-N 0 2 421.379 3.733 20 0 HHADLN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1)c1cc2nccnc2cc1F ZINC000473689102 994579403 /nfs/dbraw/zinc/57/94/03/994579403.db2.gz IIFOOAGJVLZICV-UHFFFAOYSA-N 0 2 402.311 3.825 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000473727249 994622326 /nfs/dbraw/zinc/62/23/26/994622326.db2.gz WRUCCOPIGBLVJT-QMMMGPOBSA-N 0 2 408.211 3.601 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c1 ZINC000473757426 994668282 /nfs/dbraw/zinc/66/82/82/994668282.db2.gz SDHOXAWPJSMCJL-UHFFFAOYSA-N 0 2 417.228 3.734 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3nnc(C(C)C)s3)cc2c1C ZINC000473759760 994672024 /nfs/dbraw/zinc/67/20/24/994672024.db2.gz HPVHSCDPVOKDEF-UHFFFAOYSA-N 0 2 409.489 3.694 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c(Br)c1 ZINC000481824509 994675802 /nfs/dbraw/zinc/67/58/02/994675802.db2.gz YFQZWTUSQIYOSR-VIFPVBQESA-N 0 2 417.350 3.840 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)o2)cc1 ZINC000481842916 994698092 /nfs/dbraw/zinc/69/80/92/994698092.db2.gz DMZXQUJBXUMDPP-UHFFFAOYSA-N 0 2 409.851 3.598 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3ccc(C(=O)C(C)C)cc3)o2)cc1 ZINC000481845853 994700960 /nfs/dbraw/zinc/70/09/60/994700960.db2.gz WUVQXBKRKJZUJE-UHFFFAOYSA-N 0 2 415.471 3.775 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3cc(F)ccc3C)s2)cc1 ZINC000481846812 994702638 /nfs/dbraw/zinc/70/26/38/994702638.db2.gz KMKBUYVQFHTOLW-UHFFFAOYSA-N 0 2 421.475 3.630 20 0 HHADLN CCOC(=O)c1cccc(S(=O)(=O)Nc2nnc(-c3cc(F)ccc3C)s2)c1 ZINC000481864007 994724123 /nfs/dbraw/zinc/72/41/23/994724123.db2.gz YACPNMWBSFVZKB-UHFFFAOYSA-N 0 2 421.475 3.630 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1ccc2c(c1)COC2 ZINC000481865245 994726082 /nfs/dbraw/zinc/72/60/82/994726082.db2.gz VAYADZDSKRFKLQ-UHFFFAOYSA-N 0 2 411.867 3.829 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3oc4ccc(F)cc4c3C)o2)c1 ZINC000481883524 994748753 /nfs/dbraw/zinc/74/87/53/994748753.db2.gz PVRSMRAWNDZKQA-UHFFFAOYSA-N 0 2 417.418 3.664 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc2cc(F)c(C)cc2s1 ZINC000481889212 994756951 /nfs/dbraw/zinc/75/69/51/994756951.db2.gz LGQMIRUIDWDLGD-UHFFFAOYSA-N 0 2 400.478 3.701 20 0 HHADLN NC(=O)c1ccccc1Oc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000481956852 994840467 /nfs/dbraw/zinc/84/04/67/994840467.db2.gz DQAFWAXTRMUQFK-UHFFFAOYSA-N 0 2 422.384 3.796 20 0 HHADLN CCOC(=O)c1oc(NS(=O)(=O)c2csc3ccc(Cl)cc23)nc1C ZINC000481962216 994849236 /nfs/dbraw/zinc/84/92/36/994849236.db2.gz JEHUFWBXYXKRQJ-UHFFFAOYSA-N 0 2 400.865 3.829 20 0 HHADLN Cc1cccc(C2(NC(=O)NCc3nnc(COc4ccccc4)[nH]3)CCCC2)c1 ZINC000473938116 994911867 /nfs/dbraw/zinc/91/18/67/994911867.db2.gz CJTTWAUULYMPDC-UHFFFAOYSA-N 0 2 405.502 3.961 20 0 HHADLN CC(C)c1ccc(C[C@@H](C)NC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000474020031 995010858 /nfs/dbraw/zinc/01/08/58/995010858.db2.gz JFWYOPSQRNIZSC-QGZVFWFLSA-N 0 2 407.518 3.938 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000474030479 995021479 /nfs/dbraw/zinc/02/14/79/995021479.db2.gz JUIVRBQPASHKIZ-QGZVFWFLSA-N 0 2 423.370 3.626 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NCC1(Cc2ccccc2)CCC1 ZINC000474044597 995035162 /nfs/dbraw/zinc/03/51/62/995035162.db2.gz OANMQYOESXOWPY-UHFFFAOYSA-N 0 2 405.502 3.596 20 0 HHADLN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474045797 995035835 /nfs/dbraw/zinc/03/58/35/995035835.db2.gz RCNYYIAEKHWYNQ-KRWDZBQOSA-N 0 2 423.517 3.869 20 0 HHADLN C[C@@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1cccc(N2CCCC2)c1 ZINC000474049746 995039084 /nfs/dbraw/zinc/03/90/84/995039084.db2.gz BYYCREACQHHQJL-QGZVFWFLSA-N 0 2 420.517 3.544 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000474079184 995063800 /nfs/dbraw/zinc/06/38/00/995063800.db2.gz CWTMIYNCHGXCTK-MRXNPFEDSA-N 0 2 411.893 3.736 20 0 HHADLN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474083060 995067025 /nfs/dbraw/zinc/06/70/25/995067025.db2.gz OAPIEAYOVXDWOD-CYBMUJFWSA-N 0 2 401.417 3.565 20 0 HHADLN Cc1cccc(C2=CCN(C(=O)NCc3nnc(COc4ccccc4)[nH]3)CC2)c1 ZINC000474084856 995068145 /nfs/dbraw/zinc/06/81/45/995068145.db2.gz TYFXDIZAAQBYLD-UHFFFAOYSA-N 0 2 403.486 3.691 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCC[C@@H]1/C=C/c1ccccc1 ZINC000474088169 995071074 /nfs/dbraw/zinc/07/10/74/995071074.db2.gz HIEXDLUDSVKYCZ-JKIKYLSZSA-N 0 2 403.486 3.771 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCC(Cc2ccccc2F)CC1 ZINC000474088069 995071196 /nfs/dbraw/zinc/07/11/96/995071196.db2.gz MRAUAZGZYJMBLM-UHFFFAOYSA-N 0 2 423.492 3.687 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccc2)s1)c1ccc(F)c(Br)c1 ZINC000474430441 995394087 /nfs/dbraw/zinc/39/40/87/995394087.db2.gz HAAXTCJHRWMVDR-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccc2)s1)c1ccc(OCC(F)(F)F)cc1 ZINC000474436079 995398124 /nfs/dbraw/zinc/39/81/24/995398124.db2.gz UREZJKIVYCALAF-UHFFFAOYSA-N 0 2 415.418 3.947 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cccc2c3c([nH]c21)CCCC3 ZINC000474573752 995535569 /nfs/dbraw/zinc/53/55/69/995535569.db2.gz GOVVHYOOVMTIIL-UHFFFAOYSA-N 0 2 401.470 3.674 20 0 HHADLN Cc1nc(-c2ccsc2)ccc1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474588935 995547416 /nfs/dbraw/zinc/54/74/16/995547416.db2.gz GOXCCJTZAWGDDZ-UHFFFAOYSA-N 0 2 405.483 3.746 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N(C)C[C@@H]3COc4ccccc4O3)=N2)cc1 ZINC000474589719 995548391 /nfs/dbraw/zinc/54/83/91/995548391.db2.gz NCFYSRYWDJPCNV-GOSISDBHSA-N 0 2 407.470 3.613 20 0 HHADLN O=C(CSCc1ccc(Cl)cc1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474590964 995549376 /nfs/dbraw/zinc/54/93/76/995549376.db2.gz CKWONKHPNPRYMZ-UHFFFAOYSA-N 0 2 402.907 3.587 20 0 HHADLN C[C@H](C(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc(Br)s1 ZINC000474595043 995553324 /nfs/dbraw/zinc/55/33/24/995553324.db2.gz WZVBCCXCCWYQTH-NSHDSACASA-N 0 2 421.320 3.628 20 0 HHADLN Cc1cccc(I)c1C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000474650736 995596525 /nfs/dbraw/zinc/59/65/25/995596525.db2.gz UXNGVAKKTJNTFJ-UHFFFAOYSA-N 0 2 421.263 3.792 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000474659426 995605550 /nfs/dbraw/zinc/60/55/50/995605550.db2.gz JGVJJAFSTIUFAI-SJLPKXTDSA-N 0 2 409.465 3.658 20 0 HHADLN CCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1F ZINC000474937027 995812076 /nfs/dbraw/zinc/81/20/76/995812076.db2.gz YVJKKSFWWDVTLB-UHFFFAOYSA-N 0 2 418.375 3.889 20 0 HHADLN Cc1cccc2c(=O)c(C(=O)N3CCCC[C@H]3CNC(=O)Nc3ccccc3)c[nH]c12 ZINC000483158399 996008828 /nfs/dbraw/zinc/00/88/28/996008828.db2.gz LUYJWQMKRADKJC-SFHVURJKSA-N 0 2 418.497 3.653 20 0 HHADLN COc1ccccc1[C@H](NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1)c1ccco1 ZINC000483196279 996031462 /nfs/dbraw/zinc/03/14/62/996031462.db2.gz LFVDBSHVDVIVSP-SFHVURJKSA-N 0 2 424.482 3.930 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000483201165 996034699 /nfs/dbraw/zinc/03/46/99/996034699.db2.gz SYOCMKYCAHKJAB-UHFFFAOYSA-N 0 2 402.403 3.600 20 0 HHADLN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000483226849 996047695 /nfs/dbraw/zinc/04/76/95/996047695.db2.gz SUPMUSHYKNWBCF-SECBINFHSA-N 0 2 410.375 3.729 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CCOC3(CCCC3)C2)cc1 ZINC000483290957 996083235 /nfs/dbraw/zinc/08/32/35/996083235.db2.gz CQAMSAQYIABAEZ-UHFFFAOYSA-N 0 2 420.556 3.643 20 0 HHADLN Cc1ccc2c(n1)[nH]cc(C(=O)N1CCO[C@@H](c3cccc(C(F)(F)F)c3)C1)c2=O ZINC000475466034 996159417 /nfs/dbraw/zinc/15/94/17/996159417.db2.gz LCFBRFSHGVCZRS-QGZVFWFLSA-N 0 2 417.387 3.876 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)cc1F ZINC000475743392 996342082 /nfs/dbraw/zinc/34/20/82/996342082.db2.gz GZBNGRLRUSSSTM-UHFFFAOYSA-N 0 2 408.470 3.629 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(C)c2O)c(Br)c1 ZINC000475816256 996389201 /nfs/dbraw/zinc/38/92/01/996389201.db2.gz GNIIFTOFZCIWPA-UHFFFAOYSA-N 0 2 406.685 3.926 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)c(Br)c1 ZINC000475818670 996390757 /nfs/dbraw/zinc/39/07/57/996390757.db2.gz YYGZVUWJQMVAGX-UHFFFAOYSA-N 0 2 420.288 3.716 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cc(-c4cccnc4)ccc3C)cnc2c1Cl ZINC000475828730 996397740 /nfs/dbraw/zinc/39/77/40/996397740.db2.gz HHBXMJOTWWZSMR-UHFFFAOYSA-N 0 2 413.890 3.862 20 0 HHADLN Cc1ccc(-c2cccnc2)cc1NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000475839267 996407135 /nfs/dbraw/zinc/40/71/35/996407135.db2.gz ZBPOARKGOSGJHK-UHFFFAOYSA-N 0 2 411.458 3.882 20 0 HHADLN O=S(=O)(Nc1nc2ccc(Br)cn2n1)c1cccc(Cl)c1Cl ZINC000484021894 996526496 /nfs/dbraw/zinc/52/64/96/996526496.db2.gz OWIRBBSCPKPBMX-UHFFFAOYSA-N 0 2 422.091 3.599 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1F ZINC000476090127 996588217 /nfs/dbraw/zinc/58/82/17/996588217.db2.gz MCAXAAQOHYUGQM-NSHDSACASA-N 0 2 401.504 3.762 20 0 HHADLN CC1CCN(Cc2csc(NC(=O)c3[nH]cnc3C(=O)c3ccccc3)n2)CC1 ZINC000484232073 996649081 /nfs/dbraw/zinc/64/90/81/996649081.db2.gz HFDGHXZBJRACPO-UHFFFAOYSA-N 0 2 409.515 3.581 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc4cnn(C(C)C)c4nc3C)s[nH]2)c1 ZINC000476325473 996756738 /nfs/dbraw/zinc/75/67/38/996756738.db2.gz PQLCMJWYWBINSE-UHFFFAOYSA-N 0 2 408.487 3.522 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(OC)c(Br)c3)s[nH]2)c1 ZINC000476369092 996801869 /nfs/dbraw/zinc/80/18/69/996801869.db2.gz WTUDILYNRUQUSW-UHFFFAOYSA-N 0 2 420.288 3.659 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2c(C)cccc2OC(F)F)c1 ZINC000484482839 996803292 /nfs/dbraw/zinc/80/32/92/996803292.db2.gz AQOIDKCKTJWYGT-UHFFFAOYSA-N 0 2 403.378 3.713 20 0 HHADLN CCOc1ccc(OC)cc1NS(=O)(=O)c1cc(OC)ccc1Br ZINC000476424094 996891138 /nfs/dbraw/zinc/89/11/38/996891138.db2.gz QGLPXLOVTJNOIS-UHFFFAOYSA-N 0 2 416.293 3.666 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3cccs3)o2)c(Cl)c1Cl ZINC000476426393 996895078 /nfs/dbraw/zinc/89/50/78/996895078.db2.gz KTKUVRBXMXTHOV-UHFFFAOYSA-N 0 2 406.272 3.914 20 0 HHADLN CCCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476426811 996895360 /nfs/dbraw/zinc/89/53/60/996895360.db2.gz YSSQIOHHDFHYFF-UHFFFAOYSA-N 0 2 417.512 3.985 20 0 HHADLN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc(C)c1F ZINC000484561360 996895300 /nfs/dbraw/zinc/89/53/00/996895300.db2.gz IFFNFZQWBJTZKU-UHFFFAOYSA-N 0 2 405.476 3.952 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000484591860 996924657 /nfs/dbraw/zinc/92/46/57/996924657.db2.gz PFZKDUKAFCOUPW-UHFFFAOYSA-N 0 2 421.393 3.679 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000484632641 996966919 /nfs/dbraw/zinc/96/69/19/996966919.db2.gz YSEWGXGPAXLZPP-UHFFFAOYSA-N 0 2 422.503 3.722 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2cc(F)ccc2OC(F)F)c1 ZINC000484687044 997025164 /nfs/dbraw/zinc/02/51/64/997025164.db2.gz DIUJUBMFDHJTDA-UHFFFAOYSA-N 0 2 407.341 3.544 20 0 HHADLN Cc1ccc([C@H](C)CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000476555992 997048130 /nfs/dbraw/zinc/04/81/30/997048130.db2.gz ZROSMBYNHSVMCW-OAHLLOKOSA-N 0 2 415.540 3.786 20 0 HHADLN Cc1ccc(NC(=O)C(=O)NCC2(C)CCC(C)CC2)c(OC[C@@H]2CCCO2)c1 ZINC000484709783 997048790 /nfs/dbraw/zinc/04/87/90/997048790.db2.gz WULDWXJDTBHOGY-HRZDDSQGSA-N 0 2 402.535 3.824 20 0 HHADLN CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)CCC2 ZINC000476574066 997073005 /nfs/dbraw/zinc/07/30/05/997073005.db2.gz FETMDTMGGISHJJ-INIZCTEOSA-N 0 2 400.548 3.513 20 0 HHADLN CC[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(C)cs1 ZINC000476712093 997254997 /nfs/dbraw/zinc/25/49/97/997254997.db2.gz FEVLGUGKCRRWKH-CQSZACIVSA-N 0 2 422.557 3.590 20 0 HHADLN Cc1cc(C)c(CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)c1 ZINC000476723790 997270775 /nfs/dbraw/zinc/27/07/75/997270775.db2.gz DZSBTVHCNGGMBL-UHFFFAOYSA-N 0 2 415.540 3.799 20 0 HHADLN CC(C)c1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000476729908 997280072 /nfs/dbraw/zinc/28/00/72/997280072.db2.gz JYKRSDWOSYZQFK-UHFFFAOYSA-N 0 2 415.540 3.997 20 0 HHADLN CCSCC[C@@H](C)N(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476730624 997280853 /nfs/dbraw/zinc/28/08/53/997280853.db2.gz LFUSFNOKPUXYMV-CYBMUJFWSA-N 0 2 413.590 3.548 20 0 HHADLN C[C@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476742377 997294152 /nfs/dbraw/zinc/29/41/52/997294152.db2.gz GMYPUDRYWWYLPF-CYBMUJFWSA-N 0 2 419.503 3.916 20 0 HHADLN O=C(NCc1ccc(Cl)s1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476743211 997295272 /nfs/dbraw/zinc/29/52/72/997295272.db2.gz IHUAJQZUEVYDHM-UHFFFAOYSA-N 0 2 413.933 3.589 20 0 HHADLN Cc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c(C)c1 ZINC000485016376 997381005 /nfs/dbraw/zinc/38/10/05/997381005.db2.gz WAXYMMINVQIRAP-UHFFFAOYSA-N 0 2 416.528 3.882 20 0 HHADLN Cc1ccc(-c2nsc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)n2)s1 ZINC000476874989 997452265 /nfs/dbraw/zinc/45/22/65/997452265.db2.gz SGBPNYLVGCVFDO-UHFFFAOYSA-N 0 2 421.447 3.696 20 0 HHADLN O=S(=O)(Nc1ccc(-c2cc[nH]n2)cc1)c1cc(Br)c(F)cc1F ZINC000485082923 997454922 /nfs/dbraw/zinc/45/49/22/997454922.db2.gz ZVQNXRFPLGLJPJ-UHFFFAOYSA-N 0 2 414.231 3.918 20 0 HHADLN Cc1c(Br)cccc1S(=O)(=O)Nc1ccnn1Cc1ccccc1 ZINC000476920610 997531128 /nfs/dbraw/zinc/53/11/28/997531128.db2.gz WDFLPBWYYYDNES-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000485202500 997578574 /nfs/dbraw/zinc/57/85/74/997578574.db2.gz JRAFPTJMSRPYNR-UHFFFAOYSA-N 0 2 424.507 3.987 20 0 HHADLN C[C@@H](CCc1ccco1)NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485361751 997786514 /nfs/dbraw/zinc/78/65/14/997786514.db2.gz BMBPJPURDNHRQD-ZDUSSCGKSA-N 0 2 420.516 3.680 20 0 HHADLN CN(CC1CCCCC1)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485366072 997791352 /nfs/dbraw/zinc/79/13/52/997791352.db2.gz DWSVKMOHYOWKLC-UHFFFAOYSA-N 0 2 408.549 3.988 20 0 HHADLN C[C@H]1CCCC[C@@H]1CNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485370124 997794973 /nfs/dbraw/zinc/79/49/73/997794973.db2.gz AOVZXOIJWXOCAR-UONOGXRCSA-N 0 2 408.549 3.892 20 0 HHADLN CC(C)C1CCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC1 ZINC000485381384 997808791 /nfs/dbraw/zinc/80/87/91/997808791.db2.gz JQJHXNWAMWWGDH-UHFFFAOYSA-N 0 2 408.549 3.844 20 0 HHADLN Cc1cccc(CN(C)C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000485386412 997813664 /nfs/dbraw/zinc/81/36/64/997813664.db2.gz SGBIOMDFKFOCTK-UHFFFAOYSA-N 0 2 416.528 3.916 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)C[C@H]1CCC(=O)[C@@H]1C ZINC000477155282 997815177 /nfs/dbraw/zinc/81/51/77/997815177.db2.gz CRPPZUQOIIYLPQ-HUUCEWRRSA-N 0 2 418.490 3.879 20 0 HHADLN CSc1cc2c(cc1NS(=O)(=O)c1c(C)ccc3cccnc31)OCCO2 ZINC000477242315 997915860 /nfs/dbraw/zinc/91/58/60/997915860.db2.gz HTJVSSIALOVKHU-UHFFFAOYSA-N 0 2 402.497 3.837 20 0 HHADLN O=C(CCc1cccc(F)c1F)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485487379 997939777 /nfs/dbraw/zinc/93/97/77/997939777.db2.gz CTVLJPZOKCZEMO-UHFFFAOYSA-N 0 2 423.466 3.793 20 0 HHADLN O=C(COc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485493682 997947682 /nfs/dbraw/zinc/94/76/82/997947682.db2.gz PGLCBOSKNFZEBJ-UHFFFAOYSA-N 0 2 423.903 3.615 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1cccc2ccccc21)c1ccc2c(c1)OCO2 ZINC000477293153 997978048 /nfs/dbraw/zinc/97/80/48/997978048.db2.gz UZAMARRTJURCFE-UHFFFAOYSA-N 0 2 407.451 3.614 20 0 HHADLN Cn1ccc(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)c1 ZINC000477344063 998032237 /nfs/dbraw/zinc/03/22/37/998032237.db2.gz YXXSLASIYKJZJZ-UHFFFAOYSA-N 0 2 407.854 3.871 20 0 HHADLN CCc1cc(Br)ccc1NS(=O)(=O)c1c(C)oc(C)c1C(=O)OC ZINC000477420905 998108605 /nfs/dbraw/zinc/10/86/05/998108605.db2.gz DGTATADLKJWDIO-UHFFFAOYSA-N 0 2 416.293 3.809 20 0 HHADLN O=C(N[C@@H](C(=O)Nc1ccccc1)c1ccccc1)C1=NN(c2ccccc2)CC1=O ZINC000485712331 998179290 /nfs/dbraw/zinc/17/92/90/998179290.db2.gz RVIQZKUMTZWBGI-OAQYLSRUSA-N 0 2 412.449 3.688 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1cc(F)ccc1F ZINC000486532480 998811449 /nfs/dbraw/zinc/81/14/49/998811449.db2.gz UNUGVEPXVYYFDL-UHFFFAOYSA-N 0 2 405.213 3.653 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)cc1F ZINC000486547461 998819315 /nfs/dbraw/zinc/81/93/15/998819315.db2.gz JOSTZDJSALTRRO-UHFFFAOYSA-N 0 2 417.249 3.523 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)n(-c2cc(C)ccn2)n1 ZINC000486562025 998826905 /nfs/dbraw/zinc/82/69/05/998826905.db2.gz OZFMKVHTMWBKGI-ZDUSSCGKSA-N 0 2 418.906 3.662 20 0 HHADLN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)S(=O)(=O)Cc2ccc(C3CCC3)cc2)c1C ZINC000486567336 998830829 /nfs/dbraw/zinc/83/08/29/998830829.db2.gz QQABJVZVGPMHTG-OAHLLOKOSA-N 0 2 417.527 3.872 20 0 HHADLN COCCc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)cc1 ZINC000486571062 998833540 /nfs/dbraw/zinc/83/35/40/998833540.db2.gz BTLKNMMVFJDQLV-UHFFFAOYSA-N 0 2 411.936 3.792 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1-c1nncn1C(C)C ZINC000486574130 998835550 /nfs/dbraw/zinc/83/55/50/998835550.db2.gz VCHDVKCDLWLVOR-UHFFFAOYSA-N 0 2 406.895 3.989 20 0 HHADLN COC(=O)CCc1csc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)n1 ZINC000486587707 998843151 /nfs/dbraw/zinc/84/31/51/998843151.db2.gz UFEQSLSJWCNSPS-UHFFFAOYSA-N 0 2 416.933 3.918 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc3c(ccc(F)c3F)s2)c1 ZINC000486722612 998908665 /nfs/dbraw/zinc/90/86/65/998908665.db2.gz KXEHGIFYOYRYRD-UHFFFAOYSA-N 0 2 416.402 3.691 20 0 HHADLN O=C(N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)[C@@H]1CCn2cncc2C1 ZINC000486781220 998937686 /nfs/dbraw/zinc/93/76/86/998937686.db2.gz SXXKIWYYLQEFKH-MRXNPFEDSA-N 0 2 417.494 3.817 20 0 HHADLN O=C(Nc1ccccc1)C1CCN(C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)CC1 ZINC000478450571 998966409 /nfs/dbraw/zinc/96/64/09/998966409.db2.gz OLAVFZOLHJBXSE-UHFFFAOYSA-N 0 2 424.888 3.722 20 0 HHADLN NC(=O)Nc1cc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)ccc1F ZINC000478454449 998968446 /nfs/dbraw/zinc/96/84/46/998968446.db2.gz YJGSHKVXBPQTMY-UHFFFAOYSA-N 0 2 418.226 3.721 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cnc(Cc2ccccc2F)s1 ZINC000478602130 999042067 /nfs/dbraw/zinc/04/20/67/999042067.db2.gz NWSMZPQFOBLQQK-UHFFFAOYSA-N 0 2 423.473 3.500 20 0 HHADLN CC[C@@H](C)c1nnc([C@H](C)NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)[nH]1 ZINC000487213815 999099235 /nfs/dbraw/zinc/09/92/35/999099235.db2.gz COQJBIUIBGKLSU-ZJUUUORDSA-N 0 2 405.915 3.795 20 0 HHADLN O=S1(=O)c2cccc3cccc(c23)N1CCSc1n[nH]c(Cc2ccccc2)n1 ZINC000478761663 999127563 /nfs/dbraw/zinc/12/75/63/999127563.db2.gz NPGYPKXNLVNLQI-UHFFFAOYSA-N 0 2 422.535 3.850 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1 ZINC000479068358 999278663 /nfs/dbraw/zinc/27/86/63/999278663.db2.gz ZAEQBEKHGZQKKK-UHFFFAOYSA-N 0 2 422.503 3.999 20 0 HHADLN CC(C)n1cc(S(=O)(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cn1 ZINC000479165136 999305085 /nfs/dbraw/zinc/30/50/85/999305085.db2.gz WDANOKUSMKTZQL-UHFFFAOYSA-N 0 2 401.876 3.576 20 0 HHADLN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1nccc(-c2ccccc2)n1 ZINC000479165899 999305343 /nfs/dbraw/zinc/30/53/43/999305343.db2.gz UHEHPXJIWOEIIF-UHFFFAOYSA-N 0 2 424.526 3.817 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2C)cc1Cl ZINC000479245101 999343895 /nfs/dbraw/zinc/34/38/95/999343895.db2.gz CJMDOVVDQQUDKA-UHFFFAOYSA-N 0 2 404.879 3.593 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nn2Cc2ccccc2)cc1Cl ZINC000479247773 999345539 /nfs/dbraw/zinc/34/55/39/999345539.db2.gz GIERXDPOWXIPDI-UHFFFAOYSA-N 0 2 418.906 3.652 20 0 HHADLN NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)cc1F ZINC000488300088 999429435 /nfs/dbraw/zinc/42/94/35/999429435.db2.gz OHHMSGMUJJJRMA-UHFFFAOYSA-N 0 2 412.870 3.558 20 0 HHADLN O=C(c1ccccc1)c1ccccc1S(=O)(=O)Nc1ccccc1N1CCCC1=O ZINC000479479763 999435357 /nfs/dbraw/zinc/43/53/57/999435357.db2.gz BILZRIBJKHWZQD-UHFFFAOYSA-N 0 2 420.490 3.845 20 0 HHADLN O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1cnn(CC(F)(F)F)c1 ZINC000479482668 999437284 /nfs/dbraw/zinc/43/72/84/999437284.db2.gz KIUIMFXQFGVOPC-UHFFFAOYSA-N 0 2 405.732 3.501 20 0 HHADLN Cc1cccc(F)c1S(=O)(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 ZINC000479489053 999440369 /nfs/dbraw/zinc/44/03/69/999440369.db2.gz OEOKACDKAGUPGE-UHFFFAOYSA-N 0 2 419.499 3.909 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)cc1OC ZINC000479550524 999472795 /nfs/dbraw/zinc/47/27/95/999472795.db2.gz JDNHJFUARKRXAF-UHFFFAOYSA-N 0 2 407.879 3.652 20 0 HHADLN CN1Cc2cc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)ccc2NC1=O ZINC000479551336 999473207 /nfs/dbraw/zinc/47/32/07/999473207.db2.gz FCLBRIGJMXYFOK-UHFFFAOYSA-N 0 2 403.357 3.623 20 0 HHADLN COc1cc(C)c(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)cc1F ZINC000479550747 999473228 /nfs/dbraw/zinc/47/32/28/999473228.db2.gz CKMYZAAVOSQYBO-UHFFFAOYSA-N 0 2 404.822 3.694 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cncc(Cl)c1 ZINC000488426612 999484145 /nfs/dbraw/zinc/48/41/45/999484145.db2.gz WNZOLYZQRBIRAO-UHFFFAOYSA-N 0 2 401.300 3.632 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c(F)c1 ZINC000479602569 999496546 /nfs/dbraw/zinc/49/65/46/999496546.db2.gz GWOJVSCZBNPYAV-UHFFFAOYSA-N 0 2 401.463 3.835 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)c(OC)c1 ZINC000488646453 999556627 /nfs/dbraw/zinc/55/66/27/999556627.db2.gz ORPZVACJQBCYFT-UHFFFAOYSA-N 0 2 420.512 3.561 20 0 HHADLN CCCN(CC)C(=O)c1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1 ZINC000479764398 999579567 /nfs/dbraw/zinc/57/95/67/999579567.db2.gz GPXLNFLRFMQSJX-UHFFFAOYSA-N 0 2 413.428 3.874 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCOc2ccc(F)cc2C1 ZINC000488747001 999595792 /nfs/dbraw/zinc/59/57/92/999595792.db2.gz DYTOVGCAXYJKOM-UHFFFAOYSA-N 0 2 404.854 3.846 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCC(CO)(c4ccccc4)CC3)=N2)c1 ZINC000479892655 999638798 /nfs/dbraw/zinc/63/87/98/999638798.db2.gz OBDSFCALTYHEMA-UHFFFAOYSA-N 0 2 419.525 3.868 20 0 HHADLN COCCc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000479997209 999680218 /nfs/dbraw/zinc/68/02/18/999680218.db2.gz WDFKIGLLTQHKET-UHFFFAOYSA-N 0 2 409.920 3.848 20 0 HHADLN COC[C@@H](C)n1ccc(NS(=O)(=O)c2ccc(Oc3ccc(OC)cc3)cc2)n1 ZINC000489046794 999681757 /nfs/dbraw/zinc/68/17/57/999681757.db2.gz RPAASJAPAWFTIL-OAHLLOKOSA-N 0 2 417.487 3.692 20 0 HHADLN O=S(=O)(Nc1noc(COc2ccc(F)cc2)n1)c1cc(Cl)cc(Cl)c1 ZINC000480168016 999735535 /nfs/dbraw/zinc/73/55/35/999735535.db2.gz ZELVDPQNCZVSOP-UHFFFAOYSA-N 0 2 418.233 3.895 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000480176256 999737160 /nfs/dbraw/zinc/73/71/60/999737160.db2.gz GICNUSLXJSNWMW-XJKSGUPXSA-N 0 2 418.881 3.759 20 0 HHADLN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2OCC2CC2)cc1 ZINC000480216398 999747829 /nfs/dbraw/zinc/74/78/29/999747829.db2.gz VNIKLYCYGOOUFM-UHFFFAOYSA-N 0 2 420.506 3.897 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)OCCO3)cnn1-c1ccccc1Cl ZINC000480218468 999748216 /nfs/dbraw/zinc/74/82/16/999748216.db2.gz CUPPIWYHLYQZEO-UHFFFAOYSA-N 0 2 419.890 3.660 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc(Cl)c1F ZINC000480222981 999749405 /nfs/dbraw/zinc/74/94/05/999749405.db2.gz IJLRTGSJNKTNFA-UHFFFAOYSA-N 0 2 421.837 3.524 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)c(F)c1 ZINC000480237907 999753309 /nfs/dbraw/zinc/75/33/09/999753309.db2.gz BVWNGSNJAWKEHH-UHFFFAOYSA-N 0 2 406.479 3.616 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1C(C)C ZINC000480242283 999754380 /nfs/dbraw/zinc/75/43/80/999754380.db2.gz AUKXFAUZQWCOLJ-HNNXBMFYSA-N 0 2 418.563 3.905 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cnn1-c1cccc(C)c1 ZINC000480248958 999755965 /nfs/dbraw/zinc/75/59/65/999755965.db2.gz OXWJUQLXDHJZKF-UHFFFAOYSA-N 0 2 424.526 3.819 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccc(C2CCC2)cc1 ZINC000480582954 999832454 /nfs/dbraw/zinc/83/24/54/999832454.db2.gz PUQDWYDSJXYIJB-UHFFFAOYSA-N 0 2 414.512 3.859 20 0 HHADLN Cc1ccc([C@@H]2C[C@@H](C)[N@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000490046376 999884370 /nfs/dbraw/zinc/88/43/70/999884370.db2.gz VPAGYRFYXXQAJX-NFBKMPQASA-N 0 2 407.558 3.644 20 0 HHADLN Cc1cc(Cl)ccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000490091138 999891848 /nfs/dbraw/zinc/89/18/48/999891848.db2.gz VNRDFXLMKWHSDE-UHFFFAOYSA-N 0 2 408.892 3.553 20 0 HHADLN CC1(C)CCC[C@@H](CC(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)C1 ZINC000490092149 999892149 /nfs/dbraw/zinc/89/21/49/999892149.db2.gz YVNDNIUBFVKQGX-ZDUSSCGKSA-N 0 2 408.549 3.884 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000490267533 999925933 /nfs/dbraw/zinc/92/59/33/999925933.db2.gz DYLZZKXGCWEICU-CQSZACIVSA-N 0 2 417.922 3.975 20 0 HHADLN Cc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC000492050690 1000106836 /nfs/dbraw/zinc/10/68/36/1000106836.db2.gz ZPVTWWMNCDUTOL-UHFFFAOYSA-N 0 2 405.911 3.722 20 0 HHADLN O=C(N=c1ccc(-c2ccccc2)n[nH]1)N1CCC2(CC1)OCCc1ccsc12 ZINC000493902309 1000205389 /nfs/dbraw/zinc/20/53/89/1000205389.db2.gz CFQQISQWFCNMEW-UHFFFAOYSA-N 0 2 406.511 3.723 20 0 HHADLN CCCc1csc(NS(=O)(=O)c2cnn(-c3cc(Cl)ccc3OC)c2)n1 ZINC000504502767 1000237706 /nfs/dbraw/zinc/23/77/06/1000237706.db2.gz MPGZFANFVRTOEN-UHFFFAOYSA-N 0 2 412.924 3.744 20 0 HHADLN CCCc1csc(NS(=O)(=O)c2cc(OC)c(OC)cc2Br)n1 ZINC000504545453 1000262412 /nfs/dbraw/zinc/26/24/12/1000262412.db2.gz ARCHKUUKYLNHBG-UHFFFAOYSA-N 0 2 421.338 3.676 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N[C@H]1CC2CCC1CC2 ZINC000494135280 1000324393 /nfs/dbraw/zinc/32/43/93/1000324393.db2.gz HDJTXQZIDXSZEN-ZUEPYMLJSA-N 0 2 406.533 3.644 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2S(C)(=O)=O)c(Cl)cc1F ZINC000494332802 1000437430 /nfs/dbraw/zinc/43/74/30/1000437430.db2.gz MNNWPOJWVWBXPI-UHFFFAOYSA-N 0 2 412.291 3.645 20 0 HHADLN CCCCc1cc(NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)n[nH]1 ZINC000494761676 1000639867 /nfs/dbraw/zinc/63/98/67/1000639867.db2.gz DKTHVEWOKMPJGF-UHFFFAOYSA-N 0 2 420.520 3.654 20 0 HHADLN Cn1cc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c(C(F)(F)F)n1 ZINC000496504672 1001187544 /nfs/dbraw/zinc/18/75/44/1001187544.db2.gz ZHRNZVKZDDZKDH-UHFFFAOYSA-N 0 2 414.185 3.844 20 0 HHADLN CCC[C@@H](NC(=O)CSc1nc(=O)cc(O)n1C1CCCC1)c1ccccc1 ZINC000497437391 1001364315 /nfs/dbraw/zinc/36/43/15/1001364315.db2.gz JLVKRDVRPCOQNJ-QGZVFWFLSA-N 0 2 401.532 3.814 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(OC)c(OC)c1 ZINC000506582882 1001464070 /nfs/dbraw/zinc/46/40/70/1001464070.db2.gz DNCBGQMNFBLOIC-UHFFFAOYSA-N 0 2 420.270 3.598 20 0 HHADLN Cc1cnn(C)c1S(=O)(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 ZINC000506614110 1001471639 /nfs/dbraw/zinc/47/16/39/1001471639.db2.gz UJHCMUSZDVLMML-UHFFFAOYSA-N 0 2 412.393 3.735 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC000506689387 1001494887 /nfs/dbraw/zinc/49/48/87/1001494887.db2.gz KHCZKTRHUPPIKV-UHFFFAOYSA-N 0 2 418.446 3.969 20 0 HHADLN CC(C)(C)c1nnc(NS(=O)(=O)c2cc(F)c(Br)cc2F)s1 ZINC000497722315 1001495717 /nfs/dbraw/zinc/49/57/17/1001495717.db2.gz LXHFIGQRTXWPLQ-UHFFFAOYSA-N 0 2 412.281 3.677 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)c1 ZINC000506720252 1001504519 /nfs/dbraw/zinc/50/45/19/1001504519.db2.gz RYXGCZSSHDXYAW-UHFFFAOYSA-N 0 2 416.503 3.551 20 0 HHADLN O=S(=O)(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1csc2ccccc21 ZINC000506805133 1001539457 /nfs/dbraw/zinc/53/94/57/1001539457.db2.gz KHQBYSORRWIPPP-UHFFFAOYSA-N 0 2 404.904 3.995 20 0 HHADLN Cc1cnn(C)c1S(=O)(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 ZINC000506806299 1001540337 /nfs/dbraw/zinc/54/03/37/1001540337.db2.gz OCALDLRZDJPMJD-UHFFFAOYSA-N 0 2 400.485 3.931 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccccc1N(C)C ZINC000506817698 1001547187 /nfs/dbraw/zinc/54/71/87/1001547187.db2.gz BSOHCVDCHUCBCL-UHFFFAOYSA-N 0 2 403.287 3.647 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc3c(s2)C[C@@H](CC)CC3)c1 ZINC000506821530 1001549276 /nfs/dbraw/zinc/54/92/76/1001549276.db2.gz MRWLHHWSBCKQNO-LBPRGKRZSA-N 0 2 424.544 3.644 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ncc(Cc3ccccc3F)s2)c1 ZINC000506848619 1001563505 /nfs/dbraw/zinc/56/35/05/1001563505.db2.gz KFZLHRCHZIWSFM-UHFFFAOYSA-N 0 2 422.503 3.829 20 0 HHADLN CCOc1ccc2nc(NS(=O)(=O)c3cc(COC)ccc3OC)sc2c1 ZINC000506850692 1001564661 /nfs/dbraw/zinc/56/46/61/1001564661.db2.gz ZYVXHAJFGTWGJJ-UHFFFAOYSA-N 0 2 408.501 3.651 20 0 HHADLN CCOC(=O)C(=C(O)CSc1nc(-c2ccc(C)cc2)n[nH]1)c1nc(C)cs1 ZINC000498070730 1001629713 /nfs/dbraw/zinc/62/97/13/1001629713.db2.gz IVQFAEATFAHKMM-HNNXBMFYSA-N 0 2 416.528 3.553 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3C[C@@H](C)O[C@H](c4ccccc4)C3)s[nH]2)c1 ZINC000498223146 1001707022 /nfs/dbraw/zinc/70/70/22/1001707022.db2.gz FEVPUBSOBFBCBW-KDOFPFPSSA-N 0 2 410.499 3.630 20 0 HHADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1cc(C)cc2cccnc21 ZINC000507003859 1001759282 /nfs/dbraw/zinc/75/92/82/1001759282.db2.gz ZNPJZWHMNVBYSI-UHFFFAOYSA-N 0 2 411.483 3.701 20 0 HHADLN CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000498377818 1001808143 /nfs/dbraw/zinc/80/81/43/1001808143.db2.gz OCCOHAGCUCGEOS-AWEZNQCLSA-N 0 2 406.939 3.646 20 0 HHADLN CCc1nc(C(=O)Nc2nc(-c3ccccc3OC)n[nH]2)nn1-c1ccccc1Cl ZINC000498416404 1001845948 /nfs/dbraw/zinc/84/59/48/1001845948.db2.gz ZVTILGKNMIMHPN-UHFFFAOYSA-N 0 2 423.864 3.529 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(S(C)(=O)=O)c(C)c2)c1Cl ZINC000498487717 1001914135 /nfs/dbraw/zinc/91/41/35/1001914135.db2.gz NDURJBPSJMPHFG-UHFFFAOYSA-N 0 2 408.328 3.815 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1Oc1ccc(C)nn1 ZINC000498503238 1001926242 /nfs/dbraw/zinc/92/62/42/1001926242.db2.gz CSSMZZPWZLVHNJ-UHFFFAOYSA-N 0 2 407.398 3.665 20 0 HHADLN COC(=O)c1csc(S(=O)(=O)Nc2nc3c(ccc4c3CCCC4)s2)c1 ZINC000507307754 1001988010 /nfs/dbraw/zinc/98/80/10/1001988010.db2.gz ZHKMCKOCXYWZJN-UHFFFAOYSA-N 0 2 408.526 3.824 20 0 HHADLN O=C(Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1ccc2c(c1)CCC=C2 ZINC000507483504 1002098770 /nfs/dbraw/zinc/09/87/70/1002098770.db2.gz HLSOEBUOKXJSCS-UHFFFAOYSA-N 0 2 412.496 3.551 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc3cc(Br)cnc32)cc1 ZINC000507630557 1002233719 /nfs/dbraw/zinc/23/37/19/1002233719.db2.gz QTMYXSGNXJFLOP-UHFFFAOYSA-N 0 2 421.272 3.585 20 0 HHADLN O=C(C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000498905486 1002298854 /nfs/dbraw/zinc/29/88/54/1002298854.db2.gz PMDWQQAZKWKAIT-FQEVSTJZSA-N 0 2 419.529 3.684 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1nc[nH]n1)c1cc(Cl)ccc1C(F)(F)F ZINC000507905715 1002440459 /nfs/dbraw/zinc/44/04/59/1002440459.db2.gz YJJBMCUDCNBLQT-UHFFFAOYSA-N 0 2 402.785 3.945 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)ccc1C ZINC000507966482 1002498493 /nfs/dbraw/zinc/49/84/93/1002498493.db2.gz FFLCYIVERPHDSN-UHFFFAOYSA-N 0 2 415.462 3.763 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3csc(-c4ccccn4)n3)cc2F)c1 ZINC000508067051 1002588760 /nfs/dbraw/zinc/58/87/60/1002588760.db2.gz HDDORABUWKRDNK-UHFFFAOYSA-N 0 2 415.475 3.639 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc2c(s1)c(Cl)ccc2C ZINC000508082943 1002604139 /nfs/dbraw/zinc/60/41/39/1002604139.db2.gz IZJOYLJVEYCHTA-UHFFFAOYSA-N 0 2 414.867 3.985 20 0 HHADLN COc1cc(S(=O)(=O)Nc2nc3c(s2)CSCC3)ccc1Br ZINC000508101321 1002625834 /nfs/dbraw/zinc/62/58/34/1002625834.db2.gz ZSTIQMMBDRHKGS-UHFFFAOYSA-N 0 2 421.363 3.504 20 0 HHADLN Cc1c(Br)cccc1S(=O)(=O)Nc1nc2c(s1)CSCC2 ZINC000508109596 1002635311 /nfs/dbraw/zinc/63/53/11/1002635311.db2.gz ABQOEMSUJQXNID-UHFFFAOYSA-N 0 2 405.364 3.804 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)o2)cc1 ZINC000508112332 1002639970 /nfs/dbraw/zinc/63/99/70/1002639970.db2.gz ZNMGZXYRQVGVMB-UHFFFAOYSA-N 0 2 408.277 3.862 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)o2)c(C)c1 ZINC000508131557 1002663171 /nfs/dbraw/zinc/66/31/71/1002663171.db2.gz LGTPGDDVIKJRLH-UHFFFAOYSA-N 0 2 408.277 3.917 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc(-c3ncco3)cc2)cc1Cl ZINC000499274137 1002680792 /nfs/dbraw/zinc/68/07/92/1002680792.db2.gz PVVDFNLNPBNWKN-UHFFFAOYSA-N 0 2 409.826 3.893 20 0 HHADLN Cc1n[nH]cc1S(=O)(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000499273897 1002681115 /nfs/dbraw/zinc/68/11/15/1002681115.db2.gz MTFIMOLUJGKOFF-UHFFFAOYSA-N 0 2 416.356 3.864 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc(CCC(F)(F)F)cc3)cnc2c1Cl ZINC000499281704 1002692110 /nfs/dbraw/zinc/69/21/10/1002692110.db2.gz CSPDRGMBWKGQII-UHFFFAOYSA-N 0 2 418.828 3.987 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc(OC4CCCC4)c(F)c3)cnc2c1Cl ZINC000499283178 1002693813 /nfs/dbraw/zinc/69/38/13/1002693813.db2.gz XNPHRDHVBWSCOI-UHFFFAOYSA-N 0 2 424.885 3.952 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)cnn1C ZINC000499293508 1002704639 /nfs/dbraw/zinc/70/46/39/1002704639.db2.gz YYWIKLRACNYDLN-UHFFFAOYSA-N 0 2 406.305 3.959 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cccc(CC(F)(F)F)c3)cnc2c1Cl ZINC000499301610 1002710956 /nfs/dbraw/zinc/71/09/56/1002710956.db2.gz QDONHXLJFAWFMO-UHFFFAOYSA-N 0 2 404.801 3.597 20 0 HHADLN O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccoc1 ZINC000508189553 1002725411 /nfs/dbraw/zinc/72/54/11/1002725411.db2.gz GGSREQLPLLDJMX-UHFFFAOYSA-N 0 2 412.876 3.535 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)cc2)o1)c1cc(F)ccc1Br ZINC000508242450 1002767158 /nfs/dbraw/zinc/76/71/58/1002767158.db2.gz XQHMKAMQYKWQSO-UHFFFAOYSA-N 0 2 416.203 3.578 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)ncn2)ccc1F ZINC000508248938 1002771468 /nfs/dbraw/zinc/77/14/68/1002771468.db2.gz QDLPOTMQVPBLAB-UHFFFAOYSA-N 0 2 420.853 3.695 20 0 HHADLN COc1ccc(OCCS(=O)(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)cc1 ZINC000499504420 1002894137 /nfs/dbraw/zinc/89/41/37/1002894137.db2.gz REQMIPXTAOCQKS-UHFFFAOYSA-N 0 2 421.906 3.663 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)=N2)cc1 ZINC000499558230 1002939293 /nfs/dbraw/zinc/93/92/93/1002939293.db2.gz LQTIDMLIZPLDCI-LJQANCHMSA-N 0 2 405.458 3.590 20 0 HHADLN CCCN(C(=O)C1=NN(c2ccc(OC)cc2)CC1=O)[C@H]1CCc2ccccc2C1 ZINC000499631364 1002998232 /nfs/dbraw/zinc/99/82/32/1002998232.db2.gz NIBHZUHFFZSWRL-FQEVSTJZSA-N 0 2 405.498 3.996 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1nnc(Cc2cccc3ccccc32)n1C ZINC000508603275 1003059004 /nfs/dbraw/zinc/05/90/04/1003059004.db2.gz RPNDVAQEMDHJIK-UHFFFAOYSA-N 0 2 416.510 3.906 20 0 HHADLN COc1ccc([C@H]2CCCN2C(=O)C2=NN(c3ccc(F)cc3)CC2=O)c(OC)c1 ZINC000499724813 1003072063 /nfs/dbraw/zinc/07/20/63/1003072063.db2.gz UFYQMOUQSKOCJH-GOSISDBHSA-N 0 2 411.433 3.712 20 0 HHADLN C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C[C@H](C)O1 ZINC000499742011 1003087773 /nfs/dbraw/zinc/08/77/73/1003087773.db2.gz PGBIVWMZHIUSOH-HOTGVXAUSA-N 0 2 424.476 3.579 20 0 HHADLN CCc1nc2c(s1)[C@@H](N(C)C(=O)C1=NN(c3ccc(F)cc3)CC1=O)CCC2 ZINC000499878974 1003215114 /nfs/dbraw/zinc/21/51/14/1003215114.db2.gz ZLVXIZVGWUADMA-HNNXBMFYSA-N 0 2 400.479 3.886 20 0 HHADLN CCCN(C(=O)C1=NN(c2ccc(F)cc2)CC1=O)[C@H](C)C(=O)Nc1ccccc1 ZINC000499887879 1003222883 /nfs/dbraw/zinc/22/28/83/1003222883.db2.gz COVCNEJNYLOMQU-OAHLLOKOSA-N 0 2 410.449 3.596 20 0 HHADLN COCCSc1ccc([C@@H](C)NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)cc1 ZINC000499954203 1003274914 /nfs/dbraw/zinc/27/49/14/1003274914.db2.gz DEKRZCCXBCJJKO-CQSZACIVSA-N 0 2 415.490 3.947 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC(Cc4ccccc4F)CC3)=N2)cc1 ZINC000500020972 1003347770 /nfs/dbraw/zinc/34/77/70/1003347770.db2.gz UAAVZWCKODZJJA-UHFFFAOYSA-N 0 2 409.461 3.821 20 0 HHADLN CO[C@H](C)CS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000509065772 1003527851 /nfs/dbraw/zinc/52/78/51/1003527851.db2.gz MBMPRHLGSKPXBO-GFCCVEGCSA-N 0 2 416.421 3.734 20 0 HHADLN CNC(=O)Nc1cccc(NS(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000509098823 1003551167 /nfs/dbraw/zinc/55/11/67/1003551167.db2.gz LYEBYOYZGMPNCB-UHFFFAOYSA-N 0 2 418.700 3.655 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(OC)nc3)c2)s1 ZINC000500287843 1003601103 /nfs/dbraw/zinc/60/11/03/1003601103.db2.gz GJICCMVXAUTSDN-UHFFFAOYSA-N 0 2 417.512 3.767 20 0 HHADLN CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000500298987 1003607132 /nfs/dbraw/zinc/60/71/32/1003607132.db2.gz SMOYAHBJIPDLML-UHFFFAOYSA-N 0 2 415.284 3.984 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N(Cc1ccco1)Cc1ccc(O)cc1 ZINC000500306727 1003612746 /nfs/dbraw/zinc/61/27/46/1003612746.db2.gz RUDIJRPWODPVSD-UHFFFAOYSA-N 0 2 407.401 3.858 20 0 HHADLN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000509203354 1003622138 /nfs/dbraw/zinc/62/21/38/1003622138.db2.gz PUZBQRCVFFMDDT-UHFFFAOYSA-N 0 2 405.345 3.771 20 0 HHADLN Cc1cc(C2CC2)nc(NS(=O)(=O)c2c(Cl)cccc2Br)n1 ZINC000509238556 1003645995 /nfs/dbraw/zinc/64/59/95/1003645995.db2.gz KBFPNIZEEVUFLC-UHFFFAOYSA-N 0 2 402.701 3.879 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2Cl)o1)c1cnc2ccccc2c1 ZINC000509239292 1003646883 /nfs/dbraw/zinc/64/68/83/1003646883.db2.gz JIOYEPXHWBNMOU-UHFFFAOYSA-N 0 2 400.847 3.663 20 0 HHADLN NC(=O)CSc1ccccc1NS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000509255692 1003658082 /nfs/dbraw/zinc/65/80/82/1003658082.db2.gz OUWNIORMCKJMLX-UHFFFAOYSA-N 0 2 409.291 3.511 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C)sc1C1CC1 ZINC000509255708 1003658213 /nfs/dbraw/zinc/65/82/13/1003658213.db2.gz PAUIAMAXXZTOLC-UHFFFAOYSA-N 0 2 420.434 3.935 20 0 HHADLN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1nnc(Cc2cccc(F)c2)o1 ZINC000509266231 1003665294 /nfs/dbraw/zinc/66/52/94/1003665294.db2.gz XONQFIMCNDYDGV-UHFFFAOYSA-N 0 2 415.368 3.928 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2Br)s1 ZINC000500458040 1003728835 /nfs/dbraw/zinc/72/88/35/1003728835.db2.gz BTLYSTMCFYOTOQ-UHFFFAOYSA-N 0 2 410.698 3.751 20 0 HHADLN CO[C@@H]1CCC[C@H](Oc2ccnc(NS(=O)(=O)c3ccc(C)cc3Cl)n2)C1 ZINC000500566125 1003786870 /nfs/dbraw/zinc/78/68/70/1003786870.db2.gz BVDPOVHYTUISKL-KGLIPLIRSA-N 0 2 411.911 3.576 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)cc1F ZINC000509377646 1003806707 /nfs/dbraw/zinc/80/67/07/1003806707.db2.gz GZEKKPNZBBXGIB-UHFFFAOYSA-N 0 2 420.840 3.703 20 0 HHADLN COC(=O)c1c(F)cc(NS(=O)(=O)c2cccc(C)c2Br)cc1F ZINC000509387163 1003815679 /nfs/dbraw/zinc/81/56/79/1003815679.db2.gz MVBLUOOXTAVLIY-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(Cc3ccccn3)ccc2C)cnn1-c1ccccn1 ZINC000509386935 1003815767 /nfs/dbraw/zinc/81/57/67/1003815767.db2.gz SLTUSQXKKQTTKS-UHFFFAOYSA-N 0 2 419.510 3.671 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCS[C@@H](C)[C@H]3c3ccccc3)=N2)cc1 ZINC000500607506 1003823952 /nfs/dbraw/zinc/82/39/52/1003823952.db2.gz MDKPIJSPXNNHBY-BTYIYWSLSA-N 0 2 409.511 3.905 20 0 HHADLN COC(=O)[C@H](NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1cccs1 ZINC000509423626 1003850722 /nfs/dbraw/zinc/85/07/22/1003850722.db2.gz ZAODJIAKNXHGGP-GFCCVEGCSA-N 0 2 413.826 3.613 20 0 HHADLN COc1ccc(C[C@@H]2CCCN(C(=O)C3=NN(c4ccc(OC)cc4)CC3=O)C2)cc1 ZINC000500641835 1003856137 /nfs/dbraw/zinc/85/61/37/1003856137.db2.gz PRBPNRLBSDRSBU-SFHVURJKSA-N 0 2 421.497 3.690 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC(Oc4ccc(C)cc4)CC3)=N2)cc1 ZINC000500662966 1003875612 /nfs/dbraw/zinc/87/56/12/1003875612.db2.gz CBEDQECXRJQLFL-UHFFFAOYSA-N 0 2 407.470 3.579 20 0 HHADLN CCCN(CC)C(=O)c1ccc(C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)cc1 ZINC000511957862 1003920801 /nfs/dbraw/zinc/92/08/01/1003920801.db2.gz ZKRHWXPLFIGCMP-UHFFFAOYSA-N 0 2 424.526 3.760 20 0 HHADLN O=C(c1ccccc1)c1cccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000509610911 1003977556 /nfs/dbraw/zinc/97/75/56/1003977556.db2.gz MFSSLCFUFOJXFO-UHFFFAOYSA-N 0 2 403.463 3.904 20 0 HHADLN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2nc3ccsc3s2)c1 ZINC000500839015 1003993674 /nfs/dbraw/zinc/99/36/74/1003993674.db2.gz CJLBHWZZBHOPQW-UHFFFAOYSA-N 0 2 418.363 3.987 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)c(Cl)cc2OC)c(Cl)c1 ZINC000509637161 1003996867 /nfs/dbraw/zinc/99/68/67/1003996867.db2.gz QWEBVNDTAMZDJY-UHFFFAOYSA-N 0 2 404.271 3.898 20 0 HHADLN COc1ccc2c(c1)CN(C(=O)c1c[nH]c3c(cnn3C)c1=O)[C@@H](c1ccccc1)C2 ZINC000512170943 1004073731 /nfs/dbraw/zinc/07/37/31/1004073731.db2.gz NXSGKJWUKVSZGL-OAQYLSRUSA-N 0 2 414.465 3.622 20 0 HHADLN C[C@@H]1CCc2nc(NS(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4C)sc2C1 ZINC000512364024 1004248840 /nfs/dbraw/zinc/24/88/40/1004248840.db2.gz YMGWVODJWQTSAC-LLVKDONJSA-N 0 2 413.524 3.812 20 0 HHADLN CCCn1nc(C)c(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)c1C ZINC000512663797 1004474911 /nfs/dbraw/zinc/47/49/11/1004474911.db2.gz QKARDRCRWYCWOL-UHFFFAOYSA-N 0 2 405.549 3.779 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N3CCCN(c4cccc(Cl)c4C)CC3)c[nH]c2n1 ZINC000510520959 1004647212 /nfs/dbraw/zinc/64/72/12/1004647212.db2.gz FLEVTEVKNJYFCI-UHFFFAOYSA-N 0 2 410.905 3.958 20 0 HHADLN C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cncc(F)c2)cc1Cl ZINC000501799868 1004741847 /nfs/dbraw/zinc/74/18/47/1004741847.db2.gz SWMPFPUFEGMHFK-LBPRGKRZSA-N 0 2 411.886 3.690 20 0 HHADLN CCOC(=O)c1cc(-c2ccccc2)ccc1NS(=O)(=O)c1cncc(F)c1 ZINC000501819676 1004757560 /nfs/dbraw/zinc/75/75/60/1004757560.db2.gz HOYDLYMSCLHFFT-UHFFFAOYSA-N 0 2 400.431 3.865 20 0 HHADLN CC(C)(C)c1ccc(-c2nnc(SCc3n[nH]c(=O)[nH]3)n2Cc2ccco2)cc1 ZINC000513253390 1004880507 /nfs/dbraw/zinc/88/05/07/1004880507.db2.gz ZHUPWQFPZSBFST-UHFFFAOYSA-N 0 2 410.503 4.000 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000502167314 1004934696 /nfs/dbraw/zinc/93/46/96/1004934696.db2.gz MDOIAIBNTHFNLV-PWRODBHTSA-N 0 2 417.513 3.861 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N(C)CCc2nccs2)cc1 ZINC000510925984 1004936959 /nfs/dbraw/zinc/93/69/59/1004936959.db2.gz AGUKOTNKINUYQD-UHFFFAOYSA-N 0 2 421.569 3.629 20 0 HHADLN COC(=O)COc1ccc(NS(=O)(=O)c2cccc(C)c2F)c2ccccc12 ZINC000513426574 1004960878 /nfs/dbraw/zinc/96/08/78/1004960878.db2.gz JUSHKVBACAEWFW-UHFFFAOYSA-N 0 2 403.431 3.640 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1F ZINC000513451019 1004972458 /nfs/dbraw/zinc/97/24/58/1004972458.db2.gz FBDOGFVFTFWGRI-UHFFFAOYSA-N 0 2 400.479 3.920 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccccc2F)cc1NS(=O)(=O)c1ccccc1 ZINC000511131521 1005036131 /nfs/dbraw/zinc/03/61/31/1005036131.db2.gz RNFRLXCPHHOIMY-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1 ZINC000511145137 1005043972 /nfs/dbraw/zinc/04/39/72/1005043972.db2.gz MLXCWTOBJAZNKM-UHFFFAOYSA-N 0 2 422.812 3.528 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000511182094 1005062792 /nfs/dbraw/zinc/06/27/92/1005062792.db2.gz HUVUGKSMPKKZEB-UHFFFAOYSA-N 0 2 413.455 3.642 20 0 HHADLN O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2ccc3cccc(Cl)c3n2)c1 ZINC000502412271 1005064995 /nfs/dbraw/zinc/06/49/95/1005064995.db2.gz DOWQJFQEORCKKA-UHFFFAOYSA-N 0 2 401.875 3.581 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cccnc1Nc1ccccc1 ZINC000502450561 1005080126 /nfs/dbraw/zinc/08/01/26/1005080126.db2.gz PGNHFBYNGJNKLI-UHFFFAOYSA-N 0 2 412.471 3.593 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1cnc2ccccc2c1 ZINC000502493731 1005091166 /nfs/dbraw/zinc/09/11/66/1005091166.db2.gz LHAAIICHVXUEKB-UHFFFAOYSA-N 0 2 411.252 3.946 20 0 HHADLN Cc1ccccc1-n1nccc1NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000503980203 1005524915 /nfs/dbraw/zinc/52/49/15/1005524915.db2.gz FTOGFSBAEVIIJP-UHFFFAOYSA-N 0 2 411.405 3.923 20 0 HHADLN COc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)c(Br)c1 ZINC000531122078 1006005072 /nfs/dbraw/zinc/00/50/72/1006005072.db2.gz RULRRUFCOYAOGT-UHFFFAOYSA-N 0 2 409.190 3.773 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)c(Cl)c1 ZINC000534059162 1006030958 /nfs/dbraw/zinc/03/09/58/1006030958.db2.gz WBRHVMVXLIWKQU-UHFFFAOYSA-N 0 2 421.853 3.718 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(F)ccc3C)cc2)nc(C)n1 ZINC000514759854 1006112344 /nfs/dbraw/zinc/11/23/44/1006112344.db2.gz JQMDQCZPIGBEFS-UHFFFAOYSA-N 0 2 414.462 3.594 20 0 HHADLN COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(/C=C\c3ccccc3)cs2)c1 ZINC000514763524 1006117075 /nfs/dbraw/zinc/11/70/75/1006117075.db2.gz LEHBVWDTTBILSR-KHPPLWFESA-N 0 2 414.508 3.830 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1 ZINC000514812269 1006142966 /nfs/dbraw/zinc/14/29/66/1006142966.db2.gz NCEMVHNFWQBXEN-UHFFFAOYSA-N 0 2 421.436 3.581 20 0 HHADLN C[C@]12CCC[N@@H+]1C[C@H](c1noc([C@@H]3CCn4c(cnc4C4CCCCC4)C3)n1)OC2 ZINC000514819165 1006150500 /nfs/dbraw/zinc/15/05/00/1006150500.db2.gz XVCUMMJPJFCVCZ-LYHRCORUSA-N 0 2 411.550 3.970 20 0 HHADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1nc2ccc(C)cc2s1 ZINC000534169141 1006152525 /nfs/dbraw/zinc/15/25/25/1006152525.db2.gz VVGPYGUUCKSHAS-UHFFFAOYSA-N 0 2 417.512 3.763 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)NCc3cc(F)cc4c3OCOC4)=N2)c1 ZINC000531465226 1006214419 /nfs/dbraw/zinc/21/44/19/1006214419.db2.gz PUGYTADRUHAAPS-UHFFFAOYSA-N 0 2 411.433 3.637 20 0 HHADLN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)C1 ZINC000531468787 1006216886 /nfs/dbraw/zinc/21/68/86/1006216886.db2.gz GQISXIJAEMKTGG-KHKBPRLJSA-N 0 2 403.548 3.511 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccc2F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000531528176 1006256473 /nfs/dbraw/zinc/25/64/73/1006256473.db2.gz ZDHINPNSQBOGQU-UHFFFAOYSA-N 0 2 401.341 3.711 20 0 HHADLN Cc1ccc(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)cc1 ZINC000534288779 1006283970 /nfs/dbraw/zinc/28/39/70/1006283970.db2.gz VUILAAVCGAAWMS-UHFFFAOYSA-N 0 2 416.528 3.609 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)c2cccnc12 ZINC000531604684 1006301645 /nfs/dbraw/zinc/30/16/45/1006301645.db2.gz KDXNNTSRGNIDLO-UHFFFAOYSA-N 0 2 404.498 3.624 20 0 HHADLN O=S(=O)(Cc1ncc(-c2ccccc2)o1)c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000515123834 1006303725 /nfs/dbraw/zinc/30/37/25/1006303725.db2.gz DYZXDMBDZUNIRG-UHFFFAOYSA-N 0 2 400.847 3.754 20 0 HHADLN Cc1nc(COc2cccc(C(=O)N=c3nc(-c4cccnc4)[nH]s3)c2)cs1 ZINC000534432331 1006407879 /nfs/dbraw/zinc/40/78/79/1006407879.db2.gz BPQWQPVTWRJFGR-UHFFFAOYSA-N 0 2 409.496 3.618 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc(-c2ccco2)nn1-c1ccccc1 ZINC000534434154 1006409811 /nfs/dbraw/zinc/40/98/11/1006409811.db2.gz YTKNHGXTUINNDN-UHFFFAOYSA-N 0 2 414.450 3.720 20 0 HHADLN CCc1c(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cnn1-c1cccc(Cl)c1 ZINC000534438567 1006415952 /nfs/dbraw/zinc/41/59/52/1006415952.db2.gz PRZWVUYCUXNJQJ-UHFFFAOYSA-N 0 2 410.890 3.676 20 0 HHADLN Cc1nc2cc(C(=O)N=c3nc(-c4cccnc4)[nH]s3)ccc2n1-c1ccccc1 ZINC000534441984 1006420583 /nfs/dbraw/zinc/42/05/83/1006420583.db2.gz TXHGEVMXDVLEDK-UHFFFAOYSA-N 0 2 412.478 3.922 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3c(C)nn(Cc4ccccc4)c3C)s[nH]2)c1 ZINC000531801844 1006439132 /nfs/dbraw/zinc/43/91/32/1006439132.db2.gz KAQCKRTUNKPTTQ-UHFFFAOYSA-N 0 2 419.510 3.750 20 0 HHADLN CC(C)(C)OC(=O)c1cnc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)n[nH]2)cn1 ZINC000515615664 1006561511 /nfs/dbraw/zinc/56/15/11/1006561511.db2.gz GWLUTOFIBBWLGJ-UHFFFAOYSA-N 0 2 422.489 3.767 20 0 HHADLN O=C(NCc1ccc(O)c(Br)c1)c1cccc(Br)c1O ZINC000532019444 1006579658 /nfs/dbraw/zinc/57/96/58/1006579658.db2.gz ZBMONLJACJFNCW-UHFFFAOYSA-N 0 2 401.054 3.553 20 0 HHADLN C[C@@H]1CCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])C[C@H]1n1cc[nH+]c1 ZINC000532091763 1006626782 /nfs/dbraw/zinc/62/67/82/1006626782.db2.gz LPBKVPDAOITBLB-CZUORRHYSA-N 0 2 419.407 3.517 20 0 HHADLN CC1(C)c2cc(S(=O)(=O)Nc3cc(C4CCCCCC4)n[nH]3)ccc2NC1=O ZINC000532138852 1006665728 /nfs/dbraw/zinc/66/57/28/1006665728.db2.gz VVKBRSZCLAMNKB-UHFFFAOYSA-N 0 2 402.520 3.878 20 0 HHADLN Cc1c([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)nnn1-c1ccc(C)cc1 ZINC000532188568 1006707328 /nfs/dbraw/zinc/70/73/28/1006707328.db2.gz QRUNKYWQHHKFBO-GHTZIAJQSA-N 0 2 424.618 3.585 20 0 HHADLN Cc1ccc2cccc(S(=O)(=O)N3CCC[C@H]3c3nc(-c4ccccc4)n[nH]3)c2n1 ZINC000534742729 1006732834 /nfs/dbraw/zinc/73/28/34/1006732834.db2.gz UEJYTDIQOHRABA-SFHVURJKSA-N 0 2 419.510 3.854 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCC(C2CCOCC2)CC1 ZINC000516117704 1006895777 /nfs/dbraw/zinc/89/57/77/1006895777.db2.gz KMJGYMSCGSSRLR-UHFFFAOYSA-N 0 2 406.939 3.951 20 0 HHADLN Cc1n[nH]c([C@@H]2CCC[N@H+](CC(=O)N(C)[C@@H](c3ccccc3)c3ccc(F)cc3)C2)n1 ZINC000538665362 1006948656 /nfs/dbraw/zinc/94/86/56/1006948656.db2.gz YVYDZYIAWURUHJ-OFNKIYASSA-N 0 2 421.520 3.680 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2noc(-c3ccccc3)n2)c2ccccc12 ZINC000538713247 1006987902 /nfs/dbraw/zinc/98/79/02/1006987902.db2.gz BLUCCQACCJODLK-UHFFFAOYSA-N 0 2 408.439 3.649 20 0 HHADLN COc1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)ncc1Br ZINC000534976646 1007035712 /nfs/dbraw/zinc/03/57/12/1007035712.db2.gz OGYYRAOTAVOAMA-UHFFFAOYSA-N 0 2 412.092 3.960 20 0 HHADLN C[C@@H](CC(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1ccc(F)cc1 ZINC000516402339 1007063522 /nfs/dbraw/zinc/06/35/22/1007063522.db2.gz MZXGPHNHLXAYAC-LBPRGKRZSA-N 0 2 420.491 3.610 20 0 HHADLN COc1ccnc2c(NS(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4)cccc12 ZINC000535054023 1007081913 /nfs/dbraw/zinc/08/19/13/1007081913.db2.gz VAACWJXQWUMZER-UHFFFAOYSA-N 0 2 405.435 3.763 20 0 HHADLN CCOc1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000535128435 1007164253 /nfs/dbraw/zinc/16/42/53/1007164253.db2.gz BOANGYBMDLZONY-UHFFFAOYSA-N 0 2 417.512 3.619 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000516657986 1007212293 /nfs/dbraw/zinc/21/22/93/1007212293.db2.gz NEVJUBGGHWSZOM-GJZGRUSLSA-N 0 2 404.923 3.846 20 0 HHADLN O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535171235 1007214137 /nfs/dbraw/zinc/21/41/37/1007214137.db2.gz DEHBGIRCDCAWPD-UHFFFAOYSA-N 0 2 413.409 3.527 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000535173758 1007217268 /nfs/dbraw/zinc/21/72/68/1007217268.db2.gz NDCXXRUVCNYFGI-UHFFFAOYSA-N 0 2 401.451 3.527 20 0 HHADLN Cc1ccc(Cn2cccc(NC(=O)c3cccc(Br)c3O)c2=O)cc1 ZINC000532837207 1007220544 /nfs/dbraw/zinc/22/05/44/1007220544.db2.gz MYCLKOQYBBQVNO-UHFFFAOYSA-N 0 2 413.271 3.925 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1nnc(Cc2ccc(Cl)cc2)o1 ZINC000516906544 1007341793 /nfs/dbraw/zinc/34/17/93/1007341793.db2.gz PRHDAVIZSQNZGX-UHFFFAOYSA-N 0 2 423.926 3.584 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cn(C)nc2-c2ccccc2)ccc1Br ZINC000539110100 1007396803 /nfs/dbraw/zinc/39/68/03/1007396803.db2.gz BEEASEYIDJUMFG-UHFFFAOYSA-N 0 2 422.304 3.659 20 0 HHADLN O=S(=O)(Nc1cnn(-c2cnc3ccccc3n2)c1)c1ccc(C(F)(F)F)cc1 ZINC000535344226 1007397574 /nfs/dbraw/zinc/39/75/74/1007397574.db2.gz IDLBOOHOUVVTAH-UHFFFAOYSA-N 0 2 419.388 3.635 20 0 HHADLN O=S(=O)(Nc1cnn(-c2cnc3ccccc3n2)c1)c1cc(Cl)cc(Cl)c1 ZINC000535343646 1007398114 /nfs/dbraw/zinc/39/81/14/1007398114.db2.gz GPOXIBLKPSAZFG-UHFFFAOYSA-N 0 2 420.281 3.923 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1Cl ZINC000517158054 1007468542 /nfs/dbraw/zinc/46/85/42/1007468542.db2.gz DEZRLTKLQLBHEC-UHFFFAOYSA-N 0 2 408.842 3.628 20 0 HHADLN C[N@@H+](Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)Cc1n[nH]c(=O)[n-]1 ZINC000539197330 1007494645 /nfs/dbraw/zinc/49/46/45/1007494645.db2.gz DKIBEOQABWMYSE-UHFFFAOYSA-N 0 2 408.893 3.708 20 0 HHADLN C[N@H+](Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)Cc1n[nH]c(=O)[n-]1 ZINC000539197330 1007494651 /nfs/dbraw/zinc/49/46/51/1007494651.db2.gz DKIBEOQABWMYSE-UHFFFAOYSA-N 0 2 408.893 3.708 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)cc1 ZINC000535508698 1007564137 /nfs/dbraw/zinc/56/41/37/1007564137.db2.gz SAXOOJWAKQUMQT-UHFFFAOYSA-N 0 2 417.478 3.693 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2cc(Br)cc(Cl)c2O)c1 ZINC000535618814 1007623128 /nfs/dbraw/zinc/62/31/28/1007623128.db2.gz WSGLCPKEFCZKHD-UHFFFAOYSA-N 0 2 422.684 3.626 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000539440108 1007749515 /nfs/dbraw/zinc/74/95/15/1007749515.db2.gz UOTMFTSGKFUTLO-HZPDHXFCSA-N 0 2 402.426 3.557 20 0 HHADLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC000517569497 1007775885 /nfs/dbraw/zinc/77/58/85/1007775885.db2.gz VJSLQDSJCOYPDQ-HXUWFJFHSA-N 0 2 424.526 3.805 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3cc(C)oc3C)s2)c1 ZINC000539553042 1007866754 /nfs/dbraw/zinc/86/67/54/1007866754.db2.gz WAKRUIHUWCMZPE-UHFFFAOYSA-N 0 2 406.485 3.531 20 0 HHADLN CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535931781 1007958534 /nfs/dbraw/zinc/95/85/34/1007958534.db2.gz SGYMIPDMQYKTDM-UHFFFAOYSA-N 0 2 404.499 3.758 20 0 HHADLN CC(C)Oc1cc(Br)cc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c1 ZINC000533729766 1008056080 /nfs/dbraw/zinc/05/60/80/1008056080.db2.gz VLXRLYALTZFANP-UHFFFAOYSA-N 0 2 419.304 3.824 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000533782590 1008105891 /nfs/dbraw/zinc/10/58/91/1008105891.db2.gz OQQCGHJVDAWHKK-UHFFFAOYSA-N 0 2 405.361 3.654 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cc1OC ZINC000533786731 1008109262 /nfs/dbraw/zinc/10/92/62/1008109262.db2.gz AKNGRVNTHNXULP-UHFFFAOYSA-N 0 2 422.247 3.935 20 0 HHADLN O=S(=O)(Nc1cccc(OCCF)c1)c1cc(F)c(Br)cc1F ZINC000533787495 1008110464 /nfs/dbraw/zinc/11/04/64/1008110464.db2.gz KCYQROZPWXGAPN-UHFFFAOYSA-N 0 2 410.211 3.876 20 0 HHADLN O=C(c1ccccc1OCc1ccccc1Cl)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000536098652 1008122432 /nfs/dbraw/zinc/12/24/32/1008122432.db2.gz LAAPBQKZHFFJSA-UHFFFAOYSA-N 0 2 412.877 3.763 20 0 HHADLN O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)c1cccc(Br)c1O ZINC000539843026 1008134096 /nfs/dbraw/zinc/13/40/96/1008134096.db2.gz OLFPVQXLNMQYDD-UHFFFAOYSA-N 0 2 409.667 3.953 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cn1 ZINC000539856386 1008143969 /nfs/dbraw/zinc/14/39/69/1008143969.db2.gz YOCPPQKPLZBAKV-UHFFFAOYSA-N 0 2 400.481 3.820 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(CCCO)Cc2cccc(Cl)c2)=N1 ZINC000533834927 1008144462 /nfs/dbraw/zinc/14/44/62/1008144462.db2.gz ZDBJASYBAOUQNG-UHFFFAOYSA-N 0 2 417.868 3.704 20 0 HHADLN CC(=O)N1CC[C@@H](NC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)c2ccccc21 ZINC000533860591 1008163297 /nfs/dbraw/zinc/16/32/97/1008163297.db2.gz MEUVBQCMPFSABQ-HXUWFJFHSA-N 0 2 418.497 3.929 20 0 HHADLN Cc1ccc(-c2nc(S(=O)(=O)[C@H](C)C(=O)Nc3ccccc3C(C)C)n[nH]2)cc1 ZINC000518304533 1008250998 /nfs/dbraw/zinc/25/09/98/1008250998.db2.gz UIXNPKHRKNTDLK-OAHLLOKOSA-N 0 2 412.515 3.704 20 0 HHADLN COCc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)cc1 ZINC000540335073 1008385810 /nfs/dbraw/zinc/38/58/10/1008385810.db2.gz FBKCEWFCZBSMCM-UHFFFAOYSA-N 0 2 409.870 3.671 20 0 HHADLN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000518738496 1008408754 /nfs/dbraw/zinc/40/87/54/1008408754.db2.gz SIGXURFMGPSPNF-BBRMVZONSA-N 0 2 417.922 3.774 20 0 HHADLN Cc1cc(C(=O)CS(=O)(=O)[C@H](C)c2ccc(OC(F)(F)F)cc2)c(C)n1C ZINC000518915245 1008471952 /nfs/dbraw/zinc/47/19/52/1008471952.db2.gz GDTOGVLODBFTPZ-CYBMUJFWSA-N 0 2 403.422 3.899 20 0 HHADLN CSc1ccc(C)c(NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)c1 ZINC000540552930 1008478379 /nfs/dbraw/zinc/47/83/79/1008478379.db2.gz DLRKMRSPVWNKAZ-UHFFFAOYSA-N 0 2 422.557 3.565 20 0 HHADLN CC(C)(C)c1ncc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)cn1 ZINC000519033106 1008506823 /nfs/dbraw/zinc/50/68/23/1008506823.db2.gz GWRUJZNCUBJJQU-UHFFFAOYSA-N 0 2 403.533 3.644 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1nccnc1Sc1ccccc1 ZINC000543120860 1008694111 /nfs/dbraw/zinc/69/41/11/1008694111.db2.gz CUTOEFMUKWVJPE-UHFFFAOYSA-N 0 2 409.496 3.610 20 0 HHADLN CC1(C)Cc2nc(NS(=O)(=O)c3ccc(OCC(F)F)cc3)sc2C(=O)C1 ZINC000543148207 1008721701 /nfs/dbraw/zinc/72/17/01/1008721701.db2.gz KWEABQLKGDHINO-UHFFFAOYSA-N 0 2 416.471 3.743 20 0 HHADLN COc1cc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)cc(Br)c1OC ZINC000519554131 1008901884 /nfs/dbraw/zinc/90/18/84/1008901884.db2.gz MXRSMPZQKRWCNF-UHFFFAOYSA-N 0 2 420.288 3.659 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ncc(Cc4cccc(F)c4)s3)cc12 ZINC000545857813 1008945525 /nfs/dbraw/zinc/94/55/25/1008945525.db2.gz SUQZRZHWRHYYRJ-UHFFFAOYSA-N 0 2 418.475 3.772 20 0 HHADLN CN(C)c1cc(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)ncn1 ZINC000519732459 1008986602 /nfs/dbraw/zinc/98/66/02/1008986602.db2.gz HZIACBHSMLYUPI-UHFFFAOYSA-N 0 2 404.879 3.789 20 0 HHADLN O=S(=O)(N[C@@H](c1nccs1)C(F)(F)F)c1cc(Br)ccc1F ZINC000549524046 1009133657 /nfs/dbraw/zinc/13/36/57/1009133657.db2.gz DFJGBPVXXMNKRW-VIFPVBQESA-N 0 2 419.219 3.627 20 0 HHADLN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000546150621 1009180916 /nfs/dbraw/zinc/18/09/16/1009180916.db2.gz DXAJQNLKSXTZDN-UHFFFAOYSA-N 0 2 415.298 3.800 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3ncc(-c4ccccc4F)s3)c(F)cc2N1 ZINC000549608805 1009236752 /nfs/dbraw/zinc/23/67/52/1009236752.db2.gz VYRABGYLIBZVQC-UHFFFAOYSA-N 0 2 421.450 3.774 20 0 HHADLN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000543651354 1009255964 /nfs/dbraw/zinc/25/59/64/1009255964.db2.gz ACLSBQOTWBLYPL-CYBMUJFWSA-N 0 2 417.926 3.652 20 0 HHADLN C[C@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1nc(C(C)(C)C)no1 ZINC000543655685 1009261921 /nfs/dbraw/zinc/26/19/21/1009261921.db2.gz DHFXNAUVASXUCV-VIFPVBQESA-N 0 2 406.899 3.844 20 0 HHADLN COc1ccccc1O[C@H](C)CNC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000543655940 1009262091 /nfs/dbraw/zinc/26/20/91/1009262091.db2.gz JQMQCXFAAYPCJV-GFCCVEGCSA-N 0 2 418.906 3.878 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000543658111 1009265202 /nfs/dbraw/zinc/26/52/02/1009265202.db2.gz SWYNAWWUZGXPCX-HZPDHXFCSA-N 0 2 400.891 3.932 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCC[C@H]1C(=O)Nc2ccccc21 ZINC000543658129 1009265240 /nfs/dbraw/zinc/26/52/40/1009265240.db2.gz RCZJHNLXQWAVNV-GFCCVEGCSA-N 0 2 413.890 3.528 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1cn2cc(Cl)ccc2n1 ZINC000543658887 1009266862 /nfs/dbraw/zinc/26/68/62/1009266862.db2.gz RTZQVWPVLBLUMC-UHFFFAOYSA-N 0 2 419.297 3.903 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@H](C)c3ccc4c(c3)CC(=O)N4)=N2)c1 ZINC000549821966 1009432741 /nfs/dbraw/zinc/43/27/41/1009432741.db2.gz KQXFAQQFVHFVHI-CQSZACIVSA-N 0 2 404.470 3.687 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2ccc3cc(Br)ccc3c2)nc1 ZINC000550049343 1009647724 /nfs/dbraw/zinc/64/77/24/1009647724.db2.gz QCCWWHFEINMODD-UHFFFAOYSA-N 0 2 421.272 3.585 20 0 HHADLN O=S(=O)(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1ccc(OCC(F)F)cc1 ZINC000544079389 1009685353 /nfs/dbraw/zinc/68/53/53/1009685353.db2.gz GCEICFNHRVZVBE-UHFFFAOYSA-N 0 2 415.368 3.800 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3cc(C)n([C@H](C)C4CC4)n3)cc2F)c1 ZINC000544094938 1009704346 /nfs/dbraw/zinc/70/43/46/1009704346.db2.gz GSGMZZJIIGSIJP-CQSZACIVSA-N 0 2 403.483 3.597 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(F)ccc2Br)c2ncccc12 ZINC000546729223 1009704488 /nfs/dbraw/zinc/70/44/88/1009704488.db2.gz FDCHCSGAZNWDTB-UHFFFAOYSA-N 0 2 411.252 3.946 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc3c(c2)OCCO3)cnn1-c1cccc(F)c1 ZINC000544098745 1009708081 /nfs/dbraw/zinc/70/80/81/1009708081.db2.gz PDFJBHAQCMCZHK-UHFFFAOYSA-N 0 2 417.462 3.536 20 0 HHADLN COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2NC(=O)N(C)C)cc1Cl ZINC000520636121 1009712619 /nfs/dbraw/zinc/71/26/19/1009712619.db2.gz NCONJKAXRFKHNB-UHFFFAOYSA-N 0 2 418.302 3.896 20 0 HHADLN CCOc1c(Cl)cc(C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)cc1OC ZINC000550121630 1009713730 /nfs/dbraw/zinc/71/37/30/1009713730.db2.gz AUHXMYCWNXCCKO-UHFFFAOYSA-N 0 2 402.838 3.799 20 0 HHADLN CCOc1ccc(OC)cc1NS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000546859704 1009822613 /nfs/dbraw/zinc/82/26/13/1009822613.db2.gz PLCUUCFMIPKJRI-UHFFFAOYSA-N 0 2 416.293 3.666 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2cc(F)cc(F)c2OC)c1 ZINC000546860878 1009823174 /nfs/dbraw/zinc/82/31/74/1009823174.db2.gz SAPFIFIOEISPIR-UHFFFAOYSA-N 0 2 408.220 3.545 20 0 HHADLN CCc1nocc1CN(C)Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[nH]1 ZINC000550336704 1009871743 /nfs/dbraw/zinc/87/17/43/1009871743.db2.gz AADLUMHIKHTCHX-UHFFFAOYSA-N 0 2 410.499 3.843 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3C[C@H](C)C[C@@H]3c3cccc(OC)c3)=N2)cc1 ZINC000544322163 1009945780 /nfs/dbraw/zinc/94/57/80/1009945780.db2.gz KNJIZGVTTWAENL-FOIQADDNSA-N 0 2 407.470 3.818 20 0 HHADLN C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])C[C@H](C)O1 ZINC000550597574 1010054735 /nfs/dbraw/zinc/05/47/35/1010054735.db2.gz KGAUEWGKADEKHJ-HOTGVXAUSA-N 0 2 424.476 3.579 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cc1OC ZINC000521025536 1010059812 /nfs/dbraw/zinc/05/98/12/1010059812.db2.gz KJWVKOMXYVUNAR-UHFFFAOYSA-N 0 2 422.400 3.729 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NC[C@H](OC)c3ccc(Cl)cc3)s[nH]2)c1 ZINC000544592997 1010218811 /nfs/dbraw/zinc/21/88/11/1010218811.db2.gz XMTHYXFJGRNVCB-INIZCTEOSA-N 0 2 418.906 3.798 20 0 HHADLN CC(=O)Nc1cccc(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c1 ZINC000544635617 1010259378 /nfs/dbraw/zinc/25/93/78/1010259378.db2.gz NSXZAZVHEXECNN-UHFFFAOYSA-N 0 2 401.879 3.561 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000544638984 1010264181 /nfs/dbraw/zinc/26/41/81/1010264181.db2.gz WUIROBTZTMVZAM-HUUCEWRRSA-N 0 2 402.911 3.782 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)=N1 ZINC000544651376 1010275223 /nfs/dbraw/zinc/27/52/23/1010275223.db2.gz GGKYWEZMDOKFOW-WIYYLYMNSA-N 0 2 409.461 3.930 20 0 HHADLN O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc([N+](=O)[O-])cc1O ZINC000547473062 1010319609 /nfs/dbraw/zinc/31/96/09/1010319609.db2.gz GVJCMNGHHBZNFV-UHFFFAOYSA-N 0 2 406.420 3.836 20 0 HHADLN COc1ccc2ccccc2c1CNC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000547526019 1010339142 /nfs/dbraw/zinc/33/91/42/1010339142.db2.gz NPSANGJRDIGXOH-UHFFFAOYSA-N 0 2 408.483 3.900 20 0 HHADLN CC(C)[C@@H](NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1)c1nc2ccccc2[nH]1 ZINC000547537090 1010343887 /nfs/dbraw/zinc/34/38/87/1010343887.db2.gz RZTSOCVJBMWAFO-MRXNPFEDSA-N 0 2 410.503 3.812 20 0 HHADLN CC(C)S(=O)(=O)c1ccccc1NS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000547605282 1010361891 /nfs/dbraw/zinc/36/18/91/1010361891.db2.gz CLWSQSNAEHNGST-UHFFFAOYSA-N 0 2 421.462 3.829 20 0 HHADLN Cc1ccnc2c1cccc2S(=O)(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000547631491 1010372004 /nfs/dbraw/zinc/37/20/04/1010372004.db2.gz RUAKDFWKQOSNRS-UHFFFAOYSA-N 0 2 417.918 3.834 20 0 HHADLN CCC(C)(C)OCc1cccc(NS(=O)(=O)c2cnn(CC(F)F)c2)c1C ZINC000551107518 1010373219 /nfs/dbraw/zinc/37/32/19/1010373219.db2.gz UFJBFOIMUFFSPZ-UHFFFAOYSA-N 0 2 401.479 3.963 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cccc3cc[nH]c32)c(OC)cc1Br ZINC000547703479 1010395857 /nfs/dbraw/zinc/39/58/57/1010395857.db2.gz RMLIXIZVQBGTMX-UHFFFAOYSA-N 0 2 411.277 3.748 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)c1 ZINC000544817693 1010410736 /nfs/dbraw/zinc/41/07/36/1010410736.db2.gz YRPUCUWEMXENOO-UHFFFAOYSA-N 0 2 420.288 3.716 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccco2)s1)c1cccc(Br)c1F ZINC000551171830 1010416024 /nfs/dbraw/zinc/41/60/24/1010416024.db2.gz TZFCDAFYWWZWDJ-UHFFFAOYSA-N 0 2 404.242 3.501 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)c(F)c1 ZINC000521530807 1010442508 /nfs/dbraw/zinc/44/25/08/1010442508.db2.gz NPGAQGUWTWHGJH-UHFFFAOYSA-N 0 2 404.385 3.535 20 0 HHADLN CSc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)cn1 ZINC000547954190 1010481214 /nfs/dbraw/zinc/48/12/14/1010481214.db2.gz YZNYZYUUELECEP-LBPRGKRZSA-N 0 2 414.936 3.673 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000547996330 1010501696 /nfs/dbraw/zinc/50/16/96/1010501696.db2.gz CHNNLTZNEJZPBF-MRXNPFEDSA-N 0 2 402.426 3.511 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000547996329 1010501754 /nfs/dbraw/zinc/50/17/54/1010501754.db2.gz CHNNLTZNEJZPBF-INIZCTEOSA-N 0 2 402.426 3.511 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(C)cc2)cc1Cl ZINC000551357743 1010537708 /nfs/dbraw/zinc/53/77/08/1010537708.db2.gz LGWBYQMHQFPLJW-UHFFFAOYSA-N 0 2 418.906 3.652 20 0 HHADLN CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2nc(CN3CCOCC3)cs2)c1 ZINC000551391426 1010556902 /nfs/dbraw/zinc/55/69/02/1010556902.db2.gz ZRTJEOWLYHHUNY-UHFFFAOYSA-N 0 2 415.968 3.553 20 0 HHADLN Cc1c(NC(=O)c2ccccc2)cccc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000551467053 1010603679 /nfs/dbraw/zinc/60/36/79/1010603679.db2.gz PSTLQLWBEGHDCT-UHFFFAOYSA-N 0 2 420.441 3.510 20 0 HHADLN COc1ccc(CCc2nnc(NS(=O)(=O)c3cc(Cl)ccc3C)o2)cc1 ZINC000521769539 1010603742 /nfs/dbraw/zinc/60/37/42/1010603742.db2.gz YJEBFKPLUKCEJB-UHFFFAOYSA-N 0 2 407.879 3.626 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc(SC)c2C)c1OC ZINC000551477221 1010611615 /nfs/dbraw/zinc/61/16/15/1010611615.db2.gz JWWCAKDZZFKTJH-UHFFFAOYSA-N 0 2 415.920 3.966 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)NCc2ccc(C3CCCCC3)cc2)s[nH]1 ZINC000551489385 1010618917 /nfs/dbraw/zinc/61/89/17/1010618917.db2.gz BJBVUWITENLZQG-UHFFFAOYSA-N 0 2 400.548 3.560 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ccccc3OC[C@@H]3CCCCO3)cc12 ZINC000545119715 1010626859 /nfs/dbraw/zinc/62/68/59/1010626859.db2.gz OKMJBPHRLLAMMQ-AWEZNQCLSA-N 0 2 417.487 3.534 20 0 HHADLN O=C(CC1CCCC1)NC1CCC(C(=O)N=c2nc(-c3ccsc3)[nH]s2)CC1 ZINC000521834233 1010646435 /nfs/dbraw/zinc/64/64/35/1010646435.db2.gz VRSKHCWJZPJBBN-UHFFFAOYSA-N 0 2 418.588 3.882 20 0 HHADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1nc2ccsc2s1 ZINC000551669305 1010731143 /nfs/dbraw/zinc/73/11/43/1010731143.db2.gz ALIHKGVNXMREEY-UHFFFAOYSA-N 0 2 409.514 3.516 20 0 HHADLN Cn1nc(C2CCCC2)cc1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000545379280 1010762826 /nfs/dbraw/zinc/76/28/26/1010762826.db2.gz CREXUDCAZKHNAN-UHFFFAOYSA-N 0 2 420.279 3.919 20 0 HHADLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(C4(C(=O)OC)CC4)cc3)sc2C1 ZINC000540650584 1011302874 /nfs/dbraw/zinc/30/28/74/1011302874.db2.gz GLKQPQNCKPTZBK-CYBMUJFWSA-N 0 2 420.556 3.663 20 0 HHADLN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2nc(CC(C)(C)C)cs2)c1 ZINC000540652255 1011304525 /nfs/dbraw/zinc/30/45/25/1011304525.db2.gz QTSRRMBUGPCAOM-UHFFFAOYSA-N 0 2 416.590 3.553 20 0 HHADLN C[C@H](Cc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000523101469 1011571965 /nfs/dbraw/zinc/57/19/65/1011571965.db2.gz KMUKQGBUPYGVME-CYBMUJFWSA-N 0 2 419.503 3.900 20 0 HHADLN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(C(=O)OC(C)(C)C)c(C)c1 ZINC000536411548 1011624979 /nfs/dbraw/zinc/62/49/79/1011624979.db2.gz YGVQDRVDRCBNID-UHFFFAOYSA-N 0 2 405.472 3.538 20 0 HHADLN COc1c(NS(=O)(=O)c2c(C)sc3ccc(Cl)cc32)cccc1C(N)=O ZINC000541123874 1011780832 /nfs/dbraw/zinc/78/08/32/1011780832.db2.gz CMAXEOKJILMVDQ-UHFFFAOYSA-N 0 2 410.904 3.771 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000541124157 1011780877 /nfs/dbraw/zinc/78/08/77/1011780877.db2.gz DTOMVTPSAGAHJA-UHFFFAOYSA-N 0 2 417.405 3.869 20 0 HHADLN COC(=O)c1c(OC)ccc(S(=O)(=O)Nc2cccc3ccsc32)c1OC ZINC000536658076 1011805949 /nfs/dbraw/zinc/80/59/49/1011805949.db2.gz LDEYAXRFHXPISO-UHFFFAOYSA-N 0 2 407.469 3.506 20 0 HHADLN CCCc1cc(NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)n(C)n1 ZINC000536767710 1011969886 /nfs/dbraw/zinc/96/98/86/1011969886.db2.gz NTJVSJFYQSPTOM-UHFFFAOYSA-N 0 2 409.458 3.971 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1oc(CC2CC2)nc1C ZINC000551917418 1012022319 /nfs/dbraw/zinc/02/23/19/1012022319.db2.gz JYCORRJKQSOJMS-IBGZPJMESA-N 0 2 422.529 3.788 20 0 HHADLN Cc1cccc([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000523509647 1012033497 /nfs/dbraw/zinc/03/34/97/1012033497.db2.gz NNEYMPCPULHYQX-CQSZACIVSA-N 0 2 401.513 3.995 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1cc(C(C)C)nn1CC ZINC000552002754 1012043051 /nfs/dbraw/zinc/04/30/51/1012043051.db2.gz JJZJGLYSRHOROQ-IBGZPJMESA-N 0 2 423.561 3.879 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)Cc1cccc(OCc2cccnc2)c1 ZINC000552029876 1012055662 /nfs/dbraw/zinc/05/56/62/1012055662.db2.gz DNNQGZYJYLSJGR-UHFFFAOYSA-N 0 2 415.453 3.641 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)NCCCc1nc(-c2ccc(F)cc2)no1 ZINC000541420028 1012165528 /nfs/dbraw/zinc/16/55/28/1012165528.db2.gz RIOLIVZBHGAOKW-UHFFFAOYSA-N 0 2 424.461 3.570 20 0 HHADLN COc1c(C)cc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1C ZINC000536908204 1012173532 /nfs/dbraw/zinc/17/35/32/1012173532.db2.gz DOWTXVTZEJJFEG-UHFFFAOYSA-N 0 2 417.512 3.822 20 0 HHADLN COCCOc1ccc(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)cc1Cl ZINC000523731008 1012348524 /nfs/dbraw/zinc/34/85/24/1012348524.db2.gz UQLFCGMCHHHKGV-UHFFFAOYSA-N 0 2 401.916 3.560 20 0 HHADLN Cc1cc(CCC(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)ccc1Br ZINC000552603867 1012604641 /nfs/dbraw/zinc/60/46/41/1012604641.db2.gz DZPNJRFTFFSBNG-UHFFFAOYSA-N 0 2 401.264 3.820 20 0 HHADLN COc1cccc(C[C@H]2CCCN2C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)c1 ZINC000541757311 1012618048 /nfs/dbraw/zinc/61/80/48/1012618048.db2.gz UDKUCJZPFNRMHF-QGZVFWFLSA-N 0 2 424.526 3.883 20 0 HHADLN COc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cc1 ZINC000552623464 1012625673 /nfs/dbraw/zinc/62/56/73/1012625673.db2.gz PLOJYPDRDQJHAB-UHFFFAOYSA-N 0 2 414.421 3.669 20 0 HHADLN C[C@@H]1CC[C@H](NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C[C@H]1C ZINC000541776082 1012644116 /nfs/dbraw/zinc/64/41/16/1012644116.db2.gz DWBGKWWBTCSIAC-NFAWXSAZSA-N 0 2 408.549 3.890 20 0 HHADLN O=S(=O)(Nc1nc(/C=C/c2ccccc2)cs1)c1ccccc1Cn1cncn1 ZINC000541786943 1012657879 /nfs/dbraw/zinc/65/78/79/1012657879.db2.gz FOWALUJUBCGFOR-ZHACJKMWSA-N 0 2 423.523 3.754 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N(CCO)[C@@H]1CCc2ccccc21 ZINC000541797005 1012673761 /nfs/dbraw/zinc/67/37/61/1012673761.db2.gz QXISSKXTGQVZSC-QGZVFWFLSA-N 0 2 414.918 3.794 20 0 HHADLN CCOc1ccc2nc(NS(=O)(=O)c3cc(OC)c(OC)cc3F)sc2c1 ZINC000524050338 1012802556 /nfs/dbraw/zinc/80/25/56/1012802556.db2.gz PEVOYYNDSMPPLC-UHFFFAOYSA-N 0 2 412.464 3.652 20 0 HHADLN CCc1nc2cc(S(=O)(=O)Nc3nc(CN4CCC[C@@H](C)C4)cs3)ccc2o1 ZINC000542012203 1012896359 /nfs/dbraw/zinc/89/63/59/1012896359.db2.gz PXRPDCLQKDIITN-CYBMUJFWSA-N 0 2 420.560 3.879 20 0 HHADLN COC(=O)CCCOc1ccc(NC(=O)c2cccc(Br)c2O)cc1 ZINC000524166878 1012959819 /nfs/dbraw/zinc/95/98/19/1012959819.db2.gz UWDYOBCANXSCKD-UHFFFAOYSA-N 0 2 408.248 3.739 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(COCc3ccco3)c2)c(F)c1 ZINC000614840328 1071756834 /nfs/dbraw/zinc/75/68/34/1071756834.db2.gz AVZIRPBARKOPAF-UHFFFAOYSA-N 0 2 418.446 3.895 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)NCCCCC(C)(C)C)cc2[nH]c1=S ZINC000729388291 1071823627 /nfs/dbraw/zinc/82/36/27/1071823627.db2.gz GDULEXXHLQLHPC-UHFFFAOYSA-N 0 2 405.564 3.668 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@@H](C)Cc2ccncc2)cc1 ZINC000487864615 1072102612 /nfs/dbraw/zinc/10/26/12/1072102612.db2.gz ZHHZJOSCSKPBAN-HNNXBMFYSA-N 0 2 415.540 3.613 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(Br)cc2C)c(OC)c1 ZINC000488223515 1072129411 /nfs/dbraw/zinc/12/94/11/1072129411.db2.gz AJJCJOZGNADKDX-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN O=S(=O)(Nc1ccc(-n2cccn2)nc1)c1cc(Cl)ccc1OCCC1CC1 ZINC000488229312 1072149757 /nfs/dbraw/zinc/14/97/57/1072149757.db2.gz HFEJWNIIISPCJV-UHFFFAOYSA-N 0 2 418.906 3.900 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cccc(-c3nccs3)c2)c(OC)c1 ZINC000488237018 1072152501 /nfs/dbraw/zinc/15/25/01/1072152501.db2.gz XXONMAVGNIFMGG-UHFFFAOYSA-N 0 2 406.485 3.637 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(OC(C)C)c(Cl)c2)c(OC)c1 ZINC000488248267 1072163995 /nfs/dbraw/zinc/16/39/95/1072163995.db2.gz CKEYLTQXEGTGGV-UHFFFAOYSA-N 0 2 415.895 3.954 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)Nc3cscc3C)c2)cc1 ZINC000536723222 1072190618 /nfs/dbraw/zinc/19/06/18/1072190618.db2.gz TWULTFGFVMFISN-UHFFFAOYSA-N 0 2 418.496 3.824 20 0 HHADLN Cc1ccc(Sc2ncccc2C(=O)NN2C(=O)c3ccccc3C2=O)cc1C ZINC000912686374 1072263606 /nfs/dbraw/zinc/26/36/06/1072263606.db2.gz JZDMSZUZBSSMAF-UHFFFAOYSA-N 0 2 403.463 3.791 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NCc3c(OC)ccc4ccccc43)cc2[nH]c1=S ZINC000913026816 1072316624 /nfs/dbraw/zinc/31/66/24/1072316624.db2.gz RYMRGZBOCKODGL-UHFFFAOYSA-N 0 2 419.506 3.797 20 0 HHADLN CCC[C@@H](NC(=O)c1c(O)cc(F)cc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000586762397 1072421154 /nfs/dbraw/zinc/42/11/54/1072421154.db2.gz LVYIWSJSZMTBEC-GOSISDBHSA-N 0 2 417.456 3.808 20 0 HHADLN CCC(C)(C)CNC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000760556367 1072575406 /nfs/dbraw/zinc/57/54/06/1072575406.db2.gz PUESQDZLHNOYAR-UHFFFAOYSA-N 0 2 408.495 3.801 20 0 HHADLN CC(C)n1ncc2cc(NS(=O)(=O)c3c(F)cccc3OC(F)(F)F)cnc21 ZINC000571596016 1072687975 /nfs/dbraw/zinc/68/79/75/1072687975.db2.gz MPIZKOMFCHSGIL-UHFFFAOYSA-N 0 2 418.372 3.851 20 0 HHADLN Cc1cc(Br)cc(C)c1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000479137565 1072749959 /nfs/dbraw/zinc/74/99/59/1072749959.db2.gz NKKSZWCSOHDJJA-UHFFFAOYSA-N 0 2 412.231 3.626 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccs2)ns1)c1ccc(CC(F)(F)F)cc1 ZINC000479120165 1072757169 /nfs/dbraw/zinc/75/71/69/1072757169.db2.gz UPPFWUMYDFXRCP-UHFFFAOYSA-N 0 2 405.448 3.594 20 0 HHADLN Cc1cc(C2CC2)nc(NS(=O)(=O)c2cc(Br)ccc2Cl)n1 ZINC000479123819 1072761698 /nfs/dbraw/zinc/76/16/98/1072761698.db2.gz NPJJXHRJFLYXJP-UHFFFAOYSA-N 0 2 402.701 3.879 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1c(C)cc(Br)cc1C ZINC000479139708 1072762336 /nfs/dbraw/zinc/76/23/36/1072762336.db2.gz UNNCGROQNWBVPQ-UHFFFAOYSA-N 0 2 400.294 3.884 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1c(C)[nH]nc1C(F)F ZINC000479144734 1072767362 /nfs/dbraw/zinc/76/73/62/1072767362.db2.gz POUGRTLTLBXQRY-UHFFFAOYSA-N 0 2 409.842 3.525 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc3ncsc3c2)nc1C(C)C ZINC000479153627 1072777736 /nfs/dbraw/zinc/77/77/36/1072777736.db2.gz IRPHUFQYRBLREZ-UHFFFAOYSA-N 0 2 411.530 3.854 20 0 HHADLN COCc1cccc(S(=O)(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CCC3)c1 ZINC000479138572 1072778987 /nfs/dbraw/zinc/77/89/87/1072778987.db2.gz YHHDQXVXEUSDOL-UHFFFAOYSA-N 0 2 417.918 3.962 20 0 HHADLN CN1CCc2ccc(S(=O)(=O)Nc3nnc(Cc4cccc5ccccc54)o3)cc21 ZINC000567450744 1072894915 /nfs/dbraw/zinc/89/49/15/1072894915.db2.gz RYAAWCVQNCVGPQ-UHFFFAOYSA-N 0 2 420.494 3.607 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)COc1ccc(C)c(C)c1 ZINC000571941817 1072947659 /nfs/dbraw/zinc/94/76/59/1072947659.db2.gz KVICNUCYZFIADN-QFIPXVFZSA-N 0 2 421.541 3.922 20 0 HHADLN COc1cc(OC)c(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1Cl ZINC000588627682 1073068054 /nfs/dbraw/zinc/06/80/54/1073068054.db2.gz QFYVADDFEYWAPO-UHFFFAOYSA-N 0 2 420.270 3.583 20 0 HHADLN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc(-c3ccccc3)c(C)n2)c1 ZINC000555142979 1073195352 /nfs/dbraw/zinc/19/53/52/1073195352.db2.gz RGMOAYDMFZSXLY-UHFFFAOYSA-N 0 2 416.524 3.651 20 0 HHADLN O=S(=O)(Nc1ccnc(Sc2ccccn2)c1)c1cnn(-c2ccccc2)c1 ZINC000589980593 1073457396 /nfs/dbraw/zinc/45/73/96/1073457396.db2.gz GJLFEABZHGHLLN-UHFFFAOYSA-N 0 2 409.496 3.614 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)c2n[nH]c(-c3ccccc3)c2Br)s[nH]1 ZINC000590120369 1073567360 /nfs/dbraw/zinc/56/73/60/1073567360.db2.gz OVPWZCAZMSHTHD-UHFFFAOYSA-N 0 2 406.309 3.662 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000555530092 1073602919 /nfs/dbraw/zinc/60/29/19/1073602919.db2.gz KXUVSYCGWUBOJD-UHFFFAOYSA-N 0 2 403.398 3.583 20 0 HHADLN O=C(c1cc2ccccc2n1Cc1ccccc1F)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000555551915 1073620135 /nfs/dbraw/zinc/62/01/35/1073620135.db2.gz BWIDJSRHIHOZCV-QGZVFWFLSA-N 0 2 419.460 3.672 20 0 HHADLN COCCOc1ncccc1NS(=O)(=O)c1ccc(OC(C)C)c2ccccc21 ZINC000590264906 1073718722 /nfs/dbraw/zinc/71/87/22/1073718722.db2.gz TYTQNGPUWPCESF-UHFFFAOYSA-N 0 2 416.499 3.848 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3cc4c(s3)CCCC4)o2)c(F)c1 ZINC000556037802 1074057267 /nfs/dbraw/zinc/05/72/67/1074057267.db2.gz VWKCOKJGTVBHCJ-UHFFFAOYSA-N 0 2 409.464 3.625 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)o2)c2cccnc12 ZINC000556040839 1074061015 /nfs/dbraw/zinc/06/10/15/1074061015.db2.gz XWWVSDBMJWVKQL-UHFFFAOYSA-N 0 2 424.482 3.753 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1sc2nccn2c1C ZINC000567962350 1074084585 /nfs/dbraw/zinc/08/45/85/1074084585.db2.gz DXNFWKBCMPDPAU-QGZVFWFLSA-N 0 2 423.542 3.557 20 0 HHADLN CCCNC(=O)c1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1Cl ZINC000591797440 1074545713 /nfs/dbraw/zinc/54/57/13/1074545713.db2.gz RPMXTFLQGDGSED-UHFFFAOYSA-N 0 2 406.813 3.698 20 0 HHADLN O=S(=O)(Nc1nc2cc(Cl)ccn2n1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000573652075 1074599423 /nfs/dbraw/zinc/59/94/23/1074599423.db2.gz UUGUMSFXTYDKBZ-UHFFFAOYSA-N 0 2 411.192 3.856 20 0 HHADLN Cc1ccc(Br)cc1S(=O)(=O)Nc1ccnn1Cc1ccccc1F ZINC000592360879 1074722275 /nfs/dbraw/zinc/72/22/75/1074722275.db2.gz UCBZECMAZFSTCA-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN O=S(=O)(Nc1noc(-c2ccccc2F)n1)c1ccc(F)c(C(F)(F)F)c1 ZINC000574266091 1075193729 /nfs/dbraw/zinc/19/37/29/1075193729.db2.gz HEQGMEBSEUCGHJ-UHFFFAOYSA-N 0 2 405.304 3.834 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cccnc2C(F)(F)F)ccc1OC1CCOCC1 ZINC000574668879 1075301434 /nfs/dbraw/zinc/30/14/34/1075301434.db2.gz ISYXTPXQBVAMDD-UHFFFAOYSA-N 0 2 416.421 3.767 20 0 HHADLN Cc1ccc(Br)cc1S(=O)(=O)Nc1cc(CC(C)(C)C)nn1C ZINC000595128591 1075405759 /nfs/dbraw/zinc/40/57/59/1075405759.db2.gz DZNFPMNRFPENRD-UHFFFAOYSA-N 0 2 400.342 3.880 20 0 HHADLN CC(C)(C)Cc1nc2cc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)ccc2o1 ZINC000595869214 1075520355 /nfs/dbraw/zinc/52/03/55/1075520355.db2.gz FHJZRQQNPQCIFZ-UHFFFAOYSA-N 0 2 422.528 3.621 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000596905548 1075598300 /nfs/dbraw/zinc/59/83/00/1075598300.db2.gz PGHWFGCZRBUXQX-UHFFFAOYSA-N 0 2 411.487 3.754 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCCC[C@H]1C ZINC000301314418 970862291 /nfs/dbraw/zinc/86/22/91/970862291.db2.gz KAQZTURMBFGZRN-CQSZACIVSA-N 0 2 405.476 3.783 20 0 HHADLN C[C@H](CC(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1ccccc1F ZINC000524270480 1013082917 /nfs/dbraw/zinc/08/29/17/1013082917.db2.gz NHDPOQVFZKVERS-GFCCVEGCSA-N 0 2 420.491 3.610 20 0 HHADLN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000303081482 971493035 /nfs/dbraw/zinc/49/30/35/971493035.db2.gz DJBYWVQYCNSQEH-UHFFFAOYSA-N 0 2 401.879 3.522 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccc(F)c2ncccc12 ZINC000303318921 971626567 /nfs/dbraw/zinc/62/65/67/971626567.db2.gz SWLQFYJSPPLHRV-AWEZNQCLSA-N 0 2 420.437 3.872 20 0 HHADLN CCN(CC(C)C)C(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000303359510 971657636 /nfs/dbraw/zinc/65/76/36/971657636.db2.gz HHMWZEXPAATGSE-UHFFFAOYSA-N 0 2 408.495 3.753 20 0 HHADLN CC(C)[N@@H+]1CCc2nc([N-]S(=O)(=O)c3ccc(Br)s3)sc2C1 ZINC000542219533 1013170041 /nfs/dbraw/zinc/17/00/41/1013170041.db2.gz BSFPJMUZVUCJRQ-UHFFFAOYSA-N 0 2 422.395 3.534 20 0 HHADLN CC(C)[N@H+]1CCc2nc([N-]S(=O)(=O)c3ccc(Br)s3)sc2C1 ZINC000542219533 1013170050 /nfs/dbraw/zinc/17/00/50/1013170050.db2.gz BSFPJMUZVUCJRQ-UHFFFAOYSA-N 0 2 422.395 3.534 20 0 HHADLN Cc1ccc(Br)cc1S(=O)(=O)Nc1cnc(-c2cccc(O)c2)nc1 ZINC000524345237 1013174111 /nfs/dbraw/zinc/17/41/11/1013174111.db2.gz AMZOGIPBOGQKBK-UHFFFAOYSA-N 0 2 420.288 3.721 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1cc(F)c(F)c(F)c1 ZINC000303874378 972416266 /nfs/dbraw/zinc/41/62/66/972416266.db2.gz IPCJXNTYOHJSTN-NSHDSACASA-N 0 2 405.369 3.602 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccccc2COC)cnn1-c1cccc(F)c1 ZINC000542234750 1013190629 /nfs/dbraw/zinc/19/06/29/1013190629.db2.gz RMCWKORBYDNHLS-UHFFFAOYSA-N 0 2 403.479 3.911 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000542236502 1013194073 /nfs/dbraw/zinc/19/40/73/1013194073.db2.gz HWMPZRJCJKRUPT-UHFFFAOYSA-N 0 2 424.954 3.502 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc(NC(=S)NC2CC2)ccc1Cl ZINC000006331996 960885984 /nfs/dbraw/zinc/88/59/84/960885984.db2.gz ZXUZVAWMHCNMES-UHFFFAOYSA-N 0 2 411.936 3.598 20 0 HHADLN CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)c(F)c3)n2)cc1 ZINC000007408981 961166805 /nfs/dbraw/zinc/16/68/05/961166805.db2.gz CIJILABDVXQURB-UHFFFAOYSA-N 0 2 409.439 3.848 20 0 HHADLN Cc1csc(C(C#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)n1 ZINC000007826623 961338679 /nfs/dbraw/zinc/33/86/79/961338679.db2.gz FODONSCLERBUAV-ZDUSSCGKSA-N 0 2 403.920 3.869 20 0 HHADLN Cc1ccc(NC(=O)COC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)cc1 ZINC000009739968 961677758 /nfs/dbraw/zinc/67/77/58/961677758.db2.gz XSCWEDNAPLITML-UHFFFAOYSA-N 0 2 419.359 3.701 20 0 HHADLN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(-c3ccccc3Cl)o2)C1=O ZINC000010802496 961916694 /nfs/dbraw/zinc/91/66/94/961916694.db2.gz VWTGUMIFAVONDC-OAQYLSRUSA-N 0 2 409.829 3.712 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3ccc(NC(C)=O)c(Cl)c3)cc2[nH]c1=S ZINC000012737858 962321658 /nfs/dbraw/zinc/32/16/58/962321658.db2.gz YLCJSYOZTLDKHP-UHFFFAOYSA-N 0 2 416.890 3.569 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000014372433 962490383 /nfs/dbraw/zinc/49/03/83/962490383.db2.gz DSJUHYIIHHEFSM-UHFFFAOYSA-N 0 2 405.479 3.836 20 0 HHADLN Cc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000014867747 962594424 /nfs/dbraw/zinc/59/44/24/962594424.db2.gz ZRTMTYUWGQBROM-UHFFFAOYSA-N 0 2 400.330 3.568 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2nccs2)ccc1Cl ZINC000016641369 963078927 /nfs/dbraw/zinc/07/89/27/963078927.db2.gz AHYGVZCFYJZLJH-UHFFFAOYSA-N 0 2 423.903 3.858 20 0 HHADLN COc1ccc(-c2nc(C(=O)Nn3cnc4sc(C)c(C)c4c3=O)cs2)cc1 ZINC000017161274 963165037 /nfs/dbraw/zinc/16/50/37/963165037.db2.gz GOVSXJOZNAUDGM-UHFFFAOYSA-N 0 2 412.496 3.591 20 0 HHADLN Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccccc2SCC(N)=O)c1Cl ZINC000017320174 963187037 /nfs/dbraw/zinc/18/70/37/963187037.db2.gz BKOQOUOTAXGXOA-UHFFFAOYSA-N 0 2 419.355 3.988 20 0 HHADLN CC(C)C/N=C1\NC(=O)C(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S1 ZINC000021883903 963554206 /nfs/dbraw/zinc/55/42/06/963554206.db2.gz IZAKCVLHCCEWAT-GFCCVEGCSA-N 0 2 407.845 3.931 20 0 HHADLN CCc1ccc(C(=O)COC(=O)CSc2[nH]c(=O)cc(C(F)(F)F)c2C#N)cc1 ZINC000022164514 963601146 /nfs/dbraw/zinc/60/11/46/963601146.db2.gz UAVDDDDGWQKKHJ-UHFFFAOYSA-N 0 2 424.400 3.758 20 0 HHADLN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1c[nH]nc1-c1ccccn1 ZINC000537874329 1013450185 /nfs/dbraw/zinc/45/01/85/1013450185.db2.gz ADCBMLSMPPFXOD-UHFFFAOYSA-N 0 2 407.293 3.652 20 0 HHADLN CC1CCN(Cc2csc(NS(=O)(=O)c3ccc4c(c3)CCCO4)n2)CC1 ZINC000537877316 1013454835 /nfs/dbraw/zinc/45/48/35/1013454835.db2.gz ZWHWMJWNHJNYKT-UHFFFAOYSA-N 0 2 407.561 3.501 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1nnc2n1CCCCC2)c1ccc(Cl)nc1 ZINC000024346088 963981755 /nfs/dbraw/zinc/98/17/55/963981755.db2.gz SVMCEWKVUGZJHF-UHFFFAOYSA-N 0 2 403.895 3.521 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)c1cccnc1 ZINC000025132177 964188020 /nfs/dbraw/zinc/18/80/20/964188020.db2.gz BJEHIKBEFZKEAQ-UHFFFAOYSA-N 0 2 405.838 3.927 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cccnc1Sc1ccccc1 ZINC000025325028 964240772 /nfs/dbraw/zinc/24/07/72/964240772.db2.gz KYIHIYAIKZXCNE-UHFFFAOYSA-N 0 2 408.508 3.803 20 0 HHADLN COc1cc(OC)cc(C(=O)NNC(=O)c2cnc(-c3ccccc3Cl)s2)c1 ZINC000050288265 964301768 /nfs/dbraw/zinc/30/17/68/964301768.db2.gz PBAOFCSFHHUNNW-UHFFFAOYSA-N 0 2 417.874 3.556 20 0 HHADLN CC(C)(C)S(=O)(=O)Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000052023593 964783200 /nfs/dbraw/zinc/78/32/00/964783200.db2.gz VDDFRNOZLQQGGR-UHFFFAOYSA-N 0 2 419.927 3.993 20 0 HHADLN N#Cc1c(SCC(=O)OCCOc2ccccc2F)[nH]c(=O)cc1C(F)(F)F ZINC000028307528 965072348 /nfs/dbraw/zinc/07/23/48/965072348.db2.gz VMYMWUGJPICKNX-UHFFFAOYSA-N 0 2 416.352 3.531 20 0 HHADLN COc1ccc(-c2nc(SCCOc3cccc(C#N)c3)[nH]c(=O)c2C#N)cc1 ZINC000053661202 965241257 /nfs/dbraw/zinc/24/12/57/965241257.db2.gz CQXQVOQJXCSZBE-UHFFFAOYSA-N 0 2 404.451 3.772 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N(C)[C@@H](C)c3ccc(OC)cc3)cc2[nH]c1=S ZINC000029098146 965264147 /nfs/dbraw/zinc/26/41/47/965264147.db2.gz BOEPYZGNJYIQLP-AWEZNQCLSA-N 0 2 409.511 3.713 20 0 HHADLN Cn1ccnc1SCc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2)o1 ZINC000057096741 965281296 /nfs/dbraw/zinc/28/12/96/965281296.db2.gz SNWHTSPTLKWAHE-UHFFFAOYSA-N 0 2 406.467 3.533 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CC(=O)N[C@H]4CCCC[C@H]4C)nc(=O)c3s2)cc1 ZINC000053852601 965292970 /nfs/dbraw/zinc/29/29/70/965292970.db2.gz MTEKZVUADFGSBV-CJNGLKHVSA-N 0 2 411.527 3.898 20 0 HHADLN Cc1c(NC(=O)c2ccc3[nH]nnc3c2)cccc1C(=O)N1CCc2sccc2C1 ZINC000029826634 965514191 /nfs/dbraw/zinc/51/41/91/965514191.db2.gz ITFVGLQRIJZHDB-UHFFFAOYSA-N 0 2 417.494 3.779 20 0 HHADLN COc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c(C)c3)n2)cc1OC ZINC000057719726 965530266 /nfs/dbraw/zinc/53/02/66/965530266.db2.gz BWUQEQGIGOWRJC-UHFFFAOYSA-N 0 2 404.513 3.667 20 0 HHADLN CCOc1ccc(-c2nc(NS(=O)(=O)c3cccc(C(C)=O)c3)sc2C)cc1 ZINC000057721134 965531393 /nfs/dbraw/zinc/53/13/93/965531393.db2.gz PPSPFJXXEQRNOB-UHFFFAOYSA-N 0 2 416.524 3.943 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000054675767 965605716 /nfs/dbraw/zinc/60/57/16/965605716.db2.gz QPQLGVWROWLTRI-UHFFFAOYSA-N 0 2 404.904 3.967 20 0 HHADLN COC(=O)c1ccc(CSc2nc(-c3ccc(OC)cc3)c(C#N)c(=O)[nH]2)cc1 ZINC000054749251 965630280 /nfs/dbraw/zinc/63/02/80/965630280.db2.gz MJTHVBYKSSQGDA-UHFFFAOYSA-N 0 2 407.451 3.808 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)[C@H]1CCCO1 ZINC000030531825 965719801 /nfs/dbraw/zinc/71/98/01/965719801.db2.gz ZUAAYMFTPODBRP-OAHLLOKOSA-N 0 2 415.298 3.912 20 0 HHADLN CC(C)COc1ccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1Cl ZINC000030532129 965719904 /nfs/dbraw/zinc/71/99/04/965719904.db2.gz KLNOVSIHDWNLJW-UHFFFAOYSA-N 0 2 417.936 3.579 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc2ccccc2c1 ZINC000058702222 965852051 /nfs/dbraw/zinc/85/20/51/965852051.db2.gz PUDLPEAMVPKBJR-UHFFFAOYSA-N 0 2 410.476 3.915 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC(OCCC(C)C)CC3)s[nH]2)c1 ZINC000542685486 1013605815 /nfs/dbraw/zinc/60/58/15/1013605815.db2.gz IIHIEJRYBDKPKQ-UHFFFAOYSA-N 0 2 404.536 3.695 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(Cc3ccco3)Cc3cccnc3)s[nH]2)c1 ZINC000542688401 1013608250 /nfs/dbraw/zinc/60/82/50/1013608250.db2.gz GENNOLRASYMRJU-UHFFFAOYSA-N 0 2 421.482 3.858 20 0 HHADLN COc1ccc(C2(C(=O)NNC(=O)c3cc(-c4ccccc4)on3)CCCC2)cc1 ZINC000058789542 965900826 /nfs/dbraw/zinc/90/08/26/965900826.db2.gz AVCZPGSFTUBMSA-UHFFFAOYSA-N 0 2 405.454 3.623 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cc(Br)ccc2C)cc1OC ZINC000055630224 965973935 /nfs/dbraw/zinc/97/39/35/965973935.db2.gz ILARGFHKBZOTSC-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N[C@@H](CC)c3ccccc3OC)cc2[nH]c1=S ZINC000031617615 966068472 /nfs/dbraw/zinc/06/84/72/966068472.db2.gz UTUDGERBLXEREA-KRWDZBQOSA-N 0 2 409.511 3.761 20 0 HHADLN Cc1nc(-c2ccccc2)c(NS(=O)(=O)c2ccccc2Cn2cncn2)s1 ZINC000542710813 1013623758 /nfs/dbraw/zinc/62/37/58/1013623758.db2.gz KFSRJEITPVKUAV-UHFFFAOYSA-N 0 2 411.512 3.559 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000542727108 1013639189 /nfs/dbraw/zinc/63/91/89/1013639189.db2.gz DVSGBJXLGNODHX-AWEZNQCLSA-N 0 2 401.879 3.580 20 0 HHADLN CC1CCN(Cc2csc(NC(=O)c3ccc4c(=O)[nH]c(=S)[nH]c4c3)n2)CC1 ZINC000060613996 966230543 /nfs/dbraw/zinc/23/05/43/966230543.db2.gz WMIVXIHWPAOSEE-UHFFFAOYSA-N 0 2 415.544 3.939 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc([C@@H](C#N)c2ccccc2)cc1 ZINC000032631439 966298211 /nfs/dbraw/zinc/29/82/11/966298211.db2.gz KTFKOTVMTWKMOB-KRWDZBQOSA-N 0 2 412.492 3.991 20 0 HHADLN Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2csc(Cc3ccccc3)n2)c1C ZINC000032674314 966307106 /nfs/dbraw/zinc/30/71/06/966307106.db2.gz XVGSPNRYSIWXCP-MRXNPFEDSA-N 0 2 409.511 3.579 20 0 HHADLN COc1cccc2c1CCN(C(=O)N=c1nc(-c3ccccc3Cl)[nH]s1)C2 ZINC000542729642 1013641747 /nfs/dbraw/zinc/64/17/47/1013641747.db2.gz PPZKPDQJGOXMGN-UHFFFAOYSA-N 0 2 400.891 3.879 20 0 HHADLN C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000033225370 966397089 /nfs/dbraw/zinc/39/70/89/966397089.db2.gz JFDMLKISKYNZKO-MRXNPFEDSA-N 0 2 420.465 3.576 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)NCCc3ccc4ccccc4c3)cc2[nH]c1=S ZINC000041340254 966550843 /nfs/dbraw/zinc/55/08/43/966550843.db2.gz VGPHRZNENUWJNA-UHFFFAOYSA-N 0 2 415.518 3.997 20 0 HHADLN Cc1ccc(-c2csc(C(C#N)C(=O)Cc3nn(C)c(=O)c4ccccc34)n2)cc1 ZINC000041513209 966583599 /nfs/dbraw/zinc/58/35/99/966583599.db2.gz FRSJFJUVKPLEFP-SFHVURJKSA-N 0 2 414.490 3.784 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(C(C)=O)cc2)nc1C1CCCC1 ZINC000542755084 1013661851 /nfs/dbraw/zinc/66/18/51/1013661851.db2.gz NOQIZAPCOANLFI-UHFFFAOYSA-N 0 2 408.501 3.591 20 0 HHADLN CCC(=O)c1cccc(S(=O)(=O)Nc2nc(C3CCCC3)c(C(=O)OC)s2)c1 ZINC000542755420 1013662774 /nfs/dbraw/zinc/66/27/74/1013662774.db2.gz ITPWBMGFKWEKJU-UHFFFAOYSA-N 0 2 422.528 3.981 20 0 HHADLN N#CC(C(=O)COc1ccc2c(c1)CCC(=O)N2)c1nc2ccccc2n1C(F)F ZINC000041557142 966594745 /nfs/dbraw/zinc/59/47/45/966594745.db2.gz BNLHKAKAENKRCN-CQSZACIVSA-N 0 2 410.380 3.571 20 0 HHADLN CSc1[nH]c(=O)c(C(=O)Nc2cccc(NC(=O)OCC(C)C)c2)cc1C#N ZINC000063108437 966754010 /nfs/dbraw/zinc/75/40/10/966754010.db2.gz WSHGZFDGKGTONE-UHFFFAOYSA-N 0 2 400.460 3.838 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2nc3ccc(OC)cc3s2)cc1 ZINC000063442164 966858931 /nfs/dbraw/zinc/85/89/31/966858931.db2.gz PTJAPVKLOJWYQC-UHFFFAOYSA-N 0 2 408.501 3.521 20 0 HHADLN O=C(Nc1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1cncc(F)c1 ZINC000063476293 966871565 /nfs/dbraw/zinc/87/15/65/966871565.db2.gz PHASUDLTTJMIOK-UHFFFAOYSA-N 0 2 405.838 3.927 20 0 HHADLN CCCCNC(=O)Cc1nc(=O)c2sc(-c3cccc(Br)c3)cc2[nH]1 ZINC000063581033 966894447 /nfs/dbraw/zinc/89/44/47/966894447.db2.gz JLFWRKSMQFEDAE-UHFFFAOYSA-N 0 2 420.332 3.873 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000063878387 966985167 /nfs/dbraw/zinc/98/51/67/966985167.db2.gz MZQNWSOICRWJAH-UHFFFAOYSA-N 0 2 416.480 3.588 20 0 HHADLN O=S(=O)(Nc1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 ZINC000064478102 967204084 /nfs/dbraw/zinc/20/40/84/967204084.db2.gz XYJXDVIYIVFUNV-UHFFFAOYSA-N 0 2 424.450 3.566 20 0 HHADLN O=C(NCCCOC1CCCCC1)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000045148530 967363343 /nfs/dbraw/zinc/36/33/43/967363343.db2.gz CDQCLPBEKRNQJE-UHFFFAOYSA-N 0 2 415.490 3.542 20 0 HHADLN O=C(Nc1ccc2c(c1)CCC(=O)N2)c1[nH]nc(-c2ccccc2)c1Br ZINC000065107042 967379479 /nfs/dbraw/zinc/37/94/79/967379479.db2.gz QXISDDZFDAZYJK-UHFFFAOYSA-N 0 2 411.259 3.976 20 0 HHADLN COc1c(C)c[nH+]c(CNC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])c1C ZINC000065321641 967435391 /nfs/dbraw/zinc/43/53/91/967435391.db2.gz GIMQKAUSGXRSJX-UHFFFAOYSA-N 0 2 420.391 3.547 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ncc(C2CCCCC2)s1 ZINC000542933838 1013768446 /nfs/dbraw/zinc/76/84/46/1013768446.db2.gz ZVOGOAGMPHLZHY-UHFFFAOYSA-N 0 2 409.533 3.959 20 0 HHADLN CC(C)c1nc(-c2ccccc2NS(=O)(=O)c2ccc(C(F)(F)F)nc2)n[nH]1 ZINC000542937223 1013770678 /nfs/dbraw/zinc/77/06/78/1013770678.db2.gz VGYRZWAPNZQXKW-UHFFFAOYSA-N 0 2 411.409 3.810 20 0 HHADLN COc1ccc2c(C)c(CC/C(O)=N/S(=O)(=O)c3ccccc3C)c(=O)oc2c1 ZINC000048425277 968550304 /nfs/dbraw/zinc/55/03/04/968550304.db2.gz RRIHCRZHHLKTTQ-UHFFFAOYSA-N 0 2 415.467 3.696 20 0 HHADLN O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1c(O)cc(F)cc1F ZINC000066048195 968781651 /nfs/dbraw/zinc/78/16/51/968781651.db2.gz DJOIPIMOASUUOZ-UHFFFAOYSA-N 0 2 400.356 3.992 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000069119258 968815976 /nfs/dbraw/zinc/81/59/76/968815976.db2.gz WREBPPKDOYMABI-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN O=S(=O)(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccccc1Br ZINC000072035766 968948087 /nfs/dbraw/zinc/94/80/87/968948087.db2.gz MWDPDOCRSSFEPA-OAHLLOKOSA-N 0 2 422.304 3.978 20 0 HHADLN COc1ccc(-c2n[nH]c(NC(=O)c3occc3COc3ccccc3)n2)c(OC)c1 ZINC000109852740 969577457 /nfs/dbraw/zinc/57/74/57/969577457.db2.gz ODYRYBDGHGVNCW-UHFFFAOYSA-N 0 2 420.425 3.913 20 0 HHADLN CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000110212125 969638161 /nfs/dbraw/zinc/63/81/61/969638161.db2.gz BMVYCHPWCKCPQY-UHFFFAOYSA-N 0 2 418.302 3.798 20 0 HHADLN CCCCOc1cccc(CNC(=O)c2ccc3c(c2)[nH]c(=S)n(CC)c3=O)c1 ZINC000113189030 969825960 /nfs/dbraw/zinc/82/59/60/969825960.db2.gz NVBUKULENXQMFM-UHFFFAOYSA-N 0 2 411.527 3.814 20 0 HHADLN Cc1ccc(-c2ncc(C(=O)NN3C(=O)N[C@](C)(c4ccccc4)C3=O)s2)c(C)c1 ZINC000116196727 969879821 /nfs/dbraw/zinc/87/98/21/969879821.db2.gz NGOMWQDLWJAVKX-JOCHJYFZSA-N 0 2 420.494 3.539 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)NC[C@@H]3CCCC[C@@H]3C)cc2[nH]c1=S ZINC000195667008 969943406 /nfs/dbraw/zinc/94/34/06/969943406.db2.gz KLGFPBGKTNZKLP-HOCLYGCPSA-N 0 2 403.548 3.652 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N3C[C@@H](c4ccccc4)O[C@@H](C)C3)cc2[nH]c1=S ZINC000139801685 970046998 /nfs/dbraw/zinc/04/69/98/970046998.db2.gz AFBXNLHTURYYBO-LIRRHRJNSA-N 0 2 409.511 3.681 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000219883156 970094703 /nfs/dbraw/zinc/09/47/03/970094703.db2.gz NVKOKRMBGSMWHQ-INIZCTEOSA-N 0 2 402.907 3.931 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccccc2Br)cnc1Br ZINC000228524373 970125192 /nfs/dbraw/zinc/12/51/92/970125192.db2.gz BTAFTTXUNJXQNV-UHFFFAOYSA-N 0 2 406.099 3.716 20 0 HHADLN O=S(=O)(Nc1ccc(I)cn1)c1cccc2ccccc21 ZINC000168720113 970465097 /nfs/dbraw/zinc/46/50/97/970465097.db2.gz VEQHGSIHNPXMFR-UHFFFAOYSA-N 0 2 410.236 3.640 20 0 HHADLN Cn1ncc(NS(=O)(=O)c2ccc(Br)c(F)c2)c1-c1ccccc1 ZINC000554687751 1014013590 /nfs/dbraw/zinc/01/35/90/1014013590.db2.gz SFGYYEZJXRXEEX-UHFFFAOYSA-N 0 2 410.268 3.790 20 0 HHADLN O=S(=O)(Nc1ccc(F)c(Br)c1)c1c(Cl)nc2ccccn21 ZINC000317391494 972656192 /nfs/dbraw/zinc/65/61/92/972656192.db2.gz AWXHNXXFQKRSMS-UHFFFAOYSA-N 0 2 404.648 3.690 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(F)cc2Br)cc1C ZINC000320032353 972674692 /nfs/dbraw/zinc/67/46/92/972674692.db2.gz PUVUTTBYZHRLIG-UHFFFAOYSA-N 0 2 422.297 3.936 20 0 HHADLN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc2cc(Br)ccc2c1 ZINC000320117908 972676652 /nfs/dbraw/zinc/67/66/52/972676652.db2.gz ASXHGQOQRRIOHD-UHFFFAOYSA-N 0 2 400.685 3.790 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2ccc(Br)cc2F)ccc1Cl ZINC000322516495 972700637 /nfs/dbraw/zinc/70/06/37/972700637.db2.gz RGYXHDJCRPNHLF-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN Cc1cc(F)c(Br)cc1NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000322929904 972706024 /nfs/dbraw/zinc/70/60/24/972706024.db2.gz YYTCJHYKYPYQHC-UHFFFAOYSA-N 0 2 418.675 3.999 20 0 HHADLN O=S(=O)(Nc1ccc(-c2cnco2)cc1)c1cc(Br)cnc1Cl ZINC000390393088 972822743 /nfs/dbraw/zinc/82/27/43/972822743.db2.gz GTWDTYFUICDDMG-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN Cc1ccccc1S(=O)(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000409455450 972899372 /nfs/dbraw/zinc/89/93/72/972899372.db2.gz HHFXBOBBEPJESN-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN O=S(=O)(Nc1nc(Cc2ccccc2)cs1)c1cc2c(cc1Cl)OCCO2 ZINC000409489688 972940886 /nfs/dbraw/zinc/94/08/86/972940886.db2.gz AZGNUTBXTAYIIG-UHFFFAOYSA-N 0 2 422.915 3.959 20 0 HHADLN COC(=O)c1csc(S(=O)(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)c1 ZINC000409537500 972993156 /nfs/dbraw/zinc/99/31/56/972993156.db2.gz MYGPPZGVJDQCMP-UHFFFAOYSA-N 0 2 422.553 4.000 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c(C)c1 ZINC000409537944 972994348 /nfs/dbraw/zinc/99/43/48/972994348.db2.gz VKHXUHRMWHQCTQ-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN CNC(=O)c1ccc(S(=O)(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)cc1 ZINC000409538499 972995244 /nfs/dbraw/zinc/99/52/44/972995244.db2.gz WJOXITCUXGZDJW-UHFFFAOYSA-N 0 2 415.540 3.511 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)cc1 ZINC000409582619 973032350 /nfs/dbraw/zinc/03/23/50/973032350.db2.gz RFILZCVSOAUBBC-UHFFFAOYSA-N 0 2 407.536 3.913 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2ncc(Cc3cccc(C(=O)OC)c3)s2)s1 ZINC000409668420 973127931 /nfs/dbraw/zinc/12/79/31/973127931.db2.gz ZDRPPVMWOJKSHO-UHFFFAOYSA-N 0 2 422.553 3.945 20 0 HHADLN CC(C)[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000409925095 973386647 /nfs/dbraw/zinc/38/66/47/973386647.db2.gz WDXOMYGHIOVYIW-CYBMUJFWSA-N 0 2 412.321 3.904 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000410331631 973906632 /nfs/dbraw/zinc/90/66/32/973906632.db2.gz BTMMUOQBHKFUBQ-UHFFFAOYSA-N 0 2 406.479 3.792 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cccc(-c3nc(C)cs3)c2)nc1C ZINC000410337319 973919097 /nfs/dbraw/zinc/91/90/97/973919097.db2.gz NIBOLYQFHYJVBK-UHFFFAOYSA-N 0 2 423.541 3.861 20 0 HHADLN CCc1c(NS(=O)(=O)C[C@@H](C)c2ccccc2)nnn1Cc1ccc(F)cc1 ZINC000410342172 973926772 /nfs/dbraw/zinc/92/67/72/973926772.db2.gz ZXZOUOSSBVISMT-OAHLLOKOSA-N 0 2 402.495 3.573 20 0 HHADLN CCOc1cc(NS(=O)(=O)c2cccc(Br)c2F)ccc1OC ZINC000410367084 973960503 /nfs/dbraw/zinc/96/05/03/973960503.db2.gz JDWOUKIATPVQEF-UHFFFAOYSA-N 0 2 404.257 3.796 20 0 HHADLN CCc1nn(C)cc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000410411245 974009691 /nfs/dbraw/zinc/00/96/91/974009691.db2.gz MKEHIIDBRDMMJG-UHFFFAOYSA-N 0 2 401.332 3.821 20 0 HHADLN CCc1nn(C)cc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000410414166 974012231 /nfs/dbraw/zinc/01/22/31/974012231.db2.gz OLMYSTLPAXZGHT-UHFFFAOYSA-N 0 2 412.231 3.565 20 0 HHADLN CCc1nn(C)cc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000410414017 974012400 /nfs/dbraw/zinc/01/24/00/974012400.db2.gz NTAWRILJTCZKFV-UHFFFAOYSA-N 0 2 412.231 3.565 20 0 HHADLN Cc1ccc(-c2ccnn2C)cc1NS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000410416694 974015282 /nfs/dbraw/zinc/01/52/82/974015282.db2.gz HQJYFSXJUGCXFG-UHFFFAOYSA-N 0 2 405.483 3.653 20 0 HHADLN COCCCOc1ccc(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1 ZINC000426214708 974317612 /nfs/dbraw/zinc/31/76/12/974317612.db2.gz JGUHSUDDYGRMKF-UHFFFAOYSA-N 0 2 403.891 3.948 20 0 HHADLN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)NCc3nnc(COc4ccccc4)[nH]3)C2)cc1 ZINC000426236696 974333387 /nfs/dbraw/zinc/33/33/87/974333387.db2.gz IDJFAHZSQXAAAN-IEBWSBKVSA-N 0 2 405.502 3.780 20 0 HHADLN COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C(=O)[O-])c1c(Cl)cccc1Cl ZINC000426752968 974636614 /nfs/dbraw/zinc/63/66/14/974636614.db2.gz BPQHPHQATVUSTC-QGZVFWFLSA-N 0 2 400.258 3.935 20 0 HHADLN O=C([O-])[C@@H]([NH2+]Cc1ncc(Br)cc1Br)c1cccc(F)c1 ZINC000426813479 974679143 /nfs/dbraw/zinc/67/91/43/974679143.db2.gz XOEZHLHSUXCKNF-ZDUSSCGKSA-N 0 2 418.060 3.661 20 0 HHADLN C[C@H](c1ccc(Br)cc1)S(=O)(=O)c1n[nH]c(-c2ccccc2F)n1 ZINC000427056854 974863782 /nfs/dbraw/zinc/86/37/82/974863782.db2.gz KPSIWQNWIPHIIK-SNVBAGLBSA-N 0 2 410.268 3.908 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc3[nH]c(-c4ccccc4Cl)nc3c2)cnn1C ZINC000427129656 974927283 /nfs/dbraw/zinc/92/72/83/974927283.db2.gz ZINRHGHTIIPTRI-UHFFFAOYSA-N 0 2 401.879 3.726 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)cnn1C ZINC000427202256 974974838 /nfs/dbraw/zinc/97/48/38/974974838.db2.gz FIQOZMMHOSXMBO-UHFFFAOYSA-N 0 2 402.476 3.945 20 0 HHADLN CC(C)CC[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000427204497 974977229 /nfs/dbraw/zinc/97/72/29/974977229.db2.gz KQSWWCNIDLCCJS-INIZCTEOSA-N 0 2 407.561 3.985 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NCC2(c3ccccc3Br)CC2)cn1 ZINC000427455226 975127295 /nfs/dbraw/zinc/12/72/95/975127295.db2.gz ICFDWCCKFBUAPM-UHFFFAOYSA-N 0 2 414.307 3.517 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NCCCc2ccc(Br)cc2F)cn1 ZINC000427461206 975131187 /nfs/dbraw/zinc/13/11/87/975131187.db2.gz ZUUZJEXHJOBUKI-UHFFFAOYSA-N 0 2 420.286 3.557 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(-c2ccncc2)c(C)c1 ZINC000427623652 975213884 /nfs/dbraw/zinc/21/38/84/975213884.db2.gz OLEWXOWICLDEAA-UHFFFAOYSA-N 0 2 400.456 3.800 20 0 HHADLN CCOC(=O)c1csc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)n1 ZINC000427659156 975228665 /nfs/dbraw/zinc/22/86/65/975228665.db2.gz GGCXIJXBSRPNMT-UHFFFAOYSA-N 0 2 402.906 3.989 20 0 HHADLN CCOC(=O)c1csc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n1 ZINC000427660098 975228801 /nfs/dbraw/zinc/22/88/01/975228801.db2.gz OUYUEOSTSBYGCH-UHFFFAOYSA-N 0 2 414.814 3.793 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)cnn1C ZINC000427750780 975267570 /nfs/dbraw/zinc/26/75/70/975267570.db2.gz XCIUZGFIPRFIRA-UHFFFAOYSA-N 0 2 416.450 3.595 20 0 HHADLN Cc1nc2ccc(S(=O)(=O)Nc3nc4cc5c(cc4s3)OCCO5)cc2s1 ZINC000427760131 975273201 /nfs/dbraw/zinc/27/32/01/975273201.db2.gz FTQKTWCLELXULL-UHFFFAOYSA-N 0 2 419.509 3.786 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccsc2)o1)c1cccc(OC(F)(F)F)c1F ZINC000427772252 975280220 /nfs/dbraw/zinc/28/02/20/975280220.db2.gz UJZYKXKXMGGJJU-UHFFFAOYSA-N 0 2 423.369 3.560 20 0 HHADLN Cn1nc(C2CCCC2)cc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427772392 975280525 /nfs/dbraw/zinc/28/05/25/975280525.db2.gz DQKPQOGVAALAHJ-UHFFFAOYSA-N 0 2 407.389 3.916 20 0 HHADLN COc1cc(C)cc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1C ZINC000428059141 975410898 /nfs/dbraw/zinc/41/08/98/975410898.db2.gz MFEOJXXFIIULCV-UHFFFAOYSA-N 0 2 417.512 3.822 20 0 HHADLN CC[C@@H](NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)[C@@H](O)C(F)(F)F ZINC000430588077 977646595 /nfs/dbraw/zinc/64/65/95/977646595.db2.gz BUQRUPAPWTVTTJ-VQIMIIECSA-N 0 2 420.387 3.752 20 0 HHADLN CCSc1nnc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)s1 ZINC000431320629 978205934 /nfs/dbraw/zinc/20/59/34/978205934.db2.gz MVSOBPHRLXNJNE-UHFFFAOYSA-N 0 2 415.953 3.598 20 0 HHADLN COCCOc1ccc(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)cc1 ZINC000431323782 978208643 /nfs/dbraw/zinc/20/86/43/978208643.db2.gz PYBYLATUKBHONA-UHFFFAOYSA-N 0 2 419.528 3.648 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)ccc1C ZINC000431323753 978208667 /nfs/dbraw/zinc/20/86/67/978208667.db2.gz POLZOVXKNZPUDS-UHFFFAOYSA-N 0 2 416.528 3.890 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)cc1 ZINC000431326888 978212449 /nfs/dbraw/zinc/21/24/49/978212449.db2.gz OQWNEFFGTKSCAG-UHFFFAOYSA-N 0 2 416.528 3.605 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)c1 ZINC000431329510 978214936 /nfs/dbraw/zinc/21/49/36/978214936.db2.gz BXJWBLNOEZLPHR-UHFFFAOYSA-N 0 2 405.501 3.640 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cnn1-c1ccc(C)cc1 ZINC000431902300 978588060 /nfs/dbraw/zinc/58/80/60/978588060.db2.gz NYNKUNOYCAUSOS-UHFFFAOYSA-N 0 2 411.487 3.516 20 0 HHADLN CCCc1c(NS(=O)(=O)c2c(C)nn(CC)c2C)cnn1-c1ccccc1C ZINC000432052141 978661965 /nfs/dbraw/zinc/66/19/65/978661965.db2.gz JDDKDELVTVGIEV-UHFFFAOYSA-N 0 2 401.536 3.767 20 0 HHADLN COCCn1nc(C)c(NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)c1C ZINC000432199936 978710553 /nfs/dbraw/zinc/71/05/53/978710553.db2.gz CMIYXZRPXKHTHN-UHFFFAOYSA-N 0 2 422.576 3.854 20 0 HHADLN CS(=O)(=O)Nc1ccccc1NS(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000432204796 978712883 /nfs/dbraw/zinc/71/28/83/978712883.db2.gz HVAGFSKFHVPCOW-UHFFFAOYSA-N 0 2 416.933 3.727 20 0 HHADLN Cc1ccc2c(c1)CN(C(=O)Nc1cccc(S(=O)(=O)Nc3nccs3)c1)C2 ZINC000432208080 978714166 /nfs/dbraw/zinc/71/41/66/978714166.db2.gz LYIKPXGJJTXRKV-UHFFFAOYSA-N 0 2 414.512 3.800 20 0 HHADLN CCn1c(=O)oc2cc(S(=O)(=O)Nc3ncc(-c4ccc(F)cc4)s3)ccc21 ZINC000432352607 978772902 /nfs/dbraw/zinc/77/29/02/978772902.db2.gz ZDPDSDVCCJLVKI-UHFFFAOYSA-N 0 2 419.459 3.678 20 0 HHADLN O=c1ccc2cc(S(=O)(=O)Nc3ncc(-c4ccc(F)cc4)s3)ccc2[nH]1 ZINC000432367597 978780626 /nfs/dbraw/zinc/78/06/26/978780626.db2.gz IFYUVSNMMIRHBT-UHFFFAOYSA-N 0 2 401.444 3.592 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)c(OC)c1 ZINC000432368320 978780947 /nfs/dbraw/zinc/78/09/47/978780947.db2.gz LQNKJZQOBDPYJP-UHFFFAOYSA-N 0 2 422.459 3.545 20 0 HHADLN Cc1cccc(CC2(O)CCN(C(=O)N=c3nc(-c4ccsc4)[nH]s3)CC2)c1 ZINC000432421210 978804598 /nfs/dbraw/zinc/80/45/98/978804598.db2.gz OOEOTWUABAEROE-UHFFFAOYSA-N 0 2 414.556 3.598 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000432460408 978823761 /nfs/dbraw/zinc/82/37/61/978823761.db2.gz MKKGCIUIGNHCDA-UHFFFAOYSA-N 0 2 419.484 3.571 20 0 HHADLN Cc1noc(-c2ccc(C(F)(F)F)cc2NS(=O)(=O)c2cncc(Cl)c2)n1 ZINC000432483000 978839839 /nfs/dbraw/zinc/83/98/39/978839839.db2.gz LIAYEUVZSWXFLN-UHFFFAOYSA-N 0 2 418.784 3.913 20 0 HHADLN COc1cc(S(=O)(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)ccc1F ZINC000432531817 978868553 /nfs/dbraw/zinc/86/85/53/978868553.db2.gz ROWZZCMYZCDSSV-OAHLLOKOSA-N 0 2 419.503 3.955 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cccc(OCC(F)(F)F)c3)s[nH]2)c1 ZINC000432683193 978935526 /nfs/dbraw/zinc/93/55/26/978935526.db2.gz XZMJERRVMUKIOD-UHFFFAOYSA-N 0 2 409.389 3.829 20 0 HHADLN Cn1nc(-c2ccc(F)cc2F)cc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000432956949 979023596 /nfs/dbraw/zinc/02/35/96/979023596.db2.gz BPOXRPTUWPIGCB-UHFFFAOYSA-N 0 2 418.347 3.580 20 0 HHADLN Cn1nc([C@H]2CCCO2)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000432969485 979028749 /nfs/dbraw/zinc/02/87/49/979028749.db2.gz FXSUSBUSJNWVHF-CYBMUJFWSA-N 0 2 409.817 3.745 20 0 HHADLN CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3nc(-c4ccncc4)n[nH]3)c12 ZINC000433081381 979062748 /nfs/dbraw/zinc/06/27/48/979062748.db2.gz FVRRUUPDGYCXOO-UHFFFAOYSA-N 0 2 415.413 3.868 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2nc3c(ccc(F)c3C)s2)c1C ZINC000433375733 979262168 /nfs/dbraw/zinc/26/21/68/979262168.db2.gz QBUOGZPIAHSIJC-UHFFFAOYSA-N 0 2 411.480 3.666 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CCSC(C)(C)C2)cc1 ZINC000434369818 980117985 /nfs/dbraw/zinc/11/79/85/980117985.db2.gz MVAXLUXJPLFYQE-UHFFFAOYSA-N 0 2 410.586 3.825 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN4C[C@H](O)Cc5ccccc54)nc(=O)c3s2)cc1 ZINC000434661846 980326424 /nfs/dbraw/zinc/32/64/24/980326424.db2.gz GSFOGGIODXABLI-MRXNPFEDSA-N 0 2 419.506 3.584 20 0 HHADLN CCCc1ccc(-c2cc(NS(=O)(=O)c3ccc4c(c3)N(C(C)=O)CC4)[nH]n2)cc1 ZINC000434968959 980538980 /nfs/dbraw/zinc/53/89/80/980538980.db2.gz WAVAWBLHMNXERJ-UHFFFAOYSA-N 0 2 424.526 3.739 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3C)n[nH]2)cc1Cl ZINC000434975113 980543122 /nfs/dbraw/zinc/54/31/22/980543122.db2.gz YVLKDDBHMZEUII-UHFFFAOYSA-N 0 2 404.879 3.798 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1cc(F)ccc1Br ZINC000434975717 980543918 /nfs/dbraw/zinc/54/39/18/980543918.db2.gz FWMVQUKRGVLRBU-UHFFFAOYSA-N 0 2 420.310 3.969 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)ccc2-n2cc(C)cn2)c(Cl)c1 ZINC000435140111 980671485 /nfs/dbraw/zinc/67/14/85/980671485.db2.gz RLKPEUSRKKRKDT-UHFFFAOYSA-N 0 2 419.890 3.730 20 0 HHADLN CCc1cnc(NS(=O)(=O)c2cc(Cl)c(OC)cc2Br)s1 ZINC000435195718 980712960 /nfs/dbraw/zinc/71/29/60/980712960.db2.gz IAJVDQNPKXLQTI-UHFFFAOYSA-N 0 2 411.730 3.931 20 0 HHADLN CC(C)(C(N)=O)c1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000435473599 980887713 /nfs/dbraw/zinc/88/77/13/980887713.db2.gz JNKMMTOYTOOPOV-UHFFFAOYSA-N 0 2 405.278 3.696 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccccn1)c1c(Cl)cc(F)cc1Cl ZINC000435498634 980904002 /nfs/dbraw/zinc/90/40/02/980904002.db2.gz YQJSWVMJKBKAED-UHFFFAOYSA-N 0 2 401.250 3.573 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cnn1C1CCCC1 ZINC000435730733 981006450 /nfs/dbraw/zinc/00/64/50/981006450.db2.gz ZSOOJUCTNLEUAU-UHFFFAOYSA-N 0 2 410.499 3.851 20 0 HHADLN C[C@@H]1[C@@H](C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)[C@@H]1c1ccccc1 ZINC000435756991 981017857 /nfs/dbraw/zinc/01/78/57/981017857.db2.gz WSYBWDCUQVNLNP-DOPJRALCSA-N 0 2 413.524 3.932 20 0 HHADLN CCN(C(=O)c1c[nH]c2c(cnn2C)c1=O)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000435943665 981106126 /nfs/dbraw/zinc/10/61/26/981106126.db2.gz BECHOCVEQAOWHU-LBPRGKRZSA-N 0 2 406.408 3.786 20 0 HHADLN COc1cc(S(=O)(=O)Nc2ccccc2SC)c(OC)cc1Br ZINC000436006526 981149485 /nfs/dbraw/zinc/14/94/85/981149485.db2.gz UNMLFIPFRJIGFE-UHFFFAOYSA-N 0 2 418.334 3.989 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)c(OC)cc1Br ZINC000436007935 981150219 /nfs/dbraw/zinc/15/02/19/981150219.db2.gz ORNYXUBPOMEUDL-UHFFFAOYSA-N 0 2 408.220 3.545 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1C(=O)N(C)C ZINC000436022803 981162249 /nfs/dbraw/zinc/16/22/49/981162249.db2.gz NLHVQCARJFIJSC-UHFFFAOYSA-N 0 2 404.385 3.656 20 0 HHADLN COC(=O)c1ccccc1-c1ccccc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000436038097 981173511 /nfs/dbraw/zinc/17/35/11/981173511.db2.gz LADCXLCDFIWFBM-UHFFFAOYSA-N 0 2 416.462 3.728 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2scnc2C2CC2)cc1Br ZINC000436150672 981222449 /nfs/dbraw/zinc/22/24/49/981222449.db2.gz CXBHZULBLMCSPO-UHFFFAOYSA-N 0 2 416.322 3.542 20 0 HHADLN COc1cc(OC)c(NS(=O)(=O)c2ccccc2SC)cc1Br ZINC000436165443 981230407 /nfs/dbraw/zinc/23/04/07/981230407.db2.gz NZEZAZTWWVCWJG-UHFFFAOYSA-N 0 2 418.334 3.989 20 0 HHADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000436276850 981281115 /nfs/dbraw/zinc/28/11/15/981281115.db2.gz VNTCHRZXKUCOOR-QPJJXVBHSA-N 0 2 422.916 3.703 20 0 HHADLN O=S(=O)(Nc1ccc(-n2cccn2)c(F)c1)c1cc(C(F)(F)F)ccc1O ZINC000436478598 981393851 /nfs/dbraw/zinc/39/38/51/981393851.db2.gz RCBLITKUMJSGLW-UHFFFAOYSA-N 0 2 401.341 3.537 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)Nc1ccc2c(c1)CCO2 ZINC000436501449 981404769 /nfs/dbraw/zinc/40/47/69/981404769.db2.gz FQXZHKWLXLUTLP-FQEVSTJZSA-N 0 2 420.513 3.866 20 0 HHADLN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cc(F)c(O)c(F)c1 ZINC000436520359 981414346 /nfs/dbraw/zinc/41/43/46/981414346.db2.gz VDHMJJIXSQKYFP-UHFFFAOYSA-N 0 2 417.239 3.756 20 0 HHADLN CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000436521793 981415181 /nfs/dbraw/zinc/41/51/81/981415181.db2.gz HOATWVWNHXIBKG-UHFFFAOYSA-N 0 2 422.428 3.557 20 0 HHADLN CS(=O)(=O)c1cccc([C@H](NC(=O)c2cc(F)c(O)c(F)c2)c2ccccc2)c1 ZINC000436525125 981418299 /nfs/dbraw/zinc/41/82/99/981418299.db2.gz MLLLQLPMPQTOAO-LJQANCHMSA-N 0 2 417.433 3.593 20 0 HHADLN O=C(N[C@@H]1CCCN(C(=O)c2cc(F)c(O)c(F)c2)C1)c1ccc2ccccc2c1 ZINC000436525801 981418450 /nfs/dbraw/zinc/41/84/50/981418450.db2.gz OVPHZTGXILLRJX-GOSISDBHSA-N 0 2 410.420 3.858 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1cc(F)c(O)c(F)c1 ZINC000436530354 981422835 /nfs/dbraw/zinc/42/28/35/981422835.db2.gz ANEOIMASCFVSTB-UHFFFAOYSA-N 0 2 404.394 3.724 20 0 HHADLN CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2cc(F)c(O)c(F)c2)c1 ZINC000436539506 981429755 /nfs/dbraw/zinc/42/97/55/981429755.db2.gz YREOAROITUWLHR-UHFFFAOYSA-N 0 2 412.458 3.570 20 0 HHADLN O=C(NCc1cccc(N2CCOCC2)n1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436563987 981446946 /nfs/dbraw/zinc/44/69/46/981446946.db2.gz IOEFZSPJKGXPBT-UHFFFAOYSA-N 0 2 423.900 3.874 20 0 HHADLN CCn1c(CNC(=O)c2cc(F)c(O)c(F)c2)nc2cc(Br)ccc21 ZINC000436612390 981474114 /nfs/dbraw/zinc/47/41/14/981474114.db2.gz XQENAMQJZSMHTI-UHFFFAOYSA-N 0 2 410.218 3.733 20 0 HHADLN COc1ccc2c(c1)C1(CC1)CN(C(=O)c1cc(F)cc(Br)c1O)C2 ZINC000436616076 981475949 /nfs/dbraw/zinc/47/59/49/981475949.db2.gz IDAXSXJQGQJXJO-UHFFFAOYSA-N 0 2 406.251 3.990 20 0 HHADLN CC(=O)Nc1ccc(CCNC(=O)c2cc(Cl)cc(Br)c2O)cc1 ZINC000436632200 981484382 /nfs/dbraw/zinc/48/43/82/981484382.db2.gz CCJCIABUXPBKTH-UHFFFAOYSA-N 0 2 411.683 3.739 20 0 HHADLN Cc1c(NC(=O)c2cc(F)cc(Br)c2O)nnn1Cc1ccccc1F ZINC000436735575 981538314 /nfs/dbraw/zinc/53/83/14/981538314.db2.gz DGSLKUMPPLFPJM-UHFFFAOYSA-N 0 2 423.217 3.633 20 0 HHADLN O=C(NCc1ccnc(N2CCOCC2)c1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436759915 981549698 /nfs/dbraw/zinc/54/96/98/981549698.db2.gz IHDLCHCVMZCNID-UHFFFAOYSA-N 0 2 423.900 3.874 20 0 HHADLN CCCN(CC(C)C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O ZINC000436760104 981549898 /nfs/dbraw/zinc/54/98/98/981549898.db2.gz MCXGMGXFRCNVPY-UHFFFAOYSA-N 0 2 420.531 3.710 20 0 HHADLN COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1O ZINC000436769753 981554615 /nfs/dbraw/zinc/55/46/15/981554615.db2.gz KPQGOUKDQWQUHO-UHFFFAOYSA-N 0 2 408.234 3.734 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000436776285 981556500 /nfs/dbraw/zinc/55/65/00/981556500.db2.gz ILBIRJQBTUVXCX-UHFFFAOYSA-N 0 2 412.852 3.604 20 0 HHADLN Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc(F)cc(Br)c1O ZINC000436844760 981586706 /nfs/dbraw/zinc/58/67/06/981586706.db2.gz ANDSFSYPGONEKR-UHFFFAOYSA-N 0 2 409.255 3.621 20 0 HHADLN C[C@H](NC(=O)c1cc(F)cc(Br)c1O)c1ccc2c(c1)CCC(=O)N2 ZINC000436847095 981587843 /nfs/dbraw/zinc/58/78/43/981587843.db2.gz JLTWRJDCILDYOH-VIFPVBQESA-N 0 2 407.239 3.670 20 0 HHADLN COc1cc(NC(=O)c2cc(F)cc(Br)c2O)ccc1N1CCCC1=O ZINC000436848968 981588931 /nfs/dbraw/zinc/58/89/31/981588931.db2.gz QJGWZVLVZBDHLO-UHFFFAOYSA-N 0 2 423.238 3.682 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CC[C@H](n2ncc3ccccc32)C1 ZINC000436856403 981594123 /nfs/dbraw/zinc/59/41/23/981594123.db2.gz XSTLKXNQSXCNGA-ZDUSSCGKSA-N 0 2 404.239 3.731 20 0 HHADLN C[C@H](c1cccc(NC(=O)c2cc(F)cc(Br)c2[O-])c1)[NH+]1CCOCC1 ZINC000436857363 981594811 /nfs/dbraw/zinc/59/48/11/981594811.db2.gz KHWBCUZGOBQKTO-GFCCVEGCSA-N 0 2 423.282 3.939 20 0 HHADLN COc1cc(-c2noc(-c3ccc(-c4nnc[nH]4)cc3)n2)cc(Br)c1O ZINC000436876494 981599021 /nfs/dbraw/zinc/59/90/21/981599021.db2.gz ZPKJGBLROHCUNU-UHFFFAOYSA-N 0 2 414.219 3.665 20 0 HHADLN O=C(NC1(c2cccc(F)c2)CCOCC1)c1cc(F)cc(Br)c1O ZINC000436885651 981601370 /nfs/dbraw/zinc/60/13/70/981601370.db2.gz IHDBCXRXHRQJGI-UHFFFAOYSA-N 0 2 412.230 3.869 20 0 HHADLN CN(C(=O)c1cc(F)cc(Br)c1O)[C@H]1CCCN(c2ccccc2)C1=O ZINC000436886008 981601412 /nfs/dbraw/zinc/60/14/12/981601412.db2.gz IZQPXRCWXXRQNR-INIZCTEOSA-N 0 2 421.266 3.561 20 0 HHADLN Cc1ccc(-c2noc(-c3cc(S(=O)(=O)NCc4ccccc4)ccc3O)n2)cc1 ZINC000436889305 981602673 /nfs/dbraw/zinc/60/26/73/981602673.db2.gz WDUHPAZGEKTTGM-UHFFFAOYSA-N 0 2 421.478 3.896 20 0 HHADLN CCN1CC[C@H](NC(=O)c2cc(F)c(O)c(F)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000436970489 981656080 /nfs/dbraw/zinc/65/60/80/981656080.db2.gz LZEMQCRUVHUANS-DOTOQJQBSA-N 0 2 400.347 3.653 20 0 HHADLN CCN1CC[C@H](NC(=O)c2cc(F)c(O)c(F)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000436970491 981656263 /nfs/dbraw/zinc/65/62/63/981656263.db2.gz LZEMQCRUVHUANS-RDJZCZTQSA-N 0 2 400.347 3.653 20 0 HHADLN COCCc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc1 ZINC000437174081 981829893 /nfs/dbraw/zinc/82/98/93/981829893.db2.gz AGZWJAUTYWAXMI-UHFFFAOYSA-N 0 2 423.947 3.772 20 0 HHADLN O=C(c1cc2ccccc2s1)N1CCN(C(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000448494397 981831697 /nfs/dbraw/zinc/83/16/97/981831697.db2.gz FKXWHBONCBUCJQ-UHFFFAOYSA-N 0 2 418.877 3.998 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(F)c2)s1)c1cccc2cccnc21 ZINC000437177483 981832961 /nfs/dbraw/zinc/83/29/61/981832961.db2.gz VQVCWNGNPTWAIL-UHFFFAOYSA-N 0 2 400.460 3.617 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(F)c2)s1)c1cc(F)ccc1Cl ZINC000437180395 981836381 /nfs/dbraw/zinc/83/63/81/981836381.db2.gz KNNLHPXLNYARFW-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN O=S(=O)(Nc1nnc(CC2CCCCC2)s1)c1cnn(-c2ccccc2F)c1 ZINC000437182442 981839640 /nfs/dbraw/zinc/83/96/40/981839640.db2.gz HZVWWXSCIPAAKA-UHFFFAOYSA-N 0 2 421.523 3.787 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)s2)cc1C ZINC000437184753 981841143 /nfs/dbraw/zinc/84/11/43/981841143.db2.gz DLRMVLVIBLZLJD-UHFFFAOYSA-N 0 2 407.492 3.694 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2F)s1)c1ccc(F)cc1Cl ZINC000437201505 981859504 /nfs/dbraw/zinc/85/95/04/981859504.db2.gz KNUAOVCJSZFCIX-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000448536597 981864210 /nfs/dbraw/zinc/86/42/10/981864210.db2.gz GCFRHEHTTKNTNN-IAQYHMDHSA-N 0 2 421.885 3.823 20 0 HHADLN Cc1n[nH]c(C)c1NC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C ZINC000448546232 981874421 /nfs/dbraw/zinc/87/44/21/981874421.db2.gz YJBISYPECRTOMH-UHFFFAOYSA-N 0 2 417.466 3.919 20 0 HHADLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3csc(C(=O)OC)c3)sc2C1 ZINC000437396206 982040158 /nfs/dbraw/zinc/04/01/58/982040158.db2.gz PJDWAJYNZIPISH-JTQLQIEISA-N 0 2 400.547 3.697 20 0 HHADLN O=C(N[C@H]1C[C@H](c2ccccc2)C1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000437447465 982082623 /nfs/dbraw/zinc/08/26/23/982082623.db2.gz NGPKAKDDFOEAAZ-QAQDUYKDSA-N 0 2 413.524 3.620 20 0 HHADLN O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1 ZINC000460444138 982236347 /nfs/dbraw/zinc/23/63/47/982236347.db2.gz CKTJICULGALJTN-UHFFFAOYSA-N 0 2 401.341 3.711 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1)c1cnc2n1CCC2 ZINC000437660398 982277311 /nfs/dbraw/zinc/27/73/11/982277311.db2.gz JXDDNHBIZWENLC-UHFFFAOYSA-N 0 2 413.890 3.827 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c(-c3ccccc3Cl)nc2c1)c1cnc2n1CCC2 ZINC000437679727 982293486 /nfs/dbraw/zinc/29/34/86/982293486.db2.gz JPBDKWNDXZIVTO-UHFFFAOYSA-N 0 2 413.890 3.827 20 0 HHADLN O=C(Nc1cccc(Cl)c1)c1ccccc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000437684724 982296543 /nfs/dbraw/zinc/29/65/43/982296543.db2.gz XTHDTAJEJJOBJC-UHFFFAOYSA-N 0 2 416.890 3.536 20 0 HHADLN O=C(c1ccc(F)cc1)c1cccnc1NS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000460575692 982359188 /nfs/dbraw/zinc/35/91/88/982359188.db2.gz QSPGPBWXZPDKLI-UHFFFAOYSA-N 0 2 412.442 3.578 20 0 HHADLN O=S(=O)(Nc1cnc2c(Br)cccn12)c1cc(F)cc(Cl)c1 ZINC000460648136 982421267 /nfs/dbraw/zinc/42/12/67/982421267.db2.gz JXUOJUMPMKECSO-UHFFFAOYSA-N 0 2 404.648 3.690 20 0 HHADLN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)N=c2nc(C(C)(C)C)[nH]s2)cc1 ZINC000437979600 982503324 /nfs/dbraw/zinc/50/33/24/982503324.db2.gz RFYGHZYHEJXHOF-QGZVFWFLSA-N 0 2 402.564 3.822 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2ccc3c(c2)CCCO3)cn1 ZINC000460831262 982581492 /nfs/dbraw/zinc/58/14/92/982581492.db2.gz UNSQSOILDXOWKZ-UHFFFAOYSA-N 0 2 419.890 3.660 20 0 HHADLN CCc1ncc(S(=O)(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)s1 ZINC000460903938 982640012 /nfs/dbraw/zinc/64/00/12/982640012.db2.gz AUHKWSSHRRSZTK-GFCCVEGCSA-N 0 2 416.393 3.889 20 0 HHADLN CCc1ncc(S(=O)(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)s1 ZINC000460903949 982640170 /nfs/dbraw/zinc/64/01/70/982640170.db2.gz AUHKWSSHRRSZTK-LBPRGKRZSA-N 0 2 416.393 3.889 20 0 HHADLN C[S@@](=O)c1ccc(CC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cc1 ZINC000438381857 982756152 /nfs/dbraw/zinc/75/61/52/982756152.db2.gz WAGAYWBIAFUYPW-AREMUKBSSA-N 0 2 409.298 3.697 20 0 HHADLN COc1cc(OC)cc(-c2cccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)n2)c1 ZINC000461206693 982920686 /nfs/dbraw/zinc/92/06/86/982920686.db2.gz GQPJAVVDWGZIHS-UHFFFAOYSA-N 0 2 412.467 3.769 20 0 HHADLN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(Oc4ccccc4)nc3)cc2o1 ZINC000438812537 983086820 /nfs/dbraw/zinc/08/68/20/983086820.db2.gz PNZYEGQLBDXTHE-UHFFFAOYSA-N 0 2 417.830 3.763 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N(C)CC(=O)Nc2ccccc2SC)=N1 ZINC000438904035 983145398 /nfs/dbraw/zinc/14/53/98/983145398.db2.gz SCXASBMQRALWPM-UHFFFAOYSA-N 0 2 424.526 3.573 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC(C(=O)c3ccccc3)CC2)=N1 ZINC000438907880 983147426 /nfs/dbraw/zinc/14/74/26/983147426.db2.gz QVCOKCIOQFWHHC-UHFFFAOYSA-N 0 2 403.482 3.875 20 0 HHADLN COCCn1cc(S(=O)(=O)Nc2ccc(Sc3nc(C)cs3)cc2C)cn1 ZINC000439054187 983229735 /nfs/dbraw/zinc/22/97/35/983229735.db2.gz ZDYJUUNGHXTKDU-UHFFFAOYSA-N 0 2 424.573 3.555 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)=N1 ZINC000439104774 983251247 /nfs/dbraw/zinc/25/12/47/983251247.db2.gz AVYNTLLJCWTYGP-VFNWGFHPSA-N 0 2 409.461 3.882 20 0 HHADLN CO[C@H](C)c1nc(CNC(=O)c2cc(Cl)cc(Br)c2O)cs1 ZINC000439143238 983271119 /nfs/dbraw/zinc/27/11/19/983271119.db2.gz YNROLOFLEFCJPG-SSDOTTSWSA-N 0 2 405.701 3.902 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1ccc2c(c1)COC2 ZINC000439247742 983330585 /nfs/dbraw/zinc/33/05/85/983330585.db2.gz ODAYQGMDTDYUIP-UHFFFAOYSA-N 0 2 403.211 3.656 20 0 HHADLN COc1ccc(C)cc1CC(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439250769 983332116 /nfs/dbraw/zinc/33/21/16/983332116.db2.gz VEBJTWBGHHULRP-UHFFFAOYSA-N 0 2 419.254 3.872 20 0 HHADLN Cn1nccc1[C@@H]1CCCCN1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000439374681 983384486 /nfs/dbraw/zinc/38/44/86/983384486.db2.gz WSUZBXWCEAWSHJ-HNNXBMFYSA-N 0 2 402.911 3.773 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)c(F)cc1F ZINC000439871725 983563554 /nfs/dbraw/zinc/56/35/54/983563554.db2.gz KKGCKJRCPVZSLZ-UHFFFAOYSA-N 0 2 406.458 3.952 20 0 HHADLN Cc1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000439877227 983566025 /nfs/dbraw/zinc/56/60/25/983566025.db2.gz IPTCUIMZRYRCLR-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC(C)C)cc1Cl ZINC000440820737 983921742 /nfs/dbraw/zinc/92/17/42/983921742.db2.gz ZBTLKPOLLMDFID-UHFFFAOYSA-N 0 2 413.879 3.723 20 0 HHADLN Cc1cccc([C@@H]2CCCCN2C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)c1C ZINC000441272340 984151590 /nfs/dbraw/zinc/15/15/90/984151590.db2.gz YSZJRQPNBPGUQX-INIZCTEOSA-N 0 2 400.548 3.567 20 0 HHADLN CC[C@H](C)[C@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccc(Cl)cc1 ZINC000442133904 984659633 /nfs/dbraw/zinc/65/96/33/984659633.db2.gz LZGORTWRDUDUOY-FZMZJTMJSA-N 0 2 408.955 3.753 20 0 HHADLN CCc1nc2ccc(Cl)cn2c1C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000462020344 984998626 /nfs/dbraw/zinc/99/86/26/984998626.db2.gz KYVKRZAOTORSHT-UHFFFAOYSA-N 0 2 413.890 3.751 20 0 HHADLN CCNC(=O)N1CCc2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc21 ZINC000462104582 985074821 /nfs/dbraw/zinc/07/48/21/985074821.db2.gz RNJRXWVHWZIOJN-UHFFFAOYSA-N 0 2 420.343 3.948 20 0 HHADLN O=S(=O)(Nc1ccc(-n2cccn2)c(Cl)c1)c1cnccc1C(F)(F)F ZINC000442815565 985225391 /nfs/dbraw/zinc/22/53/91/985225391.db2.gz VPWSRASMVQAOSW-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000442817584 985225859 /nfs/dbraw/zinc/22/58/59/985225859.db2.gz MMTLLCCMPRMURN-UHFFFAOYSA-N 0 2 424.544 3.937 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(OC)c1 ZINC000442830435 985233404 /nfs/dbraw/zinc/23/34/04/985233404.db2.gz YPQQDDOVMKDZKZ-UHFFFAOYSA-N 0 2 423.796 3.955 20 0 HHADLN O=S(=O)(Nc1cccc(OCc2cscn2)c1)c1cnccc1C(F)(F)F ZINC000442833196 985235516 /nfs/dbraw/zinc/23/55/16/985235516.db2.gz BKPRIXXPIRPFHV-UHFFFAOYSA-N 0 2 415.418 3.937 20 0 HHADLN C[C@H](c1cccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000462255935 985241295 /nfs/dbraw/zinc/24/12/95/985241295.db2.gz RXJWQRYXJHRFEW-YOSAUDMPSA-N 0 2 422.573 3.722 20 0 HHADLN CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3cnccc3C(F)(F)F)c2)n1 ZINC000442845450 985243480 /nfs/dbraw/zinc/24/34/80/985243480.db2.gz UIEWORGFHAPVMO-UHFFFAOYSA-N 0 2 412.393 3.822 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC000443130991 985395555 /nfs/dbraw/zinc/39/55/55/985395555.db2.gz JPCUIELGTNIJKT-UHFFFAOYSA-N 0 2 404.441 3.532 20 0 HHADLN CCOc1ccc2nc(NS(=O)(=O)c3cnccc3C(F)(F)F)sc2c1 ZINC000443141274 985403170 /nfs/dbraw/zinc/40/31/70/985403170.db2.gz IVXWATYIXMVTOA-UHFFFAOYSA-N 0 2 403.407 3.910 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3cnn(Cc4ccncc4)c3)c2)n1 ZINC000443404679 985559021 /nfs/dbraw/zinc/55/90/21/985559021.db2.gz GIGURGUVXRHRRR-UHFFFAOYSA-N 0 2 411.512 3.559 20 0 HHADLN O=S(=O)(Nc1cc(C2CCC2)nn1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000443408904 985564651 /nfs/dbraw/zinc/56/46/51/985564651.db2.gz LXEZALUOBUWIQF-UHFFFAOYSA-N 0 2 411.483 3.712 20 0 HHADLN CC(C)(C)c1nc2ccc(NS(=O)(=O)c3cnn([C@@H]4CCOC4)c3)cc2s1 ZINC000443460482 985633193 /nfs/dbraw/zinc/63/31/93/985633193.db2.gz KVJNOZUGJIKDET-CYBMUJFWSA-N 0 2 406.533 3.553 20 0 HHADLN Cn1nccc1S(=O)(=O)Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1 ZINC000443464822 985639925 /nfs/dbraw/zinc/63/99/25/985639925.db2.gz WCVDYNYZIWWZBM-UHFFFAOYSA-N 0 2 415.862 3.610 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)CCc2ccc(C)o2)c(F)c1Cl ZINC000462715876 985661900 /nfs/dbraw/zinc/66/19/00/985661900.db2.gz WYYFDMQICZTIJU-SECBINFHSA-N 0 2 420.865 3.778 20 0 HHADLN CCCc1nc(C)c(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)s1 ZINC000443580744 985756068 /nfs/dbraw/zinc/75/60/68/985756068.db2.gz KOKVESGLWZSKGK-UHFFFAOYSA-N 0 2 422.557 3.914 20 0 HHADLN COc1cc2c(cc1OC)CN(CC(=O)Nc1cc(Cl)c(O)c(Cl)c1)CC2 ZINC000463110710 986072401 /nfs/dbraw/zinc/07/24/01/986072401.db2.gz UTCWJTBMKPAXAF-UHFFFAOYSA-N 0 2 411.285 3.713 20 0 HHADLN Cc1cc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)ccc1-n1cncn1 ZINC000463160012 986131521 /nfs/dbraw/zinc/13/15/21/986131521.db2.gz IMODKTWQLTVXIJ-UHFFFAOYSA-N 0 2 414.256 3.920 20 0 HHADLN CCCC(=O)N1CCC[C@H](C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)C1 ZINC000463164841 986136798 /nfs/dbraw/zinc/13/67/98/986136798.db2.gz GSPQGHRRGKUFQH-NSHDSACASA-N 0 2 410.305 3.756 20 0 HHADLN CSCc1noc(CCC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)n1 ZINC000463170271 986142599 /nfs/dbraw/zinc/14/25/99/986142599.db2.gz KOYGNTJHAYSMDR-UHFFFAOYSA-N 0 2 413.290 3.596 20 0 HHADLN CC[C@@H](C)[C@H](NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(F)(F)F ZINC000443946045 986154487 /nfs/dbraw/zinc/15/44/87/986154487.db2.gz XMMPJUIUAMANPI-UHLUBPPHSA-N 0 2 404.813 3.693 20 0 HHADLN Cc1cc(Br)cc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)c1 ZINC000444045710 986242920 /nfs/dbraw/zinc/24/29/20/986242920.db2.gz ATVSFJMOSCKJSM-UHFFFAOYSA-N 0 2 416.244 3.515 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nccc(-c3ccco3)n2)c(Cl)c1Cl ZINC000463359458 986324900 /nfs/dbraw/zinc/32/49/00/986324900.db2.gz UQPBOUNNIPYNPT-UHFFFAOYSA-N 0 2 400.243 3.853 20 0 HHADLN O=C(NCc1ccc(Oc2ccc(F)cc2)nc1)C1=NN(c2ccccc2)CC1=O ZINC000468616994 986332425 /nfs/dbraw/zinc/33/24/25/986332425.db2.gz DTUYFPPKIRUWLZ-UHFFFAOYSA-N 0 2 404.401 3.834 20 0 HHADLN O=S(=O)(Nc1nccc(-c2ccco2)n1)c1cc(F)c(Br)cc1F ZINC000463368178 986334240 /nfs/dbraw/zinc/33/42/40/986334240.db2.gz OKWSYXQLUGFGOP-UHFFFAOYSA-N 0 2 416.203 3.578 20 0 HHADLN Cc1ccc(F)c(-c2cc([N-]S(=O)(=O)c3ccccc3Cn3cc[nH+]c3)n[nH]2)c1 ZINC000444211305 986393251 /nfs/dbraw/zinc/39/32/51/986393251.db2.gz JRYYLJRVXHAHCG-UHFFFAOYSA-N 0 2 411.462 3.570 20 0 HHADLN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)s1 ZINC000444217385 986401751 /nfs/dbraw/zinc/40/17/51/986401751.db2.gz UACMRJMIOSQWCZ-UHFFFAOYSA-N 0 2 423.829 3.710 20 0 HHADLN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)n1 ZINC000468699133 986411854 /nfs/dbraw/zinc/41/18/54/986411854.db2.gz SDEDTLHJPWVNAS-INIZCTEOSA-N 0 2 424.476 3.671 20 0 HHADLN CC(C)[C@@H](CNC(=O)NCc1nnc(COc2ccccc2)[nH]1)Cc1ccccc1 ZINC000468748298 986461464 /nfs/dbraw/zinc/46/14/64/986461464.db2.gz PKUKGRQYWDZMTN-LJQANCHMSA-N 0 2 407.518 3.698 20 0 HHADLN CCCc1csc(NS(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)n1 ZINC000468893114 986599780 /nfs/dbraw/zinc/59/97/80/986599780.db2.gz IPTJBAIPCWMBQH-NSHDSACASA-N 0 2 404.941 3.964 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)COc3cc(Cl)cc(Cl)c3)s[nH]2)c1 ZINC000463757450 986747481 /nfs/dbraw/zinc/74/74/81/986747481.db2.gz BADQNCHMNDKOHS-UHFFFAOYSA-N 0 2 410.282 3.960 20 0 HHADLN COc1cc2c(cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1)NC(=O)CC2 ZINC000463789466 986780927 /nfs/dbraw/zinc/78/09/27/986780927.db2.gz JJPPYLOIWITXCF-UHFFFAOYSA-N 0 2 401.271 3.688 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(C(C)C)s1 ZINC000469121065 986838386 /nfs/dbraw/zinc/83/83/86/986838386.db2.gz YRLDZBMJTFZKOV-JTQLQIEISA-N 0 2 405.929 3.529 20 0 HHADLN Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000469381018 987076777 /nfs/dbraw/zinc/07/67/77/987076777.db2.gz JEZNFXBCIHJSOW-UHFFFAOYSA-N 0 2 414.803 4.150 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)N1CCc2ccccc21 ZINC000470239920 988178106 /nfs/dbraw/zinc/17/81/06/988178106.db2.gz YJSAKCKWRMFJPM-FQEVSTJZSA-N 0 2 404.514 3.882 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)N1CCc2ccccc21 ZINC000470239921 988178268 /nfs/dbraw/zinc/17/82/68/988178268.db2.gz YJSAKCKWRMFJPM-HXUWFJFHSA-N 0 2 404.514 3.882 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(F)ccc2OC(F)F)c1 ZINC000470459014 988443510 /nfs/dbraw/zinc/44/35/10/988443510.db2.gz PIPQMECYDXXXFQ-UHFFFAOYSA-N 0 2 409.769 3.668 20 0 HHADLN CSc1ccc(S(=O)(=O)Nc2cc(C)nn2Cc2ccccn2)cc1Cl ZINC000464412418 988582527 /nfs/dbraw/zinc/58/25/27/988582527.db2.gz UUJCPFGLPNAVPJ-UHFFFAOYSA-N 0 2 408.936 3.811 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[C@@H](c3c(F)cccc3F)C2)=N1 ZINC000470585723 988597944 /nfs/dbraw/zinc/59/79/44/988597944.db2.gz ZKXQUQZSVNEBFE-CYBMUJFWSA-N 0 2 401.388 3.933 20 0 HHADLN O=C(NCc1n[nH]c(=O)[nH]1)Nc1ccc2nc(-c3cccc(Cl)c3)sc2c1 ZINC000470596044 988611582 /nfs/dbraw/zinc/61/15/82/988611582.db2.gz ORTZQNOZBYJAEU-UHFFFAOYSA-N 0 2 400.851 3.762 20 0 HHADLN C[C@@H](CN(C)C(=O)c1c[nH]c2c(cnn2C)c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000470724060 988751783 /nfs/dbraw/zinc/75/17/83/988751783.db2.gz QYOIVKFPGNDZPO-JTQLQIEISA-N 0 2 409.273 3.520 20 0 HHADLN O=C(CSCC(=O)c1ccc(Cl)cc1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000471013682 989083739 /nfs/dbraw/zinc/08/37/39/989083739.db2.gz XJIDIKDSSAPKPE-UHFFFAOYSA-N 0 2 409.945 3.897 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3nc4c(ccc(F)c4C)s3)cc21 ZINC000464910165 989185327 /nfs/dbraw/zinc/18/53/27/989185327.db2.gz HFXQUGHZCNWTDO-UHFFFAOYSA-N 0 2 419.503 3.844 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)cc1Cl ZINC000471498585 989696678 /nfs/dbraw/zinc/69/66/78/989696678.db2.gz CEXGEEXPRXBRLU-UHFFFAOYSA-N 0 2 414.921 3.679 20 0 HHADLN COC(=O)CCCc1nnc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)s1 ZINC000471499897 989697486 /nfs/dbraw/zinc/69/74/86/989697486.db2.gz OJPRXICWAKMFMC-UHFFFAOYSA-N 0 2 423.560 3.882 20 0 HHADLN Cc1c(Br)cccc1S(=O)(=O)Nc1nnc(-c2ccco2)s1 ZINC000471507349 989705473 /nfs/dbraw/zinc/70/54/73/989705473.db2.gz LNTHDGNHZCKIND-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2ccc3c(c2)CCO3)s1)c1ccccc1 ZINC000471521977 989721757 /nfs/dbraw/zinc/72/17/57/989721757.db2.gz WEXVUUMTUHMRKF-INIZCTEOSA-N 0 2 401.513 3.816 20 0 HHADLN Cc1ccnc(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)n1 ZINC000471713776 989912327 /nfs/dbraw/zinc/91/23/27/989912327.db2.gz NSEYXGSKUFDLFV-UHFFFAOYSA-N 0 2 420.853 3.631 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1ccc(Cl)cc1-n1cccn1 ZINC000471895732 990067262 /nfs/dbraw/zinc/06/72/62/990067262.db2.gz MQPZFJZNEDFFPL-UHFFFAOYSA-N 0 2 414.878 3.900 20 0 HHADLN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2cc(C3CCCCC3)nn2C)c1 ZINC000471915580 990082754 /nfs/dbraw/zinc/08/27/54/990082754.db2.gz RLNZCAZZVVOXPS-UHFFFAOYSA-N 0 2 409.483 3.503 20 0 HHADLN O=S(=O)(Nc1ccnn1-c1cccc(F)c1)c1ccc(OCC(F)(F)F)cc1 ZINC000471921107 990088063 /nfs/dbraw/zinc/08/80/63/990088063.db2.gz REZWNESWIIYGQL-UHFFFAOYSA-N 0 2 415.368 3.753 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ccnn1[C@@H](C)c1cc(Cl)ccc1Cl ZINC000471942698 990107143 /nfs/dbraw/zinc/10/71/43/990107143.db2.gz OIHULXIWTFEFRW-NSHDSACASA-N 0 2 414.318 3.816 20 0 HHADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1c(C)cccc1SC ZINC000471988495 990154633 /nfs/dbraw/zinc/15/46/33/990154633.db2.gz KNSJJQVFGOCPRV-UHFFFAOYSA-N 0 2 406.529 3.875 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000466271777 991517659 /nfs/dbraw/zinc/51/76/59/991517659.db2.gz NUQZWGWXDDNTAZ-UHFFFAOYSA-N 0 2 422.478 3.706 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3cc(-c4cccs4)[nH]n3)cc2F)c1 ZINC000466286785 991534201 /nfs/dbraw/zinc/53/42/01/991534201.db2.gz HKYFCKDIFJGUPZ-UHFFFAOYSA-N 0 2 403.464 3.572 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccccc1CCC(F)(F)F ZINC000466286414 991534374 /nfs/dbraw/zinc/53/43/74/991534374.db2.gz HKRGNPMIMIEWIH-UHFFFAOYSA-N 0 2 405.369 3.908 20 0 HHADLN COc1ccc(-c2cncc(C(=O)N=c3nc(-c4cccc(OC)c4)[nH]s3)c2)cc1 ZINC000466330159 991583714 /nfs/dbraw/zinc/58/37/14/991583714.db2.gz FBFHGAHGHLSXNU-UHFFFAOYSA-N 0 2 418.478 3.959 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCC3)cnn1-c1ccccc1 ZINC000466468785 991759650 /nfs/dbraw/zinc/75/96/50/991759650.db2.gz KZHCOWRBAMZOLO-UHFFFAOYSA-N 0 2 424.526 3.535 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc(C(=O)OC)ccc1C(C)C ZINC000466470909 991761875 /nfs/dbraw/zinc/76/18/75/991761875.db2.gz CKBNXDRSFZKQNF-UHFFFAOYSA-N 0 2 411.501 3.554 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(Br)cc2)cnn1-c1ccccc1 ZINC000466478603 991770672 /nfs/dbraw/zinc/77/06/72/991770672.db2.gz GCSAMVIRVLYQFW-UHFFFAOYSA-N 0 2 406.305 3.998 20 0 HHADLN CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc4ccc(Cl)cc4s3)ccc21 ZINC000467039661 992348805 /nfs/dbraw/zinc/34/88/05/992348805.db2.gz BHRIODWDBCAUHR-UHFFFAOYSA-N 0 2 409.876 3.678 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cc3oc4ccccc4c3cc2OC)cn1C ZINC000467083942 992390189 /nfs/dbraw/zinc/39/01/89/992390189.db2.gz IMINJHMCKDVUOM-UHFFFAOYSA-N 0 2 414.439 3.521 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2Oc2cccc(F)c2)cn1C ZINC000467091752 992397270 /nfs/dbraw/zinc/39/72/70/992397270.db2.gz OLUSJNVNJWTEFX-UHFFFAOYSA-N 0 2 404.419 3.544 20 0 HHADLN Cc1ccnc(-c2cccc(NC(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)c2)n1 ZINC000467352333 992671116 /nfs/dbraw/zinc/67/11/16/992671116.db2.gz GLTZEIOQTOZHTE-UHFFFAOYSA-N 0 2 406.471 3.826 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccc4nc(C(C)(C)C)[nH]c4c3)cc21 ZINC000467416260 992718703 /nfs/dbraw/zinc/71/87/03/992718703.db2.gz GDZSNQADHAWXOT-UHFFFAOYSA-N 0 2 412.515 3.570 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)cn1C ZINC000467441976 992739115 /nfs/dbraw/zinc/73/91/15/992739115.db2.gz JQJFYEDXRXCELX-UHFFFAOYSA-N 0 2 420.299 3.529 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1cc(F)ccc1Br ZINC000467465669 992758902 /nfs/dbraw/zinc/75/89/02/992758902.db2.gz TZCOQAVKBICQGU-UHFFFAOYSA-N 0 2 411.256 3.962 20 0 HHADLN COc1cc(NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)ccc1OC(C)C ZINC000467669235 992927435 /nfs/dbraw/zinc/92/74/35/992927435.db2.gz VYIBYINEAQCEDA-UHFFFAOYSA-N 0 2 402.476 3.857 20 0 HHADLN CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000467756512 993001152 /nfs/dbraw/zinc/00/11/52/993001152.db2.gz VIHRNERTJIHESV-PBHICJAKSA-N 0 2 423.560 3.868 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC[C@@H](C(F)(F)F)[C@@H]3C)s[nH]2)c1 ZINC000481151752 993985619 /nfs/dbraw/zinc/98/56/19/993985619.db2.gz SOZFUDZPIHOKMZ-GXFFZTMASA-N 0 2 400.426 3.830 20 0 HHADLN O=C(Nc1cc([C@@H]2CCCOC2)[nH]n1)c1[nH]nc(-c2ccccc2)c1Br ZINC000473413702 994266165 /nfs/dbraw/zinc/26/61/65/994266165.db2.gz RCMWUSWULGGKHG-GFCCVEGCSA-N 0 2 416.279 3.709 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cc(-n3cccn3)ccc2C)cc1Cl ZINC000473422589 994274383 /nfs/dbraw/zinc/27/43/83/994274383.db2.gz BFYJDUKUKJFICX-UHFFFAOYSA-N 0 2 422.869 3.732 20 0 HHADLN Cc1ccc([C@@H]2COCCN2C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)o1 ZINC000481460654 994295639 /nfs/dbraw/zinc/29/56/39/994295639.db2.gz BGDKTDNIYZIIQY-AWEZNQCLSA-N 0 2 404.879 3.787 20 0 HHADLN CC(=O)Nc1cc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)cc(C(F)(F)F)c1 ZINC000473475970 994319744 /nfs/dbraw/zinc/31/97/44/994319744.db2.gz TYQMTBVRROZINK-UHFFFAOYSA-N 0 2 407.327 3.840 20 0 HHADLN CCOC(=O)C(C)(C)n1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)cn1 ZINC000481570961 994406308 /nfs/dbraw/zinc/40/63/08/994406308.db2.gz NNKQEVMDHVHZCP-UHFFFAOYSA-N 0 2 413.499 3.649 20 0 HHADLN CCOC(=O)C(C)(C)n1cc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)cn1 ZINC000481615634 994473544 /nfs/dbraw/zinc/47/35/44/994473544.db2.gz YZXYRTSQOKZYPB-UHFFFAOYSA-N 0 2 420.318 3.597 20 0 HHADLN Cc1cnn(-c2ccc(C)cc2NC(=O)NCc2nnc(COc3ccccc3)[nH]2)c1 ZINC000473753416 994661398 /nfs/dbraw/zinc/66/13/98/994661398.db2.gz ICFLGGOLIANOLV-UHFFFAOYSA-N 0 2 417.473 3.508 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc3ccsc3s2)c(Br)c1 ZINC000481814967 994664945 /nfs/dbraw/zinc/66/49/45/994664945.db2.gz MMAYGPNXLVTPHT-UHFFFAOYSA-N 0 2 405.320 3.930 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1nnc(-c2ccc(Cl)cc2F)s1 ZINC000481847793 994703323 /nfs/dbraw/zinc/70/33/23/994703323.db2.gz QAFBSACKSSOJKT-UHFFFAOYSA-N 0 2 413.883 3.945 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3c(Cl)cccc3Cl)o2)c1 ZINC000481859102 994717168 /nfs/dbraw/zinc/71/71/68/994717168.db2.gz FFLYPSJLKNQKEX-UHFFFAOYSA-N 0 2 414.270 3.777 20 0 HHADLN CCc1c(NC(=O)c2ccc3[nH]nnc3c2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000481863395 994723251 /nfs/dbraw/zinc/72/32/51/994723251.db2.gz XFFJFIWMIJSKSE-UHFFFAOYSA-N 0 2 400.364 3.977 20 0 HHADLN COc1ccc(Br)cc1S(=O)(=O)Nc1ncc(-c2ccccc2)cn1 ZINC000481867045 994728182 /nfs/dbraw/zinc/72/81/82/994728182.db2.gz AOSTXXGWOQZFCX-UHFFFAOYSA-N 0 2 420.288 3.716 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(Cc3ccccc3)o2)ccc1Br ZINC000481882301 994746731 /nfs/dbraw/zinc/74/67/31/994746731.db2.gz BCYFADVFYYCMGH-UHFFFAOYSA-N 0 2 408.277 3.532 20 0 HHADLN Cc1ccc(Cc2cnc(NS(=O)(=O)c3ccc4c(c3)OCO4)s2)cc1F ZINC000481920037 994792605 /nfs/dbraw/zinc/79/26/05/994792605.db2.gz IXKAEJJGBGVDLF-UHFFFAOYSA-N 0 2 406.460 3.711 20 0 HHADLN Cc1ccc2nc(NS(=O)(=O)c3ccc(OCC(F)(F)F)nc3)sc2c1 ZINC000481924137 994795863 /nfs/dbraw/zinc/79/58/63/994795863.db2.gz QCQLJFNKZVHPEX-UHFFFAOYSA-N 0 2 403.407 3.742 20 0 HHADLN COc1ccc2ccccc2c1CNC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473884767 994832801 /nfs/dbraw/zinc/83/28/01/994832801.db2.gz JOSIWESSSQXTCP-UHFFFAOYSA-N 0 2 417.469 3.545 20 0 HHADLN Cc1c2cc(F)ccc2oc1CNC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473903182 994862567 /nfs/dbraw/zinc/86/25/67/994862567.db2.gz OEAIKFMMGGYNRJ-UHFFFAOYSA-N 0 2 409.421 3.577 20 0 HHADLN C[C@@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1cccc(C(F)(F)F)c1 ZINC000473903501 994864070 /nfs/dbraw/zinc/86/40/70/994864070.db2.gz WHXCGRUVEWWZJQ-CYBMUJFWSA-N 0 2 419.407 3.963 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000473948404 994925783 /nfs/dbraw/zinc/92/57/83/994925783.db2.gz KXSPIOHPGMFSOJ-NRFANRHFSA-N 0 2 409.465 3.863 20 0 HHADLN CC[C@@H](CSc1ccccc1)NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474001534 994991224 /nfs/dbraw/zinc/99/12/24/994991224.db2.gz SAVFGILDNIBKIO-INIZCTEOSA-N 0 2 411.531 3.754 20 0 HHADLN Cc1ccc(CNC(=O)NCc2nnc(COc3ccccc3)[nH]2)c(OC(C)(C)C)c1 ZINC000474045701 995036351 /nfs/dbraw/zinc/03/63/51/995036351.db2.gz LRIVQAKDSVFOMM-UHFFFAOYSA-N 0 2 423.517 3.869 20 0 HHADLN CC(C)c1ccc(CCCNC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000474047936 995037913 /nfs/dbraw/zinc/03/79/13/995037913.db2.gz QULPWVXAKAZWAI-UHFFFAOYSA-N 0 2 407.518 3.939 20 0 HHADLN C[C@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1cccc(N2CCCC2)c1 ZINC000474049745 995039224 /nfs/dbraw/zinc/03/92/24/995039224.db2.gz BYYCREACQHHQJL-KRWDZBQOSA-N 0 2 420.517 3.544 20 0 HHADLN C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474056662 995044923 /nfs/dbraw/zinc/04/49/23/995044923.db2.gz ROOXQVCNSXNEGI-LHSJRXKWSA-N 0 2 409.465 3.646 20 0 HHADLN Cc1cc(C)cc([C@H]2CCN(C(=O)NCc3nnc(COc4ccccc4)[nH]3)C2)c1 ZINC000474087913 995070759 /nfs/dbraw/zinc/07/07/59/995070759.db2.gz HDDYFKSIPCEYNZ-SFHVURJKSA-N 0 2 405.502 3.700 20 0 HHADLN C[C@H]1CN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)CC[C@H]1c1ccccc1 ZINC000474091424 995073388 /nfs/dbraw/zinc/07/33/88/995073388.db2.gz WZTQFAPVMHGJKM-FXAWDEMLSA-N 0 2 405.502 3.719 20 0 HHADLN CCCN(C(=O)NCc1nnc(COc2ccccc2)[nH]1)[C@H]1C[C@H](OCC)C1(C)C ZINC000474092614 995075279 /nfs/dbraw/zinc/07/52/79/995075279.db2.gz CEFWQRDXFLPCRC-ROUUACIJSA-N 0 2 415.538 3.509 20 0 HHADLN CCCN(C(=O)NCc1nnc(COc2ccccc2)[nH]1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000474092615 995075519 /nfs/dbraw/zinc/07/55/19/995075519.db2.gz CEFWQRDXFLPCRC-ZWKOTPCHSA-N 0 2 415.538 3.509 20 0 HHADLN Cc1ccc([C@H]2CSCCN2C(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000474095559 995076829 /nfs/dbraw/zinc/07/68/29/995076829.db2.gz MMVNNBPYRQYRJT-LJQANCHMSA-N 0 2 423.542 3.692 20 0 HHADLN CCN(C(=O)NCc1nnc(COc2ccccc2)[nH]1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000474095831 995078038 /nfs/dbraw/zinc/07/80/38/995078038.db2.gz NVFZIOGTWBDWLS-KRWDZBQOSA-N 0 2 423.517 3.555 20 0 HHADLN O=S(=O)(Nc1ccccc1OCC(F)F)c1cc2c(cc1Cl)OCCO2 ZINC000474298281 995288604 /nfs/dbraw/zinc/28/86/04/995288604.db2.gz ILPAUMFLGJXMDU-UHFFFAOYSA-N 0 2 405.806 3.556 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000474572883 995535069 /nfs/dbraw/zinc/53/50/69/995535069.db2.gz GHQFSJCKHQXEMO-JKSUJKDBSA-N 0 2 416.403 3.822 20 0 HHADLN O=C(CCCc1nc2ccccc2s1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474576088 995538146 /nfs/dbraw/zinc/53/81/46/995538146.db2.gz OBODIZWVDIBGNH-UHFFFAOYSA-N 0 2 407.499 3.633 20 0 HHADLN COc1ccc(C2(C(=O)NCc3nnc(COc4ccccc4)[nH]3)CCCC2)cc1 ZINC000474584940 995544464 /nfs/dbraw/zinc/54/44/64/995544464.db2.gz YTPPISPHAHDMJP-UHFFFAOYSA-N 0 2 406.486 3.521 20 0 HHADLN C[C@@H](CSc1ccc(F)cc1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474591179 995549738 /nfs/dbraw/zinc/54/97/38/995549738.db2.gz GEGGDDKHIWDFDI-AWEZNQCLSA-N 0 2 400.479 3.567 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cc(Cl)ccc1Br ZINC000474592071 995550473 /nfs/dbraw/zinc/55/04/73/995550473.db2.gz FHVONOXPSNYWOH-UHFFFAOYSA-N 0 2 421.682 3.730 20 0 HHADLN C[C@@H]1C[C@H](C)[C@@H](C)N(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000474723042 995659285 /nfs/dbraw/zinc/65/92/85/995659285.db2.gz NQLVSZTYQVIIEU-HZSPNIEDSA-N 0 2 408.549 3.842 20 0 HHADLN C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)[C@H]1C ZINC000482696720 995687653 /nfs/dbraw/zinc/68/76/53/995687653.db2.gz RQEUWZVEMKDGKU-YCPHGPKFSA-N 0 2 407.561 3.746 20 0 HHADLN CN(Cc1ccc(F)cc1Br)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000482764131 995732944 /nfs/dbraw/zinc/73/29/44/995732944.db2.gz YYVKRVIREOQPSK-UHFFFAOYSA-N 0 2 404.239 3.752 20 0 HHADLN CCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccc3F)n[nH]2)cc1F ZINC000474854544 995754378 /nfs/dbraw/zinc/75/43/78/995754378.db2.gz VHGGLZSVBSUORP-UHFFFAOYSA-N 0 2 400.385 3.750 20 0 HHADLN COCCOc1ccc(Cl)cc1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000483180736 996021952 /nfs/dbraw/zinc/02/19/52/996021952.db2.gz VFYALEYEOZIKQT-UHFFFAOYSA-N 0 2 408.792 3.681 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N3CCO[C@H](c4ccc(F)cc4Cl)C3)c[nH]c2n1 ZINC000483519277 996229293 /nfs/dbraw/zinc/22/92/93/996229293.db2.gz LQUIIYDBABFJMZ-KRWDZBQOSA-N 0 2 401.825 3.650 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)cc1F ZINC000475742596 996341523 /nfs/dbraw/zinc/34/15/23/996341523.db2.gz RYQUXBWAQKDRAR-UHFFFAOYSA-N 0 2 403.410 3.721 20 0 HHADLN CCc1cc(=O)[nH]c(-c2cccc(NS(=O)(=O)c3cc(F)c(C)cc3F)c2)n1 ZINC000475748610 996346439 /nfs/dbraw/zinc/34/64/39/996346439.db2.gz OYNJDYNJNOTJCJ-UHFFFAOYSA-N 0 2 405.426 3.799 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(SC)cc2OC)c(Br)c1 ZINC000475786537 996370634 /nfs/dbraw/zinc/37/06/34/996370634.db2.gz CRBSJWWYTBOSAI-UHFFFAOYSA-N 0 2 418.334 3.989 20 0 HHADLN CC(C)(C(=O)N=c1nc(-c2cccnc2)[nH]s1)c1ccc(OC(F)(F)F)cc1 ZINC000475920201 996472180 /nfs/dbraw/zinc/47/21/80/996472180.db2.gz PCENPOFWZJLEQR-UHFFFAOYSA-N 0 2 408.405 3.837 20 0 HHADLN O=S(=O)(Nc1nsc(-c2ccccc2)n1)c1ccccc1OC(F)(F)F ZINC000476198978 996672335 /nfs/dbraw/zinc/67/23/35/996672335.db2.gz OFBZPGYARQLHHA-UHFFFAOYSA-N 0 2 401.391 3.905 20 0 HHADLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c1 ZINC000476246591 996704585 /nfs/dbraw/zinc/70/45/85/996704585.db2.gz JZQYKLZVDSRWJA-UHFFFAOYSA-N 0 2 418.471 3.721 20 0 HHADLN Cn1cc(-c2cc(F)ccc2NC(=O)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cn1 ZINC000484329518 996707372 /nfs/dbraw/zinc/70/73/72/996707372.db2.gz SSOIINSVUXTOBJ-UHFFFAOYSA-N 0 2 423.231 3.816 20 0 HHADLN CC(C)n1ncc2c1C[C@H](NC(=O)N=c1nc(-c3cccc(Cl)c3)[nH]s1)CC2 ZINC000484340205 996714122 /nfs/dbraw/zinc/71/41/22/996714122.db2.gz HBNUMWCCMBEZTG-OAHLLOKOSA-N 0 2 416.938 3.737 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cnn(-c4ccc(Cl)cc4)c3)s[nH]2)c1 ZINC000476291687 996735127 /nfs/dbraw/zinc/73/51/27/996735127.db2.gz WUVVBGUBDZHQIL-UHFFFAOYSA-N 0 2 411.874 3.727 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cccc(OCc4cccnc4)c3)s[nH]2)c1 ZINC000476293024 996735648 /nfs/dbraw/zinc/73/56/48/996735648.db2.gz ZMGGECQDNFAGJF-UHFFFAOYSA-N 0 2 418.478 3.862 20 0 HHADLN COc1ccc([C@@H](CO)N(C)C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)cc1 ZINC000476319908 996754356 /nfs/dbraw/zinc/75/43/56/996754356.db2.gz CTXSBKMHNDOLTH-HXUWFJFHSA-N 0 2 409.486 3.516 20 0 HHADLN CCCCCn1nc(C)cc1NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000484430240 996761764 /nfs/dbraw/zinc/76/17/64/996761764.db2.gz IJQCUUPZXCKGGF-UHFFFAOYSA-N 0 2 416.906 3.933 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)CCCOc3ccc(F)cc3F)s[nH]2)c1 ZINC000476353758 996774047 /nfs/dbraw/zinc/77/40/47/996774047.db2.gz RRRBLOVAKFKJKD-UHFFFAOYSA-N 0 2 405.426 3.712 20 0 HHADLN CCOc1ccccc1OCCCC(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000476358261 996785432 /nfs/dbraw/zinc/78/54/32/996785432.db2.gz WUEIKPQVOSNNMH-UHFFFAOYSA-N 0 2 413.499 3.832 20 0 HHADLN O=C(N[C@H]1CCc2cc(F)ccc21)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476405208 996864393 /nfs/dbraw/zinc/86/43/93/996864393.db2.gz ASPGNNSSKLVDJZ-KRWDZBQOSA-N 0 2 417.487 3.500 20 0 HHADLN CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476416803 996879972 /nfs/dbraw/zinc/87/99/72/996879972.db2.gz SPNDMPXFZCQAQK-UHFFFAOYSA-N 0 2 421.931 3.870 20 0 HHADLN CCOC(=O)c1nc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)oc1C ZINC000476425428 996893712 /nfs/dbraw/zinc/89/37/12/996893712.db2.gz CDDXAVHACYFGOC-UHFFFAOYSA-N 0 2 413.666 3.921 20 0 HHADLN CC(C)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 ZINC000476436452 996907476 /nfs/dbraw/zinc/90/74/76/996907476.db2.gz RHWYFQPUFZCQAS-OAHLLOKOSA-N 0 2 407.561 3.842 20 0 HHADLN C[C@@H](CCc1ccccc1)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476438668 996910799 /nfs/dbraw/zinc/91/07/99/996910799.db2.gz RZJBMDYVLZFSPB-HNNXBMFYSA-N 0 2 415.540 3.695 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000484669465 997008732 /nfs/dbraw/zinc/00/87/32/997008732.db2.gz LHQSBGMWGXPZEK-UHFFFAOYSA-N 0 2 420.418 3.756 20 0 HHADLN Cn1cc(-c2ncc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4)n[nH]3)s2)cn1 ZINC000484738396 997081033 /nfs/dbraw/zinc/08/10/33/997081033.db2.gz PEQJKWWLLRMHNM-UHFFFAOYSA-N 0 2 419.392 3.600 20 0 HHADLN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4cn[nH]c43)ccc2C)c1 ZINC000484765472 997108170 /nfs/dbraw/zinc/10/81/70/997108170.db2.gz AXRYSESNBJTPJH-LJQANCHMSA-N 0 2 424.526 3.635 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CCCc4cn[nH]c43)c2)cc1 ZINC000484777360 997124180 /nfs/dbraw/zinc/12/41/80/997124180.db2.gz CKWUBOPQZLJGHK-FQEVSTJZSA-N 0 2 424.526 3.635 20 0 HHADLN CN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCC(C)(C)CC1 ZINC000476683096 997223094 /nfs/dbraw/zinc/22/30/94/997223094.db2.gz CKWYCTRNJKQJGZ-UHFFFAOYSA-N 0 2 407.561 3.985 20 0 HHADLN C[C@@H](CNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)Cc1cccs1 ZINC000476685770 997225724 /nfs/dbraw/zinc/22/57/24/997225724.db2.gz FYJHCEZZCXTCDI-CYBMUJFWSA-N 0 2 421.569 3.614 20 0 HHADLN CC(C)C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000476701940 997243873 /nfs/dbraw/zinc/24/38/73/997243873.db2.gz NMUTYRMOFDFMKI-OAHLLOKOSA-N 0 2 407.561 3.842 20 0 HHADLN C[C@@H](c1ccco1)N(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC1 ZINC000476742362 997293938 /nfs/dbraw/zinc/29/39/38/997293938.db2.gz GKWOYUBPDGIPCO-ZDUSSCGKSA-N 0 2 417.512 3.903 20 0 HHADLN COc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476751286 997307521 /nfs/dbraw/zinc/30/75/21/997307521.db2.gz YVUUUAUSOCXFEK-UHFFFAOYSA-N 0 2 423.903 3.858 20 0 HHADLN Cc1csc([C@@H](C)NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)n1 ZINC000485010559 997375082 /nfs/dbraw/zinc/37/50/82/997375082.db2.gz WXDAUDUGZZLMAR-LLVKDONJSA-N 0 2 423.545 3.592 20 0 HHADLN CCn1ncc2ccc(NS(=O)(=O)c3cc(Br)c(F)cc3F)cc21 ZINC000485050138 997415197 /nfs/dbraw/zinc/41/51/97/997415197.db2.gz NHAVOPRUSWOJID-UHFFFAOYSA-N 0 2 416.247 3.898 20 0 HHADLN Cc1ccc(-c2nsc(NS(=O)(=O)c3ccc(OC(C)C)c(C)c3)n2)s1 ZINC000476873727 997451275 /nfs/dbraw/zinc/45/12/75/997451275.db2.gz PPLMMHQATMRCLE-UHFFFAOYSA-N 0 2 409.558 3.893 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(F)cc2Cl)nc1C(C)(C)C ZINC000476943971 997560204 /nfs/dbraw/zinc/56/02/04/997560204.db2.gz WEQWBHQYFDXFAM-UHFFFAOYSA-N 0 2 406.888 3.821 20 0 HHADLN CC(=O)N1CCc2cc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)ccc21 ZINC000485318052 997728940 /nfs/dbraw/zinc/72/89/40/997728940.db2.gz KYRDYIYDTCVMCZ-UHFFFAOYSA-N 0 2 402.369 3.554 20 0 HHADLN CN(Cc1cccs1)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485362717 997787500 /nfs/dbraw/zinc/78/75/00/997787500.db2.gz PMSYBPBTSIAMJS-UHFFFAOYSA-N 0 2 408.530 3.669 20 0 HHADLN CCOc1ccccc1NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485366662 997792380 /nfs/dbraw/zinc/79/23/80/997792380.db2.gz NZAPGGCYLYXAFC-UHFFFAOYSA-N 0 2 418.500 3.987 20 0 HHADLN O=C(NCc1cc(F)ccc1F)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485368362 997793317 /nfs/dbraw/zinc/79/33/17/997793317.db2.gz PHFCJHRAVFTWMR-UHFFFAOYSA-N 0 2 424.454 3.544 20 0 HHADLN C[C@H]1CC(NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C[C@H](C)C1 ZINC000485381349 997809400 /nfs/dbraw/zinc/80/94/00/997809400.db2.gz JMJSNTKLOWMEQP-CHWSQXEVSA-N 0 2 408.549 3.890 20 0 HHADLN C[C@@H]1CC[C@H](NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)[C@@H](C)C1 ZINC000485383128 997810689 /nfs/dbraw/zinc/81/06/89/997810689.db2.gz MDHKMNPJKCWQOD-WWGRRREGSA-N 0 2 408.549 3.890 20 0 HHADLN O=S(=O)(Nc1cccc2c1OCCO2)c1cc(Cl)ccc1Br ZINC000485393047 997821486 /nfs/dbraw/zinc/82/14/86/997821486.db2.gz YEKASVGTXDSKIK-UHFFFAOYSA-N 0 2 404.669 3.675 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)c(OCC(=O)N(C)C)c1 ZINC000485397778 997826352 /nfs/dbraw/zinc/82/63/52/997826352.db2.gz CEQREPZFPQTBGP-UHFFFAOYSA-N 0 2 417.314 3.570 20 0 HHADLN COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(NC(C)=O)c2ccccc21 ZINC000477242869 997915572 /nfs/dbraw/zinc/91/55/72/997915572.db2.gz JBGSVHPAUBCSRG-UHFFFAOYSA-N 0 2 416.430 3.525 20 0 HHADLN CC[C@@H](OC1CCCC1)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485489967 997942368 /nfs/dbraw/zinc/94/23/68/997942368.db2.gz MPHPHAXXXJFIOK-MRXNPFEDSA-N 0 2 409.533 3.620 20 0 HHADLN CCOc1ccccc1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485497638 997952426 /nfs/dbraw/zinc/95/24/26/997952426.db2.gz VBZHPAWLLQMFQY-UHFFFAOYSA-N 0 2 403.485 3.595 20 0 HHADLN CC(C)c1c(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cnn1-c1ccccc1 ZINC000486092925 998541072 /nfs/dbraw/zinc/54/10/72/998541072.db2.gz SINHQKNJDLBVMR-UHFFFAOYSA-N 0 2 413.425 3.555 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C(C)C)c1C ZINC000486104022 998550852 /nfs/dbraw/zinc/55/08/52/998550852.db2.gz AHDPQKDKKGZSIW-UHFFFAOYSA-N 0 2 407.536 3.948 20 0 HHADLN CCCc1nc(C)c(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)s1 ZINC000486109211 998556253 /nfs/dbraw/zinc/55/62/53/998556253.db2.gz JVMXLMAEITYNFQ-UHFFFAOYSA-N 0 2 411.524 3.580 20 0 HHADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C(C)C)c1 ZINC000486108631 998556324 /nfs/dbraw/zinc/55/63/24/998556324.db2.gz MANVCWVGOKCCFA-UHFFFAOYSA-N 0 2 411.499 3.779 20 0 HHADLN CC(=O)c1ccc(S(=O)(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)cc1 ZINC000486543975 998816962 /nfs/dbraw/zinc/81/69/62/998816962.db2.gz IMPCFNWYMBYJOX-UHFFFAOYSA-N 0 2 411.270 3.578 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n(-c2cc(C)ccn2)n1 ZINC000486551732 998821780 /nfs/dbraw/zinc/82/17/80/998821780.db2.gz VASHJLSIQBCYED-UHFFFAOYSA-N 0 2 414.384 3.843 20 0 HHADLN Cn1nc(-c2ccsc2)cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000486553024 998822277 /nfs/dbraw/zinc/82/22/77/998822277.db2.gz XYRMFYJXZDHWFT-UHFFFAOYSA-N 0 2 424.507 3.693 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nc(CCC(=O)OC)cs2)c2ccccc12 ZINC000486566626 998830281 /nfs/dbraw/zinc/83/02/81/998830281.db2.gz YPMYNAXOWZYXFH-UHFFFAOYSA-N 0 2 420.512 3.601 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(Cc2ccc(C)cc2)s1 ZINC000486576204 998836807 /nfs/dbraw/zinc/83/68/07/998836807.db2.gz PNGBYBPIZWJJPF-UHFFFAOYSA-N 0 2 409.920 3.900 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ncc(Cc2cccc(C)c2Cl)s1 ZINC000486581032 998839125 /nfs/dbraw/zinc/83/91/25/998839125.db2.gz YNINBIHUFIATGW-UHFFFAOYSA-N 0 2 410.952 3.847 20 0 HHADLN Cc1ccc(NC(=O)CNC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)c(Cl)c1 ZINC000478261212 998851353 /nfs/dbraw/zinc/85/13/53/998851353.db2.gz OKNUNJJOOZRTSP-UHFFFAOYSA-N 0 2 419.268 3.562 20 0 HHADLN O=C(COc1ccc(Oc2ccccn2)cc1)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000478316948 998883510 /nfs/dbraw/zinc/88/35/10/998883510.db2.gz UEINHZZYDKQVAZ-UHFFFAOYSA-N 0 2 423.379 3.955 20 0 HHADLN CC(=O)N[C@@H](CC(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccc(Cl)cc1 ZINC000478318280 998884437 /nfs/dbraw/zinc/88/44/37/998884437.db2.gz XILBMAYCOLNFRW-HNNXBMFYSA-N 0 2 419.819 3.609 20 0 HHADLN CC(C)NC(=O)Nc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1 ZINC000478319924 998885857 /nfs/dbraw/zinc/88/58/57/998885857.db2.gz JWMCOFMATNXNNM-UHFFFAOYSA-N 0 2 400.389 3.532 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000486803441 998946983 /nfs/dbraw/zinc/94/69/83/998946983.db2.gz YHGNEFVYGUFAKF-UHFFFAOYSA-N 0 2 424.475 3.616 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2nnc(C(CC)CC)s2)c1 ZINC000486872507 998983783 /nfs/dbraw/zinc/98/37/83/998983783.db2.gz YRRXHIHKWCDFEL-UHFFFAOYSA-N 0 2 401.485 3.558 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000487017063 999037875 /nfs/dbraw/zinc/03/78/75/999037875.db2.gz UPZDSQCAWSTNOG-UHFFFAOYSA-N 0 2 405.458 3.688 20 0 HHADLN COc1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)c(OC)c(C)c1OC ZINC000478699783 999095084 /nfs/dbraw/zinc/09/50/84/999095084.db2.gz LAHQYZXPMURHFL-UHFFFAOYSA-N 0 2 405.394 3.840 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)Nc1ccn(CC(F)(F)F)n1 ZINC000487204409 999096089 /nfs/dbraw/zinc/09/60/89/999096089.db2.gz UNJNMODXXPOCIM-UHFFFAOYSA-N 0 2 402.789 3.683 20 0 HHADLN Cc1cnn(Cc2ccccc2F)c1NS(=O)(=O)c1ccc2ncsc2c1 ZINC000479156916 999300865 /nfs/dbraw/zinc/30/08/65/999300865.db2.gz MNGAVDUJTFEUGP-UHFFFAOYSA-N 0 2 402.476 3.789 20 0 HHADLN CC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)cc1 ZINC000488279365 999421631 /nfs/dbraw/zinc/42/16/31/999421631.db2.gz CGKMSKDHBOZCIY-CQSZACIVSA-N 0 2 409.891 3.759 20 0 HHADLN Cc1cccc(F)c1S(=O)(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000479486679 999439226 /nfs/dbraw/zinc/43/92/26/999439226.db2.gz CJUYYWKSHVXMKU-UHFFFAOYSA-N 0 2 400.479 3.920 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)c(Cl)c1 ZINC000479491907 999442540 /nfs/dbraw/zinc/44/25/40/999442540.db2.gz RJEKOPBXUZYLEH-LBPRGKRZSA-N 0 2 424.954 3.506 20 0 HHADLN Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(Br)cc3F)c2)no1 ZINC000479500569 999446441 /nfs/dbraw/zinc/44/64/41/999446441.db2.gz UWCSUDXJCYUQSU-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN Cc1coc(-c2ccc(C)c(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)c2)n1 ZINC000479505582 999448710 /nfs/dbraw/zinc/44/87/10/999448710.db2.gz SCXXQCARAACEFS-UHFFFAOYSA-N 0 2 400.382 3.518 20 0 HHADLN COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccccc1C(=O)c1ccccc1 ZINC000479509502 999451333 /nfs/dbraw/zinc/45/13/33/999451333.db2.gz JHIOIDAXOAOYQG-UHFFFAOYSA-N 0 2 424.478 3.685 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000479514359 999453914 /nfs/dbraw/zinc/45/39/14/999453914.db2.gz OMNIKRAVMAGQHN-UHFFFAOYSA-N 0 2 418.496 3.818 20 0 HHADLN CC(C)(C)c1nc2cc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)ccc2o1 ZINC000479518942 999456446 /nfs/dbraw/zinc/45/64/46/999456446.db2.gz SZMOTXUIUUVTPE-UHFFFAOYSA-N 0 2 402.398 3.685 20 0 HHADLN COc1cccc(Cn2ccc3ccc(NS(=O)(=O)c4c(C)nn(C)c4C)cc32)c1 ZINC000479519589 999456966 /nfs/dbraw/zinc/45/69/66/999456966.db2.gz XBPGWSKCRKLPPQ-UHFFFAOYSA-N 0 2 424.526 3.849 20 0 HHADLN Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3ccc(Br)cc3F)c2C)o1 ZINC000479531182 999463402 /nfs/dbraw/zinc/46/34/02/999463402.db2.gz VWVTXKSBDUMUED-UHFFFAOYSA-N 0 2 414.256 3.989 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccc2c(c1)CCCO2 ZINC000488390549 999471295 /nfs/dbraw/zinc/47/12/95/999471295.db2.gz APODAKWAIGSTCQ-UHFFFAOYSA-N 0 2 421.931 3.908 20 0 HHADLN CCCCOc1ccc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)cn1 ZINC000479566849 999480854 /nfs/dbraw/zinc/48/08/54/999480854.db2.gz WVPMMXYPDMQCPI-UHFFFAOYSA-N 0 2 415.874 3.812 20 0 HHADLN CO[C@@H]1CCC[C@@H](CC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)C1 ZINC000479968403 999668151 /nfs/dbraw/zinc/66/81/51/999668151.db2.gz VHVDFBGPIGVQNI-ZYHUDNBSSA-N 0 2 411.275 3.907 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c(C)c1 ZINC000479996932 999680147 /nfs/dbraw/zinc/68/01/47/999680147.db2.gz YWLGTGHLASMYRF-UHFFFAOYSA-N 0 2 423.903 3.754 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000480004298 999682955 /nfs/dbraw/zinc/68/29/55/999682955.db2.gz OVKSKZDILUNLSK-UHFFFAOYSA-N 0 2 422.919 3.642 20 0 HHADLN COc1ccc2c(c1)c(C(=O)NCCCc1n[nH]c(=O)[nH]1)c(C)n2C1CCCCC1 ZINC000480034211 999695399 /nfs/dbraw/zinc/69/53/99/999695399.db2.gz KDNYEPCWNAACFG-UHFFFAOYSA-N 0 2 411.506 3.650 20 0 HHADLN O=S(=O)(Nc1noc(COc2ccc(F)cc2)n1)c1ccccc1C(F)(F)F ZINC000480078459 999711361 /nfs/dbraw/zinc/71/13/61/999711361.db2.gz WIQWVTNIYPJARE-UHFFFAOYSA-N 0 2 417.340 3.607 20 0 HHADLN Cc1nc(C2(NC(=O)N=c3nc(-c4ccccc4Cl)[nH]s3)CCCCC2)no1 ZINC000480117354 999721593 /nfs/dbraw/zinc/72/15/93/999721593.db2.gz ASFVHHLSTQSZSA-UHFFFAOYSA-N 0 2 418.910 3.953 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000480176255 999737115 /nfs/dbraw/zinc/73/71/15/999737115.db2.gz GICNUSLXJSNWMW-CZUORRHYSA-N 0 2 418.881 3.759 20 0 HHADLN Cn1c2ccc(S(=O)(=O)Nc3nc4c(s3)C[C@H](C(C)(C)C)CC4)cc2oc1=O ZINC000480207877 999745565 /nfs/dbraw/zinc/74/55/65/999745565.db2.gz URTMDHOUTCMFGX-LLVKDONJSA-N 0 2 421.544 3.540 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000480233979 999752331 /nfs/dbraw/zinc/75/23/31/999752331.db2.gz QYMSZZHJKOMUGS-GXTWGEPZSA-N 0 2 418.569 3.721 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1C(C)C ZINC000480233389 999752348 /nfs/dbraw/zinc/75/23/48/999752348.db2.gz VNZRBOCISYTBII-UHFFFAOYSA-N 0 2 404.536 3.516 20 0 HHADLN Cc1nn(C)c2ncc(S(=O)(=O)Nc3nc4c(s3)C[C@@H](C(C)(C)C)CC4)cc12 ZINC000480234444 999752527 /nfs/dbraw/zinc/75/25/27/999752527.db2.gz RVUCIWXGANYAAY-LBPRGKRZSA-N 0 2 419.576 3.685 20 0 HHADLN CCc1c(NS(=O)(=O)c2cc(OC)cc(OC)c2)cnn1-c1cccc(Cl)c1 ZINC000480235425 999752855 /nfs/dbraw/zinc/75/28/55/999752855.db2.gz XLAKTJKCHWJMBG-UHFFFAOYSA-N 0 2 421.906 3.906 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)c1C ZINC000480241810 999754335 /nfs/dbraw/zinc/75/43/35/999754335.db2.gz OVCHYWXEFIJEQJ-UHFFFAOYSA-N 0 2 401.536 3.938 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cnn(-c3cc(Cl)ccc3OC)c2)c1C ZINC000480254103 999757084 /nfs/dbraw/zinc/75/70/84/999757084.db2.gz WODDXWPBKAXMLL-LBPRGKRZSA-N 0 2 423.926 3.811 20 0 HHADLN CC(C)(C)OC1CC(CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000490018784 999878590 /nfs/dbraw/zinc/87/85/90/999878590.db2.gz HTDPEDYINCNQJN-UHFFFAOYSA-N 0 2 423.560 3.866 20 0 HHADLN Cc1ccccc1C(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000490036588 999882345 /nfs/dbraw/zinc/88/23/45/999882345.db2.gz YZGHOMXGIBZPDO-UHFFFAOYSA-N 0 2 416.528 3.564 20 0 HHADLN CC(C)(C)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000490088582 999891282 /nfs/dbraw/zinc/89/12/82/999891282.db2.gz PNZQJIWFSDOPDL-UHFFFAOYSA-N 0 2 416.528 3.889 20 0 HHADLN C[C@@H](CCC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccccc1 ZINC000490090461 999891735 /nfs/dbraw/zinc/89/17/35/999891735.db2.gz QOCZLBCEPFSRSD-AWEZNQCLSA-N 0 2 416.528 3.861 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(Cl)c(F)c(Cl)c2)cnn1-c1ccccn1 ZINC000491593678 1000087205 /nfs/dbraw/zinc/08/72/05/1000087205.db2.gz IFRLTFVDVOYNEO-UHFFFAOYSA-N 0 2 401.250 3.822 20 0 HHADLN CCc1c(NS(=O)(=O)c2cc(C(=O)OC)cc(C)c2C)cnn1CCC(C)C ZINC000491594851 1000087429 /nfs/dbraw/zinc/08/74/29/1000087429.db2.gz UOFBIVIOXGNNFX-UHFFFAOYSA-N 0 2 407.536 3.696 20 0 HHADLN Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc4nc(-c5ccccc5)[nH]c4c3)cc12 ZINC000491595037 1000087599 /nfs/dbraw/zinc/08/75/99/1000087599.db2.gz WFTZFRQTMPBLSF-UHFFFAOYSA-N 0 2 418.482 3.621 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000493993077 1000256864 /nfs/dbraw/zinc/25/68/64/1000256864.db2.gz HVQRZOHUTIEMBB-UHFFFAOYSA-N 0 2 416.480 3.838 20 0 HHADLN Cc1cnn(CCC(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)c1 ZINC000505176232 1000597704 /nfs/dbraw/zinc/59/77/04/1000597704.db2.gz IAXGRHCFGYSUQX-UHFFFAOYSA-N 0 2 405.483 3.953 20 0 HHADLN CC(C)(C)C(=O)NCCC(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000505266518 1000657350 /nfs/dbraw/zinc/65/73/50/1000657350.db2.gz WBLHSHNLTOXGER-UHFFFAOYSA-N 0 2 424.526 3.910 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NCCc2ccc(-c3csc(C)n3)cc2)cn1 ZINC000494893425 1000716205 /nfs/dbraw/zinc/71/62/05/1000716205.db2.gz WPAVAEVMVZWEMU-UHFFFAOYSA-N 0 2 406.515 3.698 20 0 HHADLN Cc1c(Cl)cccc1C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1 ZINC000495096271 1000838542 /nfs/dbraw/zinc/83/85/42/1000838542.db2.gz AMNMHVZWZUDCII-UHFFFAOYSA-N 0 2 408.892 3.553 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)=N1 ZINC000505710207 1000987153 /nfs/dbraw/zinc/98/71/53/1000987153.db2.gz CWSLDHMEUQTTFO-GOSISDBHSA-N 0 2 415.387 3.597 20 0 HHADLN O=C(CCCNC(=O)C1CC1)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000505751906 1001006536 /nfs/dbraw/zinc/00/65/36/1001006536.db2.gz AWHVPJNKFYQASI-UHFFFAOYSA-N 0 2 422.510 3.664 20 0 HHADLN Cc1cc([C@H]2CN(C(=O)C3=NN(c4ccc(F)cc4C)CC3=O)CCO2)ccc1F ZINC000497346339 1001302147 /nfs/dbraw/zinc/30/21/47/1001302147.db2.gz YFUVRYKHALPHEQ-HXUWFJFHSA-N 0 2 413.424 3.687 20 0 HHADLN Cc1nncn1-c1cccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 ZINC000497430882 1001360946 /nfs/dbraw/zinc/36/09/46/1001360946.db2.gz KLGSLMCVRJDPJR-UHFFFAOYSA-N 0 2 423.274 3.981 20 0 HHADLN COc1ccc(C(=O)N2CCCC2)cc1NS(=O)(=O)c1csc2ccccc21 ZINC000506617103 1001472378 /nfs/dbraw/zinc/47/23/78/1001472378.db2.gz NYGLLBBSUSWZRX-UHFFFAOYSA-N 0 2 416.524 3.947 20 0 HHADLN O=S(=O)(Nc1ccc(Oc2ccccc2)nc1)c1cncc(Br)c1 ZINC000506711957 1001502301 /nfs/dbraw/zinc/50/23/01/1001502301.db2.gz VRQCWGGMPYDNJP-UHFFFAOYSA-N 0 2 406.261 3.832 20 0 HHADLN CCCCOc1ccc(OC)cc1NS(=O)(=O)c1cc(COC)ccc1OC ZINC000506732768 1001508572 /nfs/dbraw/zinc/50/85/72/1001508572.db2.gz AGRUVZSEKZMVOY-UHFFFAOYSA-N 0 2 409.504 3.830 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2ccoc2)c(C(F)(F)F)c1)c1ccoc1 ZINC000506833748 1001556402 /nfs/dbraw/zinc/55/64/02/1001556402.db2.gz UOKVUVADUVWBTQ-UHFFFAOYSA-N 0 2 400.334 3.945 20 0 HHADLN CCOC(=O)c1oc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)nc1C ZINC000506836035 1001557729 /nfs/dbraw/zinc/55/77/29/1001557729.db2.gz SIASYOFCWURSPZ-UHFFFAOYSA-N 0 2 412.773 3.633 20 0 HHADLN COC(=O)c1nccc2c1cccc2S(=O)(=O)Nc1cc(C)cc2cccnc21 ZINC000506994885 1001753741 /nfs/dbraw/zinc/75/37/41/1001753741.db2.gz NKWYZEFGPZLLHS-UHFFFAOYSA-N 0 2 407.451 3.679 20 0 HHADLN CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1Cl ZINC000507012980 1001764121 /nfs/dbraw/zinc/76/41/21/1001764121.db2.gz OEUOEMCQMHRWQL-UHFFFAOYSA-N 0 2 402.303 3.575 20 0 HHADLN COc1cc(Br)cc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)c1 ZINC000498488935 1001915702 /nfs/dbraw/zinc/91/57/02/1001915702.db2.gz KVTRMNFCWCWGOS-UHFFFAOYSA-N 0 2 422.304 3.503 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C)ccc2F)cc1Oc1ccc(C)nn1 ZINC000498509911 1001932685 /nfs/dbraw/zinc/93/26/85/1001932685.db2.gz MWVPDCQTMSOGOV-UHFFFAOYSA-N 0 2 403.435 3.834 20 0 HHADLN C[C@@H]1CN(Cc2cccc(NC(=O)c3nc[nH]c3C(=O)c3ccccc3)c2)C[C@H](C)O1 ZINC000498634199 1002036271 /nfs/dbraw/zinc/03/62/71/1002036271.db2.gz APZWHVWRJCNOAU-CALCHBBNSA-N 0 2 418.497 3.502 20 0 HHADLN C[C@@H]1CN(Cc2cccc(NC(=O)c3[nH]cnc3C(=O)c3ccccc3)c2)C[C@H](C)O1 ZINC000498634199 1002036277 /nfs/dbraw/zinc/03/62/77/1002036277.db2.gz APZWHVWRJCNOAU-CALCHBBNSA-N 0 2 418.497 3.502 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N(C)CCCc3cc(-c4ccccc4)n[nH]3)c[nH]c2n1 ZINC000507408777 1002055427 /nfs/dbraw/zinc/05/54/27/1002055427.db2.gz ZLYHCAMEWRDGCX-UHFFFAOYSA-N 0 2 401.470 3.739 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000507567703 1002172090 /nfs/dbraw/zinc/17/20/90/1002172090.db2.gz RFRBFAUFUOZPSB-UHFFFAOYSA-N 0 2 416.402 3.960 20 0 HHADLN CCc1cc(NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)ccc1F ZINC000507581341 1002186178 /nfs/dbraw/zinc/18/61/78/1002186178.db2.gz IYFWIDPJSRATAV-UHFFFAOYSA-N 0 2 412.552 3.955 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(F)c(C(C)=O)c1 ZINC000507620774 1002225240 /nfs/dbraw/zinc/22/52/40/1002225240.db2.gz LWASXYZVUOAASB-UHFFFAOYSA-N 0 2 407.444 3.830 20 0 HHADLN O=S(=O)(Nc1ccc2nc(C(F)F)sc2c1)c1cnn(C2CCOCC2)c1 ZINC000507646680 1002247017 /nfs/dbraw/zinc/24/70/17/1002247017.db2.gz ZFMINJWGFWESJY-UHFFFAOYSA-N 0 2 414.459 3.583 20 0 HHADLN Cc1nc(CN(C)C(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)cs1 ZINC000498989884 1002373180 /nfs/dbraw/zinc/37/31/80/1002373180.db2.gz INPROFUNXDZLKA-UHFFFAOYSA-N 0 2 421.569 3.894 20 0 HHADLN CC(C)(C)c1cc(CS(=O)(=O)Nc2cc(F)c(Br)c(F)c2)no1 ZINC000507880058 1002412128 /nfs/dbraw/zinc/41/21/28/1002412128.db2.gz VKPXZGDBOJOETM-UHFFFAOYSA-N 0 2 409.252 3.955 20 0 HHADLN COC(=O)[C@@H](CS(=O)(=O)Nc1sc(-c2ccccc2)nc1C)c1ccccc1 ZINC000507948528 1002482199 /nfs/dbraw/zinc/48/21/99/1002482199.db2.gz CUTDJJFBSCNSLC-KRWDZBQOSA-N 0 2 416.524 3.817 20 0 HHADLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3csc(-c4ccccn4)n3)cc(Cl)c2O1 ZINC000508066756 1002588021 /nfs/dbraw/zinc/58/80/21/1002588021.db2.gz FEZNGGZXFLFLJC-SNVBAGLBSA-N 0 2 407.904 3.983 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc2c(s1)c(Cl)ccc2C ZINC000508074670 1002595999 /nfs/dbraw/zinc/59/59/99/1002595999.db2.gz RRZNCNUXRBQQJK-UHFFFAOYSA-N 0 2 414.867 3.985 20 0 HHADLN CN1C(=O)CC[C@H](C(=O)Nc2ccc3nn[nH]c3c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000508092646 1002616658 /nfs/dbraw/zinc/61/66/58/1002616658.db2.gz GIVITULQZURIMQ-KSSFIOAISA-N 0 2 417.391 3.525 20 0 HHADLN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1ccc(OC(F)F)c(F)c1 ZINC000508105903 1002631463 /nfs/dbraw/zinc/63/14/63/1002631463.db2.gz ZIFFGLMISNAIOZ-UHFFFAOYSA-N 0 2 408.423 3.578 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(Br)c2)o1)c1ccc(F)cc1F ZINC000508108496 1002634439 /nfs/dbraw/zinc/63/44/39/1002634439.db2.gz DEQNYQMGSUYUAS-UHFFFAOYSA-N 0 2 416.203 3.578 20 0 HHADLN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1ccccc1OC(F)(F)F ZINC000508109829 1002635692 /nfs/dbraw/zinc/63/56/92/1002635692.db2.gz MKAHQQPBMRKSMH-UHFFFAOYSA-N 0 2 408.423 3.737 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)o2)sc1C ZINC000508110270 1002636386 /nfs/dbraw/zinc/63/63/86/1002636386.db2.gz PIYMACQCNYIGGK-UHFFFAOYSA-N 0 2 414.306 3.978 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(Br)c2)o1)c1ccc(F)c(F)c1 ZINC000508112780 1002641096 /nfs/dbraw/zinc/64/10/96/1002641096.db2.gz NWKFCEIBLCZZEY-UHFFFAOYSA-N 0 2 416.203 3.578 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2nnc(-c3cccc(OC(F)F)c3)o2)s1 ZINC000508134406 1002666728 /nfs/dbraw/zinc/66/67/28/1002666728.db2.gz VBURMJUKOYQFKV-UHFFFAOYSA-N 0 2 401.416 3.763 20 0 HHADLN CC(C)Cn1ncc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1C(C)C ZINC000499263965 1002667042 /nfs/dbraw/zinc/66/70/42/1002667042.db2.gz HCAHZRWWLUDFMV-UHFFFAOYSA-N 0 2 404.536 3.738 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccccc3CCC(F)(F)F)cnc2c1Cl ZINC000499282452 1002692904 /nfs/dbraw/zinc/69/29/04/1002692904.db2.gz UNIGKNGPZYETLX-UHFFFAOYSA-N 0 2 418.828 3.987 20 0 HHADLN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2cccc3c2OCCC3)c1 ZINC000499287426 1002698123 /nfs/dbraw/zinc/69/81/23/1002698123.db2.gz TVCSKHSVQUKCFQ-UHFFFAOYSA-N 0 2 411.321 3.641 20 0 HHADLN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)s1 ZINC000508187521 1002722055 /nfs/dbraw/zinc/72/20/55/1002722055.db2.gz OLPQHKARFFFIQI-UHFFFAOYSA-N 0 2 423.829 3.710 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nnc(CC(C)(C)C)o1 ZINC000508199769 1002734203 /nfs/dbraw/zinc/73/42/03/1002734203.db2.gz RUZSAJYBUVWZBJ-UHFFFAOYSA-N 0 2 422.290 3.552 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(C(F)(F)F)c(F)c1 ZINC000508248783 1002771163 /nfs/dbraw/zinc/77/11/63/1002771163.db2.gz PIQYDDMRVYWGPK-UHFFFAOYSA-N 0 2 405.304 3.834 20 0 HHADLN Cc1c(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)nnn1-c1ccccc1Cl ZINC000508359288 1002859584 /nfs/dbraw/zinc/85/95/84/1002859584.db2.gz NGTKYYXAHUKCHC-UHFFFAOYSA-N 0 2 414.256 3.920 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2c(C)cc(C)cc2OC)c1OC(C)C ZINC000499492899 1002880413 /nfs/dbraw/zinc/88/04/13/1002880413.db2.gz DROBDNSAGSHNEN-UHFFFAOYSA-N 0 2 407.488 3.687 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCC[C@H](Oc4ncccc4F)C3)=N2)c1 ZINC000508483114 1002967435 /nfs/dbraw/zinc/96/74/35/1002967435.db2.gz IAWYUIGKYDGJCJ-SFHVURJKSA-N 0 2 424.476 3.919 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC(Cc4cccc(F)c4)CC3)=N2)cc1 ZINC000499641493 1003006232 /nfs/dbraw/zinc/00/62/32/1003006232.db2.gz OZYOKJYMBHBYGJ-UHFFFAOYSA-N 0 2 409.461 3.821 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1nnc(-c2cccc(C(F)(F)F)c2)n1C ZINC000508533757 1003010565 /nfs/dbraw/zinc/01/05/65/1003010565.db2.gz BVDHAKPUUREJEK-UHFFFAOYSA-N 0 2 420.420 3.848 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(C)[C@H]3CCCc4cc(OC)ccc43)=N2)cc1 ZINC000499648639 1003011554 /nfs/dbraw/zinc/01/15/54/1003011554.db2.gz NFKHWBAHGNOGEY-FQEVSTJZSA-N 0 2 407.470 3.745 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](C)c3ccc(OC(F)F)cc3)=N2)cc1 ZINC000499714715 1003063227 /nfs/dbraw/zinc/06/32/27/1003063227.db2.gz OUZINOIGVPABDT-LBPRGKRZSA-N 0 2 403.385 3.679 20 0 HHADLN CCc1nc2c(s1)[C@H](N(C)C(=O)C1=NN(c3ccc(F)cc3)CC1=O)CCC2 ZINC000499878975 1003214928 /nfs/dbraw/zinc/21/49/28/1003214928.db2.gz ZLVXIZVGWUADMA-OAHLLOKOSA-N 0 2 400.479 3.886 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](C)c3nc(-c4ccncc4)cs3)=N2)cc1 ZINC000499979900 1003295112 /nfs/dbraw/zinc/29/51/12/1003295112.db2.gz FBXWRZNFLCKBDD-CYBMUJFWSA-N 0 2 421.482 3.596 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCC(CN2CCc3ccccc32)CC1 ZINC000499984571 1003298098 /nfs/dbraw/zinc/29/80/98/1003298098.db2.gz VOGMNUVNTXBLJH-UHFFFAOYSA-N 0 2 420.488 3.632 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H]3CCCO[C@@H]3c3ccc(C)cc3)=N2)cc1 ZINC000500150333 1003507055 /nfs/dbraw/zinc/50/70/55/1003507055.db2.gz UPIFKTKFWQLADR-SIKLNZKXSA-N 0 2 407.470 3.545 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CC[C@H](OCCCc2ccccc2)C1 ZINC000500164810 1003518332 /nfs/dbraw/zinc/51/83/32/1003518332.db2.gz RECKBDLLBAQSBA-FQEVSTJZSA-N 0 2 409.461 3.581 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000509062571 1003524885 /nfs/dbraw/zinc/52/48/85/1003524885.db2.gz AQRMVSQMSJFYER-INIZCTEOSA-N 0 2 409.479 3.810 20 0 HHADLN COC(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000509063837 1003526672 /nfs/dbraw/zinc/52/66/72/1003526672.db2.gz HOMDDYHCCYNHKE-UHFFFAOYSA-N 0 2 400.456 3.609 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc(OCCO)cc1C(F)(F)F ZINC000509076701 1003535829 /nfs/dbraw/zinc/53/58/29/1003535829.db2.gz XSEIKBPIAOLKHQ-UHFFFAOYSA-N 0 2 419.421 3.503 20 0 HHADLN O=S(=O)(C[C@H]1CCCC(F)(F)C1)c1n[nH]c(-c2ccccc2Br)n1 ZINC000509146727 1003584684 /nfs/dbraw/zinc/58/46/84/1003584684.db2.gz LLTRFJRZOGZRLZ-JTQLQIEISA-N 0 2 420.279 3.833 20 0 HHADLN COc1cc(C)c(NS(=O)(=O)c2cc(Br)ccc2F)cc1OC ZINC000500294270 1003604168 /nfs/dbraw/zinc/60/41/68/1003604168.db2.gz DUFSPDIHOFHGJA-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)cn1 ZINC000509215512 1003629529 /nfs/dbraw/zinc/62/95/29/1003629529.db2.gz AGSHYYSWGKLBGQ-UHFFFAOYSA-N 0 2 403.407 3.742 20 0 HHADLN Cc1ccc(CN2CCSCC2)cc1NS(=O)(=O)c1cnc2ccccc2c1 ZINC000509220720 1003634082 /nfs/dbraw/zinc/63/40/82/1003634082.db2.gz YTMMBEWHKPUZED-UHFFFAOYSA-N 0 2 413.568 3.893 20 0 HHADLN NC(=O)CSc1ccccc1NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000509254911 1003657519 /nfs/dbraw/zinc/65/75/19/1003657519.db2.gz MCMDVXRIIMEIGW-UHFFFAOYSA-N 0 2 406.916 3.871 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccco2)o1)c1ccc(Cl)cc1Br ZINC000500467800 1003733475 /nfs/dbraw/zinc/73/34/75/1003733475.db2.gz GWIPUGQRNKQSSL-UHFFFAOYSA-N 0 2 404.629 3.546 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000509356066 1003786231 /nfs/dbraw/zinc/78/62/31/1003786231.db2.gz OGLONZZQIYMELY-UHFFFAOYSA-N 0 2 423.517 3.825 20 0 HHADLN O=C(CC(F)(F)F)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000509376446 1003805378 /nfs/dbraw/zinc/80/53/78/1003805378.db2.gz REHYVWFGYAGJMK-UHFFFAOYSA-N 0 2 412.311 3.796 20 0 HHADLN COc1cc(OC)c(NS(=O)(=O)c2cnc3ccccc3c2)cc1Br ZINC000509384325 1003814115 /nfs/dbraw/zinc/81/41/15/1003814115.db2.gz KTKIHEJCTOFXII-UHFFFAOYSA-N 0 2 423.288 3.815 20 0 HHADLN C[C@H](NC(=O)CC1CCCCC1)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000509478127 1003891503 /nfs/dbraw/zinc/89/15/03/1003891503.db2.gz UVFPIIBKJPSDKT-LBPRGKRZSA-N 0 2 406.939 3.694 20 0 HHADLN Cc1cc(C)n(-c2cccc(NS(=O)(=O)c3cnn(Cc4ccccc4)c3)c2)n1 ZINC000509534888 1003928844 /nfs/dbraw/zinc/92/88/44/1003928844.db2.gz AYZZUAPPAAMUFN-UHFFFAOYSA-N 0 2 407.499 3.535 20 0 HHADLN COc1ccc(Br)cc1NS(=O)(=O)c1ccccc1OC(F)F ZINC000509541285 1003934244 /nfs/dbraw/zinc/93/42/44/1003934244.db2.gz MHCHTQBGPCSOIW-UHFFFAOYSA-N 0 2 408.220 3.860 20 0 HHADLN O=C(c1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1)N1CCc2ccccc21 ZINC000509576490 1003955751 /nfs/dbraw/zinc/95/57/51/1003955751.db2.gz GDTRQWNDQNKSJD-UHFFFAOYSA-N 0 2 414.433 3.969 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000509618179 1003983988 /nfs/dbraw/zinc/98/39/88/1003983988.db2.gz JOZCKCFMYOYPTL-UHFFFAOYSA-N 0 2 401.465 3.567 20 0 HHADLN Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@H]1c1nc(-c3ccc(Cl)cc3)c[nH]1)c2=O ZINC000512090626 1004015439 /nfs/dbraw/zinc/01/54/39/1004015439.db2.gz PHKANDOHOVEJAS-KRWDZBQOSA-N 0 2 422.876 3.695 20 0 HHADLN CC(C)n1c2ccccc2nc1[C@@H]1CCCN1C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000512110573 1004030240 /nfs/dbraw/zinc/03/02/40/1004030240.db2.gz UMJUQUSPLLQQRW-SFHVURJKSA-N 0 2 404.474 3.582 20 0 HHADLN C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000500928002 1004057695 /nfs/dbraw/zinc/05/76/95/1004057695.db2.gz USWOKNDEMCYWNN-SECBINFHSA-N 0 2 422.247 3.675 20 0 HHADLN CC[C@@H](C)C(=O)Nc1cccc(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000509963995 1004235317 /nfs/dbraw/zinc/23/53/17/1004235317.db2.gz NXVYDIOSIBHVRI-SNVBAGLBSA-N 0 2 418.412 3.706 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)ns2)cc1Cl ZINC000512366115 1004250116 /nfs/dbraw/zinc/25/01/16/1004250116.db2.gz HWBBJJONTAFAAB-UHFFFAOYSA-N 0 2 416.311 3.743 20 0 HHADLN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@H]([N@@H+]2CCc3ccc(C(C)(C)C)cc3C2)C1=O ZINC000510125849 1004342482 /nfs/dbraw/zinc/34/24/82/1004342482.db2.gz VDLQWPQTSXRLDP-NRFANRHFSA-N 0 2 420.509 3.681 20 0 HHADLN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@H]([N@H+]2CCc3ccc(C(C)(C)C)cc3C2)C1=O ZINC000510125849 1004342490 /nfs/dbraw/zinc/34/24/90/1004342490.db2.gz VDLQWPQTSXRLDP-NRFANRHFSA-N 0 2 420.509 3.681 20 0 HHADLN COc1ccc(OC)c(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000512613146 1004426140 /nfs/dbraw/zinc/42/61/40/1004426140.db2.gz KAIGYADPPPVVBO-UHFFFAOYSA-N 0 2 405.501 3.573 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000501809294 1004750027 /nfs/dbraw/zinc/75/00/27/1004750027.db2.gz SMRRRJFMRWTFQR-UHFFFAOYSA-N 0 2 422.509 3.649 20 0 HHADLN COc1ccc(CN2C[C@@H](C(=O)Nc3cc(Cl)c(O)c(Cl)c3)CC2=O)cc1 ZINC000501987134 1004847427 /nfs/dbraw/zinc/84/74/27/1004847427.db2.gz VXLVBQSCKUEBFG-LBPRGKRZSA-N 0 2 409.269 3.695 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1F ZINC000513462284 1004977098 /nfs/dbraw/zinc/97/70/98/1004977098.db2.gz CUQHIMQEDCKHGI-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN CCC1(C(=O)N=c2nc(C(C)(C)C)[nH]s2)CCN(C(=O)c2ccccc2)CC1 ZINC000511039669 1004992986 /nfs/dbraw/zinc/99/29/86/1004992986.db2.gz GVJRCNLUCOQNST-UHFFFAOYSA-N 0 2 400.548 3.529 20 0 HHADLN O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000511713028 1005288465 /nfs/dbraw/zinc/28/84/65/1005288465.db2.gz OSBJNHRAUFKNKH-UHFFFAOYSA-N 0 2 420.412 3.835 20 0 HHADLN O=S(=O)(c1cnc2ccsc2c1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000503244412 1005375631 /nfs/dbraw/zinc/37/56/31/1005375631.db2.gz SEIRPQDXWNWTMJ-MRXNPFEDSA-N 0 2 411.512 3.607 20 0 HHADLN O=S(=O)(c1ccc2ncccc2c1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000503244511 1005375820 /nfs/dbraw/zinc/37/58/20/1005375820.db2.gz JHMFICQJFCSWCM-LJQANCHMSA-N 0 2 405.483 3.546 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2ccnn2-c2cccc(Cl)c2)cc1 ZINC000503899196 1005507234 /nfs/dbraw/zinc/50/72/34/1005507234.db2.gz DJCSDKLZOIJYKR-UHFFFAOYSA-N 0 2 421.906 3.742 20 0 HHADLN O=C1CCCc2cc(S(=O)(=O)Nc3ccnn3-c3cccc(Cl)c3)ccc2N1 ZINC000503912755 1005510729 /nfs/dbraw/zinc/51/07/29/1005510729.db2.gz VOPQKHKYLUMBME-UHFFFAOYSA-N 0 2 416.890 3.601 20 0 HHADLN O=C1CCOc2c(NS(=O)(=O)c3ccc(Br)cc3Cl)cccc21 ZINC000504025173 1005535411 /nfs/dbraw/zinc/53/54/11/1005535411.db2.gz LGNZNMLNHMCQBN-UHFFFAOYSA-N 0 2 416.680 3.869 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(C)cc2)nn1CCCOc1ccc(F)cc1 ZINC000504286863 1005589907 /nfs/dbraw/zinc/58/99/07/1005589907.db2.gz WLXFHQUHPDDTKU-UHFFFAOYSA-N 0 2 403.479 3.909 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(Br)cc3cccnc32)c(OC)c1 ZINC000514751107 1006102859 /nfs/dbraw/zinc/10/28/59/1006102859.db2.gz DQBYTXQDPZDNPI-UHFFFAOYSA-N 0 2 423.288 3.815 20 0 HHADLN COCc1cc(Cl)cc(S(=O)(=O)Nc2cc(-c3cccc(OC)c3)nn2C)c1 ZINC000514763502 1006117018 /nfs/dbraw/zinc/11/70/18/1006117018.db2.gz JYZSHPNPOWDSBR-UHFFFAOYSA-N 0 2 421.906 3.696 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)cnn1-c1ccc(Cl)cc1 ZINC000534206008 1006199017 /nfs/dbraw/zinc/19/90/17/1006199017.db2.gz BHNKWBGOPCFZLZ-GFCCVEGCSA-N 0 2 405.911 3.802 20 0 HHADLN COc1ccc(C(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c2c1C(=O)CO2 ZINC000515050812 1006267687 /nfs/dbraw/zinc/26/76/87/1006267687.db2.gz KBZFHVMUHUZXGY-UHFFFAOYSA-N 0 2 415.858 3.684 20 0 HHADLN COCCOc1ccc(S(=O)(=O)Nc2ccn(-c3ccccc3Cl)n2)cc1C ZINC000531752553 1006397569 /nfs/dbraw/zinc/39/75/69/1006397569.db2.gz DQUWKSHYCVNYRI-UHFFFAOYSA-N 0 2 421.906 3.660 20 0 HHADLN O=C(N[C@H]1CCc2ccc(F)cc21)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000531898581 1006505831 /nfs/dbraw/zinc/50/58/31/1006505831.db2.gz JFODOFXPIUFTPI-KRWDZBQOSA-N 0 2 417.487 3.500 20 0 HHADLN C[C@H](Oc1ccc(F)cc1Br)C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000515705927 1006602931 /nfs/dbraw/zinc/60/29/31/1006602931.db2.gz UOUJIEOVGHRUQD-JTQLQIEISA-N 0 2 422.279 3.935 20 0 HHADLN COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc4ccc(Cl)cc4s3)cc2)CC1 ZINC000538448082 1006714805 /nfs/dbraw/zinc/71/48/05/1006714805.db2.gz IQRYCXQMWPMVJP-UHFFFAOYSA-N 0 2 422.915 3.955 20 0 HHADLN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cc(C)oc2C)cc1 ZINC000538450279 1006718373 /nfs/dbraw/zinc/71/83/73/1006718373.db2.gz CVDSRRYJDXKWJT-UHFFFAOYSA-N 0 2 400.456 3.958 20 0 HHADLN Cc1ccc2cccc(S(=O)(=O)N3CCC[C@@H]3c3nc(-c4ccccc4)n[nH]3)c2n1 ZINC000534742727 1006732683 /nfs/dbraw/zinc/73/26/83/1006732683.db2.gz UEJYTDIQOHRABA-GOSISDBHSA-N 0 2 419.510 3.854 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)co2)cc1C(F)(F)F ZINC000516098065 1006882096 /nfs/dbraw/zinc/88/20/96/1006882096.db2.gz GIHPAVIDWMFXFE-UHFFFAOYSA-N 0 2 406.382 3.578 20 0 HHADLN COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2cn(CC(C)C)nc2C(F)F)c1 ZINC000534899663 1006930992 /nfs/dbraw/zinc/93/09/92/1006930992.db2.gz ANTQGOMUDWZBGM-UHFFFAOYSA-N 0 2 415.462 3.681 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2noc(-c3cccs3)n2)c(Cl)c1Cl ZINC000538713314 1006987608 /nfs/dbraw/zinc/98/76/08/1006987608.db2.gz KEDLOXNJCLSUMT-UHFFFAOYSA-N 0 2 406.272 3.914 20 0 HHADLN O=C(CSCc1ccc(Br)cc1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535171541 1007214387 /nfs/dbraw/zinc/21/43/87/1007214387.db2.gz DUNAQLFPQDLOCD-UHFFFAOYSA-N 0 2 421.345 3.656 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)[C@H]1C[C@@H]1c1cccc(Br)c1 ZINC000535174625 1007219055 /nfs/dbraw/zinc/21/90/55/1007219055.db2.gz OLTDFXMYPHCSTK-KGLIPLIRSA-N 0 2 401.289 3.527 20 0 HHADLN O=S(=O)(Nc1nnc(SCc2ccc(F)cc2)s1)c1cncc(Cl)c1 ZINC000532855966 1007244603 /nfs/dbraw/zinc/24/46/03/1007244603.db2.gz JCTQVIFXNWHDMJ-UHFFFAOYSA-N 0 2 416.912 3.819 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cccc3cnccc32)nc1C(C)C ZINC000535231125 1007284417 /nfs/dbraw/zinc/28/44/17/1007284417.db2.gz SCWPNNGPZWWZMK-UHFFFAOYSA-N 0 2 405.501 3.792 20 0 HHADLN C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)[C@H]2CCCC[C@@H]12 ZINC000532994119 1007364789 /nfs/dbraw/zinc/36/47/89/1007364789.db2.gz DHPJYSMKGKQLGA-JLSDUUJJSA-N 0 2 419.572 3.985 20 0 HHADLN CC(=O)N1CC[C@@H](NC(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)c2ccccc21 ZINC000535321215 1007374284 /nfs/dbraw/zinc/37/42/84/1007374284.db2.gz KOMPZKPCYLIWCY-HXUWFJFHSA-N 0 2 418.497 3.929 20 0 HHADLN CCOc1ccc(-n2c(SCc3n[nH]c(=O)[nH]3)nnc2-c2cccs2)cc1 ZINC000539250223 1007543455 /nfs/dbraw/zinc/54/34/55/1007543455.db2.gz IQNXOXRYTRQCJX-UHFFFAOYSA-N 0 2 400.489 3.511 20 0 HHADLN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC(C)C)cc1 ZINC000517362274 1007597782 /nfs/dbraw/zinc/59/77/82/1007597782.db2.gz ZRIWNOHYFHJCET-UHFFFAOYSA-N 0 2 420.531 3.765 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)c(F)c1 ZINC000517433684 1007655359 /nfs/dbraw/zinc/65/53/59/1007655359.db2.gz DBYCKHOMOTXBLZ-UHFFFAOYSA-N 0 2 419.499 3.909 20 0 HHADLN Cc1noc(CSc2ccccc2C(=O)N=c2nc(-c3ccsc3)[nH]s2)n1 ZINC000517552918 1007766252 /nfs/dbraw/zinc/76/62/52/1007766252.db2.gz FAMRWVJEHWBVHB-UHFFFAOYSA-N 0 2 415.525 3.925 20 0 HHADLN O=C(Cn1c2ccccc2nc1C(F)(F)F)N=c1nc(-c2ccsc2)[nH]s1 ZINC000517554536 1007766958 /nfs/dbraw/zinc/76/69/58/1007766958.db2.gz XIGFLBDKHFJKFZ-UHFFFAOYSA-N 0 2 409.418 3.696 20 0 HHADLN O=S(=O)(Nc1cccc(CN2CCOCC2)n1)c1ccc2oc3ccccc3c2c1 ZINC000535769487 1007781759 /nfs/dbraw/zinc/78/17/59/1007781759.db2.gz NQNABCDEIZBUOP-UHFFFAOYSA-N 0 2 423.494 3.614 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cc(F)cc(Cl)c2)nc1C(C)(C)C ZINC000535891583 1007911185 /nfs/dbraw/zinc/91/11/85/1007911185.db2.gz MFHMJLRCCOKPRL-UHFFFAOYSA-N 0 2 406.888 3.821 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1csc([C@H]2CCCO2)n1 ZINC000535917017 1007937894 /nfs/dbraw/zinc/93/78/94/1007937894.db2.gz CDQSXPQQDGKHEM-GFCCVEGCSA-N 0 2 420.292 3.795 20 0 HHADLN CCO[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1 ZINC000517909272 1008052136 /nfs/dbraw/zinc/05/21/36/1008052136.db2.gz PVSCIVSAJSPJEM-QGZVFWFLSA-N 0 2 417.512 3.660 20 0 HHADLN CCOC(=O)c1oc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)nc1C ZINC000539802933 1008105643 /nfs/dbraw/zinc/10/56/43/1008105643.db2.gz WXXATEBXPBNEJF-UHFFFAOYSA-N 0 2 400.412 3.860 20 0 HHADLN O=S(=O)(Nc1ccc(-c2cc[nH]n2)cc1)c1cc(F)c(Br)cc1F ZINC000533785371 1008107913 /nfs/dbraw/zinc/10/79/13/1008107913.db2.gz ZYXZJTDEHAYUSH-UHFFFAOYSA-N 0 2 414.231 3.918 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)c(F)c1 ZINC000518035556 1008117828 /nfs/dbraw/zinc/11/78/28/1008117828.db2.gz XFLGRGNQUSBJLN-UHFFFAOYSA-N 0 2 400.840 3.676 20 0 HHADLN O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cccc(Br)c1[O-] ZINC000539843990 1008134650 /nfs/dbraw/zinc/13/46/50/1008134650.db2.gz NWUDBOXEVOINJB-UHFFFAOYSA-N 0 2 402.248 3.683 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c(C(F)(F)C(F)(F)F)nc2c1)c1cncc(F)c1 ZINC000539856151 1008143168 /nfs/dbraw/zinc/14/31/68/1008143168.db2.gz IWFYHBKOQIIWEC-UHFFFAOYSA-N 0 2 410.299 3.552 20 0 HHADLN COc1ccc(CCC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1OC ZINC000518368443 1008278189 /nfs/dbraw/zinc/27/81/89/1008278189.db2.gz MVAXNUOQTSEGNJ-UHFFFAOYSA-N 0 2 403.891 3.869 20 0 HHADLN O=C(CC1(C(F)(F)F)CC1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000518602495 1008361736 /nfs/dbraw/zinc/36/17/36/1008361736.db2.gz WCPCWIMIDORFEU-UHFFFAOYSA-N 0 2 405.423 3.615 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)c1 ZINC000540501269 1008457720 /nfs/dbraw/zinc/45/77/20/1008457720.db2.gz IEIWTMUDBKRDAS-UHFFFAOYSA-N 0 2 412.467 3.762 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cn1C ZINC000545473555 1008580008 /nfs/dbraw/zinc/58/00/08/1008580008.db2.gz VKMGSRAONLTQND-UHFFFAOYSA-N 0 2 410.801 3.675 20 0 HHADLN CCCCCn1nc(C)cc1NS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000545474674 1008581150 /nfs/dbraw/zinc/58/11/50/1008581150.db2.gz BBUXVJCHOJVJNC-UHFFFAOYSA-N 0 2 416.341 3.954 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc([C@@H]3Cc4ccccc43)no2)cc1 ZINC000545579124 1008679860 /nfs/dbraw/zinc/67/98/60/1008679860.db2.gz CATVCAYWFRXKLV-MRXNPFEDSA-N 0 2 410.480 3.682 20 0 HHADLN O=S(=O)(Nc1ccnn1-c1cccc(Cl)c1)c1ccc(OCC(F)F)cc1 ZINC000543149273 1008723232 /nfs/dbraw/zinc/72/32/32/1008723232.db2.gz JKNZUTIOYHMKQR-UHFFFAOYSA-N 0 2 413.833 3.970 20 0 HHADLN O=C1CCCN1c1ccccc1NS(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000543161823 1008735413 /nfs/dbraw/zinc/73/54/13/1008735413.db2.gz WGQIPQIZRVTCKU-UHFFFAOYSA-N 0 2 415.446 3.549 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(F)c(Br)c1 ZINC000543166824 1008742928 /nfs/dbraw/zinc/74/29/28/1008742928.db2.gz UQNKGZZQCVCMFJ-UHFFFAOYSA-N 0 2 404.305 3.858 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCc1ccsc1Br ZINC000549234189 1008805404 /nfs/dbraw/zinc/80/54/04/1008805404.db2.gz GZIGXAVSEVLJMO-UHFFFAOYSA-N 0 2 401.336 3.834 20 0 HHADLN CCOC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000519491124 1008863466 /nfs/dbraw/zinc/86/34/66/1008863466.db2.gz BNNWZPHNRNKVPK-UHFFFAOYSA-N 0 2 407.513 3.861 20 0 HHADLN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1S(=O)(=O)Nc1ccccc1 ZINC000545923536 1008999377 /nfs/dbraw/zinc/99/93/77/1008999377.db2.gz YKKJBCKORIQDBQ-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN COCCOc1ccc(S(=O)(=O)Nc2nc(C)c(C(F)(F)F)s2)cc1C ZINC000519804841 1009016727 /nfs/dbraw/zinc/01/67/27/1009016727.db2.gz ZEHXSDPKHKQQLS-UHFFFAOYSA-N 0 2 410.439 3.605 20 0 HHADLN CCOc1ccc(Oc2cc(CNS(=O)(=O)[C@H](C)C(F)(F)F)ccn2)cc1 ZINC000546091647 1009117153 /nfs/dbraw/zinc/11/71/53/1009117153.db2.gz DGYIXSXTULMJMI-GFCCVEGCSA-N 0 2 404.410 3.643 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1nnc(CC2CC2)n1CCc1ccccc1 ZINC000549566983 1009188054 /nfs/dbraw/zinc/18/80/54/1009188054.db2.gz RVDDMLUMVNOIKP-UHFFFAOYSA-N 0 2 420.542 3.820 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(CCc3ccccc3)[C@H]3CCOC3)s[nH]2)c1 ZINC000543615207 1009219803 /nfs/dbraw/zinc/21/98/03/1009219803.db2.gz UTAXFAUMFRBOLN-SFHVURJKSA-N 0 2 424.526 3.501 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](C)[C@@H](OC)c3ccccc3F)s[nH]2)c1 ZINC000543615514 1009221015 /nfs/dbraw/zinc/22/10/15/1009221015.db2.gz WWUMESIVMKRPRK-YVEFUNNKSA-N 0 2 416.478 3.672 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCSC4(CCCCC4)C3)s[nH]2)c1 ZINC000543616234 1009221644 /nfs/dbraw/zinc/22/16/44/1009221644.db2.gz CJHUPOFEOKFBHM-UHFFFAOYSA-N 0 2 404.561 3.919 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCc4c(Cl)cccc4C3)s[nH]2)c1 ZINC000543618790 1009224883 /nfs/dbraw/zinc/22/48/83/1009224883.db2.gz LYLRBOOQUXNUSE-UHFFFAOYSA-N 0 2 400.891 3.879 20 0 HHADLN O=S(=O)(Nc1cncnc1-c1ccccc1)c1ccc(F)c(Br)c1 ZINC000543642542 1009245819 /nfs/dbraw/zinc/24/58/19/1009245819.db2.gz WBOATHGONYEPMQ-UHFFFAOYSA-N 0 2 408.252 3.846 20 0 HHADLN Cc1nc(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)nn1-c1ccc(F)cc1 ZINC000520098692 1009256240 /nfs/dbraw/zinc/25/62/40/1009256240.db2.gz LFKTYDRVHQRUAI-UHFFFAOYSA-N 0 2 414.853 3.561 20 0 HHADLN CC(C)S(=O)(=O)c1ccc(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc1 ZINC000520099994 1009258280 /nfs/dbraw/zinc/25/82/80/1009258280.db2.gz OFYZDVHQKINNEZ-UHFFFAOYSA-N 0 2 421.931 3.715 20 0 HHADLN CO[C@H](C)c1nc(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cs1 ZINC000543658872 1009266306 /nfs/dbraw/zinc/26/63/06/1009266306.db2.gz WQSJKNNCUYJASF-SECBINFHSA-N 0 2 409.924 3.766 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2[nH]nc(C)c2-c2ccc3c(c2)OCO3)c(C)c1 ZINC000543690591 1009298888 /nfs/dbraw/zinc/29/88/88/1009298888.db2.gz YYSSDMUFJZTUCL-UHFFFAOYSA-N 0 2 415.471 3.540 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc2c(c1)OC(C)(C)O2 ZINC000520238899 1009358851 /nfs/dbraw/zinc/35/88/51/1009358851.db2.gz FJUWQLNHJJBMHV-UHFFFAOYSA-N 0 2 419.480 3.996 20 0 HHADLN Oc1c(Br)cccc1-c1nc(-c2ccc(Cn3cncn3)c(F)c2)no1 ZINC000546360418 1009370265 /nfs/dbraw/zinc/37/02/65/1009370265.db2.gz GEMPQCNZFWRNOG-UHFFFAOYSA-N 0 2 416.210 3.651 20 0 HHADLN O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000549764026 1009379886 /nfs/dbraw/zinc/37/98/86/1009379886.db2.gz QCSYYSMKYSIRON-CYBMUJFWSA-N 0 2 402.376 3.614 20 0 HHADLN Cn1ccnc1SCc1ccc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)o1 ZINC000520293164 1009417235 /nfs/dbraw/zinc/41/72/35/1009417235.db2.gz WMNQQIBEJQTYDB-UHFFFAOYSA-N 0 2 403.514 3.560 20 0 HHADLN C[C@@H]1Sc2ccc(C(=O)N=c3nc(-c4ccccc4Cl)[nH]s3)cc2NC1=O ZINC000520321499 1009449771 /nfs/dbraw/zinc/44/97/71/1009449771.db2.gz WHGCXMJOSIRSFD-VIFPVBQESA-N 0 2 416.915 3.965 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(-c3nc([C@H]4C[C@H]4C)no3)ccc2F)cc1 ZINC000546479079 1009500093 /nfs/dbraw/zinc/50/00/93/1009500093.db2.gz OYCAXVDSVGRQCR-ABAIWWIYSA-N 0 2 403.435 3.809 20 0 HHADLN COC(=O)[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1cccs1 ZINC000520363299 1009500757 /nfs/dbraw/zinc/50/07/57/1009500757.db2.gz GSPSNZHNBXDRSD-LBPRGKRZSA-N 0 2 413.826 3.613 20 0 HHADLN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)c(C)c1 ZINC000544095543 1009705625 /nfs/dbraw/zinc/70/56/25/1009705625.db2.gz UOMJTWYKAVBFDT-OAHLLOKOSA-N 0 2 420.579 3.793 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(C)c(OCC(F)F)c1 ZINC000544101456 1009712043 /nfs/dbraw/zinc/71/20/43/1009712043.db2.gz ZTCDAWYAHDBILK-UHFFFAOYSA-N 0 2 401.479 3.909 20 0 HHADLN C[C@H](C(F)(F)F)S(=O)(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000546775684 1009741608 /nfs/dbraw/zinc/74/16/08/1009741608.db2.gz KCFHLCGNXIMOBN-OAHLLOKOSA-N 0 2 423.460 3.969 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)n(-c2ccc(Cl)cc2)n1 ZINC000520699600 1009766911 /nfs/dbraw/zinc/76/69/11/1009766911.db2.gz UGUYNWDMRPOWHO-ZDUSSCGKSA-N 0 2 403.891 3.958 20 0 HHADLN O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000550220253 1009785271 /nfs/dbraw/zinc/78/52/71/1009785271.db2.gz GZABUPHMUITCMR-LJQANCHMSA-N 0 2 402.498 3.810 20 0 HHADLN Cc1ccc(Cn2nccc2NS(=O)(=O)c2ccc(F)cc2Br)o1 ZINC000521026097 1010060367 /nfs/dbraw/zinc/06/03/67/1010060367.db2.gz ALZDZGMINNNEEM-UHFFFAOYSA-N 0 2 414.256 3.535 20 0 HHADLN CN(Cc1ccccc1)c1ccccc1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000521028759 1010061962 /nfs/dbraw/zinc/06/19/62/1010061962.db2.gz ARHVUBCXWLSPQH-UHFFFAOYSA-N 0 2 410.495 3.895 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)cc12 ZINC000547246366 1010192422 /nfs/dbraw/zinc/19/24/22/1010192422.db2.gz JNHSYVFBWFHZFW-UHFFFAOYSA-N 0 2 422.466 3.838 20 0 HHADLN CCC(CC)[C@@H]1C[C@H](NC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)CCO1 ZINC000544591848 1010218387 /nfs/dbraw/zinc/21/83/87/1010218387.db2.gz GBHSHNSVNPZHHI-WBVHZDCISA-N 0 2 404.536 3.741 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCc3cc(OC)nc4ccccc34)s[nH]2)c1 ZINC000544592245 1010218411 /nfs/dbraw/zinc/21/84/11/1010218411.db2.gz PEPDYWVEYBCOIR-UHFFFAOYSA-N 0 2 421.482 3.514 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C)[C@H]3CCCN(c4ccccc4)C3)s[nH]2)c1 ZINC000544594144 1010219671 /nfs/dbraw/zinc/21/96/71/1010219671.db2.gz MVDWYOABQKPDJM-SFHVURJKSA-N 0 2 423.542 3.768 20 0 HHADLN Cn1ccc([C@H](NC(=O)N=c2nc(-c3ccccc3)[nH]s2)c2ccc(Cl)cc2)n1 ZINC000547277565 1010223050 /nfs/dbraw/zinc/22/30/50/1010223050.db2.gz OWLFRPPJFWDQHR-QGZVFWFLSA-N 0 2 424.917 3.925 20 0 HHADLN Cn1ccc([C@@H](NC(=O)N=c2nc(-c3ccccc3)[nH]s2)c2ccc(Cl)cc2)n1 ZINC000547277564 1010223258 /nfs/dbraw/zinc/22/32/58/1010223258.db2.gz OWLFRPPJFWDQHR-KRWDZBQOSA-N 0 2 424.917 3.925 20 0 HHADLN C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3nn(-c4ccccc4F)cc3[O-])n2)C1 ZINC000521233695 1010241452 /nfs/dbraw/zinc/24/14/52/1010241452.db2.gz WFKZDCIDUUZXJG-ZDUSSCGKSA-N 0 2 415.494 3.658 20 0 HHADLN C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3nn(-c4ccccc4F)cc3[O-])n2)C1 ZINC000521233695 1010241465 /nfs/dbraw/zinc/24/14/65/1010241465.db2.gz WFKZDCIDUUZXJG-ZDUSSCGKSA-N 0 2 415.494 3.658 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000544635319 1010258908 /nfs/dbraw/zinc/25/89/08/1010258908.db2.gz KQCFCQDPAZCQRD-CQSZACIVSA-N 0 2 413.934 3.928 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCc1cccc(-n2ccnc2)c1 ZINC000544636520 1010260391 /nfs/dbraw/zinc/26/03/91/1010260391.db2.gz PDECUMXWRBBUPH-UHFFFAOYSA-N 0 2 410.890 3.788 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cncc3ccccc32)cc1C(F)(F)F ZINC000551015174 1010317609 /nfs/dbraw/zinc/31/76/09/1010317609.db2.gz QLQLVGXFGOAJID-UHFFFAOYSA-N 0 2 410.373 3.841 20 0 HHADLN CCc1nc(C)c(NS(=O)(=O)c2ccc(C(=O)OC)c(C(F)(F)F)c2)s1 ZINC000551018423 1010320584 /nfs/dbraw/zinc/32/05/84/1010320584.db2.gz GMMWOAPLPWIVDW-UHFFFAOYSA-N 0 2 408.423 3.620 20 0 HHADLN COc1ccc(C[C@@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)c2ccccc2)cc1OC ZINC000544720333 1010328718 /nfs/dbraw/zinc/32/87/18/1010328718.db2.gz MFWLOSOHQNKJJX-XJKSGUPXSA-N 0 2 417.449 3.858 20 0 HHADLN COc1ccc(C[C@H](NS(=O)(=O)[C@H](C)C(F)(F)F)c2ccccc2)cc1OC ZINC000544720331 1010329327 /nfs/dbraw/zinc/32/93/27/1010329327.db2.gz MFWLOSOHQNKJJX-CJNGLKHVSA-N 0 2 417.449 3.858 20 0 HHADLN O=C(Nc1ccccn1)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000551114498 1010378327 /nfs/dbraw/zinc/37/83/27/1010378327.db2.gz SHWPAMWVFPPAJT-UHFFFAOYSA-N 0 2 405.838 3.927 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc3ncsc3c2)c1OC ZINC000551117960 1010381708 /nfs/dbraw/zinc/38/17/08/1010381708.db2.gz AFZITIDSPKOUJI-UHFFFAOYSA-N 0 2 412.876 3.546 20 0 HHADLN CCOC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000544807253 1010401657 /nfs/dbraw/zinc/40/16/57/1010401657.db2.gz XTKXXRGXMQONDX-UHFFFAOYSA-N 0 2 419.528 3.587 20 0 HHADLN Cc1cccc(CS(=O)(=O)Nc2cccc(Cl)c2S(=O)(=O)C(C)C)c1 ZINC000551170492 1010415012 /nfs/dbraw/zinc/41/50/12/1010415012.db2.gz VIOQDSQBQNNZKL-UHFFFAOYSA-N 0 2 401.937 3.772 20 0 HHADLN O=S(=O)(Nc1noc(-c2cccs2)n1)c1ccc(Cl)cc1C(F)(F)F ZINC000548146222 1010544710 /nfs/dbraw/zinc/54/47/10/1010544710.db2.gz VJGWHMYEDQDYIM-UHFFFAOYSA-N 0 2 409.798 4.271 20 0 HHADLN COc1cc(Cl)cc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000551390099 1010556276 /nfs/dbraw/zinc/55/62/76/1010556276.db2.gz OWRZJTUKDVWFLI-UHFFFAOYSA-N 0 2 423.903 3.858 20 0 HHADLN COc1ccc(COCCCC(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1 ZINC000551390045 1010556314 /nfs/dbraw/zinc/55/63/14/1010556314.db2.gz UDZMLKKESJHHKA-UHFFFAOYSA-N 0 2 402.401 3.694 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)cc1C(N)=O ZINC000521704268 1010562766 /nfs/dbraw/zinc/56/27/66/1010562766.db2.gz MJZBSVWWHAGTCB-UHFFFAOYSA-N 0 2 407.904 3.672 20 0 HHADLN Cc1ccnc2c1cccc2S(=O)(=O)Nc1nc(-c2ccccc2Cl)ns1 ZINC000548279804 1010578193 /nfs/dbraw/zinc/57/81/93/1010578193.db2.gz DAOQIDNSILKZLZ-UHFFFAOYSA-N 0 2 416.915 3.938 20 0 HHADLN Cc1ccccc1[C@@H](C)N(CC(C)C)C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000551435580 1010584740 /nfs/dbraw/zinc/58/47/40/1010584740.db2.gz OMDQENLRQBYRAM-OAHLLOKOSA-N 0 2 402.564 3.750 20 0 HHADLN O=C1CCOc2c(NS(=O)(=O)c3cccc(Br)c3Cl)cccc21 ZINC000551466799 1010602848 /nfs/dbraw/zinc/60/28/48/1010602848.db2.gz XJPRWUHVSWOATR-UHFFFAOYSA-N 0 2 416.680 3.869 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)c1OC ZINC000551470717 1010605883 /nfs/dbraw/zinc/60/58/83/1010605883.db2.gz FJIYQIDTXKJHTJ-UHFFFAOYSA-N 0 2 420.874 3.727 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCC(c2ccccc2F)CC1 ZINC000548436509 1010626179 /nfs/dbraw/zinc/62/61/79/1010626179.db2.gz AHLHLXGPKQMIDD-UHFFFAOYSA-N 0 2 409.465 3.612 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000521800503 1010628921 /nfs/dbraw/zinc/62/89/21/1010628921.db2.gz OFSQOGLVSFKALJ-UHFFFAOYSA-N 0 2 406.847 3.891 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3cc(F)c(Br)c(F)c3)cc12 ZINC000545123973 1010630412 /nfs/dbraw/zinc/63/04/12/1010630412.db2.gz VCLUDSJQRTYJDS-UHFFFAOYSA-N 0 2 418.219 3.627 20 0 HHADLN CSc1ncc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)n1-c1ccc(F)cc1 ZINC000521835852 1010647599 /nfs/dbraw/zinc/64/75/99/1010647599.db2.gz XGXBPUPWSZUHQK-UHFFFAOYSA-N 0 2 417.516 3.988 20 0 HHADLN CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)Cc3cccc(C)c3)n2)s1 ZINC000545149896 1010649087 /nfs/dbraw/zinc/64/90/87/1010649087.db2.gz WAQCCNRGSRUJJM-UHFFFAOYSA-N 0 2 421.569 3.758 20 0 HHADLN CCn1c(=O)oc2cc(S(=O)(=O)Nc3cnc(-c4ccccc4)s3)ccc21 ZINC000545225469 1010692598 /nfs/dbraw/zinc/69/25/98/1010692598.db2.gz TUBGNGZTVOYBTQ-UHFFFAOYSA-N 0 2 401.469 3.539 20 0 HHADLN Cc1ccc(Cn2nccc2NS(=O)(=O)c2ccc(C)cc2Br)o1 ZINC000521897256 1010694212 /nfs/dbraw/zinc/69/42/12/1010694212.db2.gz YYIMBERPQOYEAI-UHFFFAOYSA-N 0 2 410.293 3.705 20 0 HHADLN COc1cc(C)ccc1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000548694478 1010706257 /nfs/dbraw/zinc/70/62/57/1010706257.db2.gz IDKXGNOSEFPLTC-UHFFFAOYSA-N 0 2 403.485 3.513 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1cc(Cl)cc2cccnc21 ZINC000545324966 1010729933 /nfs/dbraw/zinc/72/99/33/1010729933.db2.gz RVFIMKKGJQKRSA-UHFFFAOYSA-N 0 2 408.849 3.907 20 0 HHADLN COc1ccc(C2(CNS(=O)(=O)[C@@H](C)C(F)(F)F)CCCCC2)cc1OC ZINC000545365209 1010753523 /nfs/dbraw/zinc/75/35/23/1010753523.db2.gz ODMHLGIEHQSVBI-ZDUSSCGKSA-N 0 2 409.470 3.776 20 0 HHADLN C[C@H](C(F)(F)F)S(=O)(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000545385967 1010767689 /nfs/dbraw/zinc/76/76/89/1010767689.db2.gz CWZIOHQXNWIUOJ-LLVKDONJSA-N 0 2 419.387 3.624 20 0 HHADLN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)c(C)c1 ZINC000522358082 1010954976 /nfs/dbraw/zinc/95/49/76/1010954976.db2.gz QYOMEMSPBKTRBJ-CQSZACIVSA-N 0 2 406.552 3.718 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[n-]s1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000522564703 1011082590 /nfs/dbraw/zinc/08/25/90/1011082590.db2.gz GXCMHLCENGLTQF-CQSZACIVSA-N 0 2 402.520 3.678 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[n-]s1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000522564703 1011082596 /nfs/dbraw/zinc/08/25/96/1011082596.db2.gz GXCMHLCENGLTQF-CQSZACIVSA-N 0 2 402.520 3.678 20 0 HHADLN CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCO3)s1 ZINC000536114825 1011233057 /nfs/dbraw/zinc/23/30/57/1011233057.db2.gz ZFMKMIAHLQMHAR-UHFFFAOYSA-N 0 2 422.572 3.579 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc(C)oc2C)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC000540649037 1011300045 /nfs/dbraw/zinc/30/00/45/1011300045.db2.gz HZGCDFUMQODHIB-UHFFFAOYSA-N 0 2 400.382 3.605 20 0 HHADLN COC(=O)C1(c2ccc(S(=O)(=O)Nc3scnc3-c3ccccc3)cc2)CC1 ZINC000540653027 1011305818 /nfs/dbraw/zinc/30/58/18/1011305818.db2.gz MHXNKQGZFDDTGM-UHFFFAOYSA-N 0 2 414.508 3.816 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(OCC(C)C)cc2)nc1C1CC1 ZINC000536182005 1011317555 /nfs/dbraw/zinc/31/75/55/1011317555.db2.gz IBFARHWYZNUECO-UHFFFAOYSA-N 0 2 410.517 3.643 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c1 ZINC000536249390 1011405256 /nfs/dbraw/zinc/40/52/56/1011405256.db2.gz QIYYMABTHROEIV-MRXNPFEDSA-N 0 2 418.906 3.660 20 0 HHADLN COCCOc1cc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)nc2ccccc21 ZINC000536262219 1011428165 /nfs/dbraw/zinc/42/81/65/1011428165.db2.gz GFNXIBCZCBDOBK-UHFFFAOYSA-N 0 2 412.496 3.514 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)[C@H]1COc2ccc(Br)cc21 ZINC000536266643 1011435528 /nfs/dbraw/zinc/43/55/28/1011435528.db2.gz KXDKIVYUKVAANA-NSHDSACASA-N 0 2 408.302 3.566 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cc(-c3ccccc3)cnc2C)c1C ZINC000536304031 1011494621 /nfs/dbraw/zinc/49/46/21/1011494621.db2.gz PBZRAEPCYZJTPA-UHFFFAOYSA-N 0 2 413.499 3.979 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cn(CC(C)C)nc1C(F)F ZINC000536411151 1011623720 /nfs/dbraw/zinc/62/37/20/1011623720.db2.gz MFSVCBPDBLWBBE-UHFFFAOYSA-N 0 2 421.853 3.718 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2cn(CC(C)C)nc2C(F)F)cc1 ZINC000536413594 1011627267 /nfs/dbraw/zinc/62/72/67/1011627267.db2.gz FHMABZLBLGQSNH-UHFFFAOYSA-N 0 2 417.478 3.693 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3cccc(C)c3F)s2)c1 ZINC000541005231 1011639720 /nfs/dbraw/zinc/63/97/20/1011639720.db2.gz LEPPLFWLOVPUNW-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN Cc1nccn1C[C@H](C)CNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536482117 1011694416 /nfs/dbraw/zinc/69/44/16/1011694416.db2.gz OFMBZPVMHAJBGD-CFLQYTFWSA-N 0 2 421.948 3.612 20 0 HHADLN O=S(=O)(Nc1ccc(OCc2ccccc2)nc1)c1ccc(C(F)(F)F)nc1 ZINC000541072846 1011712389 /nfs/dbraw/zinc/71/23/89/1011712389.db2.gz JNMGPZQRURZNBA-UHFFFAOYSA-N 0 2 409.389 3.875 20 0 HHADLN CC(C)n1cnnc1-c1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000541074628 1011715308 /nfs/dbraw/zinc/71/53/08/1011715308.db2.gz SQJMZPCZBGEWDG-UHFFFAOYSA-N 0 2 411.409 3.741 20 0 HHADLN Cc1cc(Br)c(O)c(NS(=O)(=O)c2ccccc2-c2ccno2)c1 ZINC000541081861 1011723697 /nfs/dbraw/zinc/72/36/97/1011723697.db2.gz NWHDKPJRQMLWMW-UHFFFAOYSA-N 0 2 409.261 3.919 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc2c(c1)CCCO2 ZINC000536760797 1011957310 /nfs/dbraw/zinc/95/73/10/1011957310.db2.gz LCHLTYKVLVYHHB-UHFFFAOYSA-N 0 2 407.904 3.984 20 0 HHADLN Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3c(C)nn(CC(C)C)c3C)cc2F)n1 ZINC000541306932 1012013050 /nfs/dbraw/zinc/01/30/50/1012013050.db2.gz GHZBKNIAWTTYCO-UHFFFAOYSA-N 0 2 419.526 3.898 20 0 HHADLN O=C(c1cccc(OCc2cccc(Cl)c2)c1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000551930677 1012026928 /nfs/dbraw/zinc/02/69/28/1012026928.db2.gz BQHYSKNQXSWNRZ-UHFFFAOYSA-N 0 2 412.877 3.763 20 0 HHADLN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000541586570 1012377311 /nfs/dbraw/zinc/37/73/11/1012377311.db2.gz CAUDZFVTQGTCSB-UHFFFAOYSA-N 0 2 419.466 3.525 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC(OC4CCCC4)CC3)s[nH]2)c1 ZINC000541760750 1012623124 /nfs/dbraw/zinc/62/31/24/1012623124.db2.gz NJJBJEWJKRIFLU-UHFFFAOYSA-N 0 2 402.520 3.591 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cc2ccc(OC(F)(F)F)cc2[nH]1 ZINC000552628845 1012629518 /nfs/dbraw/zinc/62/95/18/1012629518.db2.gz WCDFVWITDSZNCB-UHFFFAOYSA-N 0 2 403.320 3.810 20 0 HHADLN CC[C@H](C)n1nc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1C ZINC000537210766 1012633582 /nfs/dbraw/zinc/63/35/82/1012633582.db2.gz TXYAVJRKGXLOMT-LBPRGKRZSA-N 0 2 419.532 3.672 20 0 HHADLN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C1=NN(c2ccccc2)CC1=O ZINC000552667894 1012666487 /nfs/dbraw/zinc/66/64/87/1012666487.db2.gz NMBLGMYWTXUJFZ-QFBILLFUSA-N 0 2 401.825 3.630 20 0 HHADLN C[C@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1nc(C(C)(C)C)no1 ZINC000541799327 1012676380 /nfs/dbraw/zinc/67/63/80/1012676380.db2.gz VFSQJIMPWWQEBZ-VIFPVBQESA-N 0 2 406.899 3.844 20 0 HHADLN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000541800495 1012678331 /nfs/dbraw/zinc/67/83/31/1012678331.db2.gz NRVPSLQJUPTUIT-HHHXNRCGSA-N 0 2 420.947 3.682 20 0 HHADLN CCC(C)(C)OCc1ccccc1NS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000541807249 1012691184 /nfs/dbraw/zinc/69/11/84/1012691184.db2.gz HPSNCIJRAVYKMZ-UHFFFAOYSA-N 0 2 411.545 3.596 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(CS(C)(=O)=O)c2C)c1Cl ZINC000523958815 1012701964 /nfs/dbraw/zinc/70/19/64/1012701964.db2.gz IPGLCSUKUCNXAO-UHFFFAOYSA-N 0 2 422.355 3.956 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc(C)ccc2F)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC000524050554 1012803625 /nfs/dbraw/zinc/80/36/25/1012803625.db2.gz YTGJNRSUXGXUBD-UHFFFAOYSA-N 0 2 414.384 3.843 20 0 HHADLN CN1c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cn3)c3cccc(c23)C1=O ZINC000537396120 1012878320 /nfs/dbraw/zinc/87/83/20/1012878320.db2.gz XULAMZXEHKUSFY-UHFFFAOYSA-N 0 2 407.373 3.644 20 0 HHADLN CCOc1ccc2nc(NS(=O)(=O)c3ccc(C(F)(F)F)nc3)sc2c1 ZINC000542013947 1012899422 /nfs/dbraw/zinc/89/94/22/1012899422.db2.gz VVZSHVVLYCBWNA-UHFFFAOYSA-N 0 2 403.407 3.910 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000552999348 1012974872 /nfs/dbraw/zinc/97/48/72/1012974872.db2.gz AENJVJHVLYHTOV-IAGOWNOFSA-N 0 2 417.487 3.825 20 0 HHADLN COC(=O)c1ccc(CS(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 ZINC000553002346 1012976817 /nfs/dbraw/zinc/97/68/17/1012976817.db2.gz QGBSIBJSQCBGCK-UHFFFAOYSA-N 0 2 420.487 3.602 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(OCc3cccnc3)c2)c(F)c1 ZINC000614838955 1071755197 /nfs/dbraw/zinc/75/51/97/1071755197.db2.gz KDENFHDFIJXGFR-UHFFFAOYSA-N 0 2 415.446 3.559 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000729665596 1071781209 /nfs/dbraw/zinc/78/12/09/1071781209.db2.gz LFYJYDPOAYTAJA-UHFFFAOYSA-N 0 2 424.475 3.831 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)cc2[nH]c1=S ZINC000905526748 1071973147 /nfs/dbraw/zinc/97/31/47/1071973147.db2.gz UDWUKQDNSHWEFI-UHFFFAOYSA-N 0 2 419.510 3.760 20 0 HHADLN CCOC(=O)c1c(F)cccc1NC(=O)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000615076850 1072082929 /nfs/dbraw/zinc/08/29/29/1072082929.db2.gz YPBKOYIPLUESOV-UHFFFAOYSA-N 0 2 415.204 3.592 20 0 HHADLN CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000488249344 1072164708 /nfs/dbraw/zinc/16/47/08/1072164708.db2.gz YUFMOVSSJRGWAD-UHFFFAOYSA-N 0 2 422.812 3.528 20 0 HHADLN O=S(=O)(Nc1cc(F)c(F)c(F)c1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000488254092 1072172060 /nfs/dbraw/zinc/17/20/60/1072172060.db2.gz XGPQUINVVDJSOA-SNVBAGLBSA-N 0 2 421.824 3.973 20 0 HHADLN CC(C)(C)OC(=O)N1CC(OCCC(=O)Nc2cc(Cl)cc(Cl)c2O)C1 ZINC000760427713 1072339141 /nfs/dbraw/zinc/33/91/41/1072339141.db2.gz VHHJKKRDPBXRRQ-UHFFFAOYSA-N 0 2 405.278 3.664 20 0 HHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1cccnc1I ZINC000760428256 1072348662 /nfs/dbraw/zinc/34/86/62/1072348662.db2.gz ZIZMNSMTLJXDHT-UHFFFAOYSA-N 0 2 409.010 3.951 20 0 HHADLN COc1cc(C)cc(C)c1S(=O)(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000570895787 1072407554 /nfs/dbraw/zinc/40/75/54/1072407554.db2.gz UMWONBHYKZIWID-UHFFFAOYSA-N 0 2 409.577 3.801 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc(-c2ccc(F)cc2F)nn1C ZINC000570904927 1072408725 /nfs/dbraw/zinc/40/87/25/1072408725.db2.gz OKNZRLIJJOVIFJ-UHFFFAOYSA-N 0 2 409.462 3.560 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cnccc1SC ZINC000586753078 1072416523 /nfs/dbraw/zinc/41/65/23/1072416523.db2.gz VUMAYDBKVPQPCB-UHFFFAOYSA-N 0 2 407.300 3.698 20 0 HHADLN CCCc1ncc(C(=O)NCC[C@@H]2C(=O)N(Cc3ccccc3C)N=C2CC)s1 ZINC000571015784 1072531140 /nfs/dbraw/zinc/53/11/40/1072531140.db2.gz POBTYILJPWXGMN-KRWDZBQOSA-N 0 2 412.559 3.949 20 0 HHADLN COCc1ccccc1CS(=O)(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000571478299 1072633437 /nfs/dbraw/zinc/63/34/37/1072633437.db2.gz GPODWGRJYJVDGR-UHFFFAOYSA-N 0 2 406.504 3.961 20 0 HHADLN O=S(=O)(Nc1ccc2ccccc2n1)c1cccc(I)c1 ZINC000571569948 1072658098 /nfs/dbraw/zinc/65/80/98/1072658098.db2.gz RVQBXTIBHZKGRM-UHFFFAOYSA-N 0 2 410.236 3.640 20 0 HHADLN O=C1Cc2cc(S(=O)(=O)Nc3nc4c(cccc4Cl)s3)cc3c2N1CCC3 ZINC000479113347 1072728878 /nfs/dbraw/zinc/72/88/78/1072728878.db2.gz CHFOAJGKMFPAES-UHFFFAOYSA-N 0 2 419.915 3.586 20 0 HHADLN COCc1ccc(S(=O)(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cc1 ZINC000479151962 1072773991 /nfs/dbraw/zinc/77/39/91/1072773991.db2.gz FTFSCYPFIDMONM-UHFFFAOYSA-N 0 2 413.883 3.945 20 0 HHADLN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000588625790 1073066475 /nfs/dbraw/zinc/06/64/75/1073066475.db2.gz KFDXKMQPXMSROB-UHFFFAOYSA-N 0 2 404.271 3.882 20 0 HHADLN Cc1noc2ncc(S(=O)(=O)Nc3ccc(C)cc3OCC(F)(F)F)cc12 ZINC000588627108 1073066820 /nfs/dbraw/zinc/06/68/20/1073066820.db2.gz QXKCETHMWFSXCH-UHFFFAOYSA-N 0 2 401.366 3.582 20 0 HHADLN CCn1c(-c2cccc3cccnc32)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000555014721 1073067386 /nfs/dbraw/zinc/06/73/86/1073067386.db2.gz LKCLAVBDMJDUIA-UHFFFAOYSA-N 0 2 417.498 3.860 20 0 HHADLN CCOC(=O)c1ccc(F)c(C)c1NS(=O)(=O)c1ccc(OC)cc1Cl ZINC000572400365 1073252230 /nfs/dbraw/zinc/25/22/30/1073252230.db2.gz DPUDLAMUSYKRSZ-UHFFFAOYSA-N 0 2 401.843 3.774 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(F)ccc2N2CCCCC2)c(F)c1 ZINC000588909092 1073356610 /nfs/dbraw/zinc/35/66/10/1073356610.db2.gz UJDVJQVVGGPSIY-UHFFFAOYSA-N 0 2 409.458 3.714 20 0 HHADLN COc1ccc(Br)c2[nH]c(C(=O)N=c3nc(C(C)(C)C)[nH]s3)cc21 ZINC000590120388 1073567145 /nfs/dbraw/zinc/56/71/45/1073567145.db2.gz STULACLWALOANH-UHFFFAOYSA-N 0 2 409.309 3.762 20 0 HHADLN Cc1cc(C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)nn1-c1cccc(Cl)c1 ZINC000555538192 1073608035 /nfs/dbraw/zinc/60/80/35/1073608035.db2.gz PDJCGLOBXPHPPL-UHFFFAOYSA-N 0 2 408.849 3.886 20 0 HHADLN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000590405282 1073789901 /nfs/dbraw/zinc/78/99/01/1073789901.db2.gz XMGJTTQQDKMMSM-SECBINFHSA-N 0 2 423.217 3.918 20 0 HHADLN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1ccoc1Br ZINC000555981425 1074018820 /nfs/dbraw/zinc/01/88/20/1074018820.db2.gz HRMVBCKTXQKWJM-UHFFFAOYSA-N 0 2 412.041 3.842 20 0 HHADLN Cc1c(Br)cccc1S(=O)(=O)Nc1nnc(CCc2ccccc2)o1 ZINC000556036681 1074049061 /nfs/dbraw/zinc/04/90/61/1074049061.db2.gz BMKLWDJKYQMWDI-UHFFFAOYSA-N 0 2 422.304 3.727 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc3ccccc32)o1)c1cc(F)cc(F)c1 ZINC000556037415 1074057699 /nfs/dbraw/zinc/05/76/99/1074057699.db2.gz RDXUGMYOGBZBFM-UHFFFAOYSA-N 0 2 401.394 3.893 20 0 HHADLN O=S(=O)(Nc1nnc([C@H]2COc3ccccc3O2)o1)c1cccc2ccccc21 ZINC000556037143 1074058357 /nfs/dbraw/zinc/05/83/57/1074058357.db2.gz KRSACGTWCFHHCG-QGZVFWFLSA-N 0 2 409.423 3.536 20 0 HHADLN O=C(CNC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)OC1CCCCC1 ZINC000760839244 1074367385 /nfs/dbraw/zinc/36/73/85/1074367385.db2.gz WPETVIVTOXRRCC-UHFFFAOYSA-N 0 2 420.465 3.926 20 0 HHADLN C[C@H](NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)C(=O)OC1CCCC1 ZINC000760838762 1074373966 /nfs/dbraw/zinc/37/39/66/1074373966.db2.gz OBGSKKKCHUNJFS-HNNXBMFYSA-N 0 2 420.465 3.925 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ncc(-c3cccc(C)c3)s2)c(OC)c1 ZINC000573693560 1074646114 /nfs/dbraw/zinc/64/61/14/1074646114.db2.gz YYPCXBRZNVDHBI-UHFFFAOYSA-N 0 2 420.512 3.945 20 0 HHADLN Cc1occc1-c1nnc(NS(=O)(=O)c2cc(Cl)ccc2Br)o1 ZINC000573857003 1074665769 /nfs/dbraw/zinc/66/57/69/1074665769.db2.gz VWPOVOMTZNGKCB-UHFFFAOYSA-N 0 2 418.656 3.855 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1 ZINC000592993958 1075155539 /nfs/dbraw/zinc/15/55/39/1075155539.db2.gz LNBDICCSUAHVFN-UHFFFAOYSA-N 0 2 423.796 3.869 20 0 HHADLN CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000574103885 1075167869 /nfs/dbraw/zinc/16/78/69/1075167869.db2.gz PTYYJWNZQBFKSP-UHFFFAOYSA-N 0 2 412.877 3.722 20 0 HHADLN CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncc(-c4ccc(F)cc4)s3)cc21 ZINC000574139176 1075169975 /nfs/dbraw/zinc/16/99/75/1075169975.db2.gz TZMYEIJATQXWRK-UHFFFAOYSA-N 0 2 417.487 3.980 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(OC)cc2Cl)nc1C(C)C ZINC000574719697 1075318693 /nfs/dbraw/zinc/31/86/93/1075318693.db2.gz JJJFVGWHOAYBFI-UHFFFAOYSA-N 0 2 418.924 3.906 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2ccc(Oc3ccc(CCOC)cc3)cc2)cn1 ZINC000594576682 1075337747 /nfs/dbraw/zinc/33/77/47/1075337747.db2.gz VFQRPPZWTFPOMZ-UHFFFAOYSA-N 0 2 401.488 3.685 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccncc2)ns1)c1c(Cl)ccc2ccccc21 ZINC000574939709 1075441872 /nfs/dbraw/zinc/44/18/72/1075441872.db2.gz BTSOCRCBPQRKOU-UHFFFAOYSA-N 0 2 402.888 3.629 20 0 HHADLN CC(C)OC[C@H](OC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)c1cccc(F)c1 ZINC000761169115 1075556725 /nfs/dbraw/zinc/55/67/25/1075556725.db2.gz LAURLGJBLACEJI-SFHVURJKSA-N 0 2 416.474 3.684 20 0 HHADLN CCc1nnc(Oc2ccc(NS(=O)(=O)c3ccc(C)s3)cc2)nc1CC ZINC000302726310 971292905 /nfs/dbraw/zinc/29/29/05/971292905.db2.gz KAWYGVIINGOWML-UHFFFAOYSA-N 0 2 404.517 3.959 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N[C@H]3CCSc4ccc(F)cc43)cc2[nH]c1=S ZINC000302857513 971357678 /nfs/dbraw/zinc/35/76/78/971357678.db2.gz OMYWVQBIOBJRPC-HNNXBMFYSA-N 0 2 415.515 3.811 20 0 HHADLN COC(=O)[C@H]1CCCCN1Cc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[nH]1 ZINC000302915575 971392735 /nfs/dbraw/zinc/39/27/35/971392735.db2.gz ZMWRFYQXSZXQNI-MRXNPFEDSA-N 0 2 413.499 3.600 20 0 HHADLN O=S(=O)(Nc1cnc(-c2cccc(O)c2)nc1)c1ccc(F)cc1C(F)(F)F ZINC000303163590 971536598 /nfs/dbraw/zinc/53/65/98/971536598.db2.gz FPYSFBFILZDJMT-UHFFFAOYSA-N 0 2 413.352 3.808 20 0 HHADLN O=S(=O)(Nc1ccc(-n2cccn2)c(Cl)c1)c1c(Cl)nc2ccccn21 ZINC000303190524 971551904 /nfs/dbraw/zinc/55/19/04/971551904.db2.gz MNAXPPSDBYVBEX-UHFFFAOYSA-N 0 2 408.270 3.628 20 0 HHADLN Cc1ccc(C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)c(Cl)c1C ZINC000542170380 1013107270 /nfs/dbraw/zinc/10/72/70/1013107270.db2.gz FKQVVTSQWUACIN-UHFFFAOYSA-N 0 2 422.919 3.861 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccsc3)ccc2F)cc1 ZINC000303421553 971700994 /nfs/dbraw/zinc/70/09/94/971700994.db2.gz UTECCNOQZDXJCA-UHFFFAOYSA-N 0 2 420.487 3.627 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(F)cc2)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC000524297924 1013109134 /nfs/dbraw/zinc/10/91/34/1013109134.db2.gz DYZLKHNKJAKAKU-UHFFFAOYSA-N 0 2 400.357 3.534 20 0 HHADLN C[C@@H](c1nccn1-c1ccccc1)S(=O)(=O)c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000553189780 1013149790 /nfs/dbraw/zinc/14/97/90/1013149790.db2.gz KGMVYFPUVFOSQC-ZDUSSCGKSA-N 0 2 413.890 3.846 20 0 HHADLN CC(C)(C)n1cnc(NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)n1 ZINC000542216737 1013164836 /nfs/dbraw/zinc/16/48/36/1013164836.db2.gz PIOYVNFAAGYFRX-UHFFFAOYSA-N 0 2 410.446 3.631 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(CCc3ccccc3C)n[nH]2)cc1 ZINC000542221016 1013173779 /nfs/dbraw/zinc/17/37/79/1013173779.db2.gz OKLHMFZVJGMIPW-UHFFFAOYSA-N 0 2 412.515 3.653 20 0 HHADLN Cc1cnn(-c2ccc(C)cc2NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)c1 ZINC000542236337 1013194136 /nfs/dbraw/zinc/19/41/36/1013194136.db2.gz XAJFHRZUKDMUIL-UHFFFAOYSA-N 0 2 401.536 3.759 20 0 HHADLN COc1cc2c(cc1NS(=O)(=O)c1ccc3[nH]c(=O)[nH]c3c1)oc1ccccc12 ZINC000005252705 960685313 /nfs/dbraw/zinc/68/53/13/960685313.db2.gz FCWJBAIDYYHTLR-UHFFFAOYSA-N 0 2 409.423 3.565 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 ZINC000006328966 960886397 /nfs/dbraw/zinc/88/63/97/960886397.db2.gz CKZMCEYNDYWTFQ-UHFFFAOYSA-N 0 2 412.439 3.906 20 0 HHADLN O=S(=O)(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(F)cc1F ZINC000007051591 960993631 /nfs/dbraw/zinc/99/36/31/960993631.db2.gz NQXHZNFDWGCPIN-UHFFFAOYSA-N 0 2 404.442 3.751 20 0 HHADLN CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cccc(C(C)=O)c3)n2)cc1 ZINC000007408986 961166895 /nfs/dbraw/zinc/16/68/95/961166895.db2.gz ZEJJFOXPVXHKDS-UHFFFAOYSA-N 0 2 415.496 3.772 20 0 HHADLN Cc1ccnc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)c1 ZINC000010430692 961821526 /nfs/dbraw/zinc/82/15/26/961821526.db2.gz FJAIRCSEVMUEPM-UHFFFAOYSA-N 0 2 417.874 3.802 20 0 HHADLN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1ncccc1C(F)(F)F ZINC000537741840 1013303961 /nfs/dbraw/zinc/30/39/61/1013303961.db2.gz DJYJIHMCRKDADU-UHFFFAOYSA-N 0 2 412.169 3.900 20 0 HHADLN Cc1csc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O)n1 ZINC000011985301 962219689 /nfs/dbraw/zinc/21/96/89/962219689.db2.gz YZKCKVPWFBTWCL-UHFFFAOYSA-N 0 2 423.903 3.864 20 0 HHADLN Cc1csc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)n1 ZINC000011985299 962220268 /nfs/dbraw/zinc/22/02/68/962220268.db2.gz UPXFTPVFNCGXMU-UHFFFAOYSA-N 0 2 423.903 3.864 20 0 HHADLN CC(C)OCc1c2ccccc2oc1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000014371152 962488963 /nfs/dbraw/zinc/48/89/63/962488963.db2.gz KUIKUTGWUXMXTP-UHFFFAOYSA-N 0 2 411.483 3.928 20 0 HHADLN Cc1noc(C(C)C)c1C(=O)NNC(=O)COc1ccc(OCc2ccccc2)cc1 ZINC000014843518 962588304 /nfs/dbraw/zinc/58/83/04/962588304.db2.gz IFPSEMPKLKFTQS-UHFFFAOYSA-N 0 2 423.469 3.525 20 0 HHADLN O=S(=O)(Nc1ccc(I)cc1)c1ccc(Cl)cc1F ZINC000016125342 962953914 /nfs/dbraw/zinc/95/39/14/962953914.db2.gz ORFCMDKKOALDQV-UHFFFAOYSA-N 0 2 411.623 3.885 20 0 HHADLN CCc1nn(C)cc1C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000537829076 1013393109 /nfs/dbraw/zinc/39/31/09/1013393109.db2.gz BGYBNPJVKAWDAE-UHFFFAOYSA-N 0 2 405.483 3.968 20 0 HHADLN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S(=O)(=O)c2ccc(Br)cc2)c1C ZINC000553498203 1013399305 /nfs/dbraw/zinc/39/93/05/1013399305.db2.gz LMJMIJHRNNWXRJ-LBPRGKRZSA-N 0 2 412.305 3.642 20 0 HHADLN COc1ccccc1C/N=C1\NC(=O)C(CC(=O)Nc2ccc3ccccc3c2)S1 ZINC000021861980 963550492 /nfs/dbraw/zinc/55/04/92/963550492.db2.gz KMDCXNYRGTVYRH-HXUWFJFHSA-N 0 2 419.506 3.965 20 0 HHADLN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1=O ZINC000023946378 963906218 /nfs/dbraw/zinc/90/62/18/963906218.db2.gz DLIVEOLRIGRMLU-LJQANCHMSA-N 0 2 406.269 3.582 20 0 HHADLN Cc1csc(C(C#N)C(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000048788715 964061849 /nfs/dbraw/zinc/06/18/49/964061849.db2.gz JUOSBNDUCARJLY-UKRRQHHQSA-N 0 2 407.417 3.695 20 0 HHADLN Cc1csc([C@H](C#N)C(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000048788715 964061856 /nfs/dbraw/zinc/06/18/56/964061856.db2.gz JUOSBNDUCARJLY-UKRRQHHQSA-N 0 2 407.417 3.695 20 0 HHADLN Cc1ccc(-c2csc(C(C#N)C(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)n2)cc1 ZINC000051150665 964477954 /nfs/dbraw/zinc/47/79/54/964477954.db2.gz FSVDAYSQWPEGCT-AEFFLSMTSA-N 0 2 405.479 3.937 20 0 HHADLN Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)n2)cc1 ZINC000051150665 964477962 /nfs/dbraw/zinc/47/79/62/964477962.db2.gz FSVDAYSQWPEGCT-AEFFLSMTSA-N 0 2 405.479 3.937 20 0 HHADLN N#CC(C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1nc(-c2ccccc2)cs1 ZINC000051534525 964607860 /nfs/dbraw/zinc/60/78/60/964607860.db2.gz FYJTYYXJQDLQRG-MSOLQXFVSA-N 0 2 408.527 3.914 20 0 HHADLN N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1nc(-c2ccccc2)cs1 ZINC000051534525 964607870 /nfs/dbraw/zinc/60/78/70/964607870.db2.gz FYJTYYXJQDLQRG-MSOLQXFVSA-N 0 2 408.527 3.914 20 0 HHADLN CC(C)OCc1c2ccccc2oc1C(=O)NNC(=O)c1ccc2ccccc2n1 ZINC000052537455 964927023 /nfs/dbraw/zinc/92/70/23/964927023.db2.gz STTWCUDVLQQLOE-UHFFFAOYSA-N 0 2 403.438 3.981 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000028969916 965228937 /nfs/dbraw/zinc/22/89/37/965228937.db2.gz KACNGHXXWRXJOE-UHFFFAOYSA-N 0 2 405.479 3.836 20 0 HHADLN CCOCc1ccc(CNC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1 ZINC000028994304 965236150 /nfs/dbraw/zinc/23/61/50/965236150.db2.gz QZEBBGCDOXEMTR-UHFFFAOYSA-N 0 2 423.469 3.539 20 0 HHADLN Cc1occc1C(=O)Cc1nc(=O)c2sc(-c3ccc4c(c3)OCCO4)cc2[nH]1 ZINC000053854119 965294088 /nfs/dbraw/zinc/29/40/88/965294088.db2.gz FHISULKDIMAYHL-UHFFFAOYSA-N 0 2 408.435 3.750 20 0 HHADLN O=C(Cc1nc(=O)c2sc(-c3ccc4c(c3)OCCO4)cc2[nH]1)Nc1ccccc1 ZINC000053854321 965294272 /nfs/dbraw/zinc/29/42/72/965294272.db2.gz YJYVNUGYBFOPST-UHFFFAOYSA-N 0 2 419.462 3.604 20 0 HHADLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2c(s1)COc1ccccc1-2 ZINC000057689732 965524061 /nfs/dbraw/zinc/52/40/61/965524061.db2.gz ARWFOPUAURQPIB-UHFFFAOYSA-N 0 2 403.441 3.720 20 0 HHADLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 ZINC000057702222 965525897 /nfs/dbraw/zinc/52/58/97/965525897.db2.gz ZBVZXFIYXSYZOF-UHFFFAOYSA-N 0 2 419.440 3.556 20 0 HHADLN C[C@H]1CCc2[nH]c3ccc(C(=O)N(C)Cc4nc(=O)c5sccc5[nH]4)cc3c2C1 ZINC000030031696 965604968 /nfs/dbraw/zinc/60/49/68/965604968.db2.gz XPGQNNVZXDHMKQ-LBPRGKRZSA-N 0 2 406.511 3.863 20 0 HHADLN COc1ccc(-c2nc(S[C@@H](C)C(=O)N3CCCCCC3)[nH]c(=O)c2C#N)cc1 ZINC000054749524 965631739 /nfs/dbraw/zinc/63/17/39/965631739.db2.gz SFILMZGKTDFQNC-AWEZNQCLSA-N 0 2 412.515 3.613 20 0 HHADLN COc1ccc(-c2nc(SCC(=O)Nc3ccc(C)cc3C)[nH]c(=O)c2C#N)cc1 ZINC000030587734 965737796 /nfs/dbraw/zinc/73/77/96/965737796.db2.gz NGKLRRITHRKHGQ-UHFFFAOYSA-N 0 2 420.494 3.665 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3Cc3ccccc3)cc2[nH]c1=S ZINC000030603275 965741112 /nfs/dbraw/zinc/74/11/12/965741112.db2.gz BGLGVXZAJVUQDZ-GOSISDBHSA-N 0 2 405.523 3.719 20 0 HHADLN COc1cc(Cl)c(C)cc1NC(=O)CC1SC(N2CCC[C@@H](C)C2)=NC1=O ZINC000055117723 965761623 /nfs/dbraw/zinc/76/16/23/965761623.db2.gz QCVYNHTWZZTJQN-BDJLRTHQSA-N 0 2 409.939 3.716 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)s[nH]2)c1 ZINC000542688446 1013608227 /nfs/dbraw/zinc/60/82/27/1013608227.db2.gz HYTPCWRFSWDEBN-PKOBYXMFSA-N 0 2 424.526 3.925 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3ccccc3SC(F)F)c(F)cc2N1 ZINC000055568329 965924462 /nfs/dbraw/zinc/92/44/62/965924462.db2.gz SJXQQZMMBAXIJM-UHFFFAOYSA-N 0 2 402.419 3.826 20 0 HHADLN O=C(NNC(=O)c1ccccn1)c1ccc(-c2ccc(Br)cc2)s1 ZINC000031205171 965934851 /nfs/dbraw/zinc/93/48/51/965934851.db2.gz IOCHHBBYJDEMOC-UHFFFAOYSA-N 0 2 402.273 3.647 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cccs2)cc1NC(=O)c1cccc(F)c1 ZINC000055594814 965950177 /nfs/dbraw/zinc/95/01/77/965950177.db2.gz VGSHGOUZRRGJHB-UHFFFAOYSA-N 0 2 406.460 3.949 20 0 HHADLN COc1ccc(OC(F)F)c(NS(=O)(=O)c2cccc(Br)c2)c1 ZINC000055599305 965956128 /nfs/dbraw/zinc/95/61/28/965956128.db2.gz LUFWIRILFVSYKV-UHFFFAOYSA-N 0 2 408.220 3.860 20 0 HHADLN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(Oc2ccc(C)c(C)c2)nc1 ZINC000055621573 965968865 /nfs/dbraw/zinc/96/88/65/965968865.db2.gz NFPUBYNUGOKFSA-UHFFFAOYSA-N 0 2 406.895 3.987 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)cc1OCC ZINC000055663711 966007635 /nfs/dbraw/zinc/00/76/35/966007635.db2.gz HKHMPDJMDQPMLA-UHFFFAOYSA-N 0 2 401.488 3.530 20 0 HHADLN Cn1cc([C@@H](NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C(C)(C)C)cn1 ZINC000542726570 1013638625 /nfs/dbraw/zinc/63/86/25/1013638625.db2.gz CZNQVWHSTDTIAA-CQSZACIVSA-N 0 2 404.927 3.923 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc(C2SCCS2)c1 ZINC000032588807 966288511 /nfs/dbraw/zinc/28/85/11/966288511.db2.gz SIPPJINLYRVMCZ-UHFFFAOYSA-N 0 2 413.542 3.962 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCc1ccccc1-n1cccn1 ZINC000542730615 1013643367 /nfs/dbraw/zinc/64/33/67/1013643367.db2.gz VBPUUAZQLGUIOY-UHFFFAOYSA-N 0 2 410.890 3.788 20 0 HHADLN Cc1cc(Br)cnc1NS(=O)(=O)c1cccc(Br)c1 ZINC000033597652 966410646 /nfs/dbraw/zinc/41/06/46/966410646.db2.gz MKQLYIWHUDPZIJ-UHFFFAOYSA-N 0 2 406.099 3.716 20 0 HHADLN COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cccc2c1cccc2N(C)C ZINC000033863292 966413930 /nfs/dbraw/zinc/41/39/30/966413930.db2.gz OXIPAGLHGJLYLY-UHFFFAOYSA-N 0 2 413.499 3.674 20 0 HHADLN CCCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)NOCc1ccccc1 ZINC000039565838 966504048 /nfs/dbraw/zinc/50/40/48/966504048.db2.gz FEFAXWBAUZLLOH-UHFFFAOYSA-N 0 2 417.918 3.800 20 0 HHADLN Cc1csc(C(C#N)C(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)n1 ZINC000041515924 966584274 /nfs/dbraw/zinc/58/42/74/966584274.db2.gz VLFFVGYORLGWCK-GXTWGEPZSA-N 0 2 418.316 3.752 20 0 HHADLN Cc1csc([C@H](C#N)C(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)n1 ZINC000041515924 966584284 /nfs/dbraw/zinc/58/42/84/966584284.db2.gz VLFFVGYORLGWCK-GXTWGEPZSA-N 0 2 418.316 3.752 20 0 HHADLN Cc1csc([C@H](C#N)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 ZINC000041515803 966584646 /nfs/dbraw/zinc/58/46/46/966584646.db2.gz ADDNNBDDGYOYNF-CQSZACIVSA-N 0 2 407.455 3.664 20 0 HHADLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(NC(=O)OCC(C)C)c1 ZINC000063181390 966769487 /nfs/dbraw/zinc/76/94/87/966769487.db2.gz JPPIYDWSZQTFQR-UHFFFAOYSA-N 0 2 423.447 3.609 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2nc(-c3ccccc3C)cs2)c1 ZINC000063184680 966772327 /nfs/dbraw/zinc/77/23/27/966772327.db2.gz FGVFEIOBOFDQOQ-UHFFFAOYSA-N 0 2 406.460 3.845 20 0 HHADLN COc1ccccc1OCc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)o1 ZINC000044978302 967321615 /nfs/dbraw/zinc/32/16/15/967321615.db2.gz YHGLLSDDHCUYNY-UHFFFAOYSA-N 0 2 414.845 3.524 20 0 HHADLN O=C(NNC(=O)c1ccc(Cl)cc1)c1[nH]nc(-c2ccccc2)c1Br ZINC000065094775 967375474 /nfs/dbraw/zinc/37/54/74/967375474.db2.gz SANCTZJGZHHUGU-UHFFFAOYSA-N 0 2 419.666 3.567 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3)cc2[nH]c1=S ZINC000045364843 967440231 /nfs/dbraw/zinc/44/02/31/967440231.db2.gz HOQMMNIIOGXNCL-HNNXBMFYSA-N 0 2 411.527 3.521 20 0 HHADLN CC[C@@H]1C[C@H](CC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)CCO1 ZINC000542881144 1013729540 /nfs/dbraw/zinc/72/95/40/1013729540.db2.gz YUPUYYFHWMWTLK-ZYHUDNBSSA-N 0 2 411.275 3.907 20 0 HHADLN CCN(Cc1cccc(NS(=O)(=O)c2ccccc2F)c1)C(=O)C(F)(F)F ZINC000047906316 968357663 /nfs/dbraw/zinc/35/76/63/968357663.db2.gz MKIBFBSOAGPIKP-UHFFFAOYSA-N 0 2 404.385 3.537 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)CC2CC2)ccc1Cl ZINC000047919917 968364486 /nfs/dbraw/zinc/36/44/86/968364486.db2.gz JOLWHKDAODCOTC-UHFFFAOYSA-N 0 2 408.907 3.631 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(C)c(I)c2)c1 ZINC000048653537 968632268 /nfs/dbraw/zinc/63/22/68/968632268.db2.gz UPEPURHMMABTHD-UHFFFAOYSA-N 0 2 405.232 3.848 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(I)cc2C)c1 ZINC000048652656 968632485 /nfs/dbraw/zinc/63/24/85/968632485.db2.gz DSPUOPPVTDNOHB-UHFFFAOYSA-N 0 2 405.232 3.848 20 0 HHADLN C=CCN(CCc1ccccc1)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000065987612 968751116 /nfs/dbraw/zinc/75/11/16/968751116.db2.gz MAPQLKBTIZMPDG-UHFFFAOYSA-N 0 2 419.481 3.944 20 0 HHADLN CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1c(O)cc(F)cc1F ZINC000066043765 968780231 /nfs/dbraw/zinc/78/02/31/968780231.db2.gz OOWGGSDDCFKRCK-UHFFFAOYSA-N 0 2 407.804 3.613 20 0 HHADLN O=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1c(O)cc(F)cc1F ZINC000066048189 968781121 /nfs/dbraw/zinc/78/11/21/968781121.db2.gz ZGZLKKVOIGGQFD-UHFFFAOYSA-N 0 2 400.356 3.992 20 0 HHADLN Cc1nc([C@H](NC(=O)N=c2nc(C(C)(C)C)[nH]s2)c2ccc(Cl)cc2)no1 ZINC000554181932 1013841271 /nfs/dbraw/zinc/84/12/71/1013841271.db2.gz HCUSMHFWNTZHJW-GFCCVEGCSA-N 0 2 406.899 3.513 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cnc(-c3cccc(O)c3)nc2)ccc1Br ZINC000072095816 968989428 /nfs/dbraw/zinc/98/94/28/968989428.db2.gz HDSIJTPWMAKGLL-UHFFFAOYSA-N 0 2 420.288 3.721 20 0 HHADLN CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000097205128 969100582 /nfs/dbraw/zinc/10/05/82/969100582.db2.gz UQAZQJUMCQIWID-UHFFFAOYSA-N 0 2 413.826 3.563 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NCCCO[C@@H](C)c3ccccc3)cc2[nH]c1=S ZINC000103464503 969200048 /nfs/dbraw/zinc/20/00/48/969200048.db2.gz GRPHCXVPAAKIRR-HNNXBMFYSA-N 0 2 411.527 3.603 20 0 HHADLN CCOCCC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000110883858 969734591 /nfs/dbraw/zinc/73/45/91/969734591.db2.gz QWRXDEFAWNSLAN-UHFFFAOYSA-N 0 2 400.859 3.645 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1ccc(F)cc1Br ZINC000195662025 969940597 /nfs/dbraw/zinc/94/05/97/969940597.db2.gz HFIOQHABWVMZOW-UHFFFAOYSA-N 0 2 411.256 3.550 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N3C[C@@H](C)O[C@H](c4ccccc4)C3)cc2[nH]c1=S ZINC000139801830 970046789 /nfs/dbraw/zinc/04/67/89/970046789.db2.gz AFBXNLHTURYYBO-KUHUBIRLSA-N 0 2 409.511 3.681 20 0 HHADLN CCc1ccc(Cl)c(CC)c1NS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000218951361 970087591 /nfs/dbraw/zinc/08/75/91/970087591.db2.gz LNUDMHPFMADEAO-UHFFFAOYSA-N 0 2 401.937 3.669 20 0 HHADLN O=S(=O)(Nc1ccc(Br)nc1)c1ccc(F)cc1Br ZINC000221719415 970099750 /nfs/dbraw/zinc/09/97/50/970099750.db2.gz XLXHPMIUXQKPQU-UHFFFAOYSA-N 0 2 410.062 3.547 20 0 HHADLN CCCC(=O)Nc1cccc(NS(=O)(=O)c2c(Cl)nc3ccccn32)c1C ZINC000146206735 970283539 /nfs/dbraw/zinc/28/35/39/970283539.db2.gz QTRRSTAMXATGGK-UHFFFAOYSA-N 0 2 406.895 3.836 20 0 HHADLN N#CC1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)CC1 ZINC000146989047 970315113 /nfs/dbraw/zinc/31/51/13/970315113.db2.gz ILYRDJJAJBSLBW-UHFFFAOYSA-N 0 2 418.522 3.678 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3N(C)C)cc2[nH]c1=S ZINC000248110069 970510001 /nfs/dbraw/zinc/51/00/01/970510001.db2.gz JYMRUBYEYJSMGF-UHFFFAOYSA-N 0 2 402.907 3.677 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N[C@H](c3ccc(OC)cc3)C3CC3)cc2[nH]c1=S ZINC000249695568 970531327 /nfs/dbraw/zinc/53/13/27/970531327.db2.gz RCBPURFCGVFGGC-IBGZPJMESA-N 0 2 409.511 3.595 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NC[C@@H](C)c3nc4ccccc4s3)cc2[nH]c1=S ZINC000261381880 970638480 /nfs/dbraw/zinc/63/84/80/970638480.db2.gz SNBHHSQGELCJEW-GFCCVEGCSA-N 0 2 424.551 3.848 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2ccc(OC)cc2Cl)sc1C(C)C ZINC000554734184 1014034201 /nfs/dbraw/zinc/03/42/01/1014034201.db2.gz CMCGQEHYOZQMQW-UHFFFAOYSA-N 0 2 404.897 3.516 20 0 HHADLN CC(C)c1csc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])n1 ZINC000314693011 972641369 /nfs/dbraw/zinc/64/13/69/972641369.db2.gz TVDIAGRQBDRLOU-UHFFFAOYSA-N 0 2 406.283 3.738 20 0 HHADLN COCCOc1ccc(NS(=O)(=O)c2cc(C)c(Br)s2)cc1 ZINC000316725674 972652372 /nfs/dbraw/zinc/65/23/72/972652372.db2.gz KDLAHWFMZPOOFN-UHFFFAOYSA-N 0 2 406.323 3.645 20 0 HHADLN O=[N+]([O-])c1cc(NS(=O)(=O)c2c(Cl)cccc2Br)ccc1F ZINC000319599750 972672559 /nfs/dbraw/zinc/67/25/59/972672559.db2.gz VUKMHYCLYHDUSA-UHFFFAOYSA-N 0 2 409.620 3.951 20 0 HHADLN CCC(=O)Nc1cccc(NS(=O)(=O)c2cc(Br)cnc2Cl)c1 ZINC000320318393 972679696 /nfs/dbraw/zinc/67/96/96/972679696.db2.gz DVUSKOBSVMQZGL-UHFFFAOYSA-N 0 2 418.700 3.647 20 0 HHADLN CCNC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)cc1 ZINC000324279422 972720670 /nfs/dbraw/zinc/72/06/70/972720670.db2.gz MUYGAZIXKVBMTD-UHFFFAOYSA-N 0 2 417.712 3.653 20 0 HHADLN NC(=O)c1cccc(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)c1 ZINC000386101326 972797979 /nfs/dbraw/zinc/79/79/79/972797979.db2.gz OLEUNFRWDSEYJM-UHFFFAOYSA-N 0 2 424.103 3.656 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3ccccc3)o2)sc1Br ZINC000387855813 972802386 /nfs/dbraw/zinc/80/23/86/972802386.db2.gz FZJWAFBJSFUYCC-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN COC(=O)c1cc(F)ccc1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000390754422 972827237 /nfs/dbraw/zinc/82/72/37/972827237.db2.gz ZYVJSLSAWOUGBJ-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN O=C1CCCN1c1ccc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)cc1 ZINC000409482764 972932374 /nfs/dbraw/zinc/93/23/74/972932374.db2.gz GBJAZOPLYHMFRH-UHFFFAOYSA-N 0 2 413.524 3.662 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2nc(C)c(Cc3ccccc3F)s2)c1 ZINC000409532841 972988653 /nfs/dbraw/zinc/98/86/53/972988653.db2.gz DHHCVCFRIJAMAS-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN CC[C@H]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)N(CC)CC)cc3)sc2C1 ZINC000409536624 972992988 /nfs/dbraw/zinc/99/29/88/972992988.db2.gz MPGTYXKGIMRMCS-AWEZNQCLSA-N 0 2 421.588 3.941 20 0 HHADLN C[C@H](OCc1ccccc1)C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000409542047 972998571 /nfs/dbraw/zinc/99/85/71/972998571.db2.gz BWCRXEFABYNTOV-NSHDSACASA-N 0 2 419.254 3.917 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)c(C)c1 ZINC000409584139 973033565 /nfs/dbraw/zinc/03/35/65/973033565.db2.gz WQEYSXPDJLPVIC-UHFFFAOYSA-N 0 2 407.536 3.831 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2cc(-c3ccoc3)nn2-c2ccccc2)c1 ZINC000409616898 973064807 /nfs/dbraw/zinc/06/48/07/973064807.db2.gz IGALJTKNKQIGMQ-UHFFFAOYSA-N 0 2 423.450 3.720 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)cc1OC ZINC000409641790 973091826 /nfs/dbraw/zinc/09/18/26/973091826.db2.gz YRLHTCAOTRDWOO-UHFFFAOYSA-N 0 2 400.428 3.701 20 0 HHADLN C[C@H](Oc1ccc(Br)cc1)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000409685872 973149723 /nfs/dbraw/zinc/14/97/23/973149723.db2.gz MUFRCCDVUMRSJD-VIFPVBQESA-N 0 2 410.318 3.857 20 0 HHADLN CC(C)[C@H](NC(=O)C(C)(C)C)C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000409925096 973386765 /nfs/dbraw/zinc/38/67/65/973386765.db2.gz WDXOMYGHIOVYIW-ZDUSSCGKSA-N 0 2 412.321 3.904 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000410061071 973544380 /nfs/dbraw/zinc/54/43/80/973544380.db2.gz ZXPWKSHEYKCZDZ-INIZCTEOSA-N 0 2 408.531 3.571 20 0 HHADLN COc1ccc(Br)c(CS(=O)(=O)Nc2cc(C(C)(C)C)on2)c1 ZINC000410341399 973925409 /nfs/dbraw/zinc/92/54/09/973925409.db2.gz TVXSKQJVQNYRGM-UHFFFAOYSA-N 0 2 403.298 3.685 20 0 HHADLN CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000410370601 973966793 /nfs/dbraw/zinc/96/67/93/973966793.db2.gz DLKNPVMJOHTFQK-UHFFFAOYSA-N 0 2 422.812 3.657 20 0 HHADLN O=S(=O)(Nc1ccc(O[C@H]2CCOC2)cc1)c1cccc(Br)c1F ZINC000410385250 973983280 /nfs/dbraw/zinc/98/32/80/973983280.db2.gz UXDPLVOIZXOQBI-ZDUSSCGKSA-N 0 2 416.268 3.557 20 0 HHADLN O=S(=O)(Nc1ccc(O[C@@H]2CCOC2)cc1)c1cccc(Br)c1F ZINC000410385248 973983561 /nfs/dbraw/zinc/98/35/61/973983561.db2.gz UXDPLVOIZXOQBI-CYBMUJFWSA-N 0 2 416.268 3.557 20 0 HHADLN COCc1nnc([C@@H]2CCCCN2C(=O)c2ccc(Sc3ccccn3)cc2)[nH]1 ZINC000426108000 974231602 /nfs/dbraw/zinc/23/16/02/974231602.db2.gz DFTOSTRXWHIDCR-KRWDZBQOSA-N 0 2 409.515 3.865 20 0 HHADLN O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2cc(CCc3ccccc3)ccn2)c1 ZINC000426180833 974292224 /nfs/dbraw/zinc/29/22/24/974292224.db2.gz SKCPKFXCZBIYDG-UHFFFAOYSA-N 0 2 421.522 3.560 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)ncc1Br ZINC000426196952 974305659 /nfs/dbraw/zinc/30/56/59/974305659.db2.gz QTOMNTLVNFWTKY-UHFFFAOYSA-N 0 2 411.199 3.852 20 0 HHADLN C[C@@H]1CCc2nc(C[NH2+][C@H](CSCCOc3ccccc3)C(=O)[O-])sc2C1 ZINC000426725896 974617969 /nfs/dbraw/zinc/61/79/69/974617969.db2.gz FXMKPJQVMIXLAZ-RHSMWYFYSA-N 0 2 406.573 3.623 20 0 HHADLN COc1cccc(CSC[C@@H]([NH2+]Cc2nc3c(s2)C[C@H](C)CC3)C(=O)[O-])c1 ZINC000426754537 974637257 /nfs/dbraw/zinc/63/72/57/974637257.db2.gz RBXQJTZWBPJSLE-CXAGYDPISA-N 0 2 406.573 3.753 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N(Cc1cccs1)C[C@H]1CCCO1 ZINC000426993474 974806049 /nfs/dbraw/zinc/80/60/49/974806049.db2.gz WFQUMNGBXYCAHM-MRXNPFEDSA-N 0 2 401.463 3.600 20 0 HHADLN CC(=O)Nc1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1C ZINC000427112865 974913653 /nfs/dbraw/zinc/91/36/53/974913653.db2.gz DMXFZUDZTJJOHZ-UHFFFAOYSA-N 0 2 406.357 3.792 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)cn1 ZINC000427120878 974920475 /nfs/dbraw/zinc/92/04/75/974920475.db2.gz VRDLBJHVCLCYRZ-OAHLLOKOSA-N 0 2 412.925 3.511 20 0 HHADLN O=S(=O)(Nc1ccc(-c2ncon2)cc1)c1cccc(OC(F)(F)F)c1F ZINC000427211559 974980944 /nfs/dbraw/zinc/98/09/44/974980944.db2.gz HJXFYBHSJQBGAE-UHFFFAOYSA-N 0 2 403.313 3.575 20 0 HHADLN C[C@]1(CNC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)OCCc2sccc21 ZINC000427219418 974986223 /nfs/dbraw/zinc/98/62/23/974986223.db2.gz PMKUCIYXUDNNAO-LJQANCHMSA-N 0 2 403.891 3.511 20 0 HHADLN O=S(=O)(Cc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccccc2F)c1 ZINC000427338435 975062908 /nfs/dbraw/zinc/06/29/08/975062908.db2.gz JZEYCTALXKLAHF-UHFFFAOYSA-N 0 2 420.487 3.568 20 0 HHADLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1cccc(-c2ncco2)c1C ZINC000427352486 975072220 /nfs/dbraw/zinc/07/22/20/975072220.db2.gz PFQBSILJUMSZOT-UHFFFAOYSA-N 0 2 406.847 3.891 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccccc1)c1cccc(OC(F)(F)F)c1F ZINC000427747290 975265511 /nfs/dbraw/zinc/26/55/11/975265511.db2.gz KVOPVNUFDOZJHZ-UHFFFAOYSA-N 0 2 415.368 3.770 20 0 HHADLN CCc1ccc2nc(NS(=O)(=O)c3cc(COC)cc(C(=O)OC)c3)sc2c1 ZINC000427756191 975270436 /nfs/dbraw/zinc/27/04/36/975270436.db2.gz HGAQFPAJEAEOHF-UHFFFAOYSA-N 0 2 420.512 3.593 20 0 HHADLN CCOC(=O)c1cc(COC)cc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)c1 ZINC000427758352 975271417 /nfs/dbraw/zinc/27/14/17/975271417.db2.gz MLCVSNGKXNANHD-UHFFFAOYSA-N 0 2 424.544 3.536 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2nc(C(C)(C)C)co2)cc1Br ZINC000427758014 975271433 /nfs/dbraw/zinc/27/14/33/975271433.db2.gz KCAOQNXCFKMGID-UHFFFAOYSA-N 0 2 419.297 3.553 20 0 HHADLN Cn1nc(-c2ccsc2)cc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427762106 975274425 /nfs/dbraw/zinc/27/44/25/975274425.db2.gz GXQWEHQJVAINES-UHFFFAOYSA-N 0 2 421.397 3.987 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nc(C(C)C)cs2)cc1I ZINC000427782790 975285439 /nfs/dbraw/zinc/28/54/39/975285439.db2.gz OLXDLWOLTSDKEP-UHFFFAOYSA-N 0 2 422.313 3.980 20 0 HHADLN Cc1nc2ccc(S(=O)(=O)Nc3noc(COc4ccc(C)cc4)n3)cc2s1 ZINC000427783890 975286286 /nfs/dbraw/zinc/28/62/86/975286286.db2.gz WQFZGCRXMDWCOJ-UHFFFAOYSA-N 0 2 416.484 3.676 20 0 HHADLN Cc1ccc(C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)c(Cl)c1 ZINC000427832089 975312935 /nfs/dbraw/zinc/31/29/35/975312935.db2.gz YPGPVPSBOIPQOE-UHFFFAOYSA-N 0 2 408.892 3.553 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCn2c(cc3cc(Cl)ccc32)C1 ZINC000427971386 975370564 /nfs/dbraw/zinc/37/05/64/975370564.db2.gz KCVKYBTURPFVEQ-UHFFFAOYSA-N 0 2 410.836 3.981 20 0 HHADLN O=C(Nc1nc2ccc(F)cc2[nH]1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000428032729 975396976 /nfs/dbraw/zinc/39/69/76/975396976.db2.gz KYZCBTJLZQROAC-UHFFFAOYSA-N 0 2 410.430 3.755 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000428871207 976161525 /nfs/dbraw/zinc/16/15/25/976161525.db2.gz ICTOIOBLOVXGPC-KBPBESRZSA-N 0 2 406.533 3.598 20 0 HHADLN CCc1cccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)c1 ZINC000430358548 977500982 /nfs/dbraw/zinc/50/09/82/977500982.db2.gz ONCGFSWLWJVSCV-UHFFFAOYSA-N 0 2 409.511 3.717 20 0 HHADLN Cc1c(F)cccc1S(=O)(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2)cn1 ZINC000430370662 977507298 /nfs/dbraw/zinc/50/72/98/977507298.db2.gz ALPKZVCMENBYEN-UHFFFAOYSA-N 0 2 413.474 3.602 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3c(C)cc(F)cc3C)s2)c1 ZINC000430377788 977512529 /nfs/dbraw/zinc/51/25/29/977512529.db2.gz BKYMRLQOLBISJV-UHFFFAOYSA-N 0 2 407.492 3.694 20 0 HHADLN O=C(N[C@@H](CO)c1ccccc1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430568409 977635647 /nfs/dbraw/zinc/63/56/47/977635647.db2.gz KLQPGBYPXKUIHE-QFIPXVFZSA-N 0 2 400.434 3.784 20 0 HHADLN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)N3CCSCC3)ccc2C)s1 ZINC000431142457 978045510 /nfs/dbraw/zinc/04/55/10/978045510.db2.gz FMKOVJIZVDEPFB-UHFFFAOYSA-N 0 2 410.586 3.663 20 0 HHADLN O=S(=O)(Nc1nnc(SCc2cccs2)s1)c1ccc(F)c(F)c1 ZINC000431312423 978197743 /nfs/dbraw/zinc/19/77/43/978197743.db2.gz KVBANJYGEVFSEM-UHFFFAOYSA-N 0 2 405.498 3.971 20 0 HHADLN COCCc1ccc(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)cc1 ZINC000431319403 978205350 /nfs/dbraw/zinc/20/53/50/978205350.db2.gz RALIGVQCCJJQJS-UHFFFAOYSA-N 0 2 403.529 3.812 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)c1 ZINC000431334232 978218319 /nfs/dbraw/zinc/21/83/19/978218319.db2.gz WUUVZWHHCAHLKR-UHFFFAOYSA-N 0 2 409.467 3.844 20 0 HHADLN CC(=O)c1ccc(S(=O)(=O)Nc2nnc(SCc3cccs3)s2)cc1 ZINC000431334093 978218493 /nfs/dbraw/zinc/21/84/93/978218493.db2.gz VFHFHGJLOFXUHA-UHFFFAOYSA-N 0 2 411.555 3.895 20 0 HHADLN O=S(=O)(Nc1nnc(C(F)(F)F)s1)c1ccc(OC(F)F)c(Cl)c1 ZINC000431338763 978221568 /nfs/dbraw/zinc/22/15/68/978221568.db2.gz PTCIRHIFTIJDAY-UHFFFAOYSA-N 0 2 409.745 3.613 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CC[C@H](OCc4ccncc4)C3)=N2)cc1 ZINC000431444179 978301265 /nfs/dbraw/zinc/30/12/65/978301265.db2.gz HZKSNKUTFULARY-FQEVSTJZSA-N 0 2 406.486 3.528 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc3c(c2)OCCO3)cnn1-c1ccc(F)cc1 ZINC000432059707 978664355 /nfs/dbraw/zinc/66/43/55/978664355.db2.gz CGBAAKZDZMOYAX-UHFFFAOYSA-N 0 2 417.462 3.536 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cccc(C(C)=O)c2)cnn1-c1ccc(F)cc1 ZINC000432070298 978668465 /nfs/dbraw/zinc/66/84/65/978668465.db2.gz XALTYYGPBICGKF-UHFFFAOYSA-N 0 2 401.463 3.967 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)cnn1-c1ccc(F)cc1 ZINC000432084484 978673632 /nfs/dbraw/zinc/67/36/32/978673632.db2.gz HAOYPTYGLMVOOQ-UHFFFAOYSA-N 0 2 419.478 3.782 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)c(Cl)c1 ZINC000432192439 978707295 /nfs/dbraw/zinc/70/72/95/978707295.db2.gz NCKMQLLMGYVKHH-UHFFFAOYSA-N 0 2 406.847 3.946 20 0 HHADLN O=C1CCCc2cc(S(=O)(=O)N3CCC[C@H]3c3nc(-c4ccccc4)n[nH]3)ccc21 ZINC000432204505 978712571 /nfs/dbraw/zinc/71/25/71/978712571.db2.gz UJWJDMYYOJUZMT-IBGZPJMESA-N 0 2 422.510 3.517 20 0 HHADLN O=C1CCCc2cc(S(=O)(=O)N3CCC[C@@H]3c3nc(-c4ccccc4)n[nH]3)ccc21 ZINC000432204507 978712586 /nfs/dbraw/zinc/71/25/86/978712586.db2.gz UJWJDMYYOJUZMT-LJQANCHMSA-N 0 2 422.510 3.517 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NCCc2nc(-c3ccccn3)cs2)=N1 ZINC000432327148 978762436 /nfs/dbraw/zinc/76/24/36/978762436.db2.gz FOBKJANMQWVJIS-UHFFFAOYSA-N 0 2 423.473 3.516 20 0 HHADLN O=c1ccc2cc(S(=O)(=O)Nc3nc(/C=C/c4ccccc4)cs3)ccc2[nH]1 ZINC000432350867 978772098 /nfs/dbraw/zinc/77/20/98/978772098.db2.gz GGASRLBRNAPTED-SOFGYWHQSA-N 0 2 409.492 3.956 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccco2)o1)c1ccc(Cl)c(Br)c1 ZINC000432368836 978781418 /nfs/dbraw/zinc/78/14/18/978781418.db2.gz ODOOXBRAGMBBOC-UHFFFAOYSA-N 0 2 404.629 3.546 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1nnc([C@H]2CCCc3ccccc32)s1 ZINC000432531185 978868078 /nfs/dbraw/zinc/86/80/78/978868078.db2.gz NPQWSSKKOVZEAV-KRWDZBQOSA-N 0 2 415.540 3.954 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CSc4nccn5ccnc45)nc(=O)c3s2)cc1 ZINC000432650357 978925797 /nfs/dbraw/zinc/92/57/97/978925797.db2.gz BGZUHMRVUKTUFF-UHFFFAOYSA-N 0 2 421.507 3.995 20 0 HHADLN Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1nc(-c2ccncc2)n[nH]1 ZINC000433090637 979068477 /nfs/dbraw/zinc/06/84/77/979068477.db2.gz IWJQKCWNYVIBRR-UHFFFAOYSA-N 0 2 410.434 3.602 20 0 HHADLN NC(=O)CCOc1ccc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)cc1 ZINC000433505967 979343720 /nfs/dbraw/zinc/34/37/20/979343720.db2.gz DFGNKXJYLOXVGG-UHFFFAOYSA-N 0 2 410.904 3.610 20 0 HHADLN CCCCc1[nH]c2ccc(NS(=O)(=O)c3ccc(OCC)c(C(=O)[O-])c3)cc2[nH+]1 ZINC000433811366 979592915 /nfs/dbraw/zinc/59/29/15/979592915.db2.gz PNCHDILAQARFEF-UHFFFAOYSA-N 0 2 417.487 3.803 20 0 HHADLN Cc1c(Br)cc(C(=O)Nc2cc(Cl)cc(Cl)c2O)c(=O)n1C ZINC000434359498 980114308 /nfs/dbraw/zinc/11/43/08/980114308.db2.gz WJHZGTFTLJBZGO-UHFFFAOYSA-N 0 2 406.063 3.721 20 0 HHADLN CCCCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1 ZINC000434491447 980210120 /nfs/dbraw/zinc/21/01/20/980210120.db2.gz JDYJARKZZPFDPV-UHFFFAOYSA-N 0 2 420.441 3.576 20 0 HHADLN Cc1cc(C)c(-c2cc(NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)[nH]n2)cc1C ZINC000434972023 980541696 /nfs/dbraw/zinc/54/16/96/980541696.db2.gz MCUIFEVXVNOENQ-UHFFFAOYSA-N 0 2 424.526 3.695 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C)ccc1Br ZINC000435133589 980664890 /nfs/dbraw/zinc/66/48/90/980664890.db2.gz SAZXUDWLZRABPC-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccccc2O[C@H]2CCOC2)c1Br ZINC000435140635 980672243 /nfs/dbraw/zinc/67/22/43/980672243.db2.gz UNALYVUYEYIVKA-ZDUSSCGKSA-N 0 2 412.305 3.726 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)cnn1-c1ccccc1F ZINC000435140926 980672949 /nfs/dbraw/zinc/67/29/49/980672949.db2.gz LFXPJBVJCIYUSE-UHFFFAOYSA-N 0 2 401.463 3.959 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000435144852 980676279 /nfs/dbraw/zinc/67/62/79/980676279.db2.gz AUKNNXDNIWRSMW-UHFFFAOYSA-N 0 2 418.471 3.959 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1S(C)(=O)=O ZINC000435497795 980903655 /nfs/dbraw/zinc/90/36/55/980903655.db2.gz YPUHALLWMINLHC-UHFFFAOYSA-N 0 2 412.291 3.645 20 0 HHADLN COc1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc(OC)c1OC ZINC000435503746 980906967 /nfs/dbraw/zinc/90/69/67/980906967.db2.gz WQQWBPLSDVQTRP-UHFFFAOYSA-N 0 2 410.250 3.959 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000435719163 981000651 /nfs/dbraw/zinc/00/06/51/981000651.db2.gz JDQYDMCHFIPXDU-UHFFFAOYSA-N 0 2 413.368 3.500 20 0 HHADLN CCOC(=O)[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000436524084 981416680 /nfs/dbraw/zinc/41/66/80/981416680.db2.gz YEJLSMWFABPOFY-HNNXBMFYSA-N 0 2 418.223 3.881 20 0 HHADLN O=C(Nc1cc(-c2cc(F)cc(Br)c2)[nH]n1)c1cc(F)c(O)c(F)c1 ZINC000436529290 981421938 /nfs/dbraw/zinc/42/19/38/981421938.db2.gz KPYARXFPDFAELV-UHFFFAOYSA-N 0 2 412.165 4.214 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc(F)c(O)c(F)c1 ZINC000436530785 981422536 /nfs/dbraw/zinc/42/25/36/981422536.db2.gz GBAZABSPJWEKSD-UHFFFAOYSA-N 0 2 404.394 3.724 20 0 HHADLN CCOC(=O)c1cnn(-c2cccc(NC(=O)c3cc(F)c(O)c(F)c3)c2)c1C ZINC000436534419 981425920 /nfs/dbraw/zinc/42/59/20/981425920.db2.gz XJQAROHZLLRPNC-UHFFFAOYSA-N 0 2 401.369 3.594 20 0 HHADLN CC(C)OCCOC[C@@H](O)CN(C)C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436573511 981453216 /nfs/dbraw/zinc/45/32/16/981453216.db2.gz IFHDQPAFIGRRRL-SFHVURJKSA-N 0 2 421.921 3.587 20 0 HHADLN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3cc(F)c(O)c(F)c3)C2)cc1 ZINC000436636297 981486333 /nfs/dbraw/zinc/48/63/33/981486333.db2.gz UWIKAMOKRAEEPQ-CQSZACIVSA-N 0 2 403.429 3.653 20 0 HHADLN O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)c1cc(F)cc(Br)c1O ZINC000436672727 981504750 /nfs/dbraw/zinc/50/47/50/981504750.db2.gz CCRMGXPWWQTMLT-GTNSWQLSSA-N 0 2 412.230 3.941 20 0 HHADLN C[C@H](NC(=O)c1cc(F)cc(Br)c1O)[C@@H]1OCCc2sccc21 ZINC000436686178 981512607 /nfs/dbraw/zinc/51/26/07/981512607.db2.gz GCJQZHURCWVDKR-AYVTZFPOSA-N 0 2 400.269 3.788 20 0 HHADLN C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436715890 981528086 /nfs/dbraw/zinc/52/80/86/981528086.db2.gz ZDGRWULGEKJLOM-VXGBXAGGSA-N 0 2 407.923 3.524 20 0 HHADLN C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436715890 981528099 /nfs/dbraw/zinc/52/80/99/981528099.db2.gz ZDGRWULGEKJLOM-VXGBXAGGSA-N 0 2 407.923 3.524 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000436717530 981528796 /nfs/dbraw/zinc/52/87/96/981528796.db2.gz HAERQTZIJNALCR-ZDUSSCGKSA-N 0 2 416.621 3.728 20 0 HHADLN O=C(NCc1n[nH]c(-c2ccc(Br)cc2)n1)c1cc(Cl)ccc1O ZINC000436731089 981536231 /nfs/dbraw/zinc/53/62/31/981536231.db2.gz ZSOPAOQKVCYQOA-UHFFFAOYSA-N 0 2 407.655 3.523 20 0 HHADLN O=C(NCc1nc(-c2ccc(Br)cc2)n[nH]1)c1cc(Cl)ccc1O ZINC000436731089 981536234 /nfs/dbraw/zinc/53/62/34/981536234.db2.gz ZSOPAOQKVCYQOA-UHFFFAOYSA-N 0 2 407.655 3.523 20 0 HHADLN COc1ccc(C)cc1C1(CNC(=O)c2cc(F)cc(Cl)c2O)CCOCC1 ZINC000436773636 981555478 /nfs/dbraw/zinc/55/54/78/981555478.db2.gz JUUNLTGJYYOYSI-UHFFFAOYSA-N 0 2 407.869 3.980 20 0 HHADLN COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(Cl)c(OC)cc2Cl)c1O ZINC000436774056 981556167 /nfs/dbraw/zinc/55/61/67/981556167.db2.gz VDXIKPHQBTVIDJ-UHFFFAOYSA-N 0 2 420.270 3.603 20 0 HHADLN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cc(F)cc(Cl)c1O ZINC000436791715 981563542 /nfs/dbraw/zinc/56/35/42/981563542.db2.gz SWIIIVREFQOFOO-INIZCTEOSA-N 0 2 406.841 3.745 20 0 HHADLN O=C(Nc1nc(C[NH+]2CCCCC2)cs1)c1cc(F)cc(Br)c1[O-] ZINC000436845660 981587341 /nfs/dbraw/zinc/58/73/41/981587341.db2.gz DZMMUWXEGROGHR-UHFFFAOYSA-N 0 2 414.300 3.989 20 0 HHADLN Cc1cccc(N2CCN(C(=O)c3cc(F)cc(Br)c3O)CC2)c1C ZINC000436850218 981589457 /nfs/dbraw/zinc/58/94/57/981589457.db2.gz ZUBHALRCBXPGKP-UHFFFAOYSA-N 0 2 407.283 3.873 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CC(OCCCOc2ccccc2)C1 ZINC000436854877 981592827 /nfs/dbraw/zinc/59/28/27/981592827.db2.gz UMZBWCGBEAZQMJ-UHFFFAOYSA-N 0 2 424.266 3.604 20 0 HHADLN C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436854458 981593030 /nfs/dbraw/zinc/59/30/30/981593030.db2.gz FROSESYPZFHAIK-HNNXBMFYSA-N 0 2 406.885 3.548 20 0 HHADLN COc1cccc([C@H]2CN(C(=O)c3cc(F)cc(Br)c3O)CCO2)c1 ZINC000436859630 981595223 /nfs/dbraw/zinc/59/52/23/981595223.db2.gz UAWYGIZBUAPJPZ-MRXNPFEDSA-N 0 2 410.239 3.516 20 0 HHADLN O=C(CCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1O)NCc1ccccn1 ZINC000436884133 981600634 /nfs/dbraw/zinc/60/06/34/981600634.db2.gz JTMUWAOCFGCBGF-UHFFFAOYSA-N 0 2 409.873 3.544 20 0 HHADLN CCN(C(=O)c1cc(F)cc(Br)c1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000436885659 981601483 /nfs/dbraw/zinc/60/14/83/981601483.db2.gz IKRLJUCOXSNDMC-MRXNPFEDSA-N 0 2 421.266 3.561 20 0 HHADLN C[C@H](Cc1noc(-c2cc(S(=O)(=O)N3CCCC3)ccc2O)n1)c1ccccc1 ZINC000436950068 981640707 /nfs/dbraw/zinc/64/07/07/981640707.db2.gz XZYOGWLJCFYGFA-OAHLLOKOSA-N 0 2 413.499 3.573 20 0 HHADLN CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436962767 981650267 /nfs/dbraw/zinc/65/02/67/981650267.db2.gz BECPSPXHXVYSHI-VLIAUNLRSA-N 0 2 403.473 3.747 20 0 HHADLN CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436962767 981650270 /nfs/dbraw/zinc/65/02/70/981650270.db2.gz BECPSPXHXVYSHI-VLIAUNLRSA-N 0 2 403.473 3.747 20 0 HHADLN Cc1cc(=O)c(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)nn1-c1ccccc1F ZINC000436963429 981651002 /nfs/dbraw/zinc/65/10/02/981651002.db2.gz COOBOLKWAWGGAQ-UHFFFAOYSA-N 0 2 408.216 3.945 20 0 HHADLN O=C(Nc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cc(F)c(O)c(F)c2)C1)C1CCCC1 ZINC000436969301 981655528 /nfs/dbraw/zinc/65/55/28/981655528.db2.gz YRGFKNSGRGSXGW-CYBMUJFWSA-N 0 2 418.444 3.542 20 0 HHADLN O=C(N[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cc(F)c(O)c(F)c1 ZINC000436969673 981655539 /nfs/dbraw/zinc/65/55/39/981655539.db2.gz ZTFUFSXVOCYBFE-AWEZNQCLSA-N 0 2 401.196 3.513 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N(CCCO)Cc1cccc(Cl)c1 ZINC000436989506 981670621 /nfs/dbraw/zinc/67/06/21/981670621.db2.gz MMAPGSOXRYREEE-UHFFFAOYSA-N 0 2 416.674 3.972 20 0 HHADLN CCCCCc1nnc(NS(=O)(=O)c2ccc(Br)c(OC)c2)s1 ZINC000437163511 981813636 /nfs/dbraw/zinc/81/36/36/981813636.db2.gz HKBWZQNZQDHLEI-UHFFFAOYSA-N 0 2 420.354 3.843 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(Cc3ccccc3F)s2)cc1C ZINC000437173733 981828692 /nfs/dbraw/zinc/82/86/92/981828692.db2.gz UVRKRLFUPDRHGT-UHFFFAOYSA-N 0 2 407.492 3.694 20 0 HHADLN CCC(CC)c1nnc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)OC)s1 ZINC000437200679 981858687 /nfs/dbraw/zinc/85/86/87/981858687.db2.gz VLGWELLKWAHAQD-UHFFFAOYSA-N 0 2 403.913 3.683 20 0 HHADLN Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NS(=O)(=O)c1cccc2cccnc21 ZINC000448536783 981864392 /nfs/dbraw/zinc/86/43/92/981864392.db2.gz HBWHBCQZBIHVEW-RHSMWYFYSA-N 0 2 420.498 3.578 20 0 HHADLN CSCCCNC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C ZINC000448542303 981870147 /nfs/dbraw/zinc/87/01/47/981870147.db2.gz LQGORZRXTAWVAA-UHFFFAOYSA-N 0 2 411.524 3.810 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c1C ZINC000437308815 981960463 /nfs/dbraw/zinc/96/04/63/981960463.db2.gz MQOFEAHEGWMPRB-UHFFFAOYSA-N 0 2 409.515 3.944 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2ccnn2-c2ccc(Cl)cc2)ccc1C ZINC000437319152 981970579 /nfs/dbraw/zinc/97/05/79/981970579.db2.gz BMBGYLZSOFFWHQ-UHFFFAOYSA-N 0 2 404.879 3.593 20 0 HHADLN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccc2F)cc1 ZINC000437323680 981974824 /nfs/dbraw/zinc/97/48/24/981974824.db2.gz NIFVLQCNKRLDEO-UHFFFAOYSA-N 0 2 401.463 3.710 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)cn1)c1ccccc1 ZINC000437331104 981982230 /nfs/dbraw/zinc/98/22/30/981982230.db2.gz VSQYOMYKJLARNP-UHFFFAOYSA-N 0 2 405.838 3.927 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccc(Cl)cc2)cc1 ZINC000437336792 981987679 /nfs/dbraw/zinc/98/76/79/981987679.db2.gz LHZHUTIKIJCAHR-UHFFFAOYSA-N 0 2 404.879 3.675 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)cc1C ZINC000437402186 982046031 /nfs/dbraw/zinc/04/60/31/982046031.db2.gz FOYRNWZHIUETPY-UHFFFAOYSA-N 0 2 416.430 3.909 20 0 HHADLN C[C@H]1CCCN(Cc2csc(NS(=O)(=O)c3cccc4cccnc43)n2)C1 ZINC000437413319 982055176 /nfs/dbraw/zinc/05/51/76/982055176.db2.gz QRLUEQHXKJLDGX-AWEZNQCLSA-N 0 2 402.545 3.724 20 0 HHADLN O=S(=O)(Nc1ccnn1CCc1ccccc1)c1ccc(Br)c(F)c1 ZINC000437414072 982056075 /nfs/dbraw/zinc/05/60/75/982056075.db2.gz UZJWWHIANNYFNV-UHFFFAOYSA-N 0 2 424.295 3.828 20 0 HHADLN CCc1cccc(Cc2cnc(NS(=O)(=O)c3csc(C(=O)OC)c3)s2)c1 ZINC000437415897 982057274 /nfs/dbraw/zinc/05/72/74/982057274.db2.gz XGRGWFXNBPGSGV-UHFFFAOYSA-N 0 2 422.553 3.945 20 0 HHADLN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccnc2-c2ccc(C)s2)cc1 ZINC000437658028 982275684 /nfs/dbraw/zinc/27/56/84/982275684.db2.gz XBFLOGHARJUBRK-UHFFFAOYSA-N 0 2 422.553 3.713 20 0 HHADLN O=C(Nc1ccccc1)c1cc(NS(=O)(=O)c2cnc3n2CCC3)ccc1Cl ZINC000437677680 982291652 /nfs/dbraw/zinc/29/16/52/982291652.db2.gz VCEHQPUOYMKKCT-UHFFFAOYSA-N 0 2 416.890 3.536 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(C)s2)nc1C(F)(F)F ZINC000460521324 982309366 /nfs/dbraw/zinc/30/93/66/982309366.db2.gz BOGQHUCASXXLRY-UHFFFAOYSA-N 0 2 400.425 3.509 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cc(C)ccc2F)nc1C(F)(F)F ZINC000460534655 982321963 /nfs/dbraw/zinc/32/19/63/982321963.db2.gz PHGJZBPMCVTGFH-UHFFFAOYSA-N 0 2 412.386 3.587 20 0 HHADLN CC1(C)Cc2cccc(S(=O)(=O)Nc3nnc(-c4ccc(F)c(F)c4)o3)c2O1 ZINC000460546531 982333246 /nfs/dbraw/zinc/33/32/46/982333246.db2.gz VLENNSBKCVEYJI-UHFFFAOYSA-N 0 2 407.398 3.529 20 0 HHADLN CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC1 ZINC000437985697 982506747 /nfs/dbraw/zinc/50/67/47/982506747.db2.gz MHFSAKNJJNAGSS-MRXNPFEDSA-N 0 2 423.533 3.837 20 0 HHADLN CCOCCOc1c(Cl)cccc1NS(=O)(=O)CCOc1ccc(F)cc1 ZINC000460826960 982578242 /nfs/dbraw/zinc/57/82/42/982578242.db2.gz DXEOGORIOGRPJO-UHFFFAOYSA-N 0 2 417.886 3.715 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000460827187 982578246 /nfs/dbraw/zinc/57/82/46/982578246.db2.gz KGHYBCICYYDKAJ-UHFFFAOYSA-N 0 2 411.426 3.874 20 0 HHADLN COc1cccc(Cn2nccc2NS(=O)(=O)c2cc(C)c(F)c(C)c2)c1OC ZINC000460832047 982582267 /nfs/dbraw/zinc/58/22/67/982582267.db2.gz MZJACKRSRKHXBY-UHFFFAOYSA-N 0 2 419.478 3.505 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cccc(C[S@](C)=O)c2)cnn1-c1ccc(Cl)cc1 ZINC000460834498 982584125 /nfs/dbraw/zinc/58/41/25/982584125.db2.gz VUAADLVGJJLRPT-SANMLTNESA-N 0 2 423.947 3.513 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cnn(-c3cc(Cl)ccc3OC)c2)c(C)c1 ZINC000460838211 982587067 /nfs/dbraw/zinc/58/70/67/982587067.db2.gz VYMPKLVSPIBPDL-UHFFFAOYSA-N 0 2 407.879 3.652 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Br)c(F)c1 ZINC000460841341 982589444 /nfs/dbraw/zinc/58/94/44/982589444.db2.gz GPIUEEUDFLDVIZ-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN CC(C)c1nnc2ccc(NS(=O)(=O)c3cc(F)ccc3Br)cn21 ZINC000438225075 982663544 /nfs/dbraw/zinc/66/35/44/982663544.db2.gz RKWVZUZVLXKKMP-UHFFFAOYSA-N 0 2 413.272 3.555 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(F)cc2)o1)c1ccc(C(F)(F)F)s1 ZINC000461115602 982807448 /nfs/dbraw/zinc/80/74/48/982807448.db2.gz UCLSZGISOXEDGU-UHFFFAOYSA-N 0 2 407.370 3.681 20 0 HHADLN COCCCCc1cccnc1NS(=O)(=O)c1ccc(C)cc1Br ZINC000461184749 982903158 /nfs/dbraw/zinc/90/31/58/982903158.db2.gz HRTXVUVBSGYHJT-UHFFFAOYSA-N 0 2 413.337 3.922 20 0 HHADLN COCCCCc1cccnc1NS(=O)(=O)c1ccc(F)cc1Br ZINC000461210647 982923882 /nfs/dbraw/zinc/92/38/82/982923882.db2.gz HGVRSBUKRGQYIK-UHFFFAOYSA-N 0 2 417.300 3.753 20 0 HHADLN CCc1nnc(-c2ccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)cc2)o1 ZINC000438721059 983025270 /nfs/dbraw/zinc/02/52/70/983025270.db2.gz ZTJYVLWSKNGEGT-UHFFFAOYSA-N 0 2 413.377 3.998 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3cccc(Oc4ccccn4)c3)c(F)cc2N1 ZINC000438726404 983028111 /nfs/dbraw/zinc/02/81/11/983028111.db2.gz UGHOYNWNKSWAHN-UHFFFAOYSA-N 0 2 413.430 3.699 20 0 HHADLN O=S(=O)(Nc1ccc(F)c(Br)c1)c1cnn(Cc2ccccc2)c1 ZINC000438727900 983028615 /nfs/dbraw/zinc/02/86/15/983028615.db2.gz SPBRDJQRZCBITB-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)[C@@H]1C[C@]12CCOC2 ZINC000461354816 983034713 /nfs/dbraw/zinc/03/47/13/983034713.db2.gz RVBIJTKASNAITB-DJJJIMSYSA-N 0 2 424.881 3.645 20 0 HHADLN CC(C)OCc1nc([C@H](C)NC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)no1 ZINC000461384597 983057608 /nfs/dbraw/zinc/05/76/08/983057608.db2.gz GXERLEJKVMRNHP-AWEZNQCLSA-N 0 2 413.478 3.500 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(C)c(OC(F)F)c2)cn1 ZINC000438771818 983061535 /nfs/dbraw/zinc/06/15/35/983061535.db2.gz LNCZAUHABDTWQI-UHFFFAOYSA-N 0 2 409.414 3.592 20 0 HHADLN COc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)c(OCc2ccccc2)c1 ZINC000438810791 983085638 /nfs/dbraw/zinc/08/56/38/983085638.db2.gz KULIJKHZOMJITP-UHFFFAOYSA-N 0 2 409.467 3.951 20 0 HHADLN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000438811812 983086284 /nfs/dbraw/zinc/08/62/84/983086284.db2.gz NBTCWXACKOYIGS-UHFFFAOYSA-N 0 2 403.243 3.546 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC[C@@H]2Cc2ccccc2OC)=N1 ZINC000438939695 983166979 /nfs/dbraw/zinc/16/69/79/983166979.db2.gz SXDZPUMNKBSNEP-LJQANCHMSA-N 0 2 405.498 3.996 20 0 HHADLN C[C@H](Cn1cc[nH+]c1)NC(=O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC000439008868 983207135 /nfs/dbraw/zinc/20/71/35/983207135.db2.gz WBMHAVWREDSITE-SECBINFHSA-N 0 2 414.680 3.553 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1cc2c(s1)CCOC2 ZINC000439243486 983328580 /nfs/dbraw/zinc/32/85/80/983328580.db2.gz COHPJWAUTIHAGB-UHFFFAOYSA-N 0 2 423.267 3.760 20 0 HHADLN Cc1ccc(C(=O)C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cc1 ZINC000439247115 983330023 /nfs/dbraw/zinc/33/00/23/983330023.db2.gz MNSDMYCREYISJC-UHFFFAOYSA-N 0 2 403.211 3.503 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N(C)CCCC(=O)OC(C)(C)C)=N2)cc1 ZINC000439252047 983332634 /nfs/dbraw/zinc/33/26/34/983332634.db2.gz PEPRARIXPAUKLQ-UHFFFAOYSA-N 0 2 401.507 3.895 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000439370902 983382718 /nfs/dbraw/zinc/38/27/18/983382718.db2.gz KOPXXGUABQYMSU-NUEKZKHPSA-N 0 2 406.939 3.828 20 0 HHADLN CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)C1 ZINC000439395344 983392321 /nfs/dbraw/zinc/39/23/21/983392321.db2.gz LBWHNFIHUHYXKB-ZWKOTPCHSA-N 0 2 412.534 3.515 20 0 HHADLN C[C@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)CO1 ZINC000439421900 983402498 /nfs/dbraw/zinc/40/24/98/983402498.db2.gz KKIQZWRFZKXGDW-NWDGAFQWSA-N 0 2 412.870 3.643 20 0 HHADLN NC(=O)C(NCCc1ccccc1C(F)(F)F)c1ccc(Br)cc1F ZINC000439561550 983450688 /nfs/dbraw/zinc/45/06/88/983450688.db2.gz OCNOKNJQQFADQA-OAHLLOKOSA-N 0 2 419.216 3.966 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1cnc2ccsc2c1 ZINC000439566106 983452823 /nfs/dbraw/zinc/45/28/23/983452823.db2.gz DOHSSQUZCDCMRN-CYBMUJFWSA-N 0 2 408.476 3.794 20 0 HHADLN CCNC(=O)COc1cccc(NS(=O)(=O)c2c(Cl)ccc3ccccc32)c1 ZINC000440307998 983714026 /nfs/dbraw/zinc/71/40/26/983714026.db2.gz VXASKNBNYDWYKI-UHFFFAOYSA-N 0 2 418.902 3.809 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2OC(C)C)cc1Cl ZINC000440817431 983919871 /nfs/dbraw/zinc/91/98/71/983919871.db2.gz CQHGHXVPJZEQSV-UHFFFAOYSA-N 0 2 401.843 3.854 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N2Cc3ccccc3C[C@@H]2c2ccccc2)s[nH]1 ZINC000441055678 984046633 /nfs/dbraw/zinc/04/66/33/984046633.db2.gz XIPPFXPJJOGVET-GOSISDBHSA-N 0 2 420.538 3.522 20 0 HHADLN O=S(=O)(Nc1nc2c(ccc3c2CCCC3)s1)c1cnn(C2CCOCC2)c1 ZINC000441355454 984204354 /nfs/dbraw/zinc/20/43/54/984204354.db2.gz OLQPUIUXMFVSKD-UHFFFAOYSA-N 0 2 418.544 3.524 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnn(C2CCOCC2)c1 ZINC000441371590 984214967 /nfs/dbraw/zinc/21/49/67/984214967.db2.gz MFNIJLGNNHGZFB-UHFFFAOYSA-N 0 2 409.817 3.708 20 0 HHADLN CC[C@@H](C)[C@@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccc(Cl)cc1 ZINC000442133903 984659547 /nfs/dbraw/zinc/65/95/47/984659547.db2.gz LZGORTWRDUDUOY-BXUZGUMPSA-N 0 2 408.955 3.753 20 0 HHADLN Cn1c(=O)[nH]c2ccc(NS(=O)(=O)c3c(Cl)cccc3C(F)(F)F)cc21 ZINC000442236199 984756555 /nfs/dbraw/zinc/75/65/55/984756555.db2.gz TWOKPFKCNICRNP-UHFFFAOYSA-N 0 2 405.785 3.752 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccnc(N4CCC[C@@H](C)C4)c3)s[nH]2)c1 ZINC000462020347 984998868 /nfs/dbraw/zinc/99/88/68/984998868.db2.gz KZGDDZOHIUCZRL-CQSZACIVSA-N 0 2 409.515 3.519 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)c1 ZINC000462098908 985069947 /nfs/dbraw/zinc/06/99/47/985069947.db2.gz CRQMKNREEVBHIN-UHFFFAOYSA-N 0 2 409.769 3.652 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cnccc2-c2ccc(C(F)(F)F)cc2)cn1 ZINC000442597887 985083102 /nfs/dbraw/zinc/08/31/02/985083102.db2.gz NIGHZPASTAKJAA-UHFFFAOYSA-N 0 2 409.389 3.972 20 0 HHADLN CC(C)(c1nnc(NS(=O)(=O)c2ccc(Br)o2)o1)c1ccccc1 ZINC000442621791 985097562 /nfs/dbraw/zinc/09/75/62/985097562.db2.gz ZWJWRNMRVUAOJV-UHFFFAOYSA-N 0 2 412.265 3.552 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)cn1 ZINC000442626914 985103436 /nfs/dbraw/zinc/10/34/36/985103436.db2.gz WVJVUPZQBIHLFL-CQSZACIVSA-N 0 2 401.513 3.620 20 0 HHADLN Cc1nc(-c2ccc(C(=O)NCc3nnc(COc4ccccc4)[nH]3)cc2)cs1 ZINC000442756332 985205444 /nfs/dbraw/zinc/20/54/44/985205444.db2.gz ZJTNBUHNMOCDEG-UHFFFAOYSA-N 0 2 405.483 3.746 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000442811910 985224045 /nfs/dbraw/zinc/22/40/45/985224045.db2.gz DKNOQMHBMMYVST-UHFFFAOYSA-N 0 2 404.469 3.831 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000442817524 985226354 /nfs/dbraw/zinc/22/63/54/985226354.db2.gz MFKBIDUVTRZBKF-UHFFFAOYSA-N 0 2 409.407 3.585 20 0 HHADLN O=S(=O)(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1cnccc1C(F)(F)F ZINC000442821048 985228001 /nfs/dbraw/zinc/22/80/01/985228001.db2.gz UHYJOFPQCICBFS-CVEARBPZSA-N 0 2 416.421 3.584 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)c(OC)c1 ZINC000442826504 985231334 /nfs/dbraw/zinc/23/13/34/985231334.db2.gz OPCROJHAYLZIMF-UHFFFAOYSA-N 0 2 416.455 3.554 20 0 HHADLN O=S(=O)(Nc1ccc(OCc2ccncc2)cc1)c1cnccc1C(F)(F)F ZINC000442830036 985233525 /nfs/dbraw/zinc/23/35/25/985233525.db2.gz XAVLYYJADZQCHM-UHFFFAOYSA-N 0 2 409.389 3.875 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000442832529 985235058 /nfs/dbraw/zinc/23/50/58/985235058.db2.gz YOAKUEYIIJSIBW-UHFFFAOYSA-N 0 2 404.469 3.831 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2C[C@H]2C2CCCCC2)c(F)c1Cl ZINC000462482880 985438923 /nfs/dbraw/zinc/43/89/23/985438923.db2.gz BUELPYPCMALZFW-AAEUAGOBSA-N 0 2 406.882 3.824 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCc3cc(C)ccc32)c(F)c1Cl ZINC000462510283 985461784 /nfs/dbraw/zinc/46/17/84/985461784.db2.gz KTZXFBMNWKWMPB-CQSZACIVSA-N 0 2 414.861 3.851 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2ccnn2[C@@H](C)c2cc(Cl)ccc2Cl)cn1 ZINC000443360692 985522949 /nfs/dbraw/zinc/52/29/49/985522949.db2.gz SMGFYSFGPGDNPZ-NSHDSACASA-N 0 2 414.318 3.816 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2ccnn2[C@H](C)c2cc(Cl)ccc2Cl)cn1 ZINC000443360688 985523106 /nfs/dbraw/zinc/52/31/06/985523106.db2.gz SMGFYSFGPGDNPZ-LLVKDONJSA-N 0 2 414.318 3.816 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(Br)ccc2F)c(C)c(OC)c1 ZINC000443422590 985579771 /nfs/dbraw/zinc/57/97/71/985579771.db2.gz LRIJCWLYNOCXIL-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1cnn([C@@H]2CCOC2)c1 ZINC000443469844 985643710 /nfs/dbraw/zinc/64/37/10/985643710.db2.gz SWSUFYNUHZMDSA-CYBMUJFWSA-N 0 2 423.416 3.730 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc(C(C)(C)C)s2)cccc1N1C(=O)CCNC1=O ZINC000443529430 985700481 /nfs/dbraw/zinc/70/04/81/985700481.db2.gz HCBJIVAMBLITBZ-UHFFFAOYSA-N 0 2 421.544 3.601 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1OCCC(F)(F)F)c1cccc2c1OCCO2 ZINC000443532335 985704142 /nfs/dbraw/zinc/70/41/42/985704142.db2.gz SXMXWSLBAXOLAB-UHFFFAOYSA-N 0 2 421.368 3.729 20 0 HHADLN COCCn1cc(S(=O)(=O)Nc2ccccc2N[C@@H](C)c2ccccc2)cn1 ZINC000443533257 985704949 /nfs/dbraw/zinc/70/49/49/985704949.db2.gz VMAQUHHLDPNVRI-INIZCTEOSA-N 0 2 400.504 3.503 20 0 HHADLN Cc1ccccc1C1(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC1 ZINC000443577395 985753020 /nfs/dbraw/zinc/75/30/20/985753020.db2.gz DKWHRBPZORVJMK-UHFFFAOYSA-N 0 2 413.524 3.923 20 0 HHADLN COc1cccc([C@H](C)C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000443578695 985753974 /nfs/dbraw/zinc/75/39/74/985753974.db2.gz GSDOACGJOHKHKD-ZDUSSCGKSA-N 0 2 417.512 3.695 20 0 HHADLN CC[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1c(C)noc1C ZINC000443580816 985756448 /nfs/dbraw/zinc/75/64/48/985756448.db2.gz LEWRUZIEHZYLIU-OAHLLOKOSA-N 0 2 420.516 3.681 20 0 HHADLN CCCc1ncc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)s1 ZINC000443588582 985764541 /nfs/dbraw/zinc/76/45/41/985764541.db2.gz IOTVCSAUUMMKKS-UHFFFAOYSA-N 0 2 408.530 3.605 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc2nn(C(C)C)cc2c1 ZINC000468347927 986044017 /nfs/dbraw/zinc/04/40/17/986044017.db2.gz JKMKBKDLTXFNPM-UHFFFAOYSA-N 0 2 407.467 3.582 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N2CCC[C@H](c3nc4ccc(F)cc4o3)C2)s[nH]1 ZINC000443853391 986056978 /nfs/dbraw/zinc/05/69/78/986056978.db2.gz BWHRHBGEEKAUAD-NSHDSACASA-N 0 2 403.483 3.949 20 0 HHADLN CCC1(CC)Oc2ccc(NS(=O)(=O)c3cccc(F)c3C(=O)OC)cc2O1 ZINC000468359237 986057073 /nfs/dbraw/zinc/05/70/73/986057073.db2.gz QNJGVSZQSFEHSY-UHFFFAOYSA-N 0 2 409.435 3.701 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(C)n[nH]c2c1 ZINC000468362495 986060045 /nfs/dbraw/zinc/06/00/45/986060045.db2.gz AJMCVZKPOZTDFE-NSHDSACASA-N 0 2 409.895 3.739 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000468362495 986060056 /nfs/dbraw/zinc/06/00/56/986060056.db2.gz AJMCVZKPOZTDFE-NSHDSACASA-N 0 2 409.895 3.739 20 0 HHADLN CN(CC(=O)Nc1cc(Cl)c(O)c(Cl)c1)C(=O)c1ccc(Br)o1 ZINC000463112942 986075179 /nfs/dbraw/zinc/07/51/79/986075179.db2.gz XCGVECQHTBSYCC-UHFFFAOYSA-N 0 2 422.062 3.765 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)ccc1C(N)=O ZINC000468376055 986075411 /nfs/dbraw/zinc/07/54/11/986075411.db2.gz YKXRZULREFPMTA-UHFFFAOYSA-N 0 2 408.907 3.727 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1ccc(-n2cnnc2)cc1 ZINC000463157292 986128878 /nfs/dbraw/zinc/12/88/78/986128878.db2.gz ASHFJSKGHWVBOK-UHFFFAOYSA-N 0 2 400.229 3.612 20 0 HHADLN Cc1ccc(C(=O)NCC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cc1C ZINC000463157881 986129967 /nfs/dbraw/zinc/12/99/67/986129967.db2.gz BJTPZHNRDJADEM-UHFFFAOYSA-N 0 2 418.284 3.764 20 0 HHADLN Cc1cc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)nn1[C@H](C)C1CC1 ZINC000463159210 986130721 /nfs/dbraw/zinc/13/07/21/986130721.db2.gz DQCBDBGSEMTPEG-SNVBAGLBSA-N 0 2 405.289 4.507 20 0 HHADLN Cc1cc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)nn1[C@@H](C)C1CC1 ZINC000463159207 986130852 /nfs/dbraw/zinc/13/08/52/986130852.db2.gz DQCBDBGSEMTPEG-JTQLQIEISA-N 0 2 405.289 4.507 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1ccc(C(F)(F)F)cn1 ZINC000463159888 986131657 /nfs/dbraw/zinc/13/16/57/986131657.db2.gz CUABPJJOVCXKRS-UHFFFAOYSA-N 0 2 402.163 4.445 20 0 HHADLN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463160493 986132457 /nfs/dbraw/zinc/13/24/57/986132457.db2.gz FHPDVWVUECWRKR-CQSZACIVSA-N 0 2 422.272 3.765 20 0 HHADLN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463176689 986149713 /nfs/dbraw/zinc/14/97/13/986149713.db2.gz ZIYYWRZCSSPESV-SECBINFHSA-N 0 2 407.305 3.946 20 0 HHADLN O=S(=O)(Nc1cccc(CN2CCOCC2)c1)c1c(Cl)cccc1Cl ZINC000444035233 986232111 /nfs/dbraw/zinc/23/21/11/986232111.db2.gz JCHAAAZVOBZOGU-UHFFFAOYSA-N 0 2 401.315 3.626 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000468541983 986247505 /nfs/dbraw/zinc/24/75/05/986247505.db2.gz MSYFGVBDWRPNHM-UHFFFAOYSA-N 0 2 406.435 3.670 20 0 HHADLN O=S(=O)(Nc1ncc(Cc2ccccc2)s1)c1cnc(-c2ccccc2)nc1 ZINC000444051236 986250464 /nfs/dbraw/zinc/25/04/64/986250464.db2.gz LXIMTZFZKRTORG-UHFFFAOYSA-N 0 2 408.508 3.992 20 0 HHADLN O=S(=O)(Nc1nc2cc3c(cc2s1)OCCO3)c1c(F)cccc1Cl ZINC000444058365 986259978 /nfs/dbraw/zinc/25/99/78/986259978.db2.gz XHNATKVWIFQVQX-UHFFFAOYSA-N 0 2 400.840 3.661 20 0 HHADLN C[C@H]1C(=O)CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1(C)C ZINC000444102541 986300896 /nfs/dbraw/zinc/30/08/96/986300896.db2.gz FDFWUVWCEWAFFG-WFASDCNBSA-N 0 2 421.544 3.524 20 0 HHADLN C[C@@H]1C(=O)CC[C@H](C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1(C)C ZINC000444102539 986301058 /nfs/dbraw/zinc/30/10/58/986301058.db2.gz FDFWUVWCEWAFFG-IUODEOHRSA-N 0 2 421.544 3.524 20 0 HHADLN O=C(NCc1cccc(NC(=O)C2CCCC2)c1)C1=NN(c2ccccc2)CC1=O ZINC000468610463 986324781 /nfs/dbraw/zinc/32/47/81/986324781.db2.gz SIUQZSOHPNILKQ-UHFFFAOYSA-N 0 2 404.470 3.637 20 0 HHADLN O=C(NCc1ccc(Oc2cccc(F)c2)nc1)C1=NN(c2ccccc2)CC1=O ZINC000468615280 986330602 /nfs/dbraw/zinc/33/06/02/986330602.db2.gz LWPCSIFMCZEFLW-UHFFFAOYSA-N 0 2 404.401 3.834 20 0 HHADLN O=C(NCc1ccc(Oc2cccnc2)c(F)c1)C1=NN(c2ccccc2)CC1=O ZINC000468616045 986331331 /nfs/dbraw/zinc/33/13/31/986331331.db2.gz AACAFGVYZNREPR-UHFFFAOYSA-N 0 2 404.401 3.834 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC(C(=O)c3ccccc3)CC2)=N1 ZINC000468731495 986445279 /nfs/dbraw/zinc/44/52/79/986445279.db2.gz BPLNKXWEFSAOBQ-UHFFFAOYSA-N 0 2 407.445 3.761 20 0 HHADLN Cc1ccccc1[C@H]1CN(C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)[C@H](C)CO1 ZINC000468744236 986457991 /nfs/dbraw/zinc/45/79/91/986457991.db2.gz PTINJXCHJFAAED-IIBYNOLFSA-N 0 2 409.461 3.936 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)=N1 ZINC000468750034 986464043 /nfs/dbraw/zinc/46/40/43/986464043.db2.gz URHSSEDTZOGWQT-XOBRGWDASA-N 0 2 413.424 3.767 20 0 HHADLN CCCc1csc(NS(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)n1 ZINC000468893026 986599873 /nfs/dbraw/zinc/59/98/73/986599873.db2.gz IPTJBAIPCWMBQH-LLVKDONJSA-N 0 2 404.941 3.964 20 0 HHADLN CC(F)(F)c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)c1 ZINC000444483011 986673145 /nfs/dbraw/zinc/67/31/45/986673145.db2.gz NRNQZBXTIVISLU-UHFFFAOYSA-N 0 2 410.442 3.541 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)[C@H]3C[C@H]3c3cc(F)c(F)c(F)c3)s[nH]2)c1 ZINC000463730008 986716424 /nfs/dbraw/zinc/71/64/24/986716424.db2.gz QJMGLBBSTISJFP-STQMWFEESA-N 0 2 405.401 3.795 20 0 HHADLN O=S(=O)(Nc1ccc(-c2ccccc2)nn1)c1ccc(OCC(F)(F)F)cc1 ZINC000469028050 986737137 /nfs/dbraw/zinc/73/71/37/986737137.db2.gz RNNIOUSLWKULMN-UHFFFAOYSA-N 0 2 409.389 3.886 20 0 HHADLN Cc1[nH]nc2ncc(NS(=O)(=O)c3cc(Cl)ccc3OCC3CCC3)cc12 ZINC000469065812 986777687 /nfs/dbraw/zinc/77/76/87/986777687.db2.gz UTEJQNCOWVBSKW-UHFFFAOYSA-N 0 2 406.895 3.899 20 0 HHADLN O=S(=O)(Nc1cnn(C(F)F)c1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000463797119 986788776 /nfs/dbraw/zinc/78/87/76/986788776.db2.gz HVEKIIOIZVHELQ-UHFFFAOYSA-N 0 2 420.157 3.860 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(C(C)(C)C)s1 ZINC000469091994 986806027 /nfs/dbraw/zinc/80/60/27/986806027.db2.gz WUMFTDYZNNUENI-JTQLQIEISA-N 0 2 419.956 3.704 20 0 HHADLN COc1cc(S(=O)(=O)Nc2nnc(-c3cc4cc(C)ccc4o3)o2)ccc1F ZINC000469182922 986907776 /nfs/dbraw/zinc/90/77/76/986907776.db2.gz YWIWFZDTINWSCH-UHFFFAOYSA-N 0 2 403.391 3.740 20 0 HHADLN CC[C@H](c1n[n-]c(=NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)s1)c1ccccc1 ZINC000444888577 987038637 /nfs/dbraw/zinc/03/86/37/987038637.db2.gz KLILCVAPDPXHTJ-SJORKVTESA-N 0 2 410.547 3.647 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CC[C@H](c4c(F)cccc4F)C3)s[nH]2)c1 ZINC000469656044 987313287 /nfs/dbraw/zinc/31/32/87/987313287.db2.gz WBQWITMULSSISE-ZDUSSCGKSA-N 0 2 416.453 3.935 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(-c3ccc(O)cc3F)no2)cc1 ZINC000445461760 987527575 /nfs/dbraw/zinc/52/75/75/987527575.db2.gz IHSVFQRQQKDDBX-UHFFFAOYSA-N 0 2 418.431 3.506 20 0 HHADLN CCc1c(C(=O)N=c2nc(-c3ccccc3)[nH]s2)cnn1-c1ccccc1OC ZINC000469927823 987555040 /nfs/dbraw/zinc/55/50/40/987555040.db2.gz ZKPFHGTYXJDKIP-UHFFFAOYSA-N 0 2 405.483 3.636 20 0 HHADLN CC(C)c1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)[nH]n1 ZINC000469971827 987588976 /nfs/dbraw/zinc/58/89/76/987588976.db2.gz IEUGOFBAZXTUGJ-UHFFFAOYSA-N 0 2 402.451 3.725 20 0 HHADLN O=C(N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)[C@@H]1CCc2c[nH]nc2C1 ZINC000463823006 987920618 /nfs/dbraw/zinc/92/06/18/987920618.db2.gz GDBIEBRKZKJCJI-OAHLLOKOSA-N 0 2 417.494 3.886 20 0 HHADLN CC(C)OC(=O)C[C@H]1CCCN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C1 ZINC000463950634 988061828 /nfs/dbraw/zinc/06/18/28/988061828.db2.gz LXISKSDEPVGMRS-CYBMUJFWSA-N 0 2 422.938 3.866 20 0 HHADLN C[S@@](=O)c1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1 ZINC000464001760 988112338 /nfs/dbraw/zinc/11/23/38/988112338.db2.gz BCVZTHJUSGNLQG-XMMPIXPASA-N 0 2 404.289 3.829 20 0 HHADLN COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2O[C@@H]2CCOC2)cc1Cl ZINC000470449517 988428533 /nfs/dbraw/zinc/42/85/33/988428533.db2.gz IRVWGLPKTJYOJC-LLVKDONJSA-N 0 2 418.298 3.971 20 0 HHADLN CCC1(CC)Oc2ccc(NC(=O)NCc3nnc(COc4ccccc4)[nH]3)cc2O1 ZINC000470538863 988545243 /nfs/dbraw/zinc/54/52/43/988545243.db2.gz XMTDATGOISDEAP-UHFFFAOYSA-N 0 2 423.473 3.993 20 0 HHADLN CSc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2cc(C)nc(C)n2)cc1Cl ZINC000464408981 988577967 /nfs/dbraw/zinc/57/79/67/988577967.db2.gz JFWYIUVBYXXODR-UHFFFAOYSA-N 0 2 423.951 3.764 20 0 HHADLN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)Nc2ccccc2Oc2ccccc2)c1 ZINC000464476664 988648192 /nfs/dbraw/zinc/64/81/92/988648192.db2.gz QFJLRZHIYGCNBI-UHFFFAOYSA-N 0 2 412.467 3.687 20 0 HHADLN CC[C@@H](CN(C)C(=O)c1c[nH]c2c(cnn2C)c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000470723903 988751908 /nfs/dbraw/zinc/75/19/08/988751908.db2.gz QFEZQIXASWIZPS-NSHDSACASA-N 0 2 423.300 3.910 20 0 HHADLN CC[C@H]1Oc2cc([C@H](C)NC(=O)N=c3nc(-c4ccccc4)[nH]s3)ccc2NC1=O ZINC000465061652 989386579 /nfs/dbraw/zinc/38/65/79/989386579.db2.gz RALRFRZBNUWAQV-BLLLJJGKSA-N 0 2 423.498 3.619 20 0 HHADLN Cc1sc(Br)cc1S(=O)(=O)Nc1nnc(-c2ccco2)s1 ZINC000471505989 989704135 /nfs/dbraw/zinc/70/41/35/989704135.db2.gz ZEJXOFORGYWNFX-UHFFFAOYSA-N 0 2 406.308 3.731 20 0 HHADLN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)cc1 ZINC000471513620 989712115 /nfs/dbraw/zinc/71/21/15/989712115.db2.gz WDRCRVWDSQBVFB-UHFFFAOYSA-N 0 2 422.557 3.549 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2ccc(Br)cc2F)c(C)cc1C ZINC000471570255 989771375 /nfs/dbraw/zinc/77/13/75/989771375.db2.gz LXQLYCVDPZXRNA-UHFFFAOYSA-N 0 2 416.268 3.792 20 0 HHADLN O=C1Cc2cc(NS(=O)(=O)c3cc(Cl)c(Br)cc3F)ccc2N1 ZINC000471618260 989822680 /nfs/dbraw/zinc/82/26/80/989822680.db2.gz KBQXEMBQUCBUIC-UHFFFAOYSA-N 0 2 419.659 3.537 20 0 HHADLN CCc1c(C(=O)N=c2nc(-c3ccsc3)[nH]s2)cnn1-c1ccc(OC)cc1 ZINC000471824220 990003795 /nfs/dbraw/zinc/00/37/95/990003795.db2.gz GFPIYTWQKQLWJM-UHFFFAOYSA-N 0 2 411.512 3.698 20 0 HHADLN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)c1 ZINC000471919592 990086641 /nfs/dbraw/zinc/08/66/41/990086641.db2.gz NZPZLSSVIMXNBR-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2c3c(nn2C(C)C)CCC3)c1 ZINC000471937647 990102208 /nfs/dbraw/zinc/10/22/08/990102208.db2.gz TZVKVZXPMRAUQG-UHFFFAOYSA-N 0 2 414.325 3.525 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000466246528 991481220 /nfs/dbraw/zinc/48/12/20/991481220.db2.gz BKUJEPLIAZBYHX-UHFFFAOYSA-N 0 2 402.403 3.600 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc2c(ccc3c2CCCC3)s1 ZINC000466379763 991663688 /nfs/dbraw/zinc/66/36/88/991663688.db2.gz GFQSMAWBYLGHNL-UHFFFAOYSA-N 0 2 420.487 3.902 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CC(=O)NCc4cccc(F)c4)nc(=O)c3s2)cc1 ZINC000466429023 991717983 /nfs/dbraw/zinc/71/79/83/991717983.db2.gz UQAQUPLUZGOIEV-UHFFFAOYSA-N 0 2 423.469 3.658 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000466472811 991763908 /nfs/dbraw/zinc/76/39/08/991763908.db2.gz INYUKIQTWOMIRE-INIZCTEOSA-N 0 2 400.891 3.886 20 0 HHADLN CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)[nH]n1 ZINC000466957899 992267771 /nfs/dbraw/zinc/26/77/71/992267771.db2.gz OADQECSHKCQSRC-ZIAGYGMSSA-N 0 2 411.499 3.669 20 0 HHADLN COC(=O)c1cc2cc(NC(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)ccc2o1 ZINC000467142945 992458832 /nfs/dbraw/zinc/45/88/32/992458832.db2.gz BFCKKUXMHHGGAW-UHFFFAOYSA-N 0 2 412.427 3.594 20 0 HHADLN COCc1cccc2sc(NC(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)nc21 ZINC000467330952 992653666 /nfs/dbraw/zinc/65/36/66/992653666.db2.gz KRZGCWAAGZNMHF-UHFFFAOYSA-N 0 2 415.500 3.817 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)ccc1C ZINC000467432194 992730738 /nfs/dbraw/zinc/73/07/38/992730738.db2.gz ABZFPRVYYTVTAH-UHFFFAOYSA-N 0 2 402.497 3.630 20 0 HHADLN Cc1c(NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cnn1-c1ccccc1F ZINC000467459227 992752188 /nfs/dbraw/zinc/75/21/88/992752188.db2.gz RTKZADQPHXPWJH-UHFFFAOYSA-N 0 2 412.450 3.694 20 0 HHADLN COCCC1(CNC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)CCCCC1 ZINC000481148702 993982066 /nfs/dbraw/zinc/98/20/66/993982066.db2.gz NIDMTDGALGCEOS-UHFFFAOYSA-N 0 2 404.536 3.744 20 0 HHADLN Cc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473477390 994321608 /nfs/dbraw/zinc/32/16/08/994321608.db2.gz GOOXNICSBOYWAP-UHFFFAOYSA-N 0 2 412.291 3.645 20 0 HHADLN Cc1cccc(OC(F)F)c1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473668308 994556201 /nfs/dbraw/zinc/55/62/01/994556201.db2.gz YDXPAQYQHXQFEN-UHFFFAOYSA-N 0 2 403.389 3.615 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)c(Br)c1 ZINC000481816960 994667475 /nfs/dbraw/zinc/66/74/75/994667475.db2.gz SOJJGOIHCVBXKG-UHFFFAOYSA-N 0 2 417.350 3.984 20 0 HHADLN CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1 ZINC000473762183 994676391 /nfs/dbraw/zinc/67/63/91/994676391.db2.gz FIFZWUNOWJLXDG-UHFFFAOYSA-N 0 2 422.528 3.584 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(CC(C)(C)C)n[nH]2)c(Br)c1 ZINC000481825075 994676705 /nfs/dbraw/zinc/67/67/05/994676705.db2.gz ZOPCCYPLPWSPST-UHFFFAOYSA-N 0 2 402.314 3.570 20 0 HHADLN Cc1cc2c(cc1S(=O)(=O)Nc1nnc(-c3ccc4ccccc4c3)o1)OCO2 ZINC000481843223 994698076 /nfs/dbraw/zinc/69/80/76/994698076.db2.gz DPKIFRPHNJXQDO-UHFFFAOYSA-N 0 2 409.423 3.728 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2)o1)c1ccc(F)cc1C(F)(F)F ZINC000481865304 994726306 /nfs/dbraw/zinc/72/63/06/994726306.db2.gz IRLPMCSKXITQIX-UHFFFAOYSA-N 0 2 401.341 3.619 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2cccc3cnccc32)nc1)c1ccccc1 ZINC000481874557 994739568 /nfs/dbraw/zinc/73/95/68/994739568.db2.gz ZHKHLVFNYVAMMM-UHFFFAOYSA-N 0 2 404.451 3.683 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(Cc3ccccc3)o2)sc1Br ZINC000481884116 994749392 /nfs/dbraw/zinc/74/93/92/994749392.db2.gz UGFHXXLUUWQFHK-UHFFFAOYSA-N 0 2 414.306 3.594 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nc2cc(F)c(C)cc2s1 ZINC000481889178 994756837 /nfs/dbraw/zinc/75/68/37/994756837.db2.gz PGTOWHJAVMZZKZ-UHFFFAOYSA-N 0 2 414.867 3.985 20 0 HHADLN Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000481965384 994853767 /nfs/dbraw/zinc/85/37/67/994853767.db2.gz XPOLQRIKDVDKCC-UHFFFAOYSA-N 0 2 418.441 3.605 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NCc1ccc(F)cc1C(F)(F)F ZINC000473898076 994854600 /nfs/dbraw/zinc/85/46/00/994854600.db2.gz YJGNLAJQAUVOAV-UHFFFAOYSA-N 0 2 423.370 3.541 20 0 HHADLN Cc1nc(NS(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)oc1C ZINC000481966039 994854696 /nfs/dbraw/zinc/85/46/96/994854696.db2.gz SSWUKFYPCWWFSF-UHFFFAOYSA-N 0 2 414.306 3.978 20 0 HHADLN CCOC(=O)c1oc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)nc1C ZINC000481967467 994856641 /nfs/dbraw/zinc/85/66/41/994856641.db2.gz YQASYMDPLFIUMG-UHFFFAOYSA-N 0 2 412.773 3.633 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1CCSc2ccc(F)cc21 ZINC000473899184 994856691 /nfs/dbraw/zinc/85/66/91/994856691.db2.gz YZJSWBRFKGSXKY-INIZCTEOSA-N 0 2 413.478 3.559 20 0 HHADLN Cn1cc(-c2[nH]ncc2C(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)cn1 ZINC000482054100 994980586 /nfs/dbraw/zinc/98/05/86/994980586.db2.gz KZLJSNKILAZAGM-UHFFFAOYSA-N 0 2 403.273 3.571 20 0 HHADLN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474001552 994990683 /nfs/dbraw/zinc/99/06/83/994990683.db2.gz SDQZFYVXGYOROA-ZHRRBRCNSA-N 0 2 405.502 3.897 20 0 HHADLN C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474001550 994991342 /nfs/dbraw/zinc/99/13/42/994991342.db2.gz SDQZFYVXGYOROA-KSFYIVLOSA-N 0 2 405.502 3.897 20 0 HHADLN CCCN(C(=O)NCc1nnc(COc2ccccc2)[nH]1)[C@H]1CCc2ccccc21 ZINC000474076104 995061202 /nfs/dbraw/zinc/06/12/02/995061202.db2.gz ASBIIPRCKIUFGZ-FQEVSTJZSA-N 0 2 405.502 3.993 20 0 HHADLN CC(C)Oc1cccc(CN(C)C(=O)NCc2nnc(COc3ccccc3)[nH]2)c1 ZINC000474077875 995062872 /nfs/dbraw/zinc/06/28/72/995062872.db2.gz DDUOXXMLQMYNMB-UHFFFAOYSA-N 0 2 409.490 3.513 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NC1(c2ccc(F)cc2F)CCC1 ZINC000474078421 995064050 /nfs/dbraw/zinc/06/40/50/995064050.db2.gz IEXXRFOAFSGQFF-UHFFFAOYSA-N 0 2 413.428 3.541 20 0 HHADLN CN(Cc1ccc(F)cc1Cl)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474086976 995069271 /nfs/dbraw/zinc/06/92/71/995069271.db2.gz CTFQAQSBTJPGQX-UHFFFAOYSA-N 0 2 403.845 3.518 20 0 HHADLN CN(Cc1ccc2ccccc2c1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474087873 995070835 /nfs/dbraw/zinc/07/08/35/995070835.db2.gz GPEDEXYXJZZFTO-UHFFFAOYSA-N 0 2 401.470 3.879 20 0 HHADLN C[C@H]1C[C@@H]1c1ccc(CN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C2CC2)o1 ZINC000474096446 995078319 /nfs/dbraw/zinc/07/83/19/995078319.db2.gz OWTBKVCQBVPPLO-KXBFYZLASA-N 0 2 421.501 3.974 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)[C@H]1CCSC1 ZINC000474159465 995143366 /nfs/dbraw/zinc/14/33/66/995143366.db2.gz ITBKGAHQFGVSJN-NSHDSACASA-N 0 2 414.911 3.972 20 0 HHADLN CCCCCOc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccc(C)nn2)cc1 ZINC000474421179 995385201 /nfs/dbraw/zinc/38/52/01/995385201.db2.gz JDAKCRCUKNFWOC-UHFFFAOYSA-N 0 2 415.519 3.649 20 0 HHADLN Cc1ccc(OCCCC(=O)NCc2nnc(COc3ccccc3)[nH]2)c(Cl)c1 ZINC000474572539 995534833 /nfs/dbraw/zinc/53/48/33/995534833.db2.gz FYUFUUKIMMWNFL-UHFFFAOYSA-N 0 2 414.893 3.821 20 0 HHADLN C[C@H](Sc1ccccc1Cl)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474577583 995538470 /nfs/dbraw/zinc/53/84/70/995538470.db2.gz NBUMFOGRGAMQFF-ZDUSSCGKSA-N 0 2 402.907 3.834 20 0 HHADLN O=C(CCCOc1ccc2c(c1)CCCC2)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474592062 995550558 /nfs/dbraw/zinc/55/05/58/995550558.db2.gz FEWDYXMSNDTGAO-UHFFFAOYSA-N 0 2 420.513 3.738 20 0 HHADLN O=C(CCCc1ncc(-c2ccccc2)o1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474593720 995552278 /nfs/dbraw/zinc/55/22/78/995552278.db2.gz TVIPHZNNBASHOQ-UHFFFAOYSA-N 0 2 417.469 3.678 20 0 HHADLN COc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1NC(=O)c1cccc(F)c1 ZINC000482648216 995643024 /nfs/dbraw/zinc/64/30/24/995643024.db2.gz KHXYMPGSRNUVGW-UHFFFAOYSA-N 0 2 405.389 3.610 20 0 HHADLN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000483226854 996047610 /nfs/dbraw/zinc/04/76/10/996047610.db2.gz SUPMUSHYKNWBCF-VIFPVBQESA-N 0 2 410.375 3.729 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)[C@H]1CCCN1c1nccs1 ZINC000483392500 996147309 /nfs/dbraw/zinc/14/73/09/996147309.db2.gz HZSLCCAYXMVSLF-GFCCVEGCSA-N 0 2 409.302 3.843 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)cc1F ZINC000475732343 996331629 /nfs/dbraw/zinc/33/16/29/996331629.db2.gz QDKKXYFBIZTUBK-UHFFFAOYSA-N 0 2 400.834 3.620 20 0 HHADLN Cc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2cc(F)c(C)cc2F)cc1 ZINC000475739496 996338149 /nfs/dbraw/zinc/33/81/49/996338149.db2.gz VKRPSXSRWRRDHF-UHFFFAOYSA-N 0 2 407.398 3.623 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2cc(F)cc(NCC(F)(F)F)c2)c1 ZINC000475792684 996374116 /nfs/dbraw/zinc/37/41/16/996374116.db2.gz CWKLFSMJQPJNQB-UHFFFAOYSA-N 0 2 408.373 3.618 20 0 HHADLN CNC(=O)c1cc2cc(NS(=O)(=O)c3cc(Cl)sc3Cl)ccc2[nH]1 ZINC000475839093 996407062 /nfs/dbraw/zinc/40/70/62/996407062.db2.gz ZAKWPHRHTZDNBD-UHFFFAOYSA-N 0 2 404.300 3.697 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)cc1C ZINC000484086173 996562109 /nfs/dbraw/zinc/56/21/09/996562109.db2.gz DOLWDPBICLIMBV-UHFFFAOYSA-N 0 2 422.466 3.521 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000484109211 996575123 /nfs/dbraw/zinc/57/51/23/996575123.db2.gz PHXQMJNEBKDZCF-UHFFFAOYSA-N 0 2 411.451 3.554 20 0 HHADLN O=S(=O)(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cc(F)c(F)c(F)c1 ZINC000484139213 996593183 /nfs/dbraw/zinc/59/31/83/996593183.db2.gz JICDYIGMDQRKSX-UHFFFAOYSA-N 0 2 404.373 3.843 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccc(F)cc1)c1ccc(Br)cc1 ZINC000476241033 996699627 /nfs/dbraw/zinc/69/96/27/996699627.db2.gz XDSSVDQDXNSABI-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3c(C)nc(C(C)C)nc3SC)s[nH]2)c1 ZINC000476349758 996771567 /nfs/dbraw/zinc/77/15/67/996771567.db2.gz NCIBUMQFZXGKGL-UHFFFAOYSA-N 0 2 415.544 3.832 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)CCc3ccccc3Br)s[nH]2)c1 ZINC000476360074 996788164 /nfs/dbraw/zinc/78/81/64/996788164.db2.gz ZUOSRLKZXNVICR-UHFFFAOYSA-N 0 2 418.316 3.969 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(C)cc2OC)cc1Br ZINC000476385686 996829890 /nfs/dbraw/zinc/82/98/90/996829890.db2.gz BASAIBLQRHCGHI-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccccc2OC2CCCC2)c1 ZINC000476420663 996886289 /nfs/dbraw/zinc/88/62/89/996886289.db2.gz WNACYEWMZZMLOZ-UHFFFAOYSA-N 0 2 405.472 3.604 20 0 HHADLN CC[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccs1 ZINC000476421696 996887591 /nfs/dbraw/zinc/88/75/91/996887591.db2.gz ZNEIFZJHNRDDKK-CQSZACIVSA-N 0 2 407.542 3.887 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nnc(-c3cccs3)o2)c(Br)c1 ZINC000476429630 996899269 /nfs/dbraw/zinc/89/92/69/996899269.db2.gz NCSHNFSCNJTLIX-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3ccc(OC)c(C)c3C)o2)cc1 ZINC000476441897 996913821 /nfs/dbraw/zinc/91/38/21/996913821.db2.gz GOGFXBMNACHIKF-UHFFFAOYSA-N 0 2 403.460 3.562 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccccc1-c1ccccc1 ZINC000476447858 996920659 /nfs/dbraw/zinc/92/06/59/996920659.db2.gz IFNTVGWJQLMONF-UHFFFAOYSA-N 0 2 421.434 3.933 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3cc(C)c(OC)cc3C)o2)cc1 ZINC000476456512 996930852 /nfs/dbraw/zinc/93/08/52/996930852.db2.gz YNVIFPSTQOPJKO-UHFFFAOYSA-N 0 2 403.460 3.562 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000484663487 997002157 /nfs/dbraw/zinc/00/21/57/997002157.db2.gz LUOPDIBVOJGVCW-UHFFFAOYSA-N 0 2 406.485 3.861 20 0 HHADLN CC(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476525553 997014172 /nfs/dbraw/zinc/01/41/72/997014172.db2.gz LYKSVAWRWUASMP-DLBZAZTESA-N 0 2 407.561 3.889 20 0 HHADLN Cc1cc(C)cc(CCNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000476548428 997040984 /nfs/dbraw/zinc/04/09/84/997040984.db2.gz YJEPPGFHCPWPHZ-UHFFFAOYSA-N 0 2 415.540 3.533 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4cn[nH]c43)ccc2C)cc1 ZINC000484784786 997133371 /nfs/dbraw/zinc/13/33/71/997133371.db2.gz MCTUOFCFGXOMPY-LJQANCHMSA-N 0 2 424.526 3.635 20 0 HHADLN O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476684360 997224588 /nfs/dbraw/zinc/22/45/88/997224588.db2.gz FFNLITDLLHCPFT-CWRNSKLLSA-N 0 2 405.545 3.643 20 0 HHADLN C[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476686793 997226948 /nfs/dbraw/zinc/22/69/48/997226948.db2.gz FVNISULXYIVLOY-CQSZACIVSA-N 0 2 413.524 3.531 20 0 HHADLN CC(C)(C(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc(Cl)cc1F ZINC000476695122 997235927 /nfs/dbraw/zinc/23/59/27/997235927.db2.gz JCZBOTDHJVSYBU-UHFFFAOYSA-N 0 2 402.857 3.770 20 0 HHADLN C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)[C@@H]1c1ccccc1 ZINC000476696137 997236700 /nfs/dbraw/zinc/23/67/00/997236700.db2.gz VMTZRFVONOVUBT-KSSFIOAISA-N 0 2 413.524 3.777 20 0 HHADLN CCN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc(OC)c1 ZINC000476716335 997260835 /nfs/dbraw/zinc/26/08/35/997260835.db2.gz MAGHGNSMSCLEEI-UHFFFAOYSA-N 0 2 417.512 3.619 20 0 HHADLN Cc1ccc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000476724176 997271653 /nfs/dbraw/zinc/27/16/53/997271653.db2.gz XUMHEQCXHBJOCO-CQSZACIVSA-N 0 2 401.513 3.743 20 0 HHADLN C[C@H](c1ccccc1F)N(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476732415 997284037 /nfs/dbraw/zinc/28/40/37/997284037.db2.gz YOLXTMIJIWWPQZ-CYBMUJFWSA-N 0 2 419.503 3.916 20 0 HHADLN CCOc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476772675 997330652 /nfs/dbraw/zinc/33/06/52/997330652.db2.gz XLHQQWSMLOOFCQ-UHFFFAOYSA-N 0 2 421.475 3.734 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cc(Br)c(F)cc2F)cc1C ZINC000485026441 997390474 /nfs/dbraw/zinc/39/04/74/997390474.db2.gz SYEPBECSMBMCHO-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)s[nH]1 ZINC000476838200 997399558 /nfs/dbraw/zinc/39/95/58/997399558.db2.gz QXBKTCCYWHOAQD-UHFFFAOYSA-N 0 2 412.437 3.655 20 0 HHADLN O=S(=O)(Nc1ccc(-n2cccn2)c(F)c1)c1cc(C(F)(F)F)ccc1F ZINC000485078332 997448333 /nfs/dbraw/zinc/44/83/33/997448333.db2.gz MCWLXEHQNTYHOJ-UHFFFAOYSA-N 0 2 403.332 3.970 20 0 HHADLN Cc1ccc(-c2nsc(NS(=O)(=O)c3ccc(Br)cc3)n2)s1 ZINC000476873943 997451499 /nfs/dbraw/zinc/45/14/99/997451499.db2.gz PRLRRLDDIWSSCQ-UHFFFAOYSA-N 0 2 416.347 3.560 20 0 HHADLN Cc1ccc(-c2nsc(NS(=O)(=O)c3cccc(Br)c3)n2)s1 ZINC000476874955 997452286 /nfs/dbraw/zinc/45/22/86/997452286.db2.gz RWIUOEUJARQTMH-UHFFFAOYSA-N 0 2 416.347 3.560 20 0 HHADLN COc1cc(S(=O)(=O)Nc2ccnn2-c2ccccc2C)ccc1Br ZINC000476907886 997514194 /nfs/dbraw/zinc/51/41/94/997514194.db2.gz ITHFRBMXRDZCNZ-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN Cc1cc(F)cc(S(=O)(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1 ZINC000476908860 997515598 /nfs/dbraw/zinc/51/55/98/997515598.db2.gz NBEHXRSPOILOJW-UHFFFAOYSA-N 0 2 417.531 3.950 20 0 HHADLN COCCOc1cc(C)ccc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000485143525 997527753 /nfs/dbraw/zinc/52/77/53/997527753.db2.gz JDKHLYKDRXRVSX-UHFFFAOYSA-N 0 2 407.385 3.979 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2nc(C3CC3)cs2)cc1Br ZINC000476933908 997549291 /nfs/dbraw/zinc/54/92/91/997549291.db2.gz RHVWNMYMJHWOOX-UHFFFAOYSA-N 0 2 419.322 3.601 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(Cl)cc2F)nc1C(C)(C)C ZINC000476941980 997557369 /nfs/dbraw/zinc/55/73/69/997557369.db2.gz QPABEARFSCQPQT-UHFFFAOYSA-N 0 2 406.888 3.821 20 0 HHADLN O=C(Nc1scnc1C1CC1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000477097801 997751381 /nfs/dbraw/zinc/75/13/81/997751381.db2.gz IRYLTDQJSHUISN-UHFFFAOYSA-N 0 2 406.514 3.530 20 0 HHADLN C[C@@H](c1ccccn1)N(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485356404 997780398 /nfs/dbraw/zinc/78/03/98/997780398.db2.gz KBXODRSNUFSPKC-ZDUSSCGKSA-N 0 2 417.516 3.564 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)NC1(c2ccccc2)CC1 ZINC000485374519 997801381 /nfs/dbraw/zinc/80/13/81/997801381.db2.gz GQYPPPMWCSLTPD-UHFFFAOYSA-N 0 2 414.512 3.755 20 0 HHADLN CC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccncc1 ZINC000485374805 997801491 /nfs/dbraw/zinc/80/14/91/997801491.db2.gz XHVTUMJHKSSGOK-MRXNPFEDSA-N 0 2 417.516 3.612 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1)NC1CC1 ZINC000485384039 997811760 /nfs/dbraw/zinc/81/17/60/997811760.db2.gz SYISLAJZLDDNFZ-UHFFFAOYSA-N 0 2 417.384 3.929 20 0 HHADLN COC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000485390835 997819058 /nfs/dbraw/zinc/81/90/58/997819058.db2.gz NSHBPKREJQCHQS-UHFFFAOYSA-N 0 2 404.669 3.690 20 0 HHADLN COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(Br)c(F)cc2F)c1 ZINC000485449597 997890950 /nfs/dbraw/zinc/89/09/50/997890950.db2.gz FGOABZKSOQARDF-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN O=C(CCCc1cccs1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485489744 997942381 /nfs/dbraw/zinc/94/23/81/997942381.db2.gz JWNBZBGDVHIWCE-UHFFFAOYSA-N 0 2 407.542 3.967 20 0 HHADLN Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000485493033 997946707 /nfs/dbraw/zinc/94/67/07/997946707.db2.gz MHVKPFPKFMIAFA-AWEZNQCLSA-N 0 2 417.512 3.658 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(C4CCCCC4)nn3C)cc2C[C@@H]1C ZINC000477373562 998060600 /nfs/dbraw/zinc/06/06/00/998060600.db2.gz HGYDYRZWWGNUHN-AWEZNQCLSA-N 0 2 416.547 3.566 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)cc1OC ZINC000477467366 998182890 /nfs/dbraw/zinc/18/28/90/998182890.db2.gz IEWKWZOGOIIFEG-UHFFFAOYSA-N 0 2 406.435 3.916 20 0 HHADLN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000485780645 998253914 /nfs/dbraw/zinc/25/39/14/998253914.db2.gz GEBOAQAUXMBFFE-UHFFFAOYSA-N 0 2 401.470 3.673 20 0 HHADLN CC(C)CCn1ncc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)c1C(C)C ZINC000486109725 998557036 /nfs/dbraw/zinc/55/70/36/998557036.db2.gz NYBFKOOBFGYXPO-UHFFFAOYSA-N 0 2 407.462 3.612 20 0 HHADLN C[NH+](C)Cc1ccc(NC(=O)c2cc(Cl)ccc2[N-]S(C)(=O)=O)cc1Cl ZINC000478040169 998729170 /nfs/dbraw/zinc/72/91/70/998729170.db2.gz KOBFZFASDYAEHC-UHFFFAOYSA-N 0 2 416.330 3.679 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1cc(F)cc(F)c1 ZINC000486524486 998807385 /nfs/dbraw/zinc/80/73/85/998807385.db2.gz ZYDAQJNLGPHAHL-UHFFFAOYSA-N 0 2 405.213 3.653 20 0 HHADLN COCCc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)n(C)n1 ZINC000486572090 998833929 /nfs/dbraw/zinc/83/39/29/998833929.db2.gz NVDWEUGZBOSSCT-UHFFFAOYSA-N 0 2 421.906 3.856 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 ZINC000486613146 998857556 /nfs/dbraw/zinc/85/75/56/998857556.db2.gz VZGOADPLWHDSDX-UHFFFAOYSA-N 0 2 408.476 3.691 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)c1 ZINC000486645445 998873155 /nfs/dbraw/zinc/87/31/55/998873155.db2.gz LOSWCBJBJVMSST-UHFFFAOYSA-N 0 2 422.503 3.999 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)ns2)cc1Br ZINC000486747995 998920822 /nfs/dbraw/zinc/92/08/22/998920822.db2.gz OKLHUGMNGQOWEH-UHFFFAOYSA-N 0 2 416.347 3.560 20 0 HHADLN O=C(NCC1(c2ccccc2)CCOCC1)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000478466950 998975873 /nfs/dbraw/zinc/97/58/73/998975873.db2.gz JNVIBAZDAZWGJK-UHFFFAOYSA-N 0 2 411.889 3.710 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NC[C@@H](c1ccccc1)C(F)(F)F ZINC000486886002 998991416 /nfs/dbraw/zinc/99/14/16/998991416.db2.gz LRDMWOBVBSQFRF-INIZCTEOSA-N 0 2 419.407 3.529 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2nc(-c3cccs3)ns2)c1Br ZINC000486888328 998992757 /nfs/dbraw/zinc/99/27/57/998992757.db2.gz RLBMEULDJMINEH-UHFFFAOYSA-N 0 2 416.347 3.560 20 0 HHADLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2cnn(-c3cc(Cl)ccc3OC)c2)cn1 ZINC000478678355 999084139 /nfs/dbraw/zinc/08/41/39/999084139.db2.gz OQHRWASZTTUCMJ-GFCCVEGCSA-N 0 2 421.910 3.639 20 0 HHADLN CC[C@H](C)c1nnc([C@H](C)NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)[nH]1 ZINC000487196026 999093425 /nfs/dbraw/zinc/09/34/25/999093425.db2.gz GXFYVUZDOZTCQA-UWVGGRQHSA-N 0 2 405.915 3.795 20 0 HHADLN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3cnc(C(C)C)nc3)ccc2s1 ZINC000478704099 999097567 /nfs/dbraw/zinc/09/75/67/999097567.db2.gz ODAVHSOCSBOWHH-UHFFFAOYSA-N 0 2 405.501 3.792 20 0 HHADLN COC(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(OC)ccc1Cl ZINC000487284300 999123746 /nfs/dbraw/zinc/12/37/46/999123746.db2.gz DFHAKROIPJRNNE-UHFFFAOYSA-N 0 2 423.796 3.955 20 0 HHADLN CCCNC(=O)c1ccc(NS(=O)(=O)c2cc(OC)ccc2Cl)cc1Cl ZINC000487362627 999147866 /nfs/dbraw/zinc/14/78/66/999147866.db2.gz WGTMQXNHWZOECK-UHFFFAOYSA-N 0 2 417.314 3.943 20 0 HHADLN COc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1NC(N)=O ZINC000487378626 999153525 /nfs/dbraw/zinc/15/35/25/999153525.db2.gz NAFXWHQPLRASPU-UHFFFAOYSA-N 0 2 424.693 3.947 20 0 HHADLN C[C@@H](NC(=O)N=c1nc(-c2ccccc2)[nH]s1)c1ccc(Br)cn1 ZINC000478901269 999201451 /nfs/dbraw/zinc/20/14/51/999201451.db2.gz MCOWYGLRIHPBJZ-SNVBAGLBSA-N 0 2 404.293 3.667 20 0 HHADLN O=S(=O)(Nc1nc(/C=C/c2ccccc2)cs1)c1cnn(CC(F)(F)F)c1 ZINC000479061562 999274658 /nfs/dbraw/zinc/27/46/58/999274658.db2.gz OJCBTLTZBSUATO-VOTSOKGWSA-N 0 2 414.434 3.873 20 0 HHADLN CCS(=O)(=O)Nc1nc(-c2ccc(OC(F)F)cc2OC(F)F)cs1 ZINC000479063998 999276126 /nfs/dbraw/zinc/27/61/26/999276126.db2.gz DQUCUSXSNYBHCH-UHFFFAOYSA-N 0 2 400.375 3.775 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1nc(C2CC2)cs1 ZINC000479079104 999284160 /nfs/dbraw/zinc/28/41/60/999284160.db2.gz LLCGHXLFIRAHRE-UHFFFAOYSA-N 0 2 402.925 3.890 20 0 HHADLN O=S(=O)(Nc1cccc(N2CCCCCC2)c1)c1cnn(CC(F)(F)F)c1 ZINC000479087092 999287526 /nfs/dbraw/zinc/28/75/26/999287526.db2.gz ZWDNDPHGDITCSS-UHFFFAOYSA-N 0 2 402.442 3.627 20 0 HHADLN O=S(=O)(Nc1cccc(OCC(F)F)n1)c1ccc(F)c(C(F)(F)F)c1 ZINC000479192703 999319366 /nfs/dbraw/zinc/31/93/66/999319366.db2.gz LZFRYEOLRTUNCR-UHFFFAOYSA-N 0 2 400.300 3.684 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3C)nn2C)cc1Cl ZINC000479254620 999349542 /nfs/dbraw/zinc/34/95/42/999349542.db2.gz FFTIVKKACVHLHG-UHFFFAOYSA-N 0 2 418.906 3.808 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccccn1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488260678 999414282 /nfs/dbraw/zinc/41/42/82/999414282.db2.gz HNIAJQCDLKWEFT-UHFFFAOYSA-N 0 2 416.812 3.799 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cc(Cl)c(OC)c(Cl)c2)c(OC)c1 ZINC000488303700 999431125 /nfs/dbraw/zinc/43/11/25/999431125.db2.gz BMQDYZQPENRFRY-UHFFFAOYSA-N 0 2 422.286 3.829 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC000479480978 999436213 /nfs/dbraw/zinc/43/62/13/999436213.db2.gz PVZXMAYNNYLYPZ-UHFFFAOYSA-N 0 2 418.906 3.743 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2ncon2)cc1 ZINC000479482109 999436777 /nfs/dbraw/zinc/43/67/77/999436777.db2.gz RYFAOJOIMLQSKT-UHFFFAOYSA-N 0 2 423.878 3.606 20 0 HHADLN O=S(=O)(Nc1ccc(COc2ccccc2)cc1)c1cnn(CC(F)(F)F)c1 ZINC000479504527 999448317 /nfs/dbraw/zinc/44/83/17/999448317.db2.gz UBIOBDIVPWDZSE-UHFFFAOYSA-N 0 2 411.405 3.825 20 0 HHADLN O=S(=O)(Nc1ccc(OC2CCCC2)c(F)c1)c1cnn(CC(F)(F)F)c1 ZINC000479511617 999452692 /nfs/dbraw/zinc/45/26/92/999452692.db2.gz LLTYZOFEVNLVJH-UHFFFAOYSA-N 0 2 407.389 3.707 20 0 HHADLN CC(C)c1nc2ccc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)cc2s1 ZINC000479512358 999452975 /nfs/dbraw/zinc/45/29/75/999452975.db2.gz MQQZUODWIHAVRG-UHFFFAOYSA-N 0 2 404.439 3.979 20 0 HHADLN COc1ccc(Cn2ccc(NS(=O)(=O)c3ccc(OCC(C)C)cc3)n2)cc1 ZINC000488358043 999455127 /nfs/dbraw/zinc/45/51/27/999455127.db2.gz WLHKQGHXXBXKSO-UHFFFAOYSA-N 0 2 415.515 3.776 20 0 HHADLN O=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1ccc(Br)cc1F ZINC000479520265 999457501 /nfs/dbraw/zinc/45/75/01/999457501.db2.gz WWSHYQUOCLGBSL-UHFFFAOYSA-N 0 2 424.251 3.971 20 0 HHADLN COc1cc(C)c(NS(=O)(=O)c2cc(Br)c(F)cc2F)cc1F ZINC000479542785 999468928 /nfs/dbraw/zinc/46/89/28/999468928.db2.gz YAFMQOCGCPILID-UHFFFAOYSA-N 0 2 410.211 3.984 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cc(F)cc(F)c1 ZINC000488393492 999472470 /nfs/dbraw/zinc/47/24/70/999472470.db2.gz GGQRPXHOZNRZJE-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccc2c(c1)CCO2 ZINC000488400967 999475629 /nfs/dbraw/zinc/47/56/29/999475629.db2.gz UHMVSBKDCLBVTB-UHFFFAOYSA-N 0 2 407.904 3.518 20 0 HHADLN O=C1CCc2cc(NS(=O)(=O)c3ccc(Cl)cc3F)ccc2N1CC1CC1 ZINC000479558375 999476759 /nfs/dbraw/zinc/47/67/59/999476759.db2.gz OIBGSJFFXIGOGI-UHFFFAOYSA-N 0 2 408.882 3.969 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c(C)c1 ZINC000488414380 999480230 /nfs/dbraw/zinc/48/02/30/999480230.db2.gz DWWUSVJHOXXEPG-UHFFFAOYSA-N 0 2 409.920 3.900 20 0 HHADLN CCOc1c(Cl)cc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1Cl ZINC000479583122 999489867 /nfs/dbraw/zinc/48/98/67/999489867.db2.gz VYRSDUICXSWUPZ-UHFFFAOYSA-N 0 2 418.224 3.952 20 0 HHADLN CCCCn1ccnc1-c1cccc(NS(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC000488465099 999495328 /nfs/dbraw/zinc/49/53/28/999495328.db2.gz UJEJLGPHOFBDSI-UHFFFAOYSA-N 0 2 409.462 3.613 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)COCC2)c1cc(Cl)ccc1OCCC1CC1 ZINC000488560023 999528059 /nfs/dbraw/zinc/52/80/59/999528059.db2.gz BWRUSZBPIPRMBU-UHFFFAOYSA-N 0 2 414.936 3.849 20 0 HHADLN O=S(=O)(Nc1nc2c(cccc2C(F)(F)F)s1)c1cnn(CC(F)F)c1 ZINC000488568916 999530970 /nfs/dbraw/zinc/53/09/70/999530970.db2.gz XYVBMBPGVBKSDR-UHFFFAOYSA-N 0 2 412.365 3.578 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)c(OC)c1 ZINC000488575668 999532828 /nfs/dbraw/zinc/53/28/28/999532828.db2.gz TYZOUGBMYMMEBD-UHFFFAOYSA-N 0 2 414.892 3.776 20 0 HHADLN Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(OCCC(C)C)cc2)c1 ZINC000479974449 999670087 /nfs/dbraw/zinc/67/00/87/999670087.db2.gz FRHSWYLAFWLHNR-UHFFFAOYSA-N 0 2 400.504 3.801 20 0 HHADLN Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)c1 ZINC000479992202 999677617 /nfs/dbraw/zinc/67/76/17/999677617.db2.gz UKLZYOCSODUUML-UHFFFAOYSA-N 0 2 414.821 3.631 20 0 HHADLN CCOC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccc(NC(=O)CC)cc1 ZINC000480103480 999718061 /nfs/dbraw/zinc/71/80/61/999718061.db2.gz NFPMMFGJAVHJHD-UHFFFAOYSA-N 0 2 410.517 3.691 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000480180007 999737956 /nfs/dbraw/zinc/73/79/56/999737956.db2.gz OZRPGOQTXBEQRC-XJKSGUPXSA-N 0 2 418.881 3.759 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000480182105 999738463 /nfs/dbraw/zinc/73/84/63/999738463.db2.gz UDGFXUWOJAAIOP-OAHLLOKOSA-N 0 2 420.844 3.592 20 0 HHADLN CCCOc1ccc(S(=O)(=O)Nc2noc(COc3ccc(C)cc3)n2)cc1 ZINC000480195420 999741781 /nfs/dbraw/zinc/74/17/81/999741781.db2.gz HJIHKUVKGVYHIX-UHFFFAOYSA-N 0 2 403.460 3.547 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)cnn1-c1ccccc1C ZINC000480197521 999742465 /nfs/dbraw/zinc/74/24/65/999742465.db2.gz NIDPEDVDELRPQI-UHFFFAOYSA-N 0 2 401.488 3.561 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)c(F)c1 ZINC000480206772 999745251 /nfs/dbraw/zinc/74/52/51/999745251.db2.gz AKLUEZHGFPPTIK-UHFFFAOYSA-N 0 2 403.435 3.871 20 0 HHADLN O=S(=O)(Nc1noc(COc2ccc(F)cc2)n1)c1cccc(Cl)c1Cl ZINC000480234324 999752668 /nfs/dbraw/zinc/75/26/68/999752668.db2.gz JAHIHYZXYACUMD-UHFFFAOYSA-N 0 2 418.233 3.895 20 0 HHADLN CCc1c(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cnn1-c1ccccc1C ZINC000480248884 999755954 /nfs/dbraw/zinc/75/59/54/999755954.db2.gz ORJCVFGGIUHSFS-UHFFFAOYSA-N 0 2 421.526 3.789 20 0 HHADLN O=S(=O)(Nc1noc(COc2ccc(F)cc2)n1)c1cc(Cl)sc1Cl ZINC000480261019 999758389 /nfs/dbraw/zinc/75/83/89/999758389.db2.gz HOBYXOROUIJPSJ-UHFFFAOYSA-N 0 2 424.262 3.957 20 0 HHADLN O=S(=O)(Nc1cc(-c2cccnc2)[nH]n1)c1ccc(OCc2ccccc2)cc1 ZINC000489493827 999778089 /nfs/dbraw/zinc/77/80/89/999778089.db2.gz UEDZEQDQVKQEPE-UHFFFAOYSA-N 0 2 406.467 3.852 20 0 HHADLN CN(C(=O)C1=NN(c2ccccc2)CC1=O)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000480426391 999796106 /nfs/dbraw/zinc/79/61/06/999796106.db2.gz NDZWJHYTQGNZEJ-APWZRJJASA-N 0 2 418.280 3.615 20 0 HHADLN CC[C@H](N=c1nc(C(C)(C)C)[nH]s1)c1ccccc1OCC(=O)N1CCCC1 ZINC000489650846 999810275 /nfs/dbraw/zinc/81/02/75/999810275.db2.gz TZHFFJRRPLEJGM-INIZCTEOSA-N 0 2 402.564 3.822 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(-c4n[nH]c(C5CC5)n4)cc3)s[nH]2)c1 ZINC000480696139 999861700 /nfs/dbraw/zinc/86/17/00/999861700.db2.gz UHMKLDCKEBBMPN-UHFFFAOYSA-N 0 2 418.482 3.550 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](C)c3nccn3-c3ccccc3)s[nH]2)c1 ZINC000480703155 999863679 /nfs/dbraw/zinc/86/36/79/999863679.db2.gz OENWSXAOTUYCFQ-AWEZNQCLSA-N 0 2 420.498 3.704 20 0 HHADLN Cc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000490097743 999892838 /nfs/dbraw/zinc/89/28/38/999892838.db2.gz BPDPIYHPJCQJSE-UHFFFAOYSA-N 0 2 408.892 3.553 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCC(N2CCc3ccccc32)CC1 ZINC000504612488 1000292025 /nfs/dbraw/zinc/29/20/25/1000292025.db2.gz LRFLSWNKCKICOS-UHFFFAOYSA-N 0 2 411.556 3.748 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@@H]1CCCC[C@H]1OC(F)F ZINC000504727254 1000343581 /nfs/dbraw/zinc/34/35/81/1000343581.db2.gz ZYEMYRKXSRECPB-VXGBXAGGSA-N 0 2 402.854 3.952 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)Nc3cc(OC)cc(OC)c3C)s[nH]2)c1 ZINC000504732542 1000346283 /nfs/dbraw/zinc/34/62/83/1000346283.db2.gz SOYGVBSNZMVEOO-UHFFFAOYSA-N 0 2 400.460 3.605 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000494245013 1000384599 /nfs/dbraw/zinc/38/45/99/1000384599.db2.gz NLCKMEATSPPVKK-OALUTQOASA-N 0 2 416.510 3.874 20 0 HHADLN CC(C)N(Cc1ccco1)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000494329399 1000436100 /nfs/dbraw/zinc/43/61/00/1000436100.db2.gz XQBRYTPGUQLAIL-UHFFFAOYSA-N 0 2 405.501 3.588 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cccc(C(=O)Nc2ccccc2)c1 ZINC000505187793 1000606224 /nfs/dbraw/zinc/60/62/24/1000606224.db2.gz VOJORYXOQORFDY-UHFFFAOYSA-N 0 2 418.478 3.921 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1cnnn1Cc1ccccc1 ZINC000505276081 1000663841 /nfs/dbraw/zinc/66/38/41/1000663841.db2.gz ZYLLYYJQRSZMHW-UHFFFAOYSA-N 0 2 414.256 3.671 20 0 HHADLN COc1cc(-c2cc3[nH]c(Cc4cc(C)on4)nc(=O)c3s2)cc(OC)c1OC ZINC000506057191 1001196982 /nfs/dbraw/zinc/19/69/82/1001196982.db2.gz VSCCHYSAURIRBJ-UHFFFAOYSA-N 0 2 413.455 3.565 20 0 HHADLN CN(C(=O)CSc1nc(=O)cc(O)n1C1CCCC1)[C@H]1CCCc2ccccc21 ZINC000497441802 1001367367 /nfs/dbraw/zinc/36/73/67/1001367367.db2.gz PPTWKKCMRYRXRM-SFHVURJKSA-N 0 2 413.543 3.692 20 0 HHADLN Cc1cc(C[C@@H](C)NC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)n[nH]1 ZINC000506429426 1001408350 /nfs/dbraw/zinc/40/83/50/1001408350.db2.gz NSBFXACGMXKMPG-QGZVFWFLSA-N 0 2 415.541 3.746 20 0 HHADLN CC[C@@H](OC1CCCC1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000497530707 1001422607 /nfs/dbraw/zinc/42/26/07/1001422607.db2.gz SIQPLHYXIWEYAX-MRXNPFEDSA-N 0 2 409.533 3.620 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc2c(c1)CCO2 ZINC000506647268 1001482250 /nfs/dbraw/zinc/48/22/50/1001482250.db2.gz GDFYRYQHUVEWDW-UHFFFAOYSA-N 0 2 402.255 3.516 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccnc(Sc3ccccn3)c2)c1 ZINC000506669110 1001488865 /nfs/dbraw/zinc/48/88/65/1001488865.db2.gz OKMWTITXRBRPFD-UHFFFAOYSA-N 0 2 417.512 3.584 20 0 HHADLN CC(C)c1nc(-c2ccccc2NS(=O)(=O)c2cncc(Br)c2)n[nH]1 ZINC000506720896 1001504827 /nfs/dbraw/zinc/50/48/27/1001504827.db2.gz VGGAYGJZIDAIRQ-UHFFFAOYSA-N 0 2 422.308 3.553 20 0 HHADLN CC(C)[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccccc1 ZINC000497804631 1001519178 /nfs/dbraw/zinc/51/91/78/1001519178.db2.gz GXYJKTOUEFLPBY-QGZVFWFLSA-N 0 2 416.528 3.717 20 0 HHADLN Cc1cnn(C)c1S(=O)(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000506822178 1001549518 /nfs/dbraw/zinc/54/95/18/1001549518.db2.gz OUNWUYUPOYTPAR-UHFFFAOYSA-N 0 2 417.343 3.883 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(CCO)[C@@H]3CCCc4ccccc43)s[nH]2)c1 ZINC000498209648 1001694281 /nfs/dbraw/zinc/69/42/81/1001694281.db2.gz IWPZPVRWYFAQNM-LJQANCHMSA-N 0 2 424.526 3.539 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCc3ccccc3OC(F)F)s[nH]2)c1 ZINC000498224712 1001707476 /nfs/dbraw/zinc/70/74/76/1001707476.db2.gz AEXLACSTLYVXQO-UHFFFAOYSA-N 0 2 406.414 3.559 20 0 HHADLN Cc1ncc(CN(C)C(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)s1 ZINC000498631011 1002032914 /nfs/dbraw/zinc/03/29/14/1002032914.db2.gz QPEHVAIYRMXIFM-UHFFFAOYSA-N 0 2 421.569 3.894 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2F)c(C)cc1Br ZINC000507594953 1002201750 /nfs/dbraw/zinc/20/17/50/1002201750.db2.gz FQJNVCWFAIHXRF-UHFFFAOYSA-N 0 2 416.268 3.792 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2cc(C(=O)OC)c(Br)cc2C)s1 ZINC000507634708 1002236462 /nfs/dbraw/zinc/23/64/62/1002236462.db2.gz GJUUHPWSOIZBAM-UHFFFAOYSA-N 0 2 418.334 3.969 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2F)c(C)cc1Br ZINC000507647457 1002247405 /nfs/dbraw/zinc/24/74/05/1002247405.db2.gz BEZGXXVSGJQJPX-UHFFFAOYSA-N 0 2 416.268 3.792 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC(F)F)c3cccnc23)c1 ZINC000507885574 1002416960 /nfs/dbraw/zinc/41/69/60/1002416960.db2.gz DOVCZOCGTPZGBU-UHFFFAOYSA-N 0 2 424.425 3.792 20 0 HHADLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)cn1 ZINC000507969350 1002500739 /nfs/dbraw/zinc/50/07/39/1002500739.db2.gz LGLRKIINNVNFML-SECBINFHSA-N 0 2 418.302 3.884 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2OCC2CC2)c1 ZINC000507970398 1002502017 /nfs/dbraw/zinc/50/20/17/1002502017.db2.gz OFLJNJGYMHETSD-UHFFFAOYSA-N 0 2 423.462 3.601 20 0 HHADLN O=C(Nc1ccccn1)c1cccc(NS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000508035568 1002557605 /nfs/dbraw/zinc/55/76/05/1002557605.db2.gz OSLMCOAVARFZGY-UHFFFAOYSA-N 0 2 405.838 3.927 20 0 HHADLN Cc1cc(Br)cc(S(=O)(=O)Nc2nc3c(s2)CSCC3)c1 ZINC000508072697 1002594177 /nfs/dbraw/zinc/59/41/77/1002594177.db2.gz HAQIEKSMJZDIJF-UHFFFAOYSA-N 0 2 405.364 3.804 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)CSCC2)c1ccc(OC(F)F)c(Cl)c1 ZINC000508098097 1002622714 /nfs/dbraw/zinc/62/27/14/1002622714.db2.gz VUEXFYDZPYKKEC-UHFFFAOYSA-N 0 2 412.892 3.988 20 0 HHADLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3nc4c(s3)CSCC4)cc(Cl)c2O1 ZINC000508099566 1002624691 /nfs/dbraw/zinc/62/46/91/1002624691.db2.gz YGCVRZJVPAZPLZ-MRVPVSSYSA-N 0 2 402.950 3.710 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)sc1Br ZINC000508099860 1002624737 /nfs/dbraw/zinc/62/47/37/1002624737.db2.gz FGQPWZPMGQGWJF-UHFFFAOYSA-N 0 2 423.379 3.970 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)F)c2)o1)c1cc(Cl)ccc1F ZINC000508099900 1002624837 /nfs/dbraw/zinc/62/48/37/1002624837.db2.gz FOUNKYFZPPKUEE-UHFFFAOYSA-N 0 2 419.768 3.931 20 0 HHADLN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1ccc(F)cc1Br ZINC000508105237 1002630550 /nfs/dbraw/zinc/63/05/50/1002630550.db2.gz WFDFMARFPHJGJX-UHFFFAOYSA-N 0 2 421.313 3.740 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)cc1OCC ZINC000508108979 1002634385 /nfs/dbraw/zinc/63/43/85/1002634385.db2.gz HNUKTXFYAZOGLN-UHFFFAOYSA-N 0 2 412.533 3.635 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)F)c2)o1)c1cccc2cnccc21 ZINC000508127545 1002658405 /nfs/dbraw/zinc/65/84/05/1002658405.db2.gz ZVAFLMWFESQPKC-UHFFFAOYSA-N 0 2 418.381 3.687 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(Br)c2)o1)c1cc(F)ccc1F ZINC000508131424 1002663307 /nfs/dbraw/zinc/66/33/07/1002663307.db2.gz KFWZDSUYCFMQSG-UHFFFAOYSA-N 0 2 416.203 3.578 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)o2)s1 ZINC000508133279 1002665017 /nfs/dbraw/zinc/66/50/17/1002665017.db2.gz QFWDIFHHDCKCOQ-UHFFFAOYSA-N 0 2 414.306 3.924 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cnn(CC(C)C)c2C(C)C)c1C ZINC000499266363 1002670229 /nfs/dbraw/zinc/67/02/29/1002670229.db2.gz RXMRGGIVYVPBAU-UHFFFAOYSA-N 0 2 410.540 3.585 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccccn2)s1)c1cc(Br)ccc1F ZINC000508140969 1002674596 /nfs/dbraw/zinc/67/45/96/1002674596.db2.gz CJBBLSDDHVNRDL-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN Cc1ccc(F)cc1S(=O)(=O)Nc1nnc(-c2cccc(Br)c2)o1 ZINC000508142542 1002677164 /nfs/dbraw/zinc/67/71/64/1002677164.db2.gz LDIUROLEUZCGDF-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc(C(=O)C(C)(C)C)cc3)cnc2c1Cl ZINC000499275113 1002682077 /nfs/dbraw/zinc/68/20/77/1002682077.db2.gz TVYPMUUUBREGKX-UHFFFAOYSA-N 0 2 406.895 3.721 20 0 HHADLN NC(=O)CSc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000508176640 1002712808 /nfs/dbraw/zinc/71/28/08/1002712808.db2.gz BGUZYWFTLPZTHF-UHFFFAOYSA-N 0 2 424.853 3.737 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)cc2)o1)c1cccc(OC(F)(F)F)c1 ZINC000508193811 1002728832 /nfs/dbraw/zinc/72/88/32/1002728832.db2.gz JKFYKUIWKHDWRU-UHFFFAOYSA-N 0 2 403.313 3.575 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)c1 ZINC000508194599 1002729369 /nfs/dbraw/zinc/72/93/69/1002729369.db2.gz MKAQSAKRIKCSJG-UHFFFAOYSA-N 0 2 410.904 3.856 20 0 HHADLN Cc1cc2c(cc1S(=O)(=O)Nc1cc(-c3ccc(Cl)cc3)ncn1)OCO2 ZINC000508216146 1002747435 /nfs/dbraw/zinc/74/74/35/1002747435.db2.gz RQHGYXVKPLDZNL-UHFFFAOYSA-N 0 2 403.847 3.635 20 0 HHADLN C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1nc2ccccc2n1C(F)F ZINC000499624503 1002992938 /nfs/dbraw/zinc/99/29/38/1002992938.db2.gz GXNYCESUHVBXOE-LLVKDONJSA-N 0 2 415.375 3.953 20 0 HHADLN COc1cc(CN(C)C(=O)C2=NN(c3ccc(F)cc3)CC2=O)ccc1SC ZINC000499655272 1003016280 /nfs/dbraw/zinc/01/62/80/1003016280.db2.gz FPDNFSJOUIIMJW-UHFFFAOYSA-N 0 2 401.463 3.720 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000499726060 1003074131 /nfs/dbraw/zinc/07/41/31/1003074131.db2.gz MHJPQHUTKLILSC-GOSISDBHSA-N 0 2 401.825 3.584 20 0 HHADLN CCO[C@@H]1C[C@H](N(C)C(=O)C2=NN(c3ccc(OC)cc3)CC2=O)C12CCCCC2 ZINC000499846626 1003183059 /nfs/dbraw/zinc/18/30/59/1003183059.db2.gz KEIDUCKRBJWUKA-VQTJNVASSA-N 0 2 413.518 3.786 20 0 HHADLN CCO[C@@H]1C[C@@H](N(C)C(=O)C2=NN(c3ccc(OC)cc3)CC2=O)C12CCCCC2 ZINC000499846627 1003183364 /nfs/dbraw/zinc/18/33/64/1003183364.db2.gz KEIDUCKRBJWUKA-WOJBJXKFSA-N 0 2 413.518 3.786 20 0 HHADLN C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3nn(-c4ccc(F)cc4)cc3[O-])n2)C1 ZINC000499867834 1003204474 /nfs/dbraw/zinc/20/44/74/1003204474.db2.gz GXPGPNOXEWIDOT-CYBMUJFWSA-N 0 2 415.494 3.658 20 0 HHADLN C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3nn(-c4ccc(F)cc4)cc3[O-])n2)C1 ZINC000499867834 1003204482 /nfs/dbraw/zinc/20/44/82/1003204482.db2.gz GXPGPNOXEWIDOT-CYBMUJFWSA-N 0 2 415.494 3.658 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](C)c3nc(C4CCCCC4)no3)=N2)cc1 ZINC000500117885 1003479707 /nfs/dbraw/zinc/47/97/07/1003479707.db2.gz BJSAVTBRSSVMOG-ZDUSSCGKSA-N 0 2 411.462 3.508 20 0 HHADLN CCO[C@H](C)c1nc(CN(C)C(=O)C2=NN(c3ccc(F)cc3)CC2=O)cs1 ZINC000500119924 1003481507 /nfs/dbraw/zinc/48/15/07/1003481507.db2.gz HJEYTBOXLMQYRR-GFCCVEGCSA-N 0 2 404.467 3.543 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2c(-c3ccccc3)nc3ccccn32)cc1OC ZINC000500165653 1003518941 /nfs/dbraw/zinc/51/89/41/1003518941.db2.gz CRTBLLLJYMTQLA-UHFFFAOYSA-N 0 2 409.467 3.819 20 0 HHADLN CO[C@@H](C)CS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000509065775 1003527935 /nfs/dbraw/zinc/52/79/35/1003527935.db2.gz MBMPRHLGSKPXBO-LBPRGKRZSA-N 0 2 416.421 3.734 20 0 HHADLN C[S@](=O)Cc1cccc(NS(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000509084080 1003540803 /nfs/dbraw/zinc/54/08/03/1003540803.db2.gz QGEWAWDVSMPORD-NRFANRHFSA-N 0 2 422.753 3.782 20 0 HHADLN Cc1cnn(Cc2cc(F)ccc2F)c1NS(=O)(=O)c1cnc2ccccc2c1 ZINC000509201555 1003621056 /nfs/dbraw/zinc/62/10/56/1003621056.db2.gz FRLNZKTTYYUZQN-UHFFFAOYSA-N 0 2 414.437 3.867 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1cccc2c1OCO2 ZINC000509256153 1003658317 /nfs/dbraw/zinc/65/83/17/1003658317.db2.gz RRMBJMSBSUUXRT-UHFFFAOYSA-N 0 2 413.839 3.527 20 0 HHADLN COc1cncc(S(=O)(=O)Nc2nc(C)c(Cc3ccc(F)cc3F)s2)c1 ZINC000500473693 1003736476 /nfs/dbraw/zinc/73/64/76/1003736476.db2.gz XRNOPSBRTKXPLV-UHFFFAOYSA-N 0 2 411.455 3.525 20 0 HHADLN O=S(=O)(Nc1cncc(F)c1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000500544928 1003773364 /nfs/dbraw/zinc/77/33/64/1003773364.db2.gz LCKPHNVVKLAHKD-OAHLLOKOSA-N 0 2 400.859 3.623 20 0 HHADLN CO[C@@H]1CCC[C@H](Oc2ccnc(NS(=O)(=O)c3cccc4ccccc43)n2)C1 ZINC000500568576 1003788805 /nfs/dbraw/zinc/78/88/05/1003788805.db2.gz OVHKGPAJUHMMRD-SJORKVTESA-N 0 2 413.499 3.767 20 0 HHADLN O=C(CC1CCCC1)NC1CCC(C(=O)N=c2nc(-c3ccccc3)[nH]s2)CC1 ZINC000511836445 1003812815 /nfs/dbraw/zinc/81/28/15/1003812815.db2.gz ZKYYGAXSXDYBTH-UHFFFAOYSA-N 0 2 412.559 3.821 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)c1F ZINC000509392370 1003822646 /nfs/dbraw/zinc/82/26/46/1003822646.db2.gz PGAHNDPYYHOTSL-UHFFFAOYSA-N 0 2 402.850 3.564 20 0 HHADLN Cn1ncc2c1[nH]cc(C(=O)N1CCC(c3ccc(C(F)(F)F)cc3)CC1)c2=O ZINC000511994127 1003941237 /nfs/dbraw/zinc/94/12/37/1003941237.db2.gz SOGCFPMYLRWWIT-UHFFFAOYSA-N 0 2 404.392 3.713 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccccc2OC(F)F)c(OC[C@@H]2CCCO2)c1 ZINC000509593497 1003967421 /nfs/dbraw/zinc/96/74/21/1003967421.db2.gz XAPOFFUGTHIYQI-AWEZNQCLSA-N 0 2 413.442 3.955 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OC(F)F)c(F)c1 ZINC000509595786 1003969074 /nfs/dbraw/zinc/96/90/74/1003969074.db2.gz JYOJARKSHUXZHV-UHFFFAOYSA-N 0 2 409.769 3.668 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-n2nc(C)cc2C)c(Cl)c1 ZINC000509597047 1003970512 /nfs/dbraw/zinc/97/05/12/1003970512.db2.gz XJWUSNZTCBWNGW-UHFFFAOYSA-N 0 2 419.890 3.730 20 0 HHADLN COCCN(C(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O)[C@H]1CCCSC1 ZINC000509599865 1003972076 /nfs/dbraw/zinc/97/20/76/1003972076.db2.gz CMUKGXWYHIPHLM-SFHVURJKSA-N 0 2 403.548 3.686 20 0 HHADLN Cn1cnnc1Sc1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1Cl ZINC000509611439 1003978302 /nfs/dbraw/zinc/97/83/02/1003978302.db2.gz QCYXTPKHLBCTKG-UHFFFAOYSA-N 0 2 416.862 3.699 20 0 HHADLN Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc3c2OCCO3)c1 ZINC000509645782 1004002846 /nfs/dbraw/zinc/00/28/46/1004002846.db2.gz CYRFKPZBNXXXOB-UHFFFAOYSA-N 0 2 424.478 3.819 20 0 HHADLN Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@@H]1c1nc(-c3ccc(Cl)cc3)c[nH]1)c2=O ZINC000512090627 1004015801 /nfs/dbraw/zinc/01/58/01/1004015801.db2.gz PHKANDOHOVEJAS-QGZVFWFLSA-N 0 2 422.876 3.695 20 0 HHADLN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)c3c[nH]c4c(cnn4C)c3=O)s2)cc1 ZINC000512091460 1004016385 /nfs/dbraw/zinc/01/63/85/1004016385.db2.gz RLUXYILEWCOLPB-LLVKDONJSA-N 0 2 423.498 3.605 20 0 HHADLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)s1 ZINC000512345997 1004233858 /nfs/dbraw/zinc/23/38/58/1004233858.db2.gz FANMMKIWZNUKOE-UHFFFAOYSA-N 0 2 416.528 3.986 20 0 HHADLN CCCCCc1nnc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)s1 ZINC000512349295 1004236846 /nfs/dbraw/zinc/23/68/46/1004236846.db2.gz UNLSGEVNPIWIGK-UHFFFAOYSA-N 0 2 416.528 3.815 20 0 HHADLN COc1ccc(C[C@H](C)C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1OC ZINC000512530034 1004364004 /nfs/dbraw/zinc/36/40/04/1004364004.db2.gz XXRJCKCVTHBTJR-NSHDSACASA-N 0 2 402.401 3.584 20 0 HHADLN Cc1ccc(-c2n[nH]cc2CNc2cccc(S(=O)(=O)Nc3nccs3)c2)o1 ZINC000512614461 1004427960 /nfs/dbraw/zinc/42/79/60/1004427960.db2.gz QTHMAUOECVMNQC-UHFFFAOYSA-N 0 2 415.500 3.848 20 0 HHADLN O=C(c1csc(-c2cccc(C(F)(F)F)c2)n1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510266502 1004436192 /nfs/dbraw/zinc/43/61/92/1004436192.db2.gz BSAWMZLNLSCCOI-NSHDSACASA-N 0 2 423.420 3.672 20 0 HHADLN O=C(CSc1cccc2cccc(Cl)c21)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510297267 1004459608 /nfs/dbraw/zinc/45/96/08/1004459608.db2.gz JJGIQCTYRCZLDC-CYBMUJFWSA-N 0 2 402.907 3.815 20 0 HHADLN O=S(=O)(Nc1nccs1)c1cccc(NCc2ccc(Br)o2)c1 ZINC000512652022 1004463999 /nfs/dbraw/zinc/46/39/99/1004463999.db2.gz GZFCUGXIGCSFGD-UHFFFAOYSA-N 0 2 414.306 3.912 20 0 HHADLN CCOc1cc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)ccc1OC ZINC000512662959 1004473730 /nfs/dbraw/zinc/47/37/30/1004473730.db2.gz DFASDRUFPSIIDE-UHFFFAOYSA-N 0 2 419.528 3.963 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc(CC(=O)N3CCc4ccccc43)cc2)s1 ZINC000501829553 1004763230 /nfs/dbraw/zinc/76/32/30/1004763230.db2.gz OTWVOXNTGYKDTC-UHFFFAOYSA-N 0 2 412.536 3.989 20 0 HHADLN CN(CC(=O)Nc1cc(Cl)c(O)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000501983914 1004845779 /nfs/dbraw/zinc/84/57/79/1004845779.db2.gz KJIOUGKPLBGRMK-UHFFFAOYSA-N 0 2 423.705 3.612 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCOC[C@H]1c1nc2ccccc2s1 ZINC000502183412 1004943807 /nfs/dbraw/zinc/94/38/07/1004943807.db2.gz YCUJTPAXQWNPMN-HNNXBMFYSA-N 0 2 423.523 3.842 20 0 HHADLN Cc1ccc(C(=O)NCC(F)(F)F)cc1NS(=O)(=O)c1cccc(C)c1F ZINC000513447604 1004971033 /nfs/dbraw/zinc/97/10/33/1004971033.db2.gz MZYKNIYKEDLRAI-UHFFFAOYSA-N 0 2 404.385 3.535 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccc4cccc(Cl)c4n3)cc21 ZINC000502397192 1005055415 /nfs/dbraw/zinc/05/54/15/1005055415.db2.gz DRHTZXXXCDTPOB-UHFFFAOYSA-N 0 2 401.875 3.598 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC[C@](CO)(c4ccccc4)C3)=N2)cc1 ZINC000513908294 1005182389 /nfs/dbraw/zinc/18/23/89/1005182389.db2.gz XTGZXTXTIFJIPY-VWLOTQADSA-N 0 2 419.525 3.868 20 0 HHADLN Cn1ccnc1SCc1cccc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)c1 ZINC000502719915 1005190614 /nfs/dbraw/zinc/19/06/14/1005190614.db2.gz CWOPBFQJNAATHE-UHFFFAOYSA-N 0 2 407.524 3.905 20 0 HHADLN O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CC[NH2+][C@@H](c2cccc(Cl)c2)C1 ZINC000513986894 1005214708 /nfs/dbraw/zinc/21/47/08/1005214708.db2.gz FZTROBQEMMHROY-QGZVFWFLSA-N 0 2 417.296 3.671 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1cc(F)c(F)c(F)c1 ZINC000502841130 1005240421 /nfs/dbraw/zinc/24/04/21/1005240421.db2.gz QRFSMFBTWGZKCN-UHFFFAOYSA-N 0 2 414.174 3.815 20 0 HHADLN Cn1cc(NS(=O)(=O)c2ccsc2C(=O)Nc2cccc3ccsc32)cn1 ZINC000502920286 1005275312 /nfs/dbraw/zinc/27/53/12/1005275312.db2.gz RHEXGPTYZGIHNT-UHFFFAOYSA-N 0 2 418.525 3.749 20 0 HHADLN O=S(=O)(Nc1cnn(Cc2ccncc2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000503401413 1005408944 /nfs/dbraw/zinc/40/89/44/1005408944.db2.gz BWGUSLHZCSJECM-UHFFFAOYSA-N 0 2 416.812 3.799 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N(CCO)Cc2ccc(Cl)c(Cl)c2)s[nH]1 ZINC000503500116 1005438223 /nfs/dbraw/zinc/43/82/23/1005438223.db2.gz AXBCMEXPWXVHRB-UHFFFAOYSA-N 0 2 403.335 3.591 20 0 HHADLN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N=c2nc(-c3ccsc3)[nH]s2)c1 ZINC000503678998 1005479385 /nfs/dbraw/zinc/47/93/85/1005479385.db2.gz CHNRQPNDELGHGQ-UHFFFAOYSA-N 0 2 407.908 3.688 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cccc3c2OCCC3=O)c(Cl)c1Cl ZINC000504051661 1005541227 /nfs/dbraw/zinc/54/12/27/1005541227.db2.gz KYEAQWHBJFUVCS-UHFFFAOYSA-N 0 2 402.255 3.768 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCCC12CCCCC2 ZINC000534044874 1006013911 /nfs/dbraw/zinc/01/39/11/1006013911.db2.gz HQGGEBCUDGSKBW-UHFFFAOYSA-N 0 2 405.545 3.883 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc(-c2ccccc2)cnc1C ZINC000534059168 1006030939 /nfs/dbraw/zinc/03/09/39/1006030939.db2.gz NTFCOOGZZRVSFK-UHFFFAOYSA-N 0 2 400.431 3.784 20 0 HHADLN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cc1 ZINC000531212194 1006051255 /nfs/dbraw/zinc/05/12/55/1006051255.db2.gz XURDJAYNZMRZSE-UHFFFAOYSA-N 0 2 419.503 3.908 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)CCc1cccc(OC)c1 ZINC000514641781 1006069036 /nfs/dbraw/zinc/06/90/36/1006069036.db2.gz IGLAXTKXGXQSMB-QFIPXVFZSA-N 0 2 421.541 3.867 20 0 HHADLN Cn1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1C1CCC1 ZINC000514744135 1006098017 /nfs/dbraw/zinc/09/80/17/1006098017.db2.gz OHPXENVNPWAJHN-UHFFFAOYSA-N 0 2 416.528 3.802 20 0 HHADLN C[C@]12CCC[N@@H+]1C[C@@H](c1noc([C@@H]3CCn4c(cnc4C4CCCCC4)C3)n1)OC2 ZINC000514819164 1006150662 /nfs/dbraw/zinc/15/06/62/1006150662.db2.gz XVCUMMJPJFCVCZ-HFJQGTKSSA-N 0 2 411.550 3.970 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1cnn(Cc2ccccc2)c1 ZINC000531364682 1006151973 /nfs/dbraw/zinc/15/19/73/1006151973.db2.gz GGAYVSJMASJLOH-UHFFFAOYSA-N 0 2 419.466 3.869 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cnn([C@H](C)CC)c2C2CC2)c1C ZINC000534234323 1006236102 /nfs/dbraw/zinc/23/61/02/1006236102.db2.gz GFXYOYUXUYLIJT-LLVKDONJSA-N 0 2 408.524 3.654 20 0 HHADLN CC(C)C[C@H](C)OCCC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000531511685 1006241729 /nfs/dbraw/zinc/24/17/29/1006241729.db2.gz NPBJNLUHUOFLCL-AWEZNQCLSA-N 0 2 411.549 3.724 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(F)cc(Cl)c1 ZINC000531548041 1006268830 /nfs/dbraw/zinc/26/88/30/1006268830.db2.gz OMHWCDOUCDMWBJ-UHFFFAOYSA-N 0 2 411.867 3.989 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(C)cc3)s2)cc1C ZINC000531603888 1006301572 /nfs/dbraw/zinc/30/15/72/1006301572.db2.gz QAEZKPVOTKRJRB-UHFFFAOYSA-N 0 2 403.529 3.945 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(F)c2)s1)c1cc(F)cc(Cl)c1 ZINC000534400250 1006376452 /nfs/dbraw/zinc/37/64/52/1006376452.db2.gz JHLPVJCOAXAMAS-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN C[C@@H]1CCCN(Cc2csc(NS(=O)(=O)c3cc(F)cc(Cl)c3)n2)C1 ZINC000534401261 1006376608 /nfs/dbraw/zinc/37/66/08/1006376608.db2.gz MXVBOHRVSSVZQM-LLVKDONJSA-N 0 2 403.932 3.968 20 0 HHADLN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2)cc1 ZINC000531780654 1006421758 /nfs/dbraw/zinc/42/17/58/1006421758.db2.gz GWOODMKDUDULDW-UHFFFAOYSA-N 0 2 416.478 3.797 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ccn(-c2ccc(Cl)c(Cl)c2)n1 ZINC000534494159 1006491996 /nfs/dbraw/zinc/49/19/96/1006491996.db2.gz NJMHYIVHWNWMJU-UHFFFAOYSA-N 0 2 417.281 3.767 20 0 HHADLN O=S(=O)([N-]c1cccc2c1CN(c1cccc[nH+]1)C2)c1ccc(C(F)(F)F)cn1 ZINC000534497502 1006495430 /nfs/dbraw/zinc/49/54/30/1006495430.db2.gz GIWUFCPFDPOVAO-UHFFFAOYSA-N 0 2 420.416 3.816 20 0 HHADLN O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1cncc(Cl)c1 ZINC000534598608 1006580438 /nfs/dbraw/zinc/58/04/38/1006580438.db2.gz UJHWCTYBFKZTMT-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc4ccc(Cl)cc4s3)cc21 ZINC000532113567 1006646668 /nfs/dbraw/zinc/64/66/68/1006646668.db2.gz GPAXSHZDRCYPKM-UHFFFAOYSA-N 0 2 407.904 3.980 20 0 HHADLN Cc1ncncc1C(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000515787306 1006670790 /nfs/dbraw/zinc/67/07/90/1006670790.db2.gz BKJHSTFIBQELRB-UHFFFAOYSA-N 0 2 420.853 3.631 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1F ZINC000532152207 1006674886 /nfs/dbraw/zinc/67/48/86/1006674886.db2.gz PZOFJZWTLMSXRD-UHFFFAOYSA-N 0 2 400.410 3.784 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3ccc(C)c(Cl)c3)o2)cc1OC ZINC000515827340 1006703532 /nfs/dbraw/zinc/70/35/32/1006703532.db2.gz YFALEMSHXWHYQL-UHFFFAOYSA-N 0 2 409.851 3.516 20 0 HHADLN O=S(=O)(Cc1cc(Cl)ccc1F)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000534743550 1006734728 /nfs/dbraw/zinc/73/47/28/1006734728.db2.gz OEFNRKIUAIIQNH-KRWDZBQOSA-N 0 2 420.897 3.931 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000534774422 1006772719 /nfs/dbraw/zinc/77/27/19/1006772719.db2.gz SDTAJLUANWAXIC-INIZCTEOSA-N 0 2 400.891 3.966 20 0 HHADLN COc1ccc2c(c1)OC[C@@H]2CC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000534814648 1006821262 /nfs/dbraw/zinc/82/12/62/1006821262.db2.gz CKPBDCMRXQXSBN-NSHDSACASA-N 0 2 401.875 3.794 20 0 HHADLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2oc3ccccc3c2c1 ZINC000516203558 1006941012 /nfs/dbraw/zinc/94/10/12/1006941012.db2.gz QWISWIXJCWKVEZ-UHFFFAOYSA-N 0 2 401.465 3.790 20 0 HHADLN COc1ccc2nc(C3CC3)cc(C(=O)N=c3nc(-c4cccnc4)[nH]s3)c2c1 ZINC000535175755 1007220392 /nfs/dbraw/zinc/22/03/92/1007220392.db2.gz VEQUGQWGVKWPGU-UHFFFAOYSA-N 0 2 403.467 3.709 20 0 HHADLN Cc1cc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cc(C)c1OCc1cccnc1 ZINC000535231741 1007284871 /nfs/dbraw/zinc/28/48/71/1007284871.db2.gz UKNXGLFEJYFVKK-UHFFFAOYSA-N 0 2 417.494 3.865 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc(N(C)C)nc2)sc1Cc1c(F)cccc1F ZINC000516824179 1007312659 /nfs/dbraw/zinc/31/26/59/1007312659.db2.gz MOIDLCGZRUBXNE-UHFFFAOYSA-N 0 2 424.498 3.582 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)NCC(C)(C)c2ccc(C(C)(C)C)cc2)s[nH]1 ZINC000535272200 1007322760 /nfs/dbraw/zinc/32/27/60/1007322760.db2.gz UTPXWRGLHBJUKN-UHFFFAOYSA-N 0 2 416.591 3.588 20 0 HHADLN O=C(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1cccc(Br)c1O ZINC000516902066 1007340920 /nfs/dbraw/zinc/34/09/20/1007340920.db2.gz CFYKYLVYEPJCJM-UHFFFAOYSA-N 0 2 413.275 3.536 20 0 HHADLN CN(C(=O)c1ccc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cc1)c1ccccc1 ZINC000535306628 1007357798 /nfs/dbraw/zinc/35/77/98/1007357798.db2.gz FNJNUZCDWFWVLO-UHFFFAOYSA-N 0 2 415.478 3.551 20 0 HHADLN C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)[C@@H]2CCCC[C@H]12 ZINC000532994121 1007364771 /nfs/dbraw/zinc/36/47/71/1007364771.db2.gz DHPJYSMKGKQLGA-ZTFGCOKTSA-N 0 2 419.572 3.985 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N(C)CCC(F)(F)F)cc1 ZINC000517189774 1007494126 /nfs/dbraw/zinc/49/41/26/1007494126.db2.gz YFZDCQMFPIEWDN-UHFFFAOYSA-N 0 2 406.451 3.882 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 ZINC000539399051 1007706308 /nfs/dbraw/zinc/70/63/08/1007706308.db2.gz YCJHYUNPASWJPE-UHFFFAOYSA-N 0 2 401.469 3.578 20 0 HHADLN COc1cc2c(cc1F)ncc(C(=O)Nc1ccccc1-c1nnc(C(C)C)[nH]1)c2O ZINC000539409918 1007717223 /nfs/dbraw/zinc/71/72/23/1007717223.db2.gz KONAGOPAKRUQAR-UHFFFAOYSA-N 0 2 421.432 3.837 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)c1C ZINC000517611562 1007815069 /nfs/dbraw/zinc/81/50/69/1007815069.db2.gz PZRQXFAGQNJREE-UHFFFAOYSA-N 0 2 424.478 3.579 20 0 HHADLN CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000517651608 1007864056 /nfs/dbraw/zinc/86/40/56/1007864056.db2.gz ZJCZYGCYHPJEAK-ZDUSSCGKSA-N 0 2 424.979 3.557 20 0 HHADLN CCCc1cnc(NS(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)s1 ZINC000539555111 1007867772 /nfs/dbraw/zinc/86/77/72/1007867772.db2.gz DBYMLYGVTQSUMQ-UHFFFAOYSA-N 0 2 415.606 3.663 20 0 HHADLN COC(=O)CCSc1cccc(NS(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000535892710 1007913032 /nfs/dbraw/zinc/91/30/32/1007913032.db2.gz NFZCKFFEMWHERB-UHFFFAOYSA-N 0 2 401.456 3.729 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c(C)o1 ZINC000533629278 1007933347 /nfs/dbraw/zinc/93/33/47/1007933347.db2.gz NFHZTHKYTWTOIZ-UHFFFAOYSA-N 0 2 411.439 3.719 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000535926864 1007948128 /nfs/dbraw/zinc/94/81/28/1007948128.db2.gz ADAHUMWICXHOGQ-OLZOCXBDSA-N 0 2 406.389 3.663 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@H](C)c3ccc([S@@](C)=O)cc3)=N2)cc1 ZINC000535954117 1007988640 /nfs/dbraw/zinc/98/86/40/1007988640.db2.gz MPNMHSXYNSEBMV-MHTXLSKPSA-N 0 2 411.527 3.930 20 0 HHADLN CC(C)(C)c1ncc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cn1 ZINC000535989056 1008028601 /nfs/dbraw/zinc/02/86/01/1008028601.db2.gz PGTKQGDSGQDPOB-UHFFFAOYSA-N 0 2 406.252 3.616 20 0 HHADLN OC(=Cc1csc(-c2ccc(Cl)cc2)n1)Nc1nc(-c2cccnc2)ns1 ZINC000533724412 1008050714 /nfs/dbraw/zinc/05/07/14/1008050714.db2.gz YWIVBOAOJFWNRM-UHFFFAOYSA-N 0 2 413.915 3.980 20 0 HHADLN CC(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)cc1 ZINC000539808551 1008108487 /nfs/dbraw/zinc/10/84/87/1008108487.db2.gz CJKGNSYAUKXFNA-UHFFFAOYSA-N 0 2 402.501 3.715 20 0 HHADLN O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1nn(-c2ccccc2F)cc1[O-] ZINC000533843654 1008151137 /nfs/dbraw/zinc/15/11/37/1008151137.db2.gz XEKKKWTYFROICV-UHFFFAOYSA-N 0 2 415.428 3.885 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N[C@@H](C)C2CCN(CC(F)(F)F)CC2)=N1 ZINC000518553901 1008345933 /nfs/dbraw/zinc/34/59/33/1008345933.db2.gz NWKWEVGAHYXXCU-AWEZNQCLSA-N 0 2 424.467 3.533 20 0 HHADLN Cc1ccc(-c2nc(S(=O)(=O)[C@H](C)C(=O)Nc3cccc(Cl)c3C)n[nH]2)cc1 ZINC000518684105 1008391232 /nfs/dbraw/zinc/39/12/32/1008391232.db2.gz ZRDBBRQGPPJOQT-CYBMUJFWSA-N 0 2 418.906 3.543 20 0 HHADLN N#Cc1ccc(Oc2cccc(NS(=O)(=O)c3cccc4c3OCCO4)c2)cc1 ZINC000519217348 1008621208 /nfs/dbraw/zinc/62/12/08/1008621208.db2.gz CIUFRMDVHCNIDA-UHFFFAOYSA-N 0 2 408.435 3.923 20 0 HHADLN COc1cc(OC)c(-c2noc(-c3cccc(Br)c3O)n2)cc1OC ZINC000545525866 1008626118 /nfs/dbraw/zinc/62/61/18/1008626118.db2.gz BFCHAGUZVUEAIM-UHFFFAOYSA-N 0 2 407.220 3.898 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1c(-c2cccnc2)nc2ccccn21 ZINC000543147620 1008721042 /nfs/dbraw/zinc/72/10/42/1008721042.db2.gz YASFUZHBZSJIRR-UHFFFAOYSA-N 0 2 424.530 3.666 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1c(-c2cccnc2)[nH+]c2ccccn21 ZINC000543147620 1008721058 /nfs/dbraw/zinc/72/10/58/1008721058.db2.gz YASFUZHBZSJIRR-UHFFFAOYSA-N 0 2 424.530 3.666 20 0 HHADLN CCOC(=O)c1ccn(-c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2F)n1 ZINC000519408280 1008791956 /nfs/dbraw/zinc/79/19/56/1008791956.db2.gz KUCSWBOFPSIIPA-UHFFFAOYSA-N 0 2 423.853 3.642 20 0 HHADLN CC(C)(NC(=O)c1ccccc1)c1noc(-c2cccc(Br)c2O)n1 ZINC000519532333 1008896081 /nfs/dbraw/zinc/89/60/81/1008896081.db2.gz LVZQTJFDTAACLK-UHFFFAOYSA-N 0 2 402.248 3.870 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(Cl)cc2)o1)c1cc(F)cc(Cl)c1 ZINC000519582839 1008920961 /nfs/dbraw/zinc/92/09/61/1008920961.db2.gz RAYMLQMBHQQUAG-UHFFFAOYSA-N 0 2 402.234 3.907 20 0 HHADLN CC(=O)N1CCc2c1cccc2NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000545982740 1009032819 /nfs/dbraw/zinc/03/28/19/1009032819.db2.gz KJVVQBGMDPIRST-UHFFFAOYSA-N 0 2 413.890 3.833 20 0 HHADLN C[C@H](C(F)(F)F)S(=O)(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000546073887 1009095863 /nfs/dbraw/zinc/09/58/63/1009095863.db2.gz AWISLIRBYNPDAC-SNVBAGLBSA-N 0 2 419.296 3.828 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)ccc1NC(=O)c1ccco1 ZINC000519994425 1009144432 /nfs/dbraw/zinc/14/44/32/1009144432.db2.gz RIEBGYYPELYWTE-UHFFFAOYSA-N 0 2 422.466 3.827 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c1 ZINC000546152594 1009183690 /nfs/dbraw/zinc/18/36/90/1009183690.db2.gz CKRLSFDEXSOJCT-UHFFFAOYSA-N 0 2 422.304 3.503 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2cccc(Cl)c2OC)c1 ZINC000546154109 1009185267 /nfs/dbraw/zinc/18/52/67/1009185267.db2.gz XEPHXXKZZABPRC-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN CC[C@H]1C[C@@H](C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)CC(=O)N1 ZINC000543646535 1009250695 /nfs/dbraw/zinc/25/06/95/1009250695.db2.gz OZGBIPYWCLAIPU-CVEARBPZSA-N 0 2 422.510 3.663 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(-c3cccc(F)c3)no2)cc1 ZINC000546234081 1009257635 /nfs/dbraw/zinc/25/76/35/1009257635.db2.gz XRUBWPCFSJZSMC-UHFFFAOYSA-N 0 2 402.432 3.800 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N(CCCO)Cc1ccccc1 ZINC000543656768 1009262952 /nfs/dbraw/zinc/26/29/52/1009262952.db2.gz LUWLKSNDYXRSBL-UHFFFAOYSA-N 0 2 402.907 3.697 20 0 HHADLN CN(CCOCc1ccccc1)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000543658905 1009266151 /nfs/dbraw/zinc/26/61/51/1009266151.db2.gz VMICLUMYYFPAHU-UHFFFAOYSA-N 0 2 402.907 3.961 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCN(c2cccs2)CC1 ZINC000543658687 1009266263 /nfs/dbraw/zinc/26/62/63/1009266263.db2.gz UBXIRUGTAUWTIT-UHFFFAOYSA-N 0 2 405.936 3.696 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000543658563 1009266594 /nfs/dbraw/zinc/26/65/94/1009266594.db2.gz VJGGDNHRJKSSSJ-RRFJBIMHSA-N 0 2 404.923 3.750 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)nc1C1CCCC1 ZINC000543686136 1009294561 /nfs/dbraw/zinc/29/45/61/1009294561.db2.gz XNCXWELSAJVBLV-UHFFFAOYSA-N 0 2 420.434 3.805 20 0 HHADLN O=S(=O)(Nc1csc(-c2ccccn2)n1)c1ccc(OC(F)(F)F)cc1 ZINC000543711143 1009315769 /nfs/dbraw/zinc/31/57/69/1009315769.db2.gz ZHLRYOQUPOKOAB-UHFFFAOYSA-N 0 2 401.391 3.905 20 0 HHADLN CCOc1nc(C)ccc1C(=O)NCC[C@H]1C(=O)N(Cc2ccccc2C)N=C1CC ZINC000549721298 1009348272 /nfs/dbraw/zinc/34/82/72/1009348272.db2.gz WDBXCXFQZBQTIL-LJQANCHMSA-N 0 2 422.529 3.642 20 0 HHADLN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)cc1OCC ZINC000520223600 1009350080 /nfs/dbraw/zinc/35/00/80/1009350080.db2.gz IGTZZQJPUXOQTI-UHFFFAOYSA-N 0 2 408.495 3.897 20 0 HHADLN CCCOc1cn(-c2ccccc2)nc1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000520222635 1009350177 /nfs/dbraw/zinc/35/01/77/1009350177.db2.gz RBPXMNJELJHYNJ-UHFFFAOYSA-N 0 2 411.512 3.915 20 0 HHADLN COC(=O)c1ccc(Br)c(C)c1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000546599046 1009621231 /nfs/dbraw/zinc/62/12/31/1009621231.db2.gz SDDFTPMNUVKTMS-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2)c1 ZINC000546629929 1009639656 /nfs/dbraw/zinc/63/96/56/1009639656.db2.gz WTZZVWHCECLOCJ-UHFFFAOYSA-N 0 2 416.524 3.905 20 0 HHADLN Cc1noc(-c2ccc(C)c(NC(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)c2)n1 ZINC000546640155 1009648069 /nfs/dbraw/zinc/64/80/69/1009648069.db2.gz QPOHQYZLXPGTQD-UHFFFAOYSA-N 0 2 410.459 3.728 20 0 HHADLN CCOc1ccc(OC)cc1NS(=O)(=O)c1ccc(C)cc1Br ZINC000520626539 1009703514 /nfs/dbraw/zinc/70/35/14/1009703514.db2.gz VIIKANMLXGCLAF-UHFFFAOYSA-N 0 2 400.294 3.966 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cc(F)c(OC(C)C)c(F)c3)cnc2c1Cl ZINC000544098909 1009709469 /nfs/dbraw/zinc/70/94/69/1009709469.db2.gz NEZHOAXAPCXORK-UHFFFAOYSA-N 0 2 416.837 3.557 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)CS[C@@H](C)c1nc2ccccc2[nH]1 ZINC000550124246 1009714823 /nfs/dbraw/zinc/71/48/23/1009714823.db2.gz YHOUZHQFWMTOCC-LBPRGKRZSA-N 0 2 408.487 3.795 20 0 HHADLN C[C@@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000546769062 1009737071 /nfs/dbraw/zinc/73/70/71/1009737071.db2.gz NHKHIACMPCGXNH-HNNXBMFYSA-N 0 2 423.460 3.969 20 0 HHADLN Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1NC(=O)C[NH+]1CCCCC1 ZINC000520768875 1009838244 /nfs/dbraw/zinc/83/82/44/1009838244.db2.gz QNMPRCFYODGRPF-UHFFFAOYSA-N 0 2 421.950 3.874 20 0 HHADLN CC(C)n1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cn1 ZINC000550473723 1009967170 /nfs/dbraw/zinc/96/71/70/1009967170.db2.gz UWWORPLXHYXHGE-UHFFFAOYSA-N 0 2 402.451 3.656 20 0 HHADLN O=C(CC[C@H]1Cc2ccccc2NC1=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000520966843 1010011185 /nfs/dbraw/zinc/01/11/85/1010011185.db2.gz HLSPZBZKSCIJRX-AWEZNQCLSA-N 0 2 412.902 3.810 20 0 HHADLN Cc1c(C=C(O)Nc2nc(-c3cccc(Cl)c3)ns2)nnn1-c1ccc(C)cc1 ZINC000520970973 1010015114 /nfs/dbraw/zinc/01/51/14/1010015114.db2.gz OWNDRNBOKMFMAI-UHFFFAOYSA-N 0 2 424.917 3.659 20 0 HHADLN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])C[C@H](C)O1 ZINC000550597576 1010054876 /nfs/dbraw/zinc/05/48/76/1010054876.db2.gz KGAUEWGKADEKHJ-IYBDPMFKSA-N 0 2 424.476 3.579 20 0 HHADLN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])C[C@H](C)O1 ZINC000550597576 1010054893 /nfs/dbraw/zinc/05/48/93/1010054893.db2.gz KGAUEWGKADEKHJ-IYBDPMFKSA-N 0 2 424.476 3.579 20 0 HHADLN COCCOc1ccc(Cc2noc(-c3cccc(Br)c3O)n2)cc1 ZINC000547194503 1010138397 /nfs/dbraw/zinc/13/83/97/1010138397.db2.gz LITVRDVEKPYHHN-UHFFFAOYSA-N 0 2 405.248 3.821 20 0 HHADLN COc1cccc(C2=CCN(C(=O)N=c3nc(-c4cccc(OC)c4)[nH]s3)C2)c1 ZINC000544590729 1010216705 /nfs/dbraw/zinc/21/67/05/1010216705.db2.gz MIUWVCLAAVQEMG-UHFFFAOYSA-N 0 2 408.483 3.575 20 0 HHADLN C[C@H](O)C[C@H](CNC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccccc1 ZINC000544637267 1010261587 /nfs/dbraw/zinc/26/15/87/1010261587.db2.gz BYGVNZJFIOELKM-DZGCQCFKSA-N 0 2 416.934 3.957 20 0 HHADLN CC(C)Oc1cc(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)ccn1 ZINC000544638023 1010262237 /nfs/dbraw/zinc/26/22/37/1010262237.db2.gz UIMLMDVNPDFVHY-UHFFFAOYSA-N 0 2 403.895 3.784 20 0 HHADLN CN(Cc1ccc2c(c1)OCO2)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000544638579 1010262960 /nfs/dbraw/zinc/26/29/60/1010262960.db2.gz DZZJTEZBRUPKMC-UHFFFAOYSA-N 0 2 402.863 3.673 20 0 HHADLN COCCOc1ccc(NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1 ZINC000544638930 1010263861 /nfs/dbraw/zinc/26/38/61/1010263861.db2.gz UPUUEQFPJOTLAB-UHFFFAOYSA-N 0 2 404.879 3.950 20 0 HHADLN O=S(=O)(N[C@H](C1CCCC1)C(F)(F)F)c1cc(F)ccc1Br ZINC000544664963 1010283997 /nfs/dbraw/zinc/28/39/97/1010283997.db2.gz WYDFBZLVHRUASU-GFCCVEGCSA-N 0 2 404.223 3.988 20 0 HHADLN CC[C@H](C)Sc1ccc(NS(=O)(=O)[C@H](C)C(=O)N(C)C)c(C(F)(F)F)c1 ZINC000551021144 1010322099 /nfs/dbraw/zinc/32/20/99/1010322099.db2.gz XMKWERIFYSJMAU-WDEREUQCSA-N 0 2 412.499 3.814 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c2ccccc2n1C ZINC000551026049 1010324363 /nfs/dbraw/zinc/32/43/63/1010324363.db2.gz XLONBQVVWUCRKV-UHFFFAOYSA-N 0 2 403.529 3.899 20 0 HHADLN O=C(COc1ccc(Br)cc1Cl)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC000547538955 1010344482 /nfs/dbraw/zinc/34/44/82/1010344482.db2.gz PIHOUFAMCYPCNT-UHFFFAOYSA-N 0 2 401.600 3.734 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(-c3nccc4[nH]ccc43)no2)cc1 ZINC000551073231 1010350237 /nfs/dbraw/zinc/35/02/37/1010350237.db2.gz UWVGVPWKHREHDY-UHFFFAOYSA-N 0 2 424.467 3.537 20 0 HHADLN CCCc1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2NS(C)(=O)=O)c1 ZINC000551106583 1010371531 /nfs/dbraw/zinc/37/15/31/1010371531.db2.gz QFKMWFLJSYSPKL-UHFFFAOYSA-N 0 2 420.915 3.604 20 0 HHADLN Cc1ccnc2c1cccc2S(=O)(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000547630810 1010372086 /nfs/dbraw/zinc/37/20/86/1010372086.db2.gz QYWRHEZNCQAVQY-UHFFFAOYSA-N 0 2 402.545 3.786 20 0 HHADLN CCCS(=O)(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)ccc2F)c1C ZINC000551109069 1010375516 /nfs/dbraw/zinc/37/55/16/1010375516.db2.gz XXBYBSYLQCUIFL-UHFFFAOYSA-N 0 2 420.915 3.740 20 0 HHADLN COc1cccc(Oc2ccc(NS(=O)(=O)c3cnn(CC(F)F)c3)cc2)c1 ZINC000551110342 1010375966 /nfs/dbraw/zinc/37/59/66/1010375966.db2.gz STSCKLRCKPHBBT-UHFFFAOYSA-N 0 2 409.414 3.750 20 0 HHADLN O=C(CCc1cncnc1)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000551148230 1010399632 /nfs/dbraw/zinc/39/96/32/1010399632.db2.gz OHHOVXUACGFGEA-UHFFFAOYSA-N 0 2 403.467 3.781 20 0 HHADLN CCOc1cccc(S(=O)(=O)Nc2cccc(Cl)c2S(=O)(=O)C(C)C)c1 ZINC000551170436 1010415135 /nfs/dbraw/zinc/41/51/35/1010415135.db2.gz QOGUVSWFFUKYQZ-UHFFFAOYSA-N 0 2 417.936 3.722 20 0 HHADLN O=S(=O)(Nc1ccc(Sc2nncs2)cc1)c1cc(F)c(F)cc1F ZINC000521538128 1010447650 /nfs/dbraw/zinc/44/76/50/1010447650.db2.gz QWHOVAURMVZMFV-UHFFFAOYSA-N 0 2 403.432 3.907 20 0 HHADLN O=C(NC1CCCCC1)c1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000521539071 1010448786 /nfs/dbraw/zinc/44/87/86/1010448786.db2.gz GLPMSSOWSUZJTD-UHFFFAOYSA-N 0 2 412.433 3.967 20 0 HHADLN O=S(=O)(Nc1nsc(-c2ccccc2)n1)c1ccc(OCC(F)(F)F)cc1 ZINC000551387519 1010554508 /nfs/dbraw/zinc/55/45/08/1010554508.db2.gz DTBXYMNSMHLPHH-UHFFFAOYSA-N 0 2 415.418 3.947 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)nc1C ZINC000551393178 1010557877 /nfs/dbraw/zinc/55/78/77/1010557877.db2.gz JRYBZKOMIBMVMP-UHFFFAOYSA-N 0 2 413.279 3.875 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ccccc3OC[C@H]3CCCCO3)cc12 ZINC000545119716 1010626681 /nfs/dbraw/zinc/62/66/81/1010626681.db2.gz OKMJBPHRLLAMMQ-CQSZACIVSA-N 0 2 417.487 3.534 20 0 HHADLN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 ZINC000521901602 1010696172 /nfs/dbraw/zinc/69/61/72/1010696172.db2.gz QPMWJKKFMLIVAA-UHFFFAOYSA-N 0 2 400.431 3.768 20 0 HHADLN CC(=O)N1CCc2c1cccc2NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000545275812 1010713224 /nfs/dbraw/zinc/71/32/24/1010713224.db2.gz VIMBLBPMWNQHLQ-UHFFFAOYSA-N 0 2 413.890 3.833 20 0 HHADLN O=S(=O)([N-]c1c(-c2ccco2)nc2ccccn21)c1ccccc1Cn1cc[nH+]c1 ZINC000545379932 1010763407 /nfs/dbraw/zinc/76/34/07/1010763407.db2.gz IYMKMNINTADRCM-UHFFFAOYSA-N 0 2 419.466 3.640 20 0 HHADLN COc1ccc([C@@H](Cc2ccc(F)cc2)NS(=O)(=O)[C@@H](C)C(F)(F)F)cc1 ZINC000545385136 1010767086 /nfs/dbraw/zinc/76/70/86/1010767086.db2.gz WRCQBOUHAHNQHH-YVEFUNNKSA-N 0 2 405.413 3.988 20 0 HHADLN O=S(=O)(Nc1ccn(Cc2ccccc2)n1)c1ccc(OCC(F)(F)F)cc1 ZINC000522087897 1010802006 /nfs/dbraw/zinc/80/20/06/1010802006.db2.gz WHSRFZWJFOTQDK-UHFFFAOYSA-N 0 2 411.405 3.673 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(Oc2ncccn2)cc1C ZINC000522366998 1010960841 /nfs/dbraw/zinc/96/08/41/1010960841.db2.gz CLOOGMVXSJQLIM-UHFFFAOYSA-N 0 2 401.492 3.772 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cnccc3Oc3ccccc3)cc21 ZINC000522439023 1011012588 /nfs/dbraw/zinc/01/25/88/1011012588.db2.gz BSSCXAQJQKHUQE-UHFFFAOYSA-N 0 2 409.467 3.584 20 0 HHADLN O=C(Nc1ccc(NCc2ccccc2)c(Cl)c1)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000522663839 1011146817 /nfs/dbraw/zinc/14/68/17/1011146817.db2.gz LIRHGBWRGWUJAN-UHFFFAOYSA-N 0 2 421.844 3.954 20 0 HHADLN CC(C)Cc1ccc(S(=O)(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)cc1 ZINC000536105957 1011224869 /nfs/dbraw/zinc/22/48/69/1011224869.db2.gz CTSQKGOKJBBFJR-UHFFFAOYSA-N 0 2 407.499 3.815 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1Cl ZINC000522808046 1011241280 /nfs/dbraw/zinc/24/12/80/1011241280.db2.gz XUVWKMRFANZQCO-UHFFFAOYSA-N 0 2 409.769 3.826 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccc(F)cc2)c(C)o1 ZINC000540648195 1011299090 /nfs/dbraw/zinc/29/90/90/1011299090.db2.gz OFWCMQQWWNBNCS-UHFFFAOYSA-N 0 2 424.475 3.637 20 0 HHADLN COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc4c(s3)CCCCCC4)cc2)CC1 ZINC000540649514 1011300884 /nfs/dbraw/zinc/30/08/84/1011300884.db2.gz WZSGVEJOECPWDF-UHFFFAOYSA-N 0 2 420.556 3.808 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000536244730 1011399731 /nfs/dbraw/zinc/39/97/31/1011399731.db2.gz PWMXGGCEYDUOHF-UHFFFAOYSA-N 0 2 401.451 3.527 20 0 HHADLN O=S(=O)([N-]c1nc2ccccc2nc1NCCCCn1cc[nH+]c1)c1ccccc1 ZINC000540905929 1011577092 /nfs/dbraw/zinc/57/70/92/1011577092.db2.gz RROUINHIEFJOQU-UHFFFAOYSA-N 0 2 422.514 3.519 20 0 HHADLN CN(Cc1ccccc1NS(=O)(=O)c1ccccc1F)C(=O)c1cccs1 ZINC000523124252 1011590850 /nfs/dbraw/zinc/59/08/50/1011590850.db2.gz BJSLPNCFJMELCA-UHFFFAOYSA-N 0 2 404.488 3.960 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)cnn1-c1ccccc1 ZINC000541165672 1011833988 /nfs/dbraw/zinc/83/39/88/1011833988.db2.gz TYZSYONJYGARIQ-UHFFFAOYSA-N 0 2 401.488 3.643 20 0 HHADLN CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3c(C)nn(CC(C)C)c3C)c2)n1 ZINC000541304570 1012008446 /nfs/dbraw/zinc/00/84/46/1012008446.db2.gz DBZUSWDZPNMXFV-UHFFFAOYSA-N 0 2 417.535 3.878 20 0 HHADLN O=C(c1ccccc1SCc1cccs1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000552016136 1012050234 /nfs/dbraw/zinc/05/02/34/1012050234.db2.gz NJCQXTQRBRUOEU-UHFFFAOYSA-N 0 2 400.529 3.884 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1ccnc(SCC(F)(F)F)c1 ZINC000552029382 1012054933 /nfs/dbraw/zinc/05/49/33/1012054933.db2.gz ZAFGGXDUSNGVNX-UHFFFAOYSA-N 0 2 409.393 3.787 20 0 HHADLN CN(C)C(=O)Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1 ZINC000523528114 1012056965 /nfs/dbraw/zinc/05/69/65/1012056965.db2.gz IPGWQWCBOBVUQO-UHFFFAOYSA-N 0 2 420.840 3.790 20 0 HHADLN CCOc1ccc(-c2nc(CC(=O)Nc3cccc(-c4n[nH]c(=O)[nH]4)c3)cs2)cc1 ZINC000552250512 1012260852 /nfs/dbraw/zinc/26/08/52/1012260852.db2.gz OGSFESJLMJGFFW-UHFFFAOYSA-N 0 2 421.482 3.881 20 0 HHADLN O=C(Cc1c[nH]c2cc(Br)ccc12)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552281246 1012294540 /nfs/dbraw/zinc/29/45/40/1012294540.db2.gz NGABBTSXNBZEBZ-UHFFFAOYSA-N 0 2 412.247 3.602 20 0 HHADLN C[C@H](CCC1CCCCC1)NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 ZINC000523737170 1012357390 /nfs/dbraw/zinc/35/73/90/1012357390.db2.gz MFQJBRJKHZQSHR-CQSZACIVSA-N 0 2 424.592 3.761 20 0 HHADLN CCOc1ccc(-n2c(SCc3n[nH]c(=O)[nH]3)nnc2-c2ccc(F)cc2)cc1 ZINC000537048001 1012369211 /nfs/dbraw/zinc/36/92/11/1012369211.db2.gz DEDNUSDXAKXLFD-UHFFFAOYSA-N 0 2 412.450 3.588 20 0 HHADLN CC(C)(C)[S@](=O)Cc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000523834014 1012522506 /nfs/dbraw/zinc/52/25/06/1012522506.db2.gz KVWOSVPBSJHGTC-RUZDIDTESA-N 0 2 405.463 3.952 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C)[C@H](C)c3sc(C)nc3C)s[nH]2)c1 ZINC000541756158 1012616593 /nfs/dbraw/zinc/61/65/93/1012616593.db2.gz HDBZRAFTPRPEDH-LLVKDONJSA-N 0 2 403.533 3.934 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](c3ccccc3)c3cccnc3)s[nH]2)c1 ZINC000541756130 1012616847 /nfs/dbraw/zinc/61/68/47/1012616847.db2.gz FDCYBFBPXDLZRM-LJQANCHMSA-N 0 2 417.494 3.942 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NC[C@@H]3SCCc4ccccc43)s[nH]2)c1 ZINC000541758016 1012618214 /nfs/dbraw/zinc/61/82/14/1012618214.db2.gz VWKASNORFOKJSW-KRWDZBQOSA-N 0 2 412.540 3.788 20 0 HHADLN O=C(COC(c1ccccc1)c1ccccc1)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552624458 1012625813 /nfs/dbraw/zinc/62/58/13/1012625813.db2.gz JXINRAAECGEFPY-UHFFFAOYSA-N 0 2 400.438 3.922 20 0 HHADLN COCc1nc2cc(NC(=O)N=c3nc(-c4cccc(OC)c4)[nH]s3)ccc2o1 ZINC000541764592 1012628195 /nfs/dbraw/zinc/62/81/95/1012628195.db2.gz GNCKBBRAEVALES-UHFFFAOYSA-N 0 2 411.443 3.567 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cccc(C)c2Cl)nc1C(C)(C)C ZINC000537266004 1012717904 /nfs/dbraw/zinc/71/79/04/1012717904.db2.gz OXVAPKFXNWYICO-UHFFFAOYSA-N 0 2 402.925 3.990 20 0 HHADLN CCCc1cnc(NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)s1 ZINC000537353169 1012820301 /nfs/dbraw/zinc/82/03/01/1012820301.db2.gz SFVFOAGMPOLDPD-UHFFFAOYSA-N 0 2 415.606 3.663 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3[C@@H](C)Cc4cc(OC)ccc4[C@@H]3C)=N2)cc1 ZINC000541992856 1012869328 /nfs/dbraw/zinc/86/93/28/1012869328.db2.gz MKGOQQNTDQGQMO-GJZGRUSLSA-N 0 2 407.470 3.743 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(NC(=O)OC(C)(C)C)cc2)c1 ZINC000729666400 1071774838 /nfs/dbraw/zinc/77/48/38/1071774838.db2.gz RBXYYXHNGLPKSN-UHFFFAOYSA-N 0 2 424.450 3.760 20 0 HHADLN COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1cc2n[nH]cc2cc1C ZINC000729665826 1071781190 /nfs/dbraw/zinc/78/11/90/1071781190.db2.gz NMWYRUUSEHSKLA-UHFFFAOYSA-N 0 2 402.863 3.882 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(SC(F)(F)F)nc1 ZINC001670852546 1071785650 /nfs/dbraw/zinc/78/56/50/1071785650.db2.gz LYKVYVAQYCXCFR-UHFFFAOYSA-N 0 2 424.408 3.712 20 0 HHADLN C[C@@H](NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1)c1cccc(N2CCCC2)c1 ZINC001126994169 1071938726 /nfs/dbraw/zinc/93/87/26/1071938726.db2.gz MWJABFXZGULGED-CYBMUJFWSA-N 0 2 409.408 3.549 20 0 HHADLN C[C@H](NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1)c1cccc(N2CCCC2)c1 ZINC001126994170 1071938751 /nfs/dbraw/zinc/93/87/51/1071938751.db2.gz MWJABFXZGULGED-ZDUSSCGKSA-N 0 2 409.408 3.549 20 0 HHADLN O=C(CCNS(=O)(=O)/C=C\c1ccccc1)Nc1cc(Cl)cc(Cl)c1O ZINC000760412772 1072324474 /nfs/dbraw/zinc/32/44/74/1072324474.db2.gz KAYKMKGQGVTHJH-CLFYSBASSA-N 0 2 415.298 3.618 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCC[C@@H]3C)ccc2F)cc1 ZINC000913419164 1072391097 /nfs/dbraw/zinc/39/10/97/1072391097.db2.gz VRYTVVOOKMYLBA-AWEZNQCLSA-N 0 2 406.479 3.650 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc3c(s2)c(C)ccc3C)c1 ZINC000586752858 1072416423 /nfs/dbraw/zinc/41/64/23/1072416423.db2.gz ZNSBGALSKCHWIB-UHFFFAOYSA-N 0 2 404.513 3.820 20 0 HHADLN O=C(NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)c1c([O-])cc(F)cc1F ZINC000586762377 1072421710 /nfs/dbraw/zinc/42/17/10/1072421710.db2.gz CIRYELCSENJFDO-UHFFFAOYSA-N 0 2 413.424 3.720 20 0 HHADLN CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c1 ZINC000571058353 1072549341 /nfs/dbraw/zinc/54/93/41/1072549341.db2.gz WEGGYPVBADKYLC-UHFFFAOYSA-N 0 2 401.879 3.522 20 0 HHADLN COc1ccc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)c(C)c1OC ZINC000571558682 1072670014 /nfs/dbraw/zinc/67/00/14/1072670014.db2.gz IODLZJCKEPPWIB-UHFFFAOYSA-N 0 2 419.528 3.882 20 0 HHADLN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1nnc(-c2ccco2)s1 ZINC000479113277 1072729393 /nfs/dbraw/zinc/72/93/93/1072729393.db2.gz CVPBTYVRQXCOGE-UHFFFAOYSA-N 0 2 418.269 3.809 20 0 HHADLN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1nnc(C(C)(C)C)s1 ZINC000479113982 1072731056 /nfs/dbraw/zinc/73/10/56/1072731056.db2.gz GQHRTEWFQVZHIA-UHFFFAOYSA-N 0 2 408.318 3.846 20 0 HHADLN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)c1 ZINC000479128456 1072737326 /nfs/dbraw/zinc/73/73/26/1072737326.db2.gz HEXIJWCYNMBQCQ-UHFFFAOYSA-N 0 2 416.933 3.544 20 0 HHADLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2cc(F)ccc2Br)n1 ZINC000479135447 1072745201 /nfs/dbraw/zinc/74/52/01/1072745201.db2.gz HSAKCFVTDWGHPX-UHFFFAOYSA-N 0 2 400.273 3.619 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1c(C)c(C)nn1-c1ccc(Cl)cc1 ZINC000479135246 1072745590 /nfs/dbraw/zinc/74/55/90/1072745590.db2.gz PDBUSZFATJILHG-UHFFFAOYSA-N 0 2 421.906 3.961 20 0 HHADLN O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)c1 ZINC000479143368 1072764258 /nfs/dbraw/zinc/76/42/58/1072764258.db2.gz SRXCRKIXEPAOMV-UHFFFAOYSA-N 0 2 407.904 3.643 20 0 HHADLN CC(C)CC[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cnn(CC(F)(F)F)c3)c2C1 ZINC000479151614 1072774458 /nfs/dbraw/zinc/77/44/58/1072774458.db2.gz FIRLPQDGIJFEMC-UHFFFAOYSA-N 0 2 416.469 3.608 20 0 HHADLN CC(C)CC[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cnn(CC(F)(F)F)c3)c2C1 ZINC000479151614 1072774463 /nfs/dbraw/zinc/77/44/63/1072774463.db2.gz FIRLPQDGIJFEMC-UHFFFAOYSA-N 0 2 416.469 3.608 20 0 HHADLN O=C(c1c(O)cc(F)cc1F)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000588219494 1072918868 /nfs/dbraw/zinc/91/88/68/1072918868.db2.gz PWKYOFYUBJKPHP-LBPRGKRZSA-N 0 2 403.360 3.879 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)c2cn(Cc3ccccc3)c3ccccc3c2=O)s[nH]1 ZINC000555014394 1073067316 /nfs/dbraw/zinc/06/73/16/1073067316.db2.gz PGGBRNBWUMMPPU-UHFFFAOYSA-N 0 2 418.522 3.873 20 0 HHADLN CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1cnc2onc(-c3ccccc3)c2c1 ZINC000555119070 1073177045 /nfs/dbraw/zinc/17/70/45/1073177045.db2.gz CBHIRDWKRFQNBW-UHFFFAOYSA-N 0 2 422.466 3.957 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)c2cnn(-c3ccccc3F)c2-n2cccc2)s[nH]1 ZINC000589937602 1073422420 /nfs/dbraw/zinc/42/24/20/1073422420.db2.gz UOFXBYHTKPCUQZ-UHFFFAOYSA-N 0 2 410.478 3.625 20 0 HHADLN Cc1[nH]c2ccc(Br)cc2c1CC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000589937735 1073423028 /nfs/dbraw/zinc/42/30/28/1073423028.db2.gz UWOQYWVLSLVMMR-UHFFFAOYSA-N 0 2 407.337 3.991 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)c(F)c1 ZINC000555415569 1073450142 /nfs/dbraw/zinc/45/01/42/1073450142.db2.gz FRTSECXVCMQXGP-UHFFFAOYSA-N 0 2 400.840 3.676 20 0 HHADLN CCCCOc1ccc(OC)cc1NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000590261748 1073717251 /nfs/dbraw/zinc/71/72/51/1073717251.db2.gz RRLZETBSURXBQC-UHFFFAOYSA-N 0 2 424.906 3.823 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cnc(OC(C)C)c(Cl)c3)s[nH]2)c1 ZINC000590552872 1073890491 /nfs/dbraw/zinc/89/04/91/1073890491.db2.gz KNATXLRCOKOVQW-UHFFFAOYSA-N 0 2 404.879 3.724 20 0 HHADLN CCOC(=O)c1cc(C(F)(F)F)sc1NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000590592366 1073932091 /nfs/dbraw/zinc/93/20/91/1073932091.db2.gz ZWLFKKGSWFKWJR-UHFFFAOYSA-N 0 2 421.418 3.679 20 0 HHADLN Cn1c(=O)c2ccc(C(=O)Nc3ccc4[nH]c(C(C)(C)C)nc4c3)cc2[nH]c1=S ZINC000899894473 1073945616 /nfs/dbraw/zinc/94/56/16/1073945616.db2.gz FCLCFKDWIRNZFV-UHFFFAOYSA-N 0 2 407.499 3.648 20 0 HHADLN O=S(=O)(Nc1cnc(C2CC2)nc1)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000590695988 1073981716 /nfs/dbraw/zinc/98/17/16/1073981716.db2.gz OBOSEIRYBVTJLG-UHFFFAOYSA-N 0 2 419.400 3.572 20 0 HHADLN C[C@H]1CCCN(Cc2csc(NS(=O)(=O)c3ccc(Cl)cc3F)n2)C1 ZINC000555942332 1073989803 /nfs/dbraw/zinc/98/98/03/1073989803.db2.gz STNXZXPCVWYVDD-NSHDSACASA-N 0 2 403.932 3.968 20 0 HHADLN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1nnc(CC(C)(C)C)o1 ZINC000556036745 1074048915 /nfs/dbraw/zinc/04/89/15/1074048915.db2.gz DTQGONMGQIJTPK-UHFFFAOYSA-N 0 2 406.277 3.669 20 0 HHADLN O=S(=O)(Nc1nnc(CCc2ccccc2)o1)c1csc(-c2ccccc2)n1 ZINC000556037862 1074057249 /nfs/dbraw/zinc/05/72/49/1074057249.db2.gz XXFOUZANRJUFBC-UHFFFAOYSA-N 0 2 412.496 3.779 20 0 HHADLN O=S(=O)(Nc1nnc([C@@H]2COc3ccccc3O2)o1)c1cccc2ccccc21 ZINC000556037137 1074057832 /nfs/dbraw/zinc/05/78/32/1074057832.db2.gz KRSACGTWCFHHCG-KRWDZBQOSA-N 0 2 409.423 3.536 20 0 HHADLN COC(=O)c1cncc(S(=O)(=O)Nc2cccc(Cl)c2SC(C)C)c1 ZINC000573278331 1074315367 /nfs/dbraw/zinc/31/53/67/1074315367.db2.gz KGIUECICQXKICB-UHFFFAOYSA-N 0 2 400.909 3.823 20 0 HHADLN C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000591797492 1074547279 /nfs/dbraw/zinc/54/72/79/1074547279.db2.gz ZHRDLNUFQWLEOS-GFCCVEGCSA-N 0 2 412.433 3.919 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccccc1F)c1cccc(OC(F)(F)F)c1 ZINC000592360796 1074722340 /nfs/dbraw/zinc/72/23/40/1074722340.db2.gz JVDKEOOJPYJHKK-UHFFFAOYSA-N 0 2 415.368 3.770 20 0 HHADLN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2nc3c(s2)c(C)ccc3C)c1 ZINC000592974454 1075141661 /nfs/dbraw/zinc/14/16/61/1075141661.db2.gz XQTSJXBBXHAQNN-UHFFFAOYSA-N 0 2 424.569 3.734 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CCC(OC(C)C)CC2)cc1 ZINC000593122748 1075182031 /nfs/dbraw/zinc/18/20/31/1075182031.db2.gz WXTYMLSNFKEGFZ-UHFFFAOYSA-N 0 2 422.572 3.887 20 0 HHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2nnc([C@H]3COc4ccccc4O3)o2)cc1 ZINC000574265488 1075193050 /nfs/dbraw/zinc/19/30/50/1075193050.db2.gz IJHBVYJBLOGAQL-QGZVFWFLSA-N 0 2 415.471 3.680 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3nc4c(s3)CCCC4(C)C)cc21 ZINC000574613888 1075302261 /nfs/dbraw/zinc/30/22/61/1075302261.db2.gz VBVRSJCLGUNUBA-UHFFFAOYSA-N 0 2 419.572 3.857 20 0 HHADLN CC(C)c1c(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cnn1-c1ccc(F)cc1 ZINC000574710644 1075317276 /nfs/dbraw/zinc/31/72/76/1075317276.db2.gz IYETUQYPTNUJKQ-UHFFFAOYSA-N 0 2 406.421 3.878 20 0 HHADLN CCCN(CC)C(=O)c1ccc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1 ZINC000596898304 1075594153 /nfs/dbraw/zinc/59/41/53/1075594153.db2.gz KKYKEPCTLNOUNN-UHFFFAOYSA-N 0 2 400.529 3.813 20 0 HHADLN CCc1c(C(=O)N=c2nc(-c3ccsc3)[nH]s2)nnn1-c1cccc(Cl)c1 ZINC000596898388 1075594201 /nfs/dbraw/zinc/59/42/01/1075594201.db2.gz RTBFCQZGYLJJPL-UHFFFAOYSA-N 0 2 416.919 3.737 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000596896698 1075594208 /nfs/dbraw/zinc/59/42/08/1075594208.db2.gz DPCOGIQATGHQFI-UHFFFAOYSA-N 0 2 411.512 3.685 20 0 HHADLN Cc1ccc(-c2noc(CCC(=O)N=c3nc(-c4ccsc4)[nH]s3)n2)cc1F ZINC000596897917 1075594568 /nfs/dbraw/zinc/59/45/68/1075594568.db2.gz YTCJMWCFSRMSDP-UHFFFAOYSA-N 0 2 415.475 3.757 20 0 HHADLN CCOc1ccc(Br)cc1S(=O)(=O)Nc1nc(C(C)(C)C)ns1 ZINC000669606068 1075640861 /nfs/dbraw/zinc/64/08/61/1075640861.db2.gz XBQQVYFUVFCLMF-UHFFFAOYSA-N 0 2 420.354 3.798 20 0 HHADLN O=C([O-])[C@@H](NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000780397951 939116123 /nfs/dbraw/zinc/11/61/23/939116123.db2.gz KSOYJBBMOBQJAJ-MJGOQNOKSA-N 0 2 419.884 3.741 20 0 HHADLN CC(C)[C@@H]1N(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC12CCC2 ZINC000553071234 1013046161 /nfs/dbraw/zinc/04/61/61/1013046161.db2.gz MZZPDIFTKMZXCC-INIZCTEOSA-N 0 2 405.545 3.595 20 0 HHADLN C[C@@](NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)(C(=O)[O-])C1CC1 ZINC000780548305 939132718 /nfs/dbraw/zinc/13/27/18/939132718.db2.gz XJKKXMPEMBPTJI-DEOSSOPVSA-N 0 2 418.497 3.651 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N3CCc4cc(Br)cc(F)c4C3)c[nH]c2n1 ZINC000553090928 1013057830 /nfs/dbraw/zinc/05/78/30/1013057830.db2.gz DUALSXLOZUEQGJ-UHFFFAOYSA-N 0 2 416.250 3.744 20 0 HHADLN Cc1cccc(Oc2ccc(S(=O)(=O)Nc3nc(-c4ccncc4)ns3)cc2)c1 ZINC000542219518 1013169981 /nfs/dbraw/zinc/16/99/81/1013169981.db2.gz AXNNLLNRWBQQIB-UHFFFAOYSA-N 0 2 424.507 3.924 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000542237425 1013196712 /nfs/dbraw/zinc/19/67/12/1013196712.db2.gz SUMOIKZKFOFCQA-SFHVURJKSA-N 0 2 417.535 3.685 20 0 HHADLN O=C(NNC(=O)c1ccc(Br)s1)c1ccc(-c2ccc(F)cc2)o1 ZINC000007964004 961383866 /nfs/dbraw/zinc/38/38/66/961383866.db2.gz BSMLEOFOVHBQHH-UHFFFAOYSA-N 0 2 409.236 3.985 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCCCC2)ccc1Cl ZINC000008181110 961465554 /nfs/dbraw/zinc/46/55/54/961465554.db2.gz ACFSQUGIAFLOBO-UHFFFAOYSA-N 0 2 408.907 3.776 20 0 HHADLN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000537733522 1013294496 /nfs/dbraw/zinc/29/44/96/1013294496.db2.gz KBOOURBHBZFPGE-UHFFFAOYSA-N 0 2 406.414 3.709 20 0 HHADLN CCOc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(CC)c3=O)cc1OCC ZINC000011656381 962155485 /nfs/dbraw/zinc/15/54/85/962155485.db2.gz KZOGTQPYPOXYQX-UHFFFAOYSA-N 0 2 413.499 3.755 20 0 HHADLN Cc1cnc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)s1 ZINC000011987317 962220408 /nfs/dbraw/zinc/22/04/08/962220408.db2.gz IGCPHUATWOWSSL-UHFFFAOYSA-N 0 2 423.903 3.864 20 0 HHADLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)COc1ccc2ccccc2c1 ZINC000012225791 962256047 /nfs/dbraw/zinc/25/60/47/962256047.db2.gz NYDOXNVTCIKKKT-UHFFFAOYSA-N 0 2 407.495 3.955 20 0 HHADLN O=C([O-])/C=C/c1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 ZINC000013192658 962375650 /nfs/dbraw/zinc/37/56/50/962375650.db2.gz IKDLPAWOLOLOGD-XBXARRHUSA-N 0 2 401.850 3.668 20 0 HHADLN C[C@@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)c1nc(Cc2ccccc2)no1 ZINC000553425938 1013343968 /nfs/dbraw/zinc/34/39/68/1013343968.db2.gz IETDQWHUHIWRSF-SNVBAGLBSA-N 0 2 413.833 3.632 20 0 HHADLN CC(C)COc1ccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1 ZINC000015683766 962836742 /nfs/dbraw/zinc/83/67/42/962836742.db2.gz BBZFIEUWTLWIQF-UHFFFAOYSA-N 0 2 408.454 3.968 20 0 HHADLN COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)c1 ZINC000016096773 962943429 /nfs/dbraw/zinc/94/34/29/962943429.db2.gz OUIHTVKWKADGGZ-UHFFFAOYSA-N 0 2 421.456 3.536 20 0 HHADLN COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cccc(C(C)=O)c3)n2)c1 ZINC000016096783 962943485 /nfs/dbraw/zinc/94/34/85/962943485.db2.gz FLJJWCFWHHZRKC-UHFFFAOYSA-N 0 2 418.496 3.831 20 0 HHADLN O=C(NCCc1ccco1)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC000017910201 963240032 /nfs/dbraw/zinc/24/00/32/963240032.db2.gz TXQJRVRKEUNLOW-UHFFFAOYSA-N 0 2 419.506 3.867 20 0 HHADLN O=S(=O)(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cc(Cl)sc1Cl ZINC000020628580 963391315 /nfs/dbraw/zinc/39/13/15/963391315.db2.gz GITXYWICTSGSQZ-UHFFFAOYSA-N 0 2 422.283 3.852 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000022882574 963733328 /nfs/dbraw/zinc/73/33/28/963733328.db2.gz UTUUBPVURIETMO-UHFFFAOYSA-N 0 2 418.478 3.509 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CSc4nncn4C4CC4)nc(=O)c3s2)cc1 ZINC000025635281 964320369 /nfs/dbraw/zinc/32/03/69/964320369.db2.gz VYMUXDNGTLRHQO-UHFFFAOYSA-N 0 2 411.512 3.879 20 0 HHADLN Cc1ccccc1C(=O)COC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1C#N ZINC000050532499 964346956 /nfs/dbraw/zinc/34/69/56/964346956.db2.gz XFHPOADWUYXJLQ-UHFFFAOYSA-N 0 2 410.373 3.504 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CSc4nnnn4C(C)C)nc(=O)c3s2)cc1 ZINC000025856113 964374367 /nfs/dbraw/zinc/37/43/67/964374367.db2.gz YZJNILKISGTKOE-UHFFFAOYSA-N 0 2 414.516 3.520 20 0 HHADLN O=C(NCc1ccc(Cl)s1)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000026167983 964472898 /nfs/dbraw/zinc/47/28/98/964472898.db2.gz GPNRURUUDLHEBO-UHFFFAOYSA-N 0 2 405.863 3.718 20 0 HHADLN CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc(OC)c(OC)cc2F)cc1 ZINC000026528143 964589383 /nfs/dbraw/zinc/58/93/83/964589383.db2.gz INTYIMVKCQIDKN-UHFFFAOYSA-N 0 2 411.451 3.601 20 0 HHADLN O=C(NCc1cccs1)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC000027626489 964934756 /nfs/dbraw/zinc/93/47/56/964934756.db2.gz XIHRHKABEKHQIM-UHFFFAOYSA-N 0 2 421.547 3.919 20 0 HHADLN COc1ccc(-c2nc(SCC(=O)N(C)[C@H](C)CC(C)C)[nH]c(=O)c2C#N)cc1 ZINC000053661179 965241088 /nfs/dbraw/zinc/24/10/88/965241088.db2.gz PCOIJOVYKKVYLG-CQSZACIVSA-N 0 2 414.531 3.715 20 0 HHADLN COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1cccc2n[nH]cc21 ZINC000057119624 965289896 /nfs/dbraw/zinc/28/98/96/965289896.db2.gz GZZOZVMFVUSBAR-UHFFFAOYSA-N 0 2 416.684 3.788 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(OCC(=O)N(C)C)c1 ZINC000057124381 965298120 /nfs/dbraw/zinc/29/81/20/965298120.db2.gz UOKSDLLQUANGPA-UHFFFAOYSA-N 0 2 417.314 3.570 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1)[C@H]1CCCO1 ZINC000030531913 965719547 /nfs/dbraw/zinc/71/95/47/965719547.db2.gz ULOAEYAVTVMBPL-LLVKDONJSA-N 0 2 421.327 3.973 20 0 HHADLN O=C(NC(C1CC1)C1CC1)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC000030651382 965755703 /nfs/dbraw/zinc/75/57/03/965755703.db2.gz ROEIVXZWVDIMJD-UHFFFAOYSA-N 0 2 419.550 3.846 20 0 HHADLN CCOC(=O)N=c1[nH]c2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2s1 ZINC000058495633 965755830 /nfs/dbraw/zinc/75/58/30/965755830.db2.gz SOZNILOXPHPOIH-UHFFFAOYSA-N 0 2 413.427 3.944 20 0 HHADLN O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc2c(=O)[nH]c(=S)[nH]c2c1 ZINC000055187078 965778396 /nfs/dbraw/zinc/77/83/96/965778396.db2.gz NIPRESUPGRNWMQ-UHFFFAOYSA-N 0 2 405.483 3.540 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)s[nH]2)c1 ZINC000542688444 1013608242 /nfs/dbraw/zinc/60/82/42/1013608242.db2.gz HYTPCWRFSWDEBN-IEBWSBKVSA-N 0 2 424.526 3.925 20 0 HHADLN Cc1cc(Br)ccc1NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000055565316 965922287 /nfs/dbraw/zinc/92/22/87/965922287.db2.gz XIAFBJWKVGUXJQ-UHFFFAOYSA-N 0 2 413.268 3.582 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCc3cc(F)ccc3SC)s[nH]2)c1 ZINC000542696722 1013614668 /nfs/dbraw/zinc/61/46/68/1013614668.db2.gz ZDBBBWRSDCJYHT-UHFFFAOYSA-N 0 2 404.492 3.818 20 0 HHADLN CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1Cl ZINC000055663301 966006447 /nfs/dbraw/zinc/00/64/47/966006447.db2.gz ZGHUREQKTNVMKZ-UHFFFAOYSA-N 0 2 402.850 3.805 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC2CCC2)ccc1Cl ZINC000031440276 966017788 /nfs/dbraw/zinc/01/77/88/966017788.db2.gz XQQRFPYXMNDWNW-UHFFFAOYSA-N 0 2 408.907 3.679 20 0 HHADLN CCOC(=O)/C=C/c1ccc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])cc1 ZINC000060442032 966144876 /nfs/dbraw/zinc/14/48/76/966144876.db2.gz ZBWCFNJIYDWRHV-JXMROGBWSA-N 0 2 404.444 3.589 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(OCC(F)(F)F)c2)c(F)c1 ZINC000032600215 966292637 /nfs/dbraw/zinc/29/26/37/966292637.db2.gz NCCOZOIBXINDFC-UHFFFAOYSA-N 0 2 406.357 3.526 20 0 HHADLN Cc1csc(C(C#N)C(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)n1 ZINC000041515922 966584558 /nfs/dbraw/zinc/58/45/58/966584558.db2.gz VLFFVGYORLGWCK-TZMCWYRMSA-N 0 2 418.316 3.752 20 0 HHADLN Cc1csc([C@H](C#N)C(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)n1 ZINC000041515922 966584582 /nfs/dbraw/zinc/58/45/82/966584582.db2.gz VLFFVGYORLGWCK-TZMCWYRMSA-N 0 2 418.316 3.752 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2[nH]nc(C)c2-c2cccc(Br)c2)cc1 ZINC000542755545 1013662580 /nfs/dbraw/zinc/66/25/80/1013662580.db2.gz QXZHCGWDYLALSP-UHFFFAOYSA-N 0 2 422.304 3.957 20 0 HHADLN Cc1ccc(Oc2ccccc2)c(NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)c1 ZINC000538092046 1013663542 /nfs/dbraw/zinc/66/35/42/1013663542.db2.gz FIYGNSZMMJJRHH-UHFFFAOYSA-N 0 2 413.499 3.628 20 0 HHADLN Cn1cc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cn1 ZINC000063181692 966770569 /nfs/dbraw/zinc/77/05/69/966770569.db2.gz GXIGIYARHPJRSS-UHFFFAOYSA-N 0 2 405.867 3.518 20 0 HHADLN O=S(=O)(Nc1cnn(C[C@@H]2CCCO2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000042714759 966833680 /nfs/dbraw/zinc/83/36/80/966833680.db2.gz SNEXJAMZBYUPBY-NSHDSACASA-N 0 2 409.817 3.535 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3ccc4nc(C5CC5)sc4c3)c(F)cc2N1 ZINC000063879274 966985753 /nfs/dbraw/zinc/98/57/53/966985753.db2.gz HJGGFMRXANSXOS-UHFFFAOYSA-N 0 2 417.487 3.998 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(-c4cc[nH]n4)cc3)cc2[nH]c1=S ZINC000045097314 967350824 /nfs/dbraw/zinc/35/08/24/967350824.db2.gz ADHGBZRSNMLCOM-UHFFFAOYSA-N 0 2 403.467 3.514 20 0 HHADLN COCCOc1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cn1 ZINC000065106892 967378955 /nfs/dbraw/zinc/37/89/55/967378955.db2.gz WBKRCKXLOBWTSA-UHFFFAOYSA-N 0 2 417.263 3.512 20 0 HHADLN CNC(=O)c1ccc(C)c(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 ZINC000065106795 967379561 /nfs/dbraw/zinc/37/95/61/967379561.db2.gz FOMCWZJDGVYCGI-UHFFFAOYSA-N 0 2 413.275 3.760 20 0 HHADLN CNC(=O)c1cccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1C ZINC000065107186 967380270 /nfs/dbraw/zinc/38/02/70/967380270.db2.gz JOCLXGCGCRTYSQ-UHFFFAOYSA-N 0 2 413.275 3.760 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2[nH]c1=S ZINC000045902111 967590231 /nfs/dbraw/zinc/59/02/31/967590231.db2.gz DKZLMOHWHSXEAI-CQSZACIVSA-N 0 2 409.511 3.687 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cccc(OCc3ccccn3)c2)cc1OC ZINC000047906152 968358211 /nfs/dbraw/zinc/35/82/11/968358211.db2.gz FSVYGRLJBXRMGG-UHFFFAOYSA-N 0 2 418.446 3.618 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1 ZINC000538299500 1013834677 /nfs/dbraw/zinc/83/46/77/1013834677.db2.gz XIMZOQGOCJMLTD-UHFFFAOYSA-N 0 2 422.846 3.700 20 0 HHADLN O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1Br)N1CCCC1 ZINC000071977370 968918874 /nfs/dbraw/zinc/91/88/74/968918874.db2.gz JJKXUNHGJUGQMF-UHFFFAOYSA-N 0 2 424.320 3.878 20 0 HHADLN CCCN(CCC)C(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000098067308 969188042 /nfs/dbraw/zinc/18/80/42/969188042.db2.gz RULGSPLJLLBXKZ-UHFFFAOYSA-N 0 2 408.495 3.897 20 0 HHADLN COc1cc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c(OC)cc1Cl ZINC000105635512 969252663 /nfs/dbraw/zinc/25/26/63/969252663.db2.gz BWINLKJHNIPECU-UHFFFAOYSA-N 0 2 418.858 3.877 20 0 HHADLN Cc1cc(Br)cnc1NS(=O)(=O)c1ccc(F)cc1Br ZINC000122957253 969969383 /nfs/dbraw/zinc/96/93/83/969969383.db2.gz YWBBHRKLJABXFK-UHFFFAOYSA-N 0 2 424.089 3.855 20 0 HHADLN Cc1ccc(Br)cc1S(=O)(=O)Nc1cccc(Br)n1 ZINC000134707274 969975083 /nfs/dbraw/zinc/97/50/83/969975083.db2.gz WBGOVLIYJOTKCY-UHFFFAOYSA-N 0 2 406.099 3.716 20 0 HHADLN O=C(CSc1nnc(N2CCCCC2)n1-c1ccccc1)NOCc1ccccc1 ZINC000247731305 970477629 /nfs/dbraw/zinc/47/76/29/970477629.db2.gz HNDKRGCKBSPNKD-UHFFFAOYSA-N 0 2 423.542 3.598 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N[C@@H](c3ccc(OC)cc3)C3CC3)cc2[nH]c1=S ZINC000249695569 970531040 /nfs/dbraw/zinc/53/10/40/970531040.db2.gz RCBPURFCGVFGGC-LJQANCHMSA-N 0 2 409.511 3.595 20 0 HHADLN Cc1ccc(N2C(=O)C[C@H](C(=O)NO[C@H]3CCCCO3)[C@H]2c2cccs2)cc1 ZINC000251273835 970543513 /nfs/dbraw/zinc/54/35/13/970543513.db2.gz MWMTZDOWORVRRA-VDGAXYAQSA-N 0 2 400.500 3.725 20 0 HHADLN C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1nc(-c2ccccc2)oc1C1CC1 ZINC000261394371 970647449 /nfs/dbraw/zinc/64/74/49/970647449.db2.gz UHJFVZUWKJRPEE-CYBMUJFWSA-N 0 2 409.417 3.587 20 0 HHADLN CCC(C)(C)[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)OC)nc3)sc2C1 ZINC000554733267 1014034254 /nfs/dbraw/zinc/03/42/54/1014034254.db2.gz DCEKQJQUTQQQQM-GFCCVEGCSA-N 0 2 423.560 3.667 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(C)c(Br)c1 ZINC000318250489 972660488 /nfs/dbraw/zinc/66/04/88/972660488.db2.gz GPRMXMGWKBRPMP-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2cnc(Cl)c(Br)c2)cc1C ZINC000323013272 972707089 /nfs/dbraw/zinc/70/70/89/972707089.db2.gz OOJWTYIQTNOGGP-UHFFFAOYSA-N 0 2 420.672 3.823 20 0 HHADLN Cc1cc(N(C)C)ccc1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000324686650 972724413 /nfs/dbraw/zinc/72/44/13/972724413.db2.gz RCYINHDUPRZJHS-UHFFFAOYSA-N 0 2 414.281 3.533 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(Br)c(F)c2)n(-c2ccccc2)n1 ZINC000326129377 972738698 /nfs/dbraw/zinc/73/86/98/972738698.db2.gz PXLXSEDZHJKRBD-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cc(Br)cnc2Cl)cc1[N+](=O)[O-] ZINC000385862580 972796786 /nfs/dbraw/zinc/79/67/86/972796786.db2.gz HBGMRDVOISFAAW-UHFFFAOYSA-N 0 2 406.645 3.515 20 0 HHADLN COc1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)cc1OC ZINC000390158723 972820446 /nfs/dbraw/zinc/82/04/46/972820446.db2.gz ZBTPYVFOQHGFNU-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN Cc1ccc(Cc2cnc(NS(=O)(=O)c3cccc4c3OCCO4)s2)cc1C ZINC000409499540 972951567 /nfs/dbraw/zinc/95/15/67/972951567.db2.gz HMQMEJCVFOHGHN-UHFFFAOYSA-N 0 2 416.524 3.923 20 0 HHADLN COc1ccc(CCC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cc1 ZINC000409542783 972999803 /nfs/dbraw/zinc/99/98/03/972999803.db2.gz DIYWGZKDDFTADL-UHFFFAOYSA-N 0 2 419.254 3.953 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000409569818 973018531 /nfs/dbraw/zinc/01/85/31/973018531.db2.gz HUUOCBIZLAWZLZ-UHFFFAOYSA-N 0 2 411.499 3.662 20 0 HHADLN COc1ccc(Br)c(CS(=O)(=O)Nc2ncc(C(C)C)s2)c1 ZINC000410331571 973907352 /nfs/dbraw/zinc/90/73/52/973907352.db2.gz ATKXBNVBLGXSIO-UHFFFAOYSA-N 0 2 405.339 3.980 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3cc([C@H]4CCCO4)nn3C)c2)n1 ZINC000410332479 973908707 /nfs/dbraw/zinc/90/87/07/973908707.db2.gz GZKWDSBUFPDQIY-MRXNPFEDSA-N 0 2 404.517 3.504 20 0 HHADLN Cc1cnn(-c2ccncc2NS(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c1 ZINC000410337382 973919968 /nfs/dbraw/zinc/91/99/68/973919968.db2.gz ATYDXAGCFFJRPG-UHFFFAOYSA-N 0 2 411.512 3.808 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3c(C)c(C(F)(F)F)nn3C)c2)n1 ZINC000410337168 973920121 /nfs/dbraw/zinc/92/01/21/973920121.db2.gz IJNHBCHVVKHKAF-UHFFFAOYSA-N 0 2 416.450 3.980 20 0 HHADLN CC(C)(O)COc1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1 ZINC000410378860 973976931 /nfs/dbraw/zinc/97/69/31/973976931.db2.gz CCKTXCICWKKZDO-UHFFFAOYSA-N 0 2 418.284 3.539 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NC12CCC(C(F)(F)F)(CC1)CC2 ZINC000426236773 974333239 /nfs/dbraw/zinc/33/32/39/974333239.db2.gz ITQZOCBOGZNGPN-UHFFFAOYSA-N 0 2 423.439 3.838 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)c2cc(=O)[nH]c3c(Br)cccc23)s[nH]1 ZINC000426710359 974609164 /nfs/dbraw/zinc/60/91/64/974609164.db2.gz VWKCPVVJXSHPRT-UHFFFAOYSA-N 0 2 407.293 3.526 20 0 HHADLN O=C([O-])[C@H]([NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)c1ccc(Cl)c(F)c1 ZINC000426725736 974618030 /nfs/dbraw/zinc/61/80/30/974618030.db2.gz DOYRHRJOYUGHHF-MRXNPFEDSA-N 0 2 413.211 3.768 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](c3ccco3)c3ccccc3OC)=N2)cc1 ZINC000426961048 974780707 /nfs/dbraw/zinc/78/07/07/974780707.db2.gz WXLHZFYXSSGQDP-OAQYLSRUSA-N 0 2 419.437 3.708 20 0 HHADLN CCC(=O)Nc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1 ZINC000427136390 974932106 /nfs/dbraw/zinc/93/21/06/974932106.db2.gz JXENMXQYKZGQKY-UHFFFAOYSA-N 0 2 406.357 3.874 20 0 HHADLN O=C(Nc1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1)C1CC1 ZINC000427138055 974933302 /nfs/dbraw/zinc/93/33/02/974933302.db2.gz VKNHYOLMMSFZME-UHFFFAOYSA-N 0 2 418.368 3.874 20 0 HHADLN O=C1CCCc2cc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3F)ccc2N1 ZINC000427199360 974972938 /nfs/dbraw/zinc/97/29/38/974972938.db2.gz XUYDLUAPTHQZBL-UHFFFAOYSA-N 0 2 418.368 3.800 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C)c1 ZINC000427240412 974999868 /nfs/dbraw/zinc/99/98/68/974999868.db2.gz ZRIZDWVKTUAWSJ-UHFFFAOYSA-N 0 2 419.890 3.812 20 0 HHADLN Cc1ccsc1S(=O)(=O)Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1 ZINC000427312377 975044275 /nfs/dbraw/zinc/04/42/75/975044275.db2.gz IPJAJLLQWWHRKP-UHFFFAOYSA-N 0 2 422.553 3.799 20 0 HHADLN O=C(Nc1cccc(Cl)c1O)[C@H]1CC[C@H](C(=O)Nc2cccc(Cl)c2O)O1 ZINC000427633446 975217681 /nfs/dbraw/zinc/21/76/81/975217681.db2.gz JHFAXDNNOIEFJI-ZIAGYGMSSA-N 0 2 411.241 3.529 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)nc2c1CCCC2 ZINC000427752024 975268097 /nfs/dbraw/zinc/26/80/97/975268097.db2.gz KGNOTOSPAPWQNA-UHFFFAOYSA-N 0 2 405.373 3.502 20 0 HHADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3F)o2)s1 ZINC000427755597 975270361 /nfs/dbraw/zinc/27/03/61/975270361.db2.gz GBJREGDQHILCAB-UHFFFAOYSA-N 0 2 423.369 3.945 20 0 HHADLN Cc1nc2ccc(S(=O)(=O)Nc3nnc(Cc4cccc(F)c4)o3)cc2s1 ZINC000427794906 975293255 /nfs/dbraw/zinc/29/32/55/975293255.db2.gz WPFBKKIPVVTTMP-UHFFFAOYSA-N 0 2 404.448 3.518 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(C(C)(C)C)co1 ZINC000427795667 975293291 /nfs/dbraw/zinc/29/32/91/975293291.db2.gz FROCDVODJZPYNF-UHFFFAOYSA-N 0 2 407.275 3.866 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N(C)Cc3ccc(Br)c(F)c3)c[nH]c2n1 ZINC000428043492 975401853 /nfs/dbraw/zinc/40/18/53/975401853.db2.gz GZNSQGYHZZFXSP-UHFFFAOYSA-N 0 2 404.239 3.818 20 0 HHADLN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC000428612754 975919170 /nfs/dbraw/zinc/91/91/70/975919170.db2.gz ADVFKUWBPCIYEL-SFHVURJKSA-N 0 2 415.877 3.700 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2noc(-c3ccccc3Cl)n2)cc1Cl ZINC000430071840 977308252 /nfs/dbraw/zinc/30/82/52/977308252.db2.gz PMEJXXVRRBSEQF-UHFFFAOYSA-N 0 2 400.243 3.853 20 0 HHADLN CCCC[C@H](NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)C(=O)OC ZINC000430565866 977634459 /nfs/dbraw/zinc/63/44/59/977634459.db2.gz BDFFGIWOQUBCCC-FQEVSTJZSA-N 0 2 408.454 3.782 20 0 HHADLN CCOC(=O)c1nc(C)n(C)c1NS(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000430649497 977667534 /nfs/dbraw/zinc/66/75/34/977667534.db2.gz ALEJTSVLPSSDHR-UHFFFAOYSA-N 0 2 413.908 3.574 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc3ccc(Br)cn3n2)c(C)c1C ZINC000430649818 977667646 /nfs/dbraw/zinc/66/76/46/977667646.db2.gz JEMGSFUCXSOPTG-UHFFFAOYSA-N 0 2 410.293 3.523 20 0 HHADLN CC1(C)[C@H](NC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)[C@H]2CCO[C@@H]21 ZINC000430663465 977675103 /nfs/dbraw/zinc/67/51/03/977675103.db2.gz JRTXLQLBTHAXOO-HVETUWLQSA-N 0 2 404.466 3.864 20 0 HHADLN COC(=O)CC1CCN(C(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)CC1 ZINC000430667251 977678398 /nfs/dbraw/zinc/67/83/98/977678398.db2.gz VHJHVGOZHNQDAV-UHFFFAOYSA-N 0 2 420.465 3.736 20 0 HHADLN Cc1cc(C)c(S(=O)(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)s1 ZINC000431168826 978069240 /nfs/dbraw/zinc/06/92/40/978069240.db2.gz SQLYKQOZEHSBGA-UHFFFAOYSA-N 0 2 401.575 3.879 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)cc1 ZINC000431322720 978207621 /nfs/dbraw/zinc/20/76/21/978207621.db2.gz AUXIPLVLJLAVNE-UHFFFAOYSA-N 0 2 417.512 3.799 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc3c(c2)OCCO3)cnn1-c1ccccc1C ZINC000432053238 978661995 /nfs/dbraw/zinc/66/19/95/978661995.db2.gz DYTILTKGPFMVHJ-UHFFFAOYSA-N 0 2 413.499 3.705 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC(c3c[nH]c4ncccc34)CC2)=N1 ZINC000432317774 978759243 /nfs/dbraw/zinc/75/92/43/978759243.db2.gz LSFJEGWSHAQZNO-UHFFFAOYSA-N 0 2 419.460 3.922 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)sc1C1CC1 ZINC000432359236 978776888 /nfs/dbraw/zinc/77/68/88/978776888.db2.gz QBXDTZOSBVGFRF-UHFFFAOYSA-N 0 2 420.434 3.768 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)sc1C1CC1 ZINC000432363791 978778792 /nfs/dbraw/zinc/77/87/92/978778792.db2.gz DEGHXBNXQWZLPE-UHFFFAOYSA-N 0 2 424.397 3.766 20 0 HHADLN CCn1ccnc1[C@@H]1CCCCN1C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000432438548 978812948 /nfs/dbraw/zinc/81/29/48/978812948.db2.gz APVZCUUXGJAXAY-INIZCTEOSA-N 0 2 412.519 3.611 20 0 HHADLN CC(C)Oc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)ccc1C(N)=O ZINC000432480878 978839083 /nfs/dbraw/zinc/83/90/83/978839083.db2.gz XKAMUTIVRGWMKX-UHFFFAOYSA-N 0 2 409.316 3.742 20 0 HHADLN O=S(=O)(Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1cncc(Cl)c1 ZINC000432531982 978868777 /nfs/dbraw/zinc/86/87/77/978868777.db2.gz SHZUDMGLATWPCV-OAHLLOKOSA-N 0 2 406.920 3.856 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc(C)c(C(F)(F)F)c3)cnc2c1Cl ZINC000432749928 978958391 /nfs/dbraw/zinc/95/83/91/978958391.db2.gz JSOGWESMPLPLBL-UHFFFAOYSA-N 0 2 404.801 3.819 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NS(=O)(=O)c1ccccc1 ZINC000432760877 978963291 /nfs/dbraw/zinc/96/32/91/978963291.db2.gz PTPFGPMIYDOPGW-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN O=C(Nc1nc(-c2ccncc2)n[nH]1)c1ccc(Sc2ccccc2Cl)nn1 ZINC000433082904 979063255 /nfs/dbraw/zinc/06/32/55/979063255.db2.gz LWQZCIDABLUUBJ-UHFFFAOYSA-N 0 2 409.862 3.714 20 0 HHADLN CCOC(=O)c1cccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)c1 ZINC000433112500 979079080 /nfs/dbraw/zinc/07/90/80/979079080.db2.gz BBKZIWFQIXDQSD-UHFFFAOYSA-N 0 2 403.460 3.702 20 0 HHADLN CC(C)n1nc(-c2ccco2)cc1NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000433143384 979096882 /nfs/dbraw/zinc/09/68/82/979096882.db2.gz YLVQKFUGOGYWKT-UHFFFAOYSA-N 0 2 414.487 3.800 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2ccnn2-c2nc(C)cc(C)n2)c2ccccc12 ZINC000433386432 979268825 /nfs/dbraw/zinc/26/88/25/979268825.db2.gz OKHSXOHUCVOYGS-UHFFFAOYSA-N 0 2 423.498 3.632 20 0 HHADLN CCc1cccc(S(=O)(=O)Nc2cc(C)nn2-c2ccc(C(F)(F)F)cn2)c1 ZINC000433497901 979338656 /nfs/dbraw/zinc/33/86/56/979338656.db2.gz SDDNEIDVHMPTBD-UHFFFAOYSA-N 0 2 410.421 3.958 20 0 HHADLN O=S(=O)(Nc1ccc(-c2nc[nH]n2)cc1)c1cc(Br)sc1Cl ZINC000433595297 979411857 /nfs/dbraw/zinc/41/18/57/979411857.db2.gz HWKIGPQLXWJUPZ-UHFFFAOYSA-N 0 2 419.713 3.750 20 0 HHADLN O=C1CCc2ccc(NS(=O)(=O)c3cc(Br)sc3Cl)cc2N1 ZINC000433609535 979422629 /nfs/dbraw/zinc/42/26/29/979422629.db2.gz UHYYADBBWMYEQN-UHFFFAOYSA-N 0 2 421.725 3.850 20 0 HHADLN CNC(=O)Nc1cccc(NS(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000433611942 979425089 /nfs/dbraw/zinc/42/50/89/979425089.db2.gz HEGXNDVQDUCGMG-UHFFFAOYSA-N 0 2 424.729 3.716 20 0 HHADLN CCC(=O)c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)OC)c1 ZINC000433614074 979426790 /nfs/dbraw/zinc/42/67/90/979426790.db2.gz BLESIGPTCMMXEE-UHFFFAOYSA-N 0 2 415.389 3.886 20 0 HHADLN C[C@@H]1CCc2onc(C(=O)Nc3nc(-c4ccc(Br)cc4)n[nH]3)c2C1 ZINC000434129249 979886087 /nfs/dbraw/zinc/88/60/87/979886087.db2.gz VTDMRXJFJSTHLU-SECBINFHSA-N 0 2 402.252 3.599 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)NC1CCC2(CC2)CC1 ZINC000434230837 980001231 /nfs/dbraw/zinc/00/12/31/980001231.db2.gz XRQAPCXYKXGUGZ-UHFFFAOYSA-N 0 2 406.533 3.788 20 0 HHADLN Cc1cc2sc(NC(=O)NCc3nnc(COc4ccccc4)[nH]3)nc2cc1F ZINC000434523371 980226470 /nfs/dbraw/zinc/22/64/70/980226470.db2.gz OBHONWKZXPNZTH-UHFFFAOYSA-N 0 2 412.450 3.763 20 0 HHADLN COc1cc(C)cc(C)c1S(=O)(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000434636502 980311028 /nfs/dbraw/zinc/31/10/28/980311028.db2.gz ZTJUKDWBWYLBFO-MRXNPFEDSA-N 0 2 409.479 3.810 20 0 HHADLN CC(C)[C@H](CNC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000434688782 980341222 /nfs/dbraw/zinc/34/12/22/980341222.db2.gz PNGOGSIRAFNQCL-QHCPKHFHSA-N 0 2 408.590 3.955 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc(F)cc2Br)cnn1-c1ccccc1 ZINC000435140090 980671289 /nfs/dbraw/zinc/67/12/89/980671289.db2.gz RCMARCFKTPKLGX-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc(Br)cc2)cnn1-c1ccccc1F ZINC000435141783 980674431 /nfs/dbraw/zinc/67/44/31/980674431.db2.gz BNMUWWDAFMMQNI-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc(F)c(Br)c2)cnn1-c1ccccc1 ZINC000435143443 980675313 /nfs/dbraw/zinc/67/53/13/980675313.db2.gz QMPCKBVPXYQHKJ-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN CCOc1ccc(OC)cc1NS(=O)(=O)c1cc(F)ccc1Br ZINC000435144361 980676206 /nfs/dbraw/zinc/67/62/06/980676206.db2.gz DWHHDOOUWVPPNV-UHFFFAOYSA-N 0 2 404.257 3.796 20 0 HHADLN O=S(=O)(Nc1ccc2c(c1)nc1n2CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000435195660 980713110 /nfs/dbraw/zinc/71/31/10/980713110.db2.gz HMCUIDAHUOSITM-UHFFFAOYSA-N 0 2 421.526 3.808 20 0 HHADLN CCn1nnnc1-c1cccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435472738 980886200 /nfs/dbraw/zinc/88/62/00/980886200.db2.gz GRFIPWCWAKNQCQ-UHFFFAOYSA-N 0 2 416.265 3.607 20 0 HHADLN Cc1nccc(-c2cccc(NS(=O)(=O)c3cnc(-c4ccccc4)nc3)c2)n1 ZINC000436011444 981153812 /nfs/dbraw/zinc/15/38/12/981153812.db2.gz BXLNDHWQWDSSSR-UHFFFAOYSA-N 0 2 403.467 3.710 20 0 HHADLN CCn1cnnc1-c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000436013537 981155179 /nfs/dbraw/zinc/15/51/79/981155179.db2.gz CARYCJOREQUBLE-UHFFFAOYSA-N 0 2 414.384 3.924 20 0 HHADLN O=C(c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1)N1CCCC1 ZINC000436020221 981160089 /nfs/dbraw/zinc/16/00/89/981160089.db2.gz KAZYBROJORVDPR-UHFFFAOYSA-N 0 2 416.396 3.881 20 0 HHADLN O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1F ZINC000436031667 981169380 /nfs/dbraw/zinc/16/93/80/981169380.db2.gz YOFXQPZRWKJYBL-UHFFFAOYSA-N 0 2 420.359 3.911 20 0 HHADLN O=S(=O)(Nc1ccc(Oc2cccnc2)nc1)c1cnc(-c2ccccc2)nc1 ZINC000436155351 981225098 /nfs/dbraw/zinc/22/50/98/981225098.db2.gz TWGAGVUIPRTCLB-UHFFFAOYSA-N 0 2 405.439 3.527 20 0 HHADLN Cc1ccsc1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F ZINC000436156818 981225843 /nfs/dbraw/zinc/22/58/43/981225843.db2.gz XEGPVUFXYAHZJS-UHFFFAOYSA-N 0 2 404.435 3.699 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000436192894 981243858 /nfs/dbraw/zinc/24/38/58/981243858.db2.gz VPNCALKUQKZVCA-UHFFFAOYSA-N 0 2 408.270 3.546 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1noc2c1CCCCC2 ZINC000436239390 981264271 /nfs/dbraw/zinc/26/42/71/981264271.db2.gz OANSNXZDBFYEBR-UHFFFAOYSA-N 0 2 402.252 3.743 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000436375379 981334887 /nfs/dbraw/zinc/33/48/87/981334887.db2.gz ZPDMNDBIIMBLJS-NEPJUHHUSA-N 0 2 408.455 3.968 20 0 HHADLN COc1ccc(-c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)c(O)c1 ZINC000436522246 981415041 /nfs/dbraw/zinc/41/50/41/981415041.db2.gz SHRZOVCHTCUUGS-UHFFFAOYSA-N 0 2 414.219 3.665 20 0 HHADLN CC1(C)CN([C@@H](CNC(=O)c2cc(F)c(O)c(F)c2)c2ccc(Cl)cc2)CCO1 ZINC000436523503 981416810 /nfs/dbraw/zinc/41/68/10/981416810.db2.gz TYFPCNPDKRGNMV-SFHVURJKSA-N 0 2 424.875 3.906 20 0 HHADLN O=C(N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cc(F)c(O)c(F)c1 ZINC000436523777 981416837 /nfs/dbraw/zinc/41/68/37/981416837.db2.gz WCPLGKFVEHCILD-SNVBAGLBSA-N 0 2 421.753 3.746 20 0 HHADLN Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3cc(F)c(O)c(F)c3)c2)cc1 ZINC000436530609 981422679 /nfs/dbraw/zinc/42/26/79/981422679.db2.gz MTSGIMWETIWGSY-UHFFFAOYSA-N 0 2 410.420 3.839 20 0 HHADLN O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(F)c(O)c(F)c1 ZINC000436531327 981423582 /nfs/dbraw/zinc/42/35/82/981423582.db2.gz HDKZLVBKMBQJNL-UHFFFAOYSA-N 0 2 402.319 3.778 20 0 HHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000436533180 981425236 /nfs/dbraw/zinc/42/52/36/981425236.db2.gz UOTXDTPAPWOELJ-UHFFFAOYSA-N 0 2 415.223 3.575 20 0 HHADLN O=C(NCc1cccc(NC(=O)c2ccc(F)cc2)c1)c1cc(F)c(O)c(F)c1 ZINC000436539740 981429788 /nfs/dbraw/zinc/42/97/88/981429788.db2.gz ZMZAOEOSUCBQNK-UHFFFAOYSA-N 0 2 400.356 3.992 20 0 HHADLN O=S(=O)(NCc1ccccc1)c1ccc(O)c(-c2nc(CC3CCCC3)no2)c1 ZINC000436560282 981444089 /nfs/dbraw/zinc/44/40/89/981444089.db2.gz CJPMFIDXZIQTOJ-UHFFFAOYSA-N 0 2 413.499 3.653 20 0 HHADLN CN(C)C(=O)Cn1ccc2ccc(NC(=O)c3c(O)cc(Cl)cc3Cl)cc21 ZINC000436577794 981455661 /nfs/dbraw/zinc/45/56/61/981455661.db2.gz SPTXOBCWBSVMEX-UHFFFAOYSA-N 0 2 406.269 3.994 20 0 HHADLN Cc1noc(C2CCN(C(=O)c3cc(Cl)cc(Br)c3O)CC2)n1 ZINC000436635703 981485789 /nfs/dbraw/zinc/48/57/89/981485789.db2.gz QRFAHIXZBWUOQS-UHFFFAOYSA-N 0 2 400.660 3.519 20 0 HHADLN O=C(c1cc(-c2ccccc2)cc(Cl)c1O)N1CCN(CC(F)(F)F)C(=O)C1 ZINC000436673117 981504842 /nfs/dbraw/zinc/50/48/42/981504842.db2.gz PETDKVOLQYNMEQ-UHFFFAOYSA-N 0 2 412.795 3.559 20 0 HHADLN C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436715096 981527339 /nfs/dbraw/zinc/52/73/39/981527339.db2.gz HUSSUGGTESVKGS-VXGBXAGGSA-N 0 2 407.923 3.524 20 0 HHADLN C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436715096 981527341 /nfs/dbraw/zinc/52/73/41/981527341.db2.gz HUSSUGGTESVKGS-VXGBXAGGSA-N 0 2 407.923 3.524 20 0 HHADLN CNC(=O)c1cnc(/C=C\c2cc(Br)c(O)c(Br)c2)s1 ZINC000436729238 981534998 /nfs/dbraw/zinc/53/49/98/981534998.db2.gz QTPKMTHHZWWRCY-IHWYPQMZSA-N 0 2 418.110 3.904 20 0 HHADLN O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cc(Br)cc(Cl)c1[O-] ZINC000436734827 981537477 /nfs/dbraw/zinc/53/74/77/981537477.db2.gz DUMNWACQMWHULA-UHFFFAOYSA-N 0 2 407.655 3.700 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N(CCO)Cc1cccc(Br)c1 ZINC000436742131 981540837 /nfs/dbraw/zinc/54/08/37/981540837.db2.gz WXNYYYGJUBHWAC-UHFFFAOYSA-N 0 2 402.647 3.582 20 0 HHADLN COc1ccc2c(c1)OCCN(C(=O)c1cc(Cl)cc(Br)c1O)C2 ZINC000436743446 981541373 /nfs/dbraw/zinc/54/13/73/981541373.db2.gz HDBDQEPPAVTYKQ-UHFFFAOYSA-N 0 2 412.667 3.852 20 0 HHADLN O=C(NCc1ccc(N2CCOCC2)nc1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436756150 981547576 /nfs/dbraw/zinc/54/75/76/981547576.db2.gz PRBCEDQPWDXZHJ-UHFFFAOYSA-N 0 2 423.900 3.874 20 0 HHADLN Cc1cc(N2CCN(C(=O)c3c(O)cc(Cl)cc3Cl)CC2)nc(C(C)C)n1 ZINC000436758267 981549227 /nfs/dbraw/zinc/54/92/27/981549227.db2.gz MOQAWIKBSYXFPX-UHFFFAOYSA-N 0 2 409.317 3.883 20 0 HHADLN Cc1ccc(N2CCC(NC(=O)c3cc(Br)cc(Cl)c3[O-])CC2)[nH+]c1 ZINC000436773797 981556004 /nfs/dbraw/zinc/55/60/04/981556004.db2.gz TXABLXPOTUFTMP-UHFFFAOYSA-N 0 2 424.726 3.910 20 0 HHADLN CC(C)c1ccccc1N(C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000436785292 981560089 /nfs/dbraw/zinc/56/00/89/981560089.db2.gz UNHIMBBTYCBKQO-UHFFFAOYSA-N 0 2 402.516 3.577 20 0 HHADLN Cc1ccc(NC(=O)c2c(O)cc(Cl)cc2Cl)cc1C(=O)N1CCOCC1 ZINC000436813908 981573476 /nfs/dbraw/zinc/57/34/76/981573476.db2.gz GOKNTLFLJPWDIS-UHFFFAOYSA-N 0 2 409.269 3.732 20 0 HHADLN C[C@@H](NC(=O)c1cc(F)cc(Br)c1O)c1nc(Cc2ccccc2)no1 ZINC000436854765 981592916 /nfs/dbraw/zinc/59/29/16/981592916.db2.gz UEVPLYMKTYLDEV-SNVBAGLBSA-N 0 2 420.238 3.759 20 0 HHADLN COc1cc(CC2CN(C(=O)c3cc(F)cc(Br)c3O)C2)cc(OC)c1 ZINC000436856675 981594089 /nfs/dbraw/zinc/59/40/89/981594089.db2.gz YWXWVOHEENNOHB-UHFFFAOYSA-N 0 2 424.266 3.626 20 0 HHADLN C[C@@H](c1cccc(NC(=O)c2cc(F)cc(Br)c2[O-])c1)[NH+]1CCOCC1 ZINC000436857364 981594836 /nfs/dbraw/zinc/59/48/36/981594836.db2.gz KHWBCUZGOBQKTO-LBPRGKRZSA-N 0 2 423.282 3.939 20 0 HHADLN C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436924621 981627130 /nfs/dbraw/zinc/62/71/30/981627130.db2.gz DCLAYCSZOAUWCW-FOIQADDNSA-N 0 2 400.906 3.648 20 0 HHADLN CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436962768 981650196 /nfs/dbraw/zinc/65/01/96/981650196.db2.gz BECPSPXHXVYSHI-XOBRGWDASA-N 0 2 403.473 3.747 20 0 HHADLN CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436962768 981650199 /nfs/dbraw/zinc/65/01/99/981650199.db2.gz BECPSPXHXVYSHI-XOBRGWDASA-N 0 2 403.473 3.747 20 0 HHADLN CCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc(F)c(O)c(F)c2)c1 ZINC000436964363 981651907 /nfs/dbraw/zinc/65/19/07/981651907.db2.gz GIQZEHORVZMSIS-LBPRGKRZSA-N 0 2 412.458 3.531 20 0 HHADLN CCCN(C(=O)c1cccs1)C1CCN(C(=O)c2cc(F)c(O)c(F)c2)CC1 ZINC000436970484 981656008 /nfs/dbraw/zinc/65/60/08/981656008.db2.gz LTMBMYIXTWGNGW-UHFFFAOYSA-N 0 2 408.470 3.889 20 0 HHADLN C[C@H]1CCCN(Cc2csc(NS(=O)(=O)c3cnc4ccsc4c3)n2)C1 ZINC000437165551 981816801 /nfs/dbraw/zinc/81/68/01/981816801.db2.gz NNWBFVMKZDYTEY-LBPRGKRZSA-N 0 2 408.574 3.786 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)c(C)c1 ZINC000437174132 981830219 /nfs/dbraw/zinc/83/02/19/981830219.db2.gz WMABFLDNJFLVHS-UHFFFAOYSA-N 0 2 409.920 3.900 20 0 HHADLN CCCCc1nnc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)s1 ZINC000437188262 981844278 /nfs/dbraw/zinc/84/42/78/981844278.db2.gz ZHTAAHLNYGJIHA-UHFFFAOYSA-N 0 2 411.940 3.829 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)s2)c(C)c1C ZINC000437193451 981850534 /nfs/dbraw/zinc/85/05/34/981850534.db2.gz IACNOYXQNDHQTQ-UHFFFAOYSA-N 0 2 407.492 3.694 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1C ZINC000437301671 981953543 /nfs/dbraw/zinc/95/35/43/981953543.db2.gz CXTUBOZKRQSLAY-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN Cc1cccc(Cn2nccc2NS(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000437311505 981963585 /nfs/dbraw/zinc/96/35/85/981963585.db2.gz ZYRFRGNASUOWOW-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccccc2)s1)c1cnn(-c2ccccc2F)c1 ZINC000437312546 981964632 /nfs/dbraw/zinc/96/46/32/981964632.db2.gz BCURNESFGWMEGE-UHFFFAOYSA-N 0 2 400.460 3.936 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)cc1Cl ZINC000437319012 981970400 /nfs/dbraw/zinc/97/04/00/981970400.db2.gz CHTNRHQRBFZEBV-UHFFFAOYSA-N 0 2 405.904 3.992 20 0 HHADLN CC(C)(C)c1nc2ccc(S(=O)(=O)Nc3ccnn3C[C@H]3CCOC3)cc2s1 ZINC000437324053 981974775 /nfs/dbraw/zinc/97/47/75/981974775.db2.gz ICBRFJJYNXITRX-CYBMUJFWSA-N 0 2 420.560 3.628 20 0 HHADLN CC(C)n1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cn1 ZINC000437332357 981983315 /nfs/dbraw/zinc/98/33/15/981983315.db2.gz MEMQRUGUIFRBQH-UHFFFAOYSA-N 0 2 402.442 3.884 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)CCCCCC2)c1cnn(-c2ccccc2F)c1 ZINC000437387390 982032487 /nfs/dbraw/zinc/03/24/87/982032487.db2.gz HXWMRFSNZZBIKJ-UHFFFAOYSA-N 0 2 406.508 3.928 20 0 HHADLN CC(C)c1cccc(S(=O)(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)c1 ZINC000437394085 982038745 /nfs/dbraw/zinc/03/87/45/982038745.db2.gz LOTNFWVAEUFBLJ-HUUCEWRRSA-N 0 2 409.577 3.677 20 0 HHADLN C[C@@H]1CCCN(Cc2csc(NS(=O)(=O)c3cc(F)c(F)c(F)c3)n2)C1 ZINC000437414522 982056897 /nfs/dbraw/zinc/05/68/97/982056897.db2.gz UCBNHFZTMOLRNT-SNVBAGLBSA-N 0 2 405.467 3.593 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1Nc1ccc(F)cc1F)c1cnc2n1CCC2 ZINC000437675176 982289515 /nfs/dbraw/zinc/28/95/15/982289515.db2.gz NZRMYZDUCJUUAF-UHFFFAOYSA-N 0 2 408.405 3.791 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccnc1-c1csc(C)c1 ZINC000437681992 982294346 /nfs/dbraw/zinc/29/43/46/982294346.db2.gz ZFKIINITPXCTNT-UHFFFAOYSA-N 0 2 406.485 3.916 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2C)nc1C(F)(F)F ZINC000460526700 982313881 /nfs/dbraw/zinc/31/38/81/982313881.db2.gz QZIUUVNLYOLDJP-UHFFFAOYSA-N 0 2 408.423 3.756 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2ncccc2C(=O)c2ccc(F)cc2)cc1 ZINC000460577475 982361158 /nfs/dbraw/zinc/36/11/58/982361158.db2.gz PYEKFDAMLIAAND-UHFFFAOYSA-N 0 2 400.431 3.651 20 0 HHADLN CC(C)(C)c1csc(NS(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)n1 ZINC000437918414 982462627 /nfs/dbraw/zinc/46/26/27/982462627.db2.gz WEVKFBOATPUXSS-UHFFFAOYSA-N 0 2 416.528 3.889 20 0 HHADLN C[C@@H](CNC(=O)N=c1nc(C(C)(C)C)[nH]s1)Oc1ccc(Br)cc1 ZINC000438001606 982517222 /nfs/dbraw/zinc/51/72/22/982517222.db2.gz RTKZZWSXLLAEKR-JTQLQIEISA-N 0 2 413.341 3.609 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1CCc2sc(Cl)cc21 ZINC000460887131 982625380 /nfs/dbraw/zinc/62/53/80/982625380.db2.gz YOWPOQFBBUERSW-CYBMUJFWSA-N 0 2 403.895 3.585 20 0 HHADLN O=C(N[C@@H]1c2ccccc2CC12CCOCC2)C1=NN(c2ccc(F)cc2)CC1=O ZINC000461034490 982736075 /nfs/dbraw/zinc/73/60/75/982736075.db2.gz UCBAOFKJUHWBAB-OAQYLSRUSA-N 0 2 407.445 3.541 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(OCc4ccccn4)cc3)s[nH]2)c1 ZINC000461081022 982777224 /nfs/dbraw/zinc/77/72/24/982777224.db2.gz FHTJUYBDGDHBER-UHFFFAOYSA-N 0 2 418.478 3.862 20 0 HHADLN Cc1occc1-c1cc(NS(=O)(=O)CCc2ccccc2Br)no1 ZINC000461111246 982799909 /nfs/dbraw/zinc/79/99/09/982799909.db2.gz JLGUHADIHOLXKV-UHFFFAOYSA-N 0 2 411.277 3.990 20 0 HHADLN CCOC(=O)c1ccc(F)c(C)c1NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000461111629 982801062 /nfs/dbraw/zinc/80/10/62/982801062.db2.gz ZWFNVGQUNOROSC-UHFFFAOYSA-N 0 2 407.463 3.950 20 0 HHADLN Cc1nn(C)c2cc(NS(=O)(=O)c3cnn(-c4ccc(Cl)cc4)c3C)ccc12 ZINC000461340541 983028335 /nfs/dbraw/zinc/02/83/35/983028335.db2.gz HVSIOQCIJIARSV-UHFFFAOYSA-N 0 2 415.906 3.830 20 0 HHADLN Cn1cc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)c(C2CC2)n1 ZINC000461345291 983030733 /nfs/dbraw/zinc/03/07/33/983030733.db2.gz QDAKJNHOOHQGMF-UHFFFAOYSA-N 0 2 408.680 3.653 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(OC(C)C)c(C)c2)cn1 ZINC000438777307 983064995 /nfs/dbraw/zinc/06/49/95/983064995.db2.gz KCQQNWOQEFLKSQ-UHFFFAOYSA-N 0 2 401.488 3.777 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2O[C@H](C)c2ccccc2)c[nH]1 ZINC000438776864 983065050 /nfs/dbraw/zinc/06/50/50/983065050.db2.gz JILHTROVWOPMQC-CQSZACIVSA-N 0 2 400.456 3.742 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(F)c(Br)c2)n(Cc2ccccc2)n1 ZINC000438795333 983075509 /nfs/dbraw/zinc/07/55/09/983075509.db2.gz OVQOILKXWAWLRV-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN O=C(NCc1cccc(C(=O)NC2CC2)c1)c1cc(Cl)cc(Br)c1O ZINC000438944479 983170286 /nfs/dbraw/zinc/17/02/86/983170286.db2.gz YAKHJTDQVICNAV-UHFFFAOYSA-N 0 2 423.694 3.630 20 0 HHADLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)sc1C(C)=O ZINC000439002865 983204149 /nfs/dbraw/zinc/20/41/49/983204149.db2.gz RDFSLXXRCMILKJ-UHFFFAOYSA-N 0 2 423.299 3.630 20 0 HHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)s1 ZINC000439050513 983227869 /nfs/dbraw/zinc/22/78/69/983227869.db2.gz MYJBVDTVWVPGKC-HNNXBMFYSA-N 0 2 408.545 3.964 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC(c4nncn4C(C)C)CC3)=N2)cc1 ZINC000439205795 983310614 /nfs/dbraw/zinc/31/06/14/983310614.db2.gz AWDFDQYOVOWWNY-UHFFFAOYSA-N 0 2 422.533 3.894 20 0 HHADLN O=C(Cn1ccc2ccccc21)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439252346 983332544 /nfs/dbraw/zinc/33/25/44/983332544.db2.gz YNPPBHOKBXDUDC-UHFFFAOYSA-N 0 2 414.238 3.967 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NC1CCN(c2nccs2)CC1 ZINC000439372357 983383449 /nfs/dbraw/zinc/38/34/49/983383449.db2.gz ODDAJWBSDSBMTH-UHFFFAOYSA-N 0 2 420.951 3.527 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1cnc2ccsc2c1 ZINC000439566107 983452680 /nfs/dbraw/zinc/45/26/80/983452680.db2.gz DOHSSQUZCDCMRN-ZDUSSCGKSA-N 0 2 408.476 3.794 20 0 HHADLN CC(C)c1nnc2n1CCN(C(=O)C1=NN(c3ccc(C(C)C)cc3)CC1=O)[C@@H]2C ZINC000439870075 983562804 /nfs/dbraw/zinc/56/28/04/983562804.db2.gz KYRNQGKBLCJTPE-OAHLLOKOSA-N 0 2 408.506 3.633 20 0 HHADLN Cc1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000439887646 983571046 /nfs/dbraw/zinc/57/10/46/983571046.db2.gz KPIVGTGFQWTLLB-UHFFFAOYSA-N 0 2 404.451 3.700 20 0 HHADLN Cc1ccc(C(=O)NCC(F)(F)F)cc1NS(=O)(=O)c1cc(C)c(F)cc1F ZINC000440283653 983706217 /nfs/dbraw/zinc/70/62/17/983706217.db2.gz PDOUCNVZDIYRTR-UHFFFAOYSA-N 0 2 422.375 3.675 20 0 HHADLN CCc1cc(=O)[nH]c(-c2cccc(NS(=O)(=O)c3cc(C)c(F)cc3F)c2)n1 ZINC000440295937 983709637 /nfs/dbraw/zinc/70/96/37/983709637.db2.gz XWIVVIUDAVSVSQ-UHFFFAOYSA-N 0 2 405.426 3.799 20 0 HHADLN CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(CCC(F)(F)F)cc2)s1 ZINC000440294739 983709686 /nfs/dbraw/zinc/70/96/86/983709686.db2.gz LQAUHUUXWSPKQP-UHFFFAOYSA-N 0 2 420.478 3.722 20 0 HHADLN CS(=O)(=O)Nc1ccccc1NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440307312 983713680 /nfs/dbraw/zinc/71/36/80/983713680.db2.gz XPOVLCUMLHJJIW-UHFFFAOYSA-N 0 2 410.904 3.666 20 0 HHADLN CCCSc1nc(=NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)s[n-]1 ZINC000442213841 984732461 /nfs/dbraw/zinc/73/24/61/984732461.db2.gz LSFPUHPSCMPCSJ-MRXNPFEDSA-N 0 2 416.576 3.838 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccccc2Cc2ccccc2)cnn1-c1ccccn1 ZINC000462080652 985052313 /nfs/dbraw/zinc/05/23/13/985052313.db2.gz WTFSAEOVEVHAAO-UHFFFAOYSA-N 0 2 404.495 3.967 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cn2)cn1 ZINC000442598920 985083159 /nfs/dbraw/zinc/08/31/59/985083159.db2.gz PGQSSSIVMRBHHK-UHFFFAOYSA-N 0 2 409.389 3.972 20 0 HHADLN CSC[C@H](C)C(=O)N1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2O)CC1 ZINC000442706274 985176525 /nfs/dbraw/zinc/17/65/25/985176525.db2.gz DAIIGRGVHODCSF-JTQLQIEISA-N 0 2 405.347 3.875 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c(OC)c1 ZINC000442830800 985234181 /nfs/dbraw/zinc/23/41/81/985234181.db2.gz RHIGJPZQDFZGTH-UHFFFAOYSA-N 0 2 423.796 3.955 20 0 HHADLN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(S(=O)(=O)C(C)(C)C)cc2)c1 ZINC000442857702 985247880 /nfs/dbraw/zinc/24/78/80/985247880.db2.gz UGBPDNSXWSVKFQ-UHFFFAOYSA-N 0 2 418.540 3.916 20 0 HHADLN COCCCN1Cc2cccc(NS(=O)(=O)c3cccc4cc(C)cnc43)c2C1 ZINC000462379561 985362953 /nfs/dbraw/zinc/36/29/53/985362953.db2.gz XDVWZDYSABGGQO-UHFFFAOYSA-N 0 2 411.527 3.696 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)c(OC)c1 ZINC000443142641 985404196 /nfs/dbraw/zinc/40/41/96/985404196.db2.gz IGYCKVHLABXQOV-UHFFFAOYSA-N 0 2 412.876 3.546 20 0 HHADLN Cc1ccc2oc(-c3nnc(NS(=O)(=O)c4ccc5c(c4)C[C@H](C)O5)o3)cc2c1 ZINC000443159669 985416615 /nfs/dbraw/zinc/41/66/15/985416615.db2.gz MBRATHLTHAMIQQ-LBPRGKRZSA-N 0 2 411.439 3.915 20 0 HHADLN C[C@@H]1CN(c2ccccc2NS(=O)(=O)c2cnccc2C(F)(F)F)C[C@@H](C)O1 ZINC000443162168 985418330 /nfs/dbraw/zinc/41/83/30/985418330.db2.gz YCRVAYZOJUUCQG-CHWSQXEVSA-N 0 2 415.437 3.515 20 0 HHADLN COC(=O)COc1ccc(NS(=O)(=O)c2cc(C)c(F)cc2F)c2ccccc12 ZINC000467927906 985561707 /nfs/dbraw/zinc/56/17/07/985561707.db2.gz RTZZPYKJQVKJJH-UHFFFAOYSA-N 0 2 421.421 3.779 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2cc(C3CCC3)nn2-c2ccccc2)c1 ZINC000443418425 985575631 /nfs/dbraw/zinc/57/56/31/985575631.db2.gz NNFMSQIHMGNPII-UHFFFAOYSA-N 0 2 413.499 3.958 20 0 HHADLN COCCc1ccc(S(=O)(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)cc1 ZINC000443422821 985580032 /nfs/dbraw/zinc/58/00/32/985580032.db2.gz OMFVRKCIGZYSCR-UHFFFAOYSA-N 0 2 411.527 3.815 20 0 HHADLN CCC(C)(C)OCc1cccc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1C ZINC000443452531 985620235 /nfs/dbraw/zinc/62/02/35/985620235.db2.gz JKYQIBNYOZEWJJ-KRWDZBQOSA-N 0 2 407.536 3.659 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC(F)(F)C3)cc2)nc(C)n1 ZINC000443465492 985639676 /nfs/dbraw/zinc/63/96/76/985639676.db2.gz HSHJSJMSKAKWLR-CQSZACIVSA-N 0 2 424.473 3.658 20 0 HHADLN Cc1ccc(SCC(F)(F)F)c(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1 ZINC000443469630 985644261 /nfs/dbraw/zinc/64/42/61/985644261.db2.gz XNBMQUSYKGEIOR-GFCCVEGCSA-N 0 2 421.466 3.608 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1(Cc2ccccc2)CC1 ZINC000443576730 985751990 /nfs/dbraw/zinc/75/19/90/985751990.db2.gz BZJVYBDXZXNUCH-UHFFFAOYSA-N 0 2 413.524 3.905 20 0 HHADLN C[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccc(F)c(F)c1 ZINC000443586682 985761779 /nfs/dbraw/zinc/76/17/79/985761779.db2.gz ADOKMEDREQNOSN-NSHDSACASA-N 0 2 423.466 3.964 20 0 HHADLN C[C@@H](Cc1ccccc1F)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443589637 985766348 /nfs/dbraw/zinc/76/63/48/985766348.db2.gz LPFQJXUNZXYRMY-ZDUSSCGKSA-N 0 2 419.503 3.900 20 0 HHADLN Cc1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c(C)n1C1CC1 ZINC000443592232 985766842 /nfs/dbraw/zinc/76/68/42/985766842.db2.gz NDLCZLZSNUJENW-UHFFFAOYSA-N 0 2 416.528 3.949 20 0 HHADLN CN(CCc1cccc(Br)c1)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000462852893 985777292 /nfs/dbraw/zinc/77/72/92/985777292.db2.gz ORZZTUPTFQTKNK-UHFFFAOYSA-N 0 2 400.276 3.655 20 0 HHADLN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)C1 ZINC000468140401 985807740 /nfs/dbraw/zinc/80/77/40/985807740.db2.gz OUPDEBCCMGXGSN-KRWDZBQOSA-N 0 2 413.518 3.895 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1O ZINC000468347878 986044169 /nfs/dbraw/zinc/04/41/69/986044169.db2.gz IPYKPVJWBWLYON-SNVBAGLBSA-N 0 2 406.287 3.914 20 0 HHADLN Brc1ccc2nc(C[N@@H+]3CCC[C@H](c4nc(C5CC5)n[nH]4)C3)oc2c1 ZINC000463150945 986121247 /nfs/dbraw/zinc/12/12/47/986121247.db2.gz NSJNTTHQUHZBRL-LBPRGKRZSA-N 0 2 402.296 3.965 20 0 HHADLN C[C@H](NC(=O)c1cccs1)C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463166394 986138607 /nfs/dbraw/zinc/13/86/07/986138607.db2.gz BMSSQKLBVWDPFR-QMMMGPOBSA-N 0 2 410.286 3.597 20 0 HHADLN CC(C)C[C@H]1C[C@@H](C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)CC(=O)N1 ZINC000463170688 986142386 /nfs/dbraw/zinc/14/23/86/986142386.db2.gz LFJUIYGPZALSHY-PWSUYJOCSA-N 0 2 410.305 3.658 20 0 HHADLN Cn1c2ccc([N-]S(=O)(=O)c3cnc(-c4ccccc4)nc3)cc2[nH+]c1C1CC1 ZINC000444050293 986248897 /nfs/dbraw/zinc/24/88/97/986248897.db2.gz OFUUKUJBDLUHKM-UHFFFAOYSA-N 0 2 405.483 3.709 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)cc1Br ZINC000444051900 986250627 /nfs/dbraw/zinc/25/06/27/986250627.db2.gz OZYPZHFGVHUIMO-UHFFFAOYSA-N 0 2 416.322 3.542 20 0 HHADLN CCCc1cnc(NS(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)s1 ZINC000444051362 986251130 /nfs/dbraw/zinc/25/11/30/986251130.db2.gz SQQBVOGXNXJNOQ-UHFFFAOYSA-N 0 2 418.338 3.617 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3sc(C)cc3Br)o2)c(C)o1 ZINC000444053109 986252058 /nfs/dbraw/zinc/25/20/58/986252058.db2.gz ARMMLMRLKKPQTI-UHFFFAOYSA-N 0 2 418.294 3.880 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc(C)cc(Br)c2)n(Cc2ccccn2)n1 ZINC000444053234 986252476 /nfs/dbraw/zinc/25/24/76/986252476.db2.gz URPJTJALRXCKFI-UHFFFAOYSA-N 0 2 421.320 3.507 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccc2)o1)c1cc(Br)ccc1Cl ZINC000444063647 986265979 /nfs/dbraw/zinc/26/59/79/986265979.db2.gz RJRMIUXTOFLMBQ-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3)o2)c(C)o1 ZINC000444065030 986268310 /nfs/dbraw/zinc/26/83/10/986268310.db2.gz MUYTWGQKVSKLMM-UHFFFAOYSA-N 0 2 403.338 3.646 20 0 HHADLN C[C@H]1C(=O)CC[C@H](C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1(C)C ZINC000444102540 986301231 /nfs/dbraw/zinc/30/12/31/986301231.db2.gz FDFWUVWCEWAFFG-SWLSCSKDSA-N 0 2 421.544 3.524 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@H](C[S@](C)=O)c3ccccc3)=N2)cc1 ZINC000468610645 986324667 /nfs/dbraw/zinc/32/46/67/986324667.db2.gz ZFOZFTZLAMJDLM-XBBWARJSSA-N 0 2 411.527 3.551 20 0 HHADLN COCCCN(Cc1ccncc1)C(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC000468613798 986328863 /nfs/dbraw/zinc/32/88/63/986328863.db2.gz XZBNPYFVLQXLFN-UHFFFAOYSA-N 0 2 408.502 3.775 20 0 HHADLN COc1ccc(-c2nsc(NS(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1F ZINC000444210792 986392753 /nfs/dbraw/zinc/39/27/53/986392753.db2.gz ILQJHTWOVZVBFI-UHFFFAOYSA-N 0 2 407.492 3.699 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C)=N1 ZINC000468698860 986412083 /nfs/dbraw/zinc/41/20/83/986412083.db2.gz COIBBWNOHKQNJJ-IBGZPJMESA-N 0 2 419.460 3.889 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCO[C@H](c3cccc(Cl)c3)C2)=N1 ZINC000468822740 986532334 /nfs/dbraw/zinc/53/23/34/986532334.db2.gz DEWBYWIOHZLGIK-IBGZPJMESA-N 0 2 415.852 3.893 20 0 HHADLN Cc1cn(-c2c(F)cccc2F)nc1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000468827865 986537778 /nfs/dbraw/zinc/53/77/78/986537778.db2.gz DIBGPQLSRJGWGV-UHFFFAOYSA-N 0 2 403.439 3.713 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NCC3CCN(CC(F)(F)F)CC3)=N2)cc1 ZINC000444407200 986588690 /nfs/dbraw/zinc/58/86/90/986588690.db2.gz CIKDLPFYSCDPSI-UHFFFAOYSA-N 0 2 424.467 3.705 20 0 HHADLN CC(=O)N1CCN(Cc2cccc(NC(=O)c3c(O)cc(Cl)cc3Cl)c2)CC1 ZINC000444418416 986600158 /nfs/dbraw/zinc/60/01/58/986600158.db2.gz UQNBWSAQYVJKEL-UHFFFAOYSA-N 0 2 422.312 3.615 20 0 HHADLN CN1C(=O)Cc2cc(NC(=O)c3[nH]nc(-c4ccccc4)c3Br)ccc21 ZINC000468908718 986615327 /nfs/dbraw/zinc/61/53/27/986615327.db2.gz IWEQHHITUBBNRL-UHFFFAOYSA-N 0 2 411.259 3.610 20 0 HHADLN Cc1ccc(CS(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1F ZINC000468961067 986663969 /nfs/dbraw/zinc/66/39/69/986663969.db2.gz NVAYDYHUPKDIIT-SFHVURJKSA-N 0 2 400.479 3.586 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000468979252 986684384 /nfs/dbraw/zinc/68/43/84/986684384.db2.gz MWJJKMYRFWLGRH-UHFFFAOYSA-N 0 2 402.513 3.697 20 0 HHADLN CC[C@@H](C)[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(F)(F)F ZINC000444537706 986726662 /nfs/dbraw/zinc/72/66/62/986726662.db2.gz AUTUQCKLZQQZLP-MFKMUULPSA-N 0 2 421.466 3.651 20 0 HHADLN CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000444546671 986736390 /nfs/dbraw/zinc/73/63/90/986736390.db2.gz LZYYBHYXJYTSGN-UHFFFAOYSA-N 0 2 406.429 3.937 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccc(OCC)c3cccnc23)c1C ZINC000463785855 986776078 /nfs/dbraw/zinc/77/60/78/986776078.db2.gz XNVXIMBNLVJCFD-UHFFFAOYSA-N 0 2 417.487 3.556 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)c2ncccc12 ZINC000463788887 986780790 /nfs/dbraw/zinc/78/07/90/986780790.db2.gz SYMUMHGGIIMTJX-UHFFFAOYSA-N 0 2 420.874 3.874 20 0 HHADLN COCCc1nsc(Oc2ccc(NS(=O)(=O)c3ccc(C)s3)cc2)n1 ZINC000444830165 986987468 /nfs/dbraw/zinc/98/74/68/986987468.db2.gz UOWHKFDCXRCZNR-UHFFFAOYSA-N 0 2 411.530 3.690 20 0 HHADLN CC(C)[C@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000444878679 987030812 /nfs/dbraw/zinc/03/08/12/987030812.db2.gz VIMWSAMPKYUIOU-AWEZNQCLSA-N 0 2 408.549 3.844 20 0 HHADLN CC[C@H](c1n[n-]c(=NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)s1)c1ccccc1 ZINC000444888576 987038866 /nfs/dbraw/zinc/03/88/66/987038866.db2.gz KLILCVAPDPXHTJ-IRXDYDNUSA-N 0 2 410.547 3.647 20 0 HHADLN NC(=O)[C@H]1CCC[C@@H](C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)C1 ZINC000469378191 987074468 /nfs/dbraw/zinc/07/44/68/987074468.db2.gz BWYRXOJOYQFHLI-GOEBONIOSA-N 0 2 422.510 3.650 20 0 HHADLN CCCCc1nnc(NS(=O)(=O)c2ccc(OCC)c(Br)c2)s1 ZINC000469981344 987597779 /nfs/dbraw/zinc/59/77/79/987597779.db2.gz HXMOPEUCGBKSHI-UHFFFAOYSA-N 0 2 420.354 3.843 20 0 HHADLN Cc1ccccc1CS(=O)(=O)Nc1ccccc1S(=O)(=O)Nc1ccccc1 ZINC000464426211 988598153 /nfs/dbraw/zinc/59/81/53/988598153.db2.gz MPCMANAIZUGUCZ-UHFFFAOYSA-N 0 2 416.524 3.738 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2C[C@@H](c3ccsc3)O[C@@H](C)C2)=N1 ZINC000470756839 988798593 /nfs/dbraw/zinc/79/85/93/988798593.db2.gz QDWSCIYGGLINIO-UGSOOPFHSA-N 0 2 401.463 3.689 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN(C)Cc4cccc(C)n4)nc(=O)c3s2)cc1 ZINC000471193250 989329080 /nfs/dbraw/zinc/32/90/80/989329080.db2.gz CJWAOCALIWSWJA-UHFFFAOYSA-N 0 2 406.511 3.996 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1cccc(OC(F)(F)F)c1 ZINC000471500408 989698249 /nfs/dbraw/zinc/69/82/49/989698249.db2.gz LSJSXAMRUOPZIJ-UHFFFAOYSA-N 0 2 407.420 3.966 20 0 HHADLN CC(=O)c1ccc(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cc1 ZINC000471500833 989698339 /nfs/dbraw/zinc/69/83/39/989698339.db2.gz UWAJDLOMIALRAK-UHFFFAOYSA-N 0 2 401.513 3.867 20 0 HHADLN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1nnc(-c2ccco2)s1 ZINC000471506518 989704944 /nfs/dbraw/zinc/70/49/44/989704944.db2.gz ULLKTDOZYBBKHF-UHFFFAOYSA-N 0 2 414.306 3.978 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3cc(C)c(F)cc3F)s2)c1 ZINC000471508166 989706467 /nfs/dbraw/zinc/70/64/67/989706467.db2.gz QXMWYHSUAYESCC-UHFFFAOYSA-N 0 2 411.455 3.525 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2ccc3c(c2)COC3)s1)c1ccccc1 ZINC000471518053 989717469 /nfs/dbraw/zinc/71/74/69/989717469.db2.gz LKVIAMDMSYGYBJ-KRWDZBQOSA-N 0 2 401.513 3.911 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3nnc(-c4ccsc4)s3)cc2F)c1 ZINC000471521585 989721035 /nfs/dbraw/zinc/72/10/35/989721035.db2.gz GZZATNKRBVPHKC-UHFFFAOYSA-N 0 2 421.504 3.701 20 0 HHADLN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc3c(cc(C)cc3C)s2)c1 ZINC000471523370 989723185 /nfs/dbraw/zinc/72/31/85/989723185.db2.gz QHJXWNONBPMCPQ-UHFFFAOYSA-N 0 2 410.542 3.508 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)cc1-n1cccn1)c1ccc(C(F)(F)F)nc1 ZINC000471570678 989772596 /nfs/dbraw/zinc/77/25/96/989772596.db2.gz NZLKRNMMCLDXCO-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN CCC1(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)CCCC1 ZINC000465454737 989794530 /nfs/dbraw/zinc/79/45/30/989794530.db2.gz XFHKNVBPZKTSTE-UHFFFAOYSA-N 0 2 402.520 3.803 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 ZINC000471899727 990070150 /nfs/dbraw/zinc/07/01/50/990070150.db2.gz OINFAPWVVYXLOS-UHFFFAOYSA-N 0 2 416.450 3.770 20 0 HHADLN Cc1ccc(Cn2nccc2NS(=O)(=O)c2ccc(Br)cc2C)o1 ZINC000471903886 990073694 /nfs/dbraw/zinc/07/36/94/990073694.db2.gz XXLLMWPPEAATHJ-UHFFFAOYSA-N 0 2 410.293 3.705 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1cc(-c2ccccc2OC)nn1-c1ccccc1 ZINC000471912731 990080462 /nfs/dbraw/zinc/08/04/62/990080462.db2.gz WSKPFJOIAPKYBX-UHFFFAOYSA-N 0 2 423.498 3.565 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1cccc(OCc2ccccc2OC)c1C ZINC000471983579 990150733 /nfs/dbraw/zinc/15/07/33/990150733.db2.gz CAMLLWSAMUOBDT-UHFFFAOYSA-N 0 2 401.488 3.600 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2cc(F)c(Br)cc2C)c1 ZINC000471993767 990161211 /nfs/dbraw/zinc/16/12/11/990161211.db2.gz XALPGJBUELYJNL-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000465879575 990997518 /nfs/dbraw/zinc/99/75/18/990997518.db2.gz UNDLLBHCDAEKNA-OAQYLSRUSA-N 0 2 417.985 3.979 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000466349699 991610243 /nfs/dbraw/zinc/61/02/43/991610243.db2.gz JNRVJXRBCPGHLH-UHFFFAOYSA-N 0 2 406.460 3.845 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3ccnn3-c3ccccc3C)cc2F)c1 ZINC000466378299 991660215 /nfs/dbraw/zinc/66/02/15/991660215.db2.gz KRUUFYPBOFFPEJ-UHFFFAOYSA-N 0 2 411.462 3.615 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3ccnn3[C@H](C)CC(C)C)cc2F)c1 ZINC000466382393 991670097 /nfs/dbraw/zinc/67/00/97/991670097.db2.gz GICURNOGVQQYKF-OAHLLOKOSA-N 0 2 405.499 3.924 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000466385129 991672840 /nfs/dbraw/zinc/67/28/40/991672840.db2.gz AGOXNITXQDEFJT-UHFFFAOYSA-N 0 2 424.450 3.600 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2cnn(-c3ccc(C)cc3C)c2)cc1OC ZINC000466428257 991717191 /nfs/dbraw/zinc/71/71/91/991717191.db2.gz KHLGKXDICAKDPL-UHFFFAOYSA-N 0 2 401.488 3.616 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cnn1-c1ccccc1 ZINC000466477988 991769509 /nfs/dbraw/zinc/76/95/09/991769509.db2.gz VFHHJCGUBXAWAT-OAHLLOKOSA-N 0 2 424.526 3.533 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CCCc3sccc32)c(F)c1Cl ZINC000466530417 991829368 /nfs/dbraw/zinc/82/93/68/991829368.db2.gz NLEMKAMBUUTZOP-NSHDSACASA-N 0 2 420.890 3.994 20 0 HHADLN CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc4cc(Cl)ccc4s3)ccc21 ZINC000467031422 992340216 /nfs/dbraw/zinc/34/02/16/992340216.db2.gz FWIIMXLVFXYWCQ-UHFFFAOYSA-N 0 2 409.876 3.678 20 0 HHADLN O=S(=O)(Nc1nc2ccsc2s1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000467033132 992342336 /nfs/dbraw/zinc/34/23/36/992342336.db2.gz AXEYXNQLPGWWHC-JTQLQIEISA-N 0 2 414.505 3.713 20 0 HHADLN CCOc1cc2c(cc1NC(=O)N(C)Cc1nc(=O)c3sccc3[nH]1)O[C@H](C)C2 ZINC000467108151 992417926 /nfs/dbraw/zinc/41/79/26/992417926.db2.gz ZHBOCBDMDSQURL-LLVKDONJSA-N 0 2 414.487 3.783 20 0 HHADLN Cc1cccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3CCCc4[nH]ncc43)ccc2C)c1 ZINC000467282924 992605095 /nfs/dbraw/zinc/60/50/95/992605095.db2.gz FGJIGKBAKBALDJ-GOSISDBHSA-N 0 2 424.526 3.886 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ncc(Cc3ccccc3F)s2)ccc1C ZINC000467443164 992739931 /nfs/dbraw/zinc/73/99/31/992739931.db2.gz JEKGBTXOXJQJTC-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)C1CCC(=O)CC1 ZINC000467526659 992803620 /nfs/dbraw/zinc/80/36/20/992803620.db2.gz DXHJWHGSOAVPKM-UHFFFAOYSA-N 0 2 424.881 3.978 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cc(CC(C)C)n[nH]2)cc1Br ZINC000472436429 993437809 /nfs/dbraw/zinc/43/78/09/993437809.db2.gz VDKHVKVFPIJBEH-UHFFFAOYSA-N 0 2 402.314 3.570 20 0 HHADLN Cc1ccc(CS(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c(F)c1 ZINC000480922712 993776023 /nfs/dbraw/zinc/77/60/23/993776023.db2.gz XVDBTNSNTMUVBQ-GOSISDBHSA-N 0 2 400.479 3.586 20 0 HHADLN COCCOC1CCC(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)CC1 ZINC000480932321 993782229 /nfs/dbraw/zinc/78/22/29/993782229.db2.gz INEGPNRJBRQRFH-UHFFFAOYSA-N 0 2 413.305 3.939 20 0 HHADLN Cc1ccc(-n2cccn2)cc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000473440075 994289008 /nfs/dbraw/zinc/28/90/08/994289008.db2.gz GLMWWQDLRDLVBZ-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN Cc1ccc([C@@H]2COCCN2C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)o1 ZINC000481476007 994309693 /nfs/dbraw/zinc/30/96/93/994309693.db2.gz FBFJTDMLKSVGAF-AWEZNQCLSA-N 0 2 404.879 3.787 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCO[C@@H](COc4ccccc4)C3)=N2)cc1 ZINC000481531144 994362527 /nfs/dbraw/zinc/36/25/27/994362527.db2.gz LIESCNVBWJTEQZ-OAQYLSRUSA-N 0 2 421.497 3.621 20 0 HHADLN COc1cc(OC)c(OC)cc1NS(=O)(=O)c1cc(Br)sc1C ZINC000481620495 994481471 /nfs/dbraw/zinc/48/14/71/994481471.db2.gz LYWQGKRFLPPXFB-UHFFFAOYSA-N 0 2 422.322 3.646 20 0 HHADLN Cc1ccc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1-c1ncco1 ZINC000473710254 994602473 /nfs/dbraw/zinc/60/24/73/994602473.db2.gz NPWNGCINYSGAJB-UHFFFAOYSA-N 0 2 404.430 3.669 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccn(-c2ccccc2Cl)n1 ZINC000473715946 994608554 /nfs/dbraw/zinc/60/85/54/994608554.db2.gz MHRNQHCIJNEVMI-UHFFFAOYSA-N 0 2 423.864 3.545 20 0 HHADLN Cc1cc(S(=O)(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)sc1Cl ZINC000473764730 994680456 /nfs/dbraw/zinc/68/04/56/994680456.db2.gz NBPSRGZYLAZDGM-LLVKDONJSA-N 0 2 401.863 3.642 20 0 HHADLN CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)c1 ZINC000473764959 994681544 /nfs/dbraw/zinc/68/15/44/994681544.db2.gz YDSHVBFJNJIAQG-UHFFFAOYSA-N 0 2 409.514 3.553 20 0 HHADLN Cc1cc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)nn1-c1ccc(C)cc1 ZINC000473781523 994704655 /nfs/dbraw/zinc/70/46/55/994704655.db2.gz FOVYGGFKCOUZIS-UHFFFAOYSA-N 0 2 417.473 3.508 20 0 HHADLN O=S(=O)(Nc1cc([C@@H]2CCCOC2)[nH]n1)c1ccc(OCc2ccccc2)cc1 ZINC000481850173 994706887 /nfs/dbraw/zinc/70/68/87/994706887.db2.gz UUVPYGDZCFUKCV-QGZVFWFLSA-N 0 2 413.499 3.684 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc3c(c2)OCO3)sc1Cc1cccc(F)c1 ZINC000481943051 994819191 /nfs/dbraw/zinc/81/91/91/994819191.db2.gz NGVUCQZACDPARS-UHFFFAOYSA-N 0 2 406.460 3.711 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc3c(c2)OCO3)sc1Cc1ccccc1F ZINC000481943008 994819672 /nfs/dbraw/zinc/81/96/72/994819672.db2.gz NAJXFHULQHCGJS-UHFFFAOYSA-N 0 2 406.460 3.711 20 0 HHADLN NC(=O)c1ccccc1Oc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000481959654 994844725 /nfs/dbraw/zinc/84/47/25/994844725.db2.gz BDZREYLQPBYFJC-UHFFFAOYSA-N 0 2 404.394 3.657 20 0 HHADLN C[C@@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc2c(c1)CCCC2 ZINC000473893196 994847219 /nfs/dbraw/zinc/84/72/19/994847219.db2.gz FOVZKYOQMYUXBU-MRXNPFEDSA-N 0 2 405.502 3.823 20 0 HHADLN Cc1c2ccccc2oc1[C@@H](C)NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473904917 994866053 /nfs/dbraw/zinc/86/60/53/994866053.db2.gz KWTRAXCVHYIRGZ-OAHLLOKOSA-N 0 2 405.458 3.999 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000473915455 994882508 /nfs/dbraw/zinc/88/25/08/994882508.db2.gz UGCUSANPZJNLAU-PMACEKPBSA-N 0 2 405.502 3.909 20 0 HHADLN CCOc1ccccc1[C@H](CC)NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473932028 994904258 /nfs/dbraw/zinc/90/42/58/994904258.db2.gz KFMOMQVJLJPWQJ-SFHVURJKSA-N 0 2 409.490 3.733 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000473951988 994930055 /nfs/dbraw/zinc/93/00/55/994930055.db2.gz VATJNPONEABFGW-PZJWPPBQSA-N 0 2 419.529 3.984 20 0 HHADLN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474073689 995059378 /nfs/dbraw/zinc/05/93/78/995059378.db2.gz IXYKLXWSXLDPTD-QGZVFWFLSA-N 0 2 405.502 3.894 20 0 HHADLN CCCCO[C@H]1C[C@H](N(C)C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1(C)C ZINC000474075192 995060308 /nfs/dbraw/zinc/06/03/08/995060308.db2.gz VLXAGCIFPFZQBD-ROUUACIJSA-N 0 2 415.538 3.509 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCC[C@H](c2ccccc2)CC1 ZINC000474082034 995066448 /nfs/dbraw/zinc/06/64/48/995066448.db2.gz KVIFWGZKTYHSSO-IBGZPJMESA-N 0 2 405.502 3.863 20 0 HHADLN CN(Cc1c(F)cccc1Cl)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474087508 995070067 /nfs/dbraw/zinc/07/00/67/995070067.db2.gz FODFGWCRPIUIMP-UHFFFAOYSA-N 0 2 403.845 3.518 20 0 HHADLN CC(C)CN(Cc1ccccc1F)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474088718 995071968 /nfs/dbraw/zinc/07/19/68/995071968.db2.gz JYOARTLIYZOGSI-UHFFFAOYSA-N 0 2 411.481 3.891 20 0 HHADLN Cc1ccc(SC[C@H](C)NC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000474091277 995073488 /nfs/dbraw/zinc/07/34/88/995073488.db2.gz WYSNEDMADOVBQL-INIZCTEOSA-N 0 2 411.531 3.672 20 0 HHADLN C[C@@H]1CCN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)[C@H]1c1cccc(F)c1 ZINC000474090856 995073559 /nfs/dbraw/zinc/07/35/59/995073559.db2.gz UVLDVTNUICTLKI-QVKFZJNVSA-N 0 2 409.465 3.816 20 0 HHADLN Cc1ccc(C[C@H]2CCCN2C(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000474094431 995076228 /nfs/dbraw/zinc/07/62/28/995076228.db2.gz IJDYIIXWPVXVDN-LJQANCHMSA-N 0 2 405.502 3.609 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)cc1F ZINC000474296909 995286765 /nfs/dbraw/zinc/28/67/65/995286765.db2.gz KBXRZCHOUPFKSW-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN COc1cc(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)ccc1NC(N)=O ZINC000474305934 995293966 /nfs/dbraw/zinc/29/39/66/995293966.db2.gz BIRXUVZSVXZJJJ-UHFFFAOYSA-N 0 2 423.800 3.659 20 0 HHADLN COc1cc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)ccc1NC(N)=O ZINC000474317255 995302242 /nfs/dbraw/zinc/30/22/42/995302242.db2.gz WUDKYRPAKBLFPF-UHFFFAOYSA-N 0 2 404.275 3.602 20 0 HHADLN O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2cc(C3CCCCCC3)n[nH]2)c1 ZINC000474432546 995394779 /nfs/dbraw/zinc/39/47/79/995394779.db2.gz LUNGEOYDLPMVKN-UHFFFAOYSA-N 0 2 402.520 3.541 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cc(Br)ccc1Cl ZINC000474571710 995534138 /nfs/dbraw/zinc/53/41/38/995534138.db2.gz AJLMIQHBWIWDBP-UHFFFAOYSA-N 0 2 421.682 3.730 20 0 HHADLN COc1ccc2sc(C(=O)NCc3nnc(COc4ccccc4)[nH]3)c(C)c2c1 ZINC000474585401 995543855 /nfs/dbraw/zinc/54/38/55/995543855.db2.gz LZHWZAPMXLUHNI-UHFFFAOYSA-N 0 2 408.483 3.845 20 0 HHADLN C[C@H](C(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc(Br)cc1 ZINC000474586940 995546270 /nfs/dbraw/zinc/54/62/70/995546270.db2.gz ZJNICMJRQRQACN-ZDUSSCGKSA-N 0 2 415.291 3.566 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000474592015 995550577 /nfs/dbraw/zinc/55/05/77/995550577.db2.gz DMHKCLRVWYDGEI-IAGOWNOFSA-N 0 2 416.403 3.822 20 0 HHADLN CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474594555 995552675 /nfs/dbraw/zinc/55/26/75/995552675.db2.gz VWDKQGRJBQKTAH-HXUWFJFHSA-N 0 2 414.893 3.757 20 0 HHADLN Cn1ncc2c1[nH]cc(C(=O)N1CCSC[C@H]1c1cccc(C(F)(F)F)c1)c2=O ZINC000474654561 995599662 /nfs/dbraw/zinc/59/96/62/995599662.db2.gz XCISCGQLSQRCJS-HNNXBMFYSA-N 0 2 422.432 3.623 20 0 HHADLN COc1ccccc1[C@H](CNC(=O)C1=NN(c2ccc(F)cc2)CC1=O)OC(C)C ZINC000474707563 995647623 /nfs/dbraw/zinc/64/76/23/995647623.db2.gz UUIKLKRUKMRLJW-FQEVSTJZSA-N 0 2 413.449 3.622 20 0 HHADLN CCc1ccnc(-c2noc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)c1 ZINC000482757764 995728233 /nfs/dbraw/zinc/72/82/33/995728233.db2.gz IORLANFWBBLKSZ-UHFFFAOYSA-N 0 2 413.484 3.618 20 0 HHADLN Cc1cc(C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)c(C)cc1Cl ZINC000475118395 995933838 /nfs/dbraw/zinc/93/38/38/995933838.db2.gz KERIXAGWDUTGLX-UHFFFAOYSA-N 0 2 422.919 3.861 20 0 HHADLN CCCS(=O)(=O)Nc1cccc(NS(=O)(=O)c2cc(F)c(C)cc2F)c1C ZINC000475749337 996347081 /nfs/dbraw/zinc/34/70/81/996347081.db2.gz NUERMTJGQSOMTL-UHFFFAOYSA-N 0 2 418.487 3.534 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3cc(F)cc(NCC(F)(F)F)c3)cc12 ZINC000475784696 996369837 /nfs/dbraw/zinc/36/98/37/996369837.db2.gz DAMPIPQLDOIXSI-UHFFFAOYSA-N 0 2 418.372 3.699 20 0 HHADLN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3c(C)[nH]nc3C(F)F)ccc2s1 ZINC000475795914 996376270 /nfs/dbraw/zinc/37/62/70/996376270.db2.gz WYKDTGDMBSRUHU-UHFFFAOYSA-N 0 2 415.443 3.848 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 ZINC000475826473 996396121 /nfs/dbraw/zinc/39/61/21/996396121.db2.gz CLQLLJINQFRDQM-UHFFFAOYSA-N 0 2 402.423 3.846 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(-c2cccnc2)ccc1C ZINC000475837481 996405579 /nfs/dbraw/zinc/40/55/79/996405579.db2.gz WVHMBAHQBKIMMX-UHFFFAOYSA-N 0 2 400.456 3.854 20 0 HHADLN CC(C)Cc1ncc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)cn1 ZINC000475837590 996405945 /nfs/dbraw/zinc/40/59/45/996405945.db2.gz WGJHSTZAWWVSSF-UHFFFAOYSA-N 0 2 404.717 3.892 20 0 HHADLN Cc1ccc(-c2ccc(C)c(NS(=O)(=O)c3ccccc3S(C)(=O)=O)c2)o1 ZINC000475841905 996409392 /nfs/dbraw/zinc/40/93/92/996409392.db2.gz XNVOXKURXZRSHU-UHFFFAOYSA-N 0 2 405.497 3.768 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2OC(C)C)cc1Cl ZINC000484058714 996546848 /nfs/dbraw/zinc/54/68/48/996546848.db2.gz BQDGSMKQHCDGLD-UHFFFAOYSA-N 0 2 401.843 3.854 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cc(F)c(C)cc2F)nc1C(C)(C)C ZINC000476103174 996598461 /nfs/dbraw/zinc/59/84/61/996598461.db2.gz MXYNULVQRHCNQH-UHFFFAOYSA-N 0 2 404.460 3.615 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(C)nc4onc(C(C)C)c43)s[nH]2)c1 ZINC000476355132 996777338 /nfs/dbraw/zinc/77/73/38/996777338.db2.gz TVANZSJZCMERNQ-UHFFFAOYSA-N 0 2 409.471 3.856 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(-n4ccnc4SC)cc3)s[nH]2)c1 ZINC000476361323 996791288 /nfs/dbraw/zinc/79/12/88/996791288.db2.gz FYCYHXKAHMRJMJ-UHFFFAOYSA-N 0 2 423.523 3.796 20 0 HHADLN CCOc1cc(F)ccc1NS(=O)(=O)c1cc(OC)ccc1Br ZINC000476403111 996861708 /nfs/dbraw/zinc/86/17/08/996861708.db2.gz UPYFPVPWOQQKSU-UHFFFAOYSA-N 0 2 404.257 3.796 20 0 HHADLN CC(C)Oc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000476408347 996868249 /nfs/dbraw/zinc/86/82/49/996868249.db2.gz IQBNXYPACFHRSD-UHFFFAOYSA-N 0 2 417.512 3.983 20 0 HHADLN CC(C)(CNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1 ZINC000476411555 996872863 /nfs/dbraw/zinc/87/28/63/996872863.db2.gz YULRWYIYNNBCIU-UHFFFAOYSA-N 0 2 415.540 3.652 20 0 HHADLN Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccccc1Sc1nncn1C ZINC000476437872 996908686 /nfs/dbraw/zinc/90/86/86/996908686.db2.gz VGNSAZXXEYTTBE-UHFFFAOYSA-N 0 2 411.512 3.624 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)o2)cc1 ZINC000476444720 996916898 /nfs/dbraw/zinc/91/68/98/996916898.db2.gz YGQYVKUHYDLQFH-UHFFFAOYSA-N 0 2 413.377 3.955 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3ccc(OC(C)C)cc3)o2)cc1 ZINC000476446506 996919399 /nfs/dbraw/zinc/91/93/99/996919399.db2.gz CPAQRPFCBWXWHO-UHFFFAOYSA-N 0 2 403.460 3.723 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000484694779 997033801 /nfs/dbraw/zinc/03/38/01/997033801.db2.gz PHSHRLQTGHJPIO-UHFFFAOYSA-N 0 2 413.286 3.521 20 0 HHADLN O=C(NC1(c2cccc(F)c2)CC1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476544643 997036868 /nfs/dbraw/zinc/03/68/68/997036868.db2.gz VUHLETGPRBMAIN-UHFFFAOYSA-N 0 2 417.487 3.502 20 0 HHADLN O=C(N[C@@H]1CSc2ccccc21)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476552397 997044860 /nfs/dbraw/zinc/04/48/60/997044860.db2.gz ZOTYDKZMQXIZNB-OAHLLOKOSA-N 0 2 417.537 3.521 20 0 HHADLN O=S(=O)(Cc1ccc(OCc2ccc(F)cc2)cc1)C[C@@H](O)Cc1ccccc1 ZINC000484710038 997048497 /nfs/dbraw/zinc/04/84/97/997048497.db2.gz SDKLEPFNKRSRAG-QFIPXVFZSA-N 0 2 414.498 3.923 20 0 HHADLN COc1cccc([C@H]2CN(C(=O)C3=NN(c4ccc(C(C)C)cc4)CC3=O)CCO2)c1 ZINC000484802847 997155406 /nfs/dbraw/zinc/15/54/06/997155406.db2.gz CVCHOGQLWUCOQQ-JOCHJYFZSA-N 0 2 421.497 3.924 20 0 HHADLN C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)[C@@H]1c1ccccc1 ZINC000476696133 997236379 /nfs/dbraw/zinc/23/63/79/997236379.db2.gz VMTZRFVONOVUBT-KDOFPFPSSA-N 0 2 413.524 3.777 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCCc2cc(F)ccc21 ZINC000476726797 997275461 /nfs/dbraw/zinc/27/54/61/997275461.db2.gz BOUGXZHKFFOOGG-UHFFFAOYSA-N 0 2 417.487 3.676 20 0 HHADLN CCN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1CCCC[C@H]1C ZINC000476750204 997305415 /nfs/dbraw/zinc/30/54/15/997305415.db2.gz WEXHVCPTQPJZNB-PBHICJAKSA-N 0 2 407.561 3.985 20 0 HHADLN C[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)cc1 ZINC000476764274 997321861 /nfs/dbraw/zinc/32/18/61/997321861.db2.gz OWCSCNWYQQAGEY-CYBMUJFWSA-N 0 2 419.503 3.617 20 0 HHADLN O=C(NCc1cccc(Cl)c1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485034678 997399138 /nfs/dbraw/zinc/39/91/38/997399138.db2.gz PAYCOSZJUJMWRK-UHFFFAOYSA-N 0 2 422.919 3.919 20 0 HHADLN CCC1(CC)CCC(NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)CC1 ZINC000476869316 997445293 /nfs/dbraw/zinc/44/52/93/997445293.db2.gz LXSOEEAYHIBYCN-UHFFFAOYSA-N 0 2 424.592 3.761 20 0 HHADLN Cc1ccc(-c2nsc(NS(=O)(=O)c3ccccc3OC(F)(F)F)n2)s1 ZINC000476875337 997452662 /nfs/dbraw/zinc/45/26/62/997452662.db2.gz SWMNBPCPROQAMJ-UHFFFAOYSA-N 0 2 421.447 3.696 20 0 HHADLN O=S(=O)(Nc1ccc(-c2ncon2)cc1)c1cc(Br)c(F)cc1F ZINC000485142352 997526351 /nfs/dbraw/zinc/52/63/51/997526351.db2.gz DLWJGCQRMBIYHU-UHFFFAOYSA-N 0 2 416.203 3.578 20 0 HHADLN O=C1CCCN1Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000485258456 997650430 /nfs/dbraw/zinc/65/04/30/997650430.db2.gz TZVINNMUNOZTME-UHFFFAOYSA-N 0 2 416.396 3.768 20 0 HHADLN C[C@H](Cc1cccs1)NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485357456 997781490 /nfs/dbraw/zinc/78/14/90/997781490.db2.gz LWEFNVSWNHQLKU-GFCCVEGCSA-N 0 2 422.557 3.758 20 0 HHADLN C[C@@H]1CCC[C@@H](CNC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000485361635 997786589 /nfs/dbraw/zinc/78/65/89/997786589.db2.gz KOBBBYFEDALCOU-ZIAGYGMSSA-N 0 2 408.549 3.892 20 0 HHADLN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3nc[nH]c3C(=O)c3ccccc3)c2)n1 ZINC000485370705 997796351 /nfs/dbraw/zinc/79/63/51/997796351.db2.gz NHMQOYZNODGVMY-UHFFFAOYSA-N 0 2 413.437 3.618 20 0 HHADLN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3[nH]cnc3C(=O)c3ccccc3)c2)n1 ZINC000485370705 997796365 /nfs/dbraw/zinc/79/63/65/997796365.db2.gz NHMQOYZNODGVMY-UHFFFAOYSA-N 0 2 413.437 3.618 20 0 HHADLN O=C(NCc1cc(F)cc(F)c1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485383729 997811496 /nfs/dbraw/zinc/81/14/96/997811496.db2.gz VDGQBDJGSVQHMT-UHFFFAOYSA-N 0 2 424.454 3.544 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2CS(C)(=O)=O)c1Cl ZINC000477162682 997825997 /nfs/dbraw/zinc/82/59/97/997825997.db2.gz OTSSEGSTWLOYRX-UHFFFAOYSA-N 0 2 408.328 3.647 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)c(OC)c(OC)c1 ZINC000485398082 997827849 /nfs/dbraw/zinc/82/78/49/997827849.db2.gz FYTHULZTWCPRHH-UHFFFAOYSA-N 0 2 420.270 3.598 20 0 HHADLN CC(C)NC(=O)Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000485402730 997833838 /nfs/dbraw/zinc/83/38/38/997833838.db2.gz BZFHBBBMQUUVIL-UHFFFAOYSA-N 0 2 418.412 3.712 20 0 HHADLN COC(=O)c1cc(Br)ccc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000485430472 997868847 /nfs/dbraw/zinc/86/88/47/997868847.db2.gz VUJZZDLBBPMDJW-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1 ZINC000485474865 997923140 /nfs/dbraw/zinc/92/31/40/997923140.db2.gz DROPKIOIYUANBG-AWEZNQCLSA-N 0 2 417.512 3.658 20 0 HHADLN CC(C)(C)c1nc(=NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)s[nH]1 ZINC000477353475 998042003 /nfs/dbraw/zinc/04/20/03/998042003.db2.gz OTEHUXRQCFRERW-UHFFFAOYSA-N 0 2 420.535 3.810 20 0 HHADLN Cc1cc(Br)c(O)c(NS(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000477356414 998044448 /nfs/dbraw/zinc/04/44/48/998044448.db2.gz AJXMZOGYNHVKNW-UHFFFAOYSA-N 0 2 408.220 3.865 20 0 HHADLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c1 ZINC000486065351 998512975 /nfs/dbraw/zinc/51/29/75/998512975.db2.gz CXJYEDXFQRWUSM-UHFFFAOYSA-N 0 2 413.499 3.892 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c1 ZINC000486088148 998535462 /nfs/dbraw/zinc/53/54/62/998535462.db2.gz HMONUMIBQWJSGZ-UHFFFAOYSA-N 0 2 401.488 3.814 20 0 HHADLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cnn(CCC(C)C)c2C(C)C)c1 ZINC000486096048 998543547 /nfs/dbraw/zinc/54/35/47/998543547.db2.gz ZCGQRFAJCAKDIS-UHFFFAOYSA-N 0 2 407.536 3.948 20 0 HHADLN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)CC1 ZINC000486528404 998809189 /nfs/dbraw/zinc/80/91/89/998809189.db2.gz ODEVNVGNCBCWCK-INIZCTEOSA-N 0 2 410.905 3.750 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(Cc2ccc(Cl)cc2)o1 ZINC000486559467 998825780 /nfs/dbraw/zinc/82/57/80/998825780.db2.gz LZNBPDUXYGHZLH-UHFFFAOYSA-N 0 2 414.270 3.777 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000486567248 998830819 /nfs/dbraw/zinc/83/08/19/998830819.db2.gz OVYFPNFHNXGJTM-UHFFFAOYSA-N 0 2 417.874 3.797 20 0 HHADLN COCCCN1Cc2cccc(NS(=O)(=O)c3cc(Cl)ccc3OC)c2C1 ZINC000486573586 998834970 /nfs/dbraw/zinc/83/49/70/998834970.db2.gz SDUYQIFIDNVJTL-UHFFFAOYSA-N 0 2 410.923 3.502 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000478309260 998878761 /nfs/dbraw/zinc/87/87/61/998878761.db2.gz DBFSNENYBNIERK-UHFFFAOYSA-N 0 2 424.386 3.816 20 0 HHADLN C[C@@H](Oc1ccccc1Br)C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000486661480 998881494 /nfs/dbraw/zinc/88/14/94/998881494.db2.gz URWJEQGKZSIWHA-LLVKDONJSA-N 0 2 404.289 3.796 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000478324368 998888617 /nfs/dbraw/zinc/88/86/17/998888617.db2.gz HVTLBIZKYRVPIE-UHFFFAOYSA-N 0 2 400.776 3.841 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1nnc(-c2ccc(C)cc2C)s1 ZINC000486730688 998912125 /nfs/dbraw/zinc/91/21/25/998912125.db2.gz DCNLWMNHVVVBON-UHFFFAOYSA-N 0 2 421.500 3.565 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1nnc(SCc2cccs2)s1 ZINC000486737500 998915401 /nfs/dbraw/zinc/91/54/01/998915401.db2.gz ULLDDZPPUKQOEC-UHFFFAOYSA-N 0 2 413.571 3.839 20 0 HHADLN Cc1c(Br)cccc1S(=O)(=O)Nc1nc(-c2cccs2)ns1 ZINC000486759295 998927561 /nfs/dbraw/zinc/92/75/61/998927561.db2.gz MOYVSLNMECZELB-UHFFFAOYSA-N 0 2 416.347 3.560 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nc(-c3cccs3)ns2)ccc1Br ZINC000486769013 998932061 /nfs/dbraw/zinc/93/20/61/998932061.db2.gz FBHVHBMYOXHNEW-UHFFFAOYSA-N 0 2 416.347 3.560 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)CCc3cccc(Br)c3)s[nH]2)c1 ZINC000478702818 999096740 /nfs/dbraw/zinc/09/67/40/999096740.db2.gz MXCHWVJKEHHCOL-UHFFFAOYSA-N 0 2 418.316 3.969 20 0 HHADLN CCOCCC1(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CCCC1 ZINC000478739792 999116767 /nfs/dbraw/zinc/11/67/67/999116767.db2.gz MFERFOCGYCVTLO-UHFFFAOYSA-N 0 2 423.560 3.869 20 0 HHADLN O=C(NCc1ccnc(Oc2ccccc2F)c1)C1=NN(c2ccccc2)CC1=O ZINC000487493783 999197745 /nfs/dbraw/zinc/19/77/45/999197745.db2.gz BRIKLOMTPWTWPO-UHFFFAOYSA-N 0 2 404.401 3.834 20 0 HHADLN CN(Cc1ccc(Br)c(F)c1)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000487652233 999242652 /nfs/dbraw/zinc/24/26/52/999242652.db2.gz IPIQAKMRGRRBOR-UHFFFAOYSA-N 0 2 404.239 3.752 20 0 HHADLN Cc1cnn(Cc2cc(F)ccc2F)c1NS(=O)(=O)c1ccc2ncsc2c1 ZINC000479074077 999281453 /nfs/dbraw/zinc/28/14/53/999281453.db2.gz YRLFQNYGTGHDDP-UHFFFAOYSA-N 0 2 420.466 3.929 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)cc1Cl ZINC000479247624 999345131 /nfs/dbraw/zinc/34/51/31/999345131.db2.gz FSYXWAPRZBIFBK-UHFFFAOYSA-N 0 2 404.879 3.593 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2CCc2ccccc2)cc1Cl ZINC000479254734 999349508 /nfs/dbraw/zinc/34/95/08/999349508.db2.gz NIRZIMQVCGLUIU-UHFFFAOYSA-N 0 2 418.906 3.538 20 0 HHADLN COc1cc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)ccc1F ZINC000479355883 999400683 /nfs/dbraw/zinc/40/06/83/999400683.db2.gz FOFPVEWDOGCRIF-UHFFFAOYSA-N 0 2 409.190 3.773 20 0 HHADLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccccc1-c1c(F)cccc1F ZINC000488312988 999435457 /nfs/dbraw/zinc/43/54/57/999435457.db2.gz MDUFVXJECZHDBP-UHFFFAOYSA-N 0 2 423.462 3.836 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccc2ncsc2c1 ZINC000479481350 999436681 /nfs/dbraw/zinc/43/66/81/999436681.db2.gz GVOFMZCXVHFLGN-CYBMUJFWSA-N 0 2 408.476 3.794 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)cc1-n1cccc1)c1cnn(CC(F)(F)F)c1 ZINC000479483851 999438146 /nfs/dbraw/zinc/43/81/46/999438146.db2.gz OVCJYYJMEFMRKR-UHFFFAOYSA-N 0 2 404.801 3.690 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1NC(=O)C(C)(C)C ZINC000479484895 999438237 /nfs/dbraw/zinc/43/82/37/999438237.db2.gz SKGZHIGXUIAGBJ-UHFFFAOYSA-N 0 2 418.441 3.539 20 0 HHADLN CCOc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)OCCO2 ZINC000488320835 999438842 /nfs/dbraw/zinc/43/88/42/999438842.db2.gz YRENGLAFCSXMFS-UHFFFAOYSA-N 0 2 404.271 3.964 20 0 HHADLN Cc1cccc(F)c1S(=O)(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000479493754 999443554 /nfs/dbraw/zinc/44/35/54/999443554.db2.gz AXPPVPHNEVKDEF-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN CCOc1cc2c(cc1NS(=O)(=O)c1c(C)ccc3cccnc31)OCCO2 ZINC000488331567 999443940 /nfs/dbraw/zinc/44/39/40/999443940.db2.gz MOZBETIERNQQSR-UHFFFAOYSA-N 0 2 400.456 3.514 20 0 HHADLN COC(=O)COc1ccc(NS(=O)(=O)c2c(C)cccc2F)c2ccccc12 ZINC000479501767 999446837 /nfs/dbraw/zinc/44/68/37/999446837.db2.gz XPKHSDYVAKCHNB-UHFFFAOYSA-N 0 2 403.431 3.640 20 0 HHADLN COc1cc(OC)c(NS(=O)(=O)c2ccccc2Cl)cc1Br ZINC000488359349 999455954 /nfs/dbraw/zinc/45/59/54/999455954.db2.gz UTIVHNQERUHYFD-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN COc1cc(OC)c(NS(=O)(=O)c2cc(F)cc(F)c2)cc1Br ZINC000488372681 999462944 /nfs/dbraw/zinc/46/29/44/999462944.db2.gz UIDVILSHXLJQOQ-UHFFFAOYSA-N 0 2 408.220 3.545 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1cc(F)c(F)c(F)c1 ZINC000488384396 999468389 /nfs/dbraw/zinc/46/83/89/999468389.db2.gz AAMMWIPZYHALTD-SNVBAGLBSA-N 0 2 421.824 3.973 20 0 HHADLN CC(C)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000488393369 999472488 /nfs/dbraw/zinc/47/24/88/999472488.db2.gz SJPNHAQJNUNXAO-FQEVSTJZSA-N 0 2 422.982 3.623 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c(F)c1 ZINC000479622763 999505689 /nfs/dbraw/zinc/50/56/89/999505689.db2.gz VTMNHVBUPKAEMA-UHFFFAOYSA-N 0 2 414.430 3.961 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)oc1C ZINC000488594988 999539769 /nfs/dbraw/zinc/53/97/69/999539769.db2.gz LJVMCQAAJJOJTA-AWEZNQCLSA-N 0 2 400.884 3.694 20 0 HHADLN COC[C@H](C)n1ccc(NS(=O)(=O)c2ccc(Oc3ccc(OC)cc3)cc2)n1 ZINC000489046793 999681749 /nfs/dbraw/zinc/68/17/49/999681749.db2.gz RPAASJAPAWFTIL-HNNXBMFYSA-N 0 2 417.487 3.692 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)cnn1-c1ccccn1 ZINC000480004120 999682556 /nfs/dbraw/zinc/68/25/56/999682556.db2.gz MOOOLPYLBGUBMU-UHFFFAOYSA-N 0 2 416.551 3.626 20 0 HHADLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)sc2C1 ZINC000480020667 999689596 /nfs/dbraw/zinc/68/95/96/999689596.db2.gz YRXKQSOTUZAWIN-AWEZNQCLSA-N 0 2 417.560 3.738 20 0 HHADLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1ccc(Oc2ccc(Cl)cc2Cl)cc1 ZINC000480037117 999696386 /nfs/dbraw/zinc/69/63/86/999696386.db2.gz PKSQGGKNUOKFLJ-UHFFFAOYSA-N 0 2 407.257 3.972 20 0 HHADLN CCOC(=O)c1c(CC)c(C)sc1NS(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000480133730 999726197 /nfs/dbraw/zinc/72/61/97/999726197.db2.gz OWBNFHKCDLVRTE-UHFFFAOYSA-N 0 2 424.544 3.863 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cccc(I)c2)c1C ZINC000480220844 999748905 /nfs/dbraw/zinc/74/89/05/999748905.db2.gz GWEZNIGWHCSBAT-SNVBAGLBSA-N 0 2 419.288 3.568 20 0 HHADLN CCc1c(NS(=O)(=O)c2c(C)csc2C(=O)OC)cnn1-c1cccc(C)c1 ZINC000480203157 999744143 /nfs/dbraw/zinc/74/41/43/999744143.db2.gz ZEBZKWVEEFUSSP-UHFFFAOYSA-N 0 2 419.528 3.700 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OCC1CC1)c1cc2c(cc1Cl)OCCO2 ZINC000480225485 999749997 /nfs/dbraw/zinc/74/99/97/999749997.db2.gz KRTFMDUKZDAHOY-UHFFFAOYSA-N 0 2 413.854 3.840 20 0 HHADLN Cc1ccc(-n2ncc(NS(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)c2C(C)C)cc1 ZINC000480234002 999752404 /nfs/dbraw/zinc/75/24/04/999752404.db2.gz VZPYDENKAWGVLM-UHFFFAOYSA-N 0 2 411.487 3.687 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)OCO3)cnn1-c1ccc(Cl)cc1 ZINC000480240093 999753884 /nfs/dbraw/zinc/75/38/84/999753884.db2.gz JFYNRWCOMQVHAT-UHFFFAOYSA-N 0 2 405.863 3.618 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)COC3)cnn1-c1ccccc1Cl ZINC000480242393 999754635 /nfs/dbraw/zinc/75/46/35/999754635.db2.gz BRJUXQVEOKPHSQ-UHFFFAOYSA-N 0 2 403.891 3.919 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cnn1-c1ccccc1C ZINC000480250950 999756482 /nfs/dbraw/zinc/75/64/82/999756482.db2.gz RSLXPLTUFBEIDO-UHFFFAOYSA-N 0 2 413.499 3.639 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1cc(-c2ccsc2)nn1C ZINC000489678365 999815896 /nfs/dbraw/zinc/81/58/96/999815896.db2.gz KGUXGKWJQGMVJI-UHFFFAOYSA-N 0 2 400.489 3.523 20 0 HHADLN Cc1c2ccccc2oc1C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000490086817 999890778 /nfs/dbraw/zinc/89/07/78/999890778.db2.gz LFHQQSNKDHMKPY-UHFFFAOYSA-N 0 2 414.468 3.646 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000490088559 999891287 /nfs/dbraw/zinc/89/12/87/999891287.db2.gz PEGSCZJXBZBMJA-SOUVJXGZSA-N 0 2 420.560 3.884 20 0 HHADLN CC1(C)CCC[C@H](CC(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)C1 ZINC000490092148 999892093 /nfs/dbraw/zinc/89/20/93/999892093.db2.gz YVNDNIUBFVKQGX-CYBMUJFWSA-N 0 2 408.549 3.884 20 0 HHADLN COC(=O)c1c(C)cccc1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000491594503 1000087360 /nfs/dbraw/zinc/08/73/60/1000087360.db2.gz QRKZQKFUSYDCNH-UHFFFAOYSA-N 0 2 418.696 3.998 20 0 HHADLN CN(C)c1cccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1 ZINC000493155410 1000160464 /nfs/dbraw/zinc/16/04/64/1000160464.db2.gz NSVLPKKLWTZQLL-UHFFFAOYSA-N 0 2 409.483 3.879 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)[C@@H]1O[C@@H](C)C[C@H]1C ZINC000505072557 1000536289 /nfs/dbraw/zinc/53/62/89/1000536289.db2.gz ZAZQEVMPPDVILA-BIENJYKASA-N 0 2 406.479 3.687 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2OCC(F)(F)F)c1 ZINC000505300260 1000683155 /nfs/dbraw/zinc/68/31/55/1000683155.db2.gz QZOOZUGVMASJAA-UHFFFAOYSA-N 0 2 409.357 3.585 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCCc2cccc(O)c2)cc1 ZINC000505611345 1000933869 /nfs/dbraw/zinc/93/38/69/1000933869.db2.gz UBWSNTYNHLVLLJ-UHFFFAOYSA-N 0 2 416.524 3.535 20 0 HHADLN CC1(C)CN(C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)C[C@](C)(C(F)(F)F)O1 ZINC000505780862 1001020135 /nfs/dbraw/zinc/02/01/35/1001020135.db2.gz DYQABMLADIRXBK-QGZVFWFLSA-N 0 2 417.815 3.803 20 0 HHADLN COc1ccc2[nH]nc(NC(=O)c3[nH]nc(-c4ccccc4)c3Br)c2c1 ZINC000495551124 1001044506 /nfs/dbraw/zinc/04/45/06/1001044506.db2.gz SPFIYTLUOBGENU-UHFFFAOYSA-N 0 2 412.247 3.976 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCC[C@@]3(CO)Cc3ccccc3)=N2)c1 ZINC000505928395 1001108343 /nfs/dbraw/zinc/10/83/43/1001108343.db2.gz NHCIUUAWSYCTCU-VWLOTQADSA-N 0 2 419.525 3.911 20 0 HHADLN CCc1nc(C)c(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)s1 ZINC000506119879 1001232330 /nfs/dbraw/zinc/23/23/30/1001232330.db2.gz BDUNOYLKALXNKP-UHFFFAOYSA-N 0 2 408.530 3.524 20 0 HHADLN O=C(Nc1ccc2c(c1)OCO2)c1ccccc1NS(=O)(=O)c1ccsc1 ZINC000506601084 1001467993 /nfs/dbraw/zinc/46/79/93/1001467993.db2.gz OSEKZMXBMVNYME-UHFFFAOYSA-N 0 2 402.453 3.530 20 0 HHADLN CCOc1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)c1 ZINC000506689467 1001494841 /nfs/dbraw/zinc/49/48/41/1001494841.db2.gz NDEGRQPUQNJWKK-UHFFFAOYSA-N 0 2 404.271 3.980 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1csc2c1CCCC2 ZINC000497796617 1001516334 /nfs/dbraw/zinc/51/63/34/1001516334.db2.gz DLIZTHIZFCNTLO-UHFFFAOYSA-N 0 2 420.541 3.532 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000506820994 1001548686 /nfs/dbraw/zinc/54/86/86/1001548686.db2.gz KZTSHDVCGZSYEG-UHFFFAOYSA-N 0 2 403.378 3.692 20 0 HHADLN Cc1cnn(C)c1S(=O)(=O)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC000506824805 1001551096 /nfs/dbraw/zinc/55/10/96/1001551096.db2.gz ZSFHTQFTBLSAST-UHFFFAOYSA-N 0 2 416.450 3.595 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1nc[nH]n1)c1ccc(Br)cc1Cl ZINC000498030520 1001613436 /nfs/dbraw/zinc/61/34/36/1001613436.db2.gz IIGLBMPQNHSWTL-UHFFFAOYSA-N 0 2 413.684 3.688 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3C[C@@H](c4ccsc4)O[C@@H](C)C3)s[nH]2)c1 ZINC000498222880 1001706071 /nfs/dbraw/zinc/70/60/71/1001706071.db2.gz AGTVWRUVAPYAPL-LRDDRELGSA-N 0 2 416.528 3.691 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1OC[C@H]1CCCO1)c1cncc(Cl)c1 ZINC000506994602 1001753650 /nfs/dbraw/zinc/75/36/50/1001753650.db2.gz JSDBWGHTDNPSAM-CYBMUJFWSA-N 0 2 403.287 3.747 20 0 HHADLN CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000507159366 1001847210 /nfs/dbraw/zinc/84/72/10/1001847210.db2.gz BFAMVYSWSZGNKJ-SFHVURJKSA-N 0 2 419.529 3.693 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)ccc1S(C)(=O)=O ZINC000498512649 1001936225 /nfs/dbraw/zinc/93/62/25/1001936225.db2.gz ZOHWSHFGOVNJMH-UHFFFAOYSA-N 0 2 400.330 3.568 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@H](c2nccs2)C(F)(F)F)=N1 ZINC000507558500 1002163876 /nfs/dbraw/zinc/16/38/76/1002163876.db2.gz RHMSJPRBMPKHSO-CYBMUJFWSA-N 0 2 400.357 3.515 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1OC1CCOCC1)c1cccc2cccnc21 ZINC000507584927 1002189891 /nfs/dbraw/zinc/18/98/91/1002189891.db2.gz QOVVNFUNRCLTTO-UHFFFAOYSA-N 0 2 402.447 3.733 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2sccc2C)c(C)cc1Br ZINC000507597323 1002203816 /nfs/dbraw/zinc/20/38/16/1002203816.db2.gz DHVZRKBDZWBTMI-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN COC(=O)c1scc(-c2ccc(C)cc2)c1NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000507630140 1002233148 /nfs/dbraw/zinc/23/31/48/1002233148.db2.gz NRAGRUHOVCYBNJ-HNNXBMFYSA-N 0 2 409.529 3.821 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2cccc(F)c2F)c(C)cc1Br ZINC000507648679 1002248784 /nfs/dbraw/zinc/24/87/84/1002248784.db2.gz HMJUGKHREPZPDC-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(F)c(N3C(=O)CCC3=O)c2)s1 ZINC000507651186 1002250887 /nfs/dbraw/zinc/25/08/87/1002250887.db2.gz SBLLLNQWPKBYLS-UHFFFAOYSA-N 0 2 410.492 3.639 20 0 HHADLN Cc1cnn(C)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000507886566 1002418186 /nfs/dbraw/zinc/41/81/86/1002418186.db2.gz HWIUQMSYGHIHAM-UHFFFAOYSA-N 0 2 415.409 3.905 20 0 HHADLN CC(C)n1cnnc1-c1ccccc1NS(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000507917757 1002452569 /nfs/dbraw/zinc/45/25/69/1002452569.db2.gz CNBJIHHUHBGLCJ-UHFFFAOYSA-N 0 2 403.508 3.753 20 0 HHADLN Cc1cccc([C@H](NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)c2ccccn2)c1 ZINC000499099781 1002491020 /nfs/dbraw/zinc/49/10/20/1002491020.db2.gz IBGOTLIZSGIGCA-NRFANRHFSA-N 0 2 402.429 3.940 20 0 HHADLN O=S(=O)(Nc1ccc(Oc2ccccc2F)nc1)c1cncc(Br)c1 ZINC000507980961 1002510359 /nfs/dbraw/zinc/51/03/59/1002510359.db2.gz WICJSRLOPHAIRU-UHFFFAOYSA-N 0 2 424.251 3.971 20 0 HHADLN CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc3nn[nH]c3c2)[C@H]1c1ccccc1OC ZINC000508003585 1002531642 /nfs/dbraw/zinc/53/16/42/1002531642.db2.gz YYDTUAHZPGAIQM-HTAPYJJXSA-N 0 2 421.501 3.685 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N(C)CCCc3cc(-c4ccccc4)n(C)n3)c[nH]c2n1 ZINC000499192240 1002581229 /nfs/dbraw/zinc/58/12/29/1002581229.db2.gz PPSDVNXKINIOEQ-UHFFFAOYSA-N 0 2 415.497 3.749 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(s2)CSCC3)c2ccccc12 ZINC000508081281 1002601749 /nfs/dbraw/zinc/60/17/49/1002601749.db2.gz BXBGUERLISGSNL-UHFFFAOYSA-N 0 2 419.553 3.845 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccccn2)s1)c1ccccc1OC(F)(F)F ZINC000508093687 1002617739 /nfs/dbraw/zinc/61/77/39/1002617739.db2.gz IMMKDRNXLCOTRO-UHFFFAOYSA-N 0 2 401.391 3.905 20 0 HHADLN Cc1ccc(Br)cc1S(=O)(=O)Nc1nc(C2CCOCC2)cs1 ZINC000508110012 1002636851 /nfs/dbraw/zinc/63/68/51/1002636851.db2.gz BRNWUMFZLCQIIA-UHFFFAOYSA-N 0 2 417.350 3.909 20 0 HHADLN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1ccc(Br)c(F)c1 ZINC000508110464 1002636755 /nfs/dbraw/zinc/63/67/55/1002636755.db2.gz DRJBGUTXVSIVBZ-UHFFFAOYSA-N 0 2 421.313 3.740 20 0 HHADLN Cc1c(Br)cccc1S(=O)(=O)Nc1nc(C2CCOCC2)cs1 ZINC000508111304 1002638633 /nfs/dbraw/zinc/63/86/33/1002638633.db2.gz ILCDVXHLVBHVMO-UHFFFAOYSA-N 0 2 417.350 3.909 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)Nc2nc3c(s2)CSCC3)s1 ZINC000508113019 1002640719 /nfs/dbraw/zinc/64/07/19/1002640719.db2.gz PPCCPQXBPSSGFK-UHFFFAOYSA-N 0 2 411.393 3.866 20 0 HHADLN O=S(=O)(Cc1cccc(C(F)(F)F)c1)Nc1nc(C2CCOCC2)cs1 ZINC000508113784 1002642929 /nfs/dbraw/zinc/64/29/29/1002642929.db2.gz WCYFZMWWRUOFTH-UHFFFAOYSA-N 0 2 406.451 3.998 20 0 HHADLN Cc1cc(Br)ccc1S(=O)(=O)Nc1nc(C2CCOCC2)cs1 ZINC000508114083 1002643270 /nfs/dbraw/zinc/64/32/70/1002643270.db2.gz XFNAUMKLKBILAL-UHFFFAOYSA-N 0 2 417.350 3.909 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)N[C@H](c2c[nH]c3ccccc32)C(F)(F)F)s1 ZINC000508124961 1002655223 /nfs/dbraw/zinc/65/52/23/1002655223.db2.gz LHCOXESKNRQXIO-CQSZACIVSA-N 0 2 418.418 3.598 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc(-c2ccc(F)cc2)n1 ZINC000508127108 1002657203 /nfs/dbraw/zinc/65/72/03/1002657203.db2.gz HKFXAKPKNPAHSM-UHFFFAOYSA-N 0 2 415.446 3.553 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2nc3c(s2)CSCC3)c1 ZINC000508142680 1002676997 /nfs/dbraw/zinc/67/69/97/1002676997.db2.gz PDSVOUNMOYWPHV-UHFFFAOYSA-N 0 2 421.363 3.504 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc3c(s2)c(Cl)ccc3C)c(C)o1 ZINC000508144023 1002678486 /nfs/dbraw/zinc/67/84/86/1002678486.db2.gz QJDBOUHAMCJYSK-UHFFFAOYSA-N 0 2 400.865 3.747 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3cnn(CC(C)C)c3C(C)C)cc2C[C@@H]1C ZINC000499276178 1002683195 /nfs/dbraw/zinc/68/31/95/1002683195.db2.gz XHDRPGOQNOUZIR-HNNXBMFYSA-N 0 2 418.563 3.761 20 0 HHADLN COCc1nc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)sc1C(=O)OC ZINC000508239283 1002764683 /nfs/dbraw/zinc/76/46/83/1002764683.db2.gz ZTQIQMLDZDUMQZ-UHFFFAOYSA-N 0 2 418.496 3.544 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000508322912 1002827840 /nfs/dbraw/zinc/82/78/40/1002827840.db2.gz SYERSJMGDSTSMT-UHFFFAOYSA-N 0 2 406.485 3.916 20 0 HHADLN COc1ccc(OC)c(CN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C2CC2)c1 ZINC000499543163 1002926994 /nfs/dbraw/zinc/92/69/94/1002926994.db2.gz WKHNQXNJOGCSLM-UHFFFAOYSA-N 0 2 411.433 3.539 20 0 HHADLN COCc1cccc2sc(NS(=O)(=O)c3ccc(C(F)(F)F)nc3)nc21 ZINC000499571061 1002950203 /nfs/dbraw/zinc/95/02/03/1002950203.db2.gz CHGMWERTONKGBO-UHFFFAOYSA-N 0 2 403.407 3.657 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(C)Cc3ccc(SC)c(OC)c3)=N2)cc1 ZINC000499653828 1003014718 /nfs/dbraw/zinc/01/47/18/1003014718.db2.gz CCFOJFUAWQLJRF-UHFFFAOYSA-N 0 2 413.499 3.589 20 0 HHADLN Cc1ccc(C(=O)C2CCN(C(=O)C3=NN(c4ccc(F)cc4)CC3=O)CC2)cc1 ZINC000499696722 1003048008 /nfs/dbraw/zinc/04/80/08/1003048008.db2.gz QAIVTFLVYZWWKW-UHFFFAOYSA-N 0 2 407.445 3.761 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](C)c3ccc(OC(F)F)cc3)=N2)cc1 ZINC000499714714 1003063640 /nfs/dbraw/zinc/06/36/40/1003063640.db2.gz OUZINOIGVPABDT-GFCCVEGCSA-N 0 2 403.385 3.679 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NCc3ccc(-c4cccnc4)cc3)=N2)cc1 ZINC000499836982 1003173144 /nfs/dbraw/zinc/17/31/44/1003173144.db2.gz KKPSJRLSHVYHOJ-UHFFFAOYSA-N 0 2 400.438 3.579 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3C[C@H](c4cc(C)ccc4C)OC[C@@H]3C)=N2)cc1 ZINC000499863770 1003200331 /nfs/dbraw/zinc/20/03/31/1003200331.db2.gz RASVFXDAOHIZFO-HTAPYJJXSA-N 0 2 421.497 3.806 20 0 HHADLN CN(CCc1ccc(Br)cc1)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499981130 1003295767 /nfs/dbraw/zinc/29/57/67/1003295767.db2.gz SCYYQDJNPIBMJY-UHFFFAOYSA-N 0 2 418.266 3.794 20 0 HHADLN C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000500013369 1003339817 /nfs/dbraw/zinc/33/98/17/1003339817.db2.gz XXJUSCVKLVYYRQ-DJJJIMSYSA-N 0 2 415.852 3.973 20 0 HHADLN Cc1nc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3)c(F)cc2C)c(C)o1 ZINC000509033281 1003503867 /nfs/dbraw/zinc/50/38/67/1003503867.db2.gz PVURZMBUMLMSIO-UHFFFAOYSA-N 0 2 403.435 3.792 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H]3CCCO[C@@H]3c3ccc(C)cc3)=N2)cc1 ZINC000500150330 1003506010 /nfs/dbraw/zinc/50/60/10/1003506010.db2.gz UPIFKTKFWQLADR-DENIHFKCSA-N 0 2 407.470 3.545 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1cnc2ccccc2c1 ZINC000509069443 1003530602 /nfs/dbraw/zinc/53/06/02/1003530602.db2.gz SUOSYAWPORMGOY-MRXNPFEDSA-N 0 2 402.447 3.733 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1OC ZINC000500299789 1003607816 /nfs/dbraw/zinc/60/78/16/1003607816.db2.gz BZDRQHAZRWAYIL-UHFFFAOYSA-N 0 2 404.257 3.796 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cn1 ZINC000509203823 1003622079 /nfs/dbraw/zinc/62/20/79/1003622079.db2.gz AQJBKIRNZVBABB-UHFFFAOYSA-N 0 2 412.949 3.988 20 0 HHADLN Cn1cnc2cc(NS(=O)(=O)c3c(Cl)cccc3Br)ccc21 ZINC000509204974 1003622669 /nfs/dbraw/zinc/62/26/69/1003622669.db2.gz YXMZMKGKLVOZHY-UHFFFAOYSA-N 0 2 400.685 3.790 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000509213043 1003628143 /nfs/dbraw/zinc/62/81/43/1003628143.db2.gz TUEKPKQMYMQWCE-UHFFFAOYSA-N 0 2 407.492 3.694 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2cnc3ccccc3c2)cn1)c1ccccc1 ZINC000509217724 1003631160 /nfs/dbraw/zinc/63/11/60/1003631160.db2.gz BWMVUYCJNJTGBY-UHFFFAOYSA-N 0 2 404.451 3.683 20 0 HHADLN O=S(=O)(Nc1ccc(-n2cccn2)c(F)c1)c1cc(Br)ccc1F ZINC000500346604 1003645280 /nfs/dbraw/zinc/64/52/80/1003645280.db2.gz KXFGUEPQKFVUGN-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN CC(=O)Nc1cc(NS(=O)(=O)c2cc(Br)ccc2F)ccc1C ZINC000500377991 1003675903 /nfs/dbraw/zinc/67/59/03/1003675903.db2.gz ZDMBVDJVPHRIOB-UHFFFAOYSA-N 0 2 401.257 3.656 20 0 HHADLN COc1ccc(C[C@@H](C)CN(C)C(=O)C2=NN(c3ccc(OC)cc3)CC2=O)cc1 ZINC000500391865 1003686707 /nfs/dbraw/zinc/68/67/07/1003686707.db2.gz VIOIZCMNDSKEKU-MRXNPFEDSA-N 0 2 409.486 3.546 20 0 HHADLN COc1ccc(C[C@H](C)CN(C)C(=O)C2=NN(c3ccc(OC)cc3)CC2=O)cc1 ZINC000500391863 1003686835 /nfs/dbraw/zinc/68/68/35/1003686835.db2.gz VIOIZCMNDSKEKU-INIZCTEOSA-N 0 2 409.486 3.546 20 0 HHADLN Cc1cc(C2CC2)nc(NS(=O)(=O)c2ccc(Cl)cc2Br)n1 ZINC000500460421 1003730441 /nfs/dbraw/zinc/73/04/41/1003730441.db2.gz JLVUZCRJAPOXCD-UHFFFAOYSA-N 0 2 402.701 3.879 20 0 HHADLN CC(C)c1nnc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)o1 ZINC000500475373 1003737408 /nfs/dbraw/zinc/73/74/08/1003737408.db2.gz ICUFYBFPZMLIMU-UHFFFAOYSA-N 0 2 414.203 3.775 20 0 HHADLN CC(C)(C)Cc1nnc(NS(=O)(=O)c2ccc(Cl)cc2Br)o1 ZINC000500495320 1003747282 /nfs/dbraw/zinc/74/72/82/1003747282.db2.gz ICWXAQKIBVRALV-UHFFFAOYSA-N 0 2 408.705 3.875 20 0 HHADLN CO[C@H]1CCC[C@@H](Oc2ccnc(NS(=O)(=O)c3ccc(C)cc3Cl)n2)C1 ZINC000500566128 1003786896 /nfs/dbraw/zinc/78/68/96/1003786896.db2.gz BVDPOVHYTUISKL-UONOGXRCSA-N 0 2 411.911 3.576 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2ccc(Br)c3cccnc23)cn1 ZINC000509392371 1003823177 /nfs/dbraw/zinc/82/31/77/1003823177.db2.gz PGFMJEOZGBYVLG-UHFFFAOYSA-N 0 2 408.277 3.592 20 0 HHADLN Cc1cccc(F)c1S(=O)(=O)Nc1ccc(Cl)c(F)c1N1CCOCC1 ZINC000509397302 1003827927 /nfs/dbraw/zinc/82/79/27/1003827927.db2.gz SFSWTUOCTHRCRB-UHFFFAOYSA-N 0 2 402.850 3.564 20 0 HHADLN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)C1 ZINC000511958444 1003920786 /nfs/dbraw/zinc/92/07/86/1003920786.db2.gz AMYLTMYNGLUKJN-GXTWGEPZSA-N 0 2 406.939 3.504 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cc(NC(=O)C(C)C)ccc1C ZINC000509554812 1003942031 /nfs/dbraw/zinc/94/20/31/1003942031.db2.gz KHYMDTKDUKWUBS-UHFFFAOYSA-N 0 2 424.906 3.830 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cccc3c2OCCO3)c(OCC(F)(F)F)c1 ZINC000509587036 1003963240 /nfs/dbraw/zinc/96/32/40/1003963240.db2.gz IJQJESYZBSMMGU-UHFFFAOYSA-N 0 2 403.378 3.508 20 0 HHADLN CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)c2c[nH]c3c(cnn3C)c2=O)CC1 ZINC000512035861 1003971836 /nfs/dbraw/zinc/97/18/36/1003971836.db2.gz ZEQQSXITRXYKGV-UHFFFAOYSA-N 0 2 422.485 3.624 20 0 HHADLN O=S(=O)(Nc1cccc(OCC(F)(F)F)c1)c1cnn(Cc2ccccc2)c1 ZINC000509611319 1003978254 /nfs/dbraw/zinc/97/82/54/1003978254.db2.gz OORIUGRTVZFSDA-UHFFFAOYSA-N 0 2 411.405 3.673 20 0 HHADLN CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)OC)c1 ZINC000509611387 1003978354 /nfs/dbraw/zinc/97/83/54/1003978354.db2.gz PMKUENIVWUOBIJ-UHFFFAOYSA-N 0 2 410.879 3.666 20 0 HHADLN COC(=O)c1nccc2c1cccc2S(=O)(=O)Nc1nc2c(s1)CCCCC2 ZINC000500836006 1003991478 /nfs/dbraw/zinc/99/14/78/1003991478.db2.gz FBZBBEPCJHNUAB-UHFFFAOYSA-N 0 2 417.512 3.548 20 0 HHADLN CO[C@H](C)c1nsc(NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)n1 ZINC000509728210 1004055154 /nfs/dbraw/zinc/05/51/54/1004055154.db2.gz LZPJZJRLEYWSMJ-GFCCVEGCSA-N 0 2 401.454 3.847 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1c[nH]c(-c2ccccc2)n1 ZINC000512289318 1004192077 /nfs/dbraw/zinc/19/20/77/1004192077.db2.gz RYJQSBNZKMNQRL-UHFFFAOYSA-N 0 2 409.247 3.877 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)c2cccc(F)c2F)c(F)c1Cl ZINC000501152043 1004238164 /nfs/dbraw/zinc/23/81/64/1004238164.db2.gz BPCAJGGDIHICNA-SSDOTTSWSA-N 0 2 424.803 3.894 20 0 HHADLN COc1ccc(CCNC(=O)N=c2nc(-c3ccccc3)[nH]s2)cc1OC(F)F ZINC000510086061 1004313303 /nfs/dbraw/zinc/31/33/03/1004313303.db2.gz KIOKKKHLEKIWOH-UHFFFAOYSA-N 0 2 420.441 3.601 20 0 HHADLN CCN(C(=O)CSc1nc(=O)cc(O)n1C1CCCC1)[C@H](C)c1ccc(F)cc1 ZINC000510173120 1004374361 /nfs/dbraw/zinc/37/43/61/1004374361.db2.gz QWSMAXCMYDFWKA-CQSZACIVSA-N 0 2 419.522 3.905 20 0 HHADLN O=S(=O)(Nc1nccs1)c1cccc(NCc2cn3cc(Cl)ccc3n2)c1 ZINC000512614736 1004427925 /nfs/dbraw/zinc/42/79/25/1004427925.db2.gz SJMCZHAULALIMJ-UHFFFAOYSA-N 0 2 419.919 3.857 20 0 HHADLN Cc1c(Cl)cccc1NC(=O)CCNC(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000510633616 1004767218 /nfs/dbraw/zinc/76/72/18/1004767218.db2.gz GDHRBEZJXUSJBE-UHFFFAOYSA-N 0 2 415.906 3.739 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC000511131863 1005036344 /nfs/dbraw/zinc/03/63/44/1005036344.db2.gz QLWYACSLUQKGOK-UHFFFAOYSA-N 0 2 404.419 3.831 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1ccc2oc(C)nc2c1 ZINC000502400510 1005057884 /nfs/dbraw/zinc/05/78/84/1005057884.db2.gz SMLWTCKPBKKENH-UHFFFAOYSA-N 0 2 415.240 3.847 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2ccc(Cl)cc2O)cc1OC ZINC000513817511 1005142277 /nfs/dbraw/zinc/14/22/77/1005142277.db2.gz JEZHYDJFKWDUSL-UHFFFAOYSA-N 0 2 422.684 3.626 20 0 HHADLN C[C@H](CC1CCCCC1)C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1 ZINC000511542216 1005216861 /nfs/dbraw/zinc/21/68/61/1005216861.db2.gz RUYWZZGPHWARHZ-CYBMUJFWSA-N 0 2 408.549 3.884 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2cccc(C(F)F)c2)c1 ZINC000502796446 1005221444 /nfs/dbraw/zinc/22/14/44/1005221444.db2.gz PSKXYMXHSLDFRN-UHFFFAOYSA-N 0 2 403.378 3.749 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c1 ZINC000502816213 1005229309 /nfs/dbraw/zinc/22/93/09/1005229309.db2.gz YEGUDRBTGTVGAY-UHFFFAOYSA-N 0 2 405.806 3.604 20 0 HHADLN COCCOc1ccccc1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000511727840 1005295030 /nfs/dbraw/zinc/29/50/30/1005295030.db2.gz SOFGDHNTOOYLSG-UHFFFAOYSA-N 0 2 420.712 3.929 20 0 HHADLN CC(C)NC(=O)c1ccc(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1 ZINC000503332493 1005392268 /nfs/dbraw/zinc/39/22/68/1005392268.db2.gz PZICXYIPXMXTEL-UHFFFAOYSA-N 0 2 400.891 3.671 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2-c2cccc(Cl)c2)cc1 ZINC000503903733 1005508286 /nfs/dbraw/zinc/50/82/86/1005508286.db2.gz XGYBRWNJPBGAHB-UHFFFAOYSA-N 0 2 404.879 3.675 20 0 HHADLN Cc1ccccc1-n1nccc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000503980638 1005524943 /nfs/dbraw/zinc/52/49/43/1005524943.db2.gz GSCOYZQCMZVKME-UHFFFAOYSA-N 0 2 404.451 3.700 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(Cl)c(OC(F)F)c2)cnn1-c1ccccn1 ZINC000504055622 1005541949 /nfs/dbraw/zinc/54/19/49/1005541949.db2.gz CXCGPZVXYSIJBU-UHFFFAOYSA-N 0 2 414.821 3.631 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCOC[C@@H]1c1nc2ccccc2s1 ZINC000504187568 1005569591 /nfs/dbraw/zinc/56/95/91/1005569591.db2.gz GBBWATVZYFVADH-MRXNPFEDSA-N 0 2 424.457 3.540 20 0 HHADLN CCCN(C(=O)C1=NN(c2ccccc2)CC1=O)[C@H](C)CC(=O)Nc1ccccc1 ZINC000504212435 1005574140 /nfs/dbraw/zinc/57/41/40/1005574140.db2.gz MTTRJWOOIWXUPS-QGZVFWFLSA-N 0 2 406.486 3.847 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N2[C@H](C)CCC[C@@H]2C)c1 ZINC000504377475 1005611815 /nfs/dbraw/zinc/61/18/15/1005611815.db2.gz XTSDHTXHHMKOFJ-GASCZTMLSA-N 0 2 418.515 3.605 20 0 HHADLN CC(C)[C@@H](NC(=O)CSc1n[nH]c(C(C)(C)C)n1)c1ccc2c(c1)OCCCO2 ZINC000514521292 1006018650 /nfs/dbraw/zinc/01/86/50/1006018650.db2.gz PCGINTQBOLAAGW-GOSISDBHSA-N 0 2 418.563 3.869 20 0 HHADLN CC(C)Oc1cccnc1C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000531187472 1006033620 /nfs/dbraw/zinc/03/36/20/1006033620.db2.gz UCUBWJPDHLUBNW-UHFFFAOYSA-N 0 2 402.252 3.669 20 0 HHADLN Cc1ccc(-n2nc(C(C)C)cc2NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000514593383 1006048881 /nfs/dbraw/zinc/04/88/81/1006048881.db2.gz UUYRJCRDVMKWFS-UHFFFAOYSA-N 0 2 413.499 3.876 20 0 HHADLN Cc1ccc2cccc(S(=O)(=O)Nc3ccc(C(=O)N(C)C)c(Cl)c3)c2n1 ZINC000531249016 1006069037 /nfs/dbraw/zinc/06/90/37/1006069037.db2.gz ZQLZHEPJGJYLLT-UHFFFAOYSA-N 0 2 403.891 3.699 20 0 HHADLN O=S(=O)(Cc1ccc(OCC(F)(F)F)cc1)c1n[nH]c(-c2ccccc2F)n1 ZINC000514709621 1006090718 /nfs/dbraw/zinc/09/07/18/1006090718.db2.gz ZZIHDHDSKDCUPZ-UHFFFAOYSA-N 0 2 415.368 3.526 20 0 HHADLN Cc1cc(C)c(CS(=O)(=O)c2n[nH]c(COc3ccc(Cl)cc3)n2)c(C)c1 ZINC000514786895 1006127869 /nfs/dbraw/zinc/12/78/69/1006127869.db2.gz LFOPMGFXDFFXTA-UHFFFAOYSA-N 0 2 405.907 3.936 20 0 HHADLN O=C(Nc1cc(Cl)cc(Br)c1O)C(=O)c1cnn(-c2ccccc2)c1 ZINC000531372537 1006157290 /nfs/dbraw/zinc/15/72/90/1006157290.db2.gz XRYLBTUTBUDHPA-UHFFFAOYSA-N 0 2 420.650 3.815 20 0 HHADLN O=S(=O)(Nc1ncc(-c2cncc(F)c2)cn1)c1csc(-c2ccccc2)n1 ZINC000515261295 1006368457 /nfs/dbraw/zinc/36/84/57/1006368457.db2.gz YWMLXXZHCJRCDH-UHFFFAOYSA-N 0 2 413.459 3.602 20 0 HHADLN O=S(=O)(Cc1ccc(C(F)(F)F)cn1)c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000515317050 1006389127 /nfs/dbraw/zinc/38/91/27/1006389127.db2.gz IVGDYHXVIUFOQT-UHFFFAOYSA-N 0 2 402.785 3.513 20 0 HHADLN CCCOc1c(Cl)cc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cc1OC ZINC000534439610 1006416865 /nfs/dbraw/zinc/41/68/65/1006416865.db2.gz GZADGCUAJYSJQC-UHFFFAOYSA-N 0 2 404.879 3.725 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCc2cccc(Br)c2C1 ZINC000531796335 1006435525 /nfs/dbraw/zinc/43/55/25/1006435525.db2.gz VUOAHKZERZUEPY-UHFFFAOYSA-N 0 2 415.316 3.980 20 0 HHADLN CC(=O)Nc1cccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)c1C ZINC000534497011 1006495525 /nfs/dbraw/zinc/49/55/25/1006495525.db2.gz PRPNMUSASJGJDH-UHFFFAOYSA-N 0 2 419.247 3.795 20 0 HHADLN O=C(CC1(C(=O)[O-])Cc2ccccc2C1)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000534497489 1006495650 /nfs/dbraw/zinc/49/56/50/1006495650.db2.gz XCUAQRDZLWLJKO-UHFFFAOYSA-N 0 2 413.477 3.800 20 0 HHADLN COCc1cc(Cl)cc(S(=O)(=O)Nc2cnn(Cc3ccc(OC)cc3)c2)c1 ZINC000515564333 1006538867 /nfs/dbraw/zinc/53/88/67/1006538867.db2.gz BYLNGZABTVXYBW-UHFFFAOYSA-N 0 2 421.906 3.541 20 0 HHADLN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cccc(Cl)c1OC(C)C ZINC000534686397 1006667401 /nfs/dbraw/zinc/66/74/01/1006667401.db2.gz LXFSYHMMUILTPQ-UHFFFAOYSA-N 0 2 401.843 3.854 20 0 HHADLN CCNC(=O)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)nc2ccccc21 ZINC000538452658 1006722109 /nfs/dbraw/zinc/72/21/09/1006722109.db2.gz XASQRKPMWOCCBV-UHFFFAOYSA-N 0 2 405.479 3.939 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(CC(C)(C)C)cs3)cc2C[C@H]1C ZINC000538454760 1006723550 /nfs/dbraw/zinc/72/35/50/1006723550.db2.gz OLEPQPSZNYODPR-GFCCVEGCSA-N 0 2 407.561 3.830 20 0 HHADLN COC(=O)C1(c2ccc(S(=O)(=O)Nc3cc(CC4CCCCC4)n[nH]3)cc2)CC1 ZINC000538455366 1006724311 /nfs/dbraw/zinc/72/43/11/1006724311.db2.gz SIVCFFAABIOYFG-UHFFFAOYSA-N 0 2 417.531 3.538 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2[nH]nc(-c3ccccc3)c2C)c1 ZINC000534799405 1006802868 /nfs/dbraw/zinc/80/28/68/1006802868.db2.gz ZBOFJFQTQBIZJF-UHFFFAOYSA-N 0 2 405.863 3.626 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(CCCc3cccs3)o2)cc1C ZINC000515977980 1006803690 /nfs/dbraw/zinc/80/36/90/1006803690.db2.gz GDHZGFQQIJOFSK-UHFFFAOYSA-N 0 2 407.517 3.814 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)c2cn(C3CC3)c3cc(Cl)c(F)cc3c2=O)s[nH]1 ZINC000532410754 1006856535 /nfs/dbraw/zinc/85/65/35/1006856535.db2.gz KBDXEBZKJBIAMP-UHFFFAOYSA-N 0 2 420.897 3.952 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(C3CCCCC3)nn2C)c2cccnc12 ZINC000532416854 1006863065 /nfs/dbraw/zinc/86/30/65/1006863065.db2.gz IQRMZWMMJVPCLD-UHFFFAOYSA-N 0 2 400.504 3.825 20 0 HHADLN COC[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000532482100 1006921463 /nfs/dbraw/zinc/92/14/63/1006921463.db2.gz NJFYGPIMMXDMTK-FGZHOGPDSA-N 0 2 421.507 3.971 20 0 HHADLN CN1C(=O)c2ccc(NS(=O)(=O)c3csc4ccc(Cl)cc43)cc2C1=O ZINC000534942875 1006984132 /nfs/dbraw/zinc/98/41/32/1006984132.db2.gz SGNBYDOOWARQOH-UHFFFAOYSA-N 0 2 406.872 3.581 20 0 HHADLN CCc1ccc2nc(NS(=O)(=O)c3ccc4c(c3)N(C(C)=O)CCC4)sc2c1 ZINC000534943539 1006985267 /nfs/dbraw/zinc/98/52/67/1006985267.db2.gz DDYDPGZAGXMRRQ-UHFFFAOYSA-N 0 2 415.540 3.959 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)cc1Cl ZINC000538713440 1006987238 /nfs/dbraw/zinc/98/72/38/1006987238.db2.gz CXUIEAKSLUSSJR-UHFFFAOYSA-N 0 2 416.952 3.526 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccc(Cl)c3cccnc23)c1C ZINC000532630334 1007052016 /nfs/dbraw/zinc/05/20/16/1007052016.db2.gz XOEYQXHLNOJAGV-UHFFFAOYSA-N 0 2 407.879 3.811 20 0 HHADLN CN(CC(=O)Nc1cc(Cl)cc(Cl)c1O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000538830833 1007103323 /nfs/dbraw/zinc/10/33/23/1007103323.db2.gz SYCQERMKXDJORK-UHFFFAOYSA-N 0 2 423.705 3.612 20 0 HHADLN COCCn1ccc2ccc(NS(=O)(=O)c3cc(Cl)ccc3C(=O)OC)cc21 ZINC000538840629 1007112821 /nfs/dbraw/zinc/11/28/21/1007112821.db2.gz ZKCKEUNYAYJIGX-UHFFFAOYSA-N 0 2 422.890 3.529 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)[C@@H]1C[C@@H]1c1cccc(Br)c1 ZINC000535174633 1007218930 /nfs/dbraw/zinc/21/89/30/1007218930.db2.gz OLTDFXMYPHCSTK-ZIAGYGMSSA-N 0 2 401.289 3.527 20 0 HHADLN CC[C@H](Cc1cccc(Br)c1)C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535175671 1007220590 /nfs/dbraw/zinc/22/05/90/1007220590.db2.gz SJSGVJCGHZNATQ-CYBMUJFWSA-N 0 2 417.332 3.992 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N[C@@H]1CC12CCCCC2 ZINC000538946611 1007231557 /nfs/dbraw/zinc/23/15/57/1007231557.db2.gz CWIYGDAAAYDFNN-OAHLLOKOSA-N 0 2 406.533 3.788 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc(C)c(Cc3ccccc3F)s2)c(C)o1 ZINC000532856813 1007245376 /nfs/dbraw/zinc/24/53/76/1007245376.db2.gz QCMHTVGKTJIFNL-UHFFFAOYSA-N 0 2 424.475 3.670 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc2c(cccc2Br)[nH]1 ZINC000535231624 1007285105 /nfs/dbraw/zinc/28/51/05/1007285105.db2.gz SFSYQGWJGDUFGT-UHFFFAOYSA-N 0 2 400.261 3.518 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2C)c2cccnc12 ZINC000532933197 1007306685 /nfs/dbraw/zinc/30/66/85/1007306685.db2.gz MMXYQJUMJUIYOA-UHFFFAOYSA-N 0 2 412.446 3.677 20 0 HHADLN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2scnc2-c2ccccc2)c1 ZINC000539105358 1007393386 /nfs/dbraw/zinc/39/33/86/1007393386.db2.gz GMEKPSRAKXAFOB-UHFFFAOYSA-N 0 2 422.553 3.631 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3ccc(OC(C)C)cc3)s2)c1 ZINC000539112282 1007398536 /nfs/dbraw/zinc/39/85/36/1007398536.db2.gz DIWBUYAZLUDHEV-UHFFFAOYSA-N 0 2 419.528 3.726 20 0 HHADLN CO[C@H](C)c1cccc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)c1 ZINC000517159324 1007470194 /nfs/dbraw/zinc/47/01/94/1007470194.db2.gz ULYOXFKCVCUFOA-SNVBAGLBSA-N 0 2 400.859 3.946 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1C1CC1 ZINC000535685625 1007717654 /nfs/dbraw/zinc/71/76/54/1007717654.db2.gz KEYPXVPDXFWSAV-KGLIPLIRSA-N 0 2 416.547 3.830 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1C1CC1 ZINC000535686899 1007718902 /nfs/dbraw/zinc/71/89/02/1007718902.db2.gz VPTVDHTWKNZIKO-CYBMUJFWSA-N 0 2 403.483 3.857 20 0 HHADLN O=C(COc1ccc(C(=O)c2ccccc2)cc1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000517553111 1007766355 /nfs/dbraw/zinc/76/63/55/1007766355.db2.gz LDWRLBDXKRBYHU-UHFFFAOYSA-N 0 2 421.503 3.937 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000517662997 1007876376 /nfs/dbraw/zinc/87/63/76/1007876376.db2.gz GZQROHUBTORVCT-UHFFFAOYSA-N 0 2 422.478 3.706 20 0 HHADLN CCc1nc(-c2ccccc2NS(=O)(=O)c2ccccc2OC(F)(F)F)n[nH]1 ZINC000535890853 1007910326 /nfs/dbraw/zinc/91/03/26/1007910326.db2.gz FUYWGVADHVLJRX-UHFFFAOYSA-N 0 2 412.393 3.734 20 0 HHADLN Cc1nn(-c2ccc(C(=O)N=c3nc(-c4cccnc4)[nH]s3)cc2)c(C)c1Cl ZINC000535927449 1007949755 /nfs/dbraw/zinc/94/97/55/1007949755.db2.gz BZCPOQQBRFAGJX-UHFFFAOYSA-N 0 2 410.890 3.730 20 0 HHADLN COc1ccc(C(=O)N2CCCC2)cc1NS(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000533689023 1008013449 /nfs/dbraw/zinc/01/34/49/1008013449.db2.gz COKLNBHCLHUGGK-UHFFFAOYSA-N 0 2 412.870 3.525 20 0 HHADLN Cc1cc(C(=O)NCC(C)C)ccc1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000517937523 1008064249 /nfs/dbraw/zinc/06/42/49/1008064249.db2.gz XNQDJKCBSWLCLF-UHFFFAOYSA-N 0 2 400.422 3.599 20 0 HHADLN Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1F ZINC000539764249 1008079397 /nfs/dbraw/zinc/07/93/97/1008079397.db2.gz AHNMJRNCEJTNTA-LJQANCHMSA-N 0 2 413.541 3.796 20 0 HHADLN Cc1cc(CCC(=O)N=c2nc(-c3cccnc3)[nH]s2)ccc1Br ZINC000533782854 1008105915 /nfs/dbraw/zinc/10/59/15/1008105915.db2.gz VIMZSZOLIKRGIH-UHFFFAOYSA-N 0 2 403.305 3.664 20 0 HHADLN O=S(=O)(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cccc(Cl)c1F ZINC000539813257 1008109799 /nfs/dbraw/zinc/10/97/99/1008109799.db2.gz MUQXZHMKKATLCE-UHFFFAOYSA-N 0 2 417.911 3.996 20 0 HHADLN O=c1nc(Cn2cc(Br)cn2)[nH]c2cc(-c3ccc(F)cc3)sc21 ZINC000533789629 1008112761 /nfs/dbraw/zinc/11/27/61/1008112761.db2.gz ZOXFNLQFYHCUTR-UHFFFAOYSA-N 0 2 405.252 3.798 20 0 HHADLN CC(C)(C)OC(=O)C1CCC(NC(=O)N=c2nc(-c3ccccc3)[nH]s2)CC1 ZINC000539885174 1008161324 /nfs/dbraw/zinc/16/13/24/1008161324.db2.gz FLOYENVISMZSLA-UHFFFAOYSA-N 0 2 402.520 3.649 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)nc1C1CC1 ZINC000533939275 1008220173 /nfs/dbraw/zinc/22/01/73/1008220173.db2.gz JCLFPQKJOBNJAD-UHFFFAOYSA-N 0 2 420.434 3.935 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1cccn(Cc2ccccc2)c1=O ZINC000518368434 1008278178 /nfs/dbraw/zinc/27/81/78/1008278178.db2.gz MJECLRXXGXIOGX-UHFFFAOYSA-N 0 2 422.897 3.743 20 0 HHADLN O=S(=O)(Cc1cccc(NS(=O)(=O)c2ccccc2F)c1)c1ccccc1 ZINC000518389403 1008285372 /nfs/dbraw/zinc/28/53/72/1008285372.db2.gz PZZBTVLCDKJFOV-UHFFFAOYSA-N 0 2 405.472 3.600 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2C(F)(F)F)cc1)c1ccncc1 ZINC000518433702 1008303544 /nfs/dbraw/zinc/30/35/44/1008303544.db2.gz ABUBPPMECXOGHD-UHFFFAOYSA-N 0 2 422.388 3.549 20 0 HHADLN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000518492748 1008327209 /nfs/dbraw/zinc/32/72/09/1008327209.db2.gz NKSHVVKGIZZYRR-UHFFFAOYSA-N 0 2 408.785 3.998 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2[nH]nc(-c3ccccc3)c2C)c1 ZINC000540210510 1008337121 /nfs/dbraw/zinc/33/71/21/1008337121.db2.gz BQMUXSNXECVJNH-UHFFFAOYSA-N 0 2 422.304 3.957 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC000518623300 1008369198 /nfs/dbraw/zinc/36/91/98/1008369198.db2.gz CLJFXLRKGJSNJA-MRXNPFEDSA-N 0 2 412.540 3.904 20 0 HHADLN CS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000540331954 1008384204 /nfs/dbraw/zinc/38/42/04/1008384204.db2.gz URXHFGMARFDTIA-UHFFFAOYSA-N 0 2 413.826 3.563 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2nnc(-c3ccccc3C)o2)c1 ZINC000518682614 1008390811 /nfs/dbraw/zinc/39/08/11/1008390811.db2.gz PHGXBPQXOFJYLR-UHFFFAOYSA-N 0 2 424.276 3.617 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1n[nH]c2ccc(Br)cc21 ZINC000518888738 1008460625 /nfs/dbraw/zinc/46/06/25/1008460625.db2.gz AZEGZONOIYIDOH-UHFFFAOYSA-N 0 2 400.261 3.518 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3nccnc3Sc3ccccc3)s[nH]2)c1 ZINC000543144189 1008717656 /nfs/dbraw/zinc/71/76/56/1008717656.db2.gz YUFWRFFDGMRVFS-UHFFFAOYSA-N 0 2 421.507 3.829 20 0 HHADLN CC(C)(CC(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1ccccc1 ZINC000519309817 1008720114 /nfs/dbraw/zinc/72/01/14/1008720114.db2.gz MZBBDBQNZASDDP-UHFFFAOYSA-N 0 2 416.528 3.645 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(Oc2ncccn2)cc1C ZINC000543164120 1008739565 /nfs/dbraw/zinc/73/95/65/1008739565.db2.gz USMHOYWPDMGJDM-UHFFFAOYSA-N 0 2 415.519 3.847 20 0 HHADLN COc1ccc(Cn2cc(NS(=O)(=O)c3ccc(C(=O)C(C)C)cc3)cn2)cc1 ZINC000519633860 1008935808 /nfs/dbraw/zinc/93/58/08/1008935808.db2.gz IUCRNUSGAIQTAP-UHFFFAOYSA-N 0 2 413.499 3.580 20 0 HHADLN Cn1ccc([C@H](NC(=O)N=c2nc(C(C)(C)C)[nH]s2)c2ccc(Cl)cc2)n1 ZINC000545869376 1008958371 /nfs/dbraw/zinc/95/83/71/1008958371.db2.gz JRNWQHWAYMUEQT-CQSZACIVSA-N 0 2 404.927 3.556 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1nnc(C2CC2)n1CCc1ccccc1 ZINC000549545173 1009163809 /nfs/dbraw/zinc/16/38/09/1009163809.db2.gz OKZRYRNVDSOZBY-UHFFFAOYSA-N 0 2 406.515 3.745 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H]3CCCOc4ccc(F)cc43)s[nH]2)c1 ZINC000543616964 1009222938 /nfs/dbraw/zinc/22/29/38/1009222938.db2.gz QJAMYQUOXLNMRH-INIZCTEOSA-N 0 2 414.462 3.810 20 0 HHADLN Cc1ccccc1C(NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccccc1C ZINC000546205100 1009231934 /nfs/dbraw/zinc/23/19/34/1009231934.db2.gz CXZPWONQLGJDNM-UHFFFAOYSA-N 0 2 422.554 3.719 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ncc(-c3ccccc3F)s2)c1C ZINC000549607168 1009234993 /nfs/dbraw/zinc/23/49/93/1009234993.db2.gz ISIFWZCIVPQBBZ-UHFFFAOYSA-N 0 2 423.491 3.872 20 0 HHADLN CCc1nc(NS(=O)(=O)c2cc(Br)cc3c2OCC3)sc1C ZINC000543639717 1009244114 /nfs/dbraw/zinc/24/41/14/1009244114.db2.gz OOIVMRRTCMREEC-UHFFFAOYSA-N 0 2 403.323 3.512 20 0 HHADLN Cc1nc2cc(NS(=O)(=O)c3cc(Br)cc4c3OCC4)ccc2o1 ZINC000543644071 1009249091 /nfs/dbraw/zinc/24/90/91/1009249091.db2.gz BJBMNPIOZKXWIZ-UHFFFAOYSA-N 0 2 409.261 3.634 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NC[C@@H](CCO)c1ccccc1 ZINC000543657686 1009265449 /nfs/dbraw/zinc/26/54/49/1009265449.db2.gz PVIVPBZZISHAFX-CQSZACIVSA-N 0 2 402.907 3.568 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NC[C@H](CCO)c1ccccc1 ZINC000543657683 1009265596 /nfs/dbraw/zinc/26/55/96/1009265596.db2.gz PVIVPBZZISHAFX-AWEZNQCLSA-N 0 2 402.907 3.568 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000543658572 1009266660 /nfs/dbraw/zinc/26/66/60/1009266660.db2.gz VJGGDNHRJKSSSJ-ZNMIVQPWSA-N 0 2 404.923 3.750 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)cn1 ZINC000543662724 1009271918 /nfs/dbraw/zinc/27/19/18/1009271918.db2.gz KDOWEVQYXBXACX-UHFFFAOYSA-N 0 2 420.878 3.862 20 0 HHADLN Cc1ccc(F)cc1C(=O)C(=O)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000543767834 1009338775 /nfs/dbraw/zinc/33/87/75/1009338775.db2.gz ASBVEVMURVJXEP-UHFFFAOYSA-N 0 2 403.211 3.503 20 0 HHADLN CCOCCCn1c([C@@H](C)CC)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000549763053 1009378723 /nfs/dbraw/zinc/37/87/23/1009378723.db2.gz FGCLUYNPYSQMNQ-ZDUSSCGKSA-N 0 2 404.540 3.565 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ncc(-c2ccccc2F)s1 ZINC000549979419 1009583446 /nfs/dbraw/zinc/58/34/46/1009583446.db2.gz RTKOFDWFEKZYAZ-UHFFFAOYSA-N 0 2 421.475 3.717 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1cnn(CCC(F)(F)F)c1 ZINC000544073426 1009678412 /nfs/dbraw/zinc/67/84/12/1009678412.db2.gz CISWJKQTCXIUIZ-UHFFFAOYSA-N 0 2 401.801 3.682 20 0 HHADLN O=S(=O)(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1ccc(Cl)cc1F ZINC000520627020 1009702964 /nfs/dbraw/zinc/70/29/64/1009702964.db2.gz DDZAVLHMOCFXSC-UHFFFAOYSA-N 0 2 416.755 3.954 20 0 HHADLN C[C@H](C(F)(F)F)S(=O)(=O)[N-]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000546769064 1009736719 /nfs/dbraw/zinc/73/67/19/1009736719.db2.gz NHKHIACMPCGXNH-OAHLLOKOSA-N 0 2 423.460 3.969 20 0 HHADLN COc1ccc(Oc2ccc(CCNS(=O)(=O)[C@H](C)C(F)(F)F)cc2)cc1 ZINC000546779908 1009745165 /nfs/dbraw/zinc/74/51/65/1009745165.db2.gz XLHUUAXYZFPAAM-CYBMUJFWSA-N 0 2 403.422 3.900 20 0 HHADLN Cc1cccc([C@H]([N-]S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C(F)(F)F)c1 ZINC000546792034 1009757998 /nfs/dbraw/zinc/75/79/98/1009757998.db2.gz AHVNBLPKOLCXSM-SFHVURJKSA-N 0 2 409.433 3.822 20 0 HHADLN CC(C)C(=O)Nc1nc(C=C(O)Nc2nc(-c3ccccc3Cl)ns2)cs1 ZINC000521082889 1010098888 /nfs/dbraw/zinc/09/88/88/1010098888.db2.gz DUAXRHKXVXPUHW-UHFFFAOYSA-N 0 2 421.935 3.513 20 0 HHADLN CC[C@@H](c1ccccc1)N(CC)C(=O)C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000544488397 1010112213 /nfs/dbraw/zinc/11/22/13/1010112213.db2.gz YYMLXERAYKTZGC-SFHVURJKSA-N 0 2 424.526 3.574 20 0 HHADLN COCc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)n1 ZINC000550736303 1010141748 /nfs/dbraw/zinc/14/17/48/1010141748.db2.gz JLVAPYMCPOJNSI-CQSZACIVSA-N 0 2 422.514 3.712 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3cccc4c3CN(c3ccccn3)C4)cc12 ZINC000547241577 1010185935 /nfs/dbraw/zinc/18/59/35/1010185935.db2.gz LRYRLVSLTWMGNA-UHFFFAOYSA-N 0 2 421.482 3.501 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(C3Cc4ccccc4C3)no2)cc1 ZINC000544558193 1010186933 /nfs/dbraw/zinc/18/69/33/1010186933.db2.gz LMIXLVNRCVVXEO-UHFFFAOYSA-N 0 2 424.507 3.876 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)nc1C ZINC000550816288 1010199568 /nfs/dbraw/zinc/19/95/68/1010199568.db2.gz ZRIJEBXTOQWSDS-UHFFFAOYSA-N 0 2 400.481 3.610 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)=N1 ZINC000544584225 1010210949 /nfs/dbraw/zinc/21/09/49/1010210949.db2.gz RZJZIDZDLWMGPJ-PXNSSMCTSA-N 0 2 413.424 3.815 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NC[C@@H](OC)c3ccc(Cl)cc3)s[nH]2)c1 ZINC000544592998 1010219171 /nfs/dbraw/zinc/21/91/71/1010219171.db2.gz XMTHYXFJGRNVCB-MRXNPFEDSA-N 0 2 418.906 3.798 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C)[C@H]3CCCc4nc(C)sc43)s[nH]2)c1 ZINC000544594377 1010219921 /nfs/dbraw/zinc/21/99/21/1010219921.db2.gz RFLIWAFXPBPASO-HNNXBMFYSA-N 0 2 415.544 3.942 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H]3CCCOc4cc(F)ccc43)s[nH]2)c1 ZINC000544594990 1010220906 /nfs/dbraw/zinc/22/09/06/1010220906.db2.gz STGLUTPKACWPCK-MRXNPFEDSA-N 0 2 414.462 3.810 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCc3coc(-c4ccc(C)cc4)n3)s[nH]2)c1 ZINC000544599344 1010225497 /nfs/dbraw/zinc/22/54/97/1010225497.db2.gz PRVYBLUYFFXJOY-UHFFFAOYSA-N 0 2 421.482 3.921 20 0 HHADLN CC(C)c1noc(CCCNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)n1 ZINC000544635838 1010260486 /nfs/dbraw/zinc/26/04/86/1010260486.db2.gz SGLLCRNTBHYBPO-UHFFFAOYSA-N 0 2 406.899 3.541 20 0 HHADLN CCC(C)(C)OCc1ccccc1NS(=O)(=O)c1cc(C(=O)OC)ccc1OC ZINC000544648462 1010272925 /nfs/dbraw/zinc/27/29/25/1010272925.db2.gz ZDHCOLDXJZFYHV-UHFFFAOYSA-N 0 2 421.515 3.988 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nc(C3CCCC3)c(C(=O)OC)s2)cc1 ZINC000544664181 1010283167 /nfs/dbraw/zinc/28/31/67/1010283167.db2.gz GALDYMTZTDIMSN-UHFFFAOYSA-N 0 2 410.517 3.787 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1S(C)(=O)=O ZINC000550993421 1010304624 /nfs/dbraw/zinc/30/46/24/1010304624.db2.gz WIFQJBCDUBBSLA-UHFFFAOYSA-N 0 2 400.330 3.568 20 0 HHADLN CC1CCN(Cc2csc(NS(=O)(=O)c3cc(Cl)ccc3F)n2)CC1 ZINC000551025485 1010324027 /nfs/dbraw/zinc/32/40/27/1010324027.db2.gz GCQQOLDZAYPYNZ-UHFFFAOYSA-N 0 2 403.932 3.968 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(F)c(F)c2)n(-c2nc3ccccc3s2)n1 ZINC000551049655 1010335947 /nfs/dbraw/zinc/33/59/47/1010335947.db2.gz JOWFBWVFYMYBJR-UHFFFAOYSA-N 0 2 406.439 3.869 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)COc1c(C)cccc1C ZINC000521383249 1010347048 /nfs/dbraw/zinc/34/70/48/1010347048.db2.gz VVCHXXARBDFAMQ-OAQYLSRUSA-N 0 2 421.541 3.922 20 0 HHADLN COc1cc([C@H](C)NS(=O)(=O)[C@@H](C)C(F)(F)F)ccc1OCc1ccncc1 ZINC000544748970 1010352150 /nfs/dbraw/zinc/35/21/50/1010352150.db2.gz CMYXPAFOWRPJAC-STQMWFEESA-N 0 2 418.437 3.600 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc3cccnc32)cc1C(F)(F)F ZINC000551115661 1010379264 /nfs/dbraw/zinc/37/92/64/1010379264.db2.gz ZPARFNDOHBNXPO-UHFFFAOYSA-N 0 2 410.373 3.841 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1NC(=O)c1ccncc1 ZINC000521537593 1010447580 /nfs/dbraw/zinc/44/75/80/1010447580.db2.gz LWJZKTPRUIOZGM-UHFFFAOYSA-N 0 2 421.400 3.860 20 0 HHADLN Cc1cc(C)n(-c2ccc(C(=O)N=c3nc(-c4cccc(Cl)c4)[nH]s3)cn2)n1 ZINC000521549212 1010455977 /nfs/dbraw/zinc/45/59/77/1010455977.db2.gz ODWKIPAQVRGUFJ-UHFFFAOYSA-N 0 2 410.890 3.730 20 0 HHADLN O=S(=O)(Nc1noc(-c2cccs2)n1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000547951998 1010479847 /nfs/dbraw/zinc/47/98/47/1010479847.db2.gz ONMPPDPECQEGCL-UHFFFAOYSA-N 0 2 409.798 4.271 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)c1 ZINC000521678155 1010543844 /nfs/dbraw/zinc/54/38/44/1010543844.db2.gz TZNBAVVLFNQVAX-OAHLLOKOSA-N 0 2 416.499 3.799 20 0 HHADLN Cc1ccc(-c2nsc(NS(=O)(=O)c3c(C)n(C)c4ccccc43)n2)s1 ZINC000551388353 1010555458 /nfs/dbraw/zinc/55/54/58/1010555458.db2.gz JXSCQUSMBGCMOD-UHFFFAOYSA-N 0 2 404.542 3.598 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1c(F)ccc(F)c1F ZINC000548193133 1010558603 /nfs/dbraw/zinc/55/86/03/1010558603.db2.gz YPZVAICPGRJAAW-UHFFFAOYSA-N 0 2 413.402 3.614 20 0 HHADLN Cc1ccc(OCc2nc(NS(=O)(=O)c3cccc4c(C)ccnc43)no2)cc1 ZINC000548280354 1010578215 /nfs/dbraw/zinc/57/82/15/1010578215.db2.gz UYGRVQPPYYDISS-UHFFFAOYSA-N 0 2 410.455 3.614 20 0 HHADLN CC(=O)c1cccc(O[C@@H](C)C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c1 ZINC000521729943 1010578726 /nfs/dbraw/zinc/57/87/26/1010578726.db2.gz TUHIFNJLJASOQY-LBPRGKRZSA-N 0 2 401.875 3.889 20 0 HHADLN CCCOc1cccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)c1 ZINC000551476876 1010611799 /nfs/dbraw/zinc/61/17/99/1010611799.db2.gz BXVQBCUBVGXDBX-UHFFFAOYSA-N 0 2 413.879 3.725 20 0 HHADLN COC(=O)c1ccc(CN(C)C(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)cc1 ZINC000548410543 1010618753 /nfs/dbraw/zinc/61/87/53/1010618753.db2.gz SONFXNKPYKEILI-UHFFFAOYSA-N 0 2 407.470 3.760 20 0 HHADLN Cc1ccccc1S(=O)(=O)Nc1ccccc1S(=O)(=O)Nc1ccccc1 ZINC000545214556 1010687071 /nfs/dbraw/zinc/68/70/71/1010687071.db2.gz SMJIXOFKJAMOAN-UHFFFAOYSA-N 0 2 402.497 3.597 20 0 HHADLN CC(C)Cn1ncc2cc(C(=O)N=c3nc(-c4ccccc4Cl)[nH]s3)cnc21 ZINC000521934462 1010722313 /nfs/dbraw/zinc/72/23/13/1010722313.db2.gz MONBSUMJLFKDPD-UHFFFAOYSA-N 0 2 412.906 3.933 20 0 HHADLN O=S(=O)(Nc1nnc(CCc2ccccc2)o1)c1ccccc1OC(F)(F)F ZINC000522059266 1010784735 /nfs/dbraw/zinc/78/47/35/1010784735.db2.gz YCAICEQTOMIXAV-UHFFFAOYSA-N 0 2 413.377 3.554 20 0 HHADLN O=C(COC[C@H]1CCCO1)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000522231382 1010878385 /nfs/dbraw/zinc/87/83/85/1010878385.db2.gz UHYVJLOIHQBXRH-GOSISDBHSA-N 0 2 411.483 3.553 20 0 HHADLN COC(=O)C[C@H](C)SCc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[nH]1 ZINC000522333809 1010936748 /nfs/dbraw/zinc/93/67/48/1010936748.db2.gz ULJUFWFURHKHMX-NSHDSACASA-N 0 2 404.513 3.845 20 0 HHADLN C[C@H](CC(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1cccc(F)c1 ZINC000522564902 1011083169 /nfs/dbraw/zinc/08/31/69/1011083169.db2.gz PNQZVIFGLCPYSI-GFCCVEGCSA-N 0 2 420.491 3.610 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ncc(Cc2ccc(C)c(Cl)c2)s1 ZINC000522900243 1011345597 /nfs/dbraw/zinc/34/55/97/1011345597.db2.gz LIPSWGMQDVFKEA-UHFFFAOYSA-N 0 2 410.952 3.847 20 0 HHADLN O=S(=O)(Nc1ccccc1Nc1ccc(F)cc1)c1cnn(C2CCOCC2)c1 ZINC000540696844 1011349840 /nfs/dbraw/zinc/34/98/40/1011349840.db2.gz SUKJWYDHPWQLLB-UHFFFAOYSA-N 0 2 416.478 3.918 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000536284848 1011461975 /nfs/dbraw/zinc/46/19/75/1011461975.db2.gz HQCAGTOAYOKZJF-AWEZNQCLSA-N 0 2 408.405 3.501 20 0 HHADLN CC(C)Cn1ncc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1C(F)F ZINC000536302572 1011492352 /nfs/dbraw/zinc/49/23/52/1011492352.db2.gz QALCOHHDRXHOQW-UHFFFAOYSA-N 0 2 412.462 3.507 20 0 HHADLN COc1cccc(-c2cc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)n(C)n2)c1 ZINC000536458062 1011675807 /nfs/dbraw/zinc/67/58/07/1011675807.db2.gz DBJHWTMZETZKJJ-UHFFFAOYSA-N 0 2 407.879 3.559 20 0 HHADLN CCc1ccc2nc(NS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)sc2c1 ZINC000536458240 1011675944 /nfs/dbraw/zinc/67/59/44/1011675944.db2.gz FKPDSDDRERZAMA-UHFFFAOYSA-N 0 2 401.513 3.889 20 0 HHADLN CC(C)(C)n1cc(C(=O)C(=O)Nc2cc(Br)cc(Cl)c2O)cn1 ZINC000536460255 1011679736 /nfs/dbraw/zinc/67/97/36/1011679736.db2.gz NNQBAOHDMAAXEQ-UHFFFAOYSA-N 0 2 400.660 3.581 20 0 HHADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)c1 ZINC000541070208 1011709717 /nfs/dbraw/zinc/70/97/17/1011709717.db2.gz DWLCLDJEUCUIMZ-UHFFFAOYSA-N 0 2 421.475 3.548 20 0 HHADLN COc1cccc(Cc2nnc(NC(=O)c3cccc(Br)c3O)s2)c1 ZINC000523305607 1011783357 /nfs/dbraw/zinc/78/33/57/1011783357.db2.gz KPMVFOQWORXIAQ-UHFFFAOYSA-N 0 2 420.288 3.858 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3F)s2)c(C)c1F ZINC000541173423 1011845701 /nfs/dbraw/zinc/84/57/01/1011845701.db2.gz PALOBDAMYSUXII-UHFFFAOYSA-N 0 2 411.455 3.525 20 0 HHADLN Cn1cnnc1Sc1ccc(NC(=O)c2cccc(Br)c2O)cc1 ZINC000536690725 1011856492 /nfs/dbraw/zinc/85/64/92/1011856492.db2.gz XWHUUJPADKBGKP-UHFFFAOYSA-N 0 2 405.277 3.687 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)n(-c2ccccc2C)n1 ZINC000541290950 1011989756 /nfs/dbraw/zinc/98/97/56/1011989756.db2.gz PAKKNGMIFKCUCL-UHFFFAOYSA-N 0 2 407.442 3.934 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)COc1ccc(Cl)c2cccnc12 ZINC000551948156 1012030651 /nfs/dbraw/zinc/03/06/51/1012030651.db2.gz QNLDGMREBNUPEF-UHFFFAOYSA-N 0 2 409.833 3.705 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1csc(C2CC2)n1 ZINC000552002707 1012043620 /nfs/dbraw/zinc/04/36/20/1012043620.db2.gz BLZRWVKCTHWTGP-KRWDZBQOSA-N 0 2 410.543 3.873 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1OCCC(C)C ZINC000523534822 1012066496 /nfs/dbraw/zinc/06/64/96/1012066496.db2.gz PREVEEXTASAROO-UHFFFAOYSA-N 0 2 411.545 3.624 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@H]3CCO[C@@H]3c3ccnn3C(C)C)=N2)c1 ZINC000552064424 1012082823 /nfs/dbraw/zinc/08/28/23/1012082823.db2.gz NVZRKKZUZYAYLH-AVRDEDQJSA-N 0 2 423.517 3.739 20 0 HHADLN COc1ccc(Cn2ncc(C)c2NS(=O)(=O)c2cc(C)c(C)s2)cc1OC ZINC000536893420 1012145794 /nfs/dbraw/zinc/14/57/94/1012145794.db2.gz MATDJYJETDNFET-UHFFFAOYSA-N 0 2 421.544 3.736 20 0 HHADLN COC(=O)c1cccc(CS(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1 ZINC000536893402 1012145917 /nfs/dbraw/zinc/14/59/17/1012145917.db2.gz MSZJVJCVGGWCCP-UHFFFAOYSA-N 0 2 420.487 3.986 20 0 HHADLN C[C@H](Oc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O)c1ccccc1 ZINC000523729872 1012346317 /nfs/dbraw/zinc/34/63/17/1012346317.db2.gz RDPKEFCBQLBQJR-AWEZNQCLSA-N 0 2 422.462 3.511 20 0 HHADLN COC(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2cccc3cccnc32)c1 ZINC000523792754 1012451648 /nfs/dbraw/zinc/45/16/48/1012451648.db2.gz PEQAZBKOAZBKRB-UHFFFAOYSA-N 0 2 400.456 3.609 20 0 HHADLN Cc1cccc(Oc2ncccc2NS(=O)(=O)c2ccc3c(c2)C(=O)NCC3)c1C ZINC000523822165 1012505570 /nfs/dbraw/zinc/50/55/70/1012505570.db2.gz JSZSNHCTTPFBAM-UHFFFAOYSA-N 0 2 423.494 3.577 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)Cc1cccnc1C ZINC000552543290 1012557650 /nfs/dbraw/zinc/55/76/50/1012557650.db2.gz VKOKWZTXMBIYFW-UHFFFAOYSA-N 0 2 413.474 3.820 20 0 HHADLN CCOC(=O)c1c(NS(=O)(=O)c2cccc(C)c2Cl)cc(OC)cc1OC ZINC000537194667 1012609182 /nfs/dbraw/zinc/60/91/82/1012609182.db2.gz ADTKCBOJZQXNGN-UHFFFAOYSA-N 0 2 413.879 3.643 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2C)c1 ZINC000537195750 1012611962 /nfs/dbraw/zinc/61/19/62/1012611962.db2.gz VAKWLCHGVFFAAL-UHFFFAOYSA-N 0 2 418.515 3.573 20 0 HHADLN CCOc1ccc2c(c1)CCN(C(=O)N=c1nc(-c3cccc(OC)c3)[nH]s1)C2 ZINC000541759002 1012618974 /nfs/dbraw/zinc/61/89/74/1012618974.db2.gz HMBMTIJHEWHLRE-UHFFFAOYSA-N 0 2 410.499 3.625 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)Nc3ccc(OCC(F)F)cc3)s[nH]2)c1 ZINC000541758131 1012619417 /nfs/dbraw/zinc/61/94/17/1012619417.db2.gz NPFXAIHRBRUIQI-UHFFFAOYSA-N 0 2 406.414 3.924 20 0 HHADLN CCOCCC1(CNC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)CCCC1 ZINC000541758826 1012619442 /nfs/dbraw/zinc/61/94/42/1012619442.db2.gz PRAQFRQMPZBONM-UHFFFAOYSA-N 0 2 404.536 3.744 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC(N(C)c4ccccc4)CC3)s[nH]2)c1 ZINC000541764183 1012628217 /nfs/dbraw/zinc/62/82/17/1012628217.db2.gz RVHWAQNNWWLCRO-UHFFFAOYSA-N 0 2 423.542 3.768 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000552628263 1012629685 /nfs/dbraw/zinc/62/96/85/1012629685.db2.gz HFSDRTNPMIGREW-UHFFFAOYSA-N 0 2 420.450 3.929 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000541797448 1012673777 /nfs/dbraw/zinc/67/37/77/1012673777.db2.gz XCMFJLXZWRIZSB-MRXNPFEDSA-N 0 2 416.890 3.591 20 0 HHADLN CCCc1cnc(NS(=O)(=O)c2cc(Br)c(C)cc2OC)s1 ZINC000537351319 1012817980 /nfs/dbraw/zinc/81/79/80/1012817980.db2.gz LADMCDZMRSWHFL-UHFFFAOYSA-N 0 2 405.339 3.976 20 0 HHADLN Cc1ccc2c(n1)[nH]cc(C(=O)N1CCO[C@@H](c3ccccc3C(F)(F)F)C1)c2=O ZINC000541978282 1012847559 /nfs/dbraw/zinc/84/75/59/1012847559.db2.gz LKOSSBBGHNMXJD-QGZVFWFLSA-N 0 2 417.387 3.876 20 0 HHADLN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cnc2c(c1)CCCC2 ZINC000542002820 1012883041 /nfs/dbraw/zinc/88/30/41/1012883041.db2.gz HMRKCPPNSQWERH-UHFFFAOYSA-N 0 2 414.405 3.567 20 0 HHADLN CCOCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000542007963 1012891116 /nfs/dbraw/zinc/89/11/16/1012891116.db2.gz AZZINPOHMCCGIL-UHFFFAOYSA-N 0 2 424.828 3.970 20 0 HHADLN CCOC(=O)COc1ccc(-c2nc(=O)c3snc(-c4ccccc4)c3[nH]2)cc1 ZINC000542088447 1013011174 /nfs/dbraw/zinc/01/11/74/1013011174.db2.gz JBPNLTQBDFMRBD-UHFFFAOYSA-N 0 2 407.451 3.656 20 0 HHADLN O=C(NCc1ccc(-c2nc(-c3ccc(Br)o3)no2)o1)C(F)(F)F ZINC000904626264 1071831609 /nfs/dbraw/zinc/83/16/09/1071831609.db2.gz ZFOISGZEDISPJQ-UHFFFAOYSA-N 0 2 406.114 3.531 20 0 HHADLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000611226407 1071884126 /nfs/dbraw/zinc/88/41/26/1071884126.db2.gz OGSAGWGSFGOQJA-UHFFFAOYSA-N 0 2 423.604 3.758 20 0 HHADLN Cc1cccc(Oc2ncccc2NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1C ZINC000614882418 1071957116 /nfs/dbraw/zinc/95/71/16/1071957116.db2.gz YANBEKHLZFFNLV-UHFFFAOYSA-N 0 2 409.467 3.786 20 0 HHADLN COc1cc(C)ccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000488215961 1072130902 /nfs/dbraw/zinc/13/09/02/1072130902.db2.gz HDSWYOBNHSEBNC-AWEZNQCLSA-N 0 2 411.907 3.873 20 0 HHADLN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)c1 ZINC000760320751 1072245613 /nfs/dbraw/zinc/24/56/13/1072245613.db2.gz DJJHTZQMIIVHKZ-UHFFFAOYSA-N 0 2 415.905 3.507 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2cccc3c2COC3=O)s1)c1ccccc1 ZINC000760321266 1072246467 /nfs/dbraw/zinc/24/64/67/1072246467.db2.gz UIJDZPIUOQKZDI-CYBMUJFWSA-N 0 2 415.496 3.551 20 0 HHADLN O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cc(Cl)cc(Cl)c1O ZINC000760426832 1072338632 /nfs/dbraw/zinc/33/86/32/1072338632.db2.gz OVQNMBIKOLLVDW-UHFFFAOYSA-N 0 2 401.633 3.717 20 0 HHADLN CCOC(=O)c1sc2ncc(S(=O)(=O)Nc3c(C)cccc3OC)cc2c1C ZINC000571751663 1072719140 /nfs/dbraw/zinc/71/91/40/1072719140.db2.gz VZSWWQWXQNNFIA-UHFFFAOYSA-N 0 2 420.512 3.899 20 0 HHADLN O=S(=O)(Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2)c1ccc2c(c1)COC2 ZINC000479125458 1072733304 /nfs/dbraw/zinc/73/33/04/1072733304.db2.gz VMDMOQAIHILDEE-UHFFFAOYSA-N 0 2 415.902 3.845 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccc(Cl)c2)ns1)c1ccc2ncsc2c1 ZINC000479136415 1072746832 /nfs/dbraw/zinc/74/68/32/1072746832.db2.gz UUORNYLELKIIEH-UHFFFAOYSA-N 0 2 408.917 3.691 20 0 HHADLN O=S(=O)(Nc1nnc(/C=C/c2ccco2)s1)c1ccccc1Br ZINC000479119112 1072755544 /nfs/dbraw/zinc/75/55/44/1072755544.db2.gz NJSWIQWFZWJTJD-BQYQJAHWSA-N 0 2 412.290 3.865 20 0 HHADLN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1cc(C2CC2)nc(C)n1 ZINC000479123958 1072761382 /nfs/dbraw/zinc/76/13/82/1072761382.db2.gz CJOASNJOYKSGFM-UHFFFAOYSA-N 0 2 400.273 3.673 20 0 HHADLN CCC[C@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)OC)c(C)o3)c2C1 ZINC000479140950 1072762824 /nfs/dbraw/zinc/76/28/24/1072762824.db2.gz DTNJDLIEHOOWJI-ZDUSSCGKSA-N 0 2 406.504 3.680 20 0 HHADLN CCC[C@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)OC)c(C)o3)c2C1 ZINC000479140950 1072762837 /nfs/dbraw/zinc/76/28/37/1072762837.db2.gz DTNJDLIEHOOWJI-ZDUSSCGKSA-N 0 2 406.504 3.680 20 0 HHADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1nc(C)cc(C2CC2)n1 ZINC000479140533 1072779083 /nfs/dbraw/zinc/77/90/83/1072779083.db2.gz XLCVOOBDHDNZPK-UHFFFAOYSA-N 0 2 412.309 3.543 20 0 HHADLN CC(C)COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000479405379 1072826310 /nfs/dbraw/zinc/82/63/10/1072826310.db2.gz HURYYRJDILYZBL-UHFFFAOYSA-N 0 2 420.506 3.897 20 0 HHADLN C[NH+](C)C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(Cl)cc1 ZINC000555113350 1073169272 /nfs/dbraw/zinc/16/92/72/1073169272.db2.gz YCUMDEJTAIARJJ-HXUWFJFHSA-N 0 2 415.969 3.827 20 0 HHADLN O=c1[nH]c2cccc(NS(=O)(=O)c3cccc(Cl)c3Br)c2o1 ZINC000555128802 1073178446 /nfs/dbraw/zinc/17/84/46/1073178446.db2.gz CZRVWSYWTKBHDL-UHFFFAOYSA-N 0 2 403.641 3.750 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)c(OC(C)C)c(F)c2)c(Cl)c1 ZINC000572157590 1073191820 /nfs/dbraw/zinc/19/18/20/1073191820.db2.gz CCMPWFYLJRZMFP-UHFFFAOYSA-N 0 2 419.833 3.993 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)sc1C1CC1 ZINC000572238020 1073232236 /nfs/dbraw/zinc/23/22/36/1073232236.db2.gz XREUCYUSVLGHRS-UHFFFAOYSA-N 0 2 420.434 3.935 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Br)c2C)c(F)c1 ZINC000588834313 1073295485 /nfs/dbraw/zinc/29/54/85/1073295485.db2.gz RSIFPNHNVJOSIB-UHFFFAOYSA-N 0 2 401.257 3.656 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000588856392 1073309055 /nfs/dbraw/zinc/30/90/55/1073309055.db2.gz XJUSNCQZGGZMBY-UHFFFAOYSA-N 0 2 419.890 3.812 20 0 HHADLN CCOC(=O)C(C)(C)c1csc(NS(=O)(=O)c2c(C)ccc3cccnc32)n1 ZINC000588948963 1073355625 /nfs/dbraw/zinc/35/56/25/1073355625.db2.gz YXRCXLYWFVBAMQ-UHFFFAOYSA-N 0 2 419.528 3.641 20 0 HHADLN Cc1cc(S(=O)(=O)N[C@@H](c2nccs2)C(F)(F)F)sc1Br ZINC000555414824 1073438871 /nfs/dbraw/zinc/43/88/71/1073438871.db2.gz KLXVBVPZHFTEID-ZETCQYMHSA-N 0 2 421.285 3.857 20 0 HHADLN CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000590404542 1073788694 /nfs/dbraw/zinc/78/86/94/1073788694.db2.gz FCGGAOQSDAFZIO-UHFFFAOYSA-N 0 2 409.465 3.667 20 0 HHADLN O=S(=O)(Nc1ccnn1CCc1ccccc1)c1cccc(Br)c1 ZINC000555950888 1073997287 /nfs/dbraw/zinc/99/72/87/1073997287.db2.gz MRNINNDGHLLDSE-UHFFFAOYSA-N 0 2 406.305 3.689 20 0 HHADLN COc1c(C)cc(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)o2)cc1C ZINC000556045285 1074065358 /nfs/dbraw/zinc/06/53/58/1074065358.db2.gz OQURGYQSLIOZDX-UHFFFAOYSA-N 0 2 401.488 3.822 20 0 HHADLN C[C@](CO)(NC(=O)N=c1nc(-c2ccccc2)[nH]s1)c1cccc(C(F)(F)F)c1 ZINC000591400467 1074293774 /nfs/dbraw/zinc/29/37/74/1074293774.db2.gz MAHQTWSVGAKYBX-GOSISDBHSA-N 0 2 422.432 3.675 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)c(F)c1 ZINC000591680324 1074483494 /nfs/dbraw/zinc/48/34/94/1074483494.db2.gz OAODQITVSPBZRK-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN CCOc1cc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)ccc1OC ZINC000591679361 1074483603 /nfs/dbraw/zinc/48/36/03/1074483603.db2.gz HBTBCKOZGZDTFZ-UHFFFAOYSA-N 0 2 416.858 3.646 20 0 HHADLN COc1ccc(NC(C)=O)c(NS(=O)(=O)c2cc(Cl)c(OC)cc2Cl)c1 ZINC000591796900 1074546818 /nfs/dbraw/zinc/54/68/18/1074546818.db2.gz AGUFHBCVYHJWJE-UHFFFAOYSA-N 0 2 419.286 3.770 20 0 HHADLN O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cccc(Br)c1O ZINC000592832564 1075117507 /nfs/dbraw/zinc/11/75/07/1075117507.db2.gz LGZOWWOSQRVKCS-HNNXBMFYSA-N 0 2 405.248 3.525 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3cnn(CC(C)C)c3C(F)F)cc2[nH]c1=S ZINC000761009729 1075158382 /nfs/dbraw/zinc/15/83/82/1075158382.db2.gz CZHCUNKVNGJDCQ-UHFFFAOYSA-N 0 2 421.473 3.748 20 0 HHADLN Cn1ccc2ccc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)cc2c1=O ZINC000574060820 1075164604 /nfs/dbraw/zinc/16/46/04/1075164604.db2.gz FWLPSQDXHSHGRV-UHFFFAOYSA-N 0 2 401.246 3.785 20 0 HHADLN CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc3c(s2)CCCC3(C)C)c1 ZINC000574093727 1075166023 /nfs/dbraw/zinc/16/60/23/1075166023.db2.gz MJTICKSTQKTVSR-UHFFFAOYSA-N 0 2 407.561 3.650 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000596898256 1075594189 /nfs/dbraw/zinc/59/41/89/1075594189.db2.gz AXVMCMOKASJAKG-UHFFFAOYSA-N 0 2 418.507 3.734 20 0 HHADLN CC(C)c1noc(-c2ccc(NS(=O)(=O)c3c(Cl)nc4ccccn43)cc2)n1 ZINC000303209799 971562478 /nfs/dbraw/zinc/56/24/78/971562478.db2.gz QPPGXPGYFDAUEE-UHFFFAOYSA-N 0 2 417.878 3.962 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1cccc2ncccc21 ZINC000303256053 971583853 /nfs/dbraw/zinc/58/38/53/971583853.db2.gz DFNZOKOJCRQEHV-OAHLLOKOSA-N 0 2 402.447 3.733 20 0 HHADLN O=S(=O)(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1cccc(F)c1F ZINC000303577656 971869300 /nfs/dbraw/zinc/86/93/00/971869300.db2.gz QFVRFKQPRTUGFU-UHFFFAOYSA-N 0 2 407.398 3.605 20 0 HHADLN COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000003561037 960548938 /nfs/dbraw/zinc/54/89/38/960548938.db2.gz SDUNXOZQYKKBOZ-UHFFFAOYSA-N 0 2 417.512 3.524 20 0 HHADLN O=C(c1cc(Br)cc(Cl)c1[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000303950184 972531940 /nfs/dbraw/zinc/53/19/40/972531940.db2.gz YZVOIVGNPUCFMO-UHFFFAOYSA-N 0 2 409.711 3.766 20 0 HHADLN Cc1cc(N(C)C)ccc1NS(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000537651958 1013212473 /nfs/dbraw/zinc/21/24/73/1013212473.db2.gz LQUGBMJKOSGMJK-UHFFFAOYSA-N 0 2 423.604 3.628 20 0 HHADLN COc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 ZINC000007505204 961219751 /nfs/dbraw/zinc/21/97/51/961219751.db2.gz LUAQXAFSRZFLKI-UHFFFAOYSA-N 0 2 405.457 3.836 20 0 HHADLN Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)c1ccc(COc3ccccc3)o1)C2 ZINC000014416812 962503039 /nfs/dbraw/zinc/50/30/39/962503039.db2.gz SOCRDPZKTHFVIK-FQEVSTJZSA-N 0 2 408.479 3.645 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)NCCc3ccc(C(C)C)cc3)cc2[nH]c1=S ZINC000018011027 963250784 /nfs/dbraw/zinc/25/07/84/963250784.db2.gz OECFBZKZENWOIA-UHFFFAOYSA-N 0 2 407.539 3.967 20 0 HHADLN Cc1noc(C(C)C)c1C(=O)NNC(=O)COc1ccccc1Cc1ccccc1 ZINC000021199045 963431829 /nfs/dbraw/zinc/43/18/29/963431829.db2.gz RYLUXJWKIXCEJA-UHFFFAOYSA-N 0 2 407.470 3.537 20 0 HHADLN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2csc(-c3ccc(C)cc3)n2)C1=O ZINC000024641483 964038217 /nfs/dbraw/zinc/03/82/17/964038217.db2.gz MYPUNYZHMPYAOC-QFIPXVFZSA-N 0 2 420.494 3.621 20 0 HHADLN N#C[C@@H](C(=O)CCCc1c[nH]c2ccccc12)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049391415 964163807 /nfs/dbraw/zinc/16/38/07/964163807.db2.gz XRQFREFODDCKPR-SFHVURJKSA-N 0 2 411.469 3.878 20 0 HHADLN N#C[C@@H](C(=O)CCSc1ccccc1F)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049394689 964166216 /nfs/dbraw/zinc/16/62/16/964166216.db2.gz NMLWCEJUGIRKJV-AWEZNQCLSA-N 0 2 408.462 3.695 20 0 HHADLN Cc1ccc(C(=O)COC(=O)CSc2[nH]c(=O)cc(C(F)(F)F)c2C#N)s1 ZINC000025535803 964299427 /nfs/dbraw/zinc/29/94/27/964299427.db2.gz RWYZMSNHJHVXPQ-UHFFFAOYSA-N 0 2 416.402 3.566 20 0 HHADLN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000026529734 964590334 /nfs/dbraw/zinc/59/03/34/964590334.db2.gz JIOAERCBDQKMRK-UHFFFAOYSA-N 0 2 424.327 3.515 20 0 HHADLN CCc1ccc(C(=O)CCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1 ZINC000026632176 964629132 /nfs/dbraw/zinc/62/91/32/964629132.db2.gz YSCRRFMXUDDVII-UHFFFAOYSA-N 0 2 420.465 3.845 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)s1 ZINC000052023573 964783236 /nfs/dbraw/zinc/78/32/36/964783236.db2.gz VJIIVKVYIDZRDT-UHFFFAOYSA-N 0 2 401.575 3.825 20 0 HHADLN N#Cc1c(C(F)(F)F)cc(=O)[nH]c1SCC(=O)OC[C@H]1CC1(Cl)Cl ZINC000028307818 965072618 /nfs/dbraw/zinc/07/26/18/965072618.db2.gz NWJUAZUQUZOGIC-ZCFIWIBFSA-N 0 2 401.193 3.507 20 0 HHADLN O=C(Cc1nc(=O)c2sc(-c3ccc(Br)cc3)cc2[nH]1)N1CCCC1 ZINC000053847381 965290180 /nfs/dbraw/zinc/29/01/80/965290180.db2.gz VRCYYEZSFYGWTH-UHFFFAOYSA-N 0 2 418.316 3.579 20 0 HHADLN Cc1cccc(NC(=O)Cc2nc(=O)c3sc(-c4ccc5c(c4)OCO5)cc3[nH]2)c1 ZINC000053854558 965295377 /nfs/dbraw/zinc/29/53/77/965295377.db2.gz HRZWVGCEHMCBDB-UHFFFAOYSA-N 0 2 419.462 3.870 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)NCc3ccc(OCCC)cc3)cc2[nH]c1=S ZINC000053948934 965324959 /nfs/dbraw/zinc/32/49/59/965324959.db2.gz ZWEQOQPUODKIQC-UHFFFAOYSA-N 0 2 409.511 3.590 20 0 HHADLN C[C@H](CCc1ccccc1)NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000029657500 965448888 /nfs/dbraw/zinc/44/88/88/965448888.db2.gz XSWLEZSHELUMIY-QGZVFWFLSA-N 0 2 407.470 3.824 20 0 HHADLN CC(C)Oc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)s2)cc1 ZINC000538001764 1013576157 /nfs/dbraw/zinc/57/61/57/1013576157.db2.gz GBOICUZKKMKJDG-UHFFFAOYSA-N 0 2 407.492 3.856 20 0 HHADLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000057689223 965524032 /nfs/dbraw/zinc/52/40/32/965524032.db2.gz ZZSWKRGHUVFUGI-UHFFFAOYSA-N 0 2 401.469 3.926 20 0 HHADLN Cc1cc(C)c(C)c(S(=O)(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1C ZINC000057706841 965528460 /nfs/dbraw/zinc/52/84/60/965528460.db2.gz CYTVYAQMQGSJJD-UHFFFAOYSA-N 0 2 424.569 3.734 20 0 HHADLN Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)n2)cc1 ZINC000057720053 965530210 /nfs/dbraw/zinc/53/02/10/965530210.db2.gz MWENPSHQNDBTHE-UHFFFAOYSA-N 0 2 402.497 3.503 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)cc1Br ZINC000057734565 965533319 /nfs/dbraw/zinc/53/33/19/965533319.db2.gz SOMQMYWLTCRMAE-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000029992710 965587755 /nfs/dbraw/zinc/58/77/55/965587755.db2.gz RRRREBGCFGDMRQ-UHFFFAOYSA-N 0 2 417.288 3.501 20 0 HHADLN Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cc(-c2cccs2)on1 ZINC000054671645 965601499 /nfs/dbraw/zinc/60/14/99/965601499.db2.gz FTSZQDVPHUMWDP-UHFFFAOYSA-N 0 2 410.480 3.910 20 0 HHADLN Cc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c(C)n1Cc1ccccc1 ZINC000030032200 965605008 /nfs/dbraw/zinc/60/50/08/965605008.db2.gz NHNWUVOVWMWHDB-UHFFFAOYSA-N 0 2 406.511 3.723 20 0 HHADLN Cc1ccc(-c2cnc(CCC(=O)NNC(=O)c3cc(-c4ccccc4)on3)o2)cc1 ZINC000054683014 965610611 /nfs/dbraw/zinc/61/06/11/965610611.db2.gz QEJFWUUTNLBUAB-UHFFFAOYSA-N 0 2 416.437 3.699 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)sc1C ZINC000538012564 1013585601 /nfs/dbraw/zinc/58/56/01/1013585601.db2.gz SLVWJAQNGLLYTQ-UHFFFAOYSA-N 0 2 401.575 3.879 20 0 HHADLN CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2cc(C)c(C)s2)ccc1C ZINC000538014445 1013586105 /nfs/dbraw/zinc/58/61/05/1013586105.db2.gz ZHMOOJFSMLBVNM-UHFFFAOYSA-N 0 2 416.590 3.505 20 0 HHADLN CCCCC[C@H](C)NC(=O)CSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1 ZINC000054749482 965631797 /nfs/dbraw/zinc/63/17/97/965631797.db2.gz GQXCTWVPUGRTGQ-AWEZNQCLSA-N 0 2 414.531 3.907 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NCc3ccc(C[S@](C)=O)cc3)=N2)cc1 ZINC000553747281 1013586704 /nfs/dbraw/zinc/58/67/04/1013586704.db2.gz QWBQUTSRJBIQIC-LJAQVGFWSA-N 0 2 411.527 3.510 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NCc3ccc(C[S@@](C)=O)cc3)=N2)cc1 ZINC000553747279 1013586786 /nfs/dbraw/zinc/58/67/86/1013586786.db2.gz QWBQUTSRJBIQIC-GDLZYMKVSA-N 0 2 411.527 3.510 20 0 HHADLN CC(C)c1cccc(/N=C2\NC(=O)[C@@H](CC(=O)NCCc3ccccc3F)S2)c1 ZINC000055117892 965761895 /nfs/dbraw/zinc/76/18/95/965761895.db2.gz CVVPTCDCDJUOMX-LJQANCHMSA-N 0 2 413.518 3.917 20 0 HHADLN CCc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)n2)cc1 ZINC000058704852 965852964 /nfs/dbraw/zinc/85/29/64/965852964.db2.gz XKZIHZQETNAUIY-UHFFFAOYSA-N 0 2 416.524 3.757 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H]3CCCO[C@@H]3c3ccc(C)cc3)s[nH]2)c1 ZINC000542686902 1013606696 /nfs/dbraw/zinc/60/66/96/1013606696.db2.gz MSBHASYAXUJOCV-RBUKOAKNSA-N 0 2 424.526 3.986 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](C)[C@@H](OC)c3ccc(F)cc3)s[nH]2)c1 ZINC000542687111 1013607299 /nfs/dbraw/zinc/60/72/99/1013607299.db2.gz XLBQIEOSDYYCDP-SJKOYZFVSA-N 0 2 416.478 3.672 20 0 HHADLN O=C1COc2ccc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)cc2N1 ZINC000055569489 965924449 /nfs/dbraw/zinc/92/44/49/965924449.db2.gz PBUDKYQIBRBYSJ-UHFFFAOYSA-N 0 2 407.662 3.779 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)s1 ZINC000055615647 965963396 /nfs/dbraw/zinc/96/33/96/965963396.db2.gz HOCOSBBFEMYPCW-UHFFFAOYSA-N 0 2 406.451 3.712 20 0 HHADLN Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccccc2OCCC(N)=O)c1Cl ZINC000055631415 965975149 /nfs/dbraw/zinc/97/51/49/965975149.db2.gz QMKIZYULDLOKNP-UHFFFAOYSA-N 0 2 417.314 3.665 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)c1 ZINC000055651378 965998575 /nfs/dbraw/zinc/99/85/75/965998575.db2.gz RQZFAVXYWKFIPR-OAHLLOKOSA-N 0 2 418.515 3.519 20 0 HHADLN O=C(Nc1ccncc1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000060365707 966113575 /nfs/dbraw/zinc/11/35/75/966113575.db2.gz KZUULUMKFTYIRQ-UHFFFAOYSA-N 0 2 407.373 3.552 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])sc1-c1ccccc1 ZINC000060499272 966174764 /nfs/dbraw/zinc/17/47/64/966174764.db2.gz ANGPAOMLMGWMOR-UHFFFAOYSA-N 0 2 403.485 3.866 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)c([N+](=O)[O-])c1 ZINC000060510176 966181154 /nfs/dbraw/zinc/18/11/54/966181154.db2.gz WIUURVFMDBDKNR-UHFFFAOYSA-N 0 2 405.457 3.836 20 0 HHADLN CCOC(=O)COc1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000032095619 966192904 /nfs/dbraw/zinc/19/29/04/966192904.db2.gz MSYPVWZQJMTGOG-UHFFFAOYSA-N 0 2 410.300 3.798 20 0 HHADLN O=C(NNC(=O)N1CCC[C@H]1Cc1ccccc1)c1ccc(COc2ccccc2)o1 ZINC000060602352 966224637 /nfs/dbraw/zinc/22/46/37/966224637.db2.gz GTWOTWDEVGJDJU-IBGZPJMESA-N 0 2 419.481 3.920 20 0 HHADLN CO[C@H](C)c1nc(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cs1 ZINC000542726045 1013637650 /nfs/dbraw/zinc/63/76/50/1013637650.db2.gz IVPDZEDMRRZHPM-SECBINFHSA-N 0 2 409.924 3.766 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N[C@H](CCCO)c1ccccc1 ZINC000542726002 1013637677 /nfs/dbraw/zinc/63/76/77/1013637677.db2.gz HIGITRBFODOVEJ-MRXNPFEDSA-N 0 2 402.907 3.916 20 0 HHADLN Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)cn2)n1 ZINC000032595544 966290270 /nfs/dbraw/zinc/29/02/70/966290270.db2.gz WPYJCBHFXNSOQS-UHFFFAOYSA-N 0 2 412.393 3.584 20 0 HHADLN CCN(CC)C(=O)COc1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000032628246 966296288 /nfs/dbraw/zinc/29/62/88/966296288.db2.gz VHYCZEOXWHPGIE-UHFFFAOYSA-N 0 2 414.886 3.527 20 0 HHADLN O=S(=O)(Nc1cccc2cccnc21)c1cc2c(cc1Br)OCCO2 ZINC000060838107 966304511 /nfs/dbraw/zinc/30/45/11/966304511.db2.gz ONXMUKNVDKAXDH-UHFFFAOYSA-N 0 2 421.272 3.569 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCc1cc(=O)[nH]c2ccccc12 ZINC000542730679 1013643207 /nfs/dbraw/zinc/64/32/07/1013643207.db2.gz YPHREQVZPFBQDY-UHFFFAOYSA-N 0 2 411.874 3.856 20 0 HHADLN O=S(=O)(Nc1cc(F)c(F)c(F)c1)c1cc(Br)cnc1Cl ZINC000061118703 966375231 /nfs/dbraw/zinc/37/52/31/966375231.db2.gz VACPTAFCHOCBNM-UHFFFAOYSA-N 0 2 401.591 3.716 20 0 HHADLN O=S(=O)(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccc2c(c1)OCCO2 ZINC000041105284 966523284 /nfs/dbraw/zinc/52/32/84/966523284.db2.gz XLFOXLULOCZUTP-UHFFFAOYSA-N 0 2 410.423 3.660 20 0 HHADLN N#CC(C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1nc2ccccc2s1 ZINC000041498561 966581536 /nfs/dbraw/zinc/58/15/36/966581536.db2.gz PWVGAXOJBKZCDB-ZWKOTPCHSA-N 0 2 403.507 3.954 20 0 HHADLN N#C[C@H](C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1nc2ccccc2s1 ZINC000041498561 966581540 /nfs/dbraw/zinc/58/15/40/966581540.db2.gz PWVGAXOJBKZCDB-ZWKOTPCHSA-N 0 2 403.507 3.954 20 0 HHADLN N#C[C@H](C(=O)CCN1C(=O)COc2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000041534285 966590487 /nfs/dbraw/zinc/59/04/87/966590487.db2.gz YZLWGTKOLITGHV-MRXNPFEDSA-N 0 2 403.463 3.802 20 0 HHADLN N#C[C@@H](C(=O)CCn1cnc2ccccc2c1=O)c1nc(-c2ccccc2)cs1 ZINC000041533143 966590694 /nfs/dbraw/zinc/59/06/94/966590694.db2.gz RRDUTSTTXWWVDA-KRWDZBQOSA-N 0 2 400.463 3.787 20 0 HHADLN O=C1c2ccccc2N[C@H](c2cc([N+](=O)[O-])ccc2O)N1Cc1ccc2c(c1)OCO2 ZINC000041864153 966654007 /nfs/dbraw/zinc/65/40/07/966654007.db2.gz KGESJHPRHHFMHU-NRFANRHFSA-N 0 2 419.393 3.796 20 0 HHADLN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C1 ZINC000553868510 1013666865 /nfs/dbraw/zinc/66/68/65/1013666865.db2.gz VDAIAHSPVDVPBK-OLZOCXBDSA-N 0 2 406.939 3.504 20 0 HHADLN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2nc3ccc(OC)cc3s2)cc1 ZINC000063146245 966760920 /nfs/dbraw/zinc/76/09/20/966760920.db2.gz HGSZOPAZQXBYSN-UHFFFAOYSA-N 0 2 419.528 3.588 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2[nH]c1=S ZINC000042705567 966832234 /nfs/dbraw/zinc/83/22/34/966832234.db2.gz NNVAQHLBQMRBAX-UHFFFAOYSA-N 0 2 405.564 3.666 20 0 HHADLN Cc1cc(C)c(CNC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c(C)c1 ZINC000063799107 966961896 /nfs/dbraw/zinc/96/18/96/966961896.db2.gz FPNXBHUESKSSFB-UHFFFAOYSA-N 0 2 407.470 3.928 20 0 HHADLN CC(C)S(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000538134184 1013695962 /nfs/dbraw/zinc/69/59/62/1013695962.db2.gz YDZOULLUNWPVIZ-UHFFFAOYSA-N 0 2 407.435 3.688 20 0 HHADLN Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)cc1C ZINC000064478118 967204262 /nfs/dbraw/zinc/20/42/62/967204262.db2.gz SCJYUUWANWGMMR-HOTGVXAUSA-N 0 2 419.503 3.626 20 0 HHADLN COC(=O)c1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1 ZINC000065094706 967375648 /nfs/dbraw/zinc/37/56/48/967375648.db2.gz ZJDJPRLSMNUIKI-UHFFFAOYSA-N 0 2 400.232 3.878 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)NCCCO[C@@H](C)c3ccccc3)cc2[nH]c1=S ZINC000045872190 967581234 /nfs/dbraw/zinc/58/12/34/967581234.db2.gz BVQFCRUVDGUSCD-INIZCTEOSA-N 0 2 423.538 3.769 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)Nc3cc(C)ccc3F)cc2[nH]c1=S ZINC000045899703 967590466 /nfs/dbraw/zinc/59/04/66/967590466.db2.gz KQVVSAQBNYFLOP-UHFFFAOYSA-N 0 2 401.463 3.795 20 0 HHADLN C[C@@H]1CC[C@@]2(CCN(C(=O)Nc3cccc(S(=O)(=O)Nc4nccs4)c3)C2)C1 ZINC000542899703 1013742660 /nfs/dbraw/zinc/74/26/60/1013742660.db2.gz ANTIOLWTRILRJS-AUUYWEPGSA-N 0 2 420.560 3.988 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)Nc3nc(-c4ccco4)cs3)cc2[nH]c1=S ZINC000047171325 968075532 /nfs/dbraw/zinc/07/55/32/968075532.db2.gz JFGVYXNWYGSTNL-UHFFFAOYSA-N 0 2 410.480 3.840 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c1 ZINC000538298051 1013833531 /nfs/dbraw/zinc/83/35/31/1013833531.db2.gz DCEBFNRSGHRWHS-HHHXNRCGSA-N 0 2 417.508 3.509 20 0 HHADLN Cc1nc([C@@H](NC(=O)N=c2nc(C(C)(C)C)[nH]s2)c2ccc(Cl)cc2)no1 ZINC000554181935 1013841314 /nfs/dbraw/zinc/84/13/14/1013841314.db2.gz HCUSMHFWNTZHJW-LBPRGKRZSA-N 0 2 406.899 3.513 20 0 HHADLN CCCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(CC)c3=O)cc1 ZINC000103459560 969200182 /nfs/dbraw/zinc/20/01/82/969200182.db2.gz YACXPEDHVKZECM-UHFFFAOYSA-N 0 2 411.483 3.524 20 0 HHADLN COc1ccc(-c2n[nH]c(NC(=O)c3nc(-c4ccccc4)oc3C)n2)c(OC)c1 ZINC000109387909 969510569 /nfs/dbraw/zinc/51/05/69/969510569.db2.gz FAOVJZDUBFANMM-UHFFFAOYSA-N 0 2 405.414 3.705 20 0 HHADLN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000110212673 969638300 /nfs/dbraw/zinc/63/83/00/969638300.db2.gz PKDGLKRYUWMBSM-UHFFFAOYSA-N 0 2 402.303 3.671 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccccc2Sc2nccn2C)cc1OC ZINC000111117266 969779879 /nfs/dbraw/zinc/77/98/79/969779879.db2.gz NATYYGKSALHDBN-UHFFFAOYSA-N 0 2 423.491 3.528 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@@H](C)C[C@H](C)C1 ZINC000138176698 969983981 /nfs/dbraw/zinc/98/39/81/969983981.db2.gz OHORQZXEQRMVQE-GJZGRUSLSA-N 0 2 419.503 3.887 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)O[C@@H](C)c3cccc(NC(C)=O)c3)cc2[nH]c1=S ZINC000139064337 970020105 /nfs/dbraw/zinc/02/01/05/970020105.db2.gz RJVWITPWOAOLDK-LBPRGKRZSA-N 0 2 411.483 3.955 20 0 HHADLN N#Cc1ccc(S(=O)(=O)Nc2cnc(Cl)c(Br)c2)c(Cl)c1 ZINC000231688932 970139366 /nfs/dbraw/zinc/13/93/66/970139366.db2.gz LYAWOPQDPNKXCT-UHFFFAOYSA-N 0 2 407.076 3.823 20 0 HHADLN CC(C)N(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000147859393 970343775 /nfs/dbraw/zinc/34/37/75/970343775.db2.gz NQTWUZOZYGDQMR-UHFFFAOYSA-N 0 2 415.540 3.995 20 0 HHADLN CN(C)C(=O)c1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1 ZINC000149968902 970420055 /nfs/dbraw/zinc/42/00/55/970420055.db2.gz CHOJXDLBUZRBMB-UHFFFAOYSA-N 0 2 413.275 3.793 20 0 HHADLN Cc1cc(C)nc(N=NCc2cc(Br)c(O)c(Br)c2)n1 ZINC000254758199 970579623 /nfs/dbraw/zinc/57/96/23/970579623.db2.gz GPSAZPLLFMJFSF-UHFFFAOYSA-N 0 2 400.074 3.770 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)c1 ZINC000554689469 1014014017 /nfs/dbraw/zinc/01/40/17/1014014017.db2.gz KTFIPTYNEBPPDC-LBPRGKRZSA-N 0 2 419.421 3.972 20 0 HHADLN C[C@@H]1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccccc2Cl)c3=O)C1 ZINC000261383843 970640542 /nfs/dbraw/zinc/64/05/42/970640542.db2.gz IDXRZRBZONBWOI-CYBMUJFWSA-N 0 2 413.930 3.869 20 0 HHADLN Cc1ccc(CS(=O)(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 ZINC000554725680 1014032498 /nfs/dbraw/zinc/03/24/98/1014032498.db2.gz HZFCACSMMMBMKT-UHFFFAOYSA-N 0 2 413.524 3.945 20 0 HHADLN CCc1c([O-])nc(SCc2cn3cccc(C)c3[nH+]2)n(-c2ccccc2OC)c1=O ZINC000554733249 1014034179 /nfs/dbraw/zinc/03/41/79/1014034179.db2.gz CXMRDYDRBOTIDO-UHFFFAOYSA-N 0 2 422.510 3.758 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccc(I)cc2C)c1F ZINC000313226109 972633508 /nfs/dbraw/zinc/63/35/08/972633508.db2.gz IHJJXUYXIRCQCN-UHFFFAOYSA-N 0 2 405.232 3.848 20 0 HHADLN Cc1cc(NS(=O)(=O)c2c(Cl)nc3ccccn32)ccc1Br ZINC000315487289 972645318 /nfs/dbraw/zinc/64/53/18/972645318.db2.gz QNPOMNGMLUDPAT-UHFFFAOYSA-N 0 2 400.685 3.859 20 0 HHADLN COC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(F)cc1Br ZINC000320200628 972677841 /nfs/dbraw/zinc/67/78/41/972677841.db2.gz HTHARNXXFQLUDG-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN Cc1cc(C)c([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Br)cnc1Cl ZINC000322556151 972700246 /nfs/dbraw/zinc/70/02/46/972700246.db2.gz NJXAINMKADLOED-UHFFFAOYSA-N 0 2 420.672 3.823 20 0 HHADLN COC(=O)c1ccccc1S(=O)(=O)Nc1cc(F)c(Br)c(Cl)c1 ZINC000323643257 972712141 /nfs/dbraw/zinc/71/21/41/972712141.db2.gz SHVRBDVZOVNHFH-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN COC(=O)CCCc1csc(NS(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000325226076 972729013 /nfs/dbraw/zinc/72/90/13/972729013.db2.gz SDVHOHZWILLOGX-UHFFFAOYSA-N 0 2 409.316 3.746 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N(C)Cc2cscn2)cc1 ZINC000409464012 972910849 /nfs/dbraw/zinc/91/08/49/972910849.db2.gz NSFSBVUNFQVILX-UHFFFAOYSA-N 0 2 407.542 3.586 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)cc1 ZINC000409485057 972935175 /nfs/dbraw/zinc/93/51/75/972935175.db2.gz NCCHJMZIEQJYEC-UHFFFAOYSA-N 0 2 402.497 3.711 20 0 HHADLN O=C1CCCc2cc(S(=O)(=O)Nc3nc(Cc4ccccc4)cs3)ccc2N1 ZINC000409493321 972944258 /nfs/dbraw/zinc/94/42/58/972944258.db2.gz UQCXSOZKSVGGIF-UHFFFAOYSA-N 0 2 413.524 3.810 20 0 HHADLN O=C(CCC(=O)c1ccccc1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000409542251 972998695 /nfs/dbraw/zinc/99/86/95/972998695.db2.gz FVRVGUVCSAIBGD-UHFFFAOYSA-N 0 2 417.238 3.975 20 0 HHADLN CCOc1ccc(CC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cc1 ZINC000409544396 973001562 /nfs/dbraw/zinc/00/15/62/973001562.db2.gz RIAQQVPPGOCXOS-UHFFFAOYSA-N 0 2 419.254 3.953 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)cc1 ZINC000409639748 973088807 /nfs/dbraw/zinc/08/88/07/973088807.db2.gz RZDIJBYCCHOYEB-UHFFFAOYSA-N 0 2 414.455 3.791 20 0 HHADLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)sc2C1 ZINC000409669358 973129709 /nfs/dbraw/zinc/12/97/09/973129709.db2.gz VBDSIFJNHCVDME-ZDUSSCGKSA-N 0 2 419.572 3.741 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000409829000 973300339 /nfs/dbraw/zinc/30/03/39/973300339.db2.gz CCXUSTLPTAUQEO-UHFFFAOYSA-N 0 2 417.372 3.948 20 0 HHADLN CC1(C)Cc2cccc(S(=O)(=O)Nc3nc(CN4CCCCC4)cs3)c2O1 ZINC000410320799 973867875 /nfs/dbraw/zinc/86/78/75/973867875.db2.gz HONOLRDJNDRVJY-UHFFFAOYSA-N 0 2 407.561 3.643 20 0 HHADLN C[C@@H]1CCCN(Cc2csc(NS(=O)(=O)c3cccc4c3OC(C)(C)C4)n2)C1 ZINC000410329426 973898969 /nfs/dbraw/zinc/89/89/69/973898969.db2.gz YWZICVDLWJNXJF-CQSZACIVSA-N 0 2 421.588 3.889 20 0 HHADLN O=S(=O)(Nc1cc(-c2ccsc2)nn1-c1ccccc1)c1cncc(F)c1 ZINC000410342115 973927316 /nfs/dbraw/zinc/92/73/16/973927316.db2.gz ZXLYVQCZPUASMA-UHFFFAOYSA-N 0 2 400.460 3.936 20 0 HHADLN COCCCOc1cccc(NS(=O)(=O)c2cccc(Br)c2F)c1 ZINC000410381413 973979357 /nfs/dbraw/zinc/97/93/57/973979357.db2.gz KVUHSSONIIGLFB-UHFFFAOYSA-N 0 2 418.284 3.804 20 0 HHADLN CCc1ncc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)cn1 ZINC000410384350 973982365 /nfs/dbraw/zinc/98/23/65/973982365.db2.gz UKOGIUCGXDMUND-UHFFFAOYSA-N 0 2 410.215 3.621 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccnc2-c2csc(C)c2)cc1OC ZINC000410400663 974000274 /nfs/dbraw/zinc/00/02/74/974000274.db2.gz LTECLAUCQQCBNC-UHFFFAOYSA-N 0 2 418.496 3.715 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2OC)cc1OC ZINC000410402318 974002026 /nfs/dbraw/zinc/00/20/26/974002026.db2.gz ZCNCKUNIDXOPHV-UHFFFAOYSA-N 0 2 420.270 3.598 20 0 HHADLN Cc1nsc(C)c1-c1noc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)n1 ZINC000426621691 974567967 /nfs/dbraw/zinc/56/79/67/974567967.db2.gz YHCMLFCWYSSOGM-UHFFFAOYSA-N 0 2 419.513 3.734 20 0 HHADLN O=C([O-])[C@@H]([NH2+]Cc1ncc(Br)cc1Br)c1ccc(F)cc1 ZINC000426775945 974651841 /nfs/dbraw/zinc/65/18/41/974651841.db2.gz VVHFRLBBULTTJW-ZDUSSCGKSA-N 0 2 418.060 3.661 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NC[C@H](Cc3ccccc3)C(F)(F)F)=N2)cc1 ZINC000427090719 974894324 /nfs/dbraw/zinc/89/43/24/974894324.db2.gz ZTGLZDDRJNYTBB-HNNXBMFYSA-N 0 2 419.403 3.738 20 0 HHADLN CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 ZINC000427111797 974912927 /nfs/dbraw/zinc/91/29/27/974912927.db2.gz VUZMUMCYJKQTDB-UHFFFAOYSA-N 0 2 420.384 3.583 20 0 HHADLN COc1c(F)cc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1F ZINC000427123111 974922077 /nfs/dbraw/zinc/92/20/77/974922077.db2.gz VLPUBAPIZSYSFV-UHFFFAOYSA-N 0 2 401.284 3.812 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)cnn1C ZINC000427214371 974983244 /nfs/dbraw/zinc/98/32/44/974983244.db2.gz ZEDCPFAUEDXHKH-HXUWFJFHSA-N 0 2 424.526 3.507 20 0 HHADLN COc1ccccc1CSc1ccccc1NS(=O)(=O)c1cnn(C)c1C ZINC000427251563 975005697 /nfs/dbraw/zinc/00/56/97/975005697.db2.gz CUGMCEOCFDWJRJ-UHFFFAOYSA-N 0 2 403.529 3.830 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)ccc1C(=O)N(C)C ZINC000427283813 975024117 /nfs/dbraw/zinc/02/41/17/975024117.db2.gz ZIMOVOPEDSDOIU-UHFFFAOYSA-N 0 2 420.384 3.535 20 0 HHADLN Cc1cc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)ccc2n(C)c1=O ZINC000427308252 975041308 /nfs/dbraw/zinc/04/13/08/975041308.db2.gz MMRCGMDVKJJEPK-UHFFFAOYSA-N 0 2 414.380 3.806 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2cc(COC)cc(C(=O)OC)c2)c1C(C)C ZINC000427334417 975059739 /nfs/dbraw/zinc/05/97/39/975059739.db2.gz JCPCMRWVDVOCMG-UHFFFAOYSA-N 0 2 423.535 3.540 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)cnn1C ZINC000427347662 975069567 /nfs/dbraw/zinc/06/95/67/975069567.db2.gz QCKNYYPKMMUUAI-UHFFFAOYSA-N 0 2 402.423 3.672 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)co2)cc1I ZINC000427740660 975261876 /nfs/dbraw/zinc/26/18/76/975261876.db2.gz ARWDKZRIFMVAMZ-UHFFFAOYSA-N 0 2 420.272 3.686 20 0 HHADLN CCOC(=O)c1cc(COC)cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)c1 ZINC000427760570 975273340 /nfs/dbraw/zinc/27/33/40/975273340.db2.gz PVPVHPNOOVJYEG-UHFFFAOYSA-N 0 2 419.286 3.512 20 0 HHADLN Cc1nc2ccc(S(=O)(=O)Nc3nnc(Cc4ccccc4F)o3)cc2s1 ZINC000427768696 975278397 /nfs/dbraw/zinc/27/83/97/975278397.db2.gz SNXQXQIJZRTPPI-UHFFFAOYSA-N 0 2 404.448 3.518 20 0 HHADLN Cc1cc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)nc(C(F)(F)F)n1 ZINC000429462564 976734577 /nfs/dbraw/zinc/73/45/77/976734577.db2.gz BVLUBLPVXMSQAR-UHFFFAOYSA-N 0 2 417.178 4.148 20 0 HHADLN C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccc(O)c1 ZINC000429771074 977057690 /nfs/dbraw/zinc/05/76/90/977057690.db2.gz HGDJYSJZYVXTQT-GFCCVEGCSA-N 0 2 418.500 3.532 20 0 HHADLN CCOc1nc(C(F)(F)F)ccc1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000429780174 977063840 /nfs/dbraw/zinc/06/38/40/977063840.db2.gz BRLHONRQKXREEP-UHFFFAOYSA-N 0 2 411.771 4.190 20 0 HHADLN Cc1cc(N2C(=O)c3ccccc3C2=O)ccc1C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000429810114 977084620 /nfs/dbraw/zinc/08/46/20/977084620.db2.gz LHTDLYAEVNXGRS-UHFFFAOYSA-N 0 2 420.494 3.619 20 0 HHADLN Cc1c(NS(=O)(=O)Cc2ccc(F)c(Cl)c2)nnn1Cc1ccccc1F ZINC000430085388 977313010 /nfs/dbraw/zinc/31/30/10/977313010.db2.gz MODRBXIKPMRDDK-UHFFFAOYSA-N 0 2 412.849 3.508 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2-c2[nH+]cc3n2CCCC3)c1 ZINC000430371433 977508747 /nfs/dbraw/zinc/50/87/47/977508747.db2.gz PUZZUZGWICOLED-UHFFFAOYSA-N 0 2 413.499 3.704 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2-c2ncc3n2CCCC3)c1 ZINC000430371433 977508749 /nfs/dbraw/zinc/50/87/49/977508749.db2.gz PUZZUZGWICOLED-UHFFFAOYSA-N 0 2 413.499 3.704 20 0 HHADLN Cc1c([C@H](C)NC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)cnn1C ZINC000430438562 977549279 /nfs/dbraw/zinc/54/92/79/977549279.db2.gz MUGIXSYZURSRJP-AWEZNQCLSA-N 0 2 402.454 3.853 20 0 HHADLN CCOC(=O)C[C@@H](C)N(C)C(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430583366 977644534 /nfs/dbraw/zinc/64/45/34/977644534.db2.gz RNAGYQLDSCFJRM-OAHLLOKOSA-N 0 2 408.454 3.734 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)cc2)o1)c1cc(Br)ccc1F ZINC000430666182 977677562 /nfs/dbraw/zinc/67/75/62/977677562.db2.gz BWWCAYWZRDCTHZ-UHFFFAOYSA-N 0 2 416.203 3.578 20 0 HHADLN O=S(=O)(Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccccc1F ZINC000431183395 978082084 /nfs/dbraw/zinc/08/20/84/978082084.db2.gz QRVFEAMJEDAMHS-UHFFFAOYSA-N 0 2 424.251 3.971 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)cc1OC ZINC000431318811 978204193 /nfs/dbraw/zinc/20/41/93/978204193.db2.gz JUVJXHBEQPXPNM-UHFFFAOYSA-N 0 2 419.528 3.948 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cc(OC)cc(OC)c2)cnn1-c1ccc(C)cc1 ZINC000431899473 978586009 /nfs/dbraw/zinc/58/60/09/978586009.db2.gz BTBZOBNKZQVPHN-UHFFFAOYSA-N 0 2 415.515 3.951 20 0 HHADLN CS(=O)(=O)c1ccc(NS(=O)(=O)c2csc3ccc(Cl)cc32)cc1 ZINC000432192873 978707876 /nfs/dbraw/zinc/70/78/76/978707876.db2.gz PSYOOWJTDYDPHY-UHFFFAOYSA-N 0 2 401.918 3.759 20 0 HHADLN COc1ccccc1C[C@@H]1CCCN1C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000432306880 978755145 /nfs/dbraw/zinc/75/51/45/978755145.db2.gz KANZYUPGUMOUNO-SFHVURJKSA-N 0 2 409.461 3.881 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)=N1 ZINC000432329891 978763362 /nfs/dbraw/zinc/76/33/62/978763362.db2.gz VGGAGZLBZHGYQZ-GOSISDBHSA-N 0 2 423.444 3.774 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ncc(-c4ccc(F)cc4)s3)cnc2c1Cl ZINC000432366406 978780251 /nfs/dbraw/zinc/78/02/51/978780251.db2.gz AZHGDKNQWKGMMP-UHFFFAOYSA-N 0 2 423.882 3.755 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)n(Cc2ccccn2)n1 ZINC000432368687 978781494 /nfs/dbraw/zinc/78/14/94/978781494.db2.gz QQFRUDPXSJTOLQ-UHFFFAOYSA-N 0 2 410.421 3.763 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc(Br)ccc2C)n(Cc2ccccn2)n1 ZINC000432387232 978791707 /nfs/dbraw/zinc/79/17/07/978791707.db2.gz LVRJJEPONPMWNI-UHFFFAOYSA-N 0 2 421.320 3.507 20 0 HHADLN CC(C)Oc1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1C(N)=O ZINC000432457530 978821869 /nfs/dbraw/zinc/82/18/69/978821869.db2.gz BCTLTCXAAJLWFY-UHFFFAOYSA-N 0 2 403.287 3.680 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)c1Cl ZINC000432488259 978843101 /nfs/dbraw/zinc/84/31/01/978843101.db2.gz JKBXQJSBSAFGBM-UHFFFAOYSA-N 0 2 417.314 3.989 20 0 HHADLN O=S(=O)(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1ccc2c(c1)OCO2 ZINC000432533827 978870249 /nfs/dbraw/zinc/87/02/49/978870249.db2.gz AFAOBUYHKGFCQN-HNNXBMFYSA-N 0 2 415.496 3.536 20 0 HHADLN O=S(=O)(Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1ccc2c(c1)OCO2 ZINC000432533829 978870334 /nfs/dbraw/zinc/87/03/34/978870334.db2.gz AFAOBUYHKGFCQN-OAHLLOKOSA-N 0 2 415.496 3.536 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)cc1 ZINC000432539877 978873754 /nfs/dbraw/zinc/87/37/54/978873754.db2.gz DPOJJJIKZWXTCJ-QGZVFWFLSA-N 0 2 401.513 3.816 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2cc(C(C)C)nn2-c2ncccn2)cc1Cl ZINC000432950348 979020504 /nfs/dbraw/zinc/02/05/04/979020504.db2.gz OQMBIJYVRVLGFD-UHFFFAOYSA-N 0 2 421.910 3.557 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000432953759 979022049 /nfs/dbraw/zinc/02/20/49/979022049.db2.gz JTKLUORMVXULMM-UHFFFAOYSA-N 0 2 408.531 3.571 20 0 HHADLN Cc1ccc(Br)cc1S(=O)(=O)Nc1noc(Cc2ccccc2)n1 ZINC000432957277 979023795 /nfs/dbraw/zinc/02/37/95/979023795.db2.gz DGAIYUDQTDBMAD-UHFFFAOYSA-N 0 2 408.277 3.532 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)cc1C(C)C ZINC000432958285 979024257 /nfs/dbraw/zinc/02/42/57/979024257.db2.gz FKRLVFCXMLDONJ-UHFFFAOYSA-N 0 2 409.455 3.884 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)Nc2noc(Cc3ccccc3)n2)s1 ZINC000432961278 979025308 /nfs/dbraw/zinc/02/53/08/979025308.db2.gz RMRORYGBXYCKFI-UHFFFAOYSA-N 0 2 414.306 3.594 20 0 HHADLN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)c1 ZINC000433116263 979080473 /nfs/dbraw/zinc/08/04/73/979080473.db2.gz LLFPMQGRQYIZPI-UHFFFAOYSA-N 0 2 421.450 3.759 20 0 HHADLN CCCN(C(=O)c1ccccc1NS(=O)(=O)N1CCc2ccccc2C1)C(C)C ZINC000433601648 979417529 /nfs/dbraw/zinc/41/75/29/979417529.db2.gz AACNKGQGKPPZGT-UHFFFAOYSA-N 0 2 415.559 3.662 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000433807520 979589913 /nfs/dbraw/zinc/58/99/13/979589913.db2.gz IEGGXTXNGAOONO-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN CN(C)c1ccc(-c2cncc(C(=O)Nc3nc(-c4ccccc4F)n[nH]3)c2)cc1 ZINC000433945509 979704100 /nfs/dbraw/zinc/70/41/00/979704100.db2.gz HRBZOGCOAOIKRQ-UHFFFAOYSA-N 0 2 402.433 3.991 20 0 HHADLN CCCc1ccc(-c2cc(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)[nH]n2)cc1 ZINC000434965367 980536556 /nfs/dbraw/zinc/53/65/56/980536556.db2.gz DZYLPUIHEXCHGT-UHFFFAOYSA-N 0 2 408.483 3.672 20 0 HHADLN O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc(Cl)c3ccccc32)nc1 ZINC000434979767 980546147 /nfs/dbraw/zinc/54/61/47/980546147.db2.gz WVFBCKDTYRTPOB-UHFFFAOYSA-N 0 2 401.875 3.816 20 0 HHADLN O=C1CCC(c2ccc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)cc2)=NN1 ZINC000435496440 980903115 /nfs/dbraw/zinc/90/31/15/980903115.db2.gz KNRFPWNDDWOPKS-UHFFFAOYSA-N 0 2 416.261 3.547 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)c(N(C)C)c1 ZINC000435501035 980905504 /nfs/dbraw/zinc/90/55/04/980905504.db2.gz NIPBGPMJRGQFKH-UHFFFAOYSA-N 0 2 421.277 3.786 20 0 HHADLN CC(C)n1cc(S(=O)(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)cn1 ZINC000435719346 981001235 /nfs/dbraw/zinc/00/12/35/981001235.db2.gz LMCVMMAQKPLECM-UHFFFAOYSA-N 0 2 413.368 3.928 20 0 HHADLN CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1Cl ZINC000436010558 981153021 /nfs/dbraw/zinc/15/30/21/981153021.db2.gz LECAYVYMNQEMCM-UHFFFAOYSA-N 0 2 410.776 3.658 20 0 HHADLN O=C(c1cccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)c1)N1CCCCC1 ZINC000436019930 981159941 /nfs/dbraw/zinc/15/99/41/981159941.db2.gz YBMWKUSOXGNRMI-UHFFFAOYSA-N 0 2 422.510 3.571 20 0 HHADLN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)c(C)c1 ZINC000436019876 981160054 /nfs/dbraw/zinc/16/00/54/981160054.db2.gz XQAASTFDCOKBMJ-MRXNPFEDSA-N 0 2 424.526 3.781 20 0 HHADLN Cc1cc(Br)cc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c1 ZINC000436020864 981160756 /nfs/dbraw/zinc/16/07/56/981160756.db2.gz LWSGYEGSZOAAGL-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)n(-c2ccccc2F)n1 ZINC000436026270 981165039 /nfs/dbraw/zinc/16/50/39/981165039.db2.gz JCXKNQYBLXIUOU-UHFFFAOYSA-N 0 2 409.446 3.578 20 0 HHADLN CC(=O)Nc1cc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)ccc1Cl ZINC000436026558 981165185 /nfs/dbraw/zinc/16/51/85/981165185.db2.gz OUVLVQPKOLXXAR-UHFFFAOYSA-N 0 2 402.863 3.556 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc(Cl)cc(Br)c1F ZINC000436044512 981177087 /nfs/dbraw/zinc/17/70/87/981177087.db2.gz XQELHZSIGITYRI-UHFFFAOYSA-N 0 2 413.659 3.829 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)s1 ZINC000436173514 981233716 /nfs/dbraw/zinc/23/37/16/981233716.db2.gz BSJYYJHCXKDUFY-UHFFFAOYSA-N 0 2 418.462 3.953 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)c(Cl)c2)c(OC)c1 ZINC000436192201 981243100 /nfs/dbraw/zinc/24/31/00/981243100.db2.gz SJUITKQJUCNCNR-UHFFFAOYSA-N 0 2 401.893 3.658 20 0 HHADLN COc1cc(C)c(CN(C)C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)cc1OC ZINC000436276914 981280916 /nfs/dbraw/zinc/28/09/16/981280916.db2.gz VPSIEGFHGNTQJI-UHFFFAOYSA-N 0 2 415.877 3.829 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)cc1)C1CC1 ZINC000436474944 981393252 /nfs/dbraw/zinc/39/32/52/981393252.db2.gz ANEYPYAJDHBOJY-UHFFFAOYSA-N 0 2 400.378 3.560 20 0 HHADLN COC(=O)c1ccc(O)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000436478239 981393622 /nfs/dbraw/zinc/39/36/22/981393622.db2.gz OXCSACVVTHDYMG-UHFFFAOYSA-N 0 2 409.769 3.652 20 0 HHADLN COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)c1cc(F)c(O)c(F)c1 ZINC000436520816 981415197 /nfs/dbraw/zinc/41/51/97/981415197.db2.gz ANXJESRKHCBCBC-UHFFFAOYSA-N 0 2 418.223 3.835 20 0 HHADLN O=C(Nc1ccccc1CS(=O)(=O)c1ccccc1)c1cc(F)c(O)c(F)c1 ZINC000436522600 981416060 /nfs/dbraw/zinc/41/60/60/981416060.db2.gz NBXKNUNXPGSBHD-UHFFFAOYSA-N 0 2 403.406 3.897 20 0 HHADLN CN(C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)c1cccnc1 ZINC000436542562 981431823 /nfs/dbraw/zinc/43/18/23/981431823.db2.gz ABLQXEBBGFMUGE-UHFFFAOYSA-N 0 2 417.874 3.518 20 0 HHADLN Cc1ccncc1NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000436569492 981450327 /nfs/dbraw/zinc/45/03/27/981450327.db2.gz FEBPYNLNTHCSLV-UHFFFAOYSA-N 0 2 417.874 3.802 20 0 HHADLN CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000436634623 981485096 /nfs/dbraw/zinc/48/50/96/981485096.db2.gz MOPXUVGAZGXHKF-NSHDSACASA-N 0 2 417.731 3.577 20 0 HHADLN O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1cc(F)c(O)c(F)c1 ZINC000436638271 981487837 /nfs/dbraw/zinc/48/78/37/981487837.db2.gz FZCLXRQYVVNKQP-UHFFFAOYSA-N 0 2 400.356 3.992 20 0 HHADLN CC(=O)c1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)c1 ZINC000436680326 981508823 /nfs/dbraw/zinc/50/88/23/981508823.db2.gz NETJJXZDCPFGAT-UHFFFAOYSA-N 0 2 424.478 3.956 20 0 HHADLN C[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000436680460 981509005 /nfs/dbraw/zinc/50/90/05/981509005.db2.gz JMXSMNBTLFQJCO-MRXNPFEDSA-N 0 2 422.554 3.986 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000436716583 981528260 /nfs/dbraw/zinc/52/82/60/981528260.db2.gz UASBUKFHCHHQQE-OAHLLOKOSA-N 0 2 409.845 3.829 20 0 HHADLN O=C(NCc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc(O)c(Cl)c1 ZINC000436721158 981531353 /nfs/dbraw/zinc/53/13/53/981531353.db2.gz GYTHUDBBICYGQV-UHFFFAOYSA-N 0 2 416.886 3.776 20 0 HHADLN O=C(c1cc2occc2s1)N1CCN(C(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000436747463 981543286 /nfs/dbraw/zinc/54/32/86/981543286.db2.gz AVEIEEVLRROEIJ-UHFFFAOYSA-N 0 2 408.838 3.591 20 0 HHADLN CC(=O)c1ccc(O)c(NS(=O)(=O)c2cccc(Cl)c2Br)c1 ZINC000436747116 981543381 /nfs/dbraw/zinc/54/33/81/981543381.db2.gz JWRVLVDOOHJRTL-UHFFFAOYSA-N 0 2 404.669 3.812 20 0 HHADLN Cc1cc(CN2CCN(C(=O)c3cc(-c4ccccc4)cc(Cl)c3O)CC2)no1 ZINC000436753019 981546070 /nfs/dbraw/zinc/54/60/70/981546070.db2.gz BSZWIFNMFGBSOY-UHFFFAOYSA-N 0 2 411.889 3.967 20 0 HHADLN CCCCN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O)C1CC1 ZINC000436760240 981550489 /nfs/dbraw/zinc/55/04/89/981550489.db2.gz OETGWERXOJJMMB-UHFFFAOYSA-N 0 2 418.515 3.606 20 0 HHADLN CC[C@@H](NC(=O)c1cc(F)cc(Cl)c1O)c1ccccc1OCC(=O)N(C)C ZINC000436766905 981553014 /nfs/dbraw/zinc/55/30/14/981553014.db2.gz AFBXZTXPCARGRV-MRXNPFEDSA-N 0 2 408.857 3.533 20 0 HHADLN COc1ccc(NC(=O)c2cc(F)c(O)c(F)c2)c(I)c1 ZINC000436793737 981564996 /nfs/dbraw/zinc/56/49/96/981564996.db2.gz SPYVQBJSXDWNFC-UHFFFAOYSA-N 0 2 405.138 3.536 20 0 HHADLN COc1cc(NC2CCN(C(=O)c3cc(F)cc(Cl)c3O)CC2)cc(OC)c1 ZINC000436793938 981565027 /nfs/dbraw/zinc/56/50/27/981565027.db2.gz TXUJPFVBIJDFGS-UHFFFAOYSA-N 0 2 408.857 3.919 20 0 HHADLN CCN(CC)C(=O)c1ccc(CNC(=O)c2cc(F)cc(Br)c2O)cc1 ZINC000436845702 981587249 /nfs/dbraw/zinc/58/72/49/981587249.db2.gz FGPJEALCXNGTGL-UHFFFAOYSA-N 0 2 423.282 3.706 20 0 HHADLN CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1cc(F)cc(Br)c1O ZINC000436850148 981589525 /nfs/dbraw/zinc/58/95/25/981589525.db2.gz YWLXJMITMKNHGA-UHFFFAOYSA-N 0 2 415.646 3.658 20 0 HHADLN C[C@H](NC(=O)c1cc(F)cc(Br)c1O)c1ccc([S@](C)=O)cc1 ZINC000436852557 981591345 /nfs/dbraw/zinc/59/13/45/981591345.db2.gz AITGZTZRIXZBKG-KLVQOETNSA-N 0 2 400.269 3.522 20 0 HHADLN O=C(N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc(F)cc(Br)c1O ZINC000436854838 981592847 /nfs/dbraw/zinc/59/28/47/981592847.db2.gz ULJFZHHEBRKUBJ-ZBFHGGJFSA-N 0 2 416.193 3.832 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000436866088 981596856 /nfs/dbraw/zinc/59/68/56/981596856.db2.gz WMMJXOICGGDJMD-IBGZPJMESA-N 0 2 406.251 3.608 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(O)c(-c3nc(C4CCCC4)no3)c2)cc1 ZINC000436888216 981602248 /nfs/dbraw/zinc/60/22/48/981602248.db2.gz QZKNVQNRAQMDMG-UHFFFAOYSA-N 0 2 415.471 3.909 20 0 HHADLN O=S(=O)(c1ccc(O)c(-c2nc(-c3ccc(Cl)cc3)no2)c1)N1CCCC1 ZINC000436891148 981602961 /nfs/dbraw/zinc/60/29/61/981602961.db2.gz HTWWWZPWXHNGFO-UHFFFAOYSA-N 0 2 405.863 3.547 20 0 HHADLN O=S(=O)(Nc1ccccc1Cl)c1ccc(O)c(-c2nc([C@H]3CCCO3)no2)c1 ZINC000436934966 981633441 /nfs/dbraw/zinc/63/34/41/981633441.db2.gz ISQOVYIUWPTTBI-MRXNPFEDSA-N 0 2 421.862 3.748 20 0 HHADLN COC(=O)c1cc(NC(=O)c2cc(F)c(O)c(F)c2)cc(Br)c1F ZINC000436945919 981638389 /nfs/dbraw/zinc/63/83/89/981638389.db2.gz HHXJRBIDONJPLK-UHFFFAOYSA-N 0 2 404.138 3.611 20 0 HHADLN COCCOc1ccc(Br)cc1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000436964529 981651991 /nfs/dbraw/zinc/65/19/91/981651991.db2.gz HAQXKXAEUUVFRQ-UHFFFAOYSA-N 0 2 402.191 3.710 20 0 HHADLN CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(Cl)cc(Br)c1O ZINC000436966552 981653005 /nfs/dbraw/zinc/65/30/05/981653005.db2.gz VQTMJBMQJPEIBT-LLVKDONJSA-N 0 2 412.667 3.720 20 0 HHADLN CNC(=O)c1cc(NC(=O)c2cc(F)cc(Br)c2O)ccc1Cl ZINC000436996038 981675089 /nfs/dbraw/zinc/67/50/89/981675089.db2.gz AQVJQMXSZZIYMH-UHFFFAOYSA-N 0 2 401.619 3.559 20 0 HHADLN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc(F)cc(Br)c1O ZINC000437000282 981677520 /nfs/dbraw/zinc/67/75/20/981677520.db2.gz TUPGXLQIOCBJLC-NSHDSACASA-N 0 2 419.254 3.708 20 0 HHADLN Cn1ccnc1[C@H](NC(=O)c1cc(F)cc(Br)c1O)c1cccc(F)c1 ZINC000437002645 981679251 /nfs/dbraw/zinc/67/92/51/981679251.db2.gz RLXHJQULQCPCHW-OAHLLOKOSA-N 0 2 422.229 3.686 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1nnc(C(C)(C)C)s1 ZINC000437173266 981827979 /nfs/dbraw/zinc/82/79/79/981827979.db2.gz SERGEOJCUJEYMV-UHFFFAOYSA-N 0 2 411.530 3.638 20 0 HHADLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)s1 ZINC000437175506 981830836 /nfs/dbraw/zinc/83/08/36/981830836.db2.gz HWPVGAHXKSSENR-LLVKDONJSA-N 0 2 408.549 3.540 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)s2)cc1Cl ZINC000437185064 981841201 /nfs/dbraw/zinc/84/12/01/981841201.db2.gz FRTYHNQOSKBQAS-UHFFFAOYSA-N 0 2 413.883 3.731 20 0 HHADLN CCCCCc1nnc(NS(=O)(=O)c2cc(OC)ccc2Br)s1 ZINC000437194561 981851901 /nfs/dbraw/zinc/85/19/01/981851901.db2.gz AISZMCQQKDQRTE-UHFFFAOYSA-N 0 2 420.354 3.843 20 0 HHADLN CCc1nnc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)s1 ZINC000437201794 981859234 /nfs/dbraw/zinc/85/92/34/981859234.db2.gz URYNTSQICFYDQG-UHFFFAOYSA-N 0 2 416.244 3.683 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2cc(C(C)C)nn2-c2ccc(C)cc2)c1C ZINC000437308756 981960294 /nfs/dbraw/zinc/96/02/94/981960294.db2.gz MKWBBNSLPHFMOY-UHFFFAOYSA-N 0 2 401.536 3.938 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cc(C)c(C)c3ncccc23)cn1 ZINC000437327837 981979240 /nfs/dbraw/zinc/97/92/40/981979240.db2.gz APHIQOJEELDLHL-UHFFFAOYSA-N 0 2 408.483 3.847 20 0 HHADLN CC(C)c1cccc(S(=O)(=O)Nc2cc(Br)cnc2-n2cccn2)c1 ZINC000437390157 982034712 /nfs/dbraw/zinc/03/47/12/982034712.db2.gz DQUISSSXSXOHTB-UHFFFAOYSA-N 0 2 421.320 3.954 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2nc3c(s2)CCCCCC3)cn1 ZINC000437393796 982038227 /nfs/dbraw/zinc/03/82/27/982038227.db2.gz QUBVXWYUIKJIKR-UHFFFAOYSA-N 0 2 418.544 3.797 20 0 HHADLN CCCn1nccc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000437414593 982056753 /nfs/dbraw/zinc/05/67/53/982056753.db2.gz WKWFKXSWOBDCPY-UHFFFAOYSA-N 0 2 412.231 3.875 20 0 HHADLN CCc1cccc(Cc2cnc(NS(=O)(=O)c3c(C)nn(CC)c3C)s2)c1 ZINC000437416411 982058153 /nfs/dbraw/zinc/05/81/53/982058153.db2.gz YNGLWXXQEDITBY-UHFFFAOYSA-N 0 2 404.561 3.930 20 0 HHADLN COc1ccc(-n2c(NC(=O)c3ccc4c(c3)NC(=O)CO4)nc3ccccc32)cc1 ZINC000460384530 982163171 /nfs/dbraw/zinc/16/31/71/982163171.db2.gz JJCGSYCRVGINDZ-UHFFFAOYSA-N 0 2 414.421 3.617 20 0 HHADLN O=C(NCc1cccc(N2CC=CC2)c1)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000460384575 982163175 /nfs/dbraw/zinc/16/31/75/982163175.db2.gz XNUQPUUQGMMLPX-UHFFFAOYSA-N 0 2 419.506 3.888 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1cccnc1-c1ccc(C)s1 ZINC000437651681 982270266 /nfs/dbraw/zinc/27/02/66/982270266.db2.gz DCUICTNLVLUFOS-UHFFFAOYSA-N 0 2 404.513 3.945 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cc(C)ccc2C)nc1C(F)(F)F ZINC000460523361 982311054 /nfs/dbraw/zinc/31/10/54/982311054.db2.gz GSARRMMIRCGOGG-UHFFFAOYSA-N 0 2 408.423 3.756 20 0 HHADLN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S(=O)(=O)Cc2ccc(C(F)F)cc2)c1C ZINC000460657773 982428223 /nfs/dbraw/zinc/42/82/23/982428223.db2.gz RNYMTBOMILIJOS-LBPRGKRZSA-N 0 2 413.442 3.542 20 0 HHADLN Cc1ccnc(-c2cccc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)c2)n1 ZINC000460824161 982575545 /nfs/dbraw/zinc/57/55/45/982575545.db2.gz PURIHEVADCUNIK-UHFFFAOYSA-N 0 2 409.446 3.578 20 0 HHADLN CNC(=O)Cn1ccc2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc21 ZINC000460831903 982582367 /nfs/dbraw/zinc/58/23/67/982582367.db2.gz BCYADPPUOSZFFP-UHFFFAOYSA-N 0 2 418.327 3.556 20 0 HHADLN CCc1ncc(S(=O)(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)s1 ZINC000460922200 982659404 /nfs/dbraw/zinc/65/94/04/982659404.db2.gz ASMHEDILEYIIQW-LBPRGKRZSA-N 0 2 416.393 3.889 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)sc1C1CC1 ZINC000461112653 982802115 /nfs/dbraw/zinc/80/21/15/982802115.db2.gz LBIPIEFTKMYBJK-UHFFFAOYSA-N 0 2 412.436 3.688 20 0 HHADLN O=S(=O)([N-]c1ccccc1OCCn1cc[nH+]c1)c1ccc(C(F)(F)F)s1 ZINC000461115166 982807904 /nfs/dbraw/zinc/80/79/04/982807904.db2.gz VLBLURMAKRFKJO-UHFFFAOYSA-N 0 2 417.434 3.843 20 0 HHADLN Cc1oc(-c2cnn(C)c2)nc1C(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC000438497063 982840183 /nfs/dbraw/zinc/84/01/83/982840183.db2.gz VGOQQDBPRQKIFF-UHFFFAOYSA-N 0 2 405.462 3.718 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2ncc(Cl)cc2C)cc1OC ZINC000461193898 982910596 /nfs/dbraw/zinc/91/05/96/982910596.db2.gz IWIDCELQCMHPQM-UHFFFAOYSA-N 0 2 421.700 3.624 20 0 HHADLN CC1(C2CC2)CCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 ZINC000461204366 982918964 /nfs/dbraw/zinc/91/89/64/982918964.db2.gz WODDVNCLPZAWEA-UHFFFAOYSA-N 0 2 405.545 3.596 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2ccc(-n3c[nH+]c(C)c3C)cc2)c(F)c1 ZINC000461211705 982925498 /nfs/dbraw/zinc/92/54/98/982925498.db2.gz NDPKQWSUHHKHCO-UHFFFAOYSA-N 0 2 420.441 3.527 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3OC)c2)cc1Cl ZINC000438799447 983077988 /nfs/dbraw/zinc/07/79/88/983077988.db2.gz YBNOOCFIBBRYLE-UHFFFAOYSA-N 0 2 407.879 3.734 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(COC(C)C)cc2)cn1 ZINC000438817674 983091202 /nfs/dbraw/zinc/09/12/02/983091202.db2.gz ZPZAEMRIBHHRBM-UHFFFAOYSA-N 0 2 401.488 3.607 20 0 HHADLN COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1-c1cn[nH]c1 ZINC000438817735 983091330 /nfs/dbraw/zinc/09/13/30/983091330.db2.gz FZCJQWYFJAITLD-UHFFFAOYSA-N 0 2 408.277 3.649 20 0 HHADLN COc1ccc2c(c1)C1(CC1)CN(C(=O)C1=NN(c3ccc(F)cc3C)CC1=O)C2 ZINC000461446386 983111247 /nfs/dbraw/zinc/11/12/47/983111247.db2.gz DBJVSOFYAGDZNF-UHFFFAOYSA-N 0 2 407.445 3.722 20 0 HHADLN CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000438900453 983143914 /nfs/dbraw/zinc/14/39/14/983143914.db2.gz GNYGXPSWVHBGDX-UHFFFAOYSA-N 0 2 422.504 3.628 20 0 HHADLN CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000438900453 983143924 /nfs/dbraw/zinc/14/39/24/983143924.db2.gz GNYGXPSWVHBGDX-UHFFFAOYSA-N 0 2 422.504 3.628 20 0 HHADLN COCCn1cc(S(=O)(=O)Nc2ccc(Sc3ccccc3)cc2C)cn1 ZINC000439058485 983231819 /nfs/dbraw/zinc/23/18/19/983231819.db2.gz NTPGCMOXBBEGAZ-UHFFFAOYSA-N 0 2 403.529 3.790 20 0 HHADLN COc1ccc(Br)cc1CC(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000439219033 983314971 /nfs/dbraw/zinc/31/49/71/983314971.db2.gz YECISKJQJQZWST-UHFFFAOYSA-N 0 2 405.227 3.563 20 0 HHADLN C[C@@H](CC(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1cccnc1 ZINC000439251936 983332555 /nfs/dbraw/zinc/33/25/55/983332555.db2.gz YHWVFDLVAYYGKV-JTQLQIEISA-N 0 2 404.243 3.901 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2c(C)cnn2-c2ccccc2)cc1OCC ZINC000439878366 983566338 /nfs/dbraw/zinc/56/63/38/983566338.db2.gz LLJGTLQYEFUFCR-UHFFFAOYSA-N 0 2 401.488 3.779 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)c(F)cc1F ZINC000439884088 983569036 /nfs/dbraw/zinc/56/90/36/983569036.db2.gz WCIXEKBISASHKQ-UHFFFAOYSA-N 0 2 400.410 3.784 20 0 HHADLN Cc1cnn(-c2ccccc2)c1NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000439884623 983569522 /nfs/dbraw/zinc/56/95/22/983569522.db2.gz YCPCBNHQMAWDOK-ZDUSSCGKSA-N 0 2 403.891 3.958 20 0 HHADLN CC(C)=CCN(Cc1ccc(Cl)cc1)C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000440150818 983661511 /nfs/dbraw/zinc/66/15/11/983661511.db2.gz YUHMRJUZKRBVAN-UHFFFAOYSA-N 0 2 420.966 3.844 20 0 HHADLN CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2c(Cl)ccc3ccccc32)cc1 ZINC000440301533 983711641 /nfs/dbraw/zinc/71/16/41/983711641.db2.gz DZSZACPFSOHINW-UHFFFAOYSA-N 0 2 424.931 3.544 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1cccc(C(=O)NC2CC2)c1 ZINC000440301397 983711699 /nfs/dbraw/zinc/71/16/99/983711699.db2.gz CMMQGZKEGBOWTF-UHFFFAOYSA-N 0 2 416.268 3.923 20 0 HHADLN COc1ccccc1-c1cccc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)c1 ZINC000440833330 983928816 /nfs/dbraw/zinc/92/88/16/983928816.db2.gz OFVGANWJTCVFIY-UHFFFAOYSA-N 0 2 413.499 3.711 20 0 HHADLN C[C@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000441406827 984235294 /nfs/dbraw/zinc/23/52/94/984235294.db2.gz RRBZLDWXMOTCRL-RYUDHWBXSA-N 0 2 408.955 3.500 20 0 HHADLN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccccc1OCCC(N)=O ZINC000441772888 984443599 /nfs/dbraw/zinc/44/35/99/984443599.db2.gz YVNRHCHPUJMTMG-UHFFFAOYSA-N 0 2 424.931 3.918 20 0 HHADLN Cc1cc(N2CC[NH+]=C2[O-])ccc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000442240620 984761923 /nfs/dbraw/zinc/76/19/23/984761923.db2.gz NMBVSWCQBCOQHB-UHFFFAOYSA-N 0 2 407.495 3.992 20 0 HHADLN COc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000442247745 984769940 /nfs/dbraw/zinc/76/99/40/984769940.db2.gz XCGJZNKRMIIONK-UHFFFAOYSA-N 0 2 403.287 3.505 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)ccc2OCc2ccccc2)cn1 ZINC000442249764 984771435 /nfs/dbraw/zinc/77/14/35/984771435.db2.gz LOFAFWMFBYGKAW-UHFFFAOYSA-N 0 2 412.467 3.556 20 0 HHADLN CCc1nc2ccc(Cl)cn2c1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000461790424 984779943 /nfs/dbraw/zinc/77/99/43/984779943.db2.gz INTOFCUSOXNXFC-UHFFFAOYSA-N 0 2 401.879 3.533 20 0 HHADLN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc3c(ccc4ccccc34)s2)cc1 ZINC000442339879 984846076 /nfs/dbraw/zinc/84/60/76/984846076.db2.gz DHBDUINJJRTFKQ-UHFFFAOYSA-N 0 2 411.508 3.952 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(OC)c(Cl)c3)cn2)cn1 ZINC000442606231 985087830 /nfs/dbraw/zinc/08/78/30/985087830.db2.gz NUMDHBIHXHMEPI-UHFFFAOYSA-N 0 2 405.863 3.615 20 0 HHADLN C[C@@H](Cc1nnc(NS(=O)(=O)c2ccc(Br)o2)o1)CC(C)(C)C ZINC000442614193 985092341 /nfs/dbraw/zinc/09/23/41/985092341.db2.gz HERNLRUOAYRVFC-VIFPVBQESA-N 0 2 406.302 3.841 20 0 HHADLN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc3c(ccc4c3CCCC4)s2)cc1 ZINC000442621579 985097588 /nfs/dbraw/zinc/09/75/88/985097588.db2.gz YVCXHNGTJLQLIU-UHFFFAOYSA-N 0 2 415.540 3.678 20 0 HHADLN CSC[C@@H](C)C(=O)N1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2O)CC1 ZINC000442706275 985176319 /nfs/dbraw/zinc/17/63/19/985176319.db2.gz DAIIGRGVHODCSF-SNVBAGLBSA-N 0 2 405.347 3.875 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cnccc1C(F)(F)F ZINC000442815053 985225210 /nfs/dbraw/zinc/22/52/10/985225210.db2.gz BWBMULSIPSHMCX-AWEZNQCLSA-N 0 2 412.393 3.629 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000442822544 985228790 /nfs/dbraw/zinc/22/87/90/985228790.db2.gz GQMPVBQYYMTAAX-UHFFFAOYSA-N 0 2 411.835 3.899 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3ccncc3)ccc2C)c(OC)c1 ZINC000442827757 985231081 /nfs/dbraw/zinc/23/10/81/985231081.db2.gz OOAAAUMONAVRDL-UHFFFAOYSA-N 0 2 412.467 3.653 20 0 HHADLN COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1ccc2ccoc2c1 ZINC000442838008 985239126 /nfs/dbraw/zinc/23/91/26/985239126.db2.gz OPWVEEIXGZAIJP-UHFFFAOYSA-N 0 2 410.245 3.783 20 0 HHADLN O=S(=O)(Nc1ccc(OC(F)(F)F)cc1O)c1ccccc1Br ZINC000442842616 985241051 /nfs/dbraw/zinc/24/10/51/985241051.db2.gz QOVGZSNQCRMDJV-UHFFFAOYSA-N 0 2 412.183 3.854 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2C)c(OC)c1 ZINC000442844755 985242991 /nfs/dbraw/zinc/24/29/91/985242991.db2.gz SEMMRDYVRRVUDV-UHFFFAOYSA-N 0 2 403.378 3.610 20 0 HHADLN O=C1Cc2cc(S(=O)(=O)Nc3nc4ccc(Cl)cc4s3)cc3c2N1CCC3 ZINC000462381719 985364095 /nfs/dbraw/zinc/36/40/95/985364095.db2.gz XISMCIHIQMGOTO-UHFFFAOYSA-N 0 2 419.915 3.586 20 0 HHADLN O=S(=O)(Nc1nnc(/C=C/c2ccco2)s1)c1cnccc1C(F)(F)F ZINC000443154316 985412629 /nfs/dbraw/zinc/41/26/29/985412629.db2.gz GYMSKNCKWCGLFA-ONEGZZNKSA-N 0 2 402.379 3.516 20 0 HHADLN O=S(=O)(Nc1nnc(/C=C\c2ccco2)s1)c1cnccc1C(F)(F)F ZINC000443154315 985412690 /nfs/dbraw/zinc/41/26/90/985412690.db2.gz GYMSKNCKWCGLFA-ARJAWSKDSA-N 0 2 402.379 3.516 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cnc(N2CCCC[C@H]2C)c(C)c1 ZINC000443157805 985415084 /nfs/dbraw/zinc/41/50/84/985415084.db2.gz LRNJBGYTDFZWJH-CQSZACIVSA-N 0 2 423.560 3.726 20 0 HHADLN C[C@H]1CN(c2ccccc2NS(=O)(=O)c2cnccc2C(F)(F)F)C[C@H](C)O1 ZINC000443162169 985418180 /nfs/dbraw/zinc/41/81/80/985418180.db2.gz YCRVAYZOJUUCQG-STQMWFEESA-N 0 2 415.437 3.515 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)CCc2ccccc2)c(F)c1Cl ZINC000462475865 985432802 /nfs/dbraw/zinc/43/28/02/985432802.db2.gz PXLZGIRXWGQJNS-LLVKDONJSA-N 0 2 416.877 3.876 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)c2ccc(F)cc2F)c(F)c1Cl ZINC000462482764 985438848 /nfs/dbraw/zinc/43/88/48/985438848.db2.gz YATXBCPJNTUUBP-SSDOTTSWSA-N 0 2 424.803 3.894 20 0 HHADLN CC1=[NH+]C(=C([O-])C(=C(S)NC2CCCCC2)[n+]2ccccc2)C(C)=C1C(=O)[O-] ZINC001599942864 985477004 /nfs/dbraw/zinc/47/70/04/985477004.db2.gz VOYONPHDJUQAPW-UHFFFAOYSA-O 0 2 400.524 3.598 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H](C)c2ccc(F)cc2)c(F)c1Cl ZINC000462557571 985505876 /nfs/dbraw/zinc/50/58/76/985505876.db2.gz VKNANCZWYOKGQC-VIFPVBQESA-N 0 2 420.840 3.798 20 0 HHADLN CC[C@@]1(C)Oc2ccc(NC(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)cc2O1 ZINC000443354944 985518254 /nfs/dbraw/zinc/51/82/54/985518254.db2.gz JUWNJNPOPFHAOH-IBGZPJMESA-N 0 2 400.460 3.958 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3cnn(CC(F)(F)F)c3)c2)n1 ZINC000443408884 985564460 /nfs/dbraw/zinc/56/44/60/985564460.db2.gz VCDHUUILCVGJTJ-UHFFFAOYSA-N 0 2 402.423 3.678 20 0 HHADLN CC1(C)Cc2cccc(S(=O)(=O)Nc3cc(Cl)ccc3N3CCOCC3)c2O1 ZINC000443409942 985565450 /nfs/dbraw/zinc/56/54/50/985565450.db2.gz YODCXAGVTKXQJB-UHFFFAOYSA-N 0 2 422.934 3.691 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)cc1OCC1CCCCC1 ZINC000443454261 985622654 /nfs/dbraw/zinc/62/26/54/985622654.db2.gz OPRRKBWKEFOMRM-IBGZPJMESA-N 0 2 419.547 3.913 20 0 HHADLN Cc1oc2ccccc2c1C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000467987390 985632948 /nfs/dbraw/zinc/63/29/48/985632948.db2.gz APDIZKFMAOAFKY-UHFFFAOYSA-N 0 2 414.468 3.646 20 0 HHADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1ccc(C(C)(C)C)cc1O ZINC000443526043 985696164 /nfs/dbraw/zinc/69/61/64/985696164.db2.gz BUXFOIYUJCMAIM-UHFFFAOYSA-N 0 2 418.515 3.848 20 0 HHADLN COc1cccc(Cl)c1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443583737 985758216 /nfs/dbraw/zinc/75/82/16/985758216.db2.gz YYVFBEUJUSHJPL-UHFFFAOYSA-N 0 2 423.903 3.858 20 0 HHADLN C[C@@H](Cc1cccc(F)c1)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443585911 985762127 /nfs/dbraw/zinc/76/21/27/985762127.db2.gz YEBPGSITXZEVKX-ZDUSSCGKSA-N 0 2 419.503 3.900 20 0 HHADLN Cc1ccc2oc(C(=O)Nc3cccc(S(=O)(=O)Nc4nccs4)c3)cc2n1 ZINC000443595615 985770921 /nfs/dbraw/zinc/77/09/21/985770921.db2.gz ZOHVLUFFYDXQTK-UHFFFAOYSA-N 0 2 414.468 3.646 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000468344371 986040829 /nfs/dbraw/zinc/04/08/29/986040829.db2.gz RENSUGZQTDTPMF-UHFFFAOYSA-N 0 2 415.458 3.968 20 0 HHADLN Cc1c(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)nnn1-c1ccc2c(c1)OCCO2 ZINC000463109912 986071698 /nfs/dbraw/zinc/07/16/98/986071698.db2.gz SEYYSRCUBXBBFS-UHFFFAOYSA-N 0 2 421.240 3.612 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000468386379 986086262 /nfs/dbraw/zinc/08/62/62/986086262.db2.gz ZBMYXBUMQDGDPB-JTQLQIEISA-N 0 2 424.828 3.968 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000468386380 986086607 /nfs/dbraw/zinc/08/66/07/986086607.db2.gz ZBMYXBUMQDGDPB-SNVBAGLBSA-N 0 2 424.828 3.968 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1cccc(-n2ccnn2)c1 ZINC000463163311 986135457 /nfs/dbraw/zinc/13/54/57/986135457.db2.gz CSCGGDHMODZNSV-UHFFFAOYSA-N 0 2 400.229 3.612 20 0 HHADLN C[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C[C@@H](C)C1 ZINC000443928481 986136131 /nfs/dbraw/zinc/13/61/31/986136131.db2.gz MKBIHPXPXBOASV-KGLIPLIRSA-N 0 2 408.549 3.844 20 0 HHADLN CSc1ccccc1S(=O)(=O)Nc1ccc(I)c(C)n1 ZINC000444048052 986246698 /nfs/dbraw/zinc/24/66/98/986246698.db2.gz HPIKDDUMYUBTPL-UHFFFAOYSA-N 0 2 420.297 3.517 20 0 HHADLN O=S(=O)(Nc1nnc(CC2CCCCC2)s1)c1cnc(-c2ccccc2)nc1 ZINC000444053484 986252644 /nfs/dbraw/zinc/25/26/44/986252644.db2.gz JREIHWBAXBDARN-UHFFFAOYSA-N 0 2 415.544 3.919 20 0 HHADLN Cc1occc1-c1nnc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)o1 ZINC000444063438 986266312 /nfs/dbraw/zinc/26/63/12/986266312.db2.gz CQYUCXQEQOBRSF-UHFFFAOYSA-N 0 2 419.850 3.586 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3)o2)cc1Br ZINC000444065823 986269054 /nfs/dbraw/zinc/26/90/54/986269054.db2.gz RZLDVMIGXZNMIX-UHFFFAOYSA-N 0 2 424.276 3.699 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccco2)o1)c1cc(Cl)ccc1OCCC1CC1 ZINC000444066842 986270083 /nfs/dbraw/zinc/27/00/83/986270083.db2.gz ZWIUUIGPBDZNNG-UHFFFAOYSA-N 0 2 409.851 3.963 20 0 HHADLN C[C@@H]1C(=O)CC[C@@H](C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1(C)C ZINC000444102538 986300797 /nfs/dbraw/zinc/30/07/97/986300797.db2.gz FDFWUVWCEWAFFG-DOMZBBRYSA-N 0 2 421.544 3.524 20 0 HHADLN COCn1nc(C)c(S(=O)(=O)Nc2ccccc2Nc2ccc(C)cc2)c1C ZINC000463371187 986336817 /nfs/dbraw/zinc/33/68/17/986336817.db2.gz ZFLQGTFNXLWOSR-UHFFFAOYSA-N 0 2 400.504 3.957 20 0 HHADLN Cn1cc(NS(=O)(=O)c2cc(Br)ccc2Cl)c(C(F)(F)F)n1 ZINC000463428150 986399067 /nfs/dbraw/zinc/39/90/67/986399067.db2.gz DMEIYAPGRGJEDS-UHFFFAOYSA-N 0 2 418.622 3.656 20 0 HHADLN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2csc3ccc(Cl)cc32)s1 ZINC000444218841 986402718 /nfs/dbraw/zinc/40/27/18/986402718.db2.gz WIZVSEHMVXBPKN-UHFFFAOYSA-N 0 2 411.921 3.906 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)=N1 ZINC000468692539 986405183 /nfs/dbraw/zinc/40/51/83/986405183.db2.gz DOTNHNQFBNIYOA-UHFFFAOYSA-N 0 2 414.868 3.641 20 0 HHADLN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)s1 ZINC000444221770 986407499 /nfs/dbraw/zinc/40/74/99/986407499.db2.gz ZIISETPZACNHSA-UHFFFAOYSA-N 0 2 405.549 3.952 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[C@H](COCc3ccccc3)C2)=N1 ZINC000468748637 986462209 /nfs/dbraw/zinc/46/22/09/986462209.db2.gz UFKLLIFLSKKPBI-SFHVURJKSA-N 0 2 409.461 3.704 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2cc(F)ccc2O)cc1Cl ZINC000468772031 986485246 /nfs/dbraw/zinc/48/52/46/986485246.db2.gz AXCHIAAJUBYFLH-UHFFFAOYSA-N 0 2 410.648 3.757 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cc3ccccc3o2)s1)c1cccc2c1OCCO2 ZINC000468776164 986487711 /nfs/dbraw/zinc/48/77/11/986487711.db2.gz BKJKQHGCDWTXEW-UHFFFAOYSA-N 0 2 415.452 3.523 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccccc2-n2ccc(C)n2)cc1Cl ZINC000468781545 986493505 /nfs/dbraw/zinc/49/35/05/986493505.db2.gz CCZUTTMMFLZLTE-UHFFFAOYSA-N 0 2 422.869 3.732 20 0 HHADLN C[C@H](Oc1cccc2ccccc21)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000444367500 986545229 /nfs/dbraw/zinc/54/52/29/986545229.db2.gz ILZARWFVPUTTGN-INIZCTEOSA-N 0 2 402.454 3.621 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)cc1 ZINC000468876726 986583184 /nfs/dbraw/zinc/58/31/84/986583184.db2.gz HZAWVHBRRGSXHA-UHFFFAOYSA-N 0 2 415.452 3.539 20 0 HHADLN CCSc1nnc(NS(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)s1 ZINC000468886408 986592893 /nfs/dbraw/zinc/59/28/93/986592893.db2.gz IIBAQHLBYABENZ-VIFPVBQESA-N 0 2 423.969 3.518 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)cs1 ZINC000468989099 986695215 /nfs/dbraw/zinc/69/52/15/986695215.db2.gz OKXMGGUUYJLELW-UHFFFAOYSA-N 0 2 421.481 3.600 20 0 HHADLN O=C(Nc1nc(C2CCC2)cs1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000444527252 986714814 /nfs/dbraw/zinc/71/48/14/986714814.db2.gz NYSSJKKMJFGYBW-UHFFFAOYSA-N 0 2 420.541 3.920 20 0 HHADLN CC[C@H](C)[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(F)(F)F ZINC000444537687 986727096 /nfs/dbraw/zinc/72/70/96/986727096.db2.gz AUTUQCKLZQQZLP-GWCFXTLKSA-N 0 2 421.466 3.651 20 0 HHADLN COC(=O)c1nscc1NS(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000469064388 986776681 /nfs/dbraw/zinc/77/66/81/986776681.db2.gz UREOIBLFOBPDGS-UHFFFAOYSA-N 0 2 416.908 3.563 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000469104807 986820992 /nfs/dbraw/zinc/82/09/92/986820992.db2.gz WFEMXXGMGKKSPQ-UHFFFAOYSA-N 0 2 402.447 3.714 20 0 HHADLN COc1cc(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)ccc1F ZINC000469122340 986840714 /nfs/dbraw/zinc/84/07/14/986840714.db2.gz ZPAFWPWZQJZJEB-UHFFFAOYSA-N 0 2 414.430 3.961 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(-c2ccccc2)o1 ZINC000469157225 986881128 /nfs/dbraw/zinc/88/11/28/986881128.db2.gz UOVJHLHTRGIKMA-LBPRGKRZSA-N 0 2 423.878 3.605 20 0 HHADLN COc1cc(S(=O)(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)ccc1F ZINC000469171441 986896052 /nfs/dbraw/zinc/89/60/52/986896052.db2.gz WVNJQQCKZKWBFQ-GOSISDBHSA-N 0 2 401.463 3.757 20 0 HHADLN CN(C(=O)N=c1nc(C(C)(C)C)[nH]s1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000444900045 987048828 /nfs/dbraw/zinc/04/88/28/987048828.db2.gz RMTBBAFBMNSNII-OLZOCXBDSA-N 0 2 415.346 3.686 20 0 HHADLN O=S(=O)(c1cnc2ccccc2c1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000445044381 987173073 /nfs/dbraw/zinc/17/30/73/987173073.db2.gz PDGJNKFTLCSRJS-LJQANCHMSA-N 0 2 405.483 3.546 20 0 HHADLN Cc1cc(=O)c(C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)c[nH]1 ZINC000469529657 987204097 /nfs/dbraw/zinc/20/40/97/987204097.db2.gz SQVCFRUUSVCLIF-UHFFFAOYSA-N 0 2 404.451 3.668 20 0 HHADLN COCCc1cc(O)ccc1NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000445106491 987213227 /nfs/dbraw/zinc/21/32/27/987213227.db2.gz FCKCXWWOCHYSLU-UHFFFAOYSA-N 0 2 404.879 3.819 20 0 HHADLN CC(C)(c1noc(-c2cc(S(=O)(=O)N3CCCC3)ccc2O)n1)c1ccccc1 ZINC000445474912 987539205 /nfs/dbraw/zinc/53/92/05/987539205.db2.gz RTDQKTOUJZKXIX-UHFFFAOYSA-N 0 2 413.499 3.553 20 0 HHADLN CCOC(=O)c1c(NS(=O)(=O)c2cccc3ccccc32)cc(OC)cc1OC ZINC000470435412 988404206 /nfs/dbraw/zinc/40/42/06/988404206.db2.gz ALMHZTZDJGRKGU-UHFFFAOYSA-N 0 2 415.467 3.835 20 0 HHADLN Cc1c2nc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)sc2ccc1F ZINC000464890064 989157673 /nfs/dbraw/zinc/15/76/73/989157673.db2.gz GYTFNQUWHWFFHR-UHFFFAOYSA-N 0 2 406.439 3.869 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(C)cc3)s2)c(C)c1C ZINC000471508783 989707434 /nfs/dbraw/zinc/70/74/34/989707434.db2.gz XEDAJQLOZIMSFV-UHFFFAOYSA-N 0 2 403.529 3.864 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3ccc(SC)cc3)s2)c1 ZINC000471510939 989709673 /nfs/dbraw/zinc/70/96/73/989709673.db2.gz OXBPQMHPKHNZIZ-UHFFFAOYSA-N 0 2 407.542 3.660 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3ccc(Cl)cc3F)s2)c1 ZINC000471517348 989715878 /nfs/dbraw/zinc/71/58/78/989715878.db2.gz AJOLNHLUKKQOKY-UHFFFAOYSA-N 0 2 413.883 3.731 20 0 HHADLN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2ccc(-c3ccccc3)cn2)c1 ZINC000471903969 990073495 /nfs/dbraw/zinc/07/34/95/990073495.db2.gz YQFZWLULTBEVAC-UHFFFAOYSA-N 0 2 400.431 3.784 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1cc(-c2cccc(OC)c2)nn1-c1ccccc1 ZINC000471912977 990080722 /nfs/dbraw/zinc/08/07/22/990080722.db2.gz XWJJBXHSQYGUOA-UHFFFAOYSA-N 0 2 423.498 3.565 20 0 HHADLN CN1C(=O)c2cccc3c2c1ccc3S(=O)(=O)Nc1ccnn1-c1cccc(F)c1 ZINC000471923003 990089142 /nfs/dbraw/zinc/08/91/42/990089142.db2.gz WRVZCXMJSJNHDH-UHFFFAOYSA-N 0 2 422.441 3.555 20 0 HHADLN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2ccccc2Oc2ccncc2)c1 ZINC000471931303 990097072 /nfs/dbraw/zinc/09/70/72/990097072.db2.gz KOSSTJXOWJAQMJ-UHFFFAOYSA-N 0 2 416.430 3.909 20 0 HHADLN Cc1cc(Br)c(F)cc1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000471960899 990125622 /nfs/dbraw/zinc/12/56/22/990125622.db2.gz MHFNGJQZTBPSGA-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(F)c(Br)cc1C ZINC000471991275 990158382 /nfs/dbraw/zinc/15/83/82/990158382.db2.gz ICWBBNHQWGECAI-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(C)nn1-c1ccc(Cl)cc1 ZINC000466269991 991515300 /nfs/dbraw/zinc/51/53/00/991515300.db2.gz RSGFUVYUQBDLCN-UHFFFAOYSA-N 0 2 423.853 3.561 20 0 HHADLN CNC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OCC2CCC2)cc1 ZINC000466477571 991769817 /nfs/dbraw/zinc/76/98/17/991769817.db2.gz NVOBPZPEIWKING-UHFFFAOYSA-N 0 2 408.907 3.679 20 0 HHADLN CCn1c(=O)oc2cc(S(=O)(=O)Nc3ncc(C4CCCCC4)s3)ccc21 ZINC000467012743 992320206 /nfs/dbraw/zinc/32/02/06/992320206.db2.gz FDGNMXFXZGFYMC-UHFFFAOYSA-N 0 2 407.517 3.919 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2cccc(-c3nc4ccccc4n3C)c2)c1C ZINC000467084835 992390690 /nfs/dbraw/zinc/39/06/90/992390690.db2.gz JKWCRXXCSALQPW-UHFFFAOYSA-N 0 2 409.515 3.874 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CCCc4[nH]ncc43)cc2)cc1 ZINC000467289244 992612811 /nfs/dbraw/zinc/61/28/11/992612811.db2.gz SBPHXURERGXWRB-SFHVURJKSA-N 0 2 410.499 3.578 20 0 HHADLN CCc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 ZINC000467858002 993089452 /nfs/dbraw/zinc/08/94/52/993089452.db2.gz DZEAJIDSISEGEK-UHFFFAOYSA-N 0 2 424.526 3.638 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3csc(Cl)c3)cc2)nc(C)n1 ZINC000467859496 993090860 /nfs/dbraw/zinc/09/08/60/993090860.db2.gz STGYMROQBMSLFP-UHFFFAOYSA-N 0 2 422.919 3.861 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000472182073 993223845 /nfs/dbraw/zinc/22/38/45/993223845.db2.gz LHQISRFJGRIOET-SJLPKXTDSA-N 0 2 409.465 3.658 20 0 HHADLN CCc1c(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cnn1-c1ccc(Cl)cc1 ZINC000472360297 993358647 /nfs/dbraw/zinc/35/86/47/993358647.db2.gz BDYUNSKBNXBHQJ-UHFFFAOYSA-N 0 2 410.890 3.676 20 0 HHADLN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC000472614720 993562693 /nfs/dbraw/zinc/56/26/93/993562693.db2.gz XSXRUZVLMIQVPY-RBUKOAKNSA-N 0 2 412.534 3.563 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCCc2c(C)cccc2C)c(F)c1Cl ZINC000481068165 993908635 /nfs/dbraw/zinc/90/86/35/993908635.db2.gz HUDDXTVMSPUWGO-UHFFFAOYSA-N 0 2 416.877 3.714 20 0 HHADLN Cc1ccc(-c2noc([C@H](C)NC(=O)C3=NN(c4ccccc4)CC3=O)n2)cc1F ZINC000473076728 993994075 /nfs/dbraw/zinc/99/40/75/993994075.db2.gz SWDSTQJRLTWOQL-ZDUSSCGKSA-N 0 2 407.405 3.566 20 0 HHADLN Cn1cc(-c2ncccc2NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cn1 ZINC000473490386 994334518 /nfs/dbraw/zinc/33/45/18/994334518.db2.gz ONTFWAVKZKSKQM-UHFFFAOYSA-N 0 2 401.250 3.729 20 0 HHADLN COC(=O)COc1ccc(NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)cc1 ZINC000481570063 994406503 /nfs/dbraw/zinc/40/65/03/994406503.db2.gz OKWVXXRKBFDCPB-UHFFFAOYSA-N 0 2 424.525 3.533 20 0 HHADLN O=S(=O)(Nc1ccnc(Sc2ccccn2)c1)c1ccc(C(F)(F)F)cn1 ZINC000481588206 994432629 /nfs/dbraw/zinc/43/26/29/994432629.db2.gz SUNCWEFYHWGELO-UHFFFAOYSA-N 0 2 412.418 3.842 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccccc2COc2ccccc2)cnn1-c1ccccn1 ZINC000481605438 994456898 /nfs/dbraw/zinc/45/68/98/994456898.db2.gz FMUCMYMMEXSVPW-UHFFFAOYSA-N 0 2 420.494 3.956 20 0 HHADLN CCCOc1ccc(NS(=O)(=O)c2cnn(-c3ccccn3)c2C)cc1Cl ZINC000481606486 994457900 /nfs/dbraw/zinc/45/79/00/994457900.db2.gz JLKJYUOLXVJXQA-UHFFFAOYSA-N 0 2 406.895 3.819 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1cccc(-c2nccs2)c1 ZINC000473662545 994550024 /nfs/dbraw/zinc/55/00/24/994550024.db2.gz QMGQXRJNEBTARH-UHFFFAOYSA-N 0 2 406.471 3.829 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3nnc(CC(C)C)s3)cc2c1C ZINC000473757724 994668123 /nfs/dbraw/zinc/66/81/23/994668123.db2.gz JAWSYBCESXZTDS-UHFFFAOYSA-N 0 2 423.516 3.769 20 0 HHADLN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3ccnn3CC(C)C)ccc2s1 ZINC000481819021 994669418 /nfs/dbraw/zinc/66/94/18/994669418.db2.gz OQBFDOFNABCITH-UHFFFAOYSA-N 0 2 407.517 3.731 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2nnc(-c3cc(F)ccc3C)s2)ccc1C ZINC000481841054 994695752 /nfs/dbraw/zinc/69/57/52/994695752.db2.gz AAHDOLXOJRFJDJ-UHFFFAOYSA-N 0 2 420.491 3.720 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccs2)o1)c1ccc(F)c(Br)c1 ZINC000481845186 994700834 /nfs/dbraw/zinc/70/08/34/994700834.db2.gz HNBFYXLUXQNKDU-UHFFFAOYSA-N 0 2 404.242 3.501 20 0 HHADLN CC[C@H](C)n1ncc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)c1C1CC1 ZINC000473780896 994703850 /nfs/dbraw/zinc/70/38/50/994703850.db2.gz WONPGYNQDFBPPX-AWEZNQCLSA-N 0 2 409.494 3.750 20 0 HHADLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)s1 ZINC000481850493 994706572 /nfs/dbraw/zinc/70/65/72/994706572.db2.gz YDRPSOGMFVCWHZ-NSHDSACASA-N 0 2 405.476 3.777 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccs2)o1)c1ccc(OC(F)F)c(Cl)c1 ZINC000481850397 994707195 /nfs/dbraw/zinc/70/71/95/994707195.db2.gz WYRNVTKZDMLGBX-UHFFFAOYSA-N 0 2 407.807 3.854 20 0 HHADLN CCc1ccc(-c2noc([C@H](C)NC(=O)N=c3nc(C(C)(C)C)[nH]s3)n2)cc1 ZINC000473799727 994725651 /nfs/dbraw/zinc/72/56/51/994725651.db2.gz LJWKKJDURUARPP-NSHDSACASA-N 0 2 400.508 3.753 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)Nc2nnc(Cc3ccccc3)o2)s1 ZINC000481867838 994729807 /nfs/dbraw/zinc/72/98/07/994729807.db2.gz BHYZWTSYPJUYGN-UHFFFAOYSA-N 0 2 414.306 3.594 20 0 HHADLN Cc1cc(Br)ccc1S(=O)(=O)Nc1nnc(Cc2ccccc2)o1 ZINC000481871711 994734409 /nfs/dbraw/zinc/73/44/09/994734409.db2.gz SVPCUCOYBAYQSR-UHFFFAOYSA-N 0 2 408.277 3.532 20 0 HHADLN C[NH+](C)Cc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1Cl ZINC000481882080 994746680 /nfs/dbraw/zinc/74/66/80/994746680.db2.gz BHPJADRVEURPLF-UHFFFAOYSA-N 0 2 403.729 3.965 20 0 HHADLN Cc1ccsc1-c1nc(=NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)s[n-]1 ZINC000473820738 994749416 /nfs/dbraw/zinc/74/94/16/994749416.db2.gz JMHQVKZFYDGBBG-ZDUSSCGKSA-N 0 2 403.533 3.549 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cc(Br)ccc2Br)oc1C ZINC000481901393 994772861 /nfs/dbraw/zinc/77/28/61/994772861.db2.gz SIBRVFBAWCAFKU-UHFFFAOYSA-N 0 2 410.087 3.617 20 0 HHADLN CNC(=O)c1cc(Oc2cc(NS(=O)(=O)c3sccc3C)ccc2C)ccn1 ZINC000481955375 994837742 /nfs/dbraw/zinc/83/77/42/994837742.db2.gz GCYQPYBFSRLYAD-UHFFFAOYSA-N 0 2 417.512 3.713 20 0 HHADLN CCOC(=O)c1oc(NS(=O)(=O)c2ccc(OCC)c3ccccc32)nc1C ZINC000481959711 994844701 /nfs/dbraw/zinc/84/47/01/994844701.db2.gz ADWCBFKJMRSPLS-UHFFFAOYSA-N 0 2 404.444 3.512 20 0 HHADLN C[C@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1cccc(OC(F)F)c1 ZINC000473897454 994853100 /nfs/dbraw/zinc/85/31/00/994853100.db2.gz RQNLGHPNBVVWIM-ZDUSSCGKSA-N 0 2 417.416 3.546 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NCc1ccc(Cl)cc1Cl ZINC000473899201 994857065 /nfs/dbraw/zinc/85/70/65/994857065.db2.gz WSQMELYUKPVFRW-UHFFFAOYSA-N 0 2 406.273 3.690 20 0 HHADLN CC(=O)Nc1ccc2nc(NS(=O)(=O)c3c(C)ccc4cccnc43)sc2c1 ZINC000481989251 994889669 /nfs/dbraw/zinc/88/96/69/994889669.db2.gz MXSAYIXAFXPZHG-UHFFFAOYSA-N 0 2 412.496 3.912 20 0 HHADLN CCOc1ccccc1[C@@H](CC)NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473932027 994904812 /nfs/dbraw/zinc/90/48/12/994904812.db2.gz KFMOMQVJLJPWQJ-GOSISDBHSA-N 0 2 409.490 3.733 20 0 HHADLN Cc1cccc([C@@H](NC(=O)NCc2nnc(COc3ccccc3)[nH]2)C(F)(F)F)c1 ZINC000482033406 994951483 /nfs/dbraw/zinc/95/14/83/994951483.db2.gz SAAHIZBFPMYEPA-GOSISDBHSA-N 0 2 419.407 3.795 20 0 HHADLN CCc1ccc([C@H]2CN(C(=O)C3=NN(c4ccc(F)cc4C)CC3=O)CCO2)cc1 ZINC000482046203 994968404 /nfs/dbraw/zinc/96/84/04/994968404.db2.gz JROAGEXMFOWRNC-OAQYLSRUSA-N 0 2 409.461 3.802 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000474008546 994998558 /nfs/dbraw/zinc/99/85/58/994998558.db2.gz GFEXDFOEMHHBEI-LJQANCHMSA-N 0 2 421.476 3.958 20 0 HHADLN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474090593 995072361 /nfs/dbraw/zinc/07/23/61/995072361.db2.gz TWEMYCJPOXHOBF-HNNXBMFYSA-N 0 2 413.909 3.810 20 0 HHADLN Cc1c(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cnn1-c1ccccc1Cl ZINC000482246998 995227564 /nfs/dbraw/zinc/22/75/64/995227564.db2.gz VZCKKWSLGGNTQW-UHFFFAOYSA-N 0 2 413.890 3.817 20 0 HHADLN O=C1CCCc2cc(S(=O)(=O)Nc3cc(C4CCCCCC4)n[nH]3)ccc2N1 ZINC000474406854 995373916 /nfs/dbraw/zinc/37/39/16/995373916.db2.gz AWOHYBKANHUFDH-UHFFFAOYSA-N 0 2 402.520 3.923 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cc(C4CCCCCC4)n[nH]3)cc21 ZINC000474432412 995394992 /nfs/dbraw/zinc/39/49/92/995394992.db2.gz KVBCNZCMCRYFDZ-UHFFFAOYSA-N 0 2 416.547 3.947 20 0 HHADLN CC(=O)c1ccc(-c2ccc(C(=O)NCc3nnc(COc4ccccc4)[nH]3)o2)cc1 ZINC000474572250 995534115 /nfs/dbraw/zinc/53/41/15/995534115.db2.gz BIARMOINBYICFK-UHFFFAOYSA-N 0 2 416.437 3.776 20 0 HHADLN O=C(COc1ccc(Cl)c2ccccc12)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474574553 995536569 /nfs/dbraw/zinc/53/65/69/995536569.db2.gz JEVIBUBPADJHSU-UHFFFAOYSA-N 0 2 422.872 3.886 20 0 HHADLN O=C(CCC(=O)c1ccc2c(c1)CCCC2)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474583988 995543342 /nfs/dbraw/zinc/54/33/42/995543342.db2.gz WDKCUPNXAIDHAT-UHFFFAOYSA-N 0 2 418.497 3.542 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000474588389 995547468 /nfs/dbraw/zinc/54/74/68/995547468.db2.gz YNQPQJORRGSWMS-QHCPKHFHSA-N 0 2 414.465 3.820 20 0 HHADLN Cc1ccc(-c2nc3ccc(F)cc3n2C(C)C)cc1NC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000474588916 995547773 /nfs/dbraw/zinc/54/77/73/995547773.db2.gz GIIOAGZNSXZWHV-UHFFFAOYSA-N 0 2 423.452 3.877 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N(C)C[C@H]3COc4ccccc4O3)=N2)cc1 ZINC000474589720 995548122 /nfs/dbraw/zinc/54/81/22/995548122.db2.gz NCFYSRYWDJPCNV-SFHVURJKSA-N 0 2 407.470 3.613 20 0 HHADLN C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474590883 995549174 /nfs/dbraw/zinc/54/91/74/995549174.db2.gz BLHBRSMLWLCJQA-ZDUSSCGKSA-N 0 2 402.907 3.834 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1csc(Cc2cccc(F)c2)n1 ZINC000474596298 995554070 /nfs/dbraw/zinc/55/40/70/995554070.db2.gz TWKRXVWLQKEAFO-UHFFFAOYSA-N 0 2 423.473 3.500 20 0 HHADLN COc1ccc([C@@H](NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)C(C)C)cc1 ZINC000482642977 995637842 /nfs/dbraw/zinc/63/78/42/995637842.db2.gz QFVGJAYUIAZJGL-KRWDZBQOSA-N 0 2 400.504 3.944 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)C1(O)CCC1 ZINC000475404252 996118004 /nfs/dbraw/zinc/11/80/04/996118004.db2.gz LDKDZMPOAZJEAU-UHFFFAOYSA-N 0 2 415.298 3.648 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@H]3CCOC4(CCSCC4)C3)=N2)c1 ZINC000483499051 996219267 /nfs/dbraw/zinc/21/92/67/996219267.db2.gz ZASQRUXWJYQIII-KRWDZBQOSA-N 0 2 415.559 3.876 20 0 HHADLN Cc1nc(-c2ccccc2NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cs1 ZINC000475836994 996405121 /nfs/dbraw/zinc/40/51/21/996405121.db2.gz UNLHXFIUZOIKMZ-UHFFFAOYSA-N 0 2 402.423 3.678 20 0 HHADLN Cc1ccc(C(C)(C)C)cc1S(O)=CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000475871004 996433943 /nfs/dbraw/zinc/43/39/43/996433943.db2.gz QXASGXBGHPHERG-GDLZYMKVSA-N 0 2 420.619 3.506 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC[C@]3(C2)OCc2ccccc23)=N1 ZINC000483869246 996437930 /nfs/dbraw/zinc/43/79/30/996437930.db2.gz YLTFQZMFLKDSNP-XMMPIXPASA-N 0 2 403.482 3.802 20 0 HHADLN O=S(=O)(Nc1nc2ccc(Br)cn2n1)c1ccc(Cl)c(Cl)c1 ZINC000484021807 996526019 /nfs/dbraw/zinc/52/60/19/996526019.db2.gz VPALEVQDVNHZCV-UHFFFAOYSA-N 0 2 422.091 3.599 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(Br)cc3OC)s[nH]2)c1 ZINC000476289483 996734279 /nfs/dbraw/zinc/73/42/79/996734279.db2.gz JBYDBAKIOCFJHL-UHFFFAOYSA-N 0 2 420.288 3.659 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(C(C)C)nc4onc(C)c43)s[nH]2)c1 ZINC000476292402 996735507 /nfs/dbraw/zinc/73/55/07/996735507.db2.gz YEFAXOQMRYPIBY-UHFFFAOYSA-N 0 2 409.471 3.856 20 0 HHADLN C/C=C\c1ccc(OCC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)c(OC)c1 ZINC000476328115 996758338 /nfs/dbraw/zinc/75/83/38/996758338.db2.gz XKKVXIHTGBOCJP-XQRVVYSFSA-N 0 2 411.483 3.695 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(F)cc3Br)s[nH]2)c1 ZINC000476367949 996799517 /nfs/dbraw/zinc/79/95/17/996799517.db2.gz UDZAMONYFURHNR-UHFFFAOYSA-N 0 2 408.252 3.790 20 0 HHADLN CCc1cc(O)ccc1NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000484523916 996855178 /nfs/dbraw/zinc/85/51/78/996855178.db2.gz FRZRHAZHVHDKAM-UHFFFAOYSA-N 0 2 418.500 3.856 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)c1 ZINC000476406076 996864372 /nfs/dbraw/zinc/86/43/72/996864372.db2.gz NGHFUCIGYWDJTP-UHFFFAOYSA-N 0 2 415.471 3.740 20 0 HHADLN COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2ccnn2Cc2sccc2C)c1 ZINC000476406731 996865897 /nfs/dbraw/zinc/86/58/97/996865897.db2.gz DXSIJFXSGSKJMW-UHFFFAOYSA-N 0 2 419.528 3.506 20 0 HHADLN CC[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccs1 ZINC000476421695 996887274 /nfs/dbraw/zinc/88/72/74/996887274.db2.gz ZNEIFZJHNRDDKK-AWEZNQCLSA-N 0 2 407.542 3.887 20 0 HHADLN C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476424193 996891087 /nfs/dbraw/zinc/89/10/87/996891087.db2.gz QSJUQIXJZMVCOJ-SCLBCKFNSA-N 0 2 413.524 3.607 20 0 HHADLN C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1c(F)cccc1F ZINC000484564726 996897863 /nfs/dbraw/zinc/89/78/63/996897863.db2.gz NAPXYJHABZHAHL-NSHDSACASA-N 0 2 423.466 3.964 20 0 HHADLN Cc1cc(Br)ccc1S(=O)(=O)Nc1nnc(-c2cccs2)o1 ZINC000476448850 996921348 /nfs/dbraw/zinc/92/13/48/996921348.db2.gz VIIHQJXCXFAXBI-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)o2)cc1 ZINC000476450515 996923244 /nfs/dbraw/zinc/92/32/44/996923244.db2.gz CGLIWKFTSVUSDT-UHFFFAOYSA-N 0 2 413.377 3.955 20 0 HHADLN CC(C)(NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccs1 ZINC000476534481 997024405 /nfs/dbraw/zinc/02/44/05/997024405.db2.gz LSAXSBKAQQSRIO-UHFFFAOYSA-N 0 2 407.542 3.671 20 0 HHADLN COc1cccc(C[C@@H](NC(C)=O)C(=O)Nc2cc3sc(C)nc3cc2Cl)c1 ZINC000484709625 997048782 /nfs/dbraw/zinc/04/87/82/997048782.db2.gz NDTUMMANKUJCAB-GOSISDBHSA-N 0 2 417.918 3.953 20 0 HHADLN O=S(=O)(Cc1ccc(OCc2ccc(F)cc2)cc1)C[C@H](O)Cc1ccccc1 ZINC000484710034 997048956 /nfs/dbraw/zinc/04/89/56/997048956.db2.gz SDKLEPFNKRSRAG-JOCHJYFZSA-N 0 2 414.498 3.923 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H](c2ccccc2)c2ccccn2)=N1 ZINC000484709620 997048975 /nfs/dbraw/zinc/04/89/75/997048975.db2.gz MZBHVZWMGOOWOS-NRFANRHFSA-N 0 2 402.429 3.940 20 0 HHADLN CCN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)cc1 ZINC000476711304 997253792 /nfs/dbraw/zinc/25/37/92/997253792.db2.gz CJXFNMHWWNASND-UHFFFAOYSA-N 0 2 405.476 3.750 20 0 HHADLN Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)s1 ZINC000476753260 997309458 /nfs/dbraw/zinc/30/94/58/997309458.db2.gz AOSOAQWBDPODKC-UHFFFAOYSA-N 0 2 407.542 3.586 20 0 HHADLN COC(=O)CSCc1cccc(NS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000485007814 997372167 /nfs/dbraw/zinc/37/21/67/997372167.db2.gz ZYTWQATVEVUMOL-UHFFFAOYSA-N 0 2 403.884 3.686 20 0 HHADLN CCc1nc(NS(=O)(=O)c2cc(Br)c(C)cc2OC)sc1C ZINC000476912831 997520473 /nfs/dbraw/zinc/52/04/73/997520473.db2.gz HLIDPTZHOOEFSP-UHFFFAOYSA-N 0 2 405.339 3.894 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c1 ZINC000476915738 997524465 /nfs/dbraw/zinc/52/44/65/997524465.db2.gz PIAOWCWPPLZRSN-VIFPVBQESA-N 0 2 417.350 3.840 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cccc3ncccc32)nc1C(C)(C)C ZINC000476921153 997532138 /nfs/dbraw/zinc/53/21/38/997532138.db2.gz FPHPJCAIXQXTAR-UHFFFAOYSA-N 0 2 405.501 3.576 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc3ncccc3c2)nc1C(C)(C)C ZINC000476935511 997550309 /nfs/dbraw/zinc/55/03/09/997550309.db2.gz CCSSCWYQVDPIRF-UHFFFAOYSA-N 0 2 405.501 3.576 20 0 HHADLN O=C(NC1CC1)c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000485320503 997732023 /nfs/dbraw/zinc/73/20/23/997732023.db2.gz OKAQJEFRBCHXCR-UHFFFAOYSA-N 0 2 402.369 3.538 20 0 HHADLN C[C@@H]1CCC[C@H](C)[C@H]1NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485359423 997783954 /nfs/dbraw/zinc/78/39/54/997783954.db2.gz QSTCXLAFHRYWGL-VIKVFOODSA-N 0 2 408.549 3.890 20 0 HHADLN CC[C@]1(C)CCCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000485360509 997784520 /nfs/dbraw/zinc/78/45/20/997784520.db2.gz SPNGXTDMQUWKTA-GOSISDBHSA-N 0 2 408.549 3.988 20 0 HHADLN C[C@H]1CCC[C@@H](N(C)C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000485360308 997784549 /nfs/dbraw/zinc/78/45/49/997784549.db2.gz QNIUIWLUJVGDJS-DZGCQCFKSA-N 0 2 408.549 3.986 20 0 HHADLN C[C@H](CCc1ccco1)NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485361748 997786458 /nfs/dbraw/zinc/78/64/58/997786458.db2.gz BMBPJPURDNHRQD-CYBMUJFWSA-N 0 2 420.516 3.680 20 0 HHADLN CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485392042 997820064 /nfs/dbraw/zinc/82/00/64/997820064.db2.gz SKYJNJVUWQVGEH-UHFFFAOYSA-N 0 2 417.314 3.895 20 0 HHADLN COc1ccc(COCc2cccc(NS(=O)(=O)c3c(Cl)cnn3C)c2)cc1 ZINC000485395440 997823705 /nfs/dbraw/zinc/82/37/05/997823705.db2.gz FGWCVANSMJPAPX-UHFFFAOYSA-N 0 2 421.906 3.600 20 0 HHADLN CCOC(=O)c1ccc(NS(=O)(=O)c2cc(Br)c(F)cc2F)cc1 ZINC000485415736 997848879 /nfs/dbraw/zinc/84/88/79/997848879.db2.gz YWNMPIMHKUUQJA-UHFFFAOYSA-N 0 2 420.231 3.705 20 0 HHADLN COCCOc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)ccc1OC ZINC000485427278 997864708 /nfs/dbraw/zinc/86/47/08/997864708.db2.gz IVUYTUABHXTMDR-UHFFFAOYSA-N 0 2 423.384 3.679 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2OCC(F)F)c2ccccc12 ZINC000477241477 997914611 /nfs/dbraw/zinc/91/46/11/997914611.db2.gz DYBRZAQXQWVGIQ-UHFFFAOYSA-N 0 2 421.425 3.638 20 0 HHADLN O=C(Cc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485496583 997951227 /nfs/dbraw/zinc/95/12/27/997951227.db2.gz UJNPFGDSLKITTH-UHFFFAOYSA-N 0 2 412.496 3.606 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2C)c2ccccc12 ZINC000477282495 997962692 /nfs/dbraw/zinc/96/26/92/997962692.db2.gz ZCSSXMPPKNFGKJ-UHFFFAOYSA-N 0 2 400.504 3.760 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NCc3cc(COC(C)(C)C)on3)=N2)cc1 ZINC000485585427 998033555 /nfs/dbraw/zinc/03/35/55/998033555.db2.gz ZIQQRGQPOAFWKP-UHFFFAOYSA-N 0 2 412.490 3.934 20 0 HHADLN COCCOc1ccc(Br)cc1NS(=O)(=O)c1ccccc1Cl ZINC000477359074 998047432 /nfs/dbraw/zinc/04/74/32/998047432.db2.gz JVTZGOOKVAZQCM-UHFFFAOYSA-N 0 2 420.712 3.929 20 0 HHADLN CCN(CC)C(=O)Nc1ccc([C@@H](C)NC(=O)C2=NN(c3ccccc3)CC2=O)cc1 ZINC000485714031 998181607 /nfs/dbraw/zinc/18/16/07/998181607.db2.gz XJWNSDHZYDYKCM-MRXNPFEDSA-N 0 2 421.501 3.943 20 0 HHADLN Cc1ccc(-n2cnc3c2CCN(C(=O)N=c2nc(-c4ccccc4)[nH]s2)C3)cc1 ZINC000486244899 998672373 /nfs/dbraw/zinc/67/23/73/998672373.db2.gz OTOFOBQQLVXFBZ-UHFFFAOYSA-N 0 2 416.510 3.711 20 0 HHADLN CC(C)(C)OCc1cc(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)no1 ZINC000486516379 998802843 /nfs/dbraw/zinc/80/28/43/998802843.db2.gz JFYPTWKQTVXVQN-UHFFFAOYSA-N 0 2 421.910 3.905 20 0 HHADLN C[C@@H](Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000486581740 998839661 /nfs/dbraw/zinc/83/96/61/998839661.db2.gz BUOFYVWTSKFAGC-AWEZNQCLSA-N 0 2 401.513 3.761 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2nc(C)c(Cc3cccc(F)c3)s2)c1 ZINC000486648979 998875264 /nfs/dbraw/zinc/87/52/64/998875264.db2.gz UXBLAKYPQUGJPA-UHFFFAOYSA-N 0 2 422.503 3.999 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cnn(-c2cccc(Cl)c2)c1 ZINC000478318846 998884915 /nfs/dbraw/zinc/88/49/15/998884915.db2.gz YNFKWUDILABFNU-UHFFFAOYSA-N 0 2 400.776 3.841 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC000486731419 998912220 /nfs/dbraw/zinc/91/22/20/998912220.db2.gz GAISRWFQAFVRIA-UHFFFAOYSA-N 0 2 421.500 3.565 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)ns2)c(Br)c1 ZINC000486768509 998931650 /nfs/dbraw/zinc/93/16/50/998931650.db2.gz DOJLJAIIYQRPKP-UHFFFAOYSA-N 0 2 416.347 3.560 20 0 HHADLN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c(F)c1 ZINC000487198122 999094380 /nfs/dbraw/zinc/09/43/80/999094380.db2.gz JNHMLLDIVKXWMQ-UHFFFAOYSA-N 0 2 414.462 3.594 20 0 HHADLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2cc(F)c(Br)cc2F)n1 ZINC000479106410 999296737 /nfs/dbraw/zinc/29/67/37/999296737.db2.gz JLIWRMOUIFBECQ-UHFFFAOYSA-N 0 2 418.263 3.758 20 0 HHADLN CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc4c(cccc4Cl)s3)ccc21 ZINC000479107892 999297573 /nfs/dbraw/zinc/29/75/73/999297573.db2.gz MFVWGMOTWRQPJM-UHFFFAOYSA-N 0 2 409.876 3.678 20 0 HHADLN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2nnc(C=Cc3ccco3)s2)cc1 ZINC000479272602 999358534 /nfs/dbraw/zinc/35/85/34/999358534.db2.gz BPNJEDGIZMDSRP-JXMROGBWSA-N 0 2 403.485 3.941 20 0 HHADLN O=S(=O)(Nc1ccc2c[nH]nc2c1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000488289153 999425032 /nfs/dbraw/zinc/42/50/32/999425032.db2.gz FOZJGKIQXAMIDR-INIZCTEOSA-N 0 2 421.906 3.965 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1cnn(-c2cc(C)ccc2C)c1C ZINC000479491024 999441986 /nfs/dbraw/zinc/44/19/86/999441986.db2.gz RRVGMIWVELWHGE-UHFFFAOYSA-N 0 2 401.488 3.616 20 0 HHADLN CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2c(OC)cccc2OC)cc1 ZINC000479493821 999443499 /nfs/dbraw/zinc/44/34/99/999443499.db2.gz BXNQPFDEWXSEPI-UHFFFAOYSA-N 0 2 420.531 3.767 20 0 HHADLN COC(=O)c1sc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)nc1C ZINC000479507066 999449801 /nfs/dbraw/zinc/44/98/01/999449801.db2.gz ZABNAUIEAVEJNT-UHFFFAOYSA-N 0 2 421.276 3.643 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2ccc3occ(C)c3c2)c1 ZINC000479544530 999469864 /nfs/dbraw/zinc/46/98/64/999469864.db2.gz NJRUTQDLWXSOCP-UHFFFAOYSA-N 0 2 407.419 3.866 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)ccc1C ZINC000479551456 999473118 /nfs/dbraw/zinc/47/31/18/999473118.db2.gz MADBLPQGOSAZKK-UHFFFAOYSA-N 0 2 404.879 3.593 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c3cccnc23)cc1C ZINC000479554701 999475036 /nfs/dbraw/zinc/47/50/36/999475036.db2.gz MMCHCEVMQHVFGN-UHFFFAOYSA-N 0 2 422.409 3.732 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC(F)F)c3cccnc23)c1 ZINC000479562807 999479127 /nfs/dbraw/zinc/47/91/27/999479127.db2.gz ZWHRJDWAAZBMPN-UHFFFAOYSA-N 0 2 410.398 3.654 20 0 HHADLN CCCc1csc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)n1 ZINC000488417493 999481382 /nfs/dbraw/zinc/48/13/82/999481382.db2.gz DWHQHDAXFKVIAJ-LBPRGKRZSA-N 0 2 416.952 3.965 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccccc2N2CCCCCC2)c(OC)c1 ZINC000488636712 999553660 /nfs/dbraw/zinc/55/36/60/999553660.db2.gz AUMJSJMJKCLZOJ-UHFFFAOYSA-N 0 2 420.531 3.894 20 0 HHADLN O=C(Nc1nc(-c2ccco2)n[nH]1)c1coc(-c2ccc(Br)cc2F)n1 ZINC000488997276 999667672 /nfs/dbraw/zinc/66/76/72/999667672.db2.gz BLBAQVFNAKLOPY-UHFFFAOYSA-N 0 2 418.182 3.874 20 0 HHADLN CCOC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccc(C)c(NC(C)=O)c1 ZINC000480097695 999716382 /nfs/dbraw/zinc/71/63/82/999716382.db2.gz MXJFGUKQTIDUOJ-UHFFFAOYSA-N 0 2 410.517 3.609 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000480182103 999738386 /nfs/dbraw/zinc/73/83/86/999738386.db2.gz UDGFXUWOJAAIOP-HNNXBMFYSA-N 0 2 420.844 3.592 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)c1C(C)C ZINC000480195748 999741952 /nfs/dbraw/zinc/74/19/52/999741952.db2.gz DCCQKZWQGIJLBK-UHFFFAOYSA-N 0 2 401.536 3.852 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)c(F)c1 ZINC000480198758 999742769 /nfs/dbraw/zinc/74/27/69/999742769.db2.gz UKVKHMJJHZKIKX-HNNXBMFYSA-N 0 2 420.506 3.958 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)COC3)cnn1-c1cccc(Cl)c1 ZINC000480219248 999748480 /nfs/dbraw/zinc/74/84/80/999748480.db2.gz DNADPOYWFQYIGL-UHFFFAOYSA-N 0 2 403.891 3.919 20 0 HHADLN Cc1ccc(-n2ncc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)c2C(C)C)cc1 ZINC000480224497 999749733 /nfs/dbraw/zinc/74/97/33/999749733.db2.gz ZOMVCYJLXXLXDC-UHFFFAOYSA-N 0 2 410.499 3.600 20 0 HHADLN CCc1c(NS(=O)(=O)c2cc(OC)cc(OC)c2)cnn1-c1ccc(Cl)cc1 ZINC000480242019 999754360 /nfs/dbraw/zinc/75/43/60/999754360.db2.gz OXZNHJMIWGZWDX-UHFFFAOYSA-N 0 2 421.906 3.906 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccc(C(F)F)cc1 ZINC000490058216 999886913 /nfs/dbraw/zinc/88/69/13/999886913.db2.gz JZRACYFEWZTTMD-UHFFFAOYSA-N 0 2 410.427 3.529 20 0 HHADLN O=C(C/C=C/c1ccccc1F)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000490091047 999891917 /nfs/dbraw/zinc/89/19/17/999891917.db2.gz RNWBNWYZBPYZIN-HWKANZROSA-N 0 2 418.475 3.520 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)ccc1Br ZINC000491469801 1000077555 /nfs/dbraw/zinc/07/75/55/1000077555.db2.gz OFUURQNRDTZFFM-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)cnn1CCC(C)C ZINC000491608814 1000090078 /nfs/dbraw/zinc/09/00/78/1000090078.db2.gz BJJJSIQWOYXIGL-UHFFFAOYSA-N 0 2 412.943 3.904 20 0 HHADLN Cc1c(C)c(C)c(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ncccn2)c(C)c1C ZINC000492080810 1000108708 /nfs/dbraw/zinc/10/87/08/1000108708.db2.gz NRJOTOALLIFMRO-UHFFFAOYSA-N 0 2 411.531 3.883 20 0 HHADLN Cc1c(Cl)cccc1S(=O)(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC000492083623 1000108916 /nfs/dbraw/zinc/10/89/16/1000108916.db2.gz UNNXCGDVKAGKKP-UHFFFAOYSA-N 0 2 405.911 3.722 20 0 HHADLN CCCOc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)cc1 ZINC000492162533 1000112718 /nfs/dbraw/zinc/11/27/18/1000112718.db2.gz VIFSGKUBASKXDA-UHFFFAOYSA-N 0 2 415.519 3.549 20 0 HHADLN Cc1ccc(F)c(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1Br ZINC000493179957 1000161751 /nfs/dbraw/zinc/16/17/51/1000161751.db2.gz IVRRGNHWANRBQY-UHFFFAOYSA-N 0 2 410.268 3.879 20 0 HHADLN O=C(Nc1ccc(Oc2ccncc2)c(Cl)c1)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000504732394 1000346142 /nfs/dbraw/zinc/34/61/42/1000346142.db2.gz RIAXPRURXSCPLH-UHFFFAOYSA-N 0 2 409.789 3.529 20 0 HHADLN CC(C)c1nnc2n1CCN(C(=O)C1=NN(c3cccc(C(C)C)c3)CC1=O)[C@@H]2C ZINC000504782172 1000367530 /nfs/dbraw/zinc/36/75/30/1000367530.db2.gz LLMDDENXNDYIAE-OAHLLOKOSA-N 0 2 408.506 3.633 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)CCCC(F)(F)F)c(F)c1Cl ZINC000494354802 1000450921 /nfs/dbraw/zinc/45/09/21/1000450921.db2.gz XZDYCJWSPNWBRR-SSDOTTSWSA-N 0 2 422.803 3.976 20 0 HHADLN CC[C@H](CC(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1ccccc1 ZINC000504997745 1000497364 /nfs/dbraw/zinc/49/73/64/1000497364.db2.gz DUDRSBUFANAKJR-CQSZACIVSA-N 0 2 416.528 3.861 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cnccc1Oc1ccccc1 ZINC000505979614 1001140610 /nfs/dbraw/zinc/14/06/10/1001140610.db2.gz SNKFOGLDYLFWOC-UHFFFAOYSA-N 0 2 401.426 3.501 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000506197224 1001273014 /nfs/dbraw/zinc/27/30/14/1001273014.db2.gz UKRSSCQMBZYYBE-HNNXBMFYSA-N 0 2 401.825 3.664 20 0 HHADLN O=C(NCc1nnc(C2CC2)o1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000506389769 1001391743 /nfs/dbraw/zinc/39/17/43/1001391743.db2.gz SFBISSCKWDQHLI-UHFFFAOYSA-N 0 2 402.410 3.511 20 0 HHADLN O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1NS(=O)(=O)c1ccsc1 ZINC000506560868 1001459521 /nfs/dbraw/zinc/45/95/21/1001459521.db2.gz KEEZCJHFINDVLD-UHFFFAOYSA-N 0 2 416.480 3.572 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)cc1 ZINC000506583685 1001464048 /nfs/dbraw/zinc/46/40/48/1001464048.db2.gz KWMYQXOEHYRHOD-UHFFFAOYSA-N 0 2 404.271 3.980 20 0 HHADLN Cn1ccnc1Sc1ccccc1NS(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000506625558 1001475419 /nfs/dbraw/zinc/47/54/19/1001475419.db2.gz TUKYVQPCHLPKHE-UHFFFAOYSA-N 0 2 406.533 3.799 20 0 HHADLN Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NS(=O)(=O)c3ccoc3)cc2Cl)n1 ZINC000506706857 1001500009 /nfs/dbraw/zinc/50/00/09/1001500009.db2.gz IKWGAXQALPYYGE-CYBMUJFWSA-N 0 2 422.894 3.747 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(OC)c(F)c1 ZINC000506720166 1001504431 /nfs/dbraw/zinc/50/44/31/1001504431.db2.gz QFEKCWOTAQUJKG-UHFFFAOYSA-N 0 2 408.234 3.729 20 0 HHADLN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)cc1Cl ZINC000497801969 1001518423 /nfs/dbraw/zinc/51/84/23/1001518423.db2.gz FLOUHICFAOFCEQ-UHFFFAOYSA-N 0 2 408.892 3.553 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(C)c(C)c3ncccc23)c1 ZINC000506804197 1001539074 /nfs/dbraw/zinc/53/90/74/1001539074.db2.gz BHBZZRMXWXLCEF-UHFFFAOYSA-N 0 2 414.483 3.838 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)n(-c2ccc(C)nn2)n1 ZINC000506805969 1001539869 /nfs/dbraw/zinc/53/98/69/1001539869.db2.gz MMGMTARKVUNCTI-UHFFFAOYSA-N 0 2 405.483 3.747 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ncc(-c3ccccc3)s2)c1 ZINC000506852167 1001565352 /nfs/dbraw/zinc/56/53/52/1001565352.db2.gz UEDNBUOZQWOPPM-UHFFFAOYSA-N 0 2 418.496 3.796 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3C[C@H](C)O[C@@H](c4ccsc4)C3)s[nH]2)c1 ZINC000498222879 1001706422 /nfs/dbraw/zinc/70/64/22/1001706422.db2.gz AGTVWRUVAPYAPL-BLLLJJGKSA-N 0 2 416.528 3.691 20 0 HHADLN O=S(=O)(Nc1ccc(OC(F)F)cc1OC(F)F)c1cncc(Cl)c1 ZINC000507022512 1001768629 /nfs/dbraw/zinc/76/86/29/1001768629.db2.gz SUGWMRNJEPCLHZ-UHFFFAOYSA-N 0 2 400.737 3.739 20 0 HHADLN CC[C@H]1C[C@]1(NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1cccc(C)c1 ZINC000507360507 1002023054 /nfs/dbraw/zinc/02/30/54/1002023054.db2.gz NLDZTIKDGIOUOW-GAJHUEQPSA-N 0 2 405.502 3.817 20 0 HHADLN C[C@H]1C[C@]1(NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc(Cl)cc1 ZINC000507363226 1002024512 /nfs/dbraw/zinc/02/45/12/1002024512.db2.gz SKPFGKHRNYTRBK-LHSJRXKWSA-N 0 2 411.893 3.772 20 0 HHADLN C[C@@H]1C[C@@]1(NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc(Cl)cc1 ZINC000507363230 1002024680 /nfs/dbraw/zinc/02/46/80/1002024680.db2.gz SKPFGKHRNYTRBK-SZNDQCEHSA-N 0 2 411.893 3.772 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)NCC2(C3CCCCC3)CCCCC2)s[nH]1 ZINC000498681810 1002072368 /nfs/dbraw/zinc/07/23/68/1002072368.db2.gz NPHQWEAAUUYVCQ-UHFFFAOYSA-N 0 2 406.596 3.843 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H](c2nccs2)C(F)(F)F)=N1 ZINC000507558501 1002163705 /nfs/dbraw/zinc/16/37/05/1002163705.db2.gz RHMSJPRBMPKHSO-ZDUSSCGKSA-N 0 2 400.357 3.515 20 0 HHADLN O=S(=O)(Nc1cc(F)c(F)cc1N1CCOCC1)c1csc2ccccc21 ZINC000507618978 1002223439 /nfs/dbraw/zinc/22/34/39/1002223439.db2.gz FLUFRWGBQQZLRO-UHFFFAOYSA-N 0 2 410.467 3.817 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000507642464 1002243307 /nfs/dbraw/zinc/24/33/07/1002243307.db2.gz CKGSUYDWRFJINK-UHFFFAOYSA-N 0 2 405.520 3.701 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2cnn(C(CC)CC)c2CC)c1 ZINC000507906611 1002441365 /nfs/dbraw/zinc/44/13/65/1002441365.db2.gz RYKJMYQNTKGIHM-UHFFFAOYSA-N 0 2 407.536 3.713 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(C)nc2)cnn1-c1cc(F)c(OC)cc1F ZINC000507918089 1002452374 /nfs/dbraw/zinc/45/23/74/1002452374.db2.gz NSWWOLCOGSZJKM-UHFFFAOYSA-N 0 2 422.457 3.616 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cnn(CC(C)C)c1C ZINC000507924390 1002458622 /nfs/dbraw/zinc/45/86/22/1002458622.db2.gz XSGSKGMGCADQGU-UHFFFAOYSA-N 0 2 420.318 3.742 20 0 HHADLN CCOC(=O)c1cc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cn1C ZINC000507934218 1002468154 /nfs/dbraw/zinc/46/81/54/1002468154.db2.gz FIDSYYBPGWCYOF-UHFFFAOYSA-N 0 2 410.801 3.675 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)F)c2)o1)c1cc(F)cc(Cl)c1 ZINC000508086579 1002608971 /nfs/dbraw/zinc/60/89/71/1002608971.db2.gz TVQRFRWTJCJTCZ-UHFFFAOYSA-N 0 2 419.768 3.931 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccccn2)s1)c1ccc(F)cc1Br ZINC000508095048 1002619783 /nfs/dbraw/zinc/61/97/83/1002619783.db2.gz MOMLJXSXYQZHEA-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(-c3ccc(F)cc3)nc(C)n2)c(C)c1F ZINC000508098120 1002623034 /nfs/dbraw/zinc/62/30/34/1002623034.db2.gz VVLSXNWWLIWMIB-UHFFFAOYSA-N 0 2 405.426 3.848 20 0 HHADLN C[C@H]1Cc2cc(S(=O)(=O)Nc3nc4c(s3)CSCC4)cc(Cl)c2O1 ZINC000508099568 1002624870 /nfs/dbraw/zinc/62/48/70/1002624870.db2.gz YGCVRZJVPAZPLZ-QMMMGPOBSA-N 0 2 402.950 3.710 20 0 HHADLN O=S(=O)(Nc1nc2c(cccc2Br)s1)c1ccc2c(c1)COC2 ZINC000508105254 1002630626 /nfs/dbraw/zinc/63/06/26/1002630626.db2.gz WIMYIGSCGXKQST-UHFFFAOYSA-N 0 2 411.302 3.890 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)F)c2)o1)c1cnc2ccsc2c1 ZINC000508110331 1002636538 /nfs/dbraw/zinc/63/65/38/1002636538.db2.gz PPBANMHZZZVPTM-UHFFFAOYSA-N 0 2 424.410 3.749 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)ccc1Br ZINC000508112919 1002640558 /nfs/dbraw/zinc/64/05/58/1002640558.db2.gz PCDKFSMTYVFWAJ-UHFFFAOYSA-N 0 2 417.350 3.909 20 0 HHADLN O=S(=O)(Nc1csc(-c2ccccn2)n1)c1ccc(OCC(F)(F)F)cc1 ZINC000508129293 1002660676 /nfs/dbraw/zinc/66/06/76/1002660676.db2.gz UBDATIWZDDCSGY-UHFFFAOYSA-N 0 2 415.418 3.947 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cccc(Oc4ccncc4)c3)cnc2c1Cl ZINC000499265241 1002669112 /nfs/dbraw/zinc/66/91/12/1002669112.db2.gz JMZFSVIJAAZMSN-UHFFFAOYSA-N 0 2 415.862 3.679 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)F)c2)o1)c1ccc(F)cc1Cl ZINC000508148088 1002683332 /nfs/dbraw/zinc/68/33/32/1002683332.db2.gz YQECXJKZPTYAIV-UHFFFAOYSA-N 0 2 419.768 3.931 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2cc(N(C)C)ccc2Br)c1C ZINC000499285814 1002697035 /nfs/dbraw/zinc/69/70/35/1002697035.db2.gz JCELKWDAUHPQSN-UHFFFAOYSA-N 0 2 415.357 3.621 20 0 HHADLN O=S(=O)(Nc1nc2ccc(I)cc2s1)c1ccsc1 ZINC000508190825 1002725858 /nfs/dbraw/zinc/72/58/58/1002725858.db2.gz AHSNPCBDYYOBPR-UHFFFAOYSA-N 0 2 422.294 3.763 20 0 HHADLN Cc1cc(Br)cc(S(=O)(=O)Nc2nnc(-c3ccc(F)cc3)o2)c1 ZINC000508196094 1002731296 /nfs/dbraw/zinc/73/12/96/1002731296.db2.gz QOXHWOYBXCRKLP-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN COCCc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)ncn2)cc1 ZINC000508251319 1002772746 /nfs/dbraw/zinc/77/27/46/1002772746.db2.gz WGQACXQLLLCGKK-UHFFFAOYSA-N 0 2 403.891 3.787 20 0 HHADLN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)C2=NN(c3ccc(F)cc3)CC2=O)c1 ZINC000499630090 1002997014 /nfs/dbraw/zinc/99/70/14/1002997014.db2.gz GZTPEOBHBRDXIE-AWEZNQCLSA-N 0 2 410.449 3.632 20 0 HHADLN O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000499819172 1003155255 /nfs/dbraw/zinc/15/52/55/1003155255.db2.gz RTFVWHZAQWCHSB-HNNXBMFYSA-N 0 2 411.408 3.591 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CC[C@@H](Oc4cccc(Cl)c4)C3)=N2)cc1 ZINC000499876407 1003212520 /nfs/dbraw/zinc/21/25/20/1003212520.db2.gz NBIGKTYAVROJNQ-GOSISDBHSA-N 0 2 413.861 3.533 20 0 HHADLN C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000500013373 1003340001 /nfs/dbraw/zinc/34/00/01/1003340001.db2.gz XXJUSCVKLVYYRQ-YJYMSZOUSA-N 0 2 415.852 3.973 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(N(C)C)nc4ccccc43)s[nH]2)c1 ZINC000508915846 1003355226 /nfs/dbraw/zinc/35/52/26/1003355226.db2.gz GRGIIGZVKOTQNO-UHFFFAOYSA-N 0 2 405.483 3.502 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCCCC[C@H]3[C@@H]3CCCCC3=O)=N2)cc1 ZINC000500126631 1003488028 /nfs/dbraw/zinc/48/80/28/1003488028.db2.gz XKZAPJSJVLGACT-OALUTQOASA-N 0 2 411.502 3.731 20 0 HHADLN O=C(N[C@H](c1ccc(F)cc1)c1ccccc1Cl)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000509027122 1003498557 /nfs/dbraw/zinc/49/85/57/1003498557.db2.gz CQDDBLVXNBGBKV-QGZVFWFLSA-N 0 2 424.819 3.748 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCCCC[C@@H]3CC(=O)c3ccco3)=N2)cc1 ZINC000500142667 1003501786 /nfs/dbraw/zinc/50/17/86/1003501786.db2.gz GPCZUBDOQHJVTF-QGZVFWFLSA-N 0 2 423.469 3.837 20 0 HHADLN CO[C@@H](C)CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1Cl ZINC000509094009 1003548191 /nfs/dbraw/zinc/54/81/91/1003548191.db2.gz AAUNVTNORQWZLI-NSHDSACASA-N 0 2 400.859 3.508 20 0 HHADLN CCOC(=O)c1cccc(NS(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000500291661 1003603389 /nfs/dbraw/zinc/60/33/89/1003603389.db2.gz QCRGGIKPNAZDKR-UHFFFAOYSA-N 0 2 402.241 3.566 20 0 HHADLN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1nnc(Cc2ccccc2F)o1 ZINC000509238943 1003646001 /nfs/dbraw/zinc/64/60/01/1003646001.db2.gz ISPLIGXJHMQMKV-UHFFFAOYSA-N 0 2 415.368 3.928 20 0 HHADLN CCN(CC)C(=O)Cn1ccc2cc(NS(=O)(=O)c3ccc(C)s3)ccc21 ZINC000500348551 1003646924 /nfs/dbraw/zinc/64/69/24/1003646924.db2.gz OCFGQXCLXNLRLZ-UHFFFAOYSA-N 0 2 405.545 3.680 20 0 HHADLN O=C1CCCN1c1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000500354130 1003653016 /nfs/dbraw/zinc/65/30/16/1003653016.db2.gz GSRHKIGXDXUYIO-UHFFFAOYSA-N 0 2 413.268 3.516 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)cc1OC ZINC000500476786 1003738121 /nfs/dbraw/zinc/73/81/21/1003738121.db2.gz WLZUKIZCKZQWKJ-UHFFFAOYSA-N 0 2 412.876 3.546 20 0 HHADLN CO[C@@H]1CCC[C@@H](Oc2ccnc(NS(=O)(=O)c3cccc(C)c3Cl)n2)C1 ZINC000500572689 1003791967 /nfs/dbraw/zinc/79/19/67/1003791967.db2.gz QWZWRHFWFBPRTL-ZIAGYGMSSA-N 0 2 411.911 3.576 20 0 HHADLN COC(=O)c1c(F)cc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)cc1F ZINC000509377692 1003806537 /nfs/dbraw/zinc/80/65/37/1003806537.db2.gz HHKHSMFSZBNIJR-UHFFFAOYSA-N 0 2 413.295 3.710 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)NC3CCN(c4nccs4)CC3)=N2)c1 ZINC000500680793 1003889460 /nfs/dbraw/zinc/88/94/60/1003889460.db2.gz CCYKNYFFXVBPJS-UHFFFAOYSA-N 0 2 411.531 3.557 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)c(C(F)(F)F)c1 ZINC000509555881 1003942370 /nfs/dbraw/zinc/94/23/70/1003942370.db2.gz MBUAMXZLQRFYBE-UHFFFAOYSA-N 0 2 411.405 3.760 20 0 HHADLN O=S(=O)(Nc1cccc(OCc2cccnc2)c1)c1cnn(Cc2ccccc2)c1 ZINC000509592626 1003966649 /nfs/dbraw/zinc/96/66/49/1003966649.db2.gz UMNQFTFBMIKLMN-UHFFFAOYSA-N 0 2 420.494 3.706 20 0 HHADLN COc1ccc([C@@H](NC(=O)C2=NN(c3ccc(OC)cc3)CC2=O)C(F)(F)F)cc1 ZINC000509604363 1003973963 /nfs/dbraw/zinc/97/39/63/1003973963.db2.gz SVZTUFATNPDVHZ-GOSISDBHSA-N 0 2 421.375 3.629 20 0 HHADLN CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000512045981 1003978124 /nfs/dbraw/zinc/97/81/24/1003978124.db2.gz KHMPOOSOVHUZMW-UHFFFAOYSA-N 0 2 419.485 3.814 20 0 HHADLN O=S(=O)(Nc1nc2c(ccc(F)c2F)s1)c1cnn(-c2ccccc2F)c1 ZINC000500852583 1004002528 /nfs/dbraw/zinc/00/25/28/1004002528.db2.gz NMOOCCVUHYJYCO-UHFFFAOYSA-N 0 2 410.402 3.700 20 0 HHADLN COC(=O)c1nccc2c1cccc2S(=O)(=O)Nc1nc(C(C)(C)C)cs1 ZINC000500864843 1004011975 /nfs/dbraw/zinc/01/19/75/1004011975.db2.gz QUPRBIFDOKPBTA-UHFFFAOYSA-N 0 2 405.501 3.576 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(ccc(F)c3F)s2)cc1Cl ZINC000500867916 1004015178 /nfs/dbraw/zinc/01/51/78/1004015178.db2.gz OJCNYITWFOXUEZ-UHFFFAOYSA-N 0 2 418.830 3.815 20 0 HHADLN Cc1cc(CSc2ncccc2C(=O)Nc2nc(-c3ccccc3F)n[nH]2)no1 ZINC000500922866 1004054280 /nfs/dbraw/zinc/05/42/80/1004054280.db2.gz IBHPKTIJSOFJEQ-UHFFFAOYSA-N 0 2 410.434 3.847 20 0 HHADLN C[C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2c[nH]c3c(cnn3C)c2=O)C1 ZINC000512143631 1004054661 /nfs/dbraw/zinc/05/46/61/1004054661.db2.gz BQQLSHMVVVGAPW-MEDUHNTESA-N 0 2 404.392 3.916 20 0 HHADLN Cc1cccc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c1I ZINC000500947133 1004069964 /nfs/dbraw/zinc/06/99/64/1004069964.db2.gz UWXNACMVMJCFSP-UHFFFAOYSA-N 0 2 422.201 3.776 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccccc2Cl)ns1)c1cccc(Cl)c1F ZINC000512342643 1004230645 /nfs/dbraw/zinc/23/06/45/1004230645.db2.gz LQMBNWGUFFXKME-UHFFFAOYSA-N 0 2 404.275 3.874 20 0 HHADLN Cc1ccccc1-n1nccc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000512344782 1004232386 /nfs/dbraw/zinc/23/23/86/1004232386.db2.gz YWMOLXQGCVLBHN-UHFFFAOYSA-N 0 2 418.478 3.725 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccccc2Cl)ns1)c1cccc2cnccc21 ZINC000512347078 1004235057 /nfs/dbraw/zinc/23/50/57/1004235057.db2.gz JNJKLDURYHBFNN-UHFFFAOYSA-N 0 2 402.888 3.629 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccc(Cl)c2)ns1)c1cccc2cnccc21 ZINC000512362401 1004248234 /nfs/dbraw/zinc/24/82/34/1004248234.db2.gz JHXSSWJBNIUFGI-UHFFFAOYSA-N 0 2 402.888 3.629 20 0 HHADLN O=C(COc1ccc(-c2ccccc2)cc1Cl)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510281462 1004447760 /nfs/dbraw/zinc/44/77/60/1004447760.db2.gz FSTFIKPOCYZZOS-MRXNPFEDSA-N 0 2 412.877 3.616 20 0 HHADLN O=S(=O)(Nc1nccs1)c1cccc(NCc2ccc(N3CCCC3)nc2)c1 ZINC000512664263 1004475388 /nfs/dbraw/zinc/47/53/88/1004475388.db2.gz YWQJOFJVYCAVQU-UHFFFAOYSA-N 0 2 415.544 3.551 20 0 HHADLN CN1C(=O)c2cccc3c2c1ccc3S(=O)(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000512729179 1004523109 /nfs/dbraw/zinc/52/31/09/1004523109.db2.gz JYNDUWZCSPWNEC-UHFFFAOYSA-N 0 2 422.441 3.555 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cnn1-c1ccccc1 ZINC000512739056 1004529213 /nfs/dbraw/zinc/52/92/13/1004529213.db2.gz QQJYXHCALWWVFZ-UHFFFAOYSA-N 0 2 418.478 3.725 20 0 HHADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000512751995 1004537022 /nfs/dbraw/zinc/53/70/22/1004537022.db2.gz ITSDTNMAGQIBLN-UHFFFAOYSA-N 0 2 420.270 3.598 20 0 HHADLN NC(=O)N1CCc2cc(NS(=O)(=O)c3c(Cl)cccc3C(F)(F)F)ccc21 ZINC000512757755 1004540909 /nfs/dbraw/zinc/54/09/09/1004540909.db2.gz PZPHIJHYXZYQPN-UHFFFAOYSA-N 0 2 419.812 3.601 20 0 HHADLN CC(C)C[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cnn(-c4ccccc4F)c3)c2C1 ZINC000512939204 1004711585 /nfs/dbraw/zinc/71/15/85/1004711585.db2.gz BHYFGOLXPXUVTI-UHFFFAOYSA-N 0 2 414.506 3.784 20 0 HHADLN CC(C)C[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cnn(-c4ccccc4F)c3)c2C1 ZINC000512939204 1004711589 /nfs/dbraw/zinc/71/15/89/1004711589.db2.gz BHYFGOLXPXUVTI-UHFFFAOYSA-N 0 2 414.506 3.784 20 0 HHADLN COC(=O)[C@@H]1CC[C@H]1C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000512944491 1004714679 /nfs/dbraw/zinc/71/46/79/1004714679.db2.gz DIDLFYAUZJDCLR-IAGOWNOFSA-N 0 2 409.467 3.557 20 0 HHADLN COc1ccc(COc2cccc(F)c2)cc1NS(=O)(=O)c1cncc(F)c1 ZINC000501803376 1004745757 /nfs/dbraw/zinc/74/57/57/1004745757.db2.gz DMDDHPRQNDCOJX-UHFFFAOYSA-N 0 2 406.410 3.748 20 0 HHADLN O=c1[nH]nc(CSc2nc3sc4c(c3c(=O)n2C2CCCC2)CCCC4)[nH]1 ZINC000513257015 1004882316 /nfs/dbraw/zinc/88/23/16/1004882316.db2.gz OVAVAWTZLYBTOT-UHFFFAOYSA-N 0 2 403.533 3.568 20 0 HHADLN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000511016192 1004981034 /nfs/dbraw/zinc/98/10/34/1004981034.db2.gz VYSUNWHINSVPGM-LBPRGKRZSA-N 0 2 410.503 3.693 20 0 HHADLN Cc1cccc(Cc2cnc(NS(=O)(=O)c3cccc(C(N)=O)c3)s2)c1Cl ZINC000511058448 1005001395 /nfs/dbraw/zinc/00/13/95/1005001395.db2.gz YDKYEHFKCZGUSK-UHFFFAOYSA-N 0 2 421.931 3.595 20 0 HHADLN COc1ccc(Nc2ncccc2NS(=O)(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000502393450 1005053962 /nfs/dbraw/zinc/05/39/62/1005053962.db2.gz PXLPULVQUFPHQC-UHFFFAOYSA-N 0 2 415.471 3.652 20 0 HHADLN COc1cc2c(cc1NS(=O)(=O)c1cnc3c(c1)c(C)nn3C)oc1ccccc12 ZINC000502447418 1005078895 /nfs/dbraw/zinc/07/88/95/1005078895.db2.gz DWWFUMAXXVUHQH-UHFFFAOYSA-N 0 2 422.466 3.986 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C3C[C@H](C)C[C@@H](C)C3)cc2)nc(C)n1 ZINC000502520012 1005099815 /nfs/dbraw/zinc/09/98/15/1005099815.db2.gz PCQPRROWTUQNIE-ZIAGYGMSSA-N 0 2 416.547 3.905 20 0 HHADLN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1cc2sc(C)nc2cc1OC ZINC000513812269 1005138562 /nfs/dbraw/zinc/13/85/62/1005138562.db2.gz IEQWOUZPJGDYDI-UHFFFAOYSA-N 0 2 406.485 3.509 20 0 HHADLN CCOC(=O)C1CCC(N(CC)C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)CC1 ZINC000514037483 1005237730 /nfs/dbraw/zinc/23/77/30/1005237730.db2.gz FTJBHONWASFWLL-UHFFFAOYSA-N 0 2 419.909 3.815 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CC[C@@](F)(c4cccc(Cl)c4)C3)=N2)cc1 ZINC000514229477 1005322845 /nfs/dbraw/zinc/32/28/45/1005322845.db2.gz QUXMNLGYKXGOQN-NRFANRHFSA-N 0 2 415.852 3.951 20 0 HHADLN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1ccc(C(F)(F)F)cn1 ZINC000514349932 1005339620 /nfs/dbraw/zinc/33/96/20/1005339620.db2.gz QNEBZRWSSJBFSN-UHFFFAOYSA-N 0 2 412.169 3.900 20 0 HHADLN CCCN(C(=O)N=c1nc(C(C)(C)C)[nH]s1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000503101599 1005347675 /nfs/dbraw/zinc/34/76/75/1005347675.db2.gz VRLKUMASBJIFRX-CQSZACIVSA-N 0 2 403.552 3.919 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1F ZINC000503243115 1005375678 /nfs/dbraw/zinc/37/56/78/1005375678.db2.gz OJVPSWQXDHMVBI-MRXNPFEDSA-N 0 2 404.442 3.584 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000503646003 1005472578 /nfs/dbraw/zinc/47/25/78/1005472578.db2.gz YMTVLSJIQWMQKE-UHFFFAOYSA-N 0 2 423.325 3.960 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000503646467 1005472626 /nfs/dbraw/zinc/47/26/26/1005472626.db2.gz CQEQFJAWVSUSJQ-UHFFFAOYSA-N 0 2 401.423 3.676 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2cccc3ccc(O)cc32)c1 ZINC000504039606 1005538633 /nfs/dbraw/zinc/53/86/33/1005538633.db2.gz GJKFKCNRUFKUNS-UHFFFAOYSA-N 0 2 419.430 3.671 20 0 HHADLN Cc1ccsc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 ZINC000514516737 1006016699 /nfs/dbraw/zinc/01/66/99/1006016699.db2.gz ZEDGFPWNTYNAFV-UHFFFAOYSA-N 0 2 402.501 3.516 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C)c3ccccc3)cc2)nc(C)n1 ZINC000514516702 1006016757 /nfs/dbraw/zinc/01/67/57/1006016757.db2.gz IPVJDRNZPKPGLN-UHFFFAOYSA-N 0 2 424.526 3.811 20 0 HHADLN Cc1ncc(-c2ccccc2)cc1NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000534058991 1006030908 /nfs/dbraw/zinc/03/09/08/1006030908.db2.gz QXUUIQNGTIIUBG-UHFFFAOYSA-N 0 2 411.458 3.882 20 0 HHADLN CC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)nc1 ZINC000534059875 1006031799 /nfs/dbraw/zinc/03/17/99/1006031799.db2.gz XSDULUDEEGDPIO-UHFFFAOYSA-N 0 2 423.210 3.866 20 0 HHADLN O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)NCCCc1n[nH]c(=O)[nH]1 ZINC000534064491 1006035630 /nfs/dbraw/zinc/03/56/30/1006035630.db2.gz POYJUINHQJROOB-UHFFFAOYSA-N 0 2 420.300 3.852 20 0 HHADLN COc1cccc(C[C@H]2CCCN2C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)c1 ZINC000531198257 1006041222 /nfs/dbraw/zinc/04/12/22/1006041222.db2.gz KPYIPKSDUYQJDP-GOSISDBHSA-N 0 2 409.461 3.881 20 0 HHADLN CCCOc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cc1 ZINC000531211675 1006050388 /nfs/dbraw/zinc/05/03/88/1006050388.db2.gz AODMUHQQHSVCHP-UHFFFAOYSA-N 0 2 407.492 3.858 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCC[C@@H](c4nncn4C4CC4)C3)=N2)c1 ZINC000531252092 1006071899 /nfs/dbraw/zinc/07/18/99/1006071899.db2.gz GQDUFVUBSXSAIF-QGZVFWFLSA-N 0 2 420.517 3.648 20 0 HHADLN CC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1 ZINC000514819393 1006150611 /nfs/dbraw/zinc/15/06/11/1006150611.db2.gz YSSZUNJZEULIHJ-UHFFFAOYSA-N 0 2 419.913 3.558 20 0 HHADLN C[C@@H](Cc1ccsc1)NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000531383274 1006165656 /nfs/dbraw/zinc/16/56/56/1006165656.db2.gz PYRPOWIKJIKBEY-LBPRGKRZSA-N 0 2 422.557 3.758 20 0 HHADLN CC1(C)c2cc(S(=O)(=O)Nc3nnc(CC4CCCCC4)s3)ccc2NC1=O ZINC000531603877 1006301232 /nfs/dbraw/zinc/30/12/32/1006301232.db2.gz ZYIJBZJDXDRFMC-UHFFFAOYSA-N 0 2 420.560 3.691 20 0 HHADLN Cc1ccc(-n2[n-]c(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)cc2=O)cc1 ZINC000534556299 1006547158 /nfs/dbraw/zinc/54/71/58/1006547158.db2.gz SCYKVWAQSONSMD-UHFFFAOYSA-N 0 2 411.465 3.642 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(OCC(=O)N(C)C)c2)c1Cl ZINC000515630306 1006567674 /nfs/dbraw/zinc/56/76/74/1006567674.db2.gz YGGCCJXQCUDYSO-UHFFFAOYSA-N 0 2 417.314 3.570 20 0 HHADLN Cc1c2cc(Cl)ccc2oc1S(=O)(=O)Nc1ncn(Cc2ccccc2)n1 ZINC000532100950 1006634392 /nfs/dbraw/zinc/63/43/92/1006634392.db2.gz OQFIXMBQSOAZNX-UHFFFAOYSA-N 0 2 402.863 3.835 20 0 HHADLN Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CC[NH+]([C@H](C)c4ccsc4)CC3)n2)c1 ZINC000538368113 1006638488 /nfs/dbraw/zinc/63/84/88/1006638488.db2.gz ZHJSEGTWTYRKGR-OAHLLOKOSA-N 0 2 414.506 3.606 20 0 HHADLN C[C@@H]1C[C@H]1c1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 ZINC000532156508 1006680312 /nfs/dbraw/zinc/68/03/12/1006680312.db2.gz BMAIGANNKUJZBA-MLGOLLRUSA-N 0 2 417.512 3.590 20 0 HHADLN Cc1c([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)nnn1-c1ccc(C)cc1 ZINC000532188569 1006707743 /nfs/dbraw/zinc/70/77/43/1006707743.db2.gz QRUNKYWQHHKFBO-NQIIRXRSSA-N 0 2 424.618 3.585 20 0 HHADLN O=S(=O)(Cc1ccccc1Cl)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000534743115 1006734039 /nfs/dbraw/zinc/73/40/39/1006734039.db2.gz STZOFSLOHYIMDM-KRWDZBQOSA-N 0 2 402.907 3.792 20 0 HHADLN COC(=O)CCc1csc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)n1 ZINC000532263437 1006756752 /nfs/dbraw/zinc/75/67/52/1006756752.db2.gz JPYLFAFFEDTFLH-UHFFFAOYSA-N 0 2 416.480 3.949 20 0 HHADLN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000532393542 1006841275 /nfs/dbraw/zinc/84/12/75/1006841275.db2.gz GGZVGPYGSKQRNX-UHFFFAOYSA-N 0 2 416.528 3.991 20 0 HHADLN CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2ncc(-c3ccccc3)s2)c1 ZINC000516111064 1006888756 /nfs/dbraw/zinc/88/87/56/1006888756.db2.gz JVXBRQVSJJCKCR-UHFFFAOYSA-N 0 2 401.513 3.703 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)Nc3ccsc3)c2)cc1 ZINC000538743686 1007027868 /nfs/dbraw/zinc/02/78/68/1007027868.db2.gz AXWOARKKUZOZLP-UHFFFAOYSA-N 0 2 404.469 3.515 20 0 HHADLN CCN(CC)C(=O)COc1cccc(NC(=O)c2cccc(Br)c2O)c1 ZINC000538746443 1007030876 /nfs/dbraw/zinc/03/08/76/1007030876.db2.gz XGSIMPHAJQUZAG-UHFFFAOYSA-N 0 2 421.291 3.654 20 0 HHADLN CCOc1cc2c(cc1OCC)CN(C(=O)N=c1nc(C(C)(C)C)[nH]s1)CC2 ZINC000516508050 1007117705 /nfs/dbraw/zinc/11/77/05/1007117705.db2.gz VNYVTLWOZXHLMH-UHFFFAOYSA-N 0 2 404.536 3.645 20 0 HHADLN O=S(=O)(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc2c(c1)COC2 ZINC000532702910 1007118163 /nfs/dbraw/zinc/11/81/63/1007118163.db2.gz AFOZJIXFJWXGAA-UHFFFAOYSA-N 0 2 423.516 3.801 20 0 HHADLN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1csc([C@H]2CCCO2)n1 ZINC000535168795 1007211200 /nfs/dbraw/zinc/21/12/00/1007211200.db2.gz RQLALGAHTWQAQJ-GFCCVEGCSA-N 0 2 420.292 3.795 20 0 HHADLN Cc1ccc(OCCC(=O)N=c2nc(-c3cccnc3)[nH]s2)c(Br)c1 ZINC000535170346 1007212984 /nfs/dbraw/zinc/21/29/84/1007212984.db2.gz ABZYNTFGLVJOEV-UHFFFAOYSA-N 0 2 419.304 3.501 20 0 HHADLN O=C(CCCc1ccccc1Br)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535175403 1007219646 /nfs/dbraw/zinc/21/96/46/1007219646.db2.gz RXLDCAOWXPLLNC-UHFFFAOYSA-N 0 2 403.305 3.746 20 0 HHADLN Cc1noc2nc(-c3ccccc3)cc(C(=O)N=c3nc(-c4cccnc4)[nH]s3)c12 ZINC000535181036 1007226542 /nfs/dbraw/zinc/22/65/42/1007226542.db2.gz SNXKHVGGDQGLQY-UHFFFAOYSA-N 0 2 414.450 3.786 20 0 HHADLN COc1cc(C)c(NS(=O)(=O)c2cc(F)c(Br)cc2F)cc1OC ZINC000535232919 1007287129 /nfs/dbraw/zinc/28/71/29/1007287129.db2.gz FTTPETBWTWAKFR-UHFFFAOYSA-N 0 2 422.247 3.854 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2C(C)C)c(C(=O)OC)s1 ZINC000539108796 1007395801 /nfs/dbraw/zinc/39/58/01/1007395801.db2.gz IYGSBXYZDUYXST-UHFFFAOYSA-N 0 2 411.501 3.554 20 0 HHADLN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1nc(C2CC2)cs1 ZINC000517385810 1007615973 /nfs/dbraw/zinc/61/59/73/1007615973.db2.gz AGLPXZCPSFBENQ-UHFFFAOYSA-N 0 2 406.407 3.627 20 0 HHADLN COCCOc1c(Cl)cc(S(=O)(=O)Nc2cc(C)cnc2OC)cc1Cl ZINC000517425032 1007648605 /nfs/dbraw/zinc/64/86/05/1007648605.db2.gz GKKGSLAQPVKGRT-UHFFFAOYSA-N 0 2 421.302 3.531 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cnn(-c2ccccn2)c1C(F)(F)F ZINC000517553306 1007766409 /nfs/dbraw/zinc/76/64/09/1007766409.db2.gz PPHRHUVSOVDEJW-UHFFFAOYSA-N 0 2 422.417 3.540 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc4oc(C(C)C)nc4c3)cnc2c1Cl ZINC000535746085 1007770167 /nfs/dbraw/zinc/77/01/67/1007770167.db2.gz LQSLHRNMDCKJDA-UHFFFAOYSA-N 0 2 405.867 3.757 20 0 HHADLN CC(=O)c1cccc(S(=O)(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)c1 ZINC000517565662 1007772494 /nfs/dbraw/zinc/77/24/94/1007772494.db2.gz GDGPBQGCFMIDHI-UHFFFAOYSA-N 0 2 412.395 3.621 20 0 HHADLN COc1ccnc2c(NS(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4C)cccc12 ZINC000535765982 1007778528 /nfs/dbraw/zinc/77/85/28/1007778528.db2.gz UOSXHHMPUXQYJR-UHFFFAOYSA-N 0 2 419.462 3.787 20 0 HHADLN COc1ccnc2c(NS(=O)(=O)c3cc(F)ccc3Br)cccc12 ZINC000535765811 1007778661 /nfs/dbraw/zinc/77/86/61/1007778661.db2.gz ASSVSOCQILTIPP-UHFFFAOYSA-N 0 2 411.252 3.946 20 0 HHADLN CCN(CC)c1nc2sc(C(=O)N=c3nc(-c4cccnc4)[nH]s3)cc2s1 ZINC000535932317 1007959295 /nfs/dbraw/zinc/95/92/95/1007959295.db2.gz XGNNPZJMILGQHA-UHFFFAOYSA-N 0 2 416.557 3.792 20 0 HHADLN O=C(CCCOc1ccccc1Br)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535932616 1007959412 /nfs/dbraw/zinc/95/94/12/1007959412.db2.gz XGOKXPHFRQERIH-UHFFFAOYSA-N 0 2 419.304 3.582 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2F)s1)c1cc(F)cc(Cl)c1 ZINC000533689805 1008013926 /nfs/dbraw/zinc/01/39/26/1008013926.db2.gz JNYCMGHBLFOZGB-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN CCc1ccc(-n2nc(C(=O)N=c3nc(-c4cccnc4)[nH]s3)c3c2CCC3)cc1 ZINC000535985770 1008025155 /nfs/dbraw/zinc/02/51/55/1008025155.db2.gz BNPJQBNUQCXHBK-UHFFFAOYSA-N 0 2 416.510 3.511 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)cc1CC ZINC000535989014 1008028495 /nfs/dbraw/zinc/02/84/95/1008028495.db2.gz PPEVIKAQRPVUPP-UHFFFAOYSA-N 0 2 413.547 3.885 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@H](C)c3ccc([S@](C)=O)cc3)=N2)c1 ZINC000536010973 1008052909 /nfs/dbraw/zinc/05/29/09/1008052909.db2.gz DYLOVBHXWFFVQO-HOLBHBGLSA-N 0 2 411.527 3.930 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)nc1C(C)C ZINC000533784288 1008107115 /nfs/dbraw/zinc/10/71/15/1008107115.db2.gz IWHICWQFEHCRNP-UHFFFAOYSA-N 0 2 418.924 3.906 20 0 HHADLN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)o2)cc1 ZINC000518302042 1008249661 /nfs/dbraw/zinc/24/96/61/1008249661.db2.gz GAOHCTXFYJFEJI-UHFFFAOYSA-N 0 2 406.508 3.903 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccc2Cl)s1)c1ccc2c(c1)CCCO2 ZINC000540079179 1008275981 /nfs/dbraw/zinc/27/59/81/1008275981.db2.gz SFTOJQAVBRGXJF-UHFFFAOYSA-N 0 2 407.904 3.984 20 0 HHADLN COc1c(C)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1C ZINC000540254086 1008354973 /nfs/dbraw/zinc/35/49/73/1008354973.db2.gz VRTKGBLTKOWNBX-UHFFFAOYSA-N 0 2 417.512 3.822 20 0 HHADLN O=S(=O)(Nc1ccc(OCCO)cc1C(F)(F)F)c1ccc(Cl)cc1F ZINC000518647575 1008378478 /nfs/dbraw/zinc/37/84/78/1008378478.db2.gz PKHFBWHUUXXCGC-UHFFFAOYSA-N 0 2 413.776 3.670 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2ccccc2NC(=O)c2cccs2)c1 ZINC000540498385 1008456649 /nfs/dbraw/zinc/45/66/49/1008456649.db2.gz YBPFCRCYKPXASF-UHFFFAOYSA-N 0 2 404.469 3.515 20 0 HHADLN CCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)nc(C)n1 ZINC000545466360 1008575797 /nfs/dbraw/zinc/57/57/97/1008575797.db2.gz LKYKCGIVXACPDY-UHFFFAOYSA-N 0 2 414.462 3.540 20 0 HHADLN CCCc1c(NS(=O)(=O)c2c(C)oc(C)c2C(=O)OC)cnn1-c1ccccc1 ZINC000543021785 1008601271 /nfs/dbraw/zinc/60/12/71/1008601271.db2.gz AGMBCSFQEYXQLN-UHFFFAOYSA-N 0 2 417.487 3.622 20 0 HHADLN COc1c(C)ccc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)c1C ZINC000519217351 1008621245 /nfs/dbraw/zinc/62/12/45/1008621245.db2.gz CMGMSHJBMVJSIM-UHFFFAOYSA-N 0 2 400.859 3.864 20 0 HHADLN COC(=O)c1cc(F)ccc1NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000519231954 1008638489 /nfs/dbraw/zinc/63/84/89/1008638489.db2.gz OUOLPKKXNLXLHB-UHFFFAOYSA-N 0 2 408.234 3.729 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CC[C@](F)(c4ccccc4F)C3)s[nH]2)c1 ZINC000549252723 1008823781 /nfs/dbraw/zinc/82/37/81/1008823781.db2.gz ZFGCVUWEJMFBPF-HXUWFJFHSA-N 0 2 416.453 3.877 20 0 HHADLN Cn1ccc([C@@H](NC(=O)N=c2nc(C(C)(C)C)[nH]s2)c2ccc(Cl)cc2)n1 ZINC000545869375 1008958618 /nfs/dbraw/zinc/95/86/18/1008958618.db2.gz JRNWQHWAYMUEQT-AWEZNQCLSA-N 0 2 404.927 3.556 20 0 HHADLN Cn1cnnc1-c1cccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 ZINC000519947471 1009098365 /nfs/dbraw/zinc/09/83/65/1009098365.db2.gz JTVVZEQWZHAJFF-UHFFFAOYSA-N 0 2 423.274 3.887 20 0 HHADLN O=S(=O)(N[C@H](c1nccs1)C(F)(F)F)c1cccc(Br)c1F ZINC000549525512 1009134476 /nfs/dbraw/zinc/13/44/76/1009134476.db2.gz CSKHBTOHTHABHO-SECBINFHSA-N 0 2 419.219 3.627 20 0 HHADLN CCCc1c(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)cnn1-c1cc(C)ccn1 ZINC000546181266 1009211057 /nfs/dbraw/zinc/21/10/57/1009211057.db2.gz YSZDDXCSRZSERL-UHFFFAOYSA-N 0 2 416.551 3.723 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C[C@@H]3CCCO3)C3CCCC3)s[nH]2)c1 ZINC000543615295 1009220079 /nfs/dbraw/zinc/22/00/79/1009220079.db2.gz VUMHLJCAKFEBMZ-KRWDZBQOSA-N 0 2 402.520 3.591 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](C)[C@H](OC)c3ccccc3F)s[nH]2)c1 ZINC000543615509 1009220707 /nfs/dbraw/zinc/22/07/07/1009220707.db2.gz WWUMESIVMKRPRK-PXAZEXFGSA-N 0 2 416.478 3.672 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC(C(=O)c4ccccc4)CC3)s[nH]2)c1 ZINC000543617403 1009222800 /nfs/dbraw/zinc/22/28/00/1009222800.db2.gz XWSRPNBEDZDSFN-UHFFFAOYSA-N 0 2 422.510 3.762 20 0 HHADLN O=S(=O)(Nc1cccc2ccncc21)c1cc(Br)cc2c1OCC2 ZINC000543649737 1009254196 /nfs/dbraw/zinc/25/41/96/1009254196.db2.gz GCCMGBAVQURLKT-UHFFFAOYSA-N 0 2 405.273 3.733 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCCCc1nc2ccccc2[nH]1 ZINC000543655216 1009260684 /nfs/dbraw/zinc/26/06/84/1009260684.db2.gz AVPKNZQASJWLCW-UHFFFAOYSA-N 0 2 412.906 3.911 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCO[C@H](c2ccsc2)C1 ZINC000543657202 1009264024 /nfs/dbraw/zinc/26/40/24/1009264024.db2.gz KMWGCXXCIIIHQU-AWEZNQCLSA-N 0 2 406.920 3.947 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cccc3cnccc32)nc1C1CCCC1 ZINC000543683042 1009292360 /nfs/dbraw/zinc/29/23/60/1009292360.db2.gz RTYJAXVGNYDXKT-UHFFFAOYSA-N 0 2 417.512 3.936 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccccc1-c1ccno1 ZINC000543865055 1009432484 /nfs/dbraw/zinc/43/24/84/1009432484.db2.gz PLJSRUYYXOAISA-HNNXBMFYSA-N 0 2 418.446 3.839 20 0 HHADLN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000549823964 1009434654 /nfs/dbraw/zinc/43/46/54/1009434654.db2.gz HTDZASFXKAGGTL-NXEZZACHSA-N 0 2 401.319 3.704 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)C3(c4ccc(C)cc4)CCOCC3)s[nH]2)c1 ZINC000520315969 1009443520 /nfs/dbraw/zinc/44/35/20/1009443520.db2.gz UWNPXHKNJQHKNT-UHFFFAOYSA-N 0 2 409.511 3.631 20 0 HHADLN Cc1n[nH]cc1S(=O)(=O)Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000520333822 1009468226 /nfs/dbraw/zinc/46/82/26/1009468226.db2.gz DZUFEXCBHHOPGV-UHFFFAOYSA-N 0 2 424.404 3.790 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1nnc(-c2ccoc2)n1Cc1cccs1 ZINC000549867338 1009486842 /nfs/dbraw/zinc/48/68/42/1009486842.db2.gz WCODPDBZHUEOMR-UHFFFAOYSA-N 0 2 424.511 3.995 20 0 HHADLN COC(=O)c1ccc(-c2csc(NS(=O)(=O)Cc3ccccc3C)n2)cc1 ZINC000546562659 1009585745 /nfs/dbraw/zinc/58/57/45/1009585745.db2.gz CUUAOJUNVDRXEA-UHFFFAOYSA-N 0 2 402.497 3.847 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)cc1F ZINC000544074930 1009679181 /nfs/dbraw/zinc/67/91/81/1009679181.db2.gz FKQUHIDQHQDQKW-UHFFFAOYSA-N 0 2 416.877 3.560 20 0 HHADLN CCc1nnc(-c2ccc(NS(=O)(=O)c3c(C)nn(CC(C)C)c3C)cc2)o1 ZINC000544099031 1009709612 /nfs/dbraw/zinc/70/96/12/1009709612.db2.gz VKUFWEPYPKCUEV-UHFFFAOYSA-N 0 2 403.508 3.569 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1C ZINC000550118913 1009711540 /nfs/dbraw/zinc/71/15/40/1009711540.db2.gz WGKDIFAYCBFISG-IBGZPJMESA-N 0 2 421.501 3.577 20 0 HHADLN O=C(NCC(F)(F)F)c1ccc(NC(=O)c2cccc(Br)c2O)cc1 ZINC000520735554 1009805285 /nfs/dbraw/zinc/80/52/85/1009805285.db2.gz LMNCWFVLYIOKDX-UHFFFAOYSA-N 0 2 417.181 3.699 20 0 HHADLN COc1ccc([C@@H]2[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3O)CC(=O)N2C)cc1 ZINC000546860477 1009822986 /nfs/dbraw/zinc/82/29/86/1009822986.db2.gz VSEKQWYCWYKHOY-CXAGYDPISA-N 0 2 409.269 3.866 20 0 HHADLN C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000546860729 1009823467 /nfs/dbraw/zinc/82/34/67/1009823467.db2.gz OQFMRZXUDQAYNC-SNVBAGLBSA-N 0 2 417.314 3.692 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cnc2ccccc2c1C(F)(F)F ZINC000550332387 1009868885 /nfs/dbraw/zinc/86/88/85/1009868885.db2.gz CLELTZRRHAVNKN-UHFFFAOYSA-N 0 2 401.373 3.841 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cccc(I)c1 ZINC000520967398 1010012334 /nfs/dbraw/zinc/01/23/34/1010012334.db2.gz XTTAAYSXCRQNET-UHFFFAOYSA-N 0 2 413.265 3.545 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC000550571545 1010035340 /nfs/dbraw/zinc/03/53/40/1010035340.db2.gz DLPACYXNJXZLAW-NRXISQOPSA-N 0 2 421.950 3.973 20 0 HHADLN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000550572279 1010036626 /nfs/dbraw/zinc/03/66/26/1010036626.db2.gz RHDDFQQWRUKSCI-HOCLYGCPSA-N 0 2 417.922 3.774 20 0 HHADLN COC(=O)c1cc(C)nc2nc(NS(=O)(=O)c3ccc(CC(C)C)cc3)sc21 ZINC000521020004 1010056295 /nfs/dbraw/zinc/05/62/95/1010056295.db2.gz FOVKCLMMJLQYDL-UHFFFAOYSA-N 0 2 419.528 3.786 20 0 HHADLN O=S(=O)(Nc1noc(-c2ccccc2Cl)n1)c1ccc(OC(F)F)c(F)c1 ZINC000550793560 1010183134 /nfs/dbraw/zinc/18/31/34/1010183134.db2.gz RBZCRHOWQBFOBQ-UHFFFAOYSA-N 0 2 419.768 3.931 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](c3ccccc3)[C@@H]3CCCO3)s[nH]2)c1 ZINC000544596327 1010222321 /nfs/dbraw/zinc/22/23/21/1010222321.db2.gz VKBWIBWJICOUKZ-ZWKOTPCHSA-N 0 2 410.499 3.677 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(Cc3ccccc3)CC(F)F)s[nH]2)c1 ZINC000544596947 1010222572 /nfs/dbraw/zinc/22/25/72/1010222572.db2.gz BZGOPUNTRKKDLV-UHFFFAOYSA-N 0 2 404.442 3.935 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](c3ccccc3)[C@H]3CCCO3)s[nH]2)c1 ZINC000544596325 1010222772 /nfs/dbraw/zinc/22/27/72/1010222772.db2.gz VKBWIBWJICOUKZ-QZTJIDSGSA-N 0 2 410.499 3.677 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)=N1 ZINC000544651375 1010275128 /nfs/dbraw/zinc/27/51/28/1010275128.db2.gz GGKYWEZMDOKFOW-RXVVDRJESA-N 0 2 409.461 3.930 20 0 HHADLN COC(=O)Cc1ccc(S(=O)(=O)Nc2ncc(-c3ccc(C)cc3C)s2)cc1 ZINC000547383855 1010280645 /nfs/dbraw/zinc/28/06/45/1010280645.db2.gz QHNWQJNAXXXORP-UHFFFAOYSA-N 0 2 416.524 3.943 20 0 HHADLN COc1ccccc1-c1nnc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)o1 ZINC000551019895 1010321522 /nfs/dbraw/zinc/32/15/22/1010321522.db2.gz BYRPFWPGOJMZJD-UHFFFAOYSA-N 0 2 418.233 3.992 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1OC ZINC000551106559 1010371906 /nfs/dbraw/zinc/37/19/06/1010371906.db2.gz AJSGXDHIMQFLBO-UHFFFAOYSA-N 0 2 423.796 3.955 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)C3(Oc4ccc(Cl)cc4)CC3)s[nH]2)c1 ZINC000551128153 1010389442 /nfs/dbraw/zinc/38/94/42/1010389442.db2.gz MFTTYRNDNKMFMS-UHFFFAOYSA-N 0 2 401.875 3.839 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)=N1 ZINC000547672195 1010391814 /nfs/dbraw/zinc/39/18/14/1010391814.db2.gz DUTDXNJAYYZGQY-FQEVSTJZSA-N 0 2 413.424 3.632 20 0 HHADLN O=C(Cn1cc(C(=O)Nc2cc(Cl)cc(Cl)c2O)cn1)NC1CCCCC1 ZINC000544813816 1010407235 /nfs/dbraw/zinc/40/72/35/1010407235.db2.gz NZNJPYQLIUSMPI-UHFFFAOYSA-N 0 2 411.289 3.597 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2cccc3cc[nH]c32)cc1OC ZINC000547821976 1010439402 /nfs/dbraw/zinc/43/94/02/1010439402.db2.gz ONISORFEOXUWDT-UHFFFAOYSA-N 0 2 411.277 3.748 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)NCc2cccnc2Oc2cccc(F)c2)s[nH]1 ZINC000521531548 1010442671 /nfs/dbraw/zinc/44/26/71/1010442671.db2.gz BXNDBAYWRLGYFQ-UHFFFAOYSA-N 0 2 401.467 3.906 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc(Cl)cc(F)c1Br ZINC000551258321 1010474695 /nfs/dbraw/zinc/47/46/95/1010474695.db2.gz JVYFQGKFNVEIDM-UHFFFAOYSA-N 0 2 413.659 3.829 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c(-c3cccc(F)c3)nc2c1)c1cnn(CC(F)F)c1 ZINC000547952411 1010479772 /nfs/dbraw/zinc/47/97/72/1010479772.db2.gz BCQPXOKZMQPZOF-UHFFFAOYSA-N 0 2 421.404 3.631 20 0 HHADLN CC(C)n1ncc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)cnc21 ZINC000548031733 1010507556 /nfs/dbraw/zinc/50/75/56/1010507556.db2.gz WEJQZGYAEPCGPK-UHFFFAOYSA-N 0 2 402.373 3.971 20 0 HHADLN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)s1 ZINC000548043107 1010511421 /nfs/dbraw/zinc/51/14/21/1010511421.db2.gz NHDGHWZAKXACBU-UHFFFAOYSA-N 0 2 409.496 3.609 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(C)c2-c2ccccc2)c2ccccc12 ZINC000521669658 1010538253 /nfs/dbraw/zinc/53/82/53/1010538253.db2.gz HHAUDHFBQDWNAP-UHFFFAOYSA-N 0 2 420.494 4.000 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@H]1CCOc2c(Cl)cccc21 ZINC000548179824 1010554232 /nfs/dbraw/zinc/55/42/32/1010554232.db2.gz ZGFYUQMXRPNVMU-LBPRGKRZSA-N 0 2 404.879 3.716 20 0 HHADLN CC(C)c1nc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)no1 ZINC000548279786 1010578159 /nfs/dbraw/zinc/57/81/59/1010578159.db2.gz CTGFQBUNDXNWAU-ZDUSSCGKSA-N 0 2 415.899 3.595 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000548360396 1010600367 /nfs/dbraw/zinc/60/03/67/1010600367.db2.gz VIBMDIWYEMFQPE-UHFFFAOYSA-N 0 2 410.517 3.629 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000548437594 1010627138 /nfs/dbraw/zinc/62/71/38/1010627138.db2.gz NJVVGNZSJUMWPS-UHFFFAOYSA-N 0 2 403.763 3.561 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cn1)C1CC1 ZINC000521812055 1010635724 /nfs/dbraw/zinc/63/57/24/1010635724.db2.gz FDJHOLQVHNVXBT-UHFFFAOYSA-N 0 2 419.812 3.903 20 0 HHADLN O=C(COc1ccccc1OCC(F)(F)F)N=c1nc(-c2ccsc2)[nH]s1 ZINC000521835089 1010647452 /nfs/dbraw/zinc/64/74/52/1010647452.db2.gz AHNSUKPNIDKLCF-UHFFFAOYSA-N 0 2 415.418 3.647 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3cncc(F)c3)ccc2C)c(F)c1 ZINC000548861327 1010747354 /nfs/dbraw/zinc/74/73/54/1010747354.db2.gz LEBQVZQAYQUTNH-UHFFFAOYSA-N 0 2 418.421 3.923 20 0 HHADLN O=C(Nc1ccn(Cc2ccncc2)n1)c1[nH]nc(-c2ccccc2)c1Br ZINC000522148260 1010833727 /nfs/dbraw/zinc/83/37/27/1010833727.db2.gz STGZFKPHPJICAA-UHFFFAOYSA-N 0 2 423.274 3.731 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3)c2)cn1 ZINC000522360162 1010956248 /nfs/dbraw/zinc/95/62/48/1010956248.db2.gz XZRWIVVLVJJJRB-UHFFFAOYSA-N 0 2 404.879 3.610 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000522528710 1011064749 /nfs/dbraw/zinc/06/47/49/1011064749.db2.gz KJYARSGHPOKOHR-SANMLTNESA-N 0 2 411.593 3.929 20 0 HHADLN C[C@@H](CC(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1cccc(F)c1 ZINC000522564904 1011082952 /nfs/dbraw/zinc/08/29/52/1011082952.db2.gz PNQZVIFGLCPYSI-LBPRGKRZSA-N 0 2 420.491 3.610 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)NCc2ccc(Oc3cccc(F)c3)nc2)s[nH]1 ZINC000522620930 1011119078 /nfs/dbraw/zinc/11/90/78/1011119078.db2.gz ZFTAIEFXQDVHTJ-UHFFFAOYSA-N 0 2 401.467 3.906 20 0 HHADLN CC(=O)N(C)c1ccccc1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000522807869 1011240799 /nfs/dbraw/zinc/24/07/99/1011240799.db2.gz NFRFIARBIUGOAB-UHFFFAOYSA-N 0 2 419.247 3.511 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3ncccc3-c3ccccc3)cc2C[C@@H]1C ZINC000536125794 1011248123 /nfs/dbraw/zinc/24/81/23/1011248123.db2.gz PAFYZJOPSDZCND-HNNXBMFYSA-N 0 2 407.495 3.847 20 0 HHADLN CCNC(=O)c1cc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)nc2ccccc21 ZINC000540651631 1011305026 /nfs/dbraw/zinc/30/50/26/1011305026.db2.gz BQABRXGKIAMEQH-UHFFFAOYSA-N 0 2 423.416 3.804 20 0 HHADLN COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)ccc1Cl ZINC000536213589 1011361852 /nfs/dbraw/zinc/36/18/52/1011361852.db2.gz HOGNVOKMJLTDPW-UHFFFAOYSA-N 0 2 423.903 3.858 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3csc(-c4ccc(C)n4C)n3)s[nH]2)c1 ZINC000536248169 1011404660 /nfs/dbraw/zinc/40/46/60/1011404660.db2.gz HJXZWBXJNGGMIP-UHFFFAOYSA-N 0 2 411.512 3.658 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000536303817 1011494637 /nfs/dbraw/zinc/49/46/37/1011494637.db2.gz GTXBFXVNRQFPKQ-UHFFFAOYSA-N 0 2 419.478 3.597 20 0 HHADLN CCCOc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1 ZINC000536459001 1011678604 /nfs/dbraw/zinc/67/86/04/1011678604.db2.gz IOTCXTDLUHFEMA-UHFFFAOYSA-N 0 2 405.501 3.803 20 0 HHADLN Cc1nccn1C[C@H](C)CNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536482121 1011694618 /nfs/dbraw/zinc/69/46/18/1011694618.db2.gz OFMBZPVMHAJBGD-ZTQAJYAQSA-N 0 2 421.948 3.612 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2NC(=O)c2cccs2)c1 ZINC000523286810 1011766410 /nfs/dbraw/zinc/76/64/10/1011766410.db2.gz PXYXPTBYGIPTII-UHFFFAOYSA-N 0 2 418.496 3.818 20 0 HHADLN CCOCCOCc1cccc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)c1 ZINC000541305843 1012010408 /nfs/dbraw/zinc/01/04/08/1012010408.db2.gz DKZICOLKIIOIEY-UHFFFAOYSA-N 0 2 409.552 3.510 20 0 HHADLN Cc1cc(Oc2ccc(NS(=O)(=O)c3c(C)nn(CC(C)C)c3C)cc2)n[nH]1 ZINC000541307703 1012014268 /nfs/dbraw/zinc/01/42/68/1012014268.db2.gz QFXXHYAHOKYTKK-UHFFFAOYSA-N 0 2 403.508 3.781 20 0 HHADLN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000552029362 1012055705 /nfs/dbraw/zinc/05/57/05/1012055705.db2.gz UEOUJTVXJUFVBD-ZDUSSCGKSA-N 0 2 405.462 3.762 20 0 HHADLN COC(=O)[C@H](CS(=O)(=O)Nc1cnc(-c2ccccc2)s1)c1ccccc1 ZINC000552031394 1012056104 /nfs/dbraw/zinc/05/61/04/1012056104.db2.gz IDLSQGRFHHROST-MRXNPFEDSA-N 0 2 402.497 3.509 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)sc1C ZINC000536904867 1012166706 /nfs/dbraw/zinc/16/67/06/1012166706.db2.gz LLTWXNXAOPVONX-ZDUSSCGKSA-N 0 2 404.517 3.562 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)sc1C ZINC000536904866 1012167014 /nfs/dbraw/zinc/16/70/14/1012167014.db2.gz LLTWXNXAOPVONX-CYBMUJFWSA-N 0 2 404.517 3.562 20 0 HHADLN O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000552207708 1012218933 /nfs/dbraw/zinc/21/89/33/1012218933.db2.gz BBHSGVRBIHJIAQ-LSDHHAIUSA-N 0 2 409.515 3.576 20 0 HHADLN O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000552207707 1012219644 /nfs/dbraw/zinc/21/96/44/1012219644.db2.gz BBHSGVRBIHJIAQ-HUUCEWRRSA-N 0 2 409.515 3.576 20 0 HHADLN Cc1cccc(Oc2ccccc2NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)c1 ZINC000537035887 1012352971 /nfs/dbraw/zinc/35/29/71/1012352971.db2.gz BJRZSEGMVACSOU-UHFFFAOYSA-N 0 2 413.499 3.628 20 0 HHADLN CC(=O)N(CCC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)Cc1ccccc1 ZINC000523850049 1012542659 /nfs/dbraw/zinc/54/26/59/1012542659.db2.gz ITHIZPHJCBNCQF-UHFFFAOYSA-N 0 2 414.918 3.658 20 0 HHADLN COC(=O)c1ccccc1-c1ccccc1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552623592 1012625285 /nfs/dbraw/zinc/62/52/85/1012625285.db2.gz VJXDDQBARQLGLY-UHFFFAOYSA-N 0 2 414.421 3.883 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCc1ccccc1Cn1cccn1 ZINC000541796094 1012670781 /nfs/dbraw/zinc/67/07/81/1012670781.db2.gz DLZZUAPRKVGNLD-UHFFFAOYSA-N 0 2 424.917 3.847 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1ccn(-c2ccccc2)n1 ZINC000541796723 1012671851 /nfs/dbraw/zinc/67/18/51/1012671851.db2.gz NQPFZNAOGGKQHN-UHFFFAOYSA-N 0 2 410.890 3.788 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000541797699 1012673606 /nfs/dbraw/zinc/67/36/06/1012673606.db2.gz YNMPLVKIJRVIRN-CABCVRRESA-N 0 2 402.911 3.782 20 0 HHADLN COCCN(Cc1ccc(C)o1)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000541797509 1012673652 /nfs/dbraw/zinc/67/36/52/1012673652.db2.gz LEMDCPVSRZTNER-UHFFFAOYSA-N 0 2 406.895 3.862 20 0 HHADLN COC[C@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccc(F)cc1 ZINC000541799994 1012677939 /nfs/dbraw/zinc/67/79/39/1012677939.db2.gz UIAZHRNNSXCTAX-HNNXBMFYSA-N 0 2 406.870 3.929 20 0 HHADLN CC(C)(C)c1nc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cs1 ZINC000523955354 1012696416 /nfs/dbraw/zinc/69/64/16/1012696416.db2.gz KQTZCIZMDYCEJB-UHFFFAOYSA-N 0 2 422.557 3.950 20 0 HHADLN CCCc1cnc(NS(=O)(=O)c2cc(N(C)C)ccc2Br)s1 ZINC000537353437 1012820043 /nfs/dbraw/zinc/82/00/43/1012820043.db2.gz XETKLTNMXHPUTB-UHFFFAOYSA-N 0 2 404.355 3.725 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3c(C)cccc3C)cc2)nc(C)n1 ZINC000537392423 1012874257 /nfs/dbraw/zinc/87/42/57/1012874257.db2.gz IHGNGYGTSZNYIH-UHFFFAOYSA-N 0 2 424.526 3.692 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)ccc1Cl ZINC000760267656 1071811294 /nfs/dbraw/zinc/81/12/94/1071811294.db2.gz ICZAFNRAJORHMC-UHFFFAOYSA-N 0 2 421.853 3.718 20 0 HHADLN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(OC(C)C)nc1 ZINC000614878876 1071952815 /nfs/dbraw/zinc/95/28/15/1071952815.db2.gz VLVMWUDHSQEOBC-UHFFFAOYSA-N 0 2 415.309 3.831 20 0 HHADLN O=S(=O)(Nc1ncn(Cc2ccccc2)n1)c1cc(Cl)ccc1C(F)(F)F ZINC000568788947 1071966058 /nfs/dbraw/zinc/96/60/58/1071966058.db2.gz GWGMJIIWCMEGNM-UHFFFAOYSA-N 0 2 416.812 3.799 20 0 HHADLN CCCn1ccc2ccc(NS(=O)(=O)c3c(OC)cc(OC)cc3OC)cc21 ZINC000488217851 1072133269 /nfs/dbraw/zinc/13/32/69/1072133269.db2.gz DPBFAKOWXPJVPU-UHFFFAOYSA-N 0 2 404.488 3.878 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCCC[C@@H]3C)ccc2F)cc1 ZINC000913419222 1072391165 /nfs/dbraw/zinc/39/11/65/1072391165.db2.gz GMJZIVXTNIMAJP-LIRRHRJNSA-N 0 2 420.506 3.944 20 0 HHADLN CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1ccc(Oc2nncc3ccccc32)cc1 ZINC000760492030 1072396810 /nfs/dbraw/zinc/39/68/10/1072396810.db2.gz ZPXHXQSWNBVOSS-UHFFFAOYSA-N 0 2 418.375 3.818 20 0 HHADLN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3cc(F)c(F)cc3F)cc2F)C[C@@H](C)O1 ZINC000729835633 1072404616 /nfs/dbraw/zinc/40/46/16/1072404616.db2.gz GTEQWHGMDGCZRU-GHMZBOCLSA-N 0 2 418.412 3.657 20 0 HHADLN COC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000571389799 1072613076 /nfs/dbraw/zinc/61/30/76/1072613076.db2.gz NPNICILNWLMHNF-UHFFFAOYSA-N 0 2 409.407 3.693 20 0 HHADLN COCc1ccccc1NS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000571595787 1072673987 /nfs/dbraw/zinc/67/39/87/1072673987.db2.gz HCFJLQZLRJWWJE-UHFFFAOYSA-N 0 2 407.289 3.945 20 0 HHADLN CCOC(=O)c1n[nH]c(-c2cccc(CNCc3c(Cl)cccc3OC)c2)n1 ZINC000571687806 1072697253 /nfs/dbraw/zinc/69/72/53/1072697253.db2.gz RRSREFKQIZGTCA-UHFFFAOYSA-N 0 2 400.866 3.600 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)c(F)c1 ZINC000479112864 1072729720 /nfs/dbraw/zinc/72/97/20/1072729720.db2.gz BDYDDFOAVLZKKX-UHFFFAOYSA-N 0 2 411.505 3.779 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc3c[nH]nc3cc2C)cnn1-c1ccc(Cl)cc1 ZINC000479126324 1072734818 /nfs/dbraw/zinc/73/48/18/1072734818.db2.gz FXPPQQOXLNRXPU-UHFFFAOYSA-N 0 2 401.879 3.820 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)c(F)c1 ZINC000479129049 1072738776 /nfs/dbraw/zinc/73/87/76/1072738776.db2.gz KHDJCJAMOYVPGP-UHFFFAOYSA-N 0 2 406.357 3.612 20 0 HHADLN CC(C)(C)n1cnc(NS(=O)(=O)c2ccc3cc(Br)ccc3c2)n1 ZINC000479133370 1072742894 /nfs/dbraw/zinc/74/28/94/1072742894.db2.gz WUYADBXEEPXLEW-UHFFFAOYSA-N 0 2 409.309 3.750 20 0 HHADLN COC(=O)CCSc1ncccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000479136386 1072746713 /nfs/dbraw/zinc/74/67/13/1072746713.db2.gz LAVBYDWCMKCQNN-UHFFFAOYSA-N 0 2 421.327 3.844 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(CC(C)C)s1 ZINC000479137076 1072748805 /nfs/dbraw/zinc/74/88/05/1072748805.db2.gz MNYCZWBHEZNYDK-UHFFFAOYSA-N 0 2 419.956 3.606 20 0 HHADLN CCC[C@@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)OC)s3)c2C1 ZINC000479146684 1072769016 /nfs/dbraw/zinc/76/90/16/1072769016.db2.gz GLZJGHFGOFVXRL-CYBMUJFWSA-N 0 2 408.545 3.840 20 0 HHADLN CCC[C@@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)OC)s3)c2C1 ZINC000479146684 1072769027 /nfs/dbraw/zinc/76/90/27/1072769027.db2.gz GLZJGHFGOFVXRL-CYBMUJFWSA-N 0 2 408.545 3.840 20 0 HHADLN O=S(=O)(Nc1c(-c2ccncc2)nc2ccccn21)c1ccc2ncsc2c1 ZINC000479151818 1072774574 /nfs/dbraw/zinc/77/45/74/1072774574.db2.gz HRGKCDKGDUTYEB-UHFFFAOYSA-N 0 2 407.480 3.807 20 0 HHADLN Cc1ccc(CN(C)C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)o1 ZINC000554885331 1072925505 /nfs/dbraw/zinc/92/55/05/1072925505.db2.gz WMYCBWSBVKUILE-UHFFFAOYSA-N 0 2 406.489 3.509 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)[C@H]1CCN(c2ccccc2F)C1 ZINC000555017268 1073071658 /nfs/dbraw/zinc/07/16/58/1073071658.db2.gz UKUFNKCCDMNAGJ-LBPRGKRZSA-N 0 2 402.882 3.885 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1nnc(C(C)(C)C)n1Cc1ccccc1 ZINC000555149369 1073203170 /nfs/dbraw/zinc/20/31/70/1073203170.db2.gz KZHSFYDYJNTPOW-UHFFFAOYSA-N 0 2 408.531 3.971 20 0 HHADLN Cc1ccc(C[C@H]2CCCN(C(=O)NCc3nnc(COc4ccccc4)[nH]3)C2)cc1 ZINC000555340745 1073353524 /nfs/dbraw/zinc/35/35/24/1073353524.db2.gz WNKCUUWUHPNWLD-HXUWFJFHSA-N 0 2 419.529 3.856 20 0 HHADLN CCc1ccc([C@@H](C)C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)cc1 ZINC000589947477 1073431623 /nfs/dbraw/zinc/43/16/23/1073431623.db2.gz ZKBWDPGVMNQPRH-CYBMUJFWSA-N 0 2 416.528 3.644 20 0 HHADLN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001127128559 1073488275 /nfs/dbraw/zinc/48/82/75/1073488275.db2.gz ZDGLVNJUTKLNGC-CYBMUJFWSA-N 0 2 412.408 3.874 20 0 HHADLN Cc1c(C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)cnn1-c1cccc(Cl)c1 ZINC000555534428 1073598614 /nfs/dbraw/zinc/59/86/14/1073598614.db2.gz GEIYZMDYGHYRLV-UHFFFAOYSA-N 0 2 408.849 3.886 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000555536087 1073600923 /nfs/dbraw/zinc/60/09/23/1073600923.db2.gz VYIASGSHPOIVPU-LJQANCHMSA-N 0 2 409.465 3.618 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000555536087 1073600924 /nfs/dbraw/zinc/60/09/24/1073600924.db2.gz VYIASGSHPOIVPU-LJQANCHMSA-N 0 2 409.465 3.618 20 0 HHADLN O=C(Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1cccc(C(F)F)c1 ZINC000591151844 1074153059 /nfs/dbraw/zinc/15/30/59/1074153059.db2.gz HTXZLGPZFFNQOY-UHFFFAOYSA-N 0 2 410.427 3.529 20 0 HHADLN CCC(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)cc1 ZINC000591679287 1074468823 /nfs/dbraw/zinc/46/88/23/1074468823.db2.gz DAMFEVXUVOIRFX-UHFFFAOYSA-N 0 2 413.858 3.587 20 0 HHADLN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000592006939 1074655885 /nfs/dbraw/zinc/65/58/85/1074655885.db2.gz NZQKTBRLZFHDNF-UHFFFAOYSA-N 0 2 417.270 3.524 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3ccc(OC)c(OC(C)C)c3)cc2[nH]c1=S ZINC000760997272 1075107010 /nfs/dbraw/zinc/10/70/10/1075107010.db2.gz MYUYUWPJMHWSCD-UHFFFAOYSA-N 0 2 413.499 3.753 20 0 HHADLN Cn1c2ccc(NC(=O)c3ccc4c(c3)[nH]c(=S)n(C)c4=O)cc2nc1C(C)(C)C ZINC000761021977 1075199768 /nfs/dbraw/zinc/19/97/68/1075199768.db2.gz FGOVBWJLCJEQKD-UHFFFAOYSA-N 0 2 421.526 3.659 20 0 HHADLN CCN(C)C(=O)c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000574549809 1075288964 /nfs/dbraw/zinc/28/89/64/1075288964.db2.gz GBBURESATPNZNU-UHFFFAOYSA-N 0 2 404.385 3.737 20 0 HHADLN CCOc1ccc(CC(=O)NCC[C@@H]2C(=O)N(Cc3ccccc3C)N=C2CC)cc1 ZINC000575105237 1075477972 /nfs/dbraw/zinc/47/79/72/1075477972.db2.gz XZSCAZKSFVQDGV-QFIPXVFZSA-N 0 2 421.541 3.867 20 0 HHADLN CC(C)(C)Cc1nc2cc(NS(=O)(=O)c3cccc4c3OCCO4)ccc2o1 ZINC000595869223 1075520327 /nfs/dbraw/zinc/52/03/27/1075520327.db2.gz GIZJGSORXWHYGN-UHFFFAOYSA-N 0 2 402.472 3.988 20 0 HHADLN COCCc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)cc1 ZINC000596534819 1075567848 /nfs/dbraw/zinc/56/78/48/1075567848.db2.gz RFGVYGFCPZGGSD-UHFFFAOYSA-N 0 2 423.897 3.714 20 0 HHADLN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000596900454 1075594787 /nfs/dbraw/zinc/59/47/87/1075594787.db2.gz OCOBQIMHOAJPTC-CQSZACIVSA-N 0 2 420.947 3.735 20 0 HHADLN O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(Cl)cc1F ZINC000601433170 1075615298 /nfs/dbraw/zinc/61/52/98/1075615298.db2.gz XGVCDWCAMAGPKT-UHFFFAOYSA-N 0 2 402.838 3.990 20 0 HHADLN O=C([O-])C1(NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CCCCC1 ZINC000780569836 939133779 /nfs/dbraw/zinc/13/37/79/939133779.db2.gz DZJVBAKMOFDVGQ-INIZCTEOSA-N 0 2 411.905 3.530 20 0 HHADLN O=C([O-])C1(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CCCCC1 ZINC000780569836 939133780 /nfs/dbraw/zinc/13/37/80/939133780.db2.gz DZJVBAKMOFDVGQ-INIZCTEOSA-N 0 2 411.905 3.530 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N[C@@H](c3ccc(OC)cc3)C(C)C)cc2[nH]c1=S ZINC000302853358 971355098 /nfs/dbraw/zinc/35/50/98/971355098.db2.gz BAYHVDLPZQCWII-LJQANCHMSA-N 0 2 411.527 3.841 20 0 HHADLN O=C(Nc1ccc(OCc2cccc(F)c2)c(F)c1)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000303234347 971572783 /nfs/dbraw/zinc/57/27/83/971572783.db2.gz ZOGLQZPVSPEHJX-UHFFFAOYSA-N 0 2 424.363 3.546 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)C1(c2ccccc2Cl)CCOCC1 ZINC000303251263 971580785 /nfs/dbraw/zinc/58/07/85/971580785.db2.gz BKQIVDXUEZKLRE-UHFFFAOYSA-N 0 2 417.918 3.757 20 0 HHADLN O=S(=O)([N-]CC1CC[NH+](Cc2ccccc2Cl)CC1)c1c(F)cccc1F ZINC000303309246 971618282 /nfs/dbraw/zinc/61/82/82/971618282.db2.gz OOGKOMIJAZZRSZ-UHFFFAOYSA-N 0 2 414.905 3.809 20 0 HHADLN COc1cccc(-c2cc(NS(=O)(=O)c3cncc(F)c3)n(-c3ccccc3)n2)c1 ZINC000524298344 1013110686 /nfs/dbraw/zinc/11/06/86/1013110686.db2.gz BXNOLMSEFRZDIE-UHFFFAOYSA-N 0 2 424.457 3.883 20 0 HHADLN O=S(=O)(Nc1ccc(OCc2noc(C3CC3)n2)cc1)c1cc(F)ccc1F ZINC000303544238 971844116 /nfs/dbraw/zinc/84/41/16/971844116.db2.gz ZBWUJELWWGEOKP-UHFFFAOYSA-N 0 2 407.398 3.605 20 0 HHADLN COC(=O)c1cc(Br)c(F)cc1NS(=O)(=O)c1ccccc1Cl ZINC000542233695 1013188267 /nfs/dbraw/zinc/18/82/67/1013188267.db2.gz VHUJPHHNWSLBNU-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)c1 ZINC000542235983 1013192860 /nfs/dbraw/zinc/19/28/60/1013192860.db2.gz DGJDHTSDMYUXBZ-UHFFFAOYSA-N 0 2 415.471 3.740 20 0 HHADLN CS(=O)(=O)c1ccc2nc(NS(=O)(=O)c3ccc4ccccc4c3)sc2c1 ZINC000002647363 960472031 /nfs/dbraw/zinc/47/20/31/960472031.db2.gz LFFVUCNHTYEWBF-UHFFFAOYSA-N 0 2 418.521 3.654 20 0 HHADLN Cc1csc(C(C#N)C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)n1 ZINC000007826626 961337999 /nfs/dbraw/zinc/33/79/99/961337999.db2.gz FODONSCLERBUAV-CYBMUJFWSA-N 0 2 403.920 3.869 20 0 HHADLN CCCOc1ccccc1NC(=O)CC1S/C(=N\CCc2ccccc2)NC1=O ZINC000007883406 961361967 /nfs/dbraw/zinc/36/19/67/961361967.db2.gz ICPGEUCRVLNKPC-IBGZPJMESA-N 0 2 411.527 3.634 20 0 HHADLN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(-c3ccccc3F)o2)C1=O ZINC000008159816 961453292 /nfs/dbraw/zinc/45/32/92/961453292.db2.gz MWSMLWDFCXVTOP-QFIPXVFZSA-N 0 2 407.401 3.588 20 0 HHADLN Cc1cc(C(=O)COC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)c(C)n1C ZINC000009739239 961675770 /nfs/dbraw/zinc/67/57/70/961675770.db2.gz KMULWPKNIZWKJC-UHFFFAOYSA-N 0 2 421.375 3.592 20 0 HHADLN CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)s1 ZINC000010105230 961744401 /nfs/dbraw/zinc/74/44/01/961744401.db2.gz MZSSZXKTIZIKHQ-JXMROGBWSA-N 0 2 420.541 3.615 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NCc3ccc4cc(OC)ccc4c3)cc2[nH]c1=S ZINC000011126100 962013661 /nfs/dbraw/zinc/01/36/61/962013661.db2.gz GGHIKLKXPUSSBO-UHFFFAOYSA-N 0 2 419.506 3.797 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3ccc(N4CCCC4)cc3C)cc2[nH]c1=S ZINC000011574478 962131579 /nfs/dbraw/zinc/13/15/79/962131579.db2.gz DYSVXJRGASPPSF-UHFFFAOYSA-N 0 2 408.527 3.866 20 0 HHADLN CSc1nc2nc(C)c(CC(=O)Nc3cc(Cl)cc(Cl)c3O)c(C)n2n1 ZINC000537755252 1013318243 /nfs/dbraw/zinc/31/82/43/1013318243.db2.gz JMSWQDMJINJSOH-UHFFFAOYSA-N 0 2 412.302 3.657 20 0 HHADLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000014120939 962426542 /nfs/dbraw/zinc/42/65/42/962426542.db2.gz AIQIMEJLVOOZNX-UHFFFAOYSA-N 0 2 406.851 3.599 20 0 HHADLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(NC(=O)OCC)cc1 ZINC000014376420 962492075 /nfs/dbraw/zinc/49/20/75/962492075.db2.gz RZMIIKGNPKOEFB-UHFFFAOYSA-N 0 2 414.487 3.605 20 0 HHADLN Cc1ccc2c(c1)S[C@@H](C(=O)NNC(=O)c1ccc(COc3ccccc3)o1)C2 ZINC000014416814 962503397 /nfs/dbraw/zinc/50/33/97/962503397.db2.gz SOCRDPZKTHFVIK-HXUWFJFHSA-N 0 2 408.479 3.645 20 0 HHADLN CSCc1nc2ccccc2n1CC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000553439049 1013354901 /nfs/dbraw/zinc/35/49/01/1013354901.db2.gz KRFLDRNGQRQPMJ-UHFFFAOYSA-N 0 2 401.542 3.540 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2cccc3cccnc32)cc1OC ZINC000014867579 962593024 /nfs/dbraw/zinc/59/30/24/962593024.db2.gz UOHLFQMKDPFVNB-UHFFFAOYSA-N 0 2 423.288 3.815 20 0 HHADLN O=S(=O)(Nc1ccc(I)cc1)c1ccc(F)c(F)c1F ZINC000016125333 962953521 /nfs/dbraw/zinc/95/35/21/962953521.db2.gz WJZQMOAOQCWOLO-UHFFFAOYSA-N 0 2 413.158 3.509 20 0 HHADLN Cc1csc(C(C#N)C(=O)CSc2nnc(-c3ccccc3Cl)n2C)n1 ZINC000020074948 963383076 /nfs/dbraw/zinc/38/30/76/963383076.db2.gz BTKTZMLMRGJXNR-LBPRGKRZSA-N 0 2 403.920 3.869 20 0 HHADLN O=S(=O)(c1c(Cl)ccc(F)c1F)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000553534602 1013432220 /nfs/dbraw/zinc/43/22/20/1013432220.db2.gz XYXUAFQYYJXGJV-CQSZACIVSA-N 0 2 424.860 3.929 20 0 HHADLN COc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)oc(=O)n3C)oc1ccccc12 ZINC000022902943 963736692 /nfs/dbraw/zinc/73/66/92/963736692.db2.gz FKOQAKAUZJAYLK-UHFFFAOYSA-N 0 2 424.434 3.840 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N(C)Cc3c(F)cccc3Cl)cc2[nH]c1=S ZINC000023529082 963846962 /nfs/dbraw/zinc/84/69/62/963846962.db2.gz OIJBNWAHCBJKSE-UHFFFAOYSA-N 0 2 417.893 3.936 20 0 HHADLN COC(=O)CCSc1ncccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000542516669 1013460340 /nfs/dbraw/zinc/46/03/40/1013460340.db2.gz XXCUUWMDQHTSLS-UHFFFAOYSA-N 0 2 420.434 3.556 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)N[C@@H](C)CCCC(C)C)cc2[nH]c1=S ZINC000051202388 964491380 /nfs/dbraw/zinc/49/13/80/964491380.db2.gz XYDLPRVRCSQCDS-HNNXBMFYSA-N 0 2 405.564 3.666 20 0 HHADLN O=S(=O)(Nc1ccccc1-n1cncn1)c1cc(C(F)(F)F)ccc1Cl ZINC000026542042 964595040 /nfs/dbraw/zinc/59/50/40/964595040.db2.gz PVYNMZUKWOHJLI-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000029095062 965263111 /nfs/dbraw/zinc/26/31/11/965263111.db2.gz BYDHCBREOCBCJV-UHFFFAOYSA-N 0 2 400.847 3.565 20 0 HHADLN O=C(Nc1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1c[nH]c2ncccc12 ZINC000057116105 965287240 /nfs/dbraw/zinc/28/72/40/965287240.db2.gz MHKQXTRYNZAKIS-UHFFFAOYSA-N 0 2 410.430 3.755 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1OCC(F)(F)F)c1c[nH]c2ncccc12 ZINC000057116967 965288798 /nfs/dbraw/zinc/28/87/98/965288798.db2.gz XKGBWPUIAGYCGI-UHFFFAOYSA-N 0 2 405.785 3.958 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CC(=O)N[C@@H]4CCCC[C@@H]4C)nc(=O)c3s2)cc1 ZINC000053852604 965293464 /nfs/dbraw/zinc/29/34/64/965293464.db2.gz MTEKZVUADFGSBV-XJKSGUPXSA-N 0 2 411.527 3.898 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)C=Cc1ccc2ccc(Cl)cc2n1 ZINC000029807174 965509429 /nfs/dbraw/zinc/50/94/29/965509429.db2.gz GSLVGZVJUQORFC-VOTSOKGWSA-N 0 2 410.886 3.858 20 0 HHADLN CCCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)cc1 ZINC000057680369 965520674 /nfs/dbraw/zinc/52/06/74/965520674.db2.gz WVSNXKKKGPGIPJ-UHFFFAOYSA-N 0 2 419.528 3.793 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(Cl)cc1 ZINC000057933156 965584870 /nfs/dbraw/zinc/58/48/70/965584870.db2.gz MMYGWFMBHSKSGM-UHFFFAOYSA-N 0 2 419.959 3.578 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)CCC4)cc2)nc(C)n1 ZINC000057948437 965590379 /nfs/dbraw/zinc/59/03/79/965590379.db2.gz KCOPOUWVFAYMOA-UHFFFAOYSA-N 0 2 422.510 3.635 20 0 HHADLN O=C1c2ccccc2N[C@@H](c2cc([N+](=O)[O-])ccc2O)N1c1ccc2c(c1)OCCO2 ZINC000057949333 965590523 /nfs/dbraw/zinc/59/05/23/965590523.db2.gz VJKGXAISNUWNIW-OAQYLSRUSA-N 0 2 419.393 3.843 20 0 HHADLN CCCCCC/N=C1\NC(=O)C(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S1 ZINC000055117485 965760319 /nfs/dbraw/zinc/76/03/19/965760319.db2.gz QIOUURBLUNJDTB-CQSZACIVSA-N 0 2 412.899 3.745 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(CCCO)[C@@H]3CCc4ccccc43)s[nH]2)c1 ZINC000542688857 1013608060 /nfs/dbraw/zinc/60/80/60/1013608060.db2.gz SBQWDHJPLAMFFE-LJQANCHMSA-N 0 2 424.526 3.539 20 0 HHADLN O=S(=O)(Nc1cccc(Cl)c1N1CCOCC1)c1cccc(Cl)c1F ZINC000055579727 965933853 /nfs/dbraw/zinc/93/38/53/965933853.db2.gz GJTRPGKSRMVPDO-UHFFFAOYSA-N 0 2 405.278 3.770 20 0 HHADLN Cc1ccc(-c2nc(C)c(C(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)s2)o1 ZINC000031258405 965955829 /nfs/dbraw/zinc/95/58/29/965955829.db2.gz DNTXLSIYMAKWKQ-UHFFFAOYSA-N 0 2 400.485 3.590 20 0 HHADLN O=S(=O)(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(Br)s1 ZINC000055631643 965975286 /nfs/dbraw/zinc/97/52/86/965975286.db2.gz IMDAWRRUXWHRSV-ZDUSSCGKSA-N 0 2 418.334 3.869 20 0 HHADLN CCCCCn1cc(CNC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)c(C)n1 ZINC000542695776 1013613792 /nfs/dbraw/zinc/61/37/92/1013613792.db2.gz CSTJHPSDPFECMO-UHFFFAOYSA-N 0 2 414.535 3.652 20 0 HHADLN CC[C@@H](C)Oc1cc(CNC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)ccn1 ZINC000542696634 1013613804 /nfs/dbraw/zinc/61/38/04/1013613804.db2.gz WLTBBXIJBLGJTO-CYBMUJFWSA-N 0 2 413.503 3.530 20 0 HHADLN CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2ccccc2C(=O)OC)cc1 ZINC000055632896 965977527 /nfs/dbraw/zinc/97/75/27/965977527.db2.gz NVPCLJMNXRKBLR-UHFFFAOYSA-N 0 2 418.515 3.536 20 0 HHADLN C[C@@H]1C[C@H](c2ccccc2)CCN1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000542701019 1013617482 /nfs/dbraw/zinc/61/74/82/1013617482.db2.gz XZPIHMKRWIXLSO-IEBWSBKVSA-N 0 2 405.502 3.861 20 0 HHADLN CCc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)c(C#N)c(=O)[nH]2)cc1 ZINC000031610559 966066294 /nfs/dbraw/zinc/06/62/94/966066294.db2.gz CJGFBFLSMOJOTF-UHFFFAOYSA-N 0 2 420.494 3.610 20 0 HHADLN O=S(=O)(Nc1cccc(Cl)c1-n1cncn1)c1ccccc1OC(F)(F)F ZINC000031669466 966080851 /nfs/dbraw/zinc/08/08/51/966080851.db2.gz LRZVRJKJUASXHZ-UHFFFAOYSA-N 0 2 418.784 3.620 20 0 HHADLN CCN(CC)C(=O)Cn1ccc2cc(NS(=O)(=O)c3cc(F)ccc3F)ccc21 ZINC000060318341 966087883 /nfs/dbraw/zinc/08/78/83/966087883.db2.gz ZYKMCLXYOVHKEI-UHFFFAOYSA-N 0 2 421.469 3.589 20 0 HHADLN O=S(=O)(Nc1nc2ccccc2s1)c1cc(Br)cc2c1OCC2 ZINC000542713374 1013625944 /nfs/dbraw/zinc/62/59/44/1013625944.db2.gz BOONMMSJMNULOE-UHFFFAOYSA-N 0 2 411.302 3.795 20 0 HHADLN C[S@](=O)C[C@@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccccc1 ZINC000542726515 1013638377 /nfs/dbraw/zinc/63/83/77/1013638377.db2.gz BWJNBIJMBAAOLG-RXAIFQJESA-N 0 2 420.947 3.522 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000032588499 966287044 /nfs/dbraw/zinc/28/70/44/966287044.db2.gz OZDFXYTTYVAADH-UHFFFAOYSA-N 0 2 407.444 3.525 20 0 HHADLN CCCOC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccccc1C#N ZINC000060839084 966305614 /nfs/dbraw/zinc/30/56/14/966305614.db2.gz OBDGFQNLCMHEOH-UHFFFAOYSA-N 0 2 423.288 3.688 20 0 HHADLN N#CC(C(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1nc2ccccc2s1 ZINC000041498122 966581716 /nfs/dbraw/zinc/58/17/16/966581716.db2.gz HQOOVLISCVTUIX-GOSISDBHSA-N 0 2 419.506 3.790 20 0 HHADLN N#C[C@H](C(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1nc2ccccc2s1 ZINC000041498122 966581722 /nfs/dbraw/zinc/58/17/22/966581722.db2.gz HQOOVLISCVTUIX-GOSISDBHSA-N 0 2 419.506 3.790 20 0 HHADLN CC[C@@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000041541155 966590999 /nfs/dbraw/zinc/59/09/99/966590999.db2.gz IHXHANMNNCDYCX-ZBFHGGJFSA-N 0 2 406.833 3.962 20 0 HHADLN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C1 ZINC000553868511 1013666776 /nfs/dbraw/zinc/66/67/76/1013666776.db2.gz VDAIAHSPVDVPBK-QWHCGFSZSA-N 0 2 406.939 3.504 20 0 HHADLN CC(=O)c1cccc(O[C@H](C)C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c1 ZINC000553874039 1013670051 /nfs/dbraw/zinc/67/00/51/1013670051.db2.gz XPFAWTZVGVXRMQ-GFCCVEGCSA-N 0 2 401.875 3.889 20 0 HHADLN COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000063181665 966770639 /nfs/dbraw/zinc/77/06/39/966770639.db2.gz VPOWYFAXXFLBML-UHFFFAOYSA-N 0 2 423.796 3.955 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2nc(-c3ccc(C)s3)cs2)c1 ZINC000063184180 966772137 /nfs/dbraw/zinc/77/21/37/966772137.db2.gz QWEHQBIGOAIZCT-UHFFFAOYSA-N 0 2 412.489 3.907 20 0 HHADLN C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc2c(c1)[nH]c(=S)n(CC=C)c2=O ZINC000063535339 966884250 /nfs/dbraw/zinc/88/42/50/966884250.db2.gz XOVGXRPWSBLPCL-UHFFFAOYSA-N 0 2 421.522 3.708 20 0 HHADLN CCCCOc1ccc(C(=O)NNC(=O)c2csc(CC(C)C)n2)cc1OC ZINC000063636402 966912670 /nfs/dbraw/zinc/91/26/70/966912670.db2.gz MJJMPNYOLCTZTO-UHFFFAOYSA-N 0 2 405.520 3.604 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1csc(-c2ccccc2F)n1 ZINC000063691311 966928677 /nfs/dbraw/zinc/92/86/77/966928677.db2.gz QBKCRUSBORQOOS-UHFFFAOYSA-N 0 2 400.460 3.519 20 0 HHADLN O=S(=O)(Nc1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1)c1ccccc1 ZINC000064478077 967204683 /nfs/dbraw/zinc/20/46/83/967204683.db2.gz MTPACSITCQWNNZ-UHFFFAOYSA-N 0 2 424.450 3.566 20 0 HHADLN O=C(NNC(=O)c1cccc2cccnc21)c1ccc(COc2ccc(F)cc2)o1 ZINC000064501460 967215467 /nfs/dbraw/zinc/21/54/67/967215467.db2.gz GKCNHPZVSMGPRJ-UHFFFAOYSA-N 0 2 405.385 3.621 20 0 HHADLN O=C(NNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc(COc2ccccc2)o1 ZINC000045013211 967330631 /nfs/dbraw/zinc/33/06/31/967330631.db2.gz CAZSMFHFNCBCBP-CVEARBPZSA-N 0 2 410.392 3.988 20 0 HHADLN O=C(NNC(=O)c1cnc(-c2ccccc2Cl)s1)c1cc(-c2ccccc2)n[nH]1 ZINC000065308500 967433218 /nfs/dbraw/zinc/43/32/18/967433218.db2.gz RGYHOQBKVAQNGJ-UHFFFAOYSA-N 0 2 423.885 3.928 20 0 HHADLN Cn1cc(-c2nc(C(=O)Nc3nc(-c4cccc5ccccc54)n[nH]3)cs2)cn1 ZINC000065514527 967501726 /nfs/dbraw/zinc/50/17/26/967501726.db2.gz MBAFYHOYJUFGSN-UHFFFAOYSA-N 0 2 401.455 3.734 20 0 HHADLN O=C(CCCc1ncc(-c2ccccc2)o1)NNC(=O)c1cc(-c2ccccc2)on1 ZINC000046573595 967864399 /nfs/dbraw/zinc/86/43/99/967864399.db2.gz YZXWCLDSHYNITN-UHFFFAOYSA-N 0 2 416.437 3.781 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc2cc(Br)ccc2o1 ZINC000046705466 967930775 /nfs/dbraw/zinc/93/07/75/967930775.db2.gz UFZAIGVYJNAXAS-UHFFFAOYSA-N 0 2 418.272 3.766 20 0 HHADLN CC(C)(C)n1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cn1 ZINC000065833731 968670796 /nfs/dbraw/zinc/67/07/96/968670796.db2.gz ULEDAQCKBFKYTE-UHFFFAOYSA-N 0 2 416.478 3.830 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)cc2)c1 ZINC000538299095 1013834552 /nfs/dbraw/zinc/83/45/52/1013834552.db2.gz QDZLVAXCCDSSHX-UHFFFAOYSA-N 0 2 418.515 3.606 20 0 HHADLN O=S(=O)(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccc(F)c2ncccc12 ZINC000072045296 968956646 /nfs/dbraw/zinc/95/66/46/968956646.db2.gz KLFQSSXMAXAYDK-KRWDZBQOSA-N 0 2 412.446 3.903 20 0 HHADLN Cc1ncccc1NS(=O)(=O)c1cc(Br)ccc1Br ZINC000097992116 969182676 /nfs/dbraw/zinc/18/26/76/969182676.db2.gz RHDMRKINSSYQMH-UHFFFAOYSA-N 0 2 406.099 3.716 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2F)cc1 ZINC000098066379 969188262 /nfs/dbraw/zinc/18/82/62/969188262.db2.gz WHVUIXZAETUAFN-UHFFFAOYSA-N 0 2 400.431 3.887 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cccs3)ccc2F)cc1 ZINC000098067891 969188770 /nfs/dbraw/zinc/18/87/70/969188770.db2.gz WWCPQCSZMDBNFZ-UHFFFAOYSA-N 0 2 420.487 3.627 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1cccc2c1N=S=N2 ZINC000109020816 969450622 /nfs/dbraw/zinc/45/06/22/969450622.db2.gz GEJMXROJILTOSO-CQSZACIVSA-N 0 2 401.473 3.942 20 0 HHADLN CC[C@H](OC)C(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000109342058 969502718 /nfs/dbraw/zinc/50/27/18/969502718.db2.gz DSESBAYZMYLQRS-HNNXBMFYSA-N 0 2 400.859 3.643 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc(N(C)C)nc2)cc1 ZINC000109970005 969602594 /nfs/dbraw/zinc/60/25/94/969602594.db2.gz BEKWDQGMDYKGNG-UHFFFAOYSA-N 0 2 416.528 3.571 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000116315693 969886239 /nfs/dbraw/zinc/88/62/39/969886239.db2.gz METRRWPRLIGNOW-UHFFFAOYSA-N 0 2 400.847 3.565 20 0 HHADLN O=C(CCCc1cccs1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000137000134 969979205 /nfs/dbraw/zinc/97/92/05/969979205.db2.gz TXEMCKLZOZYAAU-UHFFFAOYSA-N 0 2 407.542 3.967 20 0 HHADLN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000216178918 970064778 /nfs/dbraw/zinc/06/47/78/970064778.db2.gz OFHHDPSZKKLGEI-UHFFFAOYSA-N 0 2 419.268 3.595 20 0 HHADLN Cc1ccc(-c2ncc(C(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)s2)c(C)c1 ZINC000148825596 970372616 /nfs/dbraw/zinc/37/26/16/970372616.db2.gz IMEOJKQEHLQSOE-UHFFFAOYSA-N 0 2 410.524 3.997 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)cc2[nH]c1=S ZINC000248242108 970522352 /nfs/dbraw/zinc/52/23/52/970522352.db2.gz OXJPIVBUNUUTPA-SFHVURJKSA-N 0 2 421.526 3.709 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NC[C@@H](Nc3ccccc3)C(C)C)cc2[nH]c1=S ZINC000248294588 970526399 /nfs/dbraw/zinc/52/63/99/970526399.db2.gz WFTJBGWZNQNMLQ-LJQANCHMSA-N 0 2 410.543 3.572 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(Br)cc3cccnc32)cc(OC)c1 ZINC000554686385 1014012975 /nfs/dbraw/zinc/01/29/75/1014012975.db2.gz HHOYOICPXBJMOY-UHFFFAOYSA-N 0 2 423.288 3.815 20 0 HHADLN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1OCC(F)F ZINC000554690340 1014014365 /nfs/dbraw/zinc/01/43/65/1014014365.db2.gz UUWOBPAEEOSECB-UHFFFAOYSA-N 0 2 405.806 3.571 20 0 HHADLN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c(Cl)c1 ZINC000554704955 1014022269 /nfs/dbraw/zinc/02/22/69/1014022269.db2.gz UNNKHZUYMOVHPM-INIZCTEOSA-N 0 2 418.906 3.660 20 0 HHADLN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c(Cl)c1 ZINC000554704956 1014022365 /nfs/dbraw/zinc/02/23/65/1014022365.db2.gz UNNKHZUYMOVHPM-MRXNPFEDSA-N 0 2 418.906 3.660 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cncc(Br)c2)sc1Br ZINC000310600383 972621728 /nfs/dbraw/zinc/62/17/28/972621728.db2.gz OZHUEDYKYKKKOB-UHFFFAOYSA-N 0 2 412.128 3.777 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000318008422 972659037 /nfs/dbraw/zinc/65/90/37/972659037.db2.gz HJGVMRNBMOPMLF-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN Cc1nc(Br)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000318941094 972668069 /nfs/dbraw/zinc/66/80/69/972668069.db2.gz ZAWXQNVCJYMWOE-UHFFFAOYSA-N 0 2 406.645 3.515 20 0 HHADLN CCOc1cc(C)ccc1NS(=O)(=O)c1cc(Br)ccc1OC ZINC000320291357 972679526 /nfs/dbraw/zinc/67/95/26/972679526.db2.gz YSASLJKLCONOLK-UHFFFAOYSA-N 0 2 400.294 3.966 20 0 HHADLN CCNC(=O)c1cccc(NS(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000323980882 972718571 /nfs/dbraw/zinc/71/85/71/972718571.db2.gz FCPKISUDMCABPE-UHFFFAOYSA-N 0 2 417.712 3.653 20 0 HHADLN O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000326226061 972739993 /nfs/dbraw/zinc/73/99/93/972739993.db2.gz PDOQVGPIIOVGGF-UHFFFAOYSA-N 0 2 413.268 3.516 20 0 HHADLN COc1cc(C)c(NS(=O)(=O)c2ccc(Br)cc2F)cc1OC ZINC000391439213 972840678 /nfs/dbraw/zinc/84/06/78/972840678.db2.gz PZKGYJPJQHSIKQ-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN CCOC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000392362098 972853110 /nfs/dbraw/zinc/85/31/10/972853110.db2.gz YRNXMNUZDBDKBF-UHFFFAOYSA-N 0 2 417.256 3.957 20 0 HHADLN COC(=O)CCCc1csc(NS(=O)(=O)/C=C\c2ccc(Cl)cc2)n1 ZINC000393030511 972860057 /nfs/dbraw/zinc/86/00/57/972860057.db2.gz QJMNGCQNKMTNLY-KTKRTIGZSA-N 0 2 400.909 3.705 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)cc1 ZINC000409491282 972941929 /nfs/dbraw/zinc/94/19/29/972941929.db2.gz OKEOIWSFNSTSOQ-UHFFFAOYSA-N 0 2 401.513 3.883 20 0 HHADLN CN(C)c1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cc1 ZINC000409542116 972998448 /nfs/dbraw/zinc/99/84/48/972998448.db2.gz CRZDKRHSYUOKJM-UHFFFAOYSA-N 0 2 404.243 3.692 20 0 HHADLN O=C(CSCc1ccccn1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000409542749 972998661 /nfs/dbraw/zinc/99/86/61/972998661.db2.gz DDBSZRJZDMUTQE-UHFFFAOYSA-N 0 2 422.283 3.640 20 0 HHADLN COC(=O)Cc1sc(NS(=O)(=O)Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000409569460 973018648 /nfs/dbraw/zinc/01/86/48/973018648.db2.gz FZDOXBXFODLIJS-UHFFFAOYSA-N 0 2 420.487 3.607 20 0 HHADLN O=S(=O)(Nc1ccnn1C[C@@H]1CCOC1)c1c(Cl)cc(Cl)cc1Cl ZINC000409618199 973065524 /nfs/dbraw/zinc/06/55/24/973065524.db2.gz WPNRKTYRRZTMEH-VIFPVBQESA-N 0 2 410.710 3.681 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1cnc2cnccc2c1 ZINC000409672221 973133608 /nfs/dbraw/zinc/13/36/08/973133608.db2.gz PWOHJOLYDZYBGL-UHFFFAOYSA-N 0 2 413.210 3.569 20 0 HHADLN O=C(CCn1cc[nH+]c1)Nc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1F ZINC000409953544 973420714 /nfs/dbraw/zinc/42/07/14/973420714.db2.gz VQISWGSVUWQGEM-UHFFFAOYSA-N 0 2 422.869 3.505 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccccc1N(C)C1CCCC1 ZINC000410327785 973890422 /nfs/dbraw/zinc/89/04/22/973890422.db2.gz VRSPTWWQGSDODW-UHFFFAOYSA-N 0 2 406.504 3.863 20 0 HHADLN C[C@H]1CCCN(Cc2csc(NS(=O)(=O)c3cccc4c3OC(C)(C)C4)n2)C1 ZINC000410329422 973900005 /nfs/dbraw/zinc/90/00/05/973900005.db2.gz YWZICVDLWJNXJF-AWEZNQCLSA-N 0 2 421.588 3.889 20 0 HHADLN CCc1c(NS(=O)(=O)C[C@H](C)c2ccccc2)nnn1Cc1ccc(F)cc1 ZINC000410342171 973927256 /nfs/dbraw/zinc/92/72/56/973927256.db2.gz ZXZOUOSSBVISMT-HNNXBMFYSA-N 0 2 402.495 3.573 20 0 HHADLN O=C1CCCN1c1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1 ZINC000410361653 973954691 /nfs/dbraw/zinc/95/46/91/973954691.db2.gz VOEWVHCYRVVWHS-UHFFFAOYSA-N 0 2 413.268 3.516 20 0 HHADLN Cc1c(NS(=O)(=O)c2cccc(Br)c2F)cnn1CCC(C)C ZINC000410384009 973982132 /nfs/dbraw/zinc/98/21/32/973982132.db2.gz TZWHAUQOQXYGRQ-UHFFFAOYSA-N 0 2 404.305 3.940 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2OC(C)(C)C)cc1OC ZINC000410390611 973988556 /nfs/dbraw/zinc/98/85/56/973988556.db2.gz ZMLKBPKRGWBPTC-UHFFFAOYSA-N 0 2 411.451 3.599 20 0 HHADLN O=S(=O)(Nc1cnc(-c2cccc(O)c2)nc1)c1cccc(Br)c1F ZINC000410392364 973990547 /nfs/dbraw/zinc/99/05/47/973990547.db2.gz KCNGLSFYLKNACO-UHFFFAOYSA-N 0 2 424.251 3.552 20 0 HHADLN O=C1CCN1c1ccc(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1 ZINC000410421394 974019673 /nfs/dbraw/zinc/01/96/73/974019673.db2.gz VQKHMFSEWYYFQR-UHFFFAOYSA-N 0 2 404.797 3.896 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2cc(Br)cc(OC(C)C)c2)c1C ZINC000425996336 974110130 /nfs/dbraw/zinc/11/01/30/974110130.db2.gz ZYLFERIRAFLELU-UHFFFAOYSA-N 0 2 416.341 3.870 20 0 HHADLN COc1cccc(CSC[C@@H]([NH2+]Cc2ccc(Br)o2)C(=O)[O-])c1 ZINC000426714752 974611466 /nfs/dbraw/zinc/61/14/66/974611466.db2.gz FGVBFNVWKLCMQB-CQSZACIVSA-N 0 2 400.294 3.527 20 0 HHADLN O=C([O-])[C@@H]([NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)c1ccc(Cl)c(F)c1 ZINC000426725735 974617941 /nfs/dbraw/zinc/61/79/41/974617941.db2.gz DOYRHRJOYUGHHF-INIZCTEOSA-N 0 2 413.211 3.768 20 0 HHADLN COc1cccc(CSC[C@H]([NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C(=O)[O-])c1 ZINC000426754539 974637221 /nfs/dbraw/zinc/63/72/21/974637221.db2.gz RBXQJTZWBPJSLE-GUYCJALGSA-N 0 2 406.573 3.753 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(-c3ccccc3C)nn2Cc2ccccc2)cnn1C ZINC000427203413 974976469 /nfs/dbraw/zinc/97/64/69/974976469.db2.gz GYDQVELZUDYVJX-UHFFFAOYSA-N 0 2 421.526 3.750 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(-c3nc4cc(F)ccc4n3C)ccc2C)cnn1C ZINC000427262282 975011535 /nfs/dbraw/zinc/01/15/35/975011535.db2.gz GUSMKASAYDFWQI-UHFFFAOYSA-N 0 2 413.478 3.531 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(-c3nc4cc(F)ccc4n3C)cc2C)cnn1C ZINC000427270149 975016452 /nfs/dbraw/zinc/01/64/52/975016452.db2.gz QZNYOWCQLCEXHE-UHFFFAOYSA-N 0 2 413.478 3.531 20 0 HHADLN Cc1cc2cc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)ccc2n(C)c1=O ZINC000427309077 975041910 /nfs/dbraw/zinc/04/19/10/975041910.db2.gz OGNBMWDMCVKIIN-UHFFFAOYSA-N 0 2 414.380 3.806 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NCC2(c3cccc(Br)c3)CC2)cn1 ZINC000427463563 975131711 /nfs/dbraw/zinc/13/17/11/975131711.db2.gz FTAZWUXLTQWIDC-UHFFFAOYSA-N 0 2 414.307 3.517 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3ccc4nc(C)sc4c3)s2)cc1 ZINC000427773510 975280994 /nfs/dbraw/zinc/28/09/94/975280994.db2.gz JTJCPLIGKWQUSX-UHFFFAOYSA-N 0 2 418.525 3.933 20 0 HHADLN CN1Cc2cccc(NS(=O)(=O)c3c(Cl)cccc3Br)c2C1 ZINC000427790056 975290105 /nfs/dbraw/zinc/29/01/05/975290105.db2.gz RDSUVFZSCZZIAE-UHFFFAOYSA-N 0 2 401.713 3.849 20 0 HHADLN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)C1 ZINC000428200329 975525168 /nfs/dbraw/zinc/52/51/68/975525168.db2.gz PRUSTZCFWLDDCP-AUPSIVQCSA-N 0 2 403.548 3.511 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)Nc1cccc(OC)c1 ZINC000429448741 976725827 /nfs/dbraw/zinc/72/58/27/976725827.db2.gz LJJQGWKZOSCWIU-HXUWFJFHSA-N 0 2 408.502 3.940 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)Nc1ccc2c(c1)OCO2 ZINC000429451388 976728019 /nfs/dbraw/zinc/72/80/19/976728019.db2.gz OZCPHCOYXBQHRZ-GOSISDBHSA-N 0 2 422.485 3.660 20 0 HHADLN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1cnc(OCc2ccccc2)cn1 ZINC000429800246 977076107 /nfs/dbraw/zinc/07/61/07/977076107.db2.gz CHMGOIJEQVPJHZ-UHFFFAOYSA-N 0 2 406.833 3.746 20 0 HHADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc(OCC(F)F)cc3)o2)cc1F ZINC000430086569 977313685 /nfs/dbraw/zinc/31/36/85/977313685.db2.gz QVEHSDGXXRFFNF-UHFFFAOYSA-N 0 2 413.377 3.629 20 0 HHADLN C[C@@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000430274084 977439468 /nfs/dbraw/zinc/43/94/68/977439468.db2.gz CPSNBWZVBKGJFR-HXUWFJFHSA-N 0 2 423.296 3.713 20 0 HHADLN CC[C@]1(CO)CCCN(C(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)C1 ZINC000430574159 977639736 /nfs/dbraw/zinc/63/97/36/977639736.db2.gz RVSBWAYUSDPNSH-DEOSSOPVSA-N 0 2 406.482 3.945 20 0 HHADLN COC(=O)c1ccc(CNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)o1 ZINC000430636938 977663007 /nfs/dbraw/zinc/66/30/07/977663007.db2.gz BJEQNLFAJWPHFX-UHFFFAOYSA-N 0 2 418.405 3.630 20 0 HHADLN Cc1cc(C)c(S(=O)(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)s1 ZINC000431181533 978080723 /nfs/dbraw/zinc/08/07/23/978080723.db2.gz SDDLFLDODZDWRW-CQSZACIVSA-N 0 2 404.517 3.562 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)cc1OC ZINC000431324186 978209553 /nfs/dbraw/zinc/20/95/53/978209553.db2.gz UQSHZGVVORNZSC-UHFFFAOYSA-N 0 2 423.491 3.779 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(Br)c2)s1)c1ccc(F)cc1 ZINC000431325172 978210331 /nfs/dbraw/zinc/21/03/31/978210331.db2.gz ZYPGKNRUOBSKQM-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN O=S(=O)(Nc1nnc(C(F)(F)F)s1)c1cc(Br)ccc1Cl ZINC000431325933 978211011 /nfs/dbraw/zinc/21/10/11/978211011.db2.gz KUYJSADXMITESK-UHFFFAOYSA-N 0 2 422.635 3.774 20 0 HHADLN COCCn1nc(C)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1C ZINC000432177861 978701886 /nfs/dbraw/zinc/70/18/86/978701886.db2.gz QXJVTWFAHWJDLO-UHFFFAOYSA-N 0 2 411.833 3.619 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)=N1 ZINC000432315211 978758099 /nfs/dbraw/zinc/75/80/99/978758099.db2.gz YMMAWDXSWTVZOH-GOSISDBHSA-N 0 2 423.444 3.774 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)sc1C1CC1 ZINC000432364939 978779301 /nfs/dbraw/zinc/77/93/01/978779301.db2.gz OIDZOTSDSXKDPL-UHFFFAOYSA-N 0 2 406.407 3.627 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)sc1C1CC1 ZINC000432369726 978781904 /nfs/dbraw/zinc/78/19/04/978781904.db2.gz WRLASEXQEIGQKS-UHFFFAOYSA-N 0 2 406.407 3.627 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(C)c(Br)c2)n(Cc2ccccn2)n1 ZINC000432375704 978785047 /nfs/dbraw/zinc/78/50/47/978785047.db2.gz WNUWZOXNPUUHBO-UHFFFAOYSA-N 0 2 421.320 3.507 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(Br)c(C)c2)n(Cc2ccccn2)n1 ZINC000432376373 978785488 /nfs/dbraw/zinc/78/54/88/978785488.db2.gz ZFXQFTAYRPYNHM-UHFFFAOYSA-N 0 2 421.320 3.507 20 0 HHADLN COCc1cccc(S(=O)(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)c1 ZINC000432534303 978869896 /nfs/dbraw/zinc/86/98/96/978869896.db2.gz DKBSIACPDROFBJ-SFHVURJKSA-N 0 2 415.540 3.954 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2ccn(CCc3ccncc3)n2)cc1C(C)C ZINC000432771936 978969429 /nfs/dbraw/zinc/96/94/29/978969429.db2.gz NTYOFDRCIUIQMA-UHFFFAOYSA-N 0 2 414.531 3.762 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(Cc3ccc(F)cc3)o2)cc1Cl ZINC000432955826 979022824 /nfs/dbraw/zinc/02/28/24/979022824.db2.gz VRWPNSOZIHVSQO-UHFFFAOYSA-N 0 2 411.842 3.571 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)cc1OC ZINC000433136670 979093257 /nfs/dbraw/zinc/09/32/57/979093257.db2.gz QQVZFOAKUNUEAU-UHFFFAOYSA-N 0 2 409.439 3.681 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)c1C ZINC000433370173 979258819 /nfs/dbraw/zinc/25/88/19/979258819.db2.gz DAJDHLSNFOUFJY-UHFFFAOYSA-N 0 2 419.528 3.656 20 0 HHADLN CN(Cc1ccc(F)c(Cl)c1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000433418397 979288328 /nfs/dbraw/zinc/28/83/28/979288328.db2.gz UOSQZQSCNIEIDJ-UHFFFAOYSA-N 0 2 403.845 3.518 20 0 HHADLN O=C(N=c1ccc(-c2ccc(Br)s2)n[nH]1)NCc1cc(Cl)ccn1 ZINC000433517888 979352158 /nfs/dbraw/zinc/35/21/58/979352158.db2.gz SJTMKIVBJXFYCS-UHFFFAOYSA-N 0 2 424.711 3.760 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCOc2c(F)cccc2C1 ZINC000433561086 979385002 /nfs/dbraw/zinc/38/50/02/979385002.db2.gz PSTKTKAHJRBEPI-UHFFFAOYSA-N 0 2 404.854 3.846 20 0 HHADLN CNC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000433600955 979416775 /nfs/dbraw/zinc/41/67/75/979416775.db2.gz VAZHLELYNRHCLF-UHFFFAOYSA-N 0 2 423.741 3.633 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cc(Br)sc2Cl)cc1 ZINC000433620453 979431134 /nfs/dbraw/zinc/43/11/34/979431134.db2.gz ZTDXEWOHLFBKCA-UHFFFAOYSA-N 0 2 410.698 3.751 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N[C@@H](c2cccc(Cl)c2)C2CCCC2)s[nH]1 ZINC000433878195 979644789 /nfs/dbraw/zinc/64/47/89/979644789.db2.gz PEHQMSYCOSWVDX-OAHLLOKOSA-N 0 2 420.966 3.897 20 0 HHADLN Cc1nc2c(s1)[C@H](N(C)C(=O)C1=NN(c3ccc(F)cc3C)CC1=O)CCC2 ZINC000434258276 980022603 /nfs/dbraw/zinc/02/26/03/980022603.db2.gz CLMIPAKZYWPTJN-MRXNPFEDSA-N 0 2 400.479 3.940 20 0 HHADLN O=c1nc(CN2C[C@@H](O)Cc3ccccc32)[nH]c2cc(-c3ccc(F)cc3)sc21 ZINC000434666978 980329520 /nfs/dbraw/zinc/32/95/20/980329520.db2.gz VRYOFNOOSFJLHU-INIZCTEOSA-N 0 2 407.470 3.714 20 0 HHADLN Cc1cc(C)c(-c2cc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)[nH]n2)cc1C ZINC000434970885 980540322 /nfs/dbraw/zinc/54/03/22/980540322.db2.gz FJKCCZZHMSNKGE-UHFFFAOYSA-N 0 2 412.515 3.505 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc(Br)c(F)c2)cnn1-c1ccccc1 ZINC000435141172 980672776 /nfs/dbraw/zinc/67/27/76/980672776.db2.gz NAAHFZGBSNZMOV-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN O=C1CCCN1c1ccccc1NS(=O)(=O)c1cc(F)ccc1Br ZINC000435141673 980673780 /nfs/dbraw/zinc/67/37/80/980673780.db2.gz AYVBSLWWODOAOL-UHFFFAOYSA-N 0 2 413.268 3.516 20 0 HHADLN COCCOc1cc(C)ccc1NS(=O)(=O)c1cccc(C)c1Br ZINC000435143921 980675199 /nfs/dbraw/zinc/67/51/99/980675199.db2.gz XSHODAUFWMCIQA-UHFFFAOYSA-N 0 2 414.321 3.892 20 0 HHADLN Cc1cnc(NS(=O)(=O)c2scc(Br)c2Br)s1 ZINC000435193345 980711231 /nfs/dbraw/zinc/71/12/31/980711231.db2.gz MUHORNNJVMOLTE-UHFFFAOYSA-N 0 2 418.157 3.839 20 0 HHADLN O=C(NC1CC1)c1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000435474360 980888067 /nfs/dbraw/zinc/88/80/67/980888067.db2.gz NDRGVGMBXXGRHJ-UHFFFAOYSA-N 0 2 403.262 3.826 20 0 HHADLN O=S(=O)(Nc1ccccc1Cn1cncn1)c1c(Cl)cc(F)cc1Cl ZINC000435475853 980889343 /nfs/dbraw/zinc/88/93/43/980889343.db2.gz YHONRHUUFCRFFM-UHFFFAOYSA-N 0 2 401.250 3.573 20 0 HHADLN CN1Cc2cc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)ccc2NC1=O ZINC000435490808 980899940 /nfs/dbraw/zinc/89/99/40/980899940.db2.gz QNRUJOQQBFMQRO-UHFFFAOYSA-N 0 2 404.250 3.911 20 0 HHADLN C[C@H]1Oc2ccc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)cc2NC1=O ZINC000435500177 980904950 /nfs/dbraw/zinc/90/49/50/980904950.db2.gz FVFOCTKGWDUWLE-SSDOTTSWSA-N 0 2 405.234 3.653 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2c(C)cccc2OC)cc1Br ZINC000435723663 981003455 /nfs/dbraw/zinc/00/34/55/981003455.db2.gz UMLCAMAHNFEZHJ-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000435728414 981005542 /nfs/dbraw/zinc/00/55/42/981005542.db2.gz LMKDQIHZXSKJBO-KGLIPLIRSA-N 0 2 402.426 3.906 20 0 HHADLN O=S(=O)(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1cnc(-c2ccccc2)nc1 ZINC000436021022 981160740 /nfs/dbraw/zinc/16/07/40/981160740.db2.gz TUYIMGKOKYYHQP-UHFFFAOYSA-N 0 2 418.482 3.607 20 0 HHADLN O=S(=O)(Nc1ccnc(Sc2ccccn2)c1)c1cnc(-c2ccccc2)nc1 ZINC000436030051 981168281 /nfs/dbraw/zinc/16/82/81/981168281.db2.gz UDUPPEJHJKGXOR-UHFFFAOYSA-N 0 2 421.507 3.886 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ccc(Br)c(Cl)c1F ZINC000436043687 981176449 /nfs/dbraw/zinc/17/64/49/981176449.db2.gz VTRNVQUUEJPQLS-UHFFFAOYSA-N 0 2 413.659 3.829 20 0 HHADLN CC(C)(C)c1nsc(Oc2ccc(NS(=O)(=O)c3cn[nH]c3)cc2Cl)n1 ZINC000436164187 981229682 /nfs/dbraw/zinc/22/96/82/981229682.db2.gz YTOXMLPROAMTAL-UHFFFAOYSA-N 0 2 413.912 3.805 20 0 HHADLN Cn1ncc(NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)c1C(F)(F)F ZINC000436187500 981241238 /nfs/dbraw/zinc/24/12/38/981241238.db2.gz PYVYZRCFDJFUCI-UHFFFAOYSA-N 0 2 411.405 3.819 20 0 HHADLN CCOc1ccncc1S(=O)(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000436475639 981393122 /nfs/dbraw/zinc/39/31/22/981393122.db2.gz HHKBSYYXARKWHL-UHFFFAOYSA-N 0 2 419.890 3.909 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)Nc1ccc(OC)nc1C ZINC000436519916 981414329 /nfs/dbraw/zinc/41/43/29/981414329.db2.gz SEIAKNWAMFADOA-GOSISDBHSA-N 0 2 423.517 3.643 20 0 HHADLN CCOc1ccc(C(=O)N2CCCCC2)cc1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000436523936 981416688 /nfs/dbraw/zinc/41/66/88/981416688.db2.gz WYPIXVGGRHWSSQ-UHFFFAOYSA-N 0 2 404.413 3.948 20 0 HHADLN O=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)c1cc(F)c(O)c(F)c1 ZINC000436526582 981419428 /nfs/dbraw/zinc/41/94/28/981419428.db2.gz AKCUAKGMSCQACG-LLVKDONJSA-N 0 2 411.246 3.689 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000436528591 981420857 /nfs/dbraw/zinc/42/08/57/981420857.db2.gz XRJQNIVFOTUBMF-OAHLLOKOSA-N 0 2 401.768 4.000 20 0 HHADLN O=C(Nc1cc(-c2ccc(Br)s2)[nH]n1)c1cc(F)c(O)c(F)c1 ZINC000436530092 981422868 /nfs/dbraw/zinc/42/28/68/981422868.db2.gz MPKWRQADHDEVEJ-UHFFFAOYSA-N 0 2 400.204 4.137 20 0 HHADLN CC[C@@H](C)CN(CC)C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O ZINC000436555052 981440077 /nfs/dbraw/zinc/44/00/77/981440077.db2.gz IEBQGVHNTYCNRE-OAHLLOKOSA-N 0 2 420.531 3.710 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc(Cc2ccccc2)ccc1O ZINC000436589193 981462712 /nfs/dbraw/zinc/46/27/12/981462712.db2.gz PBHUOBNILGADJJ-UHFFFAOYSA-N 0 2 405.479 3.966 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CC[C@@H](OCc2ccccn2)C1 ZINC000436640705 981488889 /nfs/dbraw/zinc/48/88/89/981488889.db2.gz QPWYGUZCMLZCMZ-CYBMUJFWSA-N 0 2 411.683 3.634 20 0 HHADLN CCCC[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O ZINC000436668286 981501453 /nfs/dbraw/zinc/50/14/53/981501453.db2.gz XIAFQNOHDIGBFX-HNNXBMFYSA-N 0 2 420.531 3.852 20 0 HHADLN COC(=O)c1ccc2c(c1)CN(C(=O)c1cc(Cl)cc(Br)c1O)CC2 ZINC000436710691 981524780 /nfs/dbraw/zinc/52/47/80/981524780.db2.gz XPOMRZLXCOOONW-UHFFFAOYSA-N 0 2 424.678 3.793 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc(OCc2ccccc2)ccc1O ZINC000436753421 981546652 /nfs/dbraw/zinc/54/66/52/981546652.db2.gz DUOWYEZKGSYKFV-UHFFFAOYSA-N 0 2 421.478 3.954 20 0 HHADLN Cc1ccc(NC(=O)c2c(O)cc(Cl)cc2Cl)cc1S(=O)(=O)N(C)C ZINC000436753797 981546690 /nfs/dbraw/zinc/54/66/90/981546690.db2.gz FGGGQFRZNJXZTN-UHFFFAOYSA-N 0 2 403.287 3.510 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000436762016 981550941 /nfs/dbraw/zinc/55/09/41/981550941.db2.gz AYVRZHBVOYVQNV-LLVKDONJSA-N 0 2 404.747 3.892 20 0 HHADLN CC[C@H](C)Oc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1 ZINC000436763066 981550961 /nfs/dbraw/zinc/55/09/61/981550961.db2.gz VXUJSXYLLGPOIW-HNNXBMFYSA-N 0 2 418.515 3.606 20 0 HHADLN CC(C)(C)Nc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O ZINC000436772456 981555460 /nfs/dbraw/zinc/55/54/60/981555460.db2.gz DZZGDCLPXGBJMM-UHFFFAOYSA-N 0 2 417.531 3.639 20 0 HHADLN CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)c1cc(F)cc(Cl)c1O ZINC000436792455 981564338 /nfs/dbraw/zinc/56/43/38/981564338.db2.gz WGCNRTRWIVDBME-LLVKDONJSA-N 0 2 421.774 3.715 20 0 HHADLN CC[C@@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)C[C@@H](C)S1(=O)=O ZINC000436794954 981565617 /nfs/dbraw/zinc/56/56/17/981565617.db2.gz DFMKWTPJJRCICC-CZUORRHYSA-N 0 2 407.919 3.750 20 0 HHADLN CC[C@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)C[C@H](C)S1(=O)=O ZINC000436794951 981565705 /nfs/dbraw/zinc/56/57/05/981565705.db2.gz DFMKWTPJJRCICC-BBRMVZONSA-N 0 2 407.919 3.750 20 0 HHADLN CN(Cc1ncnn1CC(F)F)C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436840739 981585147 /nfs/dbraw/zinc/58/51/47/981585147.db2.gz RDUFGDHZLOLACJ-UHFFFAOYSA-N 0 2 406.820 3.841 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000436842020 981585653 /nfs/dbraw/zinc/58/56/53/981585653.db2.gz WGTZSMORIWARSL-OAHLLOKOSA-N 0 2 401.768 4.000 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCO[C@@H](CCc2ccccc2)C1 ZINC000436850674 981589906 /nfs/dbraw/zinc/58/99/06/981589906.db2.gz IYUKMZJVVLVYHZ-HNNXBMFYSA-N 0 2 408.267 3.768 20 0 HHADLN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cc(F)cc(Br)c2O)C1 ZINC000436850658 981589948 /nfs/dbraw/zinc/58/99/48/981589948.db2.gz IXBXLNFHAIUCNU-GFCCVEGCSA-N 0 2 421.266 3.785 20 0 HHADLN CCNC(=O)N1CCc2ccc(NC(=O)c3cc(F)cc(Br)c3O)cc21 ZINC000436859256 981595268 /nfs/dbraw/zinc/59/52/68/981595268.db2.gz SGSSIILCEDQPOV-UHFFFAOYSA-N 0 2 422.254 3.638 20 0 HHADLN CN(C(=O)c1cc(F)cc(Br)c1O)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000436886009 981601504 /nfs/dbraw/zinc/60/15/04/981601504.db2.gz IZQPXRCWXXRQNR-MRXNPFEDSA-N 0 2 421.266 3.561 20 0 HHADLN O=S(=O)(NCc1ccccc1)c1ccc(O)c(-c2nc(-c3ccsc3)no2)c1 ZINC000436891521 981603129 /nfs/dbraw/zinc/60/31/29/981603129.db2.gz JADSBKIICFKUAW-UHFFFAOYSA-N 0 2 413.480 3.649 20 0 HHADLN O=C(c1cc(F)c(O)c(F)c1)N(CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000436935728 981633321 /nfs/dbraw/zinc/63/33/21/981633321.db2.gz XEKIVZFCZNJOPY-OAHLLOKOSA-N 0 2 423.765 3.932 20 0 HHADLN O=C(Nc1cc(Cl)ccc1O)C1CCN(C(=O)c2cc(F)c(O)c(F)c2)CC1 ZINC000436964877 981651901 /nfs/dbraw/zinc/65/19/01/981651901.db2.gz HUNFMVYBYRGJEX-UHFFFAOYSA-N 0 2 410.804 3.520 20 0 HHADLN CC[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O ZINC000436986286 981668239 /nfs/dbraw/zinc/66/82/39/981668239.db2.gz HAKZSLZBWSYJGW-OAHLLOKOSA-N 0 2 418.515 3.606 20 0 HHADLN Cc1cccc(-c2noc(-c3cc(S(=O)(=O)NCc4ccccc4)ccc3O)n2)c1 ZINC000436993851 981673325 /nfs/dbraw/zinc/67/33/25/981673325.db2.gz HYNPRWJOGSHCCJ-UHFFFAOYSA-N 0 2 421.478 3.896 20 0 HHADLN Cn1ccnc1[C@@H](NC(=O)c1cc(F)cc(Br)c1O)c1cccc(F)c1 ZINC000437002643 981679156 /nfs/dbraw/zinc/67/91/56/981679156.db2.gz RLXHJQULQCPCHW-HNNXBMFYSA-N 0 2 422.229 3.686 20 0 HHADLN O=C(Nc1cccc(N2C(=O)CCCC2=O)c1)c1cc(F)cc(Br)c1O ZINC000437004381 981680497 /nfs/dbraw/zinc/68/04/97/981680497.db2.gz QETDPOZMSLJRPF-UHFFFAOYSA-N 0 2 421.222 3.590 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(Cl)c2)s1)c1cc(F)ccc1F ZINC000437174636 981829696 /nfs/dbraw/zinc/82/96/96/981829696.db2.gz XSUCOVDJTWZMFU-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN O=S(=O)(Nc1nnc(CC2CCCCC2)s1)c1cncc(Br)c1 ZINC000437179571 981835256 /nfs/dbraw/zinc/83/52/56/981835256.db2.gz ABJMYJYVUVCHCW-UHFFFAOYSA-N 0 2 417.354 3.619 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)c(F)c1 ZINC000437330642 981981535 /nfs/dbraw/zinc/98/15/35/981981535.db2.gz FJJZZDCUZXBEOC-UHFFFAOYSA-N 0 2 423.466 3.771 20 0 HHADLN O=S(=O)(Nc1ccnn1-c1ccc(Cl)cc1)c1cnn(Cc2ccccc2)c1 ZINC000437334861 981986130 /nfs/dbraw/zinc/98/61/30/981986130.db2.gz STEYCOFRLORPAX-UHFFFAOYSA-N 0 2 413.890 3.571 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccnn2-c2ccccc2)cnn1-c1ccc(Cl)cc1 ZINC000437341188 981991952 /nfs/dbraw/zinc/99/19/52/981991952.db2.gz WNRJSVNEQYWWCN-UHFFFAOYSA-N 0 2 413.890 3.821 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc(/C=C/c3ccccc3)cs2)cs1 ZINC000437345861 981996077 /nfs/dbraw/zinc/99/60/77/981996077.db2.gz WWPNSTPAKJRNJY-BQYQJAHWSA-N 0 2 406.510 3.962 20 0 HHADLN CCN(CC)c1ccc(NS(=O)(=O)c2sc(C)cc2Br)cn1 ZINC000437390254 982034693 /nfs/dbraw/zinc/03/46/93/982034693.db2.gz FPDMOEWUDYIUQH-UHFFFAOYSA-N 0 2 404.355 3.861 20 0 HHADLN CC(C)(C)c1nc2ccc(S(=O)(=O)Nc3cnccc3-n3cccn3)cc2s1 ZINC000437391323 982035874 /nfs/dbraw/zinc/03/58/74/982035874.db2.gz GRDYFFLQXGCNGP-UHFFFAOYSA-N 0 2 413.528 3.975 20 0 HHADLN Cc1c(F)cccc1S(=O)(=O)Nc1cccc(-c2ccc3c(c2)OCCO3)n1 ZINC000437400665 982045091 /nfs/dbraw/zinc/04/50/91/982045091.db2.gz OGOJFHNWVGQKOL-UHFFFAOYSA-N 0 2 400.431 3.768 20 0 HHADLN CC1CCN(Cc2csc(NS(=O)(=O)c3cc(F)c(F)c(F)c3)n2)CC1 ZINC000437403673 982048043 /nfs/dbraw/zinc/04/80/43/982048043.db2.gz IBMDQIPKHSDXMS-UHFFFAOYSA-N 0 2 405.467 3.593 20 0 HHADLN CC(C)n1cc(S(=O)(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)cn1 ZINC000437410910 982053292 /nfs/dbraw/zinc/05/32/92/982053292.db2.gz UPGISFADGRZZSN-UHFFFAOYSA-N 0 2 406.411 3.773 20 0 HHADLN CCOc1ccc2nc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)sc2c1 ZINC000437424817 982064545 /nfs/dbraw/zinc/06/45/45/982064545.db2.gz XAUIDWLNPZDCHU-UHFFFAOYSA-N 0 2 418.475 3.821 20 0 HHADLN COc1ccc(-c2noc(CCC(=O)N3C[C@@H](c4ccccc4C)OC[C@@H]3C)n2)cc1 ZINC000460384673 982163004 /nfs/dbraw/zinc/16/30/04/982163004.db2.gz YDAQCQVGPSOHDU-UWJYYQICSA-N 0 2 421.497 3.975 20 0 HHADLN CCOC(=O)c1ccc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000460454018 982248008 /nfs/dbraw/zinc/24/80/08/982248008.db2.gz KJWIUFYFHFRWLI-UHFFFAOYSA-N 0 2 419.890 3.812 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2)cc1)c1ccncc1 ZINC000437952612 982483030 /nfs/dbraw/zinc/48/30/30/982483030.db2.gz YCDDYITXVOZDNB-UHFFFAOYSA-N 0 2 419.466 3.525 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1OC(F)F)c1cc2c(cc1Cl)OCCO2 ZINC000460816477 982568548 /nfs/dbraw/zinc/56/85/48/982568548.db2.gz QLYILLVMVOXONI-UHFFFAOYSA-N 0 2 409.769 3.653 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2cc3n[nH]cc3cc2C)cn1 ZINC000460821574 982573711 /nfs/dbraw/zinc/57/37/11/982573711.db2.gz AQOHAWPFXOWYOM-UHFFFAOYSA-N 0 2 417.878 3.520 20 0 HHADLN COCCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000460825759 982576978 /nfs/dbraw/zinc/57/69/78/982576978.db2.gz WSRDEQULGGBLKV-UHFFFAOYSA-N 0 2 406.287 3.828 20 0 HHADLN O=S(=O)(Nc1ccc(Oc2ccncc2)cc1)c1cnn(-c2ccccc2F)c1 ZINC000460841128 982589554 /nfs/dbraw/zinc/58/95/54/982589554.db2.gz SHYVRYVQRTVFOE-UHFFFAOYSA-N 0 2 410.430 4.000 20 0 HHADLN COC(=O)CCOc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000461342053 983028583 /nfs/dbraw/zinc/02/85/83/983028583.db2.gz MNYFPMFMHJXELN-UHFFFAOYSA-N 0 2 409.407 3.510 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(CCSC)cc2)cn1 ZINC000438765099 983056385 /nfs/dbraw/zinc/05/63/85/983056385.db2.gz MSWCDVGXMUPEDV-UHFFFAOYSA-N 0 2 403.529 3.587 20 0 HHADLN O=S(=O)(Nc1cnc(-c2cccc(O)c2)nc1)c1ccc(F)c(Br)c1 ZINC000438778259 983065447 /nfs/dbraw/zinc/06/54/47/983065447.db2.gz QQRRIIJOMYBHOQ-UHFFFAOYSA-N 0 2 424.251 3.552 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc3c4c(cccc42)CC3)cn1 ZINC000438810410 983085298 /nfs/dbraw/zinc/08/52/98/983085298.db2.gz KDHAOLASUDJOSG-UHFFFAOYSA-N 0 2 405.479 3.934 20 0 HHADLN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000438892447 983140040 /nfs/dbraw/zinc/14/00/40/983140040.db2.gz CLSWTAFGDDDFHN-PWSUYJOCSA-N 0 2 417.731 3.621 20 0 HHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)s1 ZINC000439015802 983211435 /nfs/dbraw/zinc/21/14/35/983211435.db2.gz UUDIEJUVGLUTIK-UHFFFAOYSA-N 0 2 421.588 3.548 20 0 HHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(F)cc2CS(C)(=O)=O)s1 ZINC000439040950 983223736 /nfs/dbraw/zinc/22/37/36/983223736.db2.gz HUNDGTLDBVPOEK-UHFFFAOYSA-N 0 2 405.538 3.530 20 0 HHADLN COCCn1ccc(C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)n1 ZINC000439108082 983253681 /nfs/dbraw/zinc/25/36/81/983253681.db2.gz DILLPSCXFQUELF-UHFFFAOYSA-N 0 2 421.482 3.515 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NCc3nc(-c4cccs4)no3)=N2)cc1 ZINC000439181595 983295135 /nfs/dbraw/zinc/29/51/35/983295135.db2.gz WBPQECLQMKKENQ-UHFFFAOYSA-N 0 2 409.471 3.743 20 0 HHADLN COc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c(C)c1 ZINC000439250757 983331955 /nfs/dbraw/zinc/33/19/55/983331955.db2.gz VBKUOCDFESDCFJ-UHFFFAOYSA-N 0 2 405.227 3.943 20 0 HHADLN Cn1nccc1[C@@H]1CCCCN1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000439378637 983386091 /nfs/dbraw/zinc/38/60/91/983386091.db2.gz ZVPDTBXLCMPOHW-HNNXBMFYSA-N 0 2 402.911 3.773 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cnc3ccsc3c2)c(OC[C@H]2CCCO2)c1 ZINC000439566729 983453039 /nfs/dbraw/zinc/45/30/39/983453039.db2.gz FVMOJDWEBXQYLY-CQSZACIVSA-N 0 2 404.513 3.963 20 0 HHADLN COc1ccc2c(c1)CCN(C(=O)N=c1nc(-c3ccccc3Cl)[nH]s1)CC2 ZINC000439668004 983492746 /nfs/dbraw/zinc/49/27/46/983492746.db2.gz ABYWJVDYHNLJSF-UHFFFAOYSA-N 0 2 414.918 3.922 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cnccc1-c1cccc(F)c1 ZINC000439882435 983568026 /nfs/dbraw/zinc/56/80/26/983568026.db2.gz JNNWJWPZVOZVIF-UHFFFAOYSA-N 0 2 404.419 3.685 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)c(F)cc1F ZINC000440288934 983707716 /nfs/dbraw/zinc/70/77/16/983707716.db2.gz DFASSBZRTCORQK-UHFFFAOYSA-N 0 2 403.410 3.721 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)ccc1Oc1cccnc1 ZINC000440825414 983924580 /nfs/dbraw/zinc/92/45/80/983924580.db2.gz RBVUVSMQJDTMBO-UHFFFAOYSA-N 0 2 414.487 3.531 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(ccc(F)c3C)s2)cc1Cl ZINC000441361996 984208273 /nfs/dbraw/zinc/20/82/73/984208273.db2.gz YEDJTAKTTNRNNF-UHFFFAOYSA-N 0 2 414.867 3.985 20 0 HHADLN CCOC(=O)[C@@H](C(=O)CSc1ccc(C(C)=O)cc1OC)c1nc(C)cs1 ZINC000441931587 984548130 /nfs/dbraw/zinc/54/81/30/984548130.db2.gz XELQHKKKVIVZIE-KRWDZBQOSA-N 0 2 407.513 3.671 20 0 HHADLN Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2nn(-c3ccccc3F)cc2[O-])c(C)c1 ZINC000442198937 984719927 /nfs/dbraw/zinc/71/99/27/984719927.db2.gz HKGVIJPUXGRDHQ-LJQANCHMSA-N 0 2 419.460 3.702 20 0 HHADLN Cc1ccc(-c2ncccc2NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)s1 ZINC000442213913 984733095 /nfs/dbraw/zinc/73/30/95/984733095.db2.gz AGPSAQLQEIWPGV-UHFFFAOYSA-N 0 2 401.513 3.621 20 0 HHADLN CC(C)CCn1ncc(NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c1C(C)C ZINC000442228339 984747560 /nfs/dbraw/zinc/74/75/60/984747560.db2.gz IIABICAHJJYXDA-UHFFFAOYSA-N 0 2 406.552 3.555 20 0 HHADLN Cc1cc(N2CCNC2=O)ccc1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000442237749 984758214 /nfs/dbraw/zinc/75/82/14/984758214.db2.gz AVGRRGWHEUMMGP-UHFFFAOYSA-N 0 2 406.316 3.694 20 0 HHADLN C[C@H](C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1)c1cccc(Br)c1 ZINC000461791361 984780903 /nfs/dbraw/zinc/78/09/03/984780903.db2.gz NPFRMZIZSCDITH-JTQLQIEISA-N 0 2 406.305 3.922 20 0 HHADLN CNS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000442348556 984854205 /nfs/dbraw/zinc/85/42/05/984854205.db2.gz KZVCKWIFCIZKAV-UHFFFAOYSA-N 0 2 410.561 3.642 20 0 HHADLN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(/C=C\c3ccccc3)cs2)cc1 ZINC000442625381 985101138 /nfs/dbraw/zinc/10/11/38/985101138.db2.gz WHWANNCDHWGLFZ-FLIBITNWSA-N 0 2 413.524 3.816 20 0 HHADLN O=S(=O)(N[C@H](CCc1ccccc1)C(F)(F)F)c1cnccc1C(F)(F)F ZINC000442771977 985210812 /nfs/dbraw/zinc/21/08/12/985210812.db2.gz UKHDGFACUOOUQM-CQSZACIVSA-N 0 2 412.355 3.942 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(OC3CCCC3)c2)c(OC)c1 ZINC000442829598 985233370 /nfs/dbraw/zinc/23/33/70/985233370.db2.gz VLGNRPAKGZBGRE-UHFFFAOYSA-N 0 2 405.472 3.604 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccc(Cl)cc1)c1cnccc1C(F)(F)F ZINC000442842824 985241653 /nfs/dbraw/zinc/24/16/53/985241653.db2.gz CAXGZSVRPIMYLZ-UHFFFAOYSA-N 0 2 416.812 3.799 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(Sc2nccn2C)cc1 ZINC000442843940 985242438 /nfs/dbraw/zinc/24/24/38/985242438.db2.gz QYICXSFMYSTVPZ-UHFFFAOYSA-N 0 2 423.541 3.529 20 0 HHADLN O=S(=O)(Nc1ccc(OC(F)(F)F)cc1O)c1ccccc1-c1ccno1 ZINC000442847650 985244886 /nfs/dbraw/zinc/24/48/86/985244886.db2.gz CPNUTZVQHYSEDY-UHFFFAOYSA-N 0 2 400.334 3.747 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CSc3ccccc32)c(F)c1Cl ZINC000462341163 985330055 /nfs/dbraw/zinc/33/00/55/985330055.db2.gz NWERNENTXDVVFS-LBPRGKRZSA-N 0 2 418.874 3.702 20 0 HHADLN CS[C@H]1CCC[C@H](NS(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)C1 ZINC000462347045 985336544 /nfs/dbraw/zinc/33/65/44/985336544.db2.gz PFJRTJFAWXOJCS-UWVGGRQHSA-N 0 2 412.911 3.529 20 0 HHADLN Cc1ccc2oc(-c3nnc(NS(=O)(=O)c4ccc5c(c4)CCCO5)o3)cc2c1 ZINC000443152708 985411721 /nfs/dbraw/zinc/41/17/21/985411721.db2.gz CAYSUDYVBMXUCB-UHFFFAOYSA-N 0 2 411.439 3.917 20 0 HHADLN O=S(=O)(Nc1ccc2c(c1)nc1n2CCCCC1)c1cnccc1C(F)(F)F ZINC000443163620 985419127 /nfs/dbraw/zinc/41/91/27/985419127.db2.gz ZZLALJQUBBYKEJ-UHFFFAOYSA-N 0 2 410.421 3.977 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)Cc2ccccc2C)c(F)c1Cl ZINC000462513828 985464601 /nfs/dbraw/zinc/46/46/01/985464601.db2.gz TWIVMEWQHOOKOS-LLVKDONJSA-N 0 2 416.877 3.795 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)cc1 ZINC000443406177 985561106 /nfs/dbraw/zinc/56/11/06/985561106.db2.gz DJKJVJHKVAVDBQ-UHFFFAOYSA-N 0 2 424.526 3.974 20 0 HHADLN O=C(CCNc1nc(-c2ccccc2)ns1)Nc1ccc(Br)cc1 ZINC000462792546 985726042 /nfs/dbraw/zinc/72/60/42/985726042.db2.gz WFWZAYOKADJDHU-UHFFFAOYSA-N 0 2 403.305 3.830 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@@H]2CC(=O)c2cccs2)=N1 ZINC000443675272 985884567 /nfs/dbraw/zinc/88/45/67/985884567.db2.gz MTEIHCLMRRHKQK-OAHLLOKOSA-N 0 2 413.474 3.965 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000468357197 986054449 /nfs/dbraw/zinc/05/44/49/986054449.db2.gz JDXLDXAIZSDNIH-LBPRGKRZSA-N 0 2 415.895 3.572 20 0 HHADLN CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000463111290 986073531 /nfs/dbraw/zinc/07/35/31/986073531.db2.gz WRDPUCXLMZVSDI-LBPRGKRZSA-N 0 2 403.287 3.782 20 0 HHADLN C[C@@H]1C[C@H](C)CCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000443928485 986135977 /nfs/dbraw/zinc/13/59/77/986135977.db2.gz MKBIHPXPXBOASV-ZIAGYGMSSA-N 0 2 408.549 3.844 20 0 HHADLN Cc1nn(C)c2nc(C(=O)Nc3nc(-c4cc(Cl)ccc4Cl)n[nH]3)ccc12 ZINC000463164616 986136151 /nfs/dbraw/zinc/13/61/51/986136151.db2.gz UODWISHTOGZVPW-UHFFFAOYSA-N 0 2 402.245 3.621 20 0 HHADLN O=C(Cc1cc(F)cc2c1OCOC2)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463175190 986147505 /nfs/dbraw/zinc/14/75/05/986147505.db2.gz WKOBDSRNHNIQNO-UHFFFAOYSA-N 0 2 423.231 3.965 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3ccc(F)cc3Br)o2)c(C)o1 ZINC000444054155 986254007 /nfs/dbraw/zinc/25/40/07/986254007.db2.gz DAZIKXUKENGHJO-UHFFFAOYSA-N 0 2 416.228 3.649 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000468550696 986257394 /nfs/dbraw/zinc/25/73/94/986257394.db2.gz ATODFMZVXMSXBS-KRWDZBQOSA-N 0 2 422.572 3.744 20 0 HHADLN O=S(=O)(Nc1ccc2nnc(C3CCC3)n2c1)c1ccc(C(F)(F)F)cc1F ZINC000444057341 986257809 /nfs/dbraw/zinc/25/78/09/986257809.db2.gz LJZHJPQMCWFFDL-UHFFFAOYSA-N 0 2 414.384 3.956 20 0 HHADLN CN(C)c1nc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)cc2o1 ZINC000444058837 986260226 /nfs/dbraw/zinc/26/02/26/986260226.db2.gz ZZLBNJGGLMNLLW-UHFFFAOYSA-N 0 2 403.357 3.853 20 0 HHADLN CC(C)c1nnc(NS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)o1 ZINC000444059468 986260663 /nfs/dbraw/zinc/26/06/63/986260663.db2.gz UMBCKNUXZXLYHQ-UHFFFAOYSA-N 0 2 414.203 3.775 20 0 HHADLN COCCN(C(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O)[C@H]1CCCSC1 ZINC000468597183 986307876 /nfs/dbraw/zinc/30/78/76/986307876.db2.gz JAOUFXDVPCAIHI-SFHVURJKSA-N 0 2 403.548 3.686 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3)o2)c(Cl)c1Cl ZINC000463372120 986337589 /nfs/dbraw/zinc/33/75/89/986337589.db2.gz ZRPDOOBHKPXOLU-UHFFFAOYSA-N 0 2 400.243 3.853 20 0 HHADLN COC(=O)[C@@H](NS(=O)(=O)c1ccccc1SC)c1ccc(Cl)cc1Cl ZINC000444211173 986393100 /nfs/dbraw/zinc/39/31/00/986393100.db2.gz JIKQDTNYNUIQOC-HNNXBMFYSA-N 0 2 420.339 3.908 20 0 HHADLN COc1ccc(-c2nsc(NS(=O)(=O)c3ccc(C)cc3Cl)n2)cc1F ZINC000444213883 986396250 /nfs/dbraw/zinc/39/62/50/986396250.db2.gz QEBNKCJWHULGQJ-UHFFFAOYSA-N 0 2 413.883 3.537 20 0 HHADLN COc1ccc(Cl)cc1CN(C)C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000468732246 986445148 /nfs/dbraw/zinc/44/51/48/986445148.db2.gz CMTJYROORZTXPU-UHFFFAOYSA-N 0 2 403.841 3.960 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)=N1 ZINC000468748189 986461307 /nfs/dbraw/zinc/46/13/07/986461307.db2.gz NVGNGBMIEAYYJW-MLNJSSBLSA-N 0 2 415.490 3.596 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)=N1 ZINC000468750031 986464117 /nfs/dbraw/zinc/46/41/17/986464117.db2.gz URHSSEDTZOGWQT-JLTOFOAXSA-N 0 2 413.424 3.767 20 0 HHADLN Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@H]1c1cc(F)cc(Br)c1)c2=O ZINC000468794731 986504368 /nfs/dbraw/zinc/50/43/68/986504368.db2.gz CGGAYUZTDKJIPX-HNNXBMFYSA-N 0 2 419.254 3.553 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N1CCC[C@@H]2CCC[C@@H]21 ZINC000444396624 986575014 /nfs/dbraw/zinc/57/50/14/986575014.db2.gz NQFHIGBUVRSCOM-BBRMVZONSA-N 0 2 406.533 3.740 20 0 HHADLN COc1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F)NC(=O)CC2 ZINC000463788379 986780014 /nfs/dbraw/zinc/78/00/14/986780014.db2.gz GFFUAHWMXANZFT-UHFFFAOYSA-N 0 2 418.368 3.539 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C[C@H]3CC[C@H](C)C3)cc2)nc(C)n1 ZINC000469176542 986901739 /nfs/dbraw/zinc/90/17/39/986901739.db2.gz KYKQMESAONQRFU-BBRMVZONSA-N 0 2 402.520 3.659 20 0 HHADLN COc1cccc(C(=O)c2ccc(C(=O)N=c3nc(-c4cccnc4)[nH]s3)cc2)c1 ZINC000444732099 986903802 /nfs/dbraw/zinc/90/38/02/986903802.db2.gz LHJRUBDGHPUYTQ-UHFFFAOYSA-N 0 2 416.462 3.514 20 0 HHADLN COCCCN(Cc1ccncc1)C(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O ZINC000469652054 987310265 /nfs/dbraw/zinc/31/02/65/987310265.db2.gz FRBPWXQCZHVBRL-UHFFFAOYSA-N 0 2 408.502 3.775 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C[C@H]3CCC[C@@H]3C)cc2)nc(C)n1 ZINC000469838269 987473375 /nfs/dbraw/zinc/47/33/75/987473375.db2.gz JWKOVEVESSFMNB-XJKSGUPXSA-N 0 2 402.520 3.659 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)cc1Br ZINC000469971810 987589266 /nfs/dbraw/zinc/58/92/66/987589266.db2.gz IASDJCWSBKZRJU-UHFFFAOYSA-N 0 2 403.323 3.983 20 0 HHADLN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cccc(OCCF)c1 ZINC000470439371 988411791 /nfs/dbraw/zinc/41/17/91/988411791.db2.gz VJVUZNIRGXUMID-UHFFFAOYSA-N 0 2 421.368 3.641 20 0 HHADLN Cc1ccccc1-c1cc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)n(C)n1 ZINC000470795164 988853743 /nfs/dbraw/zinc/85/37/43/988853743.db2.gz WUXZUWQNPQUQFM-UHFFFAOYSA-N 0 2 411.462 3.521 20 0 HHADLN Cn1cc(-c2nc3ccccn3c2NS(=O)(=O)c2c(Cl)cccc2Cl)cn1 ZINC000464887865 989154634 /nfs/dbraw/zinc/15/46/34/989154634.db2.gz CVEJNCUBZXQESZ-UHFFFAOYSA-N 0 2 422.297 3.842 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2csc(C(=O)OC)c2)s1)c1ccccc1 ZINC000471507278 989705551 /nfs/dbraw/zinc/70/55/51/989705551.db2.gz KFGXMALJTRRNAN-CYBMUJFWSA-N 0 2 423.541 3.729 20 0 HHADLN CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(Br)c(OC)c2)[nH]n1 ZINC000471508276 989706397 /nfs/dbraw/zinc/70/63/97/989706397.db2.gz QZTDIPWDTATHCF-SNVBAGLBSA-N 0 2 402.314 3.885 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3ccc(C)cc3Cl)s2)c1 ZINC000471522007 989721625 /nfs/dbraw/zinc/72/16/25/989721625.db2.gz LLHUZSODIBPDHB-UHFFFAOYSA-N 0 2 409.920 3.900 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)cc1-n1cccn1)c1cnc(-c2ccccc2)nc1 ZINC000471570758 989772356 /nfs/dbraw/zinc/77/23/56/989772356.db2.gz OTHIZOSHPJRREM-UHFFFAOYSA-N 0 2 411.874 3.784 20 0 HHADLN NC(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)c1 ZINC000471574867 989776634 /nfs/dbraw/zinc/77/66/34/989776634.db2.gz PWWVKBFPJUUJRI-UHFFFAOYSA-N 0 2 422.663 3.533 20 0 HHADLN O=S(=O)(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1c[nH]c2cccc(F)c21 ZINC000471905007 990074411 /nfs/dbraw/zinc/07/44/11/990074411.db2.gz JKPXBURZYRIVDJ-UHFFFAOYSA-N 0 2 421.347 3.782 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(C(=O)OC)cc(F)c2C)c1C1CC1 ZINC000471952716 990116678 /nfs/dbraw/zinc/11/66/78/990116678.db2.gz HUZFCRSCMBRDLY-LLVKDONJSA-N 0 2 409.483 3.766 20 0 HHADLN CN(c1ccccc1NS(=O)(=O)c1c(Cl)ccc2ccccc21)S(C)(=O)=O ZINC000466288597 991537234 /nfs/dbraw/zinc/53/72/34/991537234.db2.gz NUROAIPABMTFGQ-UHFFFAOYSA-N 0 2 424.931 3.690 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(-c3ccc(C)cc3C)c2)cc1Cl ZINC000466427853 991717280 /nfs/dbraw/zinc/71/72/80/991717280.db2.gz FMRGVIQORJJKEO-UHFFFAOYSA-N 0 2 418.906 3.902 20 0 HHADLN CCc1c(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)cnn1-c1ccccc1 ZINC000466479465 991771196 /nfs/dbraw/zinc/77/11/96/991771196.db2.gz WVTODBFLAKZDMW-UHFFFAOYSA-N 0 2 411.462 3.560 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)c1 ZINC000466956942 992266472 /nfs/dbraw/zinc/26/64/72/992266472.db2.gz CSIKRBZJSOYANE-FQEVSTJZSA-N 0 2 413.499 3.627 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1cccc(C2CCC2)c1 ZINC000467495177 992780746 /nfs/dbraw/zinc/78/07/46/992780746.db2.gz MRCQDJMEYIPWBD-UHFFFAOYSA-N 0 2 414.512 3.859 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCCc2cccc(C)n2)cc1 ZINC000467904041 993135415 /nfs/dbraw/zinc/13/54/15/993135415.db2.gz MXMRFGWAZQPHMI-UHFFFAOYSA-N 0 2 415.540 3.533 20 0 HHADLN COc1ccccc1[C@@H](CNC(=O)N=c1nc(-c2ccccc2)[nH]s1)OC(C)C ZINC000472124449 993177023 /nfs/dbraw/zinc/17/70/23/993177023.db2.gz PJMNWIIFBLMJLR-GOSISDBHSA-N 0 2 412.515 3.923 20 0 HHADLN COc1ccc2cc(CNC(=O)NCc3nnc(COc4ccccc4)[nH]3)ccc2c1 ZINC000472124702 993177071 /nfs/dbraw/zinc/17/70/71/993177071.db2.gz SJPYORMGQGAPJF-UHFFFAOYSA-N 0 2 417.469 3.545 20 0 HHADLN CC(C)Cc1cc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)[nH]n1 ZINC000472428858 993428906 /nfs/dbraw/zinc/42/89/06/993428906.db2.gz FLVVIEWXMUYVAG-UHFFFAOYSA-N 0 2 423.432 3.826 20 0 HHADLN CSCCCCCNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000481021882 993865066 /nfs/dbraw/zinc/86/50/66/993865066.db2.gz JFIUYSKIPKPMEV-UHFFFAOYSA-N 0 2 414.578 3.599 20 0 HHADLN O=S(=O)(N[C@H]1CCCc2cn[nH]c21)c1ccc(Br)cc1C(F)(F)F ZINC000481074940 993914399 /nfs/dbraw/zinc/91/43/99/993914399.db2.gz OYBUQGBGKFENSS-NSHDSACASA-N 0 2 424.242 3.547 20 0 HHADLN COc1cc(NC(C)=O)ccc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473479798 994323540 /nfs/dbraw/zinc/32/35/40/994323540.db2.gz LEDCFDOVQMDAIG-UHFFFAOYSA-N 0 2 407.250 3.900 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccnn3[C@@H](C)C3CC3)cc2c1C ZINC000473478939 994323586 /nfs/dbraw/zinc/32/35/86/994323586.db2.gz BEXFGGZVUPDLII-ZDUSSCGKSA-N 0 2 417.487 3.886 20 0 HHADLN COC(=O)CCCOc1ccc(NS(=O)(=O)c2cc(C)c(Cl)s2)cc1 ZINC000473489180 994334038 /nfs/dbraw/zinc/33/40/38/994334038.db2.gz PRXYJQXEMFCECO-UHFFFAOYSA-N 0 2 403.909 3.843 20 0 HHADLN O=S(=O)(Nc1ccc(Cc2nn[nH]n2)cc1)c1c(Cl)cc(Cl)cc1Cl ZINC000481609378 994463344 /nfs/dbraw/zinc/46/33/44/994463344.db2.gz NPFMIAAKFDYUGE-UHFFFAOYSA-N 0 2 418.693 3.552 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(C)c(-c3ncco3)c2)cn1 ZINC000481613780 994470146 /nfs/dbraw/zinc/47/01/46/994470146.db2.gz UUVQQHLJEGMOFM-UHFFFAOYSA-N 0 2 410.455 3.645 20 0 HHADLN Cc1cc(C)n(-c2ccccc2NC(=O)NCc2nnc(COc3ccccc3)[nH]2)n1 ZINC000473601760 994481832 /nfs/dbraw/zinc/48/18/32/994481832.db2.gz VCYNDPOYFIINHR-UHFFFAOYSA-N 0 2 417.473 3.508 20 0 HHADLN CC[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481664619 994525422 /nfs/dbraw/zinc/52/54/22/994525422.db2.gz GXCHDJJYAHTCRN-IBGZPJMESA-N 0 2 418.950 3.675 20 0 HHADLN CC(C)n1ncc2ccc(NC(=O)NCc3nnc(COc4ccccc4)[nH]3)cc21 ZINC000473654284 994540655 /nfs/dbraw/zinc/54/06/55/994540655.db2.gz MZYJCKAQBZTGDL-UHFFFAOYSA-N 0 2 405.462 3.636 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(-n2cccn2)c(Cl)c1 ZINC000473669824 994559117 /nfs/dbraw/zinc/55/91/17/994559117.db2.gz GFHQDELUQCGWSA-UHFFFAOYSA-N 0 2 423.864 3.545 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000473744072 994646663 /nfs/dbraw/zinc/64/66/63/994646663.db2.gz YLRXKNFQNFQYDS-UHFFFAOYSA-N 0 2 419.466 3.525 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)cc1Cl ZINC000473758927 994670513 /nfs/dbraw/zinc/67/05/13/994670513.db2.gz DICXWWQOWYWJJQ-UHFFFAOYSA-N 0 2 417.793 3.714 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccc2)c(Br)c1 ZINC000481829438 994680359 /nfs/dbraw/zinc/68/03/59/994680359.db2.gz GHDUIMBYZYTZIQ-UHFFFAOYSA-N 0 2 422.304 3.503 20 0 HHADLN Cc1cc2c(cc1S(=O)(=O)Nc1nc3c(cc(F)c(F)c3F)s1)OCO2 ZINC000481833203 994683989 /nfs/dbraw/zinc/68/39/89/994683989.db2.gz RYNLOLVEKOZOHN-UHFFFAOYSA-N 0 2 402.375 3.552 20 0 HHADLN CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2nc3c(cccc3COC)s2)c1 ZINC000473769879 994688912 /nfs/dbraw/zinc/68/89/12/994688912.db2.gz PQMKVXYMAAXLAP-UHFFFAOYSA-N 0 2 420.512 3.729 20 0 HHADLN CSc1c(F)cc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1F ZINC000473771700 994691862 /nfs/dbraw/zinc/69/18/62/994691862.db2.gz QLASHIWRYFRJBK-UHFFFAOYSA-N 0 2 405.430 3.706 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccnn3CC(C)C)cc2c1C ZINC000473773697 994694778 /nfs/dbraw/zinc/69/47/78/994694778.db2.gz OVKIWNAYMFMVDQ-UHFFFAOYSA-N 0 2 405.476 3.571 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)o2)cc1 ZINC000481847513 994703064 /nfs/dbraw/zinc/70/30/64/994703064.db2.gz ZJJQWBKBIGHTRT-UHFFFAOYSA-N 0 2 415.471 3.650 20 0 HHADLN COCc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cc1 ZINC000481857743 994714808 /nfs/dbraw/zinc/71/48/08/994714808.db2.gz JNPFJUVCHIRXJY-UHFFFAOYSA-N 0 2 413.883 3.945 20 0 HHADLN COC(=O)c1ccc(CS(=O)(=O)Nc2cc(-c3ccc4ncccc4c3)on2)cc1 ZINC000481858649 994716632 /nfs/dbraw/zinc/71/66/32/994716632.db2.gz JVKMDCULBZWNHI-UHFFFAOYSA-N 0 2 423.450 3.618 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3cccs3)o2)ccc1Br ZINC000481862519 994722377 /nfs/dbraw/zinc/72/23/77/994722377.db2.gz QFBQIFWCWNCKSS-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3)o2)cc1Br ZINC000481876656 994741320 /nfs/dbraw/zinc/74/13/20/994741320.db2.gz UXPUDUJPSZQUES-UHFFFAOYSA-N 0 2 408.277 3.532 20 0 HHADLN Cc1ccsc1-c1nc(=NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)s[n-]1 ZINC000473818329 994745935 /nfs/dbraw/zinc/74/59/35/994745935.db2.gz KVBFUJTVCRMDEA-ZDUSSCGKSA-N 0 2 419.601 3.969 20 0 HHADLN Cc1ccc2cccnc2c1S(=O)(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000481904115 994776076 /nfs/dbraw/zinc/77/60/76/994776076.db2.gz YPZDZPYUUCHZEU-UHFFFAOYSA-N 0 2 413.890 3.637 20 0 HHADLN CCCCCn1nc(C)cc1NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000481922745 994795355 /nfs/dbraw/zinc/79/53/55/994795355.db2.gz NPWONUIULMIHFB-UHFFFAOYSA-N 0 2 406.430 3.519 20 0 HHADLN CCOC(=O)c1oc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)nc1C ZINC000481939577 994814999 /nfs/dbraw/zinc/81/49/99/994814999.db2.gz BPJODKBMCBDGBV-UHFFFAOYSA-N 0 2 412.773 3.633 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(CC(C)(C)C)n[nH]2)c2ccccc12 ZINC000481942174 994818429 /nfs/dbraw/zinc/81/84/29/994818429.db2.gz JMNLPLIABIRRGB-UHFFFAOYSA-N 0 2 400.504 3.911 20 0 HHADLN CC(C)Oc1ccc([C@@H](C)NC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000473886545 994836344 /nfs/dbraw/zinc/83/63/44/994836344.db2.gz PTVORTOMHOPBOI-MRXNPFEDSA-N 0 2 409.490 3.731 20 0 HHADLN NC(=O)c1ccccc1Oc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000481954546 994836676 /nfs/dbraw/zinc/83/66/76/994836676.db2.gz BLWJSOCHNOGJEP-UHFFFAOYSA-N 0 2 422.384 3.796 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NCC1(Sc2ccccc2)CC1 ZINC000473911701 994876081 /nfs/dbraw/zinc/87/60/81/994876081.db2.gz KLWQRUJKBWSADI-UHFFFAOYSA-N 0 2 409.515 3.508 20 0 HHADLN CC(C)(C)c1cccc(OCCNC(=O)NCc2nnc(COc3ccccc3)[nH]2)c1 ZINC000473919927 994889047 /nfs/dbraw/zinc/88/90/47/994889047.db2.gz PWFUWVLGBDIMTP-UHFFFAOYSA-N 0 2 423.517 3.559 20 0 HHADLN CC(C)(Cc1ccccc1Cl)NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473943916 994919767 /nfs/dbraw/zinc/91/97/67/994919767.db2.gz YTOQXTKUKVDBDT-UHFFFAOYSA-N 0 2 413.909 3.858 20 0 HHADLN C[C@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ncc(-c2ccccc2)o1 ZINC000474035858 995025670 /nfs/dbraw/zinc/02/56/70/995025670.db2.gz QTJOOBFPHLRGCV-HNNXBMFYSA-N 0 2 418.457 3.599 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000474042127 995032341 /nfs/dbraw/zinc/03/23/41/995032341.db2.gz WXJZEANGIXQLBH-ICSRJNTNSA-N 0 2 405.502 3.594 20 0 HHADLN CCN(C(=O)NCc1nnc(COc2ccccc2)[nH]1)[C@H](C)c1cccc(OC)c1 ZINC000474071131 995057494 /nfs/dbraw/zinc/05/74/94/995057494.db2.gz CVVVHBDBFNQYIC-MRXNPFEDSA-N 0 2 409.490 3.685 20 0 HHADLN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2nnc(COc3ccccc3)[nH]2)o1 ZINC000474079022 995063763 /nfs/dbraw/zinc/06/37/63/995063763.db2.gz CNMUXLCMOCPVFE-YJBOKZPZSA-N 0 2 409.490 3.968 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCC(CCc2ccccc2)CC1 ZINC000474081648 995065501 /nfs/dbraw/zinc/06/55/01/995065501.db2.gz KAZVXAXZXNJXPS-UHFFFAOYSA-N 0 2 419.529 3.938 20 0 HHADLN COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474087077 995068816 /nfs/dbraw/zinc/06/88/16/995068816.db2.gz FBEJANWKALNTMQ-FQEVSTJZSA-N 0 2 421.501 3.611 20 0 HHADLN COc1cccc([C@H]2C[C@H](C)CN2C(=O)NCc2nnc(COc3ccccc3)[nH]2)c1 ZINC000474086248 995069004 /nfs/dbraw/zinc/06/90/04/995069004.db2.gz CFWSQNFRFUWDTC-OXJNMPFZSA-N 0 2 421.501 3.685 20 0 HHADLN C[C@@H]1CN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)CC[C@@H]1c1ccccc1 ZINC000474091426 995074286 /nfs/dbraw/zinc/07/42/86/995074286.db2.gz WZTQFAPVMHGJKM-XLIONFOSSA-N 0 2 405.502 3.719 20 0 HHADLN CN(Cc1ccccc1C(F)(F)F)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474094485 995076448 /nfs/dbraw/zinc/07/64/48/995076448.db2.gz JJTRGWYPVFOGIV-UHFFFAOYSA-N 0 2 419.407 3.744 20 0 HHADLN Cc1ccc(C(C)(C)CN(C)C(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000474095806 995078164 /nfs/dbraw/zinc/07/81/64/995078164.db2.gz LCNBAEWBQQXRTD-UHFFFAOYSA-N 0 2 407.518 3.811 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000474357827 995338584 /nfs/dbraw/zinc/33/85/84/995338584.db2.gz VQTPASIBKVYDLQ-UHFFFAOYSA-N 0 2 408.527 3.966 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(C3CCCC3)n[nH]2)cc1Br ZINC000474419249 995382972 /nfs/dbraw/zinc/38/29/72/995382972.db2.gz BHROECKAYJZHLW-UHFFFAOYSA-N 0 2 400.298 3.639 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccn2)s1)c1ccc(F)cc1C(F)(F)F ZINC000474421737 995385165 /nfs/dbraw/zinc/38/51/65/995385165.db2.gz MIRMRZWRZZFCQQ-UHFFFAOYSA-N 0 2 404.370 3.559 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccn2)s1)c1ccc(OCc2ccccc2)cc1 ZINC000474426238 995388921 /nfs/dbraw/zinc/38/89/21/995388921.db2.gz LVJAJRRLTKKBTR-UHFFFAOYSA-N 0 2 424.507 3.980 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cc(C3CCCC3)n[nH]2)ccc1Br ZINC000474431824 995394857 /nfs/dbraw/zinc/39/48/57/995394857.db2.gz LJQXMHXGHNZWJQ-UHFFFAOYSA-N 0 2 400.298 3.639 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3cc(C4CCCCC4)n[nH]3)cc2F)c1 ZINC000474435692 995398079 /nfs/dbraw/zinc/39/80/79/995398079.db2.gz WDACFEREELBXAA-UHFFFAOYSA-N 0 2 403.483 3.891 20 0 HHADLN C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474573032 995534909 /nfs/dbraw/zinc/53/49/09/995534909.db2.gz DSACBXXEEZPYIU-INIZCTEOSA-N 0 2 408.502 3.765 20 0 HHADLN C[C@@H](CC(=O)NCc1nnc(COc2ccccc2)[nH]1)C(=O)c1ccc(Cl)cc1 ZINC000474578719 995539751 /nfs/dbraw/zinc/53/97/51/995539751.db2.gz MAXHVZMAUKNPBV-AWEZNQCLSA-N 0 2 412.877 3.562 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cc2c(s1)-c1ccccc1OC2 ZINC000474579497 995540256 /nfs/dbraw/zinc/54/02/56/995540256.db2.gz REDNSQGPDXMDLX-UHFFFAOYSA-N 0 2 418.478 3.935 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000474586516 995545908 /nfs/dbraw/zinc/54/59/08/995545908.db2.gz XVZVCZKBIRCXHU-UHFFFAOYSA-N 0 2 410.783 3.986 20 0 HHADLN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474586952 995546072 /nfs/dbraw/zinc/54/60/72/995546072.db2.gz ZORNJNUZOISHLL-LBPRGKRZSA-N 0 2 421.284 3.774 20 0 HHADLN Cc1cc(OCCCC(=O)NCc2nnc(COc3ccccc3)[nH]2)ccc1Cl ZINC000474587876 995546688 /nfs/dbraw/zinc/54/66/88/995546688.db2.gz VWIQOGOFMYYABE-UHFFFAOYSA-N 0 2 414.893 3.821 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccc(Cl)c(Br)c1 ZINC000474588473 995547760 /nfs/dbraw/zinc/54/77/60/995547760.db2.gz ZVJRESAZHIJNPT-UHFFFAOYSA-N 0 2 421.682 3.730 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cc(-c2ccccc2Cl)on1 ZINC000474592876 995551833 /nfs/dbraw/zinc/55/18/33/995551833.db2.gz PQQIQDHKKXSYEC-UHFFFAOYSA-N 0 2 409.833 3.622 20 0 HHADLN C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000475030351 995881300 /nfs/dbraw/zinc/88/13/00/995881300.db2.gz HMDFPZXGWRIODH-QWVSSGJLSA-N 0 2 400.529 3.589 20 0 HHADLN O=C(NCc1ccc(-c2ccc(Cl)cc2)cc1F)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000483597666 996276102 /nfs/dbraw/zinc/27/61/02/996276102.db2.gz LLNQOJOMCHXXMX-UHFFFAOYSA-N 0 2 424.819 3.826 20 0 HHADLN CCO[C@@H](C)c1nc(CN(C)C(=O)N=c2nc(-c3ccccc3)[nH]s2)cs1 ZINC000475666175 996287160 /nfs/dbraw/zinc/28/71/60/996287160.db2.gz HOFRBAJUMPHNHD-LBPRGKRZSA-N 0 2 403.533 3.845 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccccc1-c1csc(C)n1 ZINC000475837006 996405236 /nfs/dbraw/zinc/40/52/36/996405236.db2.gz UVYSPUVIUUTTMB-UHFFFAOYSA-N 0 2 406.485 3.861 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2c(-c3ccccn3)nc3ccccn32)cc1F ZINC000476086735 996586547 /nfs/dbraw/zinc/58/65/47/996586547.db2.gz XWTPLVLJHQRAKR-UHFFFAOYSA-N 0 2 400.410 3.784 20 0 HHADLN CC(C)n1ncc2c1C[C@@H](NC(=O)N=c1nc(-c3ccccc3Cl)[nH]s1)CC2 ZINC000484348815 996720057 /nfs/dbraw/zinc/72/00/57/996720057.db2.gz YDCSROOKWHYZHQ-ZDUSSCGKSA-N 0 2 416.938 3.737 20 0 HHADLN CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000484356462 996725671 /nfs/dbraw/zinc/72/56/71/996725671.db2.gz YVWCGFJZZUNMOX-CYBMUJFWSA-N 0 2 408.911 3.618 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)CCc3ncc(-c4ccccc4)o3)s[nH]2)c1 ZINC000476290839 996735212 /nfs/dbraw/zinc/73/52/12/996735212.db2.gz LJHXRLBAYONVKI-UHFFFAOYSA-N 0 2 406.467 3.862 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)CCCc3nnc(-c4ccccc4)o3)s[nH]2)c1 ZINC000476292709 996735687 /nfs/dbraw/zinc/73/56/87/996735687.db2.gz NPURMXLLHKQPSU-UHFFFAOYSA-N 0 2 421.482 3.647 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3csc(Cc4ccccc4)n3)s[nH]2)c1 ZINC000476320768 996754208 /nfs/dbraw/zinc/75/42/08/996754208.db2.gz WLASFLGROUUWSV-UHFFFAOYSA-N 0 2 408.508 3.935 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(C4CC4)nn3-c3ccccc3)s[nH]2)c1 ZINC000476321454 996754671 /nfs/dbraw/zinc/75/46/71/996754671.db2.gz HZLUVNLBHJOBJF-UHFFFAOYSA-N 0 2 417.494 3.951 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(Br)c(F)c3)s[nH]2)c1 ZINC000476354250 996774188 /nfs/dbraw/zinc/77/41/88/996774188.db2.gz SLOAERAXHIUFLN-UHFFFAOYSA-N 0 2 408.252 3.790 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000484482880 996803580 /nfs/dbraw/zinc/80/35/80/996803580.db2.gz AVDZARXGUIGFDS-UHFFFAOYSA-N 0 2 413.451 3.660 20 0 HHADLN O=C(N[C@@H]1CCc2cc(F)ccc21)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476405209 996863989 /nfs/dbraw/zinc/86/39/89/996863989.db2.gz ASPGNNSSKLVDJZ-QGZVFWFLSA-N 0 2 417.487 3.500 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000484544185 996876291 /nfs/dbraw/zinc/87/62/91/996876291.db2.gz RGARNBOXCSXHHB-UHFFFAOYSA-N 0 2 411.405 3.838 20 0 HHADLN C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476424190 996891455 /nfs/dbraw/zinc/89/14/55/996891455.db2.gz QSJUQIXJZMVCOJ-ACJLOTCBSA-N 0 2 413.524 3.607 20 0 HHADLN C[C@@H]1c2ccccc2CCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476546848 997039539 /nfs/dbraw/zinc/03/95/39/997039539.db2.gz MDGWTDDKJIVOIN-CQSZACIVSA-N 0 2 413.524 3.703 20 0 HHADLN Cc1nc(-c2ccc(NC(=O)C(=O)N3CC=C(c4cccc(Cl)c4)CC3)cc2)n[nH]1 ZINC000484710134 997048989 /nfs/dbraw/zinc/04/89/89/997048989.db2.gz GDVUYOAYHAPHDN-UHFFFAOYSA-N 0 2 421.888 3.688 20 0 HHADLN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCCc4cn[nH]c43)c2)c1 ZINC000484729372 997071568 /nfs/dbraw/zinc/07/15/68/997071568.db2.gz QTZBRIGITRMUCE-HXUWFJFHSA-N 0 2 424.526 3.635 20 0 HHADLN CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476697711 997237359 /nfs/dbraw/zinc/23/73/59/997237359.db2.gz VSXKPEFDLUCAPD-RHSMWYFYSA-N 0 2 407.561 3.985 20 0 HHADLN O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476697394 997237663 /nfs/dbraw/zinc/23/76/63/997237663.db2.gz XFFYAGZEMAQLAI-SJORKVTESA-N 0 2 405.545 3.643 20 0 HHADLN O=C(Nc1ccc(Cl)cc1F)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476725389 997273192 /nfs/dbraw/zinc/27/31/92/997273192.db2.gz YXRXQWLKTDAUJY-UHFFFAOYSA-N 0 2 411.867 3.989 20 0 HHADLN O=C(Nc1cc(F)c(F)cc1F)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476728133 997277939 /nfs/dbraw/zinc/27/79/39/997277939.db2.gz FIGBWKQGHCEMPN-UHFFFAOYSA-N 0 2 413.402 3.614 20 0 HHADLN Cc1ccc(C[C@@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)s1 ZINC000476731030 997281653 /nfs/dbraw/zinc/28/16/53/997281653.db2.gz LVWYEYFCDSWITA-GFCCVEGCSA-N 0 2 421.569 3.675 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N1CCc2ccccc2C1 ZINC000485006947 997371247 /nfs/dbraw/zinc/37/12/47/997371247.db2.gz FVXNFFKJSLJVLV-UHFFFAOYSA-N 0 2 414.512 3.534 20 0 HHADLN Cc1ccc(-c2nsc(NS(=O)(=O)c3ccc(OCC(C)C)cc3)n2)s1 ZINC000476873133 997449993 /nfs/dbraw/zinc/44/99/93/997449993.db2.gz NDYZRHMOHJTUOL-UHFFFAOYSA-N 0 2 409.558 3.833 20 0 HHADLN CNC(=O)c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)ccc1Cl ZINC000485082133 997453203 /nfs/dbraw/zinc/45/32/03/997453203.db2.gz XEGFDEZVZPPVKM-UHFFFAOYSA-N 0 2 410.776 3.658 20 0 HHADLN NC(=O)c1cccc(Oc2ccc(NS(=O)(=O)c3cc(F)ccc3Cl)cn2)c1 ZINC000485103051 997482000 /nfs/dbraw/zinc/48/20/00/997482000.db2.gz RZJCQTOMZMVVSR-UHFFFAOYSA-N 0 2 421.837 3.566 20 0 HHADLN O=C(Nc1n[nH]c(-c2cc3ccccc3o2)n1)c1cn[nH]c1-c1ccc2c(c1)OCO2 ZINC000485102793 997482169 /nfs/dbraw/zinc/48/21/69/997482169.db2.gz HKMUFBBNYWWDSV-UHFFFAOYSA-N 0 2 414.381 3.589 20 0 HHADLN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cc(C2CC2)nn1-c1ncccn1 ZINC000476911393 997519186 /nfs/dbraw/zinc/51/91/86/997519186.db2.gz DNWXMYGXIJMMSV-UHFFFAOYSA-N 0 2 423.420 3.668 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)nc1C(C)(C)C ZINC000476924656 997537907 /nfs/dbraw/zinc/53/79/07/997537907.db2.gz HIUFSEGBFRWWHA-UHFFFAOYSA-N 0 2 418.924 3.690 20 0 HHADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1nc(C2CC2)cs1 ZINC000476930757 997544788 /nfs/dbraw/zinc/54/47/88/997544788.db2.gz HGQNYPAXZKRJIN-UHFFFAOYSA-N 0 2 403.323 3.901 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N[C@@H]1CCc2ccccc21 ZINC000485356278 997780321 /nfs/dbraw/zinc/78/03/21/997780321.db2.gz KEZZSXJPKVQAJV-QGZVFWFLSA-N 0 2 414.512 3.753 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)ccc1NC(C)=O ZINC000485429559 997866931 /nfs/dbraw/zinc/86/69/31/997866931.db2.gz RAVFEFDMZNQNFB-UHFFFAOYSA-N 0 2 406.357 3.612 20 0 HHADLN O=S(=O)(Nc1cccc(-n2cccn2)c1)c1cc(Br)c(F)cc1F ZINC000485469938 997916286 /nfs/dbraw/zinc/91/62/86/997916286.db2.gz NGFOXWVHAJNONU-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN CSc1ccsc1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485491441 997942910 /nfs/dbraw/zinc/94/29/10/997942910.db2.gz MAXYOZVXRLUWLB-UHFFFAOYSA-N 0 2 411.555 3.980 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1nccc2ccccc21 ZINC000485498430 997953255 /nfs/dbraw/zinc/95/32/55/997953255.db2.gz SKQSLYQAYYJTOL-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)cn1 ZINC000477466124 998180408 /nfs/dbraw/zinc/18/04/08/998180408.db2.gz LMCKXZVJUGICPA-UHFFFAOYSA-N 0 2 424.482 3.954 20 0 HHADLN CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000485862519 998323597 /nfs/dbraw/zinc/32/35/97/998323597.db2.gz JRWKTVTYOLHMJT-UHFFFAOYSA-N 0 2 419.460 3.812 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000486088671 998535531 /nfs/dbraw/zinc/53/55/31/998535531.db2.gz CPVQXHIINMAYOI-HNNXBMFYSA-N 0 2 418.906 3.660 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c(C)c1 ZINC000486090546 998538547 /nfs/dbraw/zinc/53/85/47/998538547.db2.gz QFTKLCUULRABJM-UHFFFAOYSA-N 0 2 413.499 3.892 20 0 HHADLN Cc1c(F)cccc1S(=O)(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000486523821 998806873 /nfs/dbraw/zinc/80/68/73/998806873.db2.gz YGEFDLOTJYPQTH-UHFFFAOYSA-N 0 2 401.250 3.822 20 0 HHADLN CC(C)(C)OCc1cc(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)no1 ZINC000486533607 998811934 /nfs/dbraw/zinc/81/19/34/998811934.db2.gz NYTYSFYFIJPELS-UHFFFAOYSA-N 0 2 421.910 3.905 20 0 HHADLN Cn1nc(-c2ccsc2)cc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000486554988 998823248 /nfs/dbraw/zinc/82/32/48/998823248.db2.gz GVTCZOYHSVSVDE-UHFFFAOYSA-N 0 2 416.297 3.851 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc(C)cc(Br)c2)n(-c2cc(C)ccn2)n1 ZINC000486556083 998824212 /nfs/dbraw/zinc/82/42/12/998824212.db2.gz LJLNIYBFIBZPFY-UHFFFAOYSA-N 0 2 421.320 3.756 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cc[nH]c1C1CCC1 ZINC000486584047 998841056 /nfs/dbraw/zinc/84/10/56/998841056.db2.gz UGXIQMCKNQBPML-UHFFFAOYSA-N 0 2 402.501 3.792 20 0 HHADLN Cc1cc(Br)cnc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000486638982 998869936 /nfs/dbraw/zinc/86/99/36/998869936.db2.gz SYLBIBDCMAKWCH-UHFFFAOYSA-N 0 2 411.199 3.852 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000478312420 998880360 /nfs/dbraw/zinc/88/03/60/998880360.db2.gz JKLYIENLNJWWBX-UHFFFAOYSA-N 0 2 402.449 3.791 20 0 HHADLN C[C@H](Oc1ccccc1Br)C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000486661482 998881364 /nfs/dbraw/zinc/88/13/64/998881364.db2.gz URWJEQGKZSIWHA-NSHDSACASA-N 0 2 404.289 3.796 20 0 HHADLN Cc1[nH]c(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)c(C)c1C(=O)OC(C)C ZINC000478325161 998889104 /nfs/dbraw/zinc/88/91/04/998889104.db2.gz UMHNUZPCLHLVBR-UHFFFAOYSA-N 0 2 403.389 3.512 20 0 HHADLN Cc1ccc(-n2cnnn2)cc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000486860520 998978459 /nfs/dbraw/zinc/97/84/59/998978459.db2.gz HCFHDHZYISTHBG-UHFFFAOYSA-N 0 2 418.693 3.732 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NC[C@H](c1ccccc1)C(F)(F)F ZINC000486886004 998991538 /nfs/dbraw/zinc/99/15/38/998991538.db2.gz LRDMWOBVBSQFRF-MRXNPFEDSA-N 0 2 419.407 3.529 20 0 HHADLN CCOC(=O)c1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000486887806 998992228 /nfs/dbraw/zinc/99/22/28/998992228.db2.gz PHDYHJIEDKVTFE-UHFFFAOYSA-N 0 2 406.357 3.525 20 0 HHADLN CC(C)(C(=O)NCc1nnc(COc2ccccc2)[nH]1)c1cccc(Cl)c1F ZINC000478603555 999042679 /nfs/dbraw/zinc/04/26/79/999042679.db2.gz UJYPIQKWHHXUNJ-UHFFFAOYSA-N 0 2 402.857 3.770 20 0 HHADLN CCOc1ccc(C(=O)CCC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)cc1 ZINC000478665995 999078162 /nfs/dbraw/zinc/07/81/62/999078162.db2.gz GKQDYGJIOAMABH-UHFFFAOYSA-N 0 2 411.483 3.636 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000479073905 999281229 /nfs/dbraw/zinc/28/12/29/999281229.db2.gz ZABPLVCYFJBEDL-UHFFFAOYSA-N 0 2 408.476 3.691 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1nc(C)c(Cc2cccc(F)c2)s1 ZINC000479085900 999287066 /nfs/dbraw/zinc/28/70/66/999287066.db2.gz PYGYACZJBRWBCV-UHFFFAOYSA-N 0 2 422.503 3.999 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2c(OC)cccc2OC)s1)c1ccccc1 ZINC000479163269 999303705 /nfs/dbraw/zinc/30/37/05/999303705.db2.gz SXLYKXRGWONZEJ-AWEZNQCLSA-N 0 2 419.528 3.898 20 0 HHADLN CC(C)c1cccc(CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000479162700 999303797 /nfs/dbraw/zinc/30/37/97/999303797.db2.gz MIWLNWBMANJKKX-UHFFFAOYSA-N 0 2 415.540 3.997 20 0 HHADLN Cc1cc(S(C)(=O)=O)cc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1C ZINC000479234762 999337589 /nfs/dbraw/zinc/33/75/89/999337589.db2.gz DORYWECGEIDZJQ-UHFFFAOYSA-N 0 2 414.357 3.876 20 0 HHADLN CCCCCn1nc(C)cc1NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000479246114 999344694 /nfs/dbraw/zinc/34/46/94/999344694.db2.gz NMKDTFWXXUSZHT-UHFFFAOYSA-N 0 2 422.526 3.558 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)n2)cc1Cl ZINC000479256635 999350613 /nfs/dbraw/zinc/35/06/13/999350613.db2.gz GWCUKIJTHLLZAY-UHFFFAOYSA-N 0 2 418.700 3.565 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(Oc3ccncc3)cc2)c(OC)c1 ZINC000488258290 999413492 /nfs/dbraw/zinc/41/34/92/999413492.db2.gz SLMSKPDXSSIEMW-UHFFFAOYSA-N 0 2 416.455 3.701 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2c(OC)cc(OC)cc2OC)c1C1CC1 ZINC000488276473 999420489 /nfs/dbraw/zinc/42/04/89/999420489.db2.gz ZMJWFZUXQAXPKZ-GFCCVEGCSA-N 0 2 409.508 3.558 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(Cl)c(OC(F)F)c2)c(OC)c1 ZINC000488299763 999429464 /nfs/dbraw/zinc/42/94/64/999429464.db2.gz SUOUGRFKPDWFPN-UHFFFAOYSA-N 0 2 423.821 3.768 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC000479478953 999434924 /nfs/dbraw/zinc/43/49/24/999434924.db2.gz HIYMYKFAZIYWKH-UHFFFAOYSA-N 0 2 400.435 3.785 20 0 HHADLN COc1cccc(COc2cccc(NS(=O)(=O)c3c(C)nn(C)c3C)c2C)c1 ZINC000479492227 999442405 /nfs/dbraw/zinc/44/24/05/999442405.db2.gz YNYNAICUXQDQOD-UHFFFAOYSA-N 0 2 415.515 3.734 20 0 HHADLN O=S(=O)(Nc1ccc(COC2CCCC2)cc1)c1cnn(CC(F)(F)F)c1 ZINC000479509172 999451074 /nfs/dbraw/zinc/45/10/74/999451074.db2.gz FPIVAJAEZAVUBG-UHFFFAOYSA-N 0 2 403.426 3.705 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000479520337 999457569 /nfs/dbraw/zinc/45/75/69/999457569.db2.gz ZEFDZIAVHIMLGI-OAHLLOKOSA-N 0 2 418.515 3.519 20 0 HHADLN O=S(=O)(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1cc(F)ccc1F ZINC000479543556 999469542 /nfs/dbraw/zinc/46/95/42/999469542.db2.gz KZANPPGOZUVKOW-UHFFFAOYSA-N 0 2 403.332 3.970 20 0 HHADLN Cc1[nH]nc2ncc(NS(=O)(=O)c3cc(Cl)ccc3OCCC3CC3)cc12 ZINC000488392606 999472136 /nfs/dbraw/zinc/47/21/36/999472136.db2.gz DSJWJJYZPGLITL-UHFFFAOYSA-N 0 2 406.895 3.899 20 0 HHADLN Cc1ccc(I)cc1NS(=O)(=O)c1cccc(F)c1F ZINC000479554944 999475477 /nfs/dbraw/zinc/47/54/77/999475477.db2.gz NNXRISHCZSWRES-UHFFFAOYSA-N 0 2 409.195 3.679 20 0 HHADLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)c1 ZINC000479567859 999481550 /nfs/dbraw/zinc/48/15/50/999481550.db2.gz HAQZIHIIVXXEGX-UHFFFAOYSA-N 0 2 423.796 3.955 20 0 HHADLN O=S(=O)(Nc1nc2ccc(I)cc2s1)c1cccs1 ZINC000488434058 999486047 /nfs/dbraw/zinc/48/60/47/999486047.db2.gz IRGFHKVSAZCWGY-UHFFFAOYSA-N 0 2 422.294 3.763 20 0 HHADLN COC(=O)c1nscc1NS(=O)(=O)c1cc(Cl)ccc1OCCC1CC1 ZINC000488468896 999497072 /nfs/dbraw/zinc/49/70/72/999497072.db2.gz YIRNPZICBKOTDD-UHFFFAOYSA-N 0 2 416.908 3.563 20 0 HHADLN Cc1cnc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)s1 ZINC000488559864 999527714 /nfs/dbraw/zinc/52/77/14/999527714.db2.gz OFKUUCKVELMAKX-ZDUSSCGKSA-N 0 2 402.925 3.854 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cnn(CC(F)F)c2)sc1Cc1ccc(C)cc1 ZINC000488581723 999534937 /nfs/dbraw/zinc/53/49/37/999534937.db2.gz MXQIPGSJMAUWSV-UHFFFAOYSA-N 0 2 412.487 3.613 20 0 HHADLN Cc1cccn2c([N-]S(=O)(=O)c3cnn(CC(F)F)c3)c(-c3ccccc3)[nH+]c12 ZINC000488585246 999536084 /nfs/dbraw/zinc/53/60/84/999536084.db2.gz VPYPCAZTAUOOGM-UHFFFAOYSA-N 0 2 417.441 3.572 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2nc3c(ccc(F)c3C)s2)c(OC)c1 ZINC000488593113 999539015 /nfs/dbraw/zinc/53/90/15/999539015.db2.gz IFZKLBPAMUNEPE-UHFFFAOYSA-N 0 2 412.464 3.570 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)C[C@H](c1ccccc1)CC2)c1cnn(CC(F)F)c1 ZINC000488597516 999541082 /nfs/dbraw/zinc/54/10/82/999541082.db2.gz PCWRUKFWBDMNMZ-CYBMUJFWSA-N 0 2 424.498 3.678 20 0 HHADLN CCc1csc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)n1 ZINC000488653237 999559604 /nfs/dbraw/zinc/55/96/04/999559604.db2.gz ZVUGOJAAZAIXCQ-LLVKDONJSA-N 0 2 402.925 3.575 20 0 HHADLN O=S(=O)(Nc1nnc(CC(F)(F)F)s1)c1ccc(OC(F)F)c(Cl)c1 ZINC000479985926 999675135 /nfs/dbraw/zinc/67/51/35/999675135.db2.gz MPWNAUPQKRASOE-UHFFFAOYSA-N 0 2 423.772 3.699 20 0 HHADLN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000480009167 999684484 /nfs/dbraw/zinc/68/44/84/999684484.db2.gz GYPIEOHAYLWIDG-UHFFFAOYSA-N 0 2 405.345 3.771 20 0 HHADLN Cc1ccccc1Nc1nc2sc(C(=O)NCCCc3n[nH]c(=O)[nH]3)cc2s1 ZINC000480036411 999696000 /nfs/dbraw/zinc/69/60/00/999696000.db2.gz OPBFLJCXMPXHIJ-UHFFFAOYSA-N 0 2 414.516 3.596 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCc1ccncc1OCc1ccccc1 ZINC000480176871 999737033 /nfs/dbraw/zinc/73/70/33/999737033.db2.gz HRQIEGROGWSZLH-UHFFFAOYSA-N 0 2 423.523 3.984 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cn(C)nc2-c2ccccc2)c2ccccc12 ZINC000480179030 999737762 /nfs/dbraw/zinc/73/77/62/999737762.db2.gz NFNNQPOIDBYQSW-UHFFFAOYSA-N 0 2 420.494 4.000 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3C)c2CC)cc1 ZINC000480202415 999743931 /nfs/dbraw/zinc/74/39/31/999743931.db2.gz XUWKKPXGNZKLCV-UHFFFAOYSA-N 0 2 412.515 3.892 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cnn(-c2ccccc2Cl)c1C(C)C ZINC000480229309 999751167 /nfs/dbraw/zinc/75/11/67/999751167.db2.gz PSVXMFWCZBBBDE-UHFFFAOYSA-N 0 2 407.927 3.800 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)OCO3)cnn1-c1cccc(Cl)c1 ZINC000480234256 999752565 /nfs/dbraw/zinc/75/25/65/999752565.db2.gz VTAZMLFSUIIVKI-UHFFFAOYSA-N 0 2 405.863 3.618 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2cnn(C(CC)CC)c2CC)c1 ZINC000480234146 999752606 /nfs/dbraw/zinc/75/26/06/999752606.db2.gz WBHLMTNRESWUMU-UHFFFAOYSA-N 0 2 411.499 3.923 20 0 HHADLN COC(=O)c1sccc1NS(=O)(=O)c1cc(Br)c(F)cc1C ZINC000480235957 999752802 /nfs/dbraw/zinc/75/28/02/999752802.db2.gz YCACQHQDTPZYMT-UHFFFAOYSA-N 0 2 408.270 3.546 20 0 HHADLN COc1ccc([C@H](C)NC(=O)N=c2nc(-c3ccsc3)[nH]s2)c(C)c1OC ZINC000480236676 999753137 /nfs/dbraw/zinc/75/31/37/999753137.db2.gz NQQKSISTKXDRDM-NSHDSACASA-N 0 2 404.517 3.897 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2c(C)[nH]c(C(=O)OCC)c2C)c1C(C)C ZINC000480242546 999754740 /nfs/dbraw/zinc/75/47/40/999754740.db2.gz BEQGWIVTUCTHMR-UHFFFAOYSA-N 0 2 410.540 3.729 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(OC(C)C)c(Cl)c2)cnn1-c1ccccn1 ZINC000480699591 999862725 /nfs/dbraw/zinc/86/27/25/999862725.db2.gz QCZRNNPWJFEKGR-UHFFFAOYSA-N 0 2 406.895 3.817 20 0 HHADLN CCN(Cc1ccccn1)C(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000490054712 999886161 /nfs/dbraw/zinc/88/61/61/999886161.db2.gz CHWXUNZNDUVADO-UHFFFAOYSA-N 0 2 415.540 3.915 20 0 HHADLN CC(C)CC1(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)CCCC1 ZINC000490082048 999890299 /nfs/dbraw/zinc/89/02/99/999890299.db2.gz CHHKGPQZFCOPBN-UHFFFAOYSA-N 0 2 408.549 3.884 20 0 HHADLN Cc1ccc(-n2cc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4)n[nH]3)nn2)cc1 ZINC000490611914 999984254 /nfs/dbraw/zinc/98/42/54/999984254.db2.gz UIEQENBYCVSVJH-UHFFFAOYSA-N 0 2 413.363 3.632 20 0 HHADLN COC(=O)c1ccccc1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000491596036 1000087537 /nfs/dbraw/zinc/08/75/37/1000087537.db2.gz GWUSNCFNSBRHKM-UHFFFAOYSA-N 0 2 404.669 3.690 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000491714247 1000092896 /nfs/dbraw/zinc/09/28/96/1000092896.db2.gz BMPSMDHJUFMLQX-UHFFFAOYSA-N 0 2 416.268 3.792 20 0 HHADLN O=C1CCOc2c(NS(=O)(=O)c3cccc(Cl)c3Br)cccc21 ZINC000491809720 1000095393 /nfs/dbraw/zinc/09/53/93/1000095393.db2.gz IYIPWRVNAPODKT-UHFFFAOYSA-N 0 2 416.680 3.869 20 0 HHADLN O=S(=O)(Nc1cc(C2CC2)nn1-c1ncccn1)c1ccc(Cl)c(Cl)c1 ZINC000492039060 1000106151 /nfs/dbraw/zinc/10/61/51/1000106151.db2.gz GIWWNHQDQBQMEM-UHFFFAOYSA-N 0 2 410.286 3.647 20 0 HHADLN CN(C)c1cccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c1 ZINC000493339796 1000169673 /nfs/dbraw/zinc/16/96/73/1000169673.db2.gz UCHJEDJCGQNNLE-UHFFFAOYSA-N 0 2 408.936 3.649 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc3oc(C(F)(F)F)nc32)cc1C ZINC000494443269 1000494872 /nfs/dbraw/zinc/49/48/72/1000494872.db2.gz HSUQLXTWTNPDEE-UHFFFAOYSA-N 0 2 414.361 3.742 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)N(C)CC(F)(F)F ZINC000505070772 1000535429 /nfs/dbraw/zinc/53/54/29/1000535429.db2.gz GEFGKKTUQFGYDC-UHFFFAOYSA-N 0 2 419.400 3.961 20 0 HHADLN Cc1ccc2c(n1)[nH]cc(C(=O)N1CCC[C@@H](c3nc4ccc(F)cc4o3)C1)c2=O ZINC000505173779 1000596088 /nfs/dbraw/zinc/59/60/88/1000596088.db2.gz UZGFVWOJEPCBCX-CYBMUJFWSA-N 0 2 406.417 3.944 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N1CCCC[C@@H]1C(F)F ZINC000505298246 1000681898 /nfs/dbraw/zinc/68/18/98/1000681898.db2.gz POIMFUHULLBKBZ-CYBMUJFWSA-N 0 2 416.475 3.595 20 0 HHADLN COCc1cccc(S(=O)(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c1 ZINC000505300092 1000683254 /nfs/dbraw/zinc/68/32/54/1000683254.db2.gz OWGGZRCVRCYWPH-UHFFFAOYSA-N 0 2 411.405 3.838 20 0 HHADLN CCc1c(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)cnn1CCC(C)C ZINC000494925409 1000732649 /nfs/dbraw/zinc/73/26/49/1000732649.db2.gz XKLDMFRKFVRDAB-UHFFFAOYSA-N 0 2 411.510 3.510 20 0 HHADLN C[C@H](NC(=O)C1=NN(c2ccccc2)CC1=O)c1noc(-c2ccc(Cl)cc2)n1 ZINC000495394361 1000997455 /nfs/dbraw/zinc/99/74/55/1000997455.db2.gz HNUQLAJRZXNLHJ-LBPRGKRZSA-N 0 2 409.833 3.772 20 0 HHADLN C[C@@H](NC(=O)C1=NN(c2ccccc2)CC1=O)c1noc(-c2ccc(Cl)cc2)n1 ZINC000495394360 1000997581 /nfs/dbraw/zinc/99/75/81/1000997581.db2.gz HNUQLAJRZXNLHJ-GFCCVEGCSA-N 0 2 409.833 3.772 20 0 HHADLN C[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1c(F)cccc1F ZINC000495404761 1001000852 /nfs/dbraw/zinc/00/08/52/1001000852.db2.gz MRVHFGOWNCRSFY-NSHDSACASA-N 0 2 423.466 3.964 20 0 HHADLN CC(C)Oc1cc(CN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C2CC2)ccn1 ZINC000506120468 1001232515 /nfs/dbraw/zinc/23/25/15/1001232515.db2.gz RFIKFRPVIDTHOH-UHFFFAOYSA-N 0 2 410.449 3.704 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N3CCN(c4ccc(C(F)(F)F)cc4)CC3)c[nH]c2n1 ZINC000506222072 1001288015 /nfs/dbraw/zinc/28/80/15/1001288015.db2.gz CYOYVFGUTXNHMO-UHFFFAOYSA-N 0 2 416.403 3.625 20 0 HHADLN CCC[C@@H]1C[C@@H](C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)CCO1 ZINC000506337369 1001363816 /nfs/dbraw/zinc/36/38/16/1001363816.db2.gz JXEYKNVQBSUHQQ-CMPLNLGQSA-N 0 2 411.275 3.907 20 0 HHADLN CCC[C@H]1C[C@@H](C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)CCO1 ZINC000506337370 1001363845 /nfs/dbraw/zinc/36/38/45/1001363845.db2.gz JXEYKNVQBSUHQQ-JQWIXIFHSA-N 0 2 411.275 3.907 20 0 HHADLN CCC[C@@H]1C[C@H](C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)CCO1 ZINC000506337372 1001363992 /nfs/dbraw/zinc/36/39/92/1001363992.db2.gz JXEYKNVQBSUHQQ-ZYHUDNBSSA-N 0 2 411.275 3.907 20 0 HHADLN O=S(=O)(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccoc1 ZINC000506553119 1001457634 /nfs/dbraw/zinc/45/76/34/1001457634.db2.gz ULUIVHPZSVSKSV-UHFFFAOYSA-N 0 2 412.876 3.535 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1cc2c(s1)CCCC2 ZINC000497787754 1001513948 /nfs/dbraw/zinc/51/39/48/1001513948.db2.gz DFFCHEVVJQUCDZ-UHFFFAOYSA-N 0 2 420.541 3.532 20 0 HHADLN Cc1ccccc1[C@H](C)CC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000497791552 1001515163 /nfs/dbraw/zinc/51/51/63/1001515163.db2.gz AQNZSVGCAAGJLV-CQSZACIVSA-N 0 2 416.528 3.780 20 0 HHADLN CC(C)(CC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccccc1 ZINC000497801755 1001518235 /nfs/dbraw/zinc/51/82/35/1001518235.db2.gz BQKQGJHUNNFMOR-UHFFFAOYSA-N 0 2 416.528 3.645 20 0 HHADLN COC(=O)c1cc(C)nc2nc(NS(=O)(=O)c3cc(C)ccc3Cl)sc21 ZINC000497849509 1001536264 /nfs/dbraw/zinc/53/62/64/1001536264.db2.gz UIHLPWWWFNJHGH-UHFFFAOYSA-N 0 2 411.892 3.549 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ncc(C(F)(F)F)[nH]3)cc2)cc1 ZINC000506910122 1001590156 /nfs/dbraw/zinc/59/01/56/1001590156.db2.gz MPKZJPNUAJPGOO-UHFFFAOYSA-N 0 2 424.404 3.790 20 0 HHADLN CC(C)(C)n1ncnc1CNC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000507116985 1001819324 /nfs/dbraw/zinc/81/93/24/1001819324.db2.gz HOAZMTDGTFCZSS-UHFFFAOYSA-N 0 2 417.469 3.597 20 0 HHADLN C[C@@H]1CN(Cc2cccc(NC(=O)c3nc[nH]c3C(=O)c3ccccc3)c2)C[C@@H](C)O1 ZINC000498634201 1002036590 /nfs/dbraw/zinc/03/65/90/1002036590.db2.gz APZWHVWRJCNOAU-IAGOWNOFSA-N 0 2 418.497 3.502 20 0 HHADLN C[C@@H]1CN(Cc2cccc(NC(=O)c3[nH]cnc3C(=O)c3ccccc3)c2)C[C@@H](C)O1 ZINC000498634201 1002036601 /nfs/dbraw/zinc/03/66/01/1002036601.db2.gz APZWHVWRJCNOAU-IAGOWNOFSA-N 0 2 418.497 3.502 20 0 HHADLN CNC(=O)Nc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)ccc1F ZINC000507578895 1002184149 /nfs/dbraw/zinc/18/41/49/1002184149.db2.gz APSIUMCNFOERAG-UHFFFAOYSA-N 0 2 409.336 3.536 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(C)C)ccc1C ZINC000507917693 1002452320 /nfs/dbraw/zinc/45/23/20/1002452320.db2.gz LSUCNXZFIPQULG-UHFFFAOYSA-N 0 2 407.536 3.948 20 0 HHADLN COc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cncc(Br)c1 ZINC000507970928 1002502281 /nfs/dbraw/zinc/50/22/81/1002502281.db2.gz POQVJCWIGAEUSW-UHFFFAOYSA-N 0 2 412.092 3.960 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C(C)C)c1 ZINC000507972304 1002502845 /nfs/dbraw/zinc/50/28/45/1002502845.db2.gz WMWOMPBCORKLAN-UHFFFAOYSA-N 0 2 421.563 3.959 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C(C)(C)C)cc2O)c1 ZINC000507986247 1002515384 /nfs/dbraw/zinc/51/53/84/1002515384.db2.gz NYFFBOWWWBDFSB-UHFFFAOYSA-N 0 2 407.488 3.676 20 0 HHADLN CC[C@H](C)n1c(SCC(=O)Nc2ccc3nn[nH]c3c2)nnc1-c1ccccc1 ZINC000507997292 1002525066 /nfs/dbraw/zinc/52/50/66/1002525066.db2.gz DAERACVQFSPUQS-ZDUSSCGKSA-N 0 2 407.503 3.918 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)cc1OC ZINC000508019934 1002543824 /nfs/dbraw/zinc/54/38/24/1002543824.db2.gz ZJJWQAUNSUHGBL-UHFFFAOYSA-N 0 2 424.475 3.679 20 0 HHADLN COCCc1ccnc(NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)c1 ZINC000508067733 1002589207 /nfs/dbraw/zinc/58/92/07/1002589207.db2.gz KBVBPTPLGLMGCM-UHFFFAOYSA-N 0 2 422.453 3.868 20 0 HHADLN O=S(=O)([N-]c1ccc(Cn2cc[nH+]c2)cn1)c1ccc(Cl)cc1C(F)(F)F ZINC000508073054 1002594933 /nfs/dbraw/zinc/59/49/33/1002594933.db2.gz IPOGDZDIQKQTMS-UHFFFAOYSA-N 0 2 416.812 3.799 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2nc3c(s2)c(Cl)ccc3C)cn1C ZINC000508090348 1002613105 /nfs/dbraw/zinc/61/31/05/1002613105.db2.gz WBLHTZFTNAZKKZ-UHFFFAOYSA-N 0 2 413.908 3.574 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)o2)c1F ZINC000508101999 1002626086 /nfs/dbraw/zinc/62/60/86/1002626086.db2.gz KRYLQSXQYVTPNL-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)F)c2)o1)c1cccc(Cl)c1 ZINC000508125454 1002655476 /nfs/dbraw/zinc/65/54/76/1002655476.db2.gz OKPMKTWBHQLREW-UHFFFAOYSA-N 0 2 401.778 3.792 20 0 HHADLN CC(C)Cn1ncc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1C(C)C ZINC000499265214 1002668991 /nfs/dbraw/zinc/66/89/91/1002668991.db2.gz JDAQYTSOPHXBDP-UHFFFAOYSA-N 0 2 405.499 3.788 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(C)C)cn1 ZINC000499283770 1002693904 /nfs/dbraw/zinc/69/39/04/1002693904.db2.gz IEQPBNCAFFIDOE-UHFFFAOYSA-N 0 2 417.535 3.658 20 0 HHADLN COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2cnn(CC(C)C)c2C(C)C)c1 ZINC000499287895 1002699606 /nfs/dbraw/zinc/69/96/06/1002699606.db2.gz VSPVEOUSYGVCJG-UHFFFAOYSA-N 0 2 407.536 3.867 20 0 HHADLN Cc1coc(-c2ccc(C)c(NS(=O)(=O)c3cnc4c(Cl)c(C)nn4c3)c2)n1 ZINC000499293460 1002704410 /nfs/dbraw/zinc/70/44/10/1002704410.db2.gz XZMHAVGZZTVUOE-UHFFFAOYSA-N 0 2 417.878 3.764 20 0 HHADLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3nnc(-c4ccc(F)cc4)o3)cc(Cl)c2O1 ZINC000508201764 1002735901 /nfs/dbraw/zinc/73/59/01/1002735901.db2.gz BEVKMQWPLJTJPS-SECBINFHSA-N 0 2 409.826 3.653 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccccc2N(C)C(C)C)c1 ZINC000508234223 1002760749 /nfs/dbraw/zinc/76/07/49/1002760749.db2.gz ZMUZORMTDRPMLR-UHFFFAOYSA-N 0 2 406.504 3.517 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)o2)ccc1C ZINC000508240371 1002765794 /nfs/dbraw/zinc/76/57/94/1002765794.db2.gz MJWMFPRMUGTAOT-UHFFFAOYSA-N 0 2 415.471 3.639 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCO[C@H](c2ccccc2Cl)C1 ZINC000508272983 1002788060 /nfs/dbraw/zinc/78/80/60/1002788060.db2.gz WVNGRKMWECEQBY-INIZCTEOSA-N 0 2 400.891 3.886 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(C)[C@@H]3CCCc4cc(OC)ccc43)=N2)cc1 ZINC000499648641 1003011657 /nfs/dbraw/zinc/01/16/57/1003011657.db2.gz NFKHWBAHGNOGEY-HXUWFJFHSA-N 0 2 407.470 3.745 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(C)Cc3ccccc3Br)=N2)cc1 ZINC000499750656 1003094308 /nfs/dbraw/zinc/09/43/08/1003094308.db2.gz OETHHCOTSUWNGO-UHFFFAOYSA-N 0 2 416.275 3.621 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000499956653 1003276833 /nfs/dbraw/zinc/27/68/33/1003276833.db2.gz VVUKZBXWMSCIPR-GOSISDBHSA-N 0 2 419.815 3.723 20 0 HHADLN COCCN(Cc1ccc(F)cc1Cl)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000500009249 1003333939 /nfs/dbraw/zinc/33/39/39/1003333939.db2.gz QFMQQVSGFWYZBD-UHFFFAOYSA-N 0 2 421.831 3.798 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](C)c3nc(C4CCCCC4)no3)=N2)cc1 ZINC000500117884 1003479455 /nfs/dbraw/zinc/47/94/55/1003479455.db2.gz BJSAVTBRSSVMOG-CYBMUJFWSA-N 0 2 411.462 3.508 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1cnc2ccccc2c1 ZINC000509069438 1003530868 /nfs/dbraw/zinc/53/08/68/1003530868.db2.gz SUOSYAWPORMGOY-INIZCTEOSA-N 0 2 402.447 3.733 20 0 HHADLN COC(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2cc(C)cc(C)c2OC)c1 ZINC000509070372 1003531737 /nfs/dbraw/zinc/53/17/37/1003531737.db2.gz VSZIOPNDRVMOKL-UHFFFAOYSA-N 0 2 407.488 3.687 20 0 HHADLN C[S@@](=O)c1cccc(NS(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000509075172 1003535585 /nfs/dbraw/zinc/53/55/85/1003535585.db2.gz OSAIRNSULWRGQG-HXUWFJFHSA-N 0 2 408.726 3.641 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cnc3ccccc3c2)nc1C(C)(C)C ZINC000509194732 1003617621 /nfs/dbraw/zinc/61/76/21/1003617621.db2.gz HAWUFOCTXRMLHA-UHFFFAOYSA-N 0 2 405.501 3.576 20 0 HHADLN Cn1c2ccccc2nc1-c1ccc(NS(=O)(=O)c2cccc3c2OCO3)cc1 ZINC000509205686 1003623412 /nfs/dbraw/zinc/62/34/12/1003623412.db2.gz MZGCUCSMJSMVCU-UHFFFAOYSA-N 0 2 407.451 3.770 20 0 HHADLN Cc1nc(NS(=O)(=O)c2c(Cl)cccc2Br)nc2c1CCCC2 ZINC000509227357 1003638887 /nfs/dbraw/zinc/63/88/87/1003638887.db2.gz ZCWZVSSMGXFUJW-UHFFFAOYSA-N 0 2 416.728 3.881 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nnc(Cc2ccccc2Cl)o1 ZINC000509235458 1003643589 /nfs/dbraw/zinc/64/35/89/1003643589.db2.gz BJKOQORGEWFEJM-UHFFFAOYSA-N 0 2 407.879 3.740 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nnc(Cc2ccc(Cl)cc2)o1 ZINC000509261284 1003662185 /nfs/dbraw/zinc/66/21/85/1003662185.db2.gz ARGKZGGZIPQYGU-UHFFFAOYSA-N 0 2 407.879 3.740 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(-c3cncc(F)c3)ccc2C)cnn1-c1ccccn1 ZINC000509382404 1003810960 /nfs/dbraw/zinc/81/09/60/1003810960.db2.gz CVDMGPDXPMFACF-UHFFFAOYSA-N 0 2 423.473 3.886 20 0 HHADLN COc1ccc(C[C@H]2CCCN(C(=O)C3=NN(c4ccc(OC)cc4)CC3=O)C2)cc1 ZINC000500641833 1003855845 /nfs/dbraw/zinc/85/58/45/1003855845.db2.gz PRBPNRLBSDRSBU-GOSISDBHSA-N 0 2 421.497 3.690 20 0 HHADLN Cc1cc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)cc1C ZINC000511984729 1003935864 /nfs/dbraw/zinc/93/58/64/1003935864.db2.gz SXIWYNXLDYEDJM-UHFFFAOYSA-N 0 2 422.919 3.861 20 0 HHADLN CCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)F)cc1Cl ZINC000509567662 1003950297 /nfs/dbraw/zinc/95/02/97/1003950297.db2.gz JVHDHMNQSJEYPY-UHFFFAOYSA-N 0 2 418.849 3.882 20 0 HHADLN CCc1sc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1Br ZINC000500778802 1003951188 /nfs/dbraw/zinc/95/11/88/1003951188.db2.gz MVTJYDRZBVXESZ-UHFFFAOYSA-N 0 2 421.320 3.700 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000509570163 1003951918 /nfs/dbraw/zinc/95/19/18/1003951918.db2.gz OQJDXHVVNRYNMC-UHFFFAOYSA-N 0 2 406.847 3.946 20 0 HHADLN O=C(Nc1cccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)c1)c1ccoc1 ZINC000509608558 1003976276 /nfs/dbraw/zinc/97/62/76/1003976276.db2.gz CKLQDIJUMVXYET-UHFFFAOYSA-N 0 2 422.466 3.578 20 0 HHADLN CCCCCn1nc(C)cc1NS(=O)(=O)c1cccc2c1ccnc2C(=O)OC ZINC000500861341 1004008739 /nfs/dbraw/zinc/00/87/39/1004008739.db2.gz JDUOGMVVWWFLTP-UHFFFAOYSA-N 0 2 416.503 3.517 20 0 HHADLN Cn1ncc2c1[nH]cc(C(=O)N1CC=C(c3ccccc3C(F)(F)F)CC1)c2=O ZINC000512194777 1004095732 /nfs/dbraw/zinc/09/57/32/1004095732.db2.gz WHXDDNGTNUGMCT-UHFFFAOYSA-N 0 2 402.376 3.622 20 0 HHADLN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)ns2)cc1 ZINC000512363071 1004247882 /nfs/dbraw/zinc/24/78/82/1004247882.db2.gz OZXKLMZPDPXHTE-UHFFFAOYSA-N 0 2 421.931 3.920 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)ns2)c1 ZINC000512366831 1004250381 /nfs/dbraw/zinc/25/03/81/1004250381.db2.gz MTQDEOSPAXZTFR-UHFFFAOYSA-N 0 2 416.311 3.743 20 0 HHADLN Cc1cc2c(cc1NS(=O)(=O)c1cc(Br)c(F)cc1F)OCO2 ZINC000510090501 1004315864 /nfs/dbraw/zinc/31/58/64/1004315864.db2.gz QOIRDHPOJVXJOL-UHFFFAOYSA-N 0 2 406.204 3.565 20 0 HHADLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000510095646 1004319693 /nfs/dbraw/zinc/31/96/93/1004319693.db2.gz PMERWTXFFVPCKG-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN O=C(COc1ccc(Cl)cc1C1CCCCC1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510267260 1004435980 /nfs/dbraw/zinc/43/59/80/1004435980.db2.gz FCMIWDCDRCDMTD-OAHLLOKOSA-N 0 2 418.925 3.996 20 0 HHADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccccc1OCC(F)(F)F ZINC000512730738 1004523434 /nfs/dbraw/zinc/52/34/34/1004523434.db2.gz TWNDDNPKEUPQMG-UHFFFAOYSA-N 0 2 423.796 3.869 20 0 HHADLN Cc1cc(Cl)cc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c1O ZINC000512786402 1004559469 /nfs/dbraw/zinc/55/94/69/1004559469.db2.gz ZPWWPZBPNIPHBR-UHFFFAOYSA-N 0 2 402.859 3.898 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000512953200 1004723750 /nfs/dbraw/zinc/72/37/50/1004723750.db2.gz QUWXLXIQJYSDMH-UHFFFAOYSA-N 0 2 404.444 3.756 20 0 HHADLN COc1ccc(C(=O)N2CCCCCC2)cc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000501831838 1004764423 /nfs/dbraw/zinc/76/44/23/1004764423.db2.gz RWHTUAIOPDDFOJ-UHFFFAOYSA-N 0 2 424.469 3.790 20 0 HHADLN COc1ccccc1-c1nnc(SCc2n[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1 ZINC000513247390 1004879031 /nfs/dbraw/zinc/87/90/31/1004879031.db2.gz OHEBYZIUROTCPK-UHFFFAOYSA-N 0 2 414.878 3.712 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cccc(C)c2F)cc1Oc1ccc(C)nn1 ZINC000513432122 1004963444 /nfs/dbraw/zinc/96/34/44/1004963444.db2.gz OGQCTFVGMFRLDH-UHFFFAOYSA-N 0 2 403.435 3.834 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2nc3ccc(C)cc3s2)c1 ZINC000502397855 1005056081 /nfs/dbraw/zinc/05/60/81/1005056081.db2.gz HOGAHTOCPXJBOX-UHFFFAOYSA-N 0 2 424.475 3.730 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2cccc(Cl)c2C)c1 ZINC000502441586 1005077134 /nfs/dbraw/zinc/07/71/34/1005077134.db2.gz JUDWBIUQWLFYSA-UHFFFAOYSA-N 0 2 401.843 3.774 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1 ZINC000502494262 1005091272 /nfs/dbraw/zinc/09/12/72/1005091272.db2.gz NOHCVFCHMAEZTH-UHFFFAOYSA-N 0 2 421.368 3.831 20 0 HHADLN O=C(Nc1ccc2nc[nH]c2c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000511338650 1005129979 /nfs/dbraw/zinc/12/99/79/1005129979.db2.gz ASRPOQQEXRBJKY-UHFFFAOYSA-N 0 2 410.430 3.755 20 0 HHADLN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccc(C)cc1OCC(F)(F)F ZINC000513814734 1005140340 /nfs/dbraw/zinc/14/03/40/1005140340.db2.gz FYXNWTZGYUSOAB-UHFFFAOYSA-N 0 2 417.405 3.832 20 0 HHADLN COC(=O)c1ccc(-n2cc(C)cn2)c(NS(=O)(=O)c2ccc(C)cc2Cl)c1 ZINC000513817496 1005142264 /nfs/dbraw/zinc/14/22/64/1005142264.db2.gz IXTQCKISFYYAFG-UHFFFAOYSA-N 0 2 419.890 3.730 20 0 HHADLN COc1cccc(C(F)(F)CNS(=O)(=O)Cc2cc(Cl)cc(Cl)c2)n1 ZINC000511413946 1005165809 /nfs/dbraw/zinc/16/58/09/1005165809.db2.gz VNCUANBUDZTAFZ-UHFFFAOYSA-N 0 2 411.257 3.608 20 0 HHADLN CCc1nc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)nn1-c1ccccc1Cl ZINC000502725045 1005192200 /nfs/dbraw/zinc/19/22/00/1005192200.db2.gz SJQOXQHHLFQIGY-UHFFFAOYSA-N 0 2 410.890 3.676 20 0 HHADLN Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000511552038 1005221442 /nfs/dbraw/zinc/22/14/42/1005221442.db2.gz NMTRAMKWXMMWFF-UHFFFAOYSA-N 0 2 424.526 3.539 20 0 HHADLN Cn1ncc2c1[nH]cc(C(=O)N1CC=C(c3ccc(Cl)c(Cl)c3)CC1)c2=O ZINC000511675838 1005271611 /nfs/dbraw/zinc/27/16/11/1005271611.db2.gz QBWAARMNYQDRQK-UHFFFAOYSA-N 0 2 403.269 3.910 20 0 HHADLN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000511768637 1005316221 /nfs/dbraw/zinc/31/62/21/1005316221.db2.gz FOFWQVFCRUOMRA-HNAYVOBHSA-N 0 2 420.538 3.565 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)NCc1ccc(COC2CCOCC2)cc1 ZINC000503242937 1005375432 /nfs/dbraw/zinc/37/54/32/1005375432.db2.gz QGEDUCRVQGEADQ-UHFFFAOYSA-N 0 2 424.526 3.644 20 0 HHADLN CCn1cc(S(=O)(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)nc1C ZINC000503847030 1005499804 /nfs/dbraw/zinc/49/98/04/1005499804.db2.gz QKFDLMNQNNSPQM-ZDUSSCGKSA-N 0 2 415.359 3.812 20 0 HHADLN Cn1ccnc1[C@@H](NC(=O)N=c1nc(-c2ccccc2)[nH]s1)c1ccc(Cl)cc1 ZINC000531103338 1005995393 /nfs/dbraw/zinc/99/53/93/1005995393.db2.gz YTMLTDBICZJUJV-INIZCTEOSA-N 0 2 424.917 3.925 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000534065068 1006036819 /nfs/dbraw/zinc/03/68/19/1006036819.db2.gz TVBYSNFNZGJRAJ-GOSISDBHSA-N 0 2 414.412 3.625 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1cnn(-c2ccccc2)c1 ZINC000531194276 1006039073 /nfs/dbraw/zinc/03/90/73/1006039073.db2.gz BATYFGQFRHRNKI-UHFFFAOYSA-N 0 2 405.439 3.809 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc(F)cc1Cl ZINC000531211807 1006051404 /nfs/dbraw/zinc/05/14/04/1006051404.db2.gz PVIWEZIPBLLYLB-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000531341330 1006134176 /nfs/dbraw/zinc/13/41/76/1006134176.db2.gz XNGNBADWILGQTE-UHFFFAOYSA-N 0 2 410.343 3.976 20 0 HHADLN COc1cccc(CN(C[C@H]2CCCO2)C(=O)N=c2nc(-c3ccccc3)[nH]s2)c1 ZINC000531341972 1006134256 /nfs/dbraw/zinc/13/42/56/1006134256.db2.gz NGHMJXJHIMEKOO-LJQANCHMSA-N 0 2 424.526 3.849 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2)cc1OCC ZINC000531527961 1006255814 /nfs/dbraw/zinc/25/58/14/1006255814.db2.gz GCTMTYWZTDQTGD-UHFFFAOYSA-N 0 2 405.451 3.610 20 0 HHADLN COc1cc(Br)cc(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)c1 ZINC000534295968 1006285988 /nfs/dbraw/zinc/28/59/88/1006285988.db2.gz YCZBSAQNVHKLPY-UHFFFAOYSA-N 0 2 402.314 3.653 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@H](CO)c1ccc(Cl)cc1 ZINC000515228186 1006346900 /nfs/dbraw/zinc/34/69/00/1006346900.db2.gz IICSBTLDNFQAGB-CQSZACIVSA-N 0 2 409.298 3.789 20 0 HHADLN CC(C)c1ccc(-n2cc([O-])c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000515260538 1006367358 /nfs/dbraw/zinc/36/73/58/1006367358.db2.gz SDZCJTXGLAVVER-UHFFFAOYSA-N 0 2 404.514 3.659 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccn2)s1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000531883830 1006497722 /nfs/dbraw/zinc/49/77/22/1006497722.db2.gz NJAPVLZTMKUBLT-UHFFFAOYSA-N 0 2 406.492 3.972 20 0 HHADLN COc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1Cl ZINC000531956141 1006543697 /nfs/dbraw/zinc/54/36/97/1006543697.db2.gz ABXPZGUTFNIWNR-QGZVFWFLSA-N 0 2 404.938 3.910 20 0 HHADLN C[C@H]1CCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])C[C@H]1n1cc[nH+]c1 ZINC000532091764 1006626810 /nfs/dbraw/zinc/62/68/10/1006626810.db2.gz LPBKVPDAOITBLB-XJKSGUPXSA-N 0 2 419.407 3.517 20 0 HHADLN Cc1csc(NC2CCN(C(=O)C3=NN(c4ccc(Cl)cc4)CC3=O)CC2)n1 ZINC000515766493 1006656572 /nfs/dbraw/zinc/65/65/72/1006656572.db2.gz UQHLGFKQGAJPTM-UHFFFAOYSA-N 0 2 417.922 3.713 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccc2)s1)c1ccc(OC(F)(F)F)cc1 ZINC000532139339 1006666865 /nfs/dbraw/zinc/66/68/65/1006666865.db2.gz WDTQDJKNZLQIEL-UHFFFAOYSA-N 0 2 401.391 3.905 20 0 HHADLN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000532155318 1006679993 /nfs/dbraw/zinc/67/99/93/1006679993.db2.gz SNFQOXGUJHDRBW-RHSMWYFYSA-N 0 2 407.561 3.985 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000538447926 1006714884 /nfs/dbraw/zinc/71/48/84/1006714884.db2.gz HVUNEBWVABCAOD-UHFFFAOYSA-N 0 2 400.847 3.978 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)c(C)o1 ZINC000538449700 1006717623 /nfs/dbraw/zinc/71/76/23/1006717623.db2.gz JDDCSOPCFOQRMH-UHFFFAOYSA-N 0 2 409.460 3.669 20 0 HHADLN Cc1cc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c(F)cc1F ZINC000534744053 1006735294 /nfs/dbraw/zinc/73/52/94/1006735294.db2.gz NVZKKIMIEVUAGR-INIZCTEOSA-N 0 2 404.442 3.584 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000534839320 1006855268 /nfs/dbraw/zinc/85/52/68/1006855268.db2.gz HDSAELMQSPPGPE-QGZVFWFLSA-N 0 2 401.825 3.664 20 0 HHADLN COC[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000532482101 1006921705 /nfs/dbraw/zinc/92/17/05/1006921705.db2.gz NJFYGPIMMXDMTK-VXKWHMMOSA-N 0 2 421.507 3.971 20 0 HHADLN COc1ccccc1S(=O)(=O)Nc1cc(Cl)cc(Br)c1OC ZINC000534942108 1006983514 /nfs/dbraw/zinc/98/35/14/1006983514.db2.gz OWAALIPLPZGAHO-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2SC(C)C)cn1 ZINC000538753758 1007039258 /nfs/dbraw/zinc/03/92/58/1007039258.db2.gz FXUVEJUJJBWGRV-UHFFFAOYSA-N 0 2 400.909 3.823 20 0 HHADLN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000538754636 1007040569 /nfs/dbraw/zinc/04/05/69/1007040569.db2.gz AFGFQGFOEOAGNH-UHFFFAOYSA-N 0 2 400.504 3.544 20 0 HHADLN O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000535052563 1007081432 /nfs/dbraw/zinc/08/14/32/1007081432.db2.gz SFYPESIHFSCQSV-UHFFFAOYSA-N 0 2 400.385 3.601 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CC[C@@H](Oc4ccc(Cl)cc4)C3)=N2)cc1 ZINC000516675686 1007223304 /nfs/dbraw/zinc/22/33/04/1007223304.db2.gz PANMOFBJWDUNNS-GOSISDBHSA-N 0 2 413.861 3.533 20 0 HHADLN CC(C)n1cc(S(=O)(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cn1 ZINC000532879361 1007263905 /nfs/dbraw/zinc/26/39/05/1007263905.db2.gz WQXYWWWVZHOVHG-UHFFFAOYSA-N 0 2 413.525 3.548 20 0 HHADLN C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535230057 1007282597 /nfs/dbraw/zinc/28/25/97/1007282597.db2.gz KCBYZKBYRRQWKX-CQSZACIVSA-N 0 2 417.494 3.819 20 0 HHADLN C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535230052 1007282685 /nfs/dbraw/zinc/28/26/85/1007282685.db2.gz KCBYZKBYRRQWKX-AWEZNQCLSA-N 0 2 417.494 3.819 20 0 HHADLN O=C(Nc1cccc(Cl)c1O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000532991765 1007363224 /nfs/dbraw/zinc/36/32/24/1007363224.db2.gz QUZOLOKRVBBWLS-UHFFFAOYSA-N 0 2 409.876 3.555 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1cccc(OC)c1OC ZINC000517004234 1007370611 /nfs/dbraw/zinc/37/06/11/1007370611.db2.gz PMAITGURMGOMJN-SFHVURJKSA-N 0 2 423.513 3.557 20 0 HHADLN CCN(CC)C(=O)Cn1ccc2cc(NS(=O)(=O)c3cc(C)c(C)s3)ccc21 ZINC000539115724 1007403680 /nfs/dbraw/zinc/40/36/80/1007403680.db2.gz ZOPCDCBVCFAVDJ-UHFFFAOYSA-N 0 2 419.572 3.989 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN4CCc5ccc(O)cc5C4)nc(=O)c3s2)cc1 ZINC000533071202 1007433833 /nfs/dbraw/zinc/43/38/33/1007433833.db2.gz JSKRTJAAVOQIDW-UHFFFAOYSA-N 0 2 419.506 3.924 20 0 HHADLN Cc1ccccc1S(=O)(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 ZINC000535385212 1007449217 /nfs/dbraw/zinc/44/92/17/1007449217.db2.gz WJYRTDZFDBEDGR-UHFFFAOYSA-N 0 2 411.405 3.939 20 0 HHADLN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000539191788 1007491152 /nfs/dbraw/zinc/49/11/52/1007491152.db2.gz FFXORSSXHAVVCV-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1cnc([C@@H]2CCCO2)s1 ZINC000535565179 1007596290 /nfs/dbraw/zinc/59/62/90/1007596290.db2.gz WHVOAOJAGDQHMS-NSHDSACASA-N 0 2 420.292 3.795 20 0 HHADLN COc1ncccc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000533327066 1007638075 /nfs/dbraw/zinc/63/80/75/1007638075.db2.gz FKMKZABGMRBSQJ-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cccc2ncccc21 ZINC000535655285 1007668559 /nfs/dbraw/zinc/66/85/59/1007668559.db2.gz NRBQRXZHQIRDPZ-UHFFFAOYSA-N 0 2 410.373 3.841 20 0 HHADLN Cc1ccc(Cn2nccc2NS(=O)(=O)c2ccc(Br)c(C)c2)o1 ZINC000517615224 1007820841 /nfs/dbraw/zinc/82/08/41/1007820841.db2.gz VFBOYTLKOLWBHE-UHFFFAOYSA-N 0 2 410.293 3.705 20 0 HHADLN COc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cc(C)oc2C)c1 ZINC000539550482 1007863201 /nfs/dbraw/zinc/86/32/01/1007863201.db2.gz AOYQCKOUPGTBAA-UHFFFAOYSA-N 0 2 400.456 3.958 20 0 HHADLN CCCc1cnc(NS(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)s1 ZINC000539554577 1007867793 /nfs/dbraw/zinc/86/77/93/1007867793.db2.gz BOZICKZIXDVRCY-UHFFFAOYSA-N 0 2 409.867 3.786 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000517663338 1007876803 /nfs/dbraw/zinc/87/68/03/1007876803.db2.gz YSGVHFPUAYFPNL-UHFFFAOYSA-N 0 2 410.517 3.629 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCO[C@H](Cc4ccccc4)C3)=N2)cc1 ZINC000539583084 1007900503 /nfs/dbraw/zinc/90/05/03/1007900503.db2.gz QECNBQKVGGBTGT-OAQYLSRUSA-N 0 2 405.498 3.785 20 0 HHADLN CC(C)Oc1ccc(NS(=O)(=O)c2cc(Cl)cnc2N)c(C(F)(F)F)c1 ZINC000533624787 1007927751 /nfs/dbraw/zinc/92/77/51/1007927751.db2.gz LFSCJYNFTXAHSW-UHFFFAOYSA-N 0 2 409.817 3.924 20 0 HHADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3cccc(C)c3Br)o2)s1 ZINC000517843078 1008007285 /nfs/dbraw/zinc/00/72/85/1008007285.db2.gz UCKDHAVZXGDIPD-UHFFFAOYSA-N 0 2 414.306 3.978 20 0 HHADLN CC(=O)c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3Br)c2)cc1 ZINC000533691068 1008014547 /nfs/dbraw/zinc/01/45/47/1008014547.db2.gz MZOAEARNEHEIMI-UHFFFAOYSA-N 0 2 420.288 3.638 20 0 HHADLN Cc1ocnc1C(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000517893779 1008041689 /nfs/dbraw/zinc/04/16/89/1008041689.db2.gz PYAHJDKZKPNTHQ-UHFFFAOYSA-N 0 2 409.826 3.829 20 0 HHADLN CC(=O)CCc1ccc2oc(C(=O)N=c3nc(-c4cccnc4)[nH]s3)c(C)c2c1 ZINC000533728681 1008055229 /nfs/dbraw/zinc/05/52/29/1008055229.db2.gz XXLVBHJJUUPVKP-UHFFFAOYSA-N 0 2 406.467 3.851 20 0 HHADLN Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)cc1F ZINC000539764248 1008079017 /nfs/dbraw/zinc/07/90/17/1008079017.db2.gz AHNMJRNCEJTNTA-IBGZPJMESA-N 0 2 413.541 3.796 20 0 HHADLN CN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)c1nccs1 ZINC000539845921 1008135922 /nfs/dbraw/zinc/13/59/22/1008135922.db2.gz VZYJQRNHNJXYJN-UHFFFAOYSA-N 0 2 423.903 3.580 20 0 HHADLN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)Nc2ncc(C(C)C)s2)s1 ZINC000539854642 1008142607 /nfs/dbraw/zinc/14/26/07/1008142607.db2.gz FBSHVJMJWPPXNO-UHFFFAOYSA-N 0 2 415.606 3.834 20 0 HHADLN O=C(CCNS(=O)(=O)c1ccccc1Cl)Nc1cc(Cl)cc(Cl)c1O ZINC000539957177 1008205342 /nfs/dbraw/zinc/20/53/42/1008205342.db2.gz BLBGQLIUWXJDAC-UHFFFAOYSA-N 0 2 423.705 3.660 20 0 HHADLN Cc1cc(C)n(-c2ccc(C(=O)N=c3nc(-c4ccccc4Cl)[nH]s3)cn2)n1 ZINC000518369573 1008279119 /nfs/dbraw/zinc/27/91/19/1008279119.db2.gz XIGBNNHOSIXTOB-UHFFFAOYSA-N 0 2 410.890 3.730 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)sc1C ZINC000540211757 1008337514 /nfs/dbraw/zinc/33/75/14/1008337514.db2.gz YYCDTBZDIAXDEN-UHFFFAOYSA-N 0 2 401.575 3.879 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N[C@H](C)C2CCN(CC(F)(F)F)CC2)=N1 ZINC000518553902 1008345986 /nfs/dbraw/zinc/34/59/86/1008345986.db2.gz NWKWEVGAHYXXCU-CQSZACIVSA-N 0 2 424.467 3.533 20 0 HHADLN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2ncc(-c3ccccc3)s2)c1 ZINC000518587937 1008357054 /nfs/dbraw/zinc/35/70/54/1008357054.db2.gz LJIABAORMFNGPD-UHFFFAOYSA-N 0 2 422.553 3.631 20 0 HHADLN CC(C)S(=O)(=O)c1ccccc1NS(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000540330646 1008383404 /nfs/dbraw/zinc/38/34/04/1008383404.db2.gz FJZFFFWTUAXZHY-UHFFFAOYSA-N 0 2 421.462 3.829 20 0 HHADLN Cc1cc(C(=O)NC2CCCC2)ccc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000519061043 1008514535 /nfs/dbraw/zinc/51/45/35/1008514535.db2.gz AKQUHIKCSPEKOV-UHFFFAOYSA-N 0 2 424.526 3.654 20 0 HHADLN CCc1nc2cc(S(=O)(=O)N3CCC[C@@H]3c3nc(-c4ccccc4)n[nH]3)ccc2o1 ZINC000542980676 1008556869 /nfs/dbraw/zinc/55/68/69/1008556869.db2.gz KEYCWPPBAYCRQC-QGZVFWFLSA-N 0 2 423.498 3.701 20 0 HHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000545445158 1008558190 /nfs/dbraw/zinc/55/81/90/1008558190.db2.gz OFXMZCCHOMLKHN-UHFFFAOYSA-N 0 2 415.298 3.640 20 0 HHADLN O=C(CNC(=O)c1ccccc1OC(F)F)Nc1cc(Cl)cc(Cl)c1O ZINC000545446944 1008559978 /nfs/dbraw/zinc/55/99/78/1008559978.db2.gz BWGUJJXMQBVYFK-UHFFFAOYSA-N 0 2 405.184 3.669 20 0 HHADLN CC(=O)Nc1ccc2nc(NS(=O)(=O)c3c(C)nn(CC(C)C)c3C)sc2c1 ZINC000543146188 1008719133 /nfs/dbraw/zinc/71/91/33/1008719133.db2.gz DIOCMCYOHLMWEB-UHFFFAOYSA-N 0 2 421.548 3.525 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)[N-]c2cccc3c2C[N@H+](CCC(C)C)C3)oc1C ZINC000543146952 1008720319 /nfs/dbraw/zinc/72/03/19/1008720319.db2.gz JDTSZZBAWXUOAZ-UHFFFAOYSA-N 0 2 406.504 3.537 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)[N-]c2cccc3c2C[N@@H+](CCC(C)C)C3)oc1C ZINC000543146952 1008720332 /nfs/dbraw/zinc/72/03/32/1008720332.db2.gz JDTSZZBAWXUOAZ-UHFFFAOYSA-N 0 2 406.504 3.537 20 0 HHADLN CCOC(=O)COc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000543165442 1008741864 /nfs/dbraw/zinc/74/18/64/1008741864.db2.gz CSNVMLMURARJID-UHFFFAOYSA-N 0 2 410.300 3.798 20 0 HHADLN CCOC(=O)COc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000543166826 1008743619 /nfs/dbraw/zinc/74/36/19/1008743619.db2.gz USOCYYOFBUBLTR-UHFFFAOYSA-N 0 2 421.368 3.587 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(CCc3ccccc3)[C@@H]3CCOC3)s[nH]2)c1 ZINC000543615206 1009220042 /nfs/dbraw/zinc/22/00/42/1009220042.db2.gz UTAXFAUMFRBOLN-GOSISDBHSA-N 0 2 424.526 3.501 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](C)[C@@H](OC)c3ccccc3F)s[nH]2)c1 ZINC000543615512 1009220654 /nfs/dbraw/zinc/22/06/54/1009220654.db2.gz WWUMESIVMKRPRK-SJKOYZFVSA-N 0 2 416.478 3.672 20 0 HHADLN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000543651356 1009256193 /nfs/dbraw/zinc/25/61/93/1009256193.db2.gz ACLSBQOTWBLYPL-ZDUSSCGKSA-N 0 2 417.926 3.652 20 0 HHADLN CC(=O)N1CCc2cc(NC(=O)N=c3nc(-c4ccccc4Cl)[nH]s3)ccc21 ZINC000543657889 1009265503 /nfs/dbraw/zinc/26/55/03/1009265503.db2.gz RUNPJCDBYIWSRQ-UHFFFAOYSA-N 0 2 413.890 3.833 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000543658547 1009266795 /nfs/dbraw/zinc/26/67/95/1009266795.db2.gz VJGGDNHRJKSSSJ-KFWWJZLASA-N 0 2 404.923 3.750 20 0 HHADLN CC(=O)CCc1ccc(O[C@@H](C)C(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1 ZINC000520221726 1009348896 /nfs/dbraw/zinc/34/88/96/1009348896.db2.gz ULSLJOCMCYNVNA-ZDUSSCGKSA-N 0 2 401.513 3.616 20 0 HHADLN Cc1c(C=C(O)Nc2nc(-c3ccccc3Cl)ns2)nnn1-c1ccc(C)cc1 ZINC000520320257 1009448733 /nfs/dbraw/zinc/44/87/33/1009448733.db2.gz SATNZDXSUKTBIP-UHFFFAOYSA-N 0 2 424.917 3.659 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000549845951 1009461003 /nfs/dbraw/zinc/46/10/03/1009461003.db2.gz CXYOFDIHGUANHA-UHFFFAOYSA-N 0 2 421.501 3.542 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000543912415 1009500332 /nfs/dbraw/zinc/50/03/32/1009500332.db2.gz QBAYFXATAJKBGX-UHFFFAOYSA-N 0 2 417.405 3.869 20 0 HHADLN O=S(=O)(Cc1ccc(F)cc1)Nc1ccccc1S(=O)(=O)Nc1ccccc1 ZINC000546628586 1009638635 /nfs/dbraw/zinc/63/86/35/1009638635.db2.gz OWMDRLFPESIOEH-UHFFFAOYSA-N 0 2 420.487 3.568 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccn(-c4ccc(F)cc4C)n3)s[nH]2)c1 ZINC000544038470 1009640964 /nfs/dbraw/zinc/64/09/64/1009640964.db2.gz XZVLEJBWBGMHRJ-UHFFFAOYSA-N 0 2 409.446 3.521 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000544075957 1009681010 /nfs/dbraw/zinc/68/10/10/1009681010.db2.gz QCSSGCJDIQXTNK-UHFFFAOYSA-N 0 2 424.530 3.666 20 0 HHADLN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NS(=O)(=O)c1cc(F)ccc1F ZINC000520617271 1009694437 /nfs/dbraw/zinc/69/44/37/1009694437.db2.gz WXSRGUDZKOJCEH-ZDUSSCGKSA-N 0 2 408.470 3.946 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1cnc(OCC(C)C)c(Cl)c1 ZINC000550100065 1009701312 /nfs/dbraw/zinc/70/13/12/1009701312.db2.gz XPGFEDBZAPGREN-UHFFFAOYSA-N 0 2 401.854 3.821 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c(Cl)c1 ZINC000520644078 1009718596 /nfs/dbraw/zinc/71/85/96/1009718596.db2.gz RHLBWJPZJPESOI-MRXNPFEDSA-N 0 2 407.879 3.877 20 0 HHADLN COc1ccc(Oc2ccc(CCNS(=O)(=O)[C@@H](C)C(F)(F)F)cc2)cc1 ZINC000546779910 1009745657 /nfs/dbraw/zinc/74/56/57/1009745657.db2.gz XLHUUAXYZFPAAM-ZDUSSCGKSA-N 0 2 403.422 3.900 20 0 HHADLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cccc(COC2CCCCC2)c1 ZINC000520702413 1009770758 /nfs/dbraw/zinc/77/07/58/1009770758.db2.gz JBWLPNRWZMXNSE-UHFFFAOYSA-N 0 2 423.556 3.740 20 0 HHADLN Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2O)cnn1CCO[C@H]1CCCCO1 ZINC000546858161 1009819860 /nfs/dbraw/zinc/81/98/60/1009819860.db2.gz YIKWQAREOBUYOH-INIZCTEOSA-N 0 2 414.289 3.999 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1C ZINC000550419740 1009922504 /nfs/dbraw/zinc/92/25/04/1009922504.db2.gz KCHXPEPWWRLZJU-ZDUSSCGKSA-N 0 2 409.577 3.801 20 0 HHADLN O=C(CCc1nnc(-c2ccsc2)o1)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000520971025 1010014849 /nfs/dbraw/zinc/01/48/49/1010014849.db2.gz TZBHFGBERSLQLR-UHFFFAOYSA-N 0 2 417.903 3.963 20 0 HHADLN Cc1noc(C)c1NS(=O)(=O)c1cc(Br)ccc1Br ZINC000521050057 1010074368 /nfs/dbraw/zinc/07/43/68/1010074368.db2.gz QSEODPUDMKYZHU-UHFFFAOYSA-N 0 2 410.087 3.617 20 0 HHADLN O=C(N=c1nc(Sc2ccccc2)[n-]s1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000521118433 1010139804 /nfs/dbraw/zinc/13/98/04/1010139804.db2.gz UPSNFBZJGSSYQN-HNNXBMFYSA-N 0 2 415.544 3.663 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000550814999 1010198640 /nfs/dbraw/zinc/19/86/40/1010198640.db2.gz QWOAUEFGKRBSEI-UHFFFAOYSA-N 0 2 417.512 3.502 20 0 HHADLN COc1ccc(CCc2nnc(NS(=O)(=O)c3cccc4c(C)ccnc43)o2)cc1 ZINC000521183593 1010216041 /nfs/dbraw/zinc/21/60/41/1010216041.db2.gz OFVMJZHBEOEOIY-UHFFFAOYSA-N 0 2 424.482 3.521 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](C)c3cccc(-n4cccn4)c3)s[nH]2)c1 ZINC000544590207 1010216650 /nfs/dbraw/zinc/21/66/50/1010216650.db2.gz AYGMNDPPXJQIDR-AWEZNQCLSA-N 0 2 420.498 3.704 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1cccnc1Nc1ccc(C)cc1 ZINC000547273088 1010218901 /nfs/dbraw/zinc/21/89/01/1010218901.db2.gz JFQGZSAWQHLLTQ-UHFFFAOYSA-N 0 2 413.499 3.960 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2)cc1F ZINC000547336269 1010258155 /nfs/dbraw/zinc/25/81/55/1010258155.db2.gz BCSQWZLKAGTOQH-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000544636371 1010260210 /nfs/dbraw/zinc/26/02/10/1010260210.db2.gz LXYVTNXHQDYHIC-LBPRGKRZSA-N 0 2 420.844 3.856 20 0 HHADLN CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000544637526 1010261318 /nfs/dbraw/zinc/26/13/18/1010261318.db2.gz TWNSIKSOJFPKNI-CYBMUJFWSA-N 0 2 417.926 3.652 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000544637007 1010261478 /nfs/dbraw/zinc/26/14/78/1010261478.db2.gz HVAPFLZOKSZXAU-INIZCTEOSA-N 0 2 416.890 3.591 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@@H]1CCCC[C@@H]1n1cccn1 ZINC000544638982 1010263802 /nfs/dbraw/zinc/26/38/02/1010263802.db2.gz WUIROBTZTMVZAM-CABCVRRESA-N 0 2 402.911 3.782 20 0 HHADLN COCCOc1ccc(NS(=O)(=O)c2c3ccccc3sc2C(=O)OC)cc1 ZINC000521340939 1010316950 /nfs/dbraw/zinc/31/69/50/1010316950.db2.gz JBNJHKNHSDJJDB-UHFFFAOYSA-N 0 2 421.496 3.514 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)c2ccccc2n1C ZINC000551017290 1010318803 /nfs/dbraw/zinc/31/88/03/1010318803.db2.gz HQZIJUWONBAYFK-UHFFFAOYSA-N 0 2 420.494 3.935 20 0 HHADLN COc1cc(Cl)c(S(=O)(=O)Nc2nsc(-c3ccccc3)n2)cc1OC ZINC000551019796 1010320981 /nfs/dbraw/zinc/32/09/81/1010320981.db2.gz DHCQWAHMRAUPEA-UHFFFAOYSA-N 0 2 411.892 3.677 20 0 HHADLN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000551107799 1010373781 /nfs/dbraw/zinc/37/37/81/1010373781.db2.gz DSWGIDKCIOZPPK-UHFFFAOYSA-N 0 2 421.906 3.641 20 0 HHADLN CCCNc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000521472725 1010393542 /nfs/dbraw/zinc/39/35/42/1010393542.db2.gz BXZUSGFIQZBNKE-UHFFFAOYSA-N 0 2 412.384 3.790 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cccc3c(C)ccnc32)nc1C(C)(C)C ZINC000547955321 1010482243 /nfs/dbraw/zinc/48/22/43/1010482243.db2.gz BZQQYTPIMIPFPO-UHFFFAOYSA-N 0 2 419.528 3.885 20 0 HHADLN O=C1CCCN1Cc1cccc(-c2noc(-c3cccc(Br)c3O)n2)c1 ZINC000544982235 1010534393 /nfs/dbraw/zinc/53/43/93/1010534393.db2.gz AUEAKWDVCQOVSL-UHFFFAOYSA-N 0 2 414.259 3.994 20 0 HHADLN COCn1nc(C)c(S(=O)(=O)Nc2ccc3oc(CC(C)(C)C)nc3c2)c1C ZINC000551385789 1010553774 /nfs/dbraw/zinc/55/37/74/1010553774.db2.gz PJUBHKWIVZRUJQ-UHFFFAOYSA-N 0 2 406.508 3.634 20 0 HHADLN COCn1nc(C)c(S(=O)(=O)Nc2ccc(OC(C)C)cc2C(F)(F)F)c1C ZINC000551388305 1010555526 /nfs/dbraw/zinc/55/55/26/1010555526.db2.gz HFSKBYALSHEZPV-UHFFFAOYSA-N 0 2 421.441 3.711 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2F)s1)c1cc(Cl)ccc1F ZINC000551389691 1010555936 /nfs/dbraw/zinc/55/59/36/1010555936.db2.gz LZYMQLFZJKLOIZ-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc(Cl)c2C)c1OC ZINC000551477222 1010611504 /nfs/dbraw/zinc/61/15/04/1010611504.db2.gz JYBUDOADUJXWPP-UHFFFAOYSA-N 0 2 404.271 3.898 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@@H]1CCCOc2ccc(F)cc21 ZINC000548508129 1010649901 /nfs/dbraw/zinc/64/99/01/1010649901.db2.gz QVLPZHPVRRBBMJ-CYBMUJFWSA-N 0 2 402.451 3.591 20 0 HHADLN COC(=O)Cc1sc(NS(=O)(=O)Cc2cccc(C)c2)nc1-c1ccccc1 ZINC000545151883 1010650686 /nfs/dbraw/zinc/65/06/86/1010650686.db2.gz FHUFASOJWQMLOQ-UHFFFAOYSA-N 0 2 416.524 3.776 20 0 HHADLN COCCCN1Cc2cccc(NS(=O)(=O)c3cccc4c(C)ccnc43)c2C1 ZINC000548608158 1010679938 /nfs/dbraw/zinc/67/99/38/1010679938.db2.gz ZJSCIBHLVSSYDY-UHFFFAOYSA-N 0 2 411.527 3.696 20 0 HHADLN COC(=O)c1cc(C)nc2nc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)sc21 ZINC000521888607 1010688454 /nfs/dbraw/zinc/68/84/54/1010688454.db2.gz ACLRLYKGUFNWIQ-UHFFFAOYSA-N 0 2 419.528 3.885 20 0 HHADLN O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000521890385 1010689634 /nfs/dbraw/zinc/68/96/34/1010689634.db2.gz ATNVLLSEQFLTDU-UHFFFAOYSA-N 0 2 422.445 3.501 20 0 HHADLN COC(=O)[C@@H](C)CSCc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[nH]1 ZINC000522331063 1010935087 /nfs/dbraw/zinc/93/50/87/1010935087.db2.gz LWFIYWORMXSQBU-NSHDSACASA-N 0 2 404.513 3.703 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)NCC2(c3cccc(Cl)c3)CCOCC2)s[nH]1 ZINC000522619768 1011118183 /nfs/dbraw/zinc/11/81/83/1011118183.db2.gz ZUIIUICDCPYCJN-UHFFFAOYSA-N 0 2 408.955 3.781 20 0 HHADLN O=S(=O)(Nc1cccc2c1CN(c1nccs1)C2)c1cc(F)c(F)cc1F ZINC000536119454 1011238401 /nfs/dbraw/zinc/23/84/01/1011238401.db2.gz ZVHFRVBPPWAKRX-UHFFFAOYSA-N 0 2 411.430 3.881 20 0 HHADLN CCOC(=O)[C@@H](C(=O)CSc1ncccc1Br)c1nc(C)cs1 ZINC000522849875 1011290029 /nfs/dbraw/zinc/29/00/29/1011290029.db2.gz JDPPOBWYRUCDJL-LBPRGKRZSA-N 0 2 415.334 3.617 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cccc(Cl)c2Cl)nc1C1CC1 ZINC000536180751 1011315461 /nfs/dbraw/zinc/31/54/61/1011315461.db2.gz YSUQTEABDONAHC-UHFFFAOYSA-N 0 2 407.300 3.915 20 0 HHADLN O=C([O-])[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540664052 1011318338 /nfs/dbraw/zinc/31/83/38/1011318338.db2.gz FJZQRVOPXYWOPN-QGZVFWFLSA-N 0 2 404.253 3.605 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)nc1C1CC1 ZINC000536183688 1011319828 /nfs/dbraw/zinc/31/98/28/1011319828.db2.gz JNNOPTUJLDXYID-UHFFFAOYSA-N 0 2 422.406 3.507 20 0 HHADLN Cc1cccc(C)c1CC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000540771093 1011427184 /nfs/dbraw/zinc/42/71/84/1011427184.db2.gz DWBUXZKIJGKVSA-UHFFFAOYSA-N 0 2 401.513 3.742 20 0 HHADLN CSc1ccccc1CC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000540771624 1011428550 /nfs/dbraw/zinc/42/85/50/1011428550.db2.gz TXJPXUTWBDSFCX-UHFFFAOYSA-N 0 2 419.553 3.847 20 0 HHADLN CC(=O)c1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)nc1 ZINC000536301570 1011490893 /nfs/dbraw/zinc/49/08/93/1011490893.db2.gz DWTJKVGGECNZBK-UHFFFAOYSA-N 0 2 423.210 3.866 20 0 HHADLN CC(C)[C@@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccc(Cl)cc1F ZINC000541040103 1011676507 /nfs/dbraw/zinc/67/65/07/1011676507.db2.gz XVXLDJHGFAGABN-CYBMUJFWSA-N 0 2 412.918 3.502 20 0 HHADLN Cc1nccn1C[C@H](C)CNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000536482119 1011694514 /nfs/dbraw/zinc/69/45/14/1011694514.db2.gz OFMBZPVMHAJBGD-WIBUTAKZSA-N 0 2 421.948 3.612 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCC3)c1C1CC1 ZINC000536499606 1011706088 /nfs/dbraw/zinc/70/60/88/1011706088.db2.gz WQMZRCRIWNCTNG-CQSZACIVSA-N 0 2 416.547 3.831 20 0 HHADLN COc1ccnc2c(NS(=O)(=O)c3ccc(F)cc3Br)cccc12 ZINC000536612747 1011771421 /nfs/dbraw/zinc/77/14/21/1011771421.db2.gz MRYIRTXTUCHWJF-UHFFFAOYSA-N 0 2 411.252 3.946 20 0 HHADLN CCCN(CC1CCCCC1)C(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 ZINC000523445791 1011941596 /nfs/dbraw/zinc/94/15/96/1011941596.db2.gz DSASOZCRARDDLT-UHFFFAOYSA-N 0 2 424.592 3.715 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccncc2)ns1)c1c(Cl)cc(Cl)cc1Cl ZINC000541285744 1011981465 /nfs/dbraw/zinc/98/14/65/1011981465.db2.gz CRWNMOSQTLYWED-UHFFFAOYSA-N 0 2 421.718 3.783 20 0 HHADLN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncn(C3CCCCC3)n2)cc1 ZINC000541290619 1011990010 /nfs/dbraw/zinc/99/00/10/1011990010.db2.gz HXJBQDZYEFZODZ-UHFFFAOYSA-N 0 2 405.524 3.569 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1cccc(OCC(F)(F)F)n1 ZINC000523503459 1012025683 /nfs/dbraw/zinc/02/56/83/1012025683.db2.gz WOUKUUXDZPALKS-UHFFFAOYSA-N 0 2 414.796 3.869 20 0 HHADLN Cc1cccc([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000523509646 1012034125 /nfs/dbraw/zinc/03/41/25/1012034125.db2.gz NNEYMPCPULHYQX-AWEZNQCLSA-N 0 2 401.513 3.995 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)NCc3ccc(C[S@](C)=O)cc3)=N2)c1 ZINC000552129437 1012147893 /nfs/dbraw/zinc/14/78/93/1012147893.db2.gz RDBAACZVJRBUDI-LJAQVGFWSA-N 0 2 411.527 3.510 20 0 HHADLN Cc1oc(C(C)C)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000552133671 1012152419 /nfs/dbraw/zinc/15/24/19/1012152419.db2.gz KKMLDNAZIQTJFS-UHFFFAOYSA-N 0 2 406.489 3.616 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cc(Br)cc2cccnc21 ZINC000552281436 1012293912 /nfs/dbraw/zinc/29/39/12/1012293912.db2.gz VZFDVZVBOIDSBY-UHFFFAOYSA-N 0 2 410.231 3.740 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000552281142 1012294679 /nfs/dbraw/zinc/29/46/79/1012294679.db2.gz INAFZZNWIMIKFT-UHFFFAOYSA-N 0 2 411.465 3.992 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cn(-c2ccc(Cl)c(Cl)c2)cn1 ZINC000552287564 1012299224 /nfs/dbraw/zinc/29/92/24/1012299224.db2.gz JSLKSBRRQXPKJY-UHFFFAOYSA-N 0 2 415.240 3.922 20 0 HHADLN C[S@](=O)Cc1cccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 ZINC000523726025 1012339309 /nfs/dbraw/zinc/33/93/09/1012339309.db2.gz DLJDBUWMOFHSDC-VWLOTQADSA-N 0 2 418.316 3.970 20 0 HHADLN C[C@@H](NCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1)c1nnc2ccccn21 ZINC000552401700 1012413161 /nfs/dbraw/zinc/41/31/61/1012413161.db2.gz GPYVFHNWPSRRLU-GFCCVEGCSA-N 0 2 420.473 3.684 20 0 HHADLN CCCc1c(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cnn1Cc1ccccc1 ZINC000552597726 1012598694 /nfs/dbraw/zinc/59/86/94/1012598694.db2.gz FFNFZAKEWKKNEN-UHFFFAOYSA-N 0 2 402.458 3.627 20 0 HHADLN CCc1c(C)nn(-c2cccc(C(=O)Nc3cccc(-c4n[nH]c(=O)[nH]4)c3)c2)c1C ZINC000552604061 1012604024 /nfs/dbraw/zinc/60/40/24/1012604024.db2.gz OGPACBRDXYDEGY-UHFFFAOYSA-N 0 2 402.458 3.795 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cc2ccccc2n1CC(F)(F)F ZINC000552605079 1012605415 /nfs/dbraw/zinc/60/54/15/1012605415.db2.gz LXRNLKPVQXMRDV-UHFFFAOYSA-N 0 2 401.348 3.947 20 0 HHADLN CC[C@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)CC1=O ZINC000552605265 1012607081 /nfs/dbraw/zinc/60/70/81/1012607081.db2.gz VPBRVKKERXPALX-GOEBONIOSA-N 0 2 419.485 3.682 20 0 HHADLN COc1ccc([C@@H]2CCN(C(=O)N=c3nc(-c4cccc(OC)c4)[nH]s3)C2)cc1 ZINC000541755431 1012615762 /nfs/dbraw/zinc/61/57/62/1012615762.db2.gz QCUZJVLGJRREQG-MRXNPFEDSA-N 0 2 410.499 3.666 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCc4c(F)ccc(F)c4C3)s[nH]2)c1 ZINC000541758545 1012619138 /nfs/dbraw/zinc/61/91/38/1012619138.db2.gz JPXBNXHAOCPKES-UHFFFAOYSA-N 0 2 402.426 3.504 20 0 HHADLN C[S@@](=O)C[C@@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccccc1 ZINC000541796766 1012671884 /nfs/dbraw/zinc/67/18/84/1012671884.db2.gz OAEMUYMBKWRFEG-YVORESIASA-N 0 2 420.947 3.522 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc3c(c2)CCCO3)nc1C1CCCC1 ZINC000541825987 1012712150 /nfs/dbraw/zinc/71/21/50/1012712150.db2.gz JICXBNVQFZVVSS-UHFFFAOYSA-N 0 2 422.528 3.713 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cnc(N2CCCC[C@H]2C)c(C)c1 ZINC000541858495 1012740553 /nfs/dbraw/zinc/74/05/53/1012740553.db2.gz VWINPIYMNQBPHC-OAHLLOKOSA-N 0 2 405.568 3.964 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2c(C)c(C)nn2-c2ccc(Cl)c(Cl)c2)cn1 ZINC000524023797 1012770694 /nfs/dbraw/zinc/77/06/94/1012770694.db2.gz IMUVOLXMGFILIG-UHFFFAOYSA-N 0 2 414.318 3.813 20 0 HHADLN Cc1cccc(C)c1CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000537390024 1012870348 /nfs/dbraw/zinc/87/03/48/1012870348.db2.gz RNIUWGINAORUKS-UHFFFAOYSA-N 0 2 401.513 3.742 20 0 HHADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2cnccc2-c2cccc(F)c2)c1 ZINC000542002601 1012882997 /nfs/dbraw/zinc/88/29/97/1012882997.db2.gz DPOZTLXTFMAIBB-UHFFFAOYSA-N 0 2 404.394 3.614 20 0 HHADLN O=S(=O)(Nc1ncn(-c2ccccc2)n1)c1ccc(C(F)(F)F)cc1Cl ZINC000542003044 1012884635 /nfs/dbraw/zinc/88/46/35/1012884635.db2.gz SWWZKSWRVBXABA-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000552999347 1012974772 /nfs/dbraw/zinc/97/47/72/1012974772.db2.gz AENJVJHVLYHTOV-DLBZAZTESA-N 0 2 417.487 3.825 20 0 HHADLN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)c1 ZINC000760267203 1071810815 /nfs/dbraw/zinc/81/08/15/1071810815.db2.gz CFNVPBORCHOEHX-UHFFFAOYSA-N 0 2 421.853 3.718 20 0 HHADLN COc1cccc(-c2nsc(NS(=O)(=O)c3ccc(Cl)cc3Cl)n2)c1 ZINC000569763934 1072045519 /nfs/dbraw/zinc/04/55/19/1072045519.db2.gz NUMIUOAECRKQRI-UHFFFAOYSA-N 0 2 416.311 3.743 20 0 HHADLN CCc1ccccc1S(=O)(=O)Nc1ccccc1S(=O)(=O)Nc1ccccc1 ZINC000488230196 1072139865 /nfs/dbraw/zinc/13/98/65/1072139865.db2.gz KETYPPIXDJAUDU-UHFFFAOYSA-N 0 2 416.524 3.851 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(COC3CCCC3)cc2)c(OC)c1 ZINC000488227543 1072147902 /nfs/dbraw/zinc/14/79/02/1072147902.db2.gz XFHOHTPIJMJSEX-UHFFFAOYSA-N 0 2 421.515 3.972 20 0 HHADLN O=C(N[C@H]1CCCc2occc21)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000913090550 1072327012 /nfs/dbraw/zinc/32/70/12/1072327012.db2.gz OFVMBAWFWOSWQL-KRWDZBQOSA-N 0 2 421.478 3.727 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cc(OC)c(OC)cc2Cl)cc1C ZINC000570896733 1072407701 /nfs/dbraw/zinc/40/77/01/1072407701.db2.gz RINDIDQXLGVSKW-UHFFFAOYSA-N 0 2 419.908 3.705 20 0 HHADLN C[C@@H](Cc1cn(C)c2ccc(F)cc12)NS(=O)(=O)c1onc(C2CC2)c1Cl ZINC001212144644 1072515875 /nfs/dbraw/zinc/51/58/75/1072515875.db2.gz BYRSOUOEHPHXKO-JTQLQIEISA-N 0 2 411.886 3.746 20 0 HHADLN CCCCn1cc(C(=O)NCC[C@@H]2C(=O)N(Cc3ccccc3C)N=C2CC)c(C)n1 ZINC000571721082 1072710797 /nfs/dbraw/zinc/71/07/97/1072710797.db2.gz MXHNXFGEOSEHSU-FQEVSTJZSA-N 0 2 423.561 3.845 20 0 HHADLN O=S(=O)(Nc1noc(-c2ccc(Cl)cc2)n1)c1ccc(CC(F)(F)F)cc1 ZINC000571729850 1072714432 /nfs/dbraw/zinc/71/44/32/1072714432.db2.gz FWCROJSRTANMGD-UHFFFAOYSA-N 0 2 417.796 4.296 20 0 HHADLN O=S(=O)(Nc1cccnc1N1CCCCC1)c1ccc(F)cc1Br ZINC000479133352 1072742965 /nfs/dbraw/zinc/74/29/65/1072742965.db2.gz LZNCIKUSTYKFGN-UHFFFAOYSA-N 0 2 414.300 3.774 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1nc2c(cccc2Cl)s1 ZINC000479143913 1072765833 /nfs/dbraw/zinc/76/58/33/1072765833.db2.gz VRWOWTKCEZKVLU-UHFFFAOYSA-N 0 2 400.865 3.693 20 0 HHADLN Cc1cc(C2CC2)nc(NS(=O)(=O)c2ccc(Br)cc2Cl)n1 ZINC000479143589 1072766206 /nfs/dbraw/zinc/76/62/06/1072766206.db2.gz UZWRVKNGCVTYOI-UHFFFAOYSA-N 0 2 402.701 3.879 20 0 HHADLN COc1ccccc1-c1n[nH]c(NC(=O)c2csc(-c3ccc4c(c3)OCO4)n2)n1 ZINC000588090137 1072792373 /nfs/dbraw/zinc/79/23/73/1072792373.db2.gz DHXIKIIERRYCFC-UHFFFAOYSA-N 0 2 421.438 3.585 20 0 HHADLN COCc1nnc([C@@H]2CCCCN2C(=O)Nc2cc(F)c(OC(F)F)cc2F)[nH]1 ZINC000554934450 1072967127 /nfs/dbraw/zinc/96/71/27/1072967127.db2.gz PLMZEDVFLSMOKZ-LBPRGKRZSA-N 0 2 417.363 3.590 20 0 HHADLN COCc1nnc([C@H]2CCCCN2C(=O)Nc2cc(F)ccc2OCC2CC2)[nH]1 ZINC000554925982 1072973537 /nfs/dbraw/zinc/97/35/37/1072973537.db2.gz HURHTHYOMGVOSA-MRXNPFEDSA-N 0 2 403.458 3.638 20 0 HHADLN O=S(=O)(Nc1cccc(-c2nc[nH]n2)c1)c1c(Cl)cccc1C(F)(F)F ZINC000554954862 1073002323 /nfs/dbraw/zinc/00/23/23/1073002323.db2.gz ZXWJHFUSISUXOT-UHFFFAOYSA-N 0 2 402.785 3.945 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(OCC(F)F)c2)c(F)c1 ZINC000588632335 1073071172 /nfs/dbraw/zinc/07/11/72/1073071172.db2.gz IPMXUWMGMAPOSS-UHFFFAOYSA-N 0 2 402.394 3.537 20 0 HHADLN COc1ccccc1S(=O)(=O)Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F ZINC000555128817 1073178315 /nfs/dbraw/zinc/17/83/15/1073178315.db2.gz FMTDWDGTCXITQF-UHFFFAOYSA-N 0 2 415.368 3.840 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000572414354 1073256090 /nfs/dbraw/zinc/25/60/90/1073256090.db2.gz SHDCJHPVHUJROC-GJZGRUSLSA-N 0 2 404.923 3.846 20 0 HHADLN Cc1ccsc1CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000555223387 1073263707 /nfs/dbraw/zinc/26/37/07/1073263707.db2.gz CQIYRXMRONPAQC-UHFFFAOYSA-N 0 2 407.542 3.586 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2cnn(CC(C)C)c2C2CC2)ccc1C ZINC000588853803 1073308731 /nfs/dbraw/zinc/30/87/31/1073308731.db2.gz ALNMUZXGIFJFPK-UHFFFAOYSA-N 0 2 405.520 3.702 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1cccnc1NC(C)C ZINC000555295314 1073325984 /nfs/dbraw/zinc/32/59/84/1073325984.db2.gz LIJYBSNQXHQUIE-LJQANCHMSA-N 0 2 421.545 3.755 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc3c(ccc4ccccc34)s2)c(C)o1 ZINC000555415084 1073438302 /nfs/dbraw/zinc/43/83/02/1073438302.db2.gz BSBMZADOSRAJAZ-UHFFFAOYSA-N 0 2 402.453 3.938 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)CSc1ccc(C(F)(F)F)cn1 ZINC000555537444 1073600987 /nfs/dbraw/zinc/60/09/87/1073600987.db2.gz GALADUQUNVAZLK-UHFFFAOYSA-N 0 2 409.393 3.630 20 0 HHADLN O=C(c1ccc(Br)cc1C(F)(F)F)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000555536682 1073601772 /nfs/dbraw/zinc/60/17/72/1073601772.db2.gz VKXLJYONDUZGSN-QMMMGPOBSA-N 0 2 420.185 3.576 20 0 HHADLN O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000555557756 1073625092 /nfs/dbraw/zinc/62/50/92/1073625092.db2.gz BIIWRYNCOQQYJS-QLFBSQMISA-N 0 2 409.515 3.576 20 0 HHADLN COc1cc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)cc(OC)c1Br ZINC000590405188 1073790344 /nfs/dbraw/zinc/79/03/44/1073790344.db2.gz HVQJBGUGBVCFAX-UHFFFAOYSA-N 0 2 421.226 3.643 20 0 HHADLN CCc1nc2ccc(C(=O)N=c3nc(-c4cccc(OC)c4)[nH]s3)cc2nc1CC ZINC000590552565 1073890420 /nfs/dbraw/zinc/89/04/20/1073890420.db2.gz GSKZKJOZNIVRTR-UHFFFAOYSA-N 0 2 419.510 3.956 20 0 HHADLN O=S(=O)(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cnn(Cc2ccccc2)c1 ZINC000590530366 1073907804 /nfs/dbraw/zinc/90/78/04/1073907804.db2.gz QUVBVQWJRGNWQV-UHFFFAOYSA-N 0 2 413.890 3.571 20 0 HHADLN O=C(NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1cc(Cl)cs1 ZINC000760788214 1073960841 /nfs/dbraw/zinc/96/08/41/1073960841.db2.gz RIRZPCUBGSRKLJ-UHFFFAOYSA-N 0 2 411.870 3.542 20 0 HHADLN O=C(c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)N1CCC[C@H](C2OCCO2)C1 ZINC000760812234 1074165347 /nfs/dbraw/zinc/16/53/47/1074165347.db2.gz ZCNQCLVFZRWTRK-INIZCTEOSA-N 0 2 420.465 3.546 20 0 HHADLN CC(C)COC(=O)[C@H](C)NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000760854684 1074468993 /nfs/dbraw/zinc/46/89/93/1074468993.db2.gz PCUOJHPHTAXMLU-HNNXBMFYSA-N 0 2 408.454 3.638 20 0 HHADLN N=C1NC(=O)[C@H](CC(=O)NCc2ccccc2-c2ccc(Cl)cc2Cl)S1 ZINC000760881292 1074480471 /nfs/dbraw/zinc/48/04/71/1074480471.db2.gz QBBPJDQTRJUVCJ-HNNXBMFYSA-N 0 2 408.310 3.833 20 0 HHADLN O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccnc2OCc2ccccc2)cc1 ZINC000591683323 1074486235 /nfs/dbraw/zinc/48/62/35/1074486235.db2.gz RSOKOJDSFUCOLV-UHFFFAOYSA-N 0 2 423.494 3.588 20 0 HHADLN Cc1ccc(CS(=O)(=O)Nc2cccc(Cl)c2S(=O)(=O)C(C)C)c(F)c1 ZINC000573890537 1074671126 /nfs/dbraw/zinc/67/11/26/1074671126.db2.gz TZLYENSEQBYRKN-UHFFFAOYSA-N 0 2 419.927 3.912 20 0 HHADLN C[C@H](c1cccc(NC(=O)c2cccc(Br)c2[O-])c1)[NH+]1CCOCC1 ZINC000592871593 1075129045 /nfs/dbraw/zinc/12/90/45/1075129045.db2.gz CEAZVYFBCOHZOE-CYBMUJFWSA-N 0 2 405.292 3.800 20 0 HHADLN Cc1c(C(=O)N=c2nc(-c3ccccc3)[nH]s2)nnn1-c1ccc(F)c(Cl)c1 ZINC000595226924 1075417022 /nfs/dbraw/zinc/41/70/22/1075417022.db2.gz YUGLXDWPMAPZIL-UHFFFAOYSA-N 0 2 414.853 3.561 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000596897855 1075594556 /nfs/dbraw/zinc/59/45/56/1075594556.db2.gz SYUKQSJBYZSEOL-UHFFFAOYSA-N 0 2 412.540 3.747 20 0 HHADLN Cc1sc2nc(CCC(=O)N=c3nc(-c4ccsc4)[nH]s3)[nH]c(=O)c2c1C ZINC000597017285 1075613587 /nfs/dbraw/zinc/61/35/87/1075613587.db2.gz BKSHHDOEBBMOJR-UHFFFAOYSA-N 0 2 417.541 3.587 20 0 HHADLN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000597486272 1075658200 /nfs/dbraw/zinc/65/82/00/1075658200.db2.gz IBDZJDFOPQOGKF-UHFFFAOYSA-N 0 2 407.561 3.695 20 0 HHADLN O=C(CCC(=O)N1CCSc2ccccc21)N=c1nc(-c2ccsc2)[nH]s1 ZINC000597785987 1075706926 /nfs/dbraw/zinc/70/69/26/1075706926.db2.gz CHWXXMNHMFOSQJ-UHFFFAOYSA-N 0 2 416.553 3.546 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ncnc2ccc(Br)cc21 ZINC000302231912 971213851 /nfs/dbraw/zinc/21/38/51/971213851.db2.gz YYHQIVRBGZFYCE-UHFFFAOYSA-N 0 2 402.277 3.739 20 0 HHADLN C[C@@H](CC(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1ccccc1F ZINC000524270481 1013082404 /nfs/dbraw/zinc/08/24/04/1013082404.db2.gz NHDPOQVFZKVERS-LBPRGKRZSA-N 0 2 420.491 3.610 20 0 HHADLN CCOc1ccc(C(C)(C)C(=O)N=c2nc(-c3cccnc3)[nH]s2)cc1OCC ZINC000542148279 1013083693 /nfs/dbraw/zinc/08/36/93/1013083693.db2.gz PVAPIVYOBYTTNO-UHFFFAOYSA-N 0 2 412.515 3.736 20 0 HHADLN O=S(=O)(Nc1ncc(Cc2ccccc2F)s1)c1cnn(-c2ccccc2)c1 ZINC000524297401 1013107511 /nfs/dbraw/zinc/10/75/11/1013107511.db2.gz WLTHSMUOLQDEMQ-UHFFFAOYSA-N 0 2 414.487 3.860 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c(C)c1 ZINC000524298129 1013109071 /nfs/dbraw/zinc/10/90/71/1013109071.db2.gz SCDYRDHNDDSTBK-CQSZACIVSA-N 0 2 409.577 3.883 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(Cc3ccccc3F)s2)s1 ZINC000524297687 1013109225 /nfs/dbraw/zinc/10/92/25/1013109225.db2.gz SATLHHPBWDLPPF-UHFFFAOYSA-N 0 2 412.489 3.522 20 0 HHADLN COCc1cccc2sc(NS(=O)(=O)c3ccc(OCC(F)F)cc3)nc21 ZINC000542216628 1013164522 /nfs/dbraw/zinc/16/45/22/1013164522.db2.gz FJFYDVFXJKOJIZ-UHFFFAOYSA-N 0 2 414.455 3.887 20 0 HHADLN CCCN1C(=O)CCc2cc(NS(=O)(=O)c3c(C)nn(CC(C)C)c3C)ccc21 ZINC000542233997 1013189077 /nfs/dbraw/zinc/18/90/77/1013189077.db2.gz ZYOKBJDJFLWFKB-UHFFFAOYSA-N 0 2 418.563 3.646 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)NC[C@H]3CCN(c4ccccc4)C3)=N2)c1 ZINC000303892754 972432753 /nfs/dbraw/zinc/43/27/53/972432753.db2.gz KLJOAXYCDVJPEU-GOSISDBHSA-N 0 2 404.514 3.958 20 0 HHADLN CCCc1c(NS(=O)(=O)c2c(C)nn(CC)c2C)cnn1-c1cccc(F)c1 ZINC000542235061 1013191518 /nfs/dbraw/zinc/19/15/18/1013191518.db2.gz XKALGXALQNULQW-UHFFFAOYSA-N 0 2 405.499 3.598 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc2c(c1)OCCO2 ZINC000006328947 960886444 /nfs/dbraw/zinc/88/64/44/960886444.db2.gz AHKAAOHQTDCBFE-UHFFFAOYSA-N 0 2 410.423 3.660 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccccc2Br)cc1C ZINC000007419659 961173827 /nfs/dbraw/zinc/17/38/27/961173827.db2.gz LDTAEOIFJKKIIV-UHFFFAOYSA-N 0 2 404.307 3.797 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000007709058 961292738 /nfs/dbraw/zinc/29/27/38/961292738.db2.gz ZQZCTTYJJPEOQE-UHFFFAOYSA-N 0 2 412.231 3.619 20 0 HHADLN CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(C)=O)cc3)n2)cc1 ZINC000007737587 961305523 /nfs/dbraw/zinc/30/55/23/961305523.db2.gz WLXOJENDWSVXIZ-UHFFFAOYSA-N 0 2 415.496 3.772 20 0 HHADLN O=C(COC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)Nc1ccccc1F ZINC000009740273 961677906 /nfs/dbraw/zinc/67/79/06/961677906.db2.gz WCSSSCUQMLAEBU-UHFFFAOYSA-N 0 2 423.322 3.531 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)c(C)c1 ZINC000537739827 1013301403 /nfs/dbraw/zinc/30/14/03/1013301403.db2.gz VYOSNNZIOWAALX-UHFFFAOYSA-N 0 2 410.561 3.571 20 0 HHADLN CC(=O)c1cccc(OCc2cc(C(=O)N=c3nc(-c4ccccc4)[nH]s3)no2)c1 ZINC000537742621 1013304397 /nfs/dbraw/zinc/30/43/97/1013304397.db2.gz KWUIQQRKAKZOLY-UHFFFAOYSA-N 0 2 420.450 3.649 20 0 HHADLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(OC(C)C)c(OC)c1 ZINC000014375574 962490793 /nfs/dbraw/zinc/49/07/93/962490793.db2.gz GHQDMLLUEPNJRT-UHFFFAOYSA-N 0 2 415.515 3.833 20 0 HHADLN O=S(=O)(Nc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000016097078 962943278 /nfs/dbraw/zinc/94/32/78/962943278.db2.gz WZQDSLXYOMOVPH-UHFFFAOYSA-N 0 2 422.915 3.942 20 0 HHADLN O=S(=O)(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1c(Cl)cccc1Cl ZINC000016100854 962943785 /nfs/dbraw/zinc/94/37/85/962943785.db2.gz HXYMHMPTEMFWGT-UHFFFAOYSA-N 0 2 416.254 3.791 20 0 HHADLN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)S(=O)(=O)c2ccc(Br)cc2)c1C ZINC000553498202 1013399665 /nfs/dbraw/zinc/39/96/65/1013399665.db2.gz LMJMIJHRNNWXRJ-GFCCVEGCSA-N 0 2 412.305 3.642 20 0 HHADLN COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cc(F)ccc3F)n2)c1 ZINC000020628365 963391370 /nfs/dbraw/zinc/39/13/70/963391370.db2.gz UGSHGUBJEUCODZ-UHFFFAOYSA-N 0 2 412.439 3.906 20 0 HHADLN CCCc1cc(NS(=O)(=O)c2cc(Cl)c(OC)cc2Br)n(C)n1 ZINC000537873059 1013448251 /nfs/dbraw/zinc/44/82/51/1013448251.db2.gz ONXUMJFORNCQPF-UHFFFAOYSA-N 0 2 422.732 3.598 20 0 HHADLN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(-c3ccc(F)cc3)o2)C1=O ZINC000023954181 963907913 /nfs/dbraw/zinc/90/79/13/963907913.db2.gz JRJZBPCXPWRJKF-QFIPXVFZSA-N 0 2 407.401 3.588 20 0 HHADLN Cc1ccc(-c2nnc3n2CCCCC3)cc1NS(=O)(=O)c1ccccc1F ZINC000024433837 963998545 /nfs/dbraw/zinc/99/85/45/963998545.db2.gz OHGSQZCQHDVPEF-UHFFFAOYSA-N 0 2 400.479 3.920 20 0 HHADLN O=C(CSCc1cccs1)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000024463861 964004759 /nfs/dbraw/zinc/00/47/59/964004759.db2.gz SYGYFRILAVXLLT-UHFFFAOYSA-N 0 2 402.497 3.615 20 0 HHADLN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2csc(-c3ccc(C)cc3)n2)C1=O ZINC000024641489 964038189 /nfs/dbraw/zinc/03/81/89/964038189.db2.gz MYPUNYZHMPYAOC-JOCHJYFZSA-N 0 2 420.494 3.621 20 0 HHADLN N#Cc1c(SCC(=O)OCc2cc(F)ccc2F)[nH]c(=O)cc1C(F)(F)F ZINC000050532501 964347415 /nfs/dbraw/zinc/34/74/15/964347415.db2.gz KJYKUVNVYRUTAF-UHFFFAOYSA-N 0 2 404.316 3.791 20 0 HHADLN O=C1CCCCN1Cc1cccc(NS(=O)(=O)c2cccc3c2N=S=N3)c1 ZINC000050534365 964349088 /nfs/dbraw/zinc/34/90/88/964349088.db2.gz HBCNQXNQTYINRQ-UHFFFAOYSA-N 0 2 402.501 3.726 20 0 HHADLN N#CC(C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1nc(-c2ccccc2)cs1 ZINC000051534527 964608003 /nfs/dbraw/zinc/60/80/03/964608003.db2.gz FYJTYYXJQDLQRG-QZTJIDSGSA-N 0 2 408.527 3.914 20 0 HHADLN N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1)c1nc(-c2ccccc2)cs1 ZINC000051534527 964608009 /nfs/dbraw/zinc/60/80/09/964608009.db2.gz FYJTYYXJQDLQRG-QZTJIDSGSA-N 0 2 408.527 3.914 20 0 HHADLN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2ccc(-c3ccccc3)cn2)c1 ZINC000553668550 1013534437 /nfs/dbraw/zinc/53/44/37/1013534437.db2.gz SXOZWZNQWKTAKJ-UHFFFAOYSA-N 0 2 416.524 3.570 20 0 HHADLN N#Cc1c(C(F)(F)F)cc(=O)[nH]c1SCC(=O)OC[C@@H]1CC1(Cl)Cl ZINC000028307813 965072246 /nfs/dbraw/zinc/07/22/46/965072246.db2.gz NWJUAZUQUZOGIC-LURJTMIESA-N 0 2 401.193 3.507 20 0 HHADLN CCCCc1c(C)nc2nc(SCc3nc(=O)c4sccc4[nH]3)nn2c1C ZINC000053841547 965287434 /nfs/dbraw/zinc/28/74/34/965287434.db2.gz CVPPQZOGWOAHGF-UHFFFAOYSA-N 0 2 400.533 3.674 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cc1OC ZINC000057119712 965289679 /nfs/dbraw/zinc/28/96/79/965289679.db2.gz OBDYIAPPFNKPGI-UHFFFAOYSA-N 0 2 406.435 3.916 20 0 HHADLN O=C(Cc1nc(=O)c2sc(-c3ccc4c(c3)OCO4)cc2[nH]1)c1ccc(F)cc1 ZINC000053854671 965295672 /nfs/dbraw/zinc/29/56/72/965295672.db2.gz AHYWYGKCCWNQOQ-UHFFFAOYSA-N 0 2 408.410 3.945 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(OC)c(OCC)c3)cc2[nH]c1=S ZINC000054034222 965363246 /nfs/dbraw/zinc/36/32/46/965363246.db2.gz TZBRKGFHWLYDBH-UHFFFAOYSA-N 0 2 411.483 3.531 20 0 HHADLN Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1csc(-c2ccco2)n1 ZINC000029557267 965411634 /nfs/dbraw/zinc/41/16/34/965411634.db2.gz RIUDOUQVEVHJKK-UHFFFAOYSA-N 0 2 410.480 3.910 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 ZINC000057720612 965529912 /nfs/dbraw/zinc/52/99/12/965529912.db2.gz JBGLZRSXZAPOMJ-UHFFFAOYSA-N 0 2 413.480 3.659 20 0 HHADLN CC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000057720157 965530391 /nfs/dbraw/zinc/53/03/91/965530391.db2.gz JFNHRQFDSIYYOL-UHFFFAOYSA-N 0 2 403.441 3.722 20 0 HHADLN CCc1ccc(-c2csc(NS(=O)(=O)c3ccc(OC)c(OC)c3)n2)cc1 ZINC000057721658 965531565 /nfs/dbraw/zinc/53/15/65/965531565.db2.gz ORLIAOMWDIMXIV-UHFFFAOYSA-N 0 2 404.513 3.612 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc(Cl)c1 ZINC000057933195 965585238 /nfs/dbraw/zinc/58/52/38/965585238.db2.gz KOPZFGJNBLEONZ-UHFFFAOYSA-N 0 2 419.959 3.578 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)sc1C ZINC000538011707 1013583662 /nfs/dbraw/zinc/58/36/62/1013583662.db2.gz ZPBBHNIYQPCSOX-UHFFFAOYSA-N 0 2 406.451 3.766 20 0 HHADLN COc1ccc(-c2nc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)[nH]c(=O)c2C#N)cc1 ZINC000054749260 965630439 /nfs/dbraw/zinc/63/04/39/965630439.db2.gz ODPADNKQQZKBFM-KBPBESRZSA-N 0 2 412.515 3.611 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000055101028 965755256 /nfs/dbraw/zinc/75/52/56/965755256.db2.gz FVHLTPXFKZMZMN-IBGZPJMESA-N 0 2 405.479 3.763 20 0 HHADLN C[C@H]1CCCN(C2=NC(=O)C(CC(=O)Nc3ccc(Br)cc3)S2)C1 ZINC000055117769 965761756 /nfs/dbraw/zinc/76/17/56/965761756.db2.gz RFVXSMVDSBIYCV-SMDDNHRTSA-N 0 2 410.337 3.508 20 0 HHADLN COc1cc(Cl)c(C)cc1NC(=O)CC1SC(N2CCC[C@H](C)C2)=NC1=O ZINC000055117722 965761854 /nfs/dbraw/zinc/76/18/54/965761854.db2.gz QCVYNHTWZZTJQN-ZBEGNZNMSA-N 0 2 409.939 3.716 20 0 HHADLN Cn1c(Cl)c(Cl)cc1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000030673781 965763090 /nfs/dbraw/zinc/76/30/90/965763090.db2.gz XOONJYWIVVUDOP-UHFFFAOYSA-N 0 2 408.241 3.579 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](C[C@H]3CCOC3)c3ccccc3)s[nH]2)c1 ZINC000542684703 1013605184 /nfs/dbraw/zinc/60/51/84/1013605184.db2.gz ALDNEIFDACOCBA-DNVCBOLYSA-N 0 2 424.526 3.925 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H]3CCCO[C@H]3c3ccc(C)cc3)s[nH]2)c1 ZINC000542686892 1013606747 /nfs/dbraw/zinc/60/67/47/1013606747.db2.gz MSBHASYAXUJOCV-MOPGFXCFSA-N 0 2 424.526 3.986 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(C)ccc2F)ccc1NC(=O)c1cccnc1 ZINC000055587078 965941098 /nfs/dbraw/zinc/94/10/98/965941098.db2.gz RFRVAXMGFFXDAL-UHFFFAOYSA-N 0 2 415.446 3.591 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2cccc(NC(=O)[C@@H](C)n3cccn3)c2)s1 ZINC000055587413 965942170 /nfs/dbraw/zinc/94/21/70/965942170.db2.gz UWJSJDYXBVPQJM-CYBMUJFWSA-N 0 2 404.517 3.508 20 0 HHADLN CC(C)NC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1Br ZINC000055614643 965962561 /nfs/dbraw/zinc/96/25/61/965962561.db2.gz AXVVUDAJLFPKFP-UHFFFAOYSA-N 0 2 412.309 3.780 20 0 HHADLN O=C(NCc1ccccc1F)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 ZINC000055629867 965973839 /nfs/dbraw/zinc/97/38/39/965973839.db2.gz KSDHQANUDIYBTG-UHFFFAOYSA-N 0 2 402.422 3.696 20 0 HHADLN CSc1nnnn1-c1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000031555705 966050918 /nfs/dbraw/zinc/05/09/18/966050918.db2.gz SPVNQSMRLSHPEX-UHFFFAOYSA-N 0 2 422.344 3.553 20 0 HHADLN Cc1nccc(NCc2cccc(C(=O)N=c3nc(-c4ccccc4)[nH]s3)c2)n1 ZINC000542706040 1013620747 /nfs/dbraw/zinc/62/07/47/1013620747.db2.gz PVKAGKRNQMSKKC-UHFFFAOYSA-N 0 2 402.483 3.590 20 0 HHADLN CCOC(=O)COc1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000032095454 966192713 /nfs/dbraw/zinc/19/27/13/966192713.db2.gz PTNUSUCVFJGVSR-UHFFFAOYSA-N 0 2 404.271 3.736 20 0 HHADLN C[C@H](C(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1)n1cccn1 ZINC000032600383 966292099 /nfs/dbraw/zinc/29/20/99/966292099.db2.gz ZUPDALZDLGYGLO-GFCCVEGCSA-N 0 2 422.869 3.676 20 0 HHADLN C[C@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc2c(c1)CC(=O)N2 ZINC000542731045 1013643370 /nfs/dbraw/zinc/64/33/70/1013643370.db2.gz ZUUXYFOXNCATJE-JTQLQIEISA-N 0 2 413.890 3.658 20 0 HHADLN O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000036666161 966438823 /nfs/dbraw/zinc/43/88/23/966438823.db2.gz AKNOGTRLEPBBIH-UHFFFAOYSA-N 0 2 411.414 3.535 20 0 HHADLN CCn1c(SCC(=O)NOCc2ccccc2)nnc1-c1ccc(Cl)cc1 ZINC000039514628 966496429 /nfs/dbraw/zinc/49/64/29/966496429.db2.gz GXVLIZRSRYNMSL-UHFFFAOYSA-N 0 2 402.907 3.959 20 0 HHADLN N#C[C@H](C(=O)C1CCN(C(=O)c2cccnc2)CC1)c1nc(-c2ccccc2)cs1 ZINC000041522191 966586452 /nfs/dbraw/zinc/58/64/52/966586452.db2.gz AHIJEGLRIZAXGO-LJQANCHMSA-N 0 2 416.506 3.934 20 0 HHADLN N#C[C@H](C(=O)CCn1cnc2ccccc2c1=O)c1nc(-c2ccccc2)cs1 ZINC000041533147 966590420 /nfs/dbraw/zinc/59/04/20/966590420.db2.gz RRDUTSTTXWWVDA-QGZVFWFLSA-N 0 2 400.463 3.787 20 0 HHADLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000042666154 966824947 /nfs/dbraw/zinc/82/49/47/966824947.db2.gz QYRVDXGQECJDIQ-UHFFFAOYSA-N 0 2 413.826 3.563 20 0 HHADLN CCCn1ccc2cc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)ccc21 ZINC000063476100 966871691 /nfs/dbraw/zinc/87/16/91/966871691.db2.gz GJXRPNPEDFMVLL-UHFFFAOYSA-N 0 2 401.463 3.876 20 0 HHADLN COC(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000063635790 966912867 /nfs/dbraw/zinc/91/28/67/966912867.db2.gz QACOQVSDSXRVPF-UHFFFAOYSA-N 0 2 401.843 3.854 20 0 HHADLN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cccc(C)c2C(=O)OC)cc1 ZINC000064476568 967203241 /nfs/dbraw/zinc/20/32/41/967203241.db2.gz SATFFOKOEGVWCN-UHFFFAOYSA-N 0 2 418.515 3.501 20 0 HHADLN O=S(=O)(Nc1ccccc1NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 ZINC000064478104 967204445 /nfs/dbraw/zinc/20/44/45/967204445.db2.gz DDXSQGMEHKOZGY-UHFFFAOYSA-N 0 2 422.915 3.942 20 0 HHADLN COc1ccc(CC/N=C2\NC(=O)C(CC(=O)Nc3cccc(Cl)c3)S2)cc1 ZINC000044827545 967297785 /nfs/dbraw/zinc/29/77/85/967297785.db2.gz CCNYQLIQKRSAMD-QGZVFWFLSA-N 0 2 417.918 3.508 20 0 HHADLN CCc1nc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)s1 ZINC000064863595 967314114 /nfs/dbraw/zinc/31/41/14/967314114.db2.gz RTXGXPGRNJNHKV-UHFFFAOYSA-N 0 2 408.530 3.524 20 0 HHADLN CCCOCC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000065584010 967535716 /nfs/dbraw/zinc/53/57/16/967535716.db2.gz YLKOVMABZHYICJ-UHFFFAOYSA-N 0 2 400.859 3.645 20 0 HHADLN O=C(Nc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1)N1CCCC1 ZINC000542937082 1013770716 /nfs/dbraw/zinc/77/07/16/1013770716.db2.gz UHFSMVUUGQUUFD-UHFFFAOYSA-N 0 2 414.409 3.529 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)cc1OC ZINC000047212166 968090184 /nfs/dbraw/zinc/09/01/84/968090184.db2.gz LTHFPVJARNAWAL-UHFFFAOYSA-N 0 2 404.419 3.831 20 0 HHADLN O=S(=O)(Nc1ccc(I)cc1)c1cccc(Cl)c1F ZINC000048652709 968632686 /nfs/dbraw/zinc/63/26/86/968632686.db2.gz XIJKRWFQMQSVOD-UHFFFAOYSA-N 0 2 411.623 3.885 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)c1 ZINC000538296678 1013831523 /nfs/dbraw/zinc/83/15/23/1013831523.db2.gz QUPZMADKKFICBH-UHFFFAOYSA-N 0 2 412.467 3.762 20 0 HHADLN CCOC(=O)c1cc2cc(NS(=O)(=O)c3cc(OC)ccc3O)ccc2s1 ZINC000538298040 1013833814 /nfs/dbraw/zinc/83/38/14/1013833814.db2.gz IBACUTCFEOXTFM-UHFFFAOYSA-N 0 2 407.469 3.593 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 ZINC000071974507 968917644 /nfs/dbraw/zinc/91/76/44/968917644.db2.gz RHEWSYGZKAFSRM-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN COc1ccc(-c2n[nH]c(NC(=O)c3sccc3Br)n2)c(OC)c1 ZINC000072057789 968963936 /nfs/dbraw/zinc/96/39/36/968963936.db2.gz VXKUHHSWPDCVSB-UHFFFAOYSA-N 0 2 409.265 3.565 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2F)cc1 ZINC000098067292 969187931 /nfs/dbraw/zinc/18/79/31/969187931.db2.gz SIFSRVUUMJTNQA-HUUCEWRRSA-N 0 2 420.506 3.753 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3cc(OC)c(Cl)cc3OC)cc2[nH]c1=S ZINC000103448785 969200247 /nfs/dbraw/zinc/20/02/47/969200247.db2.gz HIHZZNJNYGDISV-UHFFFAOYSA-N 0 2 419.890 3.628 20 0 HHADLN O=S(=O)(Nc1ccccc1-n1cc(Br)cn1)c1ccc(F)cc1F ZINC000107512874 969310795 /nfs/dbraw/zinc/31/07/95/969310795.db2.gz VPGGRBMEQBJAMB-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN NC(=O)Cc1ccc(NCc2cc(Br)c(O)c(Br)c2)cc1 ZINC000225650833 970106855 /nfs/dbraw/zinc/10/68/55/970106855.db2.gz LEEPPWIXRUGJEY-UHFFFAOYSA-N 0 2 414.097 3.557 20 0 HHADLN Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000147659836 970336073 /nfs/dbraw/zinc/33/60/73/970336073.db2.gz JWJBVICVNSLCIW-MRXNPFEDSA-N 0 2 413.393 3.776 20 0 HHADLN O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)NOCc1ccccc1 ZINC000247742847 970478667 /nfs/dbraw/zinc/47/86/67/970478667.db2.gz OOURUSKZVGZVNC-UHFFFAOYSA-N 0 2 416.812 3.742 20 0 HHADLN O=S(=O)(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cccc2c1N=S=N2 ZINC000261420605 970667998 /nfs/dbraw/zinc/66/79/98/970667998.db2.gz ZWDJFNBZJYIJEE-UHFFFAOYSA-N 0 2 412.500 3.809 20 0 HHADLN Cc1nn(C)cc1S(=O)(=O)Nc1nc(C)c(Cc2cccc(Cl)c2F)s1 ZINC000554731445 1014033895 /nfs/dbraw/zinc/03/38/95/1014033895.db2.gz CEIVIVJJYKDGRH-UHFFFAOYSA-N 0 2 414.915 3.678 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cccc(C)c2F)cc1I ZINC000313205874 972634148 /nfs/dbraw/zinc/63/41/48/972634148.db2.gz FRGGOGZZADVRJL-UHFFFAOYSA-N 0 2 405.232 3.848 20 0 HHADLN Cc1ccc(Br)cc1NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000315535714 972645050 /nfs/dbraw/zinc/64/50/50/972645050.db2.gz JRCYZGQSXMXIPN-UHFFFAOYSA-N 0 2 400.685 3.859 20 0 HHADLN Cc1nc(Br)ccc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000318470049 972662294 /nfs/dbraw/zinc/66/22/94/972662294.db2.gz HSFNSXCJIIOBTP-UHFFFAOYSA-N 0 2 406.645 3.515 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc(Br)ccc1C ZINC000318680071 972664883 /nfs/dbraw/zinc/66/48/83/972664883.db2.gz FPBMESRNTXVSML-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN COc1cc(NS(=O)(=O)c2c(Cl)cccc2Br)cc(OC)c1 ZINC000318691242 972665307 /nfs/dbraw/zinc/66/53/07/972665307.db2.gz CHRPFBMAQKSLAF-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN N#Cc1ccc(S(=O)(=O)Nc2ccc(Br)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000321885934 972696557 /nfs/dbraw/zinc/69/65/57/972696557.db2.gz RBSKALQAWHOQAW-UHFFFAOYSA-N 0 2 416.640 3.683 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc(Br)c(F)cc1C ZINC000326219582 972739722 /nfs/dbraw/zinc/73/97/22/972739722.db2.gz SLVXZFRAPAHQNR-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN COC(=O)c1ccccc1S(=O)(=O)Nc1cccc2cc(Br)cnc21 ZINC000327539786 972759432 /nfs/dbraw/zinc/75/94/32/972759432.db2.gz QTJDITKIWYCDIL-UHFFFAOYSA-N 0 2 421.272 3.585 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc2nc(SC)sc2c1 ZINC000327709655 972761531 /nfs/dbraw/zinc/76/15/31/972761531.db2.gz ZDYRVQOBFODTHO-UHFFFAOYSA-N 0 2 414.555 3.976 20 0 HHADLN NC(=O)c1cc(NS(=O)(=O)c2c(Cl)cccc2Br)ccc1Cl ZINC000390117292 972820145 /nfs/dbraw/zinc/82/01/45/972820145.db2.gz MNBUMXGTGGCDJR-UHFFFAOYSA-N 0 2 424.103 3.656 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cccc(C(N)=O)c2)sc1Cc1cccc(Cl)c1 ZINC000409520896 972975833 /nfs/dbraw/zinc/97/58/33/972975833.db2.gz RHKRSERCQVZFMF-UHFFFAOYSA-N 0 2 421.931 3.595 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2nc(C)c(Cc3cccc(C)c3)s2)c1 ZINC000409541861 972998168 /nfs/dbraw/zinc/99/81/68/972998168.db2.gz ZGUWRMBLVPZAPP-UHFFFAOYSA-N 0 2 416.524 3.938 20 0 HHADLN CCOC(=O)c1cccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)c1 ZINC000409581835 973031859 /nfs/dbraw/zinc/03/18/59/973031859.db2.gz MMBXDNUJKURSJU-UHFFFAOYSA-N 0 2 407.536 3.913 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccccc1Br)c1cccc(F)c1 ZINC000409583335 973032922 /nfs/dbraw/zinc/03/29/22/973032922.db2.gz GFNOTPDWDIXTFM-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN Cc1cc(F)ccc1S(=O)(=O)Nc1ccnn1Cc1ccccc1Br ZINC000409584665 973034933 /nfs/dbraw/zinc/03/49/33/973034933.db2.gz KXJMIDLRXZAMJX-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccccc1Br)c1ccccc1F ZINC000409588433 973037575 /nfs/dbraw/zinc/03/75/75/973037575.db2.gz ZEANYNHOEMTUCK-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN COCCc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cc1 ZINC000409598329 973045475 /nfs/dbraw/zinc/04/54/75/973045475.db2.gz YAHDYRQIWPYDBV-UHFFFAOYSA-N 0 2 405.907 3.575 20 0 HHADLN COc1coc(C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)cc1=O ZINC000409711103 973183952 /nfs/dbraw/zinc/18/39/52/973183952.db2.gz TWXCXXJGOTUJBB-UHFFFAOYSA-N 0 2 421.434 3.633 20 0 HHADLN COc1cncc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 ZINC000410353112 973944609 /nfs/dbraw/zinc/94/46/09/973944609.db2.gz KSLMEALRGQMCHY-UHFFFAOYSA-N 0 2 415.437 3.900 20 0 HHADLN O=S(=O)(Nc1cccc2c1OCCO2)c1ccc(Cl)cc1Br ZINC000410373594 973970378 /nfs/dbraw/zinc/97/03/78/973970378.db2.gz KPXNAKBTRILYHC-UHFFFAOYSA-N 0 2 404.669 3.675 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1Cl ZINC000410381863 973980224 /nfs/dbraw/zinc/98/02/24/973980224.db2.gz LDIVNSQXXREZLM-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN COCc1nnc([C@H]2CCCCN2C(=O)c2ccc(Sc3ccccn3)cc2)[nH]1 ZINC000426108001 974231807 /nfs/dbraw/zinc/23/18/07/974231807.db2.gz DFTOSTRXWHIDCR-QGZVFWFLSA-N 0 2 409.515 3.865 20 0 HHADLN COCc1nsc(NC[C@H](c2c[nH]c3ccccc32)c2cccc(OC)c2OC)n1 ZINC000426583994 974545737 /nfs/dbraw/zinc/54/57/37/974545737.db2.gz NCOXHCUAQRFMOE-KRWDZBQOSA-N 0 2 424.526 3.849 20 0 HHADLN Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C(=O)[O-])c1cccs1 ZINC000426818002 974683355 /nfs/dbraw/zinc/68/33/55/974683355.db2.gz QSEURJCHQGDDRW-MRXNPFEDSA-N 0 2 406.305 3.920 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1OC ZINC000427116768 974917896 /nfs/dbraw/zinc/91/78/96/974917896.db2.gz XLZZJLXSWXOPGB-UHFFFAOYSA-N 0 2 409.357 3.932 20 0 HHADLN COc1cc(NS(=O)(=O)c2cccc(Br)c2F)cc2cccnc21 ZINC000427633567 975217643 /nfs/dbraw/zinc/21/76/43/975217643.db2.gz KOCHWSHZIDBKQD-UHFFFAOYSA-N 0 2 411.252 3.946 20 0 HHADLN O=S(=O)(Nc1nnc(CC2CCCC2)o1)c1cccc(OC(F)(F)F)c1F ZINC000427751938 975268206 /nfs/dbraw/zinc/26/82/06/975268206.db2.gz JONBQHHABLNORZ-UHFFFAOYSA-N 0 2 409.361 3.641 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccs2)o1)c1cccc(OC(F)(F)F)c1F ZINC000427782330 975284977 /nfs/dbraw/zinc/28/49/77/975284977.db2.gz RLKVCYVLOHQPKW-UHFFFAOYSA-N 0 2 409.342 3.637 20 0 HHADLN Cc1ccccc1-c1nnc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)o1 ZINC000427785397 975286772 /nfs/dbraw/zinc/28/67/72/975286772.db2.gz QNTKZEHSMJVLAQ-UHFFFAOYSA-N 0 2 417.340 3.884 20 0 HHADLN CCOC(=O)c1cc(COC)cc(S(=O)(=O)Nc2nc3ccc(C)cc3s2)c1 ZINC000427785780 975287494 /nfs/dbraw/zinc/28/74/94/975287494.db2.gz FOOBUBWNCZYACS-UHFFFAOYSA-N 0 2 420.512 3.729 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)c1 ZINC000427790308 975289902 /nfs/dbraw/zinc/28/99/02/975289902.db2.gz RNBWWVQVBAQKRQ-UHFFFAOYSA-N 0 2 423.903 3.836 20 0 HHADLN Cc1nc2ccc(S(=O)(=O)Nc3ccnn3Cc3ccccc3F)cc2s1 ZINC000427794506 975292478 /nfs/dbraw/zinc/29/24/78/975292478.db2.gz UVBUYZGEHFBHNK-UHFFFAOYSA-N 0 2 402.476 3.789 20 0 HHADLN CC(C)Cn1ncc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c1-c1ccccc1 ZINC000428787976 976062862 /nfs/dbraw/zinc/06/28/62/976062862.db2.gz YQYXKACUFGEZIZ-UHFFFAOYSA-N 0 2 404.499 3.794 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)Nc1cccc(OC)c1 ZINC000429448737 976726227 /nfs/dbraw/zinc/72/62/27/976726227.db2.gz LJJQGWKZOSCWIU-FQEVSTJZSA-N 0 2 408.502 3.940 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N(CCc1ccccn1)Cc1cccnc1 ZINC000430382473 977514745 /nfs/dbraw/zinc/51/47/45/977514745.db2.gz CXEHZUTUNOQGGV-UHFFFAOYSA-N 0 2 416.510 3.694 20 0 HHADLN CCOC(=O)[C@H]1CCCN(C(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)C1 ZINC000430405084 977526897 /nfs/dbraw/zinc/52/68/97/977526897.db2.gz RJCIMPXHSXZUMY-INIZCTEOSA-N 0 2 420.465 3.736 20 0 HHADLN Cc1nnc([C@H](C)NC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)s1 ZINC000430575890 977640597 /nfs/dbraw/zinc/64/05/97/977640597.db2.gz LLPHHHXZXNQEBZ-LBPRGKRZSA-N 0 2 406.467 3.971 20 0 HHADLN COc1ccnc(CNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)c1 ZINC000430583638 977644493 /nfs/dbraw/zinc/64/44/93/977644493.db2.gz NODZEKIQEJGBMN-UHFFFAOYSA-N 0 2 401.422 3.654 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(F)c(C(F)(F)F)c1 ZINC000430671511 977682783 /nfs/dbraw/zinc/68/27/83/977682783.db2.gz QQOGDKQMZMOKRQ-UHFFFAOYSA-N 0 2 405.304 3.834 20 0 HHADLN COc1ccc(Br)c(CN(C)C(=O)c2c[nH]c3nc(C)ccc3c2=O)c1 ZINC000430706273 977704990 /nfs/dbraw/zinc/70/49/90/977704990.db2.gz CXJBAUHEEDJVHT-UHFFFAOYSA-N 0 2 416.275 3.687 20 0 HHADLN O=C(Nc1ccc(F)cc1NS(=O)(=O)c1cnc2ccccc2c1)c1ccccn1 ZINC000430980097 977925614 /nfs/dbraw/zinc/92/56/14/977925614.db2.gz YMNVAAMCTBYQMS-UHFFFAOYSA-N 0 2 422.441 3.822 20 0 HHADLN CCN(CC)C(=O)Cn1ccc2cc(NS(=O)(=O)c3sc(C)cc3C)ccc21 ZINC000431168190 978069366 /nfs/dbraw/zinc/06/93/66/978069366.db2.gz QJQHUXUBDJUFDT-UHFFFAOYSA-N 0 2 419.572 3.989 20 0 HHADLN Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(CC(F)F)C(=O)CS3)s1 ZINC000431177739 978076961 /nfs/dbraw/zinc/07/69/61/978076961.db2.gz YXSDQDKEMHANOV-UHFFFAOYSA-N 0 2 418.512 3.870 20 0 HHADLN CCSc1nnc(NS(=O)(=O)c2ccc(Br)cc2Cl)s1 ZINC000431318058 978203487 /nfs/dbraw/zinc/20/34/87/978203487.db2.gz IOEUVSDOLQNFMJ-UHFFFAOYSA-N 0 2 414.759 3.867 20 0 HHADLN O=S(=O)(Nc1nnc(SCc2cccs2)s1)c1cccc(F)c1F ZINC000431320052 978205239 /nfs/dbraw/zinc/20/52/39/978205239.db2.gz XINIAKYLWPAPFQ-UHFFFAOYSA-N 0 2 405.498 3.971 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC000431325131 978210009 /nfs/dbraw/zinc/21/00/09/978210009.db2.gz ZMCAPGNVCHCFHX-UHFFFAOYSA-N 0 2 421.500 3.619 20 0 HHADLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3nnc(-c4ccccc4Cl)s3)ccc2O1 ZINC000431329279 978214327 /nfs/dbraw/zinc/21/43/27/978214327.db2.gz BJMKDOKYWCMFNM-SNVBAGLBSA-N 0 2 407.904 3.983 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2cccc(C)c2F)cc(Br)c1F ZINC000431911699 978595265 /nfs/dbraw/zinc/59/52/65/978595265.db2.gz IZLMVTKAQQJYFC-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3cc(OC)c(OC)cc3F)c2)n1 ZINC000432190415 978706844 /nfs/dbraw/zinc/70/68/44/978706844.db2.gz GFSXAJGBAYMZPM-UHFFFAOYSA-N 0 2 421.450 3.565 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cccc(Br)c2C)n(Cc2ccccn2)n1 ZINC000432367948 978780566 /nfs/dbraw/zinc/78/05/66/978780566.db2.gz JRLOGIVZFGWAEP-UHFFFAOYSA-N 0 2 421.320 3.507 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cc(C)nn2Cc2ccccn2)c2ccccc12 ZINC000432380783 978788465 /nfs/dbraw/zinc/78/84/65/978788465.db2.gz JHDUHSRWEMOCRG-UHFFFAOYSA-N 0 2 422.510 3.988 20 0 HHADLN COCc1ccc(S(=O)(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)cc1 ZINC000432530042 978867104 /nfs/dbraw/zinc/86/71/04/978867104.db2.gz GUKIULYZYCJDRM-SFHVURJKSA-N 0 2 415.540 3.954 20 0 HHADLN Cn1nc([C@@H]2CCCO2)cc1NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000432957579 979023699 /nfs/dbraw/zinc/02/36/99/979023699.db2.gz CEMCRGJXIIVGCN-ZDUSSCGKSA-N 0 2 409.817 3.745 20 0 HHADLN Cc1cnc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)nc1-c1ccccc1 ZINC000433167929 979112075 /nfs/dbraw/zinc/11/20/75/979112075.db2.gz PUCVISXWHGMDRW-UHFFFAOYSA-N 0 2 417.874 3.677 20 0 HHADLN CCn1nc(C)c(NS(=O)(=O)c2cc(Cl)c(OC)cc2Br)c1C ZINC000433515558 979351034 /nfs/dbraw/zinc/35/10/34/979351034.db2.gz CLBBZQMFIOJRRX-UHFFFAOYSA-N 0 2 422.732 3.745 20 0 HHADLN Cc1ccn(C2CCN(C(=O)N=c3nc(-c4cccc(Cl)c4)[nH]s3)CC2)n1 ZINC000433555269 979380473 /nfs/dbraw/zinc/38/04/73/979380473.db2.gz OMRXKDVPPPUQIA-UHFFFAOYSA-N 0 2 402.911 3.654 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(Br)sc2Cl)cc(OC)c1 ZINC000433617102 979428321 /nfs/dbraw/zinc/42/83/21/979428321.db2.gz JSUGIVGWEBXFSB-UHFFFAOYSA-N 0 2 412.714 3.982 20 0 HHADLN C[C@@H]1CCc2nc(NC(=O)C(=O)Nc3cc(Cl)c(O)c(Cl)c3)sc2C1 ZINC000434991580 980554183 /nfs/dbraw/zinc/55/41/83/980554183.db2.gz PKAXZIPSIGYVGE-SSDOTTSWSA-N 0 2 400.287 3.858 20 0 HHADLN COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cccc(C)c1Br ZINC000435141365 980673740 /nfs/dbraw/zinc/67/37/40/980673740.db2.gz ZRNNGBWFFMCOFE-UHFFFAOYSA-N 0 2 413.293 3.525 20 0 HHADLN Cc1ccn(-c2ccccc2NS(=O)(=O)c2cc(F)ccc2Br)n1 ZINC000435147189 980678244 /nfs/dbraw/zinc/67/82/44/980678244.db2.gz UNQRGQXKEBISDS-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)n(-c2cc(C)nc(C)n2)n1 ZINC000435196312 980713659 /nfs/dbraw/zinc/71/36/59/980713659.db2.gz LOTXEXXETWKQRO-UHFFFAOYSA-N 0 2 412.302 3.695 20 0 HHADLN CCS(=O)(=O)c1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000435479310 980891274 /nfs/dbraw/zinc/89/12/74/980891274.db2.gz XUTXJVBQLNEWLP-UHFFFAOYSA-N 0 2 412.291 3.727 20 0 HHADLN CN(C)C(=O)Cc1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000435485648 980896448 /nfs/dbraw/zinc/89/64/48/980896448.db2.gz BNJDTPIOHVDLBF-UHFFFAOYSA-N 0 2 405.278 3.564 20 0 HHADLN CCn1cc(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c(C(F)(F)F)n1 ZINC000435680602 980984457 /nfs/dbraw/zinc/98/44/57/980984457.db2.gz DZBTWHNPFIPJHB-UHFFFAOYSA-N 0 2 401.801 3.768 20 0 HHADLN Cc1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)n(C2CCOCC2)n1 ZINC000435892173 981079549 /nfs/dbraw/zinc/07/95/49/981079549.db2.gz FBLQWGJIZQHZPR-UHFFFAOYSA-N 0 2 408.282 3.790 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)o2)cc1 ZINC000435895441 981080835 /nfs/dbraw/zinc/08/08/35/981080835.db2.gz ZITPBGMWCPWHEJ-UHFFFAOYSA-N 0 2 418.233 3.992 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccs2)ns1)c1c(Cl)cc(F)cc1Cl ZINC000435906149 981086269 /nfs/dbraw/zinc/08/62/69/981086269.db2.gz FBBZOAGOXMANLX-UHFFFAOYSA-N 0 2 410.304 3.935 20 0 HHADLN Cn1ccnc1Sc1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1 ZINC000436014065 981155449 /nfs/dbraw/zinc/15/54/49/981155449.db2.gz OZENQOWAYYIQKK-UHFFFAOYSA-N 0 2 423.523 3.829 20 0 HHADLN CC(=O)N1CCCc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)ccc21 ZINC000436015385 981156062 /nfs/dbraw/zinc/15/60/62/981156062.db2.gz HIUAXIZOFOYZMI-UHFFFAOYSA-N 0 2 416.396 3.944 20 0 HHADLN CCOC(=O)COc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000436021292 981160623 /nfs/dbraw/zinc/16/06/23/981160623.db2.gz URUHFEPVVVCDFJ-UHFFFAOYSA-N 0 2 421.368 3.587 20 0 HHADLN CC(C)n1cnnc1-c1ccccc1NS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000436027490 981165741 /nfs/dbraw/zinc/16/57/41/981165741.db2.gz MCVGFCVBJNMKPU-UHFFFAOYSA-N 0 2 420.498 3.784 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)s[nH]2)c1 ZINC000436385437 981340080 /nfs/dbraw/zinc/34/00/80/981340080.db2.gz HSOKMKLSUJDDPV-SWLSCSKDSA-N 0 2 420.416 3.731 20 0 HHADLN O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000436454860 981382743 /nfs/dbraw/zinc/38/27/43/981382743.db2.gz IGKSRITYMXHKTF-UHFFFAOYSA-N 0 2 423.860 3.759 20 0 HHADLN O=C1N=NC(c2ccccc2NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)O1 ZINC000436480217 981394678 /nfs/dbraw/zinc/39/46/78/981394678.db2.gz XSTNBHZIHMSKKQ-UHFFFAOYSA-N 0 2 419.768 3.915 20 0 HHADLN Cc1cc(CNC(=O)c2cc(F)c(O)c(F)c2)ccc1I ZINC000436487793 981397417 /nfs/dbraw/zinc/39/74/17/981397417.db2.gz KTJGJJYATBVUOZ-UHFFFAOYSA-N 0 2 403.166 3.513 20 0 HHADLN O=C(c1cc(F)cc(Br)c1[O-])N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000436511711 981410609 /nfs/dbraw/zinc/41/06/09/981410609.db2.gz HPBSDYVWJMBMFH-GFCCVEGCSA-N 0 2 422.298 3.846 20 0 HHADLN Cc1ncc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)s1 ZINC000436522086 981415161 /nfs/dbraw/zinc/41/51/61/981415161.db2.gz RJXPQSJRNYMYEJ-UHFFFAOYSA-N 0 2 423.903 3.864 20 0 HHADLN O=C(c1cc2sccc2s1)N1CCN(C(=O)c2cc(F)c(O)c(F)c2)CC1 ZINC000436521857 981415264 /nfs/dbraw/zinc/41/52/64/981415264.db2.gz IDIYHPHAQYCHGN-UHFFFAOYSA-N 0 2 408.451 3.545 20 0 HHADLN O=C(N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)c1cc(F)c(O)c(F)c1 ZINC000436523776 981416650 /nfs/dbraw/zinc/41/66/50/981416650.db2.gz WCPLGKFVEHCILD-JTQLQIEISA-N 0 2 421.753 3.746 20 0 HHADLN CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC000436523756 981416848 /nfs/dbraw/zinc/41/68/48/981416848.db2.gz VTJGATXUVKPCGW-UHFFFAOYSA-N 0 2 415.440 3.998 20 0 HHADLN COC(=O)C[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000436528143 981420999 /nfs/dbraw/zinc/42/09/99/981420999.db2.gz GLQVHFJGCISLDJ-CQSZACIVSA-N 0 2 419.302 3.603 20 0 HHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000436529080 981421956 /nfs/dbraw/zinc/42/19/56/981421956.db2.gz JQIDGKDTVLJPGB-GFCCVEGCSA-N 0 2 403.360 3.879 20 0 HHADLN CCOc1ccc(-c2cn(C3CN(C(=O)c4cc(F)cc(Cl)c4O)C3)nn2)cc1 ZINC000436560172 981444208 /nfs/dbraw/zinc/44/42/08/981444208.db2.gz ACVVDTDJYPLZCS-UHFFFAOYSA-N 0 2 416.840 3.539 20 0 HHADLN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436566313 981448775 /nfs/dbraw/zinc/44/87/75/981448775.db2.gz PJXIIBPJDFSWTQ-DLBZAZTESA-N 0 2 417.889 3.895 20 0 HHADLN O=C(N[C@H]1CCN(C(=O)c2ccccn2)C1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436575694 981455014 /nfs/dbraw/zinc/45/50/14/981455014.db2.gz JNKIQKGGCFFOCT-KRWDZBQOSA-N 0 2 421.884 3.752 20 0 HHADLN Cc1nsc(N2CCN(C(=O)c3cc(-c4ccccc4)cc(Cl)c3O)CC2)n1 ZINC000436592046 981464464 /nfs/dbraw/zinc/46/44/64/981464464.db2.gz SDVDDWBHYYKTMU-UHFFFAOYSA-N 0 2 414.918 3.835 20 0 HHADLN O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2cc(F)c(O)c(F)c2)CC1 ZINC000436634493 981484874 /nfs/dbraw/zinc/48/48/74/981484874.db2.gz LORJSILZHGEKDR-UHFFFAOYSA-N 0 2 409.820 3.704 20 0 HHADLN Cc1noc([C@@H]2CCCN(C(=O)c3cc(Cl)cc(Br)c3O)C2)n1 ZINC000436634177 981485135 /nfs/dbraw/zinc/48/51/35/981485135.db2.gz KEITVNZRBXRQGO-SECBINFHSA-N 0 2 400.660 3.519 20 0 HHADLN C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436715888 981527385 /nfs/dbraw/zinc/52/73/85/981527385.db2.gz ZDGRWULGEKJLOM-NWDGAFQWSA-N 0 2 407.923 3.524 20 0 HHADLN C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436715888 981527386 /nfs/dbraw/zinc/52/73/86/981527386.db2.gz ZDGRWULGEKJLOM-NWDGAFQWSA-N 0 2 407.923 3.524 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Cl)cc1O ZINC000436732580 981537017 /nfs/dbraw/zinc/53/70/17/981537017.db2.gz RVMSWGGRCPQCMS-UHFFFAOYSA-N 0 2 409.876 3.555 20 0 HHADLN C[S@](=O)Cc1ccc(CNC(=O)c2cc(Cl)cc(Br)c2O)cc1 ZINC000436741441 981540768 /nfs/dbraw/zinc/54/07/68/981540768.db2.gz VSABLJYRZGAWRL-QHCPKHFHSA-N 0 2 416.724 3.617 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N(CCO)Cc1cc(Br)ccc1F ZINC000436747466 981543225 /nfs/dbraw/zinc/54/32/25/981543225.db2.gz AVHFJDIGOIJHST-UHFFFAOYSA-N 0 2 420.637 3.721 20 0 HHADLN CC[C@@H]1CC[C@@H](C)N1C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O ZINC000436749499 981544565 /nfs/dbraw/zinc/54/45/65/981544565.db2.gz YSCFCUUDYGNGLC-HUUCEWRRSA-N 0 2 418.515 3.605 20 0 HHADLN O=C(c1ccccn1)N1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CC1 ZINC000436757570 981548189 /nfs/dbraw/zinc/54/81/89/981548189.db2.gz IXHSDPCRTJYENP-UHFFFAOYSA-N 0 2 421.884 3.706 20 0 HHADLN CC[C@@H](C)Oc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1 ZINC000436763068 981551294 /nfs/dbraw/zinc/55/12/94/981551294.db2.gz VXUJSXYLLGPOIW-OAHLLOKOSA-N 0 2 418.515 3.606 20 0 HHADLN O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000436768720 981554000 /nfs/dbraw/zinc/55/40/00/981554000.db2.gz FRPDECVTMRPJJY-UHFFFAOYSA-N 0 2 409.820 3.750 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCN(c2cccs2)CC1 ZINC000436772101 981555522 /nfs/dbraw/zinc/55/55/22/981555522.db2.gz JZLMKKUBBSPCBB-UHFFFAOYSA-N 0 2 401.713 3.832 20 0 HHADLN O=C(c1cccc(Cl)c1)N1CCCN(C(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000436774275 981555997 /nfs/dbraw/zinc/55/59/97/981555997.db2.gz MNCHVNJSRJXHJT-UHFFFAOYSA-N 0 2 411.260 3.826 20 0 HHADLN COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1O ZINC000436775332 981556218 /nfs/dbraw/zinc/55/62/18/981556218.db2.gz ZPTFRZRYRNGMNA-UHFFFAOYSA-N 0 2 420.270 3.603 20 0 HHADLN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc(F)cc(Br)c2O)c(C)c1 ZINC000436847114 981587747 /nfs/dbraw/zinc/58/77/47/981587747.db2.gz JNRHPDWSEYZNHR-UHFFFAOYSA-N 0 2 423.282 3.930 20 0 HHADLN CC(C)NC(=O)Nc1ccc(CNC(=O)c2cc(F)cc(Br)c2O)cc1 ZINC000436848046 981588345 /nfs/dbraw/zinc/58/83/45/981588345.db2.gz MLTWICMTDZASEK-UHFFFAOYSA-N 0 2 424.270 3.754 20 0 HHADLN C[C@H](NC(=O)c1cc(F)cc(Br)c1O)c1nc(-c2cccc(F)c2)no1 ZINC000436852830 981591474 /nfs/dbraw/zinc/59/14/74/981591474.db2.gz PNLDIDFRSYNWFF-QMMMGPOBSA-N 0 2 424.201 3.974 20 0 HHADLN Cc1nc(COc2ccc(NC(=O)c3cc(F)cc(Br)c3O)cc2)no1 ZINC000436855277 981593490 /nfs/dbraw/zinc/59/34/90/981593490.db2.gz HMBQMENCUCDRRG-UHFFFAOYSA-N 0 2 422.210 3.817 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCN(c2cc(F)ccc2F)CC1 ZINC000436856883 981594041 /nfs/dbraw/zinc/59/40/41/981594041.db2.gz ZKXOAOPMNFAFNU-UHFFFAOYSA-N 0 2 415.209 3.534 20 0 HHADLN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)c1cc(F)cc(Br)c1O)C2 ZINC000436861086 981595644 /nfs/dbraw/zinc/59/56/44/981595644.db2.gz ZHIMZTYNKLRNLW-LLVKDONJSA-N 0 2 410.287 3.533 20 0 HHADLN Cc1cc(C)cc(N(C)C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)c1 ZINC000436906225 981612503 /nfs/dbraw/zinc/61/25/03/981612503.db2.gz BINFDLFVAHBJRU-UHFFFAOYSA-N 0 2 424.522 3.764 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000436912846 981618331 /nfs/dbraw/zinc/61/83/31/981618331.db2.gz UKULJFDVRFVIBS-JMCQJSRRSA-N 0 2 416.621 3.584 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000436931610 981630878 /nfs/dbraw/zinc/63/08/78/981630878.db2.gz LRSUZVQTELUKLB-IBGZPJMESA-N 0 2 406.251 3.904 20 0 HHADLN Cc1ccc(Cl)cc1-c1noc(-c2cc(S(=O)(=O)N3CCCC3)ccc2O)n1 ZINC000436940349 981635410 /nfs/dbraw/zinc/63/54/10/981635410.db2.gz VTCCGNNWPOUVAX-UHFFFAOYSA-N 0 2 419.890 3.856 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(-c2nc(CCC3CC3)no2)c1 ZINC000436956880 981645641 /nfs/dbraw/zinc/64/56/41/981645641.db2.gz PZNRTGDGEYHQMS-UHFFFAOYSA-N 0 2 415.471 3.594 20 0 HHADLN C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)c2ccccc21 ZINC000436985161 981667335 /nfs/dbraw/zinc/66/73/35/981667335.db2.gz CTDJXLKUSCWYRP-INIZCTEOSA-N 0 2 414.527 3.721 20 0 HHADLN CCC[C@@H](C)c1cc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)n[nH]1 ZINC000448415954 981766421 /nfs/dbraw/zinc/76/64/21/981766421.db2.gz IITULEDTGGTXRJ-GFCCVEGCSA-N 0 2 419.532 3.823 20 0 HHADLN CCc1nnc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 ZINC000437175713 981831097 /nfs/dbraw/zinc/83/10/97/981831097.db2.gz JESCHQABOILRPV-UHFFFAOYSA-N 0 2 405.345 3.939 20 0 HHADLN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)s2)cc1 ZINC000437177090 981832878 /nfs/dbraw/zinc/83/28/78/981832878.db2.gz SDLNWBMMNHXMBN-UHFFFAOYSA-N 0 2 419.503 3.908 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)ccc1C ZINC000437181967 981838451 /nfs/dbraw/zinc/83/84/51/981838451.db2.gz PRHRZWNBBHRIFY-UHFFFAOYSA-N 0 2 408.549 3.729 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cccc3ccccc32)ccc1I ZINC000437185574 981842110 /nfs/dbraw/zinc/84/21/10/981842110.db2.gz AKRSSFGKCXDJNW-UHFFFAOYSA-N 0 2 424.263 3.949 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)cc1OC ZINC000437188575 981844135 /nfs/dbraw/zinc/84/41/35/981844135.db2.gz IDIVWBOUQCGOAT-UHFFFAOYSA-N 0 2 411.549 3.787 20 0 HHADLN COC(=O)c1cc(C)nc2nc(NS(=O)(=O)c3cccc4ccccc43)sc21 ZINC000437187855 981844344 /nfs/dbraw/zinc/84/43/44/981844344.db2.gz FVYLAIMQRGVZCN-UHFFFAOYSA-N 0 2 413.480 3.740 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ncc(-c3cncc(F)c3)cn2)c1Br ZINC000448544246 981872833 /nfs/dbraw/zinc/87/28/33/981872833.db2.gz SEXNKQWEZDRWTQ-UHFFFAOYSA-N 0 2 423.267 3.549 20 0 HHADLN COCc1cccc2sc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)nc21 ZINC000437305917 981957176 /nfs/dbraw/zinc/95/71/76/981957176.db2.gz HJLCRSSZCPYEJB-UHFFFAOYSA-N 0 2 418.475 3.568 20 0 HHADLN CC[C@H]1CCc2nc(NS(=O)(=O)c3c(F)cc(NC(C)=O)cc3F)sc2C1 ZINC000437311415 981963704 /nfs/dbraw/zinc/96/37/04/981963704.db2.gz UVJODIHUKMDUSR-JTQLQIEISA-N 0 2 415.487 3.695 20 0 HHADLN C[C@H]1CN(Cc2csc(NS(=O)(=O)c3ccccc3C(C)(C)C)n2)C[C@H](C)O1 ZINC000437395632 982039990 /nfs/dbraw/zinc/03/99/90/982039990.db2.gz OJWKQMNRONUMRC-GJZGRUSLSA-N 0 2 423.604 3.851 20 0 HHADLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3csc(C(=O)OC)c3)sc2C1 ZINC000437396211 982041010 /nfs/dbraw/zinc/04/10/10/982041010.db2.gz PJDWAJYNZIPISH-SNVBAGLBSA-N 0 2 400.547 3.697 20 0 HHADLN Cn1nc(CC(C)(C)C)cc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000437397202 982041429 /nfs/dbraw/zinc/04/14/29/982041429.db2.gz SPLUBKDVCQHCBH-UHFFFAOYSA-N 0 2 404.305 3.711 20 0 HHADLN O=S(=O)(Nc1cccc(-c2ccc3c(c2)CCO3)n1)c1cc(F)c(F)c(F)c1 ZINC000437400034 982044454 /nfs/dbraw/zinc/04/44/54/982044454.db2.gz GZGTXSJUTZPXJS-UHFFFAOYSA-N 0 2 406.385 3.902 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2nc3ccc(C)cc3s2)cn1 ZINC000437403056 982047173 /nfs/dbraw/zinc/04/71/73/982047173.db2.gz IOLOAJBTWNYOKH-UHFFFAOYSA-N 0 2 400.485 3.600 20 0 HHADLN CC(C)(C)c1ccccc1S(=O)(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 ZINC000437405558 982049630 /nfs/dbraw/zinc/04/96/30/982049630.db2.gz LOWVCSFRWFVRSS-UHFFFAOYSA-N 0 2 424.569 3.798 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2nc(C)c(Cc3ccccc3F)s2)c1C ZINC000437406772 982050023 /nfs/dbraw/zinc/05/00/23/982050023.db2.gz DOYBLMZAHSNTPK-UHFFFAOYSA-N 0 2 408.524 3.815 20 0 HHADLN O=C(Nc1ccc(Br)c(F)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000460384994 982163147 /nfs/dbraw/zinc/16/31/47/982163147.db2.gz HPNDAXLTMBCFOQ-SECBINFHSA-N 0 2 413.193 3.858 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ncccc1OCC(F)(F)F ZINC000437558972 982191032 /nfs/dbraw/zinc/19/10/32/982191032.db2.gz PAQUHACXIQRVSC-UHFFFAOYSA-N 0 2 414.796 3.869 20 0 HHADLN CC(=O)Nc1cc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)ccc1F ZINC000460412146 982196319 /nfs/dbraw/zinc/19/63/19/982196319.db2.gz LQNWYHDHJSOKPV-UHFFFAOYSA-N 0 2 422.869 3.732 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1cccnc1-c1csc(C)c1 ZINC000437682370 982295328 /nfs/dbraw/zinc/29/53/28/982295328.db2.gz SZZGFCKZBYXRAU-UHFFFAOYSA-N 0 2 404.513 3.945 20 0 HHADLN C[C@@H]1C[C@H](NC(=O)c2ccccc2-c2nc(C(C)(C)C)no2)C(=O)N1c1ccccc1 ZINC000460527816 982315013 /nfs/dbraw/zinc/31/50/13/982315013.db2.gz YUIPWMDKYPOBSB-BEFAXECRSA-N 0 2 418.497 3.958 20 0 HHADLN O=S(=O)([N-]c1c[nH+]c2c(Br)cccn12)c1cccc(Cl)c1F ZINC000460648308 982421367 /nfs/dbraw/zinc/42/13/67/982421367.db2.gz KNEBKQRSUFCZBY-UHFFFAOYSA-N 0 2 404.648 3.690 20 0 HHADLN O=S(=O)(Nc1cnc2c(Br)cccn12)c1cccc(Cl)c1F ZINC000460648308 982421368 /nfs/dbraw/zinc/42/13/68/982421368.db2.gz KNEBKQRSUFCZBY-UHFFFAOYSA-N 0 2 404.648 3.690 20 0 HHADLN O=S(=O)(Nc1nc(C2CC2)c(Cc2ccccc2F)s1)c1cnc2n1CCC2 ZINC000437939201 982473634 /nfs/dbraw/zinc/47/36/34/982473634.db2.gz FHKFQBAZZQAJSR-UHFFFAOYSA-N 0 2 418.519 3.694 20 0 HHADLN COc1ccc(NC(C)=O)c(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 ZINC000460835624 982585615 /nfs/dbraw/zinc/58/56/15/982585615.db2.gz LSNXSYMUILBTCJ-UHFFFAOYSA-N 0 2 419.286 3.770 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)=N1 ZINC000438179416 982635374 /nfs/dbraw/zinc/63/53/74/982635374.db2.gz QCOUFEGOZNWGNV-SFHVURJKSA-N 0 2 411.477 3.558 20 0 HHADLN C[C@H](C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1cccc(Cl)c1 ZINC000460958371 982690417 /nfs/dbraw/zinc/69/04/17/982690417.db2.gz OHWONNZVCPSOBE-NSHDSACASA-N 0 2 422.919 3.735 20 0 HHADLN O=S(=O)(Nc1nnc([C@H]2Cc3ccccc3O2)o1)c1ccc(C(F)(F)F)s1 ZINC000461109320 982798899 /nfs/dbraw/zinc/79/88/99/982798899.db2.gz BITRLCURXYIOCM-SNVBAGLBSA-N 0 2 417.390 3.627 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc3c(cn2)CCCC3)cc1C(F)(F)F ZINC000461212982 982926528 /nfs/dbraw/zinc/92/65/28/982926528.db2.gz SLHAVBYSYACDBH-UHFFFAOYSA-N 0 2 414.405 3.567 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cccc(Oc3ccccn3)c2)cn1 ZINC000438720547 983024960 /nfs/dbraw/zinc/02/49/60/983024960.db2.gz YCVKUFPYNSXKJK-UHFFFAOYSA-N 0 2 422.466 3.869 20 0 HHADLN CCOC(=O)COc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000461346061 983031191 /nfs/dbraw/zinc/03/11/91/983031191.db2.gz GERUSMZAESROPB-UHFFFAOYSA-N 0 2 409.407 3.510 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)cs1 ZINC000438806793 983083241 /nfs/dbraw/zinc/08/32/41/983083241.db2.gz QMVXVVRHVFUUNO-UHFFFAOYSA-N 0 2 416.480 3.588 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cccc(OCC(C)C)c2)cn1 ZINC000438815573 983089513 /nfs/dbraw/zinc/08/95/13/983089513.db2.gz STRSPDXQZJTHAI-UHFFFAOYSA-N 0 2 401.488 3.717 20 0 HHADLN CCN(CC)C(=O)C1CCN(C(=O)c2cc(Cl)cc(Br)c2O)CC1 ZINC000438934941 983163602 /nfs/dbraw/zinc/16/36/02/983163602.db2.gz IBABSBKRVBGUBM-UHFFFAOYSA-N 0 2 417.731 3.529 20 0 HHADLN C[C@@H](Cn1cc[nH+]c1)NC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC000438991772 983198970 /nfs/dbraw/zinc/19/89/70/983198970.db2.gz APNRKNLIQZFCRY-VIFPVBQESA-N 0 2 414.680 3.553 20 0 HHADLN CCOC(=O)c1nc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)sc1C(C)=O ZINC000438995338 983200451 /nfs/dbraw/zinc/20/04/51/983200451.db2.gz BVRKAGSNWJIZTR-UHFFFAOYSA-N 0 2 423.299 3.630 20 0 HHADLN COCCn1cc(S(=O)(=O)Nc2cccc(CSC3CCCCC3)c2)cn1 ZINC000439040342 983223590 /nfs/dbraw/zinc/22/35/90/983223590.db2.gz NFCCHFZHEMNYQK-UHFFFAOYSA-N 0 2 409.577 3.896 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)=N1 ZINC000439071020 983237003 /nfs/dbraw/zinc/23/70/03/983237003.db2.gz OEJJXLWXCQJCFN-WNNBVUDTSA-N 0 2 411.527 3.711 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)=N1 ZINC000439123491 983261134 /nfs/dbraw/zinc/26/11/34/983261134.db2.gz KAPHQOIFGRRXIN-OAHLLOKOSA-N 0 2 417.469 3.605 20 0 HHADLN Cn1c2ccccc2nc1[C@@H](NC(=O)C1=NN(c2ccccc2)CC1=O)c1ccccc1 ZINC000439185464 983297378 /nfs/dbraw/zinc/29/73/78/983297378.db2.gz JDRVYEHZXYNLLL-QFIPXVFZSA-N 0 2 423.476 3.984 20 0 HHADLN C[C@H](CC(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1cccnc1 ZINC000439251937 983332684 /nfs/dbraw/zinc/33/26/84/983332684.db2.gz YHWVFDLVAYYGKV-SNVBAGLBSA-N 0 2 404.243 3.901 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000439370901 983382647 /nfs/dbraw/zinc/38/26/47/983382647.db2.gz KOPXXGUABQYMSU-IMJJTQAJSA-N 0 2 406.939 3.828 20 0 HHADLN CC(=O)Nc1ccc2nc(NS(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)sc2c1 ZINC000439874185 983564613 /nfs/dbraw/zinc/56/46/13/983564613.db2.gz BENPWOFEIXCRLW-UHFFFAOYSA-N 0 2 417.512 3.769 20 0 HHADLN CN1CCc2ccc(S(=O)(=O)Nc3ccnn3Cc3ccc(Cl)c(F)c3)cc21 ZINC000439879570 983566903 /nfs/dbraw/zinc/56/69/03/983566903.db2.gz HHLUCHKVSVXCDP-UHFFFAOYSA-N 0 2 420.897 3.517 20 0 HHADLN Cc1ccccc1COc1cccc(NC(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)c1 ZINC000440338247 983727794 /nfs/dbraw/zinc/72/77/94/983727794.db2.gz LDICUWWHOZNMDP-UHFFFAOYSA-N 0 2 424.526 3.722 20 0 HHADLN Cc1c(CSC(C)C)cccc1NS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000440820393 983921678 /nfs/dbraw/zinc/92/16/78/983921678.db2.gz OEICBLYJRXXKBV-UHFFFAOYSA-N 0 2 409.577 3.985 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)cc1Cl ZINC000440839075 983932036 /nfs/dbraw/zinc/93/20/36/983932036.db2.gz ZGCXYAWNVZLFFD-UHFFFAOYSA-N 0 2 409.769 3.652 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)cn2)cc1Cl ZINC000441375356 984217554 /nfs/dbraw/zinc/21/75/54/984217554.db2.gz HZJJPTOPRUHOCL-UHFFFAOYSA-N 0 2 402.859 3.989 20 0 HHADLN Cc1ccnc(Oc2ccc(NS(=O)(=O)c3cnn(-c4ccccc4)c3)cc2)n1 ZINC000441722096 984415261 /nfs/dbraw/zinc/41/52/61/984415261.db2.gz YRYAURPGTWWSIQ-UHFFFAOYSA-N 0 2 407.455 3.564 20 0 HHADLN CC[C@H]1CCc2nc(NC(=O)NCc3nnc(COc4ccccc4)[nH]3)sc2C1 ZINC000441947459 984558143 /nfs/dbraw/zinc/55/81/43/984558143.db2.gz KHBNZJJGOPLQLE-ZDUSSCGKSA-N 0 2 412.519 3.677 20 0 HHADLN O=C(NCc1n[nH]c(=O)[nH]1)Nc1ccc(Oc2cccc(F)c2)c(Br)c1 ZINC000442055623 984614477 /nfs/dbraw/zinc/61/44/77/984614477.db2.gz AOWUATBOFXNUFR-UHFFFAOYSA-N 0 2 422.214 3.526 20 0 HHADLN Cc1cc(N2CC[NH+]=C2[O-])ccc1NS(=O)(=O)c1ccc(OCCC(C)C)cc1 ZINC000442226005 984745591 /nfs/dbraw/zinc/74/55/91/984745591.db2.gz XNVFELWRAYPLBP-UHFFFAOYSA-N 0 2 417.531 3.750 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000442237015 984757588 /nfs/dbraw/zinc/75/75/88/984757588.db2.gz WDPZCRSEUULCDJ-UHFFFAOYSA-N 0 2 405.806 3.919 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(C)cc1OCC(F)(F)F ZINC000442359710 984865670 /nfs/dbraw/zinc/86/56/70/984865670.db2.gz RKKAHCUCUZTFLV-UHFFFAOYSA-N 0 2 417.405 3.914 20 0 HHADLN C[C@@H](N=c1nc(C(C)(C)C)[nH]s1)c1ccc(Br)cc1OCCCO ZINC000461994928 984976754 /nfs/dbraw/zinc/97/67/54/984976754.db2.gz LHKFDDPGCQDRFR-LLVKDONJSA-N 0 2 414.369 3.954 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)cnn1-c1ccccn1 ZINC000462069086 985040970 /nfs/dbraw/zinc/04/09/70/985040970.db2.gz BEDOJNMHJFASOU-UHFFFAOYSA-N 0 2 414.821 3.631 20 0 HHADLN Cc1ccc(Cl)c2ccc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)nc12 ZINC000442616032 985093816 /nfs/dbraw/zinc/09/38/16/985093816.db2.gz DURNUNLYIKTYJK-UHFFFAOYSA-N 0 2 403.891 3.699 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000442811406 985223887 /nfs/dbraw/zinc/22/38/87/985223887.db2.gz PCVPQXIKMNGTHZ-UHFFFAOYSA-N 0 2 413.565 3.893 20 0 HHADLN CCOCCOCc1cccc(NS(=O)(=O)c2cnccc2C(F)(F)F)c1C ZINC000442813720 985224740 /nfs/dbraw/zinc/22/47/40/985224740.db2.gz GSFABUOLUZHJCY-UHFFFAOYSA-N 0 2 418.437 3.763 20 0 HHADLN CCCc1c(NS(=O)(=O)c2c(C)csc2C(=O)OC)cnn1-c1ccccc1 ZINC000442823899 985229332 /nfs/dbraw/zinc/22/93/32/985229332.db2.gz IUONQBBNHAZBIG-UHFFFAOYSA-N 0 2 419.528 3.782 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)c(OC)c1 ZINC000442831679 985234455 /nfs/dbraw/zinc/23/44/55/985234455.db2.gz WQQYJHJKHFNNCW-UHFFFAOYSA-N 0 2 405.472 3.511 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000442841394 985240759 /nfs/dbraw/zinc/24/07/59/985240759.db2.gz MNZFKRKAQYOFRM-UHFFFAOYSA-N 0 2 415.492 3.875 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)C(C)(C)C)cc2)c(F)cc1F ZINC000442844887 985243282 /nfs/dbraw/zinc/24/32/82/985243282.db2.gz WOBPCHVCXSLINH-UHFFFAOYSA-N 0 2 403.472 3.646 20 0 HHADLN CCC1(C)Oc2ccc(NC(=O)CCNS(=O)(=O)c3cccc(Cl)c3)cc2O1 ZINC000442989242 985321567 /nfs/dbraw/zinc/32/15/67/985321567.db2.gz ONKXBVXLHJYPAU-IBGZPJMESA-N 0 2 424.906 3.545 20 0 HHADLN CCc1ccc(CCNS(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)cc1 ZINC000462332985 985323350 /nfs/dbraw/zinc/32/33/50/985323350.db2.gz HYRHRGWQUNTWGM-UHFFFAOYSA-N 0 2 416.877 3.660 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC(C)(C)c2cccc(F)c2)c(F)c1Cl ZINC000462334071 985324305 /nfs/dbraw/zinc/32/43/05/985324305.db2.gz SFCDSYNMWDAWAN-UHFFFAOYSA-N 0 2 420.840 3.929 20 0 HHADLN CS[C@@H]1CCC[C@@H](NS(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)C1 ZINC000462347044 985336278 /nfs/dbraw/zinc/33/62/78/985336278.db2.gz PFJRTJFAWXOJCS-NXEZZACHSA-N 0 2 412.911 3.529 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)c(OC)c1 ZINC000443158389 985415623 /nfs/dbraw/zinc/41/56/23/985415623.db2.gz OINCARQLWWUIRM-UHFFFAOYSA-N 0 2 412.876 3.546 20 0 HHADLN Cc1ccc2oc(-c3nnc(NS(=O)(=O)c4ccc5c(c4)C[C@@H](C)O5)o3)cc2c1 ZINC000443159668 985416723 /nfs/dbraw/zinc/41/67/23/985416723.db2.gz MBRATHLTHAMIQQ-GFCCVEGCSA-N 0 2 411.439 3.915 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)c1 ZINC000443423104 985579964 /nfs/dbraw/zinc/57/99/64/985579964.db2.gz PNSABRDJOHFKFC-UHFFFAOYSA-N 0 2 413.499 3.643 20 0 HHADLN Nc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)cc1OCCC(F)(F)F ZINC000443528606 985699392 /nfs/dbraw/zinc/69/93/92/985699392.db2.gz FGBXQWKCQMRNTR-UHFFFAOYSA-N 0 2 413.780 3.588 20 0 HHADLN CCOc1c(F)cccc1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443579329 985754374 /nfs/dbraw/zinc/75/43/74/985754374.db2.gz IHYBGQLCBZBWFL-UHFFFAOYSA-N 0 2 421.475 3.734 20 0 HHADLN COc1cccc(Cn2nccc2NS(=O)(=O)c2ccccc2C(C)C)c1OC ZINC000468340191 986035675 /nfs/dbraw/zinc/03/56/75/986035675.db2.gz FVFCQQDPNSFQMU-UHFFFAOYSA-N 0 2 415.515 3.873 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC[C@H](c4nncn4C4CC4)C3)=N2)cc1 ZINC000443860589 986062996 /nfs/dbraw/zinc/06/29/96/986062996.db2.gz ILSYFRSSQXOMPM-KRWDZBQOSA-N 0 2 420.517 3.648 20 0 HHADLN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(Cl)c(O)c(Cl)c3)CC(=O)N2C)cc1 ZINC000463107153 986068140 /nfs/dbraw/zinc/06/81/40/986068140.db2.gz LIBRSIDLCPNFBA-SUMWQHHRSA-N 0 2 409.269 3.866 20 0 HHADLN O=C(CCc1nc(-c2ccoc2)no1)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463158431 986129631 /nfs/dbraw/zinc/12/96/31/986129631.db2.gz APLIUNQQQDRQPR-UHFFFAOYSA-N 0 2 419.228 3.993 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000463160197 986131732 /nfs/dbraw/zinc/13/17/32/986131732.db2.gz DFOPHVWSGIYKQF-NSHDSACASA-N 0 2 420.231 3.982 20 0 HHADLN COc1cc2c(cc1C(=O)Nc1nc(-c3cc(Cl)ccc3Cl)n[nH]1)OCO2 ZINC000463166825 986138420 /nfs/dbraw/zinc/13/84/20/986138420.db2.gz CTULVPSFXGDZGH-UHFFFAOYSA-N 0 2 407.213 3.768 20 0 HHADLN CCc1n[nH]c(=O)c(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c1CC ZINC000463166781 986138435 /nfs/dbraw/zinc/13/84/35/986138435.db2.gz CHSLFIIWMNFSTH-UHFFFAOYSA-N 0 2 407.261 3.651 20 0 HHADLN C[C@H](CC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)NC(=O)C1CCCC1 ZINC000463166682 986138574 /nfs/dbraw/zinc/13/85/74/986138574.db2.gz ZMLMXJSDRAWMRV-SNVBAGLBSA-N 0 2 410.305 3.802 20 0 HHADLN COCCOc1cccc(CC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c1 ZINC000463171439 986143053 /nfs/dbraw/zinc/14/30/53/986143053.db2.gz NEYJJMVJOWUXKV-UHFFFAOYSA-N 0 2 421.284 3.985 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cc(NC(=O)C(C)C)ccc1C ZINC000468542576 986248747 /nfs/dbraw/zinc/24/87/47/986248747.db2.gz ONTMRFMXQDBQCP-UHFFFAOYSA-N 0 2 424.494 3.555 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)Nc2nnc(-c3ccoc3C)o2)s1 ZINC000444065410 986268236 /nfs/dbraw/zinc/26/82/36/986268236.db2.gz MEILBCWBGORHRI-UHFFFAOYSA-N 0 2 404.267 3.571 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)o2)c(C)o1 ZINC000463378287 986344867 /nfs/dbraw/zinc/34/48/67/986344867.db2.gz CXXCZORKMZITJY-UHFFFAOYSA-N 0 2 405.329 3.905 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)=N1 ZINC000468748190 986461331 /nfs/dbraw/zinc/46/13/31/986461331.db2.gz NVGNGBMIEAYYJW-MMEWPQADSA-N 0 2 415.490 3.596 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nccc(-c2ccco2)n1 ZINC000468760283 986474095 /nfs/dbraw/zinc/47/40/95/986474095.db2.gz ANGZOCFMHGYBDI-LBPRGKRZSA-N 0 2 423.878 3.605 20 0 HHADLN O=c1ccc2cc(S(=O)(=O)Nc3nnc(-c4cc5ccccc5o4)s3)ccc2[nH]1 ZINC000468793599 986503670 /nfs/dbraw/zinc/50/36/70/986503670.db2.gz CVRNAJCSOHHNDM-UHFFFAOYSA-N 0 2 424.463 3.594 20 0 HHADLN Cc1ccc(-c2cnc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)s2)c(C)c1 ZINC000468859849 986568695 /nfs/dbraw/zinc/56/86/95/986568695.db2.gz IFPGXLQPHALIOI-UHFFFAOYSA-N 0 2 415.496 3.673 20 0 HHADLN CCCc1cnc(NS(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)s1 ZINC000468889111 986595847 /nfs/dbraw/zinc/59/58/47/986595847.db2.gz HIQJWJSOYLBAHU-LLVKDONJSA-N 0 2 404.941 3.964 20 0 HHADLN Cc1cnn(Cc2ccccc2F)c1NS(=O)(=O)c1ccccc1Br ZINC000468974079 986679042 /nfs/dbraw/zinc/67/90/42/986679042.db2.gz OORRMVJVWALUEN-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)c1C ZINC000469004520 986710756 /nfs/dbraw/zinc/71/07/56/986710756.db2.gz QBDRWFDGMJIUAH-UHFFFAOYSA-N 0 2 403.489 3.585 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000469058986 986770349 /nfs/dbraw/zinc/77/03/49/986770349.db2.gz UEKBEKOBENHGCG-UHFFFAOYSA-N 0 2 422.503 3.699 20 0 HHADLN NC(=O)[C@@H]1CCC[C@@H](C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)C1 ZINC000469378190 987074563 /nfs/dbraw/zinc/07/45/63/987074563.db2.gz BWYRXOJOYQFHLI-GDBMZVCRSA-N 0 2 422.510 3.650 20 0 HHADLN O=C(Nc1cc(Cl)ccc1OCC1CCC1)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000469895629 987531754 /nfs/dbraw/zinc/53/17/54/987531754.db2.gz FKDSVIZQUMCBEL-UHFFFAOYSA-N 0 2 400.822 3.521 20 0 HHADLN CCOC(=O)c1c(NS(=O)(=O)c2cc(Cl)ccc2C)cc(OC)cc1OC ZINC000470447325 988425310 /nfs/dbraw/zinc/42/53/10/988425310.db2.gz ZQZVFYGPSOIVCK-UHFFFAOYSA-N 0 2 413.879 3.643 20 0 HHADLN O=C(CCc1nnc(C2CCCC2)o1)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000471057097 989139651 /nfs/dbraw/zinc/13/96/51/989139651.db2.gz VJVSJDPEPAWGJL-UHFFFAOYSA-N 0 2 403.895 3.892 20 0 HHADLN CN(C)c1nc2ccc(NS(=O)(=O)c3cc(Br)ccc3F)cc2o1 ZINC000464915281 989194640 /nfs/dbraw/zinc/19/46/40/989194640.db2.gz XEPNNEUBLJOULL-UHFFFAOYSA-N 0 2 414.256 3.596 20 0 HHADLN CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000471117297 989221707 /nfs/dbraw/zinc/22/17/07/989221707.db2.gz UEPJJOGMZSVXCE-UHFFFAOYSA-N 0 2 414.886 3.689 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccco2)s1)c1ccc(F)cc1Br ZINC000471495202 989693155 /nfs/dbraw/zinc/69/31/55/989693155.db2.gz HEVGIDDEMPLOQG-UHFFFAOYSA-N 0 2 404.242 3.501 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1ccc(Br)cc1 ZINC000471510442 989708749 /nfs/dbraw/zinc/70/87/49/989708749.db2.gz LNFTXCFDZHGNAZ-UHFFFAOYSA-N 0 2 402.320 3.830 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2ccc3c(c2)OCCO3)s1)c1ccccc1 ZINC000471511443 989710344 /nfs/dbraw/zinc/71/03/44/989710344.db2.gz IMOCXTREHXKSDH-HNNXBMFYSA-N 0 2 417.512 3.652 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccco2)s1)c1cc(Br)ccc1F ZINC000471522881 989722528 /nfs/dbraw/zinc/72/25/28/989722528.db2.gz ZDVDBUCEUXJOLK-UHFFFAOYSA-N 0 2 404.242 3.501 20 0 HHADLN Cc1cc(Br)c(F)cc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000471959825 990124629 /nfs/dbraw/zinc/12/46/29/990124629.db2.gz ZNWGFXGDQZJKJF-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2c(C)cccc2SC)c1 ZINC000471993593 990161156 /nfs/dbraw/zinc/16/11/56/990161156.db2.gz VAWJLWTYDSTHES-UHFFFAOYSA-N 0 2 413.492 3.842 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C ZINC000466281717 991527939 /nfs/dbraw/zinc/52/79/39/991527939.db2.gz VORYZFFUPHRTQK-UHFFFAOYSA-N 0 2 411.499 3.662 20 0 HHADLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3cccc(F)c3C(=O)OC)sc2C1 ZINC000466368681 991642033 /nfs/dbraw/zinc/64/20/33/991642033.db2.gz NNZITEBIDNSGOZ-LLVKDONJSA-N 0 2 412.508 3.775 20 0 HHADLN COC(=O)c1ccc(C(C)C)c(NS(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000466475890 991768218 /nfs/dbraw/zinc/76/82/18/991768218.db2.gz VWOHXIOMLBDYBY-UHFFFAOYSA-N 0 2 402.394 3.811 20 0 HHADLN COC(=O)[C@H](NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(F)c(C)c1 ZINC000466512987 991799597 /nfs/dbraw/zinc/79/95/97/991799597.db2.gz DSLVQBXDIVHXCS-GFCCVEGCSA-N 0 2 412.291 3.695 20 0 HHADLN CCn1c2ccc(S(=O)(=O)Nc3cnccc3Oc3ccccc3)cc2oc1=O ZINC000467020267 992328634 /nfs/dbraw/zinc/32/86/34/992328634.db2.gz AHKYQSPWWHPCLC-UHFFFAOYSA-N 0 2 411.439 3.603 20 0 HHADLN CC(C)(C)OC(=O)Cc1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000467083436 992389487 /nfs/dbraw/zinc/38/94/87/992389487.db2.gz GCKCKSVYEQXECO-UHFFFAOYSA-N 0 2 401.406 3.789 20 0 HHADLN CCOC(=O)c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cn1C ZINC000467323206 992644269 /nfs/dbraw/zinc/64/42/69/992644269.db2.gz QFWRZYUABMEYCF-UHFFFAOYSA-N 0 2 410.801 3.675 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000467458217 992751805 /nfs/dbraw/zinc/75/18/05/992751805.db2.gz QOBYDWSEGZRWTQ-UHFFFAOYSA-N 0 2 404.402 3.875 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1nc2c(ccc(F)c2F)s1 ZINC000467468758 992761348 /nfs/dbraw/zinc/76/13/48/992761348.db2.gz PCNKHFSCJYDBTD-UHFFFAOYSA-N 0 2 407.427 3.949 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NCCc3nnc(-c4ccccc4)o3)=N2)cc1 ZINC000467607130 992875187 /nfs/dbraw/zinc/87/51/87/992875187.db2.gz ITEOTXWUXFKZGX-UHFFFAOYSA-N 0 2 417.469 3.724 20 0 HHADLN CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000467756515 993001027 /nfs/dbraw/zinc/00/10/27/993001027.db2.gz VIHRNERTJIHESV-YOEHRIQHSA-N 0 2 423.560 3.868 20 0 HHADLN Cc1nc2ccc(C(=O)Nc3cccc(S(=O)(=O)Nc4nccs4)c3)cc2o1 ZINC000472268903 993291576 /nfs/dbraw/zinc/29/15/76/993291576.db2.gz KVDHNOLIBYBYBK-UHFFFAOYSA-N 0 2 414.468 3.646 20 0 HHADLN CC(C)Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)[nH]n1 ZINC000472426321 993425337 /nfs/dbraw/zinc/42/53/37/993425337.db2.gz BAHBURPBDKULEQ-UHFFFAOYSA-N 0 2 416.478 3.800 20 0 HHADLN CC[C@@H]1CN(C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)[C@H](CC)CN1C(C)=O ZINC000472614722 993562806 /nfs/dbraw/zinc/56/28/06/993562806.db2.gz XSXRUZVLMIQVPY-RTBURBONSA-N 0 2 412.534 3.563 20 0 HHADLN Cc1ccc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1Br ZINC000473512720 994364714 /nfs/dbraw/zinc/36/47/14/994364714.db2.gz ZETLRGKHKDIDSC-UHFFFAOYSA-N 0 2 416.279 3.776 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)cnn1-c1ccccn1 ZINC000481600258 994448794 /nfs/dbraw/zinc/44/87/94/994448794.db2.gz YRRJNQQGKIEYEM-UHFFFAOYSA-N 0 2 407.455 3.564 20 0 HHADLN CCc1cc(Br)ccc1NS(=O)(=O)c1cnn(-c2ccccn2)c1C ZINC000481616427 994474627 /nfs/dbraw/zinc/47/46/27/994474627.db2.gz ZEPZYAZFLIHDAR-UHFFFAOYSA-N 0 2 421.320 3.701 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC(O)(Cc3cccc(C)c3)CC2)=N1 ZINC000481672480 994532618 /nfs/dbraw/zinc/53/26/18/994532618.db2.gz ZQOXWWOFMAQFAX-UHFFFAOYSA-N 0 2 419.525 3.659 20 0 HHADLN O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000473745640 994649593 /nfs/dbraw/zinc/64/95/93/994649593.db2.gz PXLTWWXHBPNFCJ-GOTSBHOMSA-N 0 2 412.445 3.709 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000473770120 994690167 /nfs/dbraw/zinc/69/01/67/994690167.db2.gz ILNFKCGHLOPMLY-HXUWFJFHSA-N 0 2 412.902 3.944 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c(F)c1 ZINC000481843917 994698695 /nfs/dbraw/zinc/69/86/95/994698695.db2.gz JNVCAJANLSJEKW-UHFFFAOYSA-N 0 2 417.846 3.946 20 0 HHADLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nnc(-c3cc(F)ccc3C)s2)c1 ZINC000481850593 994707871 /nfs/dbraw/zinc/70/78/71/994707871.db2.gz ZFCOAPQNWLOQHB-UHFFFAOYSA-N 0 2 421.475 3.548 20 0 HHADLN Cc1cc2c(cc1S(=O)(=O)Nc1cc(-c3ccc(Cl)s3)nn1C)OCO2 ZINC000481855788 994711837 /nfs/dbraw/zinc/71/18/37/994711837.db2.gz DIGPTIVJEGYWLR-UHFFFAOYSA-N 0 2 411.892 3.640 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2ccc(N3CCCCC3)c3ncccc23)c1C ZINC000481855366 994712324 /nfs/dbraw/zinc/71/23/24/994712324.db2.gz CYTRVYWLDAKRLX-UHFFFAOYSA-N 0 2 413.547 3.859 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3ccc(OCC(C)C)cc3)o2)c1 ZINC000481861217 994720331 /nfs/dbraw/zinc/72/03/31/994720331.db2.gz CONCXKKUWCWPEV-UHFFFAOYSA-N 0 2 417.487 3.505 20 0 HHADLN Cc1csc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)n1 ZINC000481869049 994731614 /nfs/dbraw/zinc/73/16/14/994731614.db2.gz OLXFJVPRFZNNMT-CYBMUJFWSA-N 0 2 402.925 3.854 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)o2)c1 ZINC000481871951 994735520 /nfs/dbraw/zinc/73/55/20/994735520.db2.gz VNPOHMHDAKPGOE-UHFFFAOYSA-N 0 2 401.488 3.703 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)o2)c1 ZINC000481872544 994736731 /nfs/dbraw/zinc/73/67/31/994736731.db2.gz UINQUOQJKPSCMI-UHFFFAOYSA-N 0 2 414.270 3.777 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(OC)c3)o2)cc1CC ZINC000481883539 994748968 /nfs/dbraw/zinc/74/89/68/994748968.db2.gz QCBYCUHDZBZYEU-UHFFFAOYSA-N 0 2 401.488 3.595 20 0 HHADLN COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc4cc(F)c(C)cc4s3)cc2)CC1 ZINC000481885203 994750666 /nfs/dbraw/zinc/75/06/66/994750666.db2.gz RJNDMGZOFBTROB-UHFFFAOYSA-N 0 2 420.487 3.749 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(CC(C)(C)C)nn2C)c2ccccc12 ZINC000481895437 994765686 /nfs/dbraw/zinc/76/56/86/994765686.db2.gz CROLKPFOKVXBPS-UHFFFAOYSA-N 0 2 414.531 3.921 20 0 HHADLN COC(=O)c1cccc(CS(=O)(=O)Nc2cc(-c3ccc(Cl)s3)on2)c1 ZINC000481896749 994767283 /nfs/dbraw/zinc/76/72/83/994767283.db2.gz ZSCNBFXGKWTLRP-UHFFFAOYSA-N 0 2 412.876 3.785 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1OCC ZINC000481923679 994795581 /nfs/dbraw/zinc/79/55/81/994795581.db2.gz OFKVVFCMOWBZKG-UHFFFAOYSA-N 0 2 413.517 3.750 20 0 HHADLN Cc1ccc2cccnc2c1S(=O)(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000481939459 994815093 /nfs/dbraw/zinc/81/50/93/994815093.db2.gz AWHALHOQUUQBFL-UHFFFAOYSA-N 0 2 414.487 3.925 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(-c3ccco3)s2)c2ccccc12 ZINC000481945096 994822559 /nfs/dbraw/zinc/82/25/59/994822559.db2.gz RLGQEYUQXDNVFK-UHFFFAOYSA-N 0 2 414.468 3.711 20 0 HHADLN Cc1ccc2cccnc2c1S(=O)(=O)Nc1nc(-c2ccccc2Cl)ns1 ZINC000481946177 994825227 /nfs/dbraw/zinc/82/52/27/994825227.db2.gz UNMUWLXLUSVRBH-UHFFFAOYSA-N 0 2 416.915 3.938 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NC(c1ccccc1)c1ccccc1 ZINC000473891457 994843684 /nfs/dbraw/zinc/84/36/84/994843684.db2.gz UCAKUHWFEYORQZ-UHFFFAOYSA-N 0 2 413.481 3.973 20 0 HHADLN C[C@@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccccc1C(F)(F)F ZINC000473900660 994858232 /nfs/dbraw/zinc/85/82/32/994858232.db2.gz DAPPITCBJQFNIR-CYBMUJFWSA-N 0 2 419.407 3.963 20 0 HHADLN CC(C)(C)c1ccccc1OCCNC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473908639 994870674 /nfs/dbraw/zinc/87/06/74/994870674.db2.gz GNTHUBWUQLXFMU-UHFFFAOYSA-N 0 2 423.517 3.559 20 0 HHADLN CCSc1nnc(NS(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)s1 ZINC000481980774 994877688 /nfs/dbraw/zinc/87/76/88/994877688.db2.gz BIFAAJWGASUTIH-UHFFFAOYSA-N 0 2 408.530 3.563 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000473915456 994882369 /nfs/dbraw/zinc/88/23/69/994882369.db2.gz UGCUSANPZJNLAU-UXHICEINSA-N 0 2 405.502 3.909 20 0 HHADLN CCOC(=O)c1oc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)nc1C ZINC000481992852 994893829 /nfs/dbraw/zinc/89/38/29/994893829.db2.gz VTEXAOQXMWAIFN-UHFFFAOYSA-N 0 2 400.865 3.829 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NCC1(c2ccc(Cl)cc2)CC1 ZINC000473935262 994908842 /nfs/dbraw/zinc/90/88/42/994908842.db2.gz AWABHOFRSRZDDV-UHFFFAOYSA-N 0 2 411.893 3.568 20 0 HHADLN CC[C@@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1cc(F)ccc1F ZINC000474027912 995019705 /nfs/dbraw/zinc/01/97/05/995019705.db2.gz DYGFBLVAWPHYAL-QGZVFWFLSA-N 0 2 401.417 3.612 20 0 HHADLN O=C(NCc1csc(-c2ccccc2)n1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474032787 995023100 /nfs/dbraw/zinc/02/31/00/995023100.db2.gz JZMJZDYHKBNRDT-UHFFFAOYSA-N 0 2 420.498 3.507 20 0 HHADLN COc1ccccc1[C@H](CC(C)C)NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474046588 995037335 /nfs/dbraw/zinc/03/73/35/995037335.db2.gz RTZHCFDSATVPAK-IBGZPJMESA-N 0 2 423.517 3.979 20 0 HHADLN CCCCO[C@@H]1C[C@@H](N(C)C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1(C)C ZINC000474075190 995060548 /nfs/dbraw/zinc/06/05/48/995060548.db2.gz VLXAGCIFPFZQBD-QZTJIDSGSA-N 0 2 415.538 3.509 20 0 HHADLN CN(Cc1cccc2ccccc21)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474075819 995061113 /nfs/dbraw/zinc/06/11/13/995061113.db2.gz QPXHCMVFJNVSDF-UHFFFAOYSA-N 0 2 401.470 3.879 20 0 HHADLN CC1(C)CN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C[C@H]1c1ccccc1 ZINC000474084814 995068274 /nfs/dbraw/zinc/06/82/74/995068274.db2.gz SMLKUVQIDLDGPI-IBGZPJMESA-N 0 2 405.502 3.719 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCC(Cc2ccccc2)CC1 ZINC000474087713 995069651 /nfs/dbraw/zinc/06/96/51/995069651.db2.gz HKCZETATWOJLCC-UHFFFAOYSA-N 0 2 405.502 3.548 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CC[C@@H](CSc2ccccc2)C1 ZINC000474095759 995076878 /nfs/dbraw/zinc/07/68/78/995076878.db2.gz NLQIZVRFJKITNV-QGZVFWFLSA-N 0 2 423.542 3.708 20 0 HHADLN O=C(NC1(c2cc(C(F)(F)F)ccc2Cl)CC1)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000482174707 995137168 /nfs/dbraw/zinc/13/71/68/995137168.db2.gz IQIQULZKHMRSEX-UHFFFAOYSA-N 0 2 424.766 3.527 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1F ZINC000474312152 995298669 /nfs/dbraw/zinc/29/86/69/995298669.db2.gz NXTJBAPRXRBJRB-UHFFFAOYSA-N 0 2 423.853 3.561 20 0 HHADLN O=C(CNC(=O)c1ccc(Br)cc1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000474357956 995338743 /nfs/dbraw/zinc/33/87/43/995338743.db2.gz VWIIOHJVFQRIDQ-UHFFFAOYSA-N 0 2 418.074 3.830 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]nnc2c1)c1ccc(Br)cc1C(F)(F)F ZINC000474411175 995376864 /nfs/dbraw/zinc/37/68/64/995376864.db2.gz NRWKKGATQZLVGV-UHFFFAOYSA-N 0 2 421.198 3.540 20 0 HHADLN O=S(=O)(Nc1ccc2n[nH]nc2c1)c1ccc(Br)cc1C(F)(F)F ZINC000474411175 995376874 /nfs/dbraw/zinc/37/68/74/995376874.db2.gz NRWKKGATQZLVGV-UHFFFAOYSA-N 0 2 421.198 3.540 20 0 HHADLN CCCCn1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c(C)n1 ZINC000474557495 995522577 /nfs/dbraw/zinc/52/25/77/995522577.db2.gz KHKIUOTYGYJACG-UHFFFAOYSA-N 0 2 419.532 3.501 20 0 HHADLN COc1ccc2c(c1)CCC[C@@H]2CC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474586486 995545812 /nfs/dbraw/zinc/54/58/12/995545812.db2.gz PDCZORSFBZPKGU-QGZVFWFLSA-N 0 2 406.486 3.519 20 0 HHADLN C[C@H](Cc1ccccc1)n1cccc1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474590084 995549291 /nfs/dbraw/zinc/54/92/91/995549291.db2.gz QRBRGXBWLFXLDQ-GOSISDBHSA-N 0 2 415.497 3.919 20 0 HHADLN COC(=O)c1ccc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)c(F)c1 ZINC000482959934 995882350 /nfs/dbraw/zinc/88/23/50/995882350.db2.gz LQUGIWUEZCMVEU-UHFFFAOYSA-N 0 2 408.311 3.669 20 0 HHADLN CCCc1c(NC(=O)c2ccc3[nH]nnc3c2)cnn1-c1cc(F)c(OC)cc1F ZINC000482985982 995902432 /nfs/dbraw/zinc/90/24/32/995902432.db2.gz QFQASFPJIKSQBI-UHFFFAOYSA-N 0 2 412.400 3.635 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N3CCO[C@@H](c4ccc(F)cc4Cl)C3)c[nH]c2n1 ZINC000483519279 996229158 /nfs/dbraw/zinc/22/91/58/996229158.db2.gz LQUIIYDBABFJMZ-QGZVFWFLSA-N 0 2 401.825 3.650 20 0 HHADLN CCN(CC1CCN(c2ccccn2)CC1)C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000475647861 996275315 /nfs/dbraw/zinc/27/53/15/996275315.db2.gz TXBZBNVKCKMELK-UHFFFAOYSA-N 0 2 422.558 3.792 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(OC)cc2Br)c1C ZINC000475807547 996383759 /nfs/dbraw/zinc/38/37/59/996383759.db2.gz RJCLTRSCQOWNRL-SNVBAGLBSA-N 0 2 402.314 3.734 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Nc2c(F)cccc2F)cn1 ZINC000484079022 996558196 /nfs/dbraw/zinc/55/81/96/996558196.db2.gz OMCJWGKEWJVBOE-UHFFFAOYSA-N 0 2 419.409 3.691 20 0 HHADLN COc1cc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)cc(OC)c1C(C)C ZINC000484147175 996598873 /nfs/dbraw/zinc/59/88/73/996598873.db2.gz VSAZEQAOYBSOCW-UHFFFAOYSA-N 0 2 424.910 3.633 20 0 HHADLN COc1cc(NS(=O)(=O)c2cnn(-c3ccccn3)c2C)cc(OC)c1C(C)C ZINC000484264186 996666944 /nfs/dbraw/zinc/66/69/44/996666944.db2.gz NNFCQMOMCXVLII-UHFFFAOYSA-N 0 2 416.503 3.517 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3sc(-c4ccccn4)nc3C)s[nH]2)c1 ZINC000476322870 996755804 /nfs/dbraw/zinc/75/58/04/996755804.db2.gz KLGHYBUAOQDSLR-UHFFFAOYSA-N 0 2 409.496 3.715 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(N4CCCCCC4)nc3)s[nH]2)c1 ZINC000476328128 996759109 /nfs/dbraw/zinc/75/91/09/996759109.db2.gz XMWXBSZRYHTMSS-UHFFFAOYSA-N 0 2 409.515 3.663 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccccc3OCc3cscn3)s[nH]2)c1 ZINC000476355330 996780901 /nfs/dbraw/zinc/78/09/01/996780901.db2.gz UCRVQFJXHRZNCW-UHFFFAOYSA-N 0 2 424.507 3.923 20 0 HHADLN Cc1cc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)o1 ZINC000476413315 996875347 /nfs/dbraw/zinc/87/53/47/996875347.db2.gz UOPTWNIUBHUJOH-GFCCVEGCSA-N 0 2 405.501 3.645 20 0 HHADLN C[C@@H](c1cccs1)N(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476419526 996884376 /nfs/dbraw/zinc/88/43/76/996884376.db2.gz STKYKSPXXLCPPP-LBPRGKRZSA-N 0 2 407.542 3.839 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccs2)o1)c1cc(Br)ccc1F ZINC000476424920 996892310 /nfs/dbraw/zinc/89/23/10/996892310.db2.gz UAPKWMLPRCWYNC-UHFFFAOYSA-N 0 2 404.242 3.501 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2nnc(-c3cccs3)o2)c1Br ZINC000476428892 996897968 /nfs/dbraw/zinc/89/79/68/996897968.db2.gz ZKIOCSDHUHSKTO-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN CC(C)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 ZINC000476436448 996907555 /nfs/dbraw/zinc/90/75/55/996907555.db2.gz RHWYFQPUFZCQAS-HNNXBMFYSA-N 0 2 407.561 3.842 20 0 HHADLN Cc1ccccc1CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476440958 996912456 /nfs/dbraw/zinc/91/24/56/996912456.db2.gz WVZNMUHCTKZOEI-UHFFFAOYSA-N 0 2 401.513 3.525 20 0 HHADLN CC(C)[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476525555 997013805 /nfs/dbraw/zinc/01/38/05/997013805.db2.gz LYKSVAWRWUASMP-IAGOWNOFSA-N 0 2 407.561 3.889 20 0 HHADLN COC(=O)c1ccc(NC(=O)C(=O)N2CC=C(c3cccc(Cl)c3)CC2)cc1C ZINC000484709705 997049055 /nfs/dbraw/zinc/04/90/55/997049055.db2.gz AJSZCTSKBXUZDM-UHFFFAOYSA-N 0 2 412.873 3.689 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC[C@@]3(CO)Cc3ccccc3)=N2)cc1 ZINC000476628550 997149989 /nfs/dbraw/zinc/14/99/89/997149989.db2.gz JIWIPKYZKQTGSJ-VWLOTQADSA-N 0 2 419.525 3.911 20 0 HHADLN C[C@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476689284 997229317 /nfs/dbraw/zinc/22/93/17/997229317.db2.gz IYARGCJXGSFNTN-XJKSGUPXSA-N 0 2 407.561 3.889 20 0 HHADLN CCN(CCc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476724180 997272047 /nfs/dbraw/zinc/27/20/47/997272047.db2.gz YADWLMZXHGGQBX-UHFFFAOYSA-N 0 2 415.540 3.649 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCO[C@H](c4cccc(O)c4)C3)=N2)cc1 ZINC000484906511 997277574 /nfs/dbraw/zinc/27/75/74/997277574.db2.gz HZPUMOKJXPPKNI-NRFANRHFSA-N 0 2 407.470 3.621 20 0 HHADLN COc1cc(C)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476743538 997295712 /nfs/dbraw/zinc/29/57/12/997295712.db2.gz ISUXNSLNMBUEKJ-UHFFFAOYSA-N 0 2 403.485 3.513 20 0 HHADLN Cc1ccc(-c2nsc(NS(=O)(=O)c3cccc4cc(C)cnc43)n2)s1 ZINC000476874005 997451363 /nfs/dbraw/zinc/45/13/63/997451363.db2.gz QADYUALHTHTKJV-UHFFFAOYSA-N 0 2 402.526 3.654 20 0 HHADLN Cc1ccc(-c2nsc(NS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)n2)s1 ZINC000476875000 997452307 /nfs/dbraw/zinc/45/23/07/997452307.db2.gz SHYKPFYIRRAYDW-UHFFFAOYSA-N 0 2 423.438 3.956 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccc2)c1)c1cc(Br)c(F)cc1F ZINC000485122742 997506596 /nfs/dbraw/zinc/50/65/96/997506596.db2.gz HTDXFVFECAHYKH-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)ccc1Br ZINC000476908793 997515218 /nfs/dbraw/zinc/51/52/18/997515218.db2.gz MDWFNZMOLDMBBN-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2nc3c(s2)CCCCC3)c1 ZINC000476909960 997516507 /nfs/dbraw/zinc/51/65/07/997516507.db2.gz DJIZPNQYYYYZQP-UHFFFAOYSA-N 0 2 417.350 3.984 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2nc(C(C)C)cs2)cc1Br ZINC000476914073 997522795 /nfs/dbraw/zinc/52/27/95/997522795.db2.gz LZKODNZZXIWERD-UHFFFAOYSA-N 0 2 421.338 3.847 20 0 HHADLN O=S(=O)(Nc1nc2cc(F)c(F)cc2s1)c1cncc(Br)c1 ZINC000476922021 997534266 /nfs/dbraw/zinc/53/42/66/997534266.db2.gz KFZUOFDTSXDYMV-UHFFFAOYSA-N 0 2 406.233 3.533 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)s1 ZINC000485167732 997550133 /nfs/dbraw/zinc/55/01/33/997550133.db2.gz WLHMSSHULSRSCG-UHFFFAOYSA-N 0 2 412.492 3.912 20 0 HHADLN CNC(=O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1Cl ZINC000485196766 997573927 /nfs/dbraw/zinc/57/39/27/997573927.db2.gz ZCHDTDGSVXBBSW-UHFFFAOYSA-N 0 2 410.776 3.658 20 0 HHADLN C[C@@H]1CCC[C@H](N(C)C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000485360309 997784812 /nfs/dbraw/zinc/78/48/12/997784812.db2.gz QNIUIWLUJVGDJS-HIFRSBDPSA-N 0 2 408.549 3.986 20 0 HHADLN Cc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)s1 ZINC000485363624 997788632 /nfs/dbraw/zinc/78/86/32/997788632.db2.gz YWEIBYHEYDBZEG-UHFFFAOYSA-N 0 2 408.530 3.636 20 0 HHADLN CN(Cc1cccc(F)c1)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485364038 997789590 /nfs/dbraw/zinc/78/95/90/997789590.db2.gz RQJRBUUUKNPRAS-UHFFFAOYSA-N 0 2 420.491 3.747 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N1CCC[C@@H]1C1CCC1 ZINC000485376700 997803778 /nfs/dbraw/zinc/80/37/78/997803778.db2.gz LCIKIPVEAXGUNA-MRXNPFEDSA-N 0 2 406.533 3.740 20 0 HHADLN CC1CCC(CNC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC1 ZINC000485377334 997804744 /nfs/dbraw/zinc/80/47/44/997804744.db2.gz QUARCYOSPROTOQ-UHFFFAOYSA-N 0 2 408.549 3.892 20 0 HHADLN CCC1(C)CCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC1 ZINC000485384450 997812524 /nfs/dbraw/zinc/81/25/24/997812524.db2.gz WEMYNBIZEHRVHG-UHFFFAOYSA-N 0 2 408.549 3.988 20 0 HHADLN CCc1[nH]nc(NC(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)c1C ZINC000477154273 997812641 /nfs/dbraw/zinc/81/26/41/997812641.db2.gz ZZAPUWDEQQZQLT-UHFFFAOYSA-N 0 2 404.517 3.704 20 0 HHADLN COCCc1ccc(Oc2ccc(NS(=O)(=O)c3c(Cl)cnn3C)cc2)cc1 ZINC000485397015 997824985 /nfs/dbraw/zinc/82/49/85/997824985.db2.gz PWHSJKXMYZAALC-UHFFFAOYSA-N 0 2 421.906 3.856 20 0 HHADLN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000485396380 997825335 /nfs/dbraw/zinc/82/53/35/997825335.db2.gz VHVPYWBCWQNBSI-UHFFFAOYSA-N 0 2 419.759 3.537 20 0 HHADLN CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000485442183 997884344 /nfs/dbraw/zinc/88/43/44/997884344.db2.gz SFLRATSLYGCSRS-UHFFFAOYSA-N 0 2 404.385 3.703 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccc2cccnc21 ZINC000485498530 997953199 /nfs/dbraw/zinc/95/31/99/997953199.db2.gz SSXJLGPOWXUXTP-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN Cc1ccc(SCC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1 ZINC000485498943 997953796 /nfs/dbraw/zinc/95/37/96/997953796.db2.gz WKZOYFJQBIVCKN-UHFFFAOYSA-N 0 2 419.553 3.983 20 0 HHADLN Cc1cccc(C)c1OCC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485498892 997953850 /nfs/dbraw/zinc/95/38/50/997953850.db2.gz ZYWONMCILUKXFR-UHFFFAOYSA-N 0 2 417.512 3.578 20 0 HHADLN CCc1cc(Br)ccc1NS(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000477420822 998108876 /nfs/dbraw/zinc/10/88/76/998108876.db2.gz SRVDNYPXOVYWRL-UHFFFAOYSA-N 0 2 418.284 3.969 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)S(=O)(=O)c1ccccc1-c1ccccc1 ZINC000486056511 998505970 /nfs/dbraw/zinc/50/59/70/998505970.db2.gz WCDZEOMPNKXLQK-UHFFFAOYSA-N 0 2 411.508 3.885 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000486077809 998524728 /nfs/dbraw/zinc/52/47/28/998524728.db2.gz MYHMUUACKQFVBL-UHFFFAOYSA-N 0 2 407.463 3.635 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000486102564 998550118 /nfs/dbraw/zinc/55/01/18/998550118.db2.gz RFHXJGRAKLGUGD-UHFFFAOYSA-N 0 2 407.875 3.910 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1cc(Br)c(C)cc1C ZINC000486117859 998566148 /nfs/dbraw/zinc/56/61/48/998566148.db2.gz QRWKJGBMINPING-UHFFFAOYSA-N 0 2 400.294 3.884 20 0 HHADLN O=C(NCc1cc(Oc2ccc(F)cc2)ccn1)C1=NN(c2ccccc2)CC1=O ZINC000486217898 998654429 /nfs/dbraw/zinc/65/44/29/998654429.db2.gz BTAPAJSPNLAGIZ-UHFFFAOYSA-N 0 2 404.401 3.834 20 0 HHADLN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000486371606 998732785 /nfs/dbraw/zinc/73/27/85/998732785.db2.gz FMSLTQLEWWDZIU-UHFFFAOYSA-N 0 2 421.457 3.630 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccccc2OC(F)(F)F)n(-c2cc(C)ccn2)n1 ZINC000486554609 998823240 /nfs/dbraw/zinc/82/32/40/998823240.db2.gz DDTFDUGUWNSYAT-UHFFFAOYSA-N 0 2 412.393 3.584 20 0 HHADLN CN1CCc2ccc(S(=O)(=O)Nc3cc(-c4ccc(Cl)s4)nn3C)cc21 ZINC000486559009 998825256 /nfs/dbraw/zinc/82/52/56/998825256.db2.gz GXKCWUPXFRDWHM-UHFFFAOYSA-N 0 2 408.936 3.595 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)n(-c2cc(C)ccn2)n1 ZINC000486562015 998827042 /nfs/dbraw/zinc/82/70/42/998827042.db2.gz OZFMKVHTMWBKGI-CYBMUJFWSA-N 0 2 418.906 3.662 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000486563512 998828000 /nfs/dbraw/zinc/82/80/00/998828000.db2.gz IWIOXDFQQJLVAX-UHFFFAOYSA-N 0 2 400.909 3.761 20 0 HHADLN CC(C)(C)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000478462491 998972999 /nfs/dbraw/zinc/97/29/99/998972999.db2.gz SFXWEJPNQHVPFL-HNNXBMFYSA-N 0 2 407.561 3.842 20 0 HHADLN CN(Cc1cnn(-c2ccccc2)c1)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000478475876 998981843 /nfs/dbraw/zinc/98/18/43/998981843.db2.gz PVDKPEJJBWZTCF-UHFFFAOYSA-N 0 2 407.861 3.689 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCC2(CC1)OCCc1ccsc12 ZINC000486911672 999002614 /nfs/dbraw/zinc/00/26/14/999002614.db2.gz QQZMCAHXHIONRR-UHFFFAOYSA-N 0 2 412.540 3.784 20 0 HHADLN C[C@@H](NC(=O)C1=NN(c2ccccc2)CC1=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000486990482 999028951 /nfs/dbraw/zinc/02/89/51/999028951.db2.gz XFISMLJTNNGWIH-UZUQRXQVSA-N 0 2 421.497 3.633 20 0 HHADLN COc1ccc(-c2n[nH]c(NC(=O)c3cnc(-c4ccsc4)s3)n2)c(OC)c1 ZINC000487031475 999042540 /nfs/dbraw/zinc/04/25/40/999042540.db2.gz KLXOTRHWNBOIGY-UHFFFAOYSA-N 0 2 413.484 3.926 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cnc(C(C)C)nc3)cc2c1C ZINC000478671752 999080978 /nfs/dbraw/zinc/08/09/78/999080978.db2.gz FICFALJETIKKQM-UHFFFAOYSA-N 0 2 403.460 3.632 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cc1OC ZINC000478680246 999085237 /nfs/dbraw/zinc/08/52/37/999085237.db2.gz YQPGMHMFVDQYLV-UHFFFAOYSA-N 0 2 423.796 3.955 20 0 HHADLN COc1cc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(OC)c(C)c1OC ZINC000478684434 999087596 /nfs/dbraw/zinc/08/75/96/999087596.db2.gz AUNJAPIUVVYBTA-UHFFFAOYSA-N 0 2 423.384 3.980 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(N4CCC(C)CC4)nc3)s[nH]2)c1 ZINC000478707287 999098661 /nfs/dbraw/zinc/09/86/61/999098661.db2.gz VJWDHZHOGSBSGN-UHFFFAOYSA-N 0 2 409.515 3.519 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2NC(=O)N2CCCC2)c1 ZINC000487432422 999174967 /nfs/dbraw/zinc/17/49/67/999174967.db2.gz VVWHPRGPHPFGKP-UHFFFAOYSA-N 0 2 409.895 3.777 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3c(C)cccc3F)s2)c1 ZINC000479074086 999281284 /nfs/dbraw/zinc/28/12/84/999281284.db2.gz YTMKURKKDFTGAA-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1nccc(-c2ccco2)n1 ZINC000479158364 999301812 /nfs/dbraw/zinc/30/18/12/999301812.db2.gz HEZWCGNRIFDIKG-UHFFFAOYSA-N 0 2 415.452 3.539 20 0 HHADLN O=S(=O)(Nc1c(-c2ccccc2)nc2ccccn21)c1cnn(CC(F)(F)F)c1 ZINC000479162217 999303470 /nfs/dbraw/zinc/30/34/70/999303470.db2.gz REIRHHWPHINDFT-UHFFFAOYSA-N 0 2 421.404 3.561 20 0 HHADLN O=S(=O)([N-]c1c(-c2ccccc2)[nH+]c2ccccn21)c1cnn(CC(F)(F)F)c1 ZINC000479162217 999303478 /nfs/dbraw/zinc/30/34/78/999303478.db2.gz REIRHHWPHINDFT-UHFFFAOYSA-N 0 2 421.404 3.561 20 0 HHADLN O=C1Nc2ccc(S(=O)(=O)Nc3nnc(/C=C\c4ccco4)s3)c3cccc1c23 ZINC000479210298 999327376 /nfs/dbraw/zinc/32/73/76/999327376.db2.gz AWXPMWDWOHWFFO-TWGQIWQCSA-N 0 2 424.463 3.821 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2F)cc1Cl ZINC000479248461 999345435 /nfs/dbraw/zinc/34/54/35/999345435.db2.gz GNGXTJPREWUDIA-UHFFFAOYSA-N 0 2 422.869 3.732 20 0 HHADLN CC(C)c1nn(C)cc1NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000479271794 999358154 /nfs/dbraw/zinc/35/81/54/999358154.db2.gz CAERBVKUHKTOIG-UHFFFAOYSA-N 0 2 423.432 3.761 20 0 HHADLN CN(Cc1cscn1)Cc1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1 ZINC000479280295 999362717 /nfs/dbraw/zinc/36/27/17/999362717.db2.gz OFSXDXLGGFUJGZ-UHFFFAOYSA-N 0 2 409.483 3.854 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cccc(-c3nc(C)cs3)c2)c(OC)c1 ZINC000488303746 999431189 /nfs/dbraw/zinc/43/11/89/999431189.db2.gz XFLOWJBZTCFLAI-UHFFFAOYSA-N 0 2 420.512 3.945 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cccc(OCCC(C)C)c2)c(OC)c1 ZINC000488307039 999432949 /nfs/dbraw/zinc/43/29/49/999432949.db2.gz JTPIMNZFMJQQRI-UHFFFAOYSA-N 0 2 409.504 3.938 20 0 HHADLN CC(C)COc1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1Cl ZINC000479480928 999436137 /nfs/dbraw/zinc/43/61/37/999436137.db2.gz FKMAHFOHVCRXOQ-UHFFFAOYSA-N 0 2 411.833 3.934 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000479485475 999438726 /nfs/dbraw/zinc/43/87/26/999438726.db2.gz ABPHUQRKOZTGTQ-UHFFFAOYSA-N 0 2 419.528 3.715 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(C)n[nH]c2c1 ZINC000479489783 999440819 /nfs/dbraw/zinc/44/08/19/999440819.db2.gz KYSARBIIIUFYAH-UHFFFAOYSA-N 0 2 409.895 3.741 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000479489783 999440821 /nfs/dbraw/zinc/44/08/21/999440821.db2.gz KYSARBIIIUFYAH-UHFFFAOYSA-N 0 2 409.895 3.741 20 0 HHADLN CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000479491732 999442344 /nfs/dbraw/zinc/44/23/44/999442344.db2.gz XANJOLPHIRAHHW-UHFFFAOYSA-N 0 2 415.284 3.529 20 0 HHADLN CCOC(=O)c1cc2cc(NS(=O)(=O)c3c(OC)cccc3OC)ccc2s1 ZINC000479491696 999442530 /nfs/dbraw/zinc/44/25/30/999442530.db2.gz WRUBDSHYFOSRPC-UHFFFAOYSA-N 0 2 421.496 3.896 20 0 HHADLN O=C(c1ccccc1)c1ccccc1S(=O)(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000479502349 999447355 /nfs/dbraw/zinc/44/73/55/999447355.db2.gz YFZWERIDCUHVJY-SFHVURJKSA-N 0 2 423.490 3.886 20 0 HHADLN COCCCOc1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000479510933 999452172 /nfs/dbraw/zinc/45/21/72/999452172.db2.gz NRBUSPVLIQPSIH-UHFFFAOYSA-N 0 2 418.284 3.804 20 0 HHADLN CCOc1cc2c(cc1NS(=O)(=O)c1cc(C)c(F)cc1Cl)OCCO2 ZINC000488356166 999454580 /nfs/dbraw/zinc/45/45/80/999454580.db2.gz MTLJNCUOLFETGR-UHFFFAOYSA-N 0 2 401.843 3.758 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2c(OC)cccc2OC)cc1Br ZINC000488367393 999460016 /nfs/dbraw/zinc/46/00/16/999460016.db2.gz NKKKNCWNYNJICZ-UHFFFAOYSA-N 0 2 416.293 3.666 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1cncc(Cl)c1 ZINC000488371102 999462073 /nfs/dbraw/zinc/46/20/73/999462073.db2.gz ITXKHPLNGJCIHK-LLVKDONJSA-N 0 2 403.287 3.605 20 0 HHADLN CCOc1cc2c(cc1NS(=O)(=O)c1cc(Cl)ccc1Cl)OCCO2 ZINC000488381083 999466762 /nfs/dbraw/zinc/46/67/62/999466762.db2.gz AYTQUXVBPIUWIL-UHFFFAOYSA-N 0 2 404.271 3.964 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2nc(CC(C)(C)C)cs2)c(OC)c1 ZINC000488386761 999469673 /nfs/dbraw/zinc/46/96/73/999469673.db2.gz MQIZEQMVRBBMST-UHFFFAOYSA-N 0 2 400.522 3.558 20 0 HHADLN O=C1CCc2cc(NS(=O)(=O)c3ccc(F)c(F)c3F)ccc2N1CC1CC1 ZINC000479568072 999481620 /nfs/dbraw/zinc/48/16/20/999481620.db2.gz PJTQWFCBXZOBRN-UHFFFAOYSA-N 0 2 410.417 3.594 20 0 HHADLN CC(C)(C)[C@H]1CCc2nc(NS(=O)(=O)c3cnn(CC(F)F)c3)sc2C1 ZINC000488438114 999487249 /nfs/dbraw/zinc/48/72/49/999487249.db2.gz LZCOBUCJMKYZAG-JTQLQIEISA-N 0 2 404.508 3.557 20 0 HHADLN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC000479577702 999487333 /nfs/dbraw/zinc/48/73/33/999487333.db2.gz XEDMNRGTVAZQJU-UHFFFAOYSA-N 0 2 422.409 3.732 20 0 HHADLN CC(C)(C)n1nc(-c2ccccc2)cc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000488572254 999531734 /nfs/dbraw/zinc/53/17/34/999531734.db2.gz ZNCGNLDOIKMXJH-UHFFFAOYSA-N 0 2 409.462 3.568 20 0 HHADLN Cc1ccc(Cc2cnc(NS(=O)(=O)c3cnn(CC(F)F)c3)s2)cc1C ZINC000488575689 999533016 /nfs/dbraw/zinc/53/30/16/999533016.db2.gz UDNJFQFSZVAYOJ-UHFFFAOYSA-N 0 2 412.487 3.613 20 0 HHADLN O=S(=O)(Nc1nc(C2CC2)cs1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000488598451 999541429 /nfs/dbraw/zinc/54/14/29/999541429.db2.gz RMKARUHONUECLJ-NSHDSACASA-N 0 2 414.936 3.890 20 0 HHADLN O=C(NCc1n[nH]c(=O)[nH]1)c1sc(-c2ccccc2)cc1OCc1ccccc1 ZINC000479743453 999567593 /nfs/dbraw/zinc/56/75/93/999567593.db2.gz MHSZXBWEJZTULT-UHFFFAOYSA-N 0 2 406.467 3.748 20 0 HHADLN COC[C@H](C)n1ccc(NS(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)n1 ZINC000488984225 999664320 /nfs/dbraw/zinc/66/43/20/999664320.db2.gz SCUYPABOMOOVHB-INIZCTEOSA-N 0 2 401.488 3.992 20 0 HHADLN Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)c1 ZINC000479960552 999664479 /nfs/dbraw/zinc/66/44/79/999664479.db2.gz HUIPNLXJEMRXOG-UHFFFAOYSA-N 0 2 420.494 3.956 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cnn(-c2ccccc2)c1 ZINC000479991326 999677223 /nfs/dbraw/zinc/67/72/23/999677223.db2.gz NMMFJUCGTOFEQF-UHFFFAOYSA-N 0 2 417.903 3.845 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC/C=C/c2ccccc2)c(F)c1Cl ZINC000480012551 999686106 /nfs/dbraw/zinc/68/61/06/999686106.db2.gz AICGXBLVYXUIQL-VMPITWQZSA-N 0 2 400.834 3.568 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000480051954 999702640 /nfs/dbraw/zinc/70/26/40/999702640.db2.gz UJGZCINQHAOMCY-OAHLLOKOSA-N 0 2 420.844 3.592 20 0 HHADLN Cc1c2cc(F)ccc2oc1S(=O)(=O)Nc1noc(COc2ccc(C)cc2)n1 ZINC000480135777 999727132 /nfs/dbraw/zinc/72/71/32/999727132.db2.gz SGWCWKDRNSYDBG-UHFFFAOYSA-N 0 2 417.418 3.952 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NC[C@@H](CO)c1ccccc1Cl ZINC000480151929 999731602 /nfs/dbraw/zinc/73/16/02/999731602.db2.gz KICCLPQSHAFZBW-NSHDSACASA-N 0 2 423.325 3.831 20 0 HHADLN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000480186732 999739705 /nfs/dbraw/zinc/73/97/05/999739705.db2.gz ANAWWXVOMVUNJL-JTQLQIEISA-N 0 2 402.289 3.865 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3cc(Cl)c(Cl)cc3OC)cc12 ZINC000480190260 999740245 /nfs/dbraw/zinc/74/02/45/999740245.db2.gz ACRXNPXLDMYVQK-UHFFFAOYSA-N 0 2 402.259 3.901 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1cc(Br)c(F)cc1C ZINC000480194780 999741536 /nfs/dbraw/zinc/74/15/36/999741536.db2.gz MXAMHAFPDMSWDS-UHFFFAOYSA-N 0 2 422.297 3.854 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)c(F)c1 ZINC000480198575 999742695 /nfs/dbraw/zinc/74/26/95/999742695.db2.gz OCXVLPAYYJKCSC-UHFFFAOYSA-N 0 2 400.431 3.887 20 0 HHADLN CCc1c(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)cnn1-c1cccc(C)c1 ZINC000480232215 999751789 /nfs/dbraw/zinc/75/17/89/999751789.db2.gz ZBTYNUBRLWAWBL-UHFFFAOYSA-N 0 2 413.499 3.639 20 0 HHADLN CCc1nc(NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)no1 ZINC000480234061 999752411 /nfs/dbraw/zinc/75/24/11/999752411.db2.gz RNBDVDJMEIAOMB-UHFFFAOYSA-N 0 2 408.277 3.862 20 0 HHADLN Cc1nc(C2(NC(=O)N=c3nc(-c4cccc(Cl)c4)[nH]s3)CCCCC2)no1 ZINC000480239250 999753880 /nfs/dbraw/zinc/75/38/80/999753880.db2.gz XOHIIHRYVHRTTJ-UHFFFAOYSA-N 0 2 418.910 3.953 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2OC(F)F)c(F)c1 ZINC000480243759 999754950 /nfs/dbraw/zinc/75/49/50/999754950.db2.gz FFEPUMWUXVAVSN-UHFFFAOYSA-N 0 2 413.320 3.838 20 0 HHADLN CC[C@@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)c1ccc(OC)c(OC)c1 ZINC000480256810 999757650 /nfs/dbraw/zinc/75/76/50/999757650.db2.gz CBJHYEQLYHIUCK-CYBMUJFWSA-N 0 2 404.517 3.979 20 0 HHADLN C[C@@H](CN(C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)[C@@H](C)CO)c1ccccc1 ZINC000489473453 999774231 /nfs/dbraw/zinc/77/42/31/999774231.db2.gz HZMUTIQKZJGXOD-HOTGVXAUSA-N 0 2 413.905 3.858 20 0 HHADLN O=C(C[C@H]1CCOC1)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000490049438 999885023 /nfs/dbraw/zinc/88/50/23/999885023.db2.gz WIASTSRNRFOGTO-GFCCVEGCSA-N 0 2 412.870 3.645 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCC3)cnn1CCC(C)C ZINC000491587653 1000086430 /nfs/dbraw/zinc/08/64/30/1000086430.db2.gz AJVPRHZXMVKDBM-UHFFFAOYSA-N 0 2 418.563 3.592 20 0 HHADLN COc1ccc([C@H]2C[C@H](NC(=O)N=c3nc(-c4ccsc4)[nH]s3)C2)cc1F ZINC000504609265 1000290799 /nfs/dbraw/zinc/29/07/99/1000290799.db2.gz WHPSAUSNDTXQEY-JOCQHMNTSA-N 0 2 404.492 3.904 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000504608868 1000290843 /nfs/dbraw/zinc/29/08/43/1000290843.db2.gz UWOJZTFIUSEHNS-ZDUSSCGKSA-N 0 2 414.560 3.633 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)CCCC(F)(F)F)c(F)c1Cl ZINC000494354803 1000451015 /nfs/dbraw/zinc/45/10/15/1000451015.db2.gz XZDYCJWSPNWBRR-ZETCQYMHSA-N 0 2 422.803 3.976 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1nc2cccnc2s1 ZINC000504955459 1000470339 /nfs/dbraw/zinc/47/03/39/1000470339.db2.gz MKVLLGUOYNQAIR-INIZCTEOSA-N 0 2 421.526 3.544 20 0 HHADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2cccc3oc(C(F)(F)F)nc32)c1 ZINC000494494631 1000522886 /nfs/dbraw/zinc/52/28/86/1000522886.db2.gz LTZYPHFMYUNUBF-UHFFFAOYSA-N 0 2 418.324 3.573 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NCCc2ccc(OCc3ccccc3)cc2)cn1 ZINC000495046989 1000797911 /nfs/dbraw/zinc/79/79/11/1000797911.db2.gz OKFWOSCVCWFMRP-UHFFFAOYSA-N 0 2 415.497 3.845 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC(C)(C)O[C@](C)(C(F)(F)F)C2)=N1 ZINC000505710208 1000987327 /nfs/dbraw/zinc/98/73/27/1000987327.db2.gz CWSLDHMEUQTTFO-SFHVURJKSA-N 0 2 415.387 3.597 20 0 HHADLN CC(C)CCC(=O)NCC(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000505748260 1001005002 /nfs/dbraw/zinc/00/50/02/1001005002.db2.gz USFMDLXEFBYBIK-UHFFFAOYSA-N 0 2 424.526 3.910 20 0 HHADLN C[C@@H](NC(=O)C(C)(C)C)C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000505758078 1001008818 /nfs/dbraw/zinc/00/88/18/1001008818.db2.gz LPUHPNHWDOLIKR-CQSZACIVSA-N 0 2 424.526 3.909 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(C)c(Cl)cc2OC)c1 ZINC000506595206 1001466524 /nfs/dbraw/zinc/46/65/24/1001466524.db2.gz PDVGSJDXIOHHSR-UHFFFAOYSA-N 0 2 413.879 3.643 20 0 HHADLN COc1ccc(CN(CC2CC2)C(=O)C2=NN(c3ccccc3)CC2=O)c(OC)c1 ZINC000506611728 1001470719 /nfs/dbraw/zinc/47/07/19/1001470719.db2.gz XZBIZIVTZJVGTM-UHFFFAOYSA-N 0 2 407.470 3.648 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccccc2Sc2nccn2C)c1 ZINC000506626016 1001475402 /nfs/dbraw/zinc/47/54/02/1001475402.db2.gz WOWPVPKEEKLUAJ-UHFFFAOYSA-N 0 2 419.528 3.527 20 0 HHADLN CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1 ZINC000506705854 1001499575 /nfs/dbraw/zinc/49/95/75/1001499575.db2.gz GYFODBVWIDODAL-UHFFFAOYSA-N 0 2 422.812 3.528 20 0 HHADLN Cc1ccc(C(C)(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)cc1 ZINC000497796733 1001516378 /nfs/dbraw/zinc/51/63/78/1001516378.db2.gz HOVGGZXJXANDHA-UHFFFAOYSA-N 0 2 416.528 3.564 20 0 HHADLN C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccccc1F ZINC000497798091 1001517210 /nfs/dbraw/zinc/51/72/10/1001517210.db2.gz IAOJPQXMPHJKNV-LBPRGKRZSA-N 0 2 420.491 3.610 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)c1 ZINC000506814536 1001545202 /nfs/dbraw/zinc/54/52/02/1001545202.db2.gz JIYLNXPYMIXMFM-UHFFFAOYSA-N 0 2 404.513 3.690 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)c1 ZINC000506835579 1001557484 /nfs/dbraw/zinc/55/74/84/1001557484.db2.gz QRCJKQMLWSBORZ-UHFFFAOYSA-N 0 2 423.560 3.567 20 0 HHADLN COc1cc(NC(C)=O)ccc1NS(=O)(=O)c1cc(C)ccc1Br ZINC000498020413 1001608068 /nfs/dbraw/zinc/60/80/68/1001608068.db2.gz KXYXQWGFKYEKJA-UHFFFAOYSA-N 0 2 413.293 3.525 20 0 HHADLN COCCOc1ccccc1NS(=O)(=O)c1cc(C)ccc1Br ZINC000498030478 1001613514 /nfs/dbraw/zinc/61/35/14/1001613514.db2.gz HRWSDZQSIYULMK-UHFFFAOYSA-N 0 2 400.294 3.584 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(CCO)[C@H]3CCCc4ccccc43)s[nH]2)c1 ZINC000498209647 1001693960 /nfs/dbraw/zinc/69/39/60/1001693960.db2.gz IWPZPVRWYFAQNM-IBGZPJMESA-N 0 2 424.526 3.539 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C)Cc3ccccc3N3CCCC3)s[nH]2)c1 ZINC000498212099 1001696241 /nfs/dbraw/zinc/69/62/41/1001696241.db2.gz XOKGYKPIQOBLAD-UHFFFAOYSA-N 0 2 423.542 3.900 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1N1CCSCC1)c1cncc(Cl)c1 ZINC000507013813 1001764565 /nfs/dbraw/zinc/76/45/65/1001764565.db2.gz RMSDJEYUPXEIJK-UHFFFAOYSA-N 0 2 404.344 3.742 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2nc3c(ccc4c3CCCC4)s2)c1 ZINC000507301759 1001983776 /nfs/dbraw/zinc/98/37/76/1001983776.db2.gz HNDLMUVKACIXCX-UHFFFAOYSA-N 0 2 404.513 3.993 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C(C)C)cc1OC ZINC000507311137 1001990651 /nfs/dbraw/zinc/99/06/51/1001990651.db2.gz DYICTKQVJCWPKJ-UHFFFAOYSA-N 0 2 401.488 3.949 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1OC1CCOCC1)c1ccccc1OC(F)F ZINC000507583503 1002188949 /nfs/dbraw/zinc/18/89/49/1002188949.db2.gz PQQMVDUPQMUNHO-UHFFFAOYSA-N 0 2 417.405 3.786 20 0 HHADLN O=S(=O)(Nc1cccc2cc(Br)cnc21)c1c[nH]c2ncccc12 ZINC000507614339 1002220160 /nfs/dbraw/zinc/22/01/60/1002220160.db2.gz BZYCCHWQXTVAEX-UHFFFAOYSA-N 0 2 403.261 3.674 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cccc3cc(Br)cnc32)cn1 ZINC000507633384 1002235439 /nfs/dbraw/zinc/23/54/39/1002235439.db2.gz DJHWHDODGRXNIZ-UHFFFAOYSA-N 0 2 408.277 3.592 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2cc(F)c(Br)c(Cl)c2)c1 ZINC000507639858 1002241207 /nfs/dbraw/zinc/24/12/07/1002241207.db2.gz YYOSQDANOOWXLO-UHFFFAOYSA-N 0 2 410.648 3.757 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000507640070 1002241314 /nfs/dbraw/zinc/24/13/14/1002241314.db2.gz ZWDFKTFXRGUTOA-UHFFFAOYSA-N 0 2 416.427 3.977 20 0 HHADLN COc1ccc(C(=O)CCCC(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1 ZINC000498874769 1002261722 /nfs/dbraw/zinc/26/17/22/1002261722.db2.gz RBWZBVCKENUOBE-UHFFFAOYSA-N 0 2 400.385 3.750 20 0 HHADLN O=C(C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1)N(Cc1ccco1)Cc1ccccc1 ZINC000498905488 1002299116 /nfs/dbraw/zinc/29/91/16/1002299116.db2.gz PMDWQQAZKWKAIT-HXUWFJFHSA-N 0 2 419.529 3.684 20 0 HHADLN CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2c(C)cccc2SC)c1OC ZINC000507890112 1002423681 /nfs/dbraw/zinc/42/36/81/1002423681.db2.gz GDWQHRGAOYSKBY-UHFFFAOYSA-N 0 2 414.936 3.539 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(C)nc2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC000507906222 1002440356 /nfs/dbraw/zinc/44/03/56/1002440356.db2.gz QKLUKLRQERTHRD-UHFFFAOYSA-N 0 2 410.421 3.958 20 0 HHADLN Cc1cnn(C)c1S(=O)(=O)Nc1ccc(Cl)cc1-c1nc(C2CCCC2)no1 ZINC000507920103 1002454711 /nfs/dbraw/zinc/45/47/11/1002454711.db2.gz JVURDQOQKIEDDC-UHFFFAOYSA-N 0 2 421.910 3.890 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccccc2NC(C)(C)C)c1 ZINC000507934989 1002468985 /nfs/dbraw/zinc/46/89/85/1002468985.db2.gz MAUJYCGBPTYUEO-UHFFFAOYSA-N 0 2 406.504 3.883 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1OCC1CC1)c1cncc(Br)c1 ZINC000507981555 1002510330 /nfs/dbraw/zinc/51/03/30/1002510330.db2.gz CBDXHYBREFGNNA-UHFFFAOYSA-N 0 2 401.257 3.573 20 0 HHADLN COCC[C@H](Cc1cccc(Br)c1)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000508015133 1002538985 /nfs/dbraw/zinc/53/89/85/1002538985.db2.gz JATMGWJXTOABCM-CYBMUJFWSA-N 0 2 403.280 3.554 20 0 HHADLN O=S(=O)(Nc1cccc(OCc2cscn2)c1)c1cnn(-c2ccccc2)c1 ZINC000508019526 1002543688 /nfs/dbraw/zinc/54/36/88/1002543688.db2.gz UWIDBTWNSTZNRI-UHFFFAOYSA-N 0 2 412.496 3.709 20 0 HHADLN COCc1cnc(NS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)s1 ZINC000508075189 1002597050 /nfs/dbraw/zinc/59/70/50/1002597050.db2.gz WUFGARUQVMECLS-UHFFFAOYSA-N 0 2 402.925 3.923 20 0 HHADLN O=S(=O)(Nc1ncc(-c2cccnc2)s1)c1ccc(OC(F)F)c(F)c1 ZINC000508080951 1002601986 /nfs/dbraw/zinc/60/19/86/1002601986.db2.gz BGDIOPDHSLXQGO-UHFFFAOYSA-N 0 2 401.391 3.746 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2nc3c(cccc3Br)s2)c1C ZINC000508081274 1002602060 /nfs/dbraw/zinc/60/20/60/1002602060.db2.gz BWPXCONDCLNIQH-UHFFFAOYSA-N 0 2 415.338 3.693 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nnc(-c3cccc(OC(F)(F)F)c3)s2)cn1 ZINC000508083002 1002604831 /nfs/dbraw/zinc/60/48/31/1002604831.db2.gz JEGYHFKOJATTKJ-UHFFFAOYSA-N 0 2 416.406 3.608 20 0 HHADLN Cc1nc(C)c(S(=O)(=O)Nc2nc3c(cccc3Br)s2)s1 ZINC000508085098 1002607342 /nfs/dbraw/zinc/60/73/42/1002607342.db2.gz OHJRCLXEQJBBEF-UHFFFAOYSA-N 0 2 404.336 3.933 20 0 HHADLN COCc1cnc(NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)s1 ZINC000508092538 1002616610 /nfs/dbraw/zinc/61/66/10/1002616610.db2.gz AGZFBQRCSOYENI-UHFFFAOYSA-N 0 2 402.925 3.923 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)s1 ZINC000508111681 1002638646 /nfs/dbraw/zinc/63/86/46/1002638646.db2.gz KJVPXRQIWIYLPG-UHFFFAOYSA-N 0 2 423.379 3.970 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cc(C(C)(C)C)nn3C(C)(C)C)cnc2c1Cl ZINC000499274311 1002680707 /nfs/dbraw/zinc/68/07/07/1002680707.db2.gz QWCIPWOFYMQNCK-UHFFFAOYSA-N 0 2 424.958 3.741 20 0 HHADLN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2ccc(Cl)cc2O)c1 ZINC000499297809 1002707623 /nfs/dbraw/zinc/70/76/23/1002707623.db2.gz ADXBRZPCISCJJQ-UHFFFAOYSA-N 0 2 405.701 3.675 20 0 HHADLN COc1ccc(-c2nsc(NS(=O)(=O)c3csc4ccccc43)n2)cc1F ZINC000508183139 1002718911 /nfs/dbraw/zinc/71/89/11/1002718911.db2.gz WJEUPYUUIWSDEI-UHFFFAOYSA-N 0 2 421.500 3.790 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc2c[nH]nc2cc1C ZINC000508193421 1002727969 /nfs/dbraw/zinc/72/79/69/1002727969.db2.gz VEVOYWKDUGAKCR-UHFFFAOYSA-N 0 2 414.270 3.766 20 0 HHADLN CCOC(=O)c1cccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)ncn2)c1 ZINC000508222353 1002751496 /nfs/dbraw/zinc/75/14/96/1002751496.db2.gz JSWZVCXZBDRYNE-UHFFFAOYSA-N 0 2 417.874 3.775 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(F)c(Br)c1 ZINC000508234069 1002760578 /nfs/dbraw/zinc/76/05/78/1002760578.db2.gz YUNVJTBUINOHGZ-UHFFFAOYSA-N 0 2 416.203 3.578 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2cc(COC)ccc2OC)o1)c1ccccc1 ZINC000508240399 1002766080 /nfs/dbraw/zinc/76/60/80/1002766080.db2.gz NANWKOVZXZEPPE-MRXNPFEDSA-N 0 2 417.487 3.567 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2cc(OC)ccc2Cl)c1OC(C)C ZINC000499494329 1002882883 /nfs/dbraw/zinc/88/28/83/1002882883.db2.gz LDYTZLDGYDVYCD-UHFFFAOYSA-N 0 2 413.879 3.723 20 0 HHADLN O=C(NCc1cccc(NC(=O)C2CCCC2)c1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499732285 1003078488 /nfs/dbraw/zinc/07/84/88/1003078488.db2.gz ZWZUKYJXWHRXMR-UHFFFAOYSA-N 0 2 422.460 3.776 20 0 HHADLN CN(Cc1ccccc1OC(F)(F)F)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499747741 1003092194 /nfs/dbraw/zinc/09/21/94/1003092194.db2.gz FLIALWUZERJVGC-UHFFFAOYSA-N 0 2 409.339 3.888 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)=N2)cc1 ZINC000499747801 1003092223 /nfs/dbraw/zinc/09/22/23/1003092223.db2.gz ZMCYMBNFLAMMBM-SFHVURJKSA-N 0 2 423.469 3.581 20 0 HHADLN CN(CCCOc1cccc(Cl)c1)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499799289 1003135746 /nfs/dbraw/zinc/13/57/46/1003135746.db2.gz LGXZPKALUXVIKV-UHFFFAOYSA-N 0 2 403.841 3.912 20 0 HHADLN Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1 ZINC000499834642 1003170700 /nfs/dbraw/zinc/17/07/00/1003170700.db2.gz DKYJKFNHZSBTDR-CQSZACIVSA-N 0 2 405.433 3.702 20 0 HHADLN Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1 ZINC000499834641 1003170775 /nfs/dbraw/zinc/17/07/75/1003170775.db2.gz DKYJKFNHZSBTDR-AWEZNQCLSA-N 0 2 405.433 3.702 20 0 HHADLN CCO[C@H]1C[C@H](N(C)C(=O)C2=NN(c3ccc(OC)cc3)CC2=O)C12CCCCC2 ZINC000499846624 1003183483 /nfs/dbraw/zinc/18/34/83/1003183483.db2.gz KEIDUCKRBJWUKA-PMACEKPBSA-N 0 2 413.518 3.786 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(C)Cc3cccc(OC(F)(F)F)c3)=N2)cc1 ZINC000499871045 1003207766 /nfs/dbraw/zinc/20/77/66/1003207766.db2.gz BRGUTMAPWBWHTR-UHFFFAOYSA-N 0 2 421.375 3.757 20 0 HHADLN Cc1ccc(-c2nc(CCNC(=O)C3=NN(c4ccc(F)cc4)CC3=O)co2)cc1 ZINC000499880761 1003216768 /nfs/dbraw/zinc/21/67/68/1003216768.db2.gz WLOXSBDFLWQUSV-UHFFFAOYSA-N 0 2 406.417 3.653 20 0 HHADLN CC[C@@H](NC(=O)C1=NN(c2ccc(OC)cc2)CC1=O)c1nc(-c2ccccc2)c[nH]1 ZINC000499887702 1003223027 /nfs/dbraw/zinc/22/30/27/1003223027.db2.gz NAKURFHALRMKET-GOSISDBHSA-N 0 2 417.469 3.858 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCc2c(Br)cccc2C1 ZINC000499970948 1003288772 /nfs/dbraw/zinc/28/87/72/1003288772.db2.gz GNGRWQINGOYDAA-UHFFFAOYSA-N 0 2 416.250 3.678 20 0 HHADLN CCN(C(=O)C1=NN(c2ccc(OC)cc2)CC1=O)[C@@H](C)Cc1ccc(OC)cc1 ZINC000499982849 1003296884 /nfs/dbraw/zinc/29/68/84/1003296884.db2.gz XXZOLYOIYNGTOU-INIZCTEOSA-N 0 2 409.486 3.688 20 0 HHADLN C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000500013371 1003339635 /nfs/dbraw/zinc/33/96/35/1003339635.db2.gz XXJUSCVKLVYYRQ-ORAYPTAESA-N 0 2 415.852 3.973 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)[N-]c2c(-c3ccccc3)[nH+]c3ccccn32)c1 ZINC000500166306 1003519583 /nfs/dbraw/zinc/51/95/83/1003519583.db2.gz HFZYNRARBOSKKJ-UHFFFAOYSA-N 0 2 409.467 3.819 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)cc1C ZINC000509075804 1003535922 /nfs/dbraw/zinc/53/59/22/1003535922.db2.gz SLVAIBYMRRBRNE-UHFFFAOYSA-N 0 2 418.696 3.998 20 0 HHADLN CC(C)OC(=O)C[C@H]1CCCN(C(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)C1 ZINC000500254333 1003584033 /nfs/dbraw/zinc/58/40/33/1003584033.db2.gz PVRCKALBSYTVLC-QGZVFWFLSA-N 0 2 413.518 3.895 20 0 HHADLN O=S(=O)(Nc1ccc(-c2csnn2)cc1)c1cc(Br)ccc1F ZINC000500300109 1003607877 /nfs/dbraw/zinc/60/78/77/1003607877.db2.gz CANCUSJAJFEFQN-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000500308607 1003614318 /nfs/dbraw/zinc/61/43/18/1003614318.db2.gz WKQWCFKSOQACLW-UHFFFAOYSA-N 0 2 409.461 3.665 20 0 HHADLN CCSc1nnc(NS(=O)(=O)c2c(Cl)cccc2Br)s1 ZINC000509206071 1003623940 /nfs/dbraw/zinc/62/39/40/1003623940.db2.gz SHBJSQCFRNEADJ-UHFFFAOYSA-N 0 2 414.759 3.867 20 0 HHADLN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1nc(-c2cccs2)ns1 ZINC000509214618 1003628808 /nfs/dbraw/zinc/62/88/08/1003628808.db2.gz YZXIEJFRJBLORN-UHFFFAOYSA-N 0 2 405.448 3.817 20 0 HHADLN O=S(=O)(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1cccc2c1OCO2 ZINC000509253135 1003656636 /nfs/dbraw/zinc/65/66/36/1003656636.db2.gz FLMVWQRMJYEPPS-AWEZNQCLSA-N 0 2 415.496 3.536 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(Cl)cc2)o1)c1cnc2ccccc2c1 ZINC000509261253 1003662052 /nfs/dbraw/zinc/66/20/52/1003662052.db2.gz AHXGPOUSFHFPGH-UHFFFAOYSA-N 0 2 400.847 3.663 20 0 HHADLN Cc1cc(C)nc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)n1 ZINC000500472357 1003735490 /nfs/dbraw/zinc/73/54/90/1003735490.db2.gz SRKCXTKLZQHADC-UHFFFAOYSA-N 0 2 410.215 3.676 20 0 HHADLN Cc1ncc(NS(=O)(=O)c2ccc(Br)c(Cl)c2)c(C2CC2)n1 ZINC000500548204 1003775856 /nfs/dbraw/zinc/77/58/56/1003775856.db2.gz SUDDABTUYUINMF-UHFFFAOYSA-N 0 2 402.701 3.879 20 0 HHADLN COC(=O)Cc1cccc(NS(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000509393188 1003824414 /nfs/dbraw/zinc/82/44/14/1003824414.db2.gz XAKAXWSDIFEXNR-UHFFFAOYSA-N 0 2 418.696 3.619 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)c(F)cc1F ZINC000509396343 1003827025 /nfs/dbraw/zinc/82/70/25/1003827025.db2.gz KCBGPWJIISSVLL-UHFFFAOYSA-N 0 2 420.840 3.703 20 0 HHADLN CC(C)N(Cc1cc(Br)ccc1F)C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000511911566 1003886407 /nfs/dbraw/zinc/88/64/07/1003886407.db2.gz UMWNOKYBHJAKEC-UHFFFAOYSA-N 0 2 421.270 3.626 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c(NC(C)=O)c1 ZINC000509565835 1003948471 /nfs/dbraw/zinc/94/84/71/1003948471.db2.gz BJPNDELBVWOSFI-UHFFFAOYSA-N 0 2 417.270 3.539 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2NC(C)=O)c(Cl)c1 ZINC000509565853 1003948563 /nfs/dbraw/zinc/94/85/63/1003948563.db2.gz BYZVRFWQTTZTED-UHFFFAOYSA-N 0 2 417.270 3.539 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)c(Cl)c1 ZINC000509573074 1003953299 /nfs/dbraw/zinc/95/32/99/1003953299.db2.gz WKAGBPATQUCVKN-UHFFFAOYSA-N 0 2 422.812 3.902 20 0 HHADLN O=C(c1ccccc1)c1cccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)c1 ZINC000509612206 1003979086 /nfs/dbraw/zinc/97/90/86/1003979086.db2.gz XEQAHBAXRFLNQU-UHFFFAOYSA-N 0 2 417.490 3.963 20 0 HHADLN CC(C)c1cnc(NS(=O)(=O)c2cc(N(C)C)ccc2Br)s1 ZINC000500862983 1004010611 /nfs/dbraw/zinc/01/06/11/1004010611.db2.gz NAUIDDHCPSSTJH-UHFFFAOYSA-N 0 2 404.355 3.896 20 0 HHADLN COc1cccc(-c2nsc(NS(=O)(=O)c3cccc(Cl)c3Cl)n2)c1 ZINC000512342644 1004230537 /nfs/dbraw/zinc/23/05/37/1004230537.db2.gz LQNHTZOTILBBKP-UHFFFAOYSA-N 0 2 416.311 3.743 20 0 HHADLN COc1ccc(CNC(=O)N=c2nc(-c3ccccc3)[nH]s2)cc1Br ZINC000510022320 1004271594 /nfs/dbraw/zinc/27/15/94/1004271594.db2.gz BZVZBGWZAWPSDO-UHFFFAOYSA-N 0 2 419.304 3.720 20 0 HHADLN O=C(CNC(=O)N=c1nc(-c2ccccc2)[nH]s1)Nc1cccc2ccccc21 ZINC000510026547 1004274741 /nfs/dbraw/zinc/27/47/41/1004274741.db2.gz OZTUETVTXLMXGX-UHFFFAOYSA-N 0 2 403.467 3.540 20 0 HHADLN Cc1ccc(-c2nc(CCNC(=O)N=c3nc(-c4ccccc4)[nH]s3)co2)cc1 ZINC000510103613 1004326794 /nfs/dbraw/zinc/32/67/94/1004326794.db2.gz VUMVRVBFFGLKLX-UHFFFAOYSA-N 0 2 405.483 3.955 20 0 HHADLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000510125734 1004341963 /nfs/dbraw/zinc/34/19/63/1004341963.db2.gz SMGIKJHJQYAQBQ-UHFFFAOYSA-N 0 2 418.478 3.725 20 0 HHADLN O=S(=O)(Nc1nccs1)c1cccc(NCc2ccnn2-c2ccccc2)c1 ZINC000512657256 1004467745 /nfs/dbraw/zinc/46/77/45/1004467745.db2.gz ACOWZRFRZFSURH-UHFFFAOYSA-N 0 2 411.512 3.742 20 0 HHADLN CCn1nc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)c2ccccc21 ZINC000512658602 1004470677 /nfs/dbraw/zinc/47/06/77/1004470677.db2.gz WLPSUJHFVLFXDK-UHFFFAOYSA-N 0 2 413.528 3.926 20 0 HHADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1cc(C)c(Cl)cc1OC ZINC000512786116 1004559256 /nfs/dbraw/zinc/55/92/56/1004559256.db2.gz UQEDMZNUEZRJGP-UHFFFAOYSA-N 0 2 404.271 3.898 20 0 HHADLN COC(=O)[C@H](c1cccc(Br)c1)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000501814022 1004753596 /nfs/dbraw/zinc/75/35/96/1004753596.db2.gz GSVHFECOENTRTR-AWEZNQCLSA-N 0 2 422.304 3.506 20 0 HHADLN COc1ccc(-c2n[nH]c(NC(=O)c3nc(-c4ccccc4)cs3)n2)c(OC)c1 ZINC000513568284 1005027955 /nfs/dbraw/zinc/02/79/55/1005027955.db2.gz RRJVHXHJNDNGNT-UHFFFAOYSA-N 0 2 407.455 3.865 20 0 HHADLN Cc1ccc(C(=O)NCC(F)(F)F)cc1NS(=O)(=O)c1cccc(Cl)c1F ZINC000511132706 1005036910 /nfs/dbraw/zinc/03/69/10/1005036910.db2.gz YNGCRGHRVKRMGW-UHFFFAOYSA-N 0 2 424.803 3.880 20 0 HHADLN CCOc1ncccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000511190056 1005066791 /nfs/dbraw/zinc/06/67/91/1005066791.db2.gz YADPJDZVWWESLT-UHFFFAOYSA-N 0 2 415.446 3.673 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)CCCc3ccc(OC)cc3OC)s[nH]2)c1 ZINC000513778936 1005122557 /nfs/dbraw/zinc/12/25/57/1005122557.db2.gz VVBDOHSXMFGOLR-UHFFFAOYSA-N 0 2 413.499 3.614 20 0 HHADLN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1cncc(-c2nncn2C)c1 ZINC000513787872 1005127140 /nfs/dbraw/zinc/12/71/40/1005127140.db2.gz GPOMQPZDMUWYJF-UHFFFAOYSA-N 0 2 419.919 3.854 20 0 HHADLN O=C(Nc1c[nH]nc1-c1ccccn1)c1[nH]nc(-c2ccccc2)c1Br ZINC000502614367 1005141121 /nfs/dbraw/zinc/14/11/21/1005141121.db2.gz RRIYZZDERWIGSB-UHFFFAOYSA-N 0 2 409.247 3.877 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)cc(C(F)(F)F)c2)c(C)s1 ZINC000502744707 1005198401 /nfs/dbraw/zinc/19/84/01/1005198401.db2.gz UHKLPTCFZLYPJL-UHFFFAOYSA-N 0 2 418.422 3.675 20 0 HHADLN O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CC[NH2+][C@H](c2cccc(Cl)c2)C1 ZINC000513986893 1005214716 /nfs/dbraw/zinc/21/47/16/1005214716.db2.gz FZTROBQEMMHROY-KRWDZBQOSA-N 0 2 417.296 3.671 20 0 HHADLN CCOc1cc(F)ccc1NS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000502834919 1005238347 /nfs/dbraw/zinc/23/83/47/1005238347.db2.gz WUIPGQVSQVTGDH-UHFFFAOYSA-N 0 2 422.247 3.935 20 0 HHADLN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000502983466 1005302727 /nfs/dbraw/zinc/30/27/27/1005302727.db2.gz PGHBBTFCKZBLJI-UHFFFAOYSA-N 0 2 402.817 3.610 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1cc(Br)cc2nc[nH]c21 ZINC000503149662 1005357579 /nfs/dbraw/zinc/35/75/79/1005357579.db2.gz DWUWSPKFBKSQHA-UHFFFAOYSA-N 0 2 400.261 3.518 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1cc(Br)cc2[nH]cnc21 ZINC000503149662 1005357580 /nfs/dbraw/zinc/35/75/80/1005357580.db2.gz DWUWSPKFBKSQHA-UHFFFAOYSA-N 0 2 400.261 3.518 20 0 HHADLN COc1ccccc1-c1n[nH]c(NC(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)n1 ZINC000503149981 1005357588 /nfs/dbraw/zinc/35/75/88/1005357588.db2.gz FJNRQJRSFJBDSY-UHFFFAOYSA-N 0 2 417.473 3.745 20 0 HHADLN O=S(=O)(c1cc(F)cc(Cl)c1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000503209997 1005369209 /nfs/dbraw/zinc/36/92/09/1005369209.db2.gz WZPLKCBKOVDTHO-MRXNPFEDSA-N 0 2 406.870 3.790 20 0 HHADLN CC(C)C(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000503247244 1005376230 /nfs/dbraw/zinc/37/62/30/1005376230.db2.gz QCIXDGDXPVRMAA-IBGZPJMESA-N 0 2 424.526 3.836 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2CC(C)C)cc1 ZINC000503967181 1005521891 /nfs/dbraw/zinc/52/18/91/1005521891.db2.gz YGSUDTPBKLGNBG-UHFFFAOYSA-N 0 2 413.499 3.794 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1 ZINC000504059476 1005542815 /nfs/dbraw/zinc/54/28/15/1005542815.db2.gz YSBCCKGVYISTCY-UHFFFAOYSA-N 0 2 418.446 3.807 20 0 HHADLN CC(C)[C@H](NC(=O)CSc1n[nH]c(C(C)(C)C)n1)c1ccc2c(c1)OCCCO2 ZINC000514521296 1006018516 /nfs/dbraw/zinc/01/85/16/1006018516.db2.gz PCGINTQBOLAAGW-SFHVURJKSA-N 0 2 418.563 3.869 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)cc1OC ZINC000534057676 1006029479 /nfs/dbraw/zinc/02/94/79/1006029479.db2.gz TXFRPYJFCWNZJE-UHFFFAOYSA-N 0 2 403.451 3.603 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)NCc3cccc(C(=O)NC4CC4)c3)=N2)c1 ZINC000531225958 1006057671 /nfs/dbraw/zinc/05/76/71/1006057671.db2.gz CQOGPSYDJWXHTI-UHFFFAOYSA-N 0 2 418.497 3.524 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@@H](C[S@@](C)=O)c3ccccc3)=N2)c1 ZINC000531225255 1006057755 /nfs/dbraw/zinc/05/77/55/1006057755.db2.gz RQHBBLAGPOTDHQ-ADXZGYQBSA-N 0 2 411.527 3.551 20 0 HHADLN COc1cc([C@@H](C)NC(=O)N=c2nc(-c3ccccc3)[nH]s2)cc(OC)c1OC ZINC000531341747 1006134591 /nfs/dbraw/zinc/13/45/91/1006134591.db2.gz GYCNPJRXUGVKTH-GFCCVEGCSA-N 0 2 414.487 3.536 20 0 HHADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1cc(Cl)cc(C)c1O ZINC000534163911 1006147127 /nfs/dbraw/zinc/14/71/27/1006147127.db2.gz RWDKXJDHLGFICD-UHFFFAOYSA-N 0 2 410.879 3.512 20 0 HHADLN CCCOc1cc(F)ccc1NS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC ZINC000534165369 1006149239 /nfs/dbraw/zinc/14/92/39/1006149239.db2.gz PFICGKFWQPRKJY-UHFFFAOYSA-N 0 2 422.478 3.772 20 0 HHADLN CCSCc1ccnc(NS(=O)(=O)c2ccc(Br)c(OC)c2)c1 ZINC000534170374 1006153653 /nfs/dbraw/zinc/15/36/53/1006153653.db2.gz BSDMEOLQZRQLCV-UHFFFAOYSA-N 0 2 417.350 3.907 20 0 HHADLN Cc1cccc(CCC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000531491414 1006228801 /nfs/dbraw/zinc/22/88/01/1006228801.db2.gz YXCFHJZTUOGXBN-UHFFFAOYSA-N 0 2 401.513 3.824 20 0 HHADLN CCN(CC(F)(F)F)C(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000534280978 1006279694 /nfs/dbraw/zinc/27/96/94/1006279694.db2.gz PVZNXZAJUSZAIT-UHFFFAOYSA-N 0 2 406.451 3.882 20 0 HHADLN O=C(CCSc1ccc(Br)cc1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000534432615 1006407930 /nfs/dbraw/zinc/40/79/30/1006407930.db2.gz HIFFHHXPVDMPHH-UHFFFAOYSA-N 0 2 421.345 3.905 20 0 HHADLN CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1Cl ZINC000515650762 1006575360 /nfs/dbraw/zinc/57/53/60/1006575360.db2.gz OVRRLCYGPLXBBO-UHFFFAOYSA-N 0 2 420.840 3.944 20 0 HHADLN CCc1onc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000534614271 1006595308 /nfs/dbraw/zinc/59/53/08/1006595308.db2.gz PPNABYSNLKOQAS-UHFFFAOYSA-N 0 2 403.435 3.738 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)c1 ZINC000534669778 1006647376 /nfs/dbraw/zinc/64/73/76/1006647376.db2.gz QBUDRFQLGZJYLD-UHFFFAOYSA-N 0 2 411.405 3.939 20 0 HHADLN O=S(=O)(Cc1cc(Cl)ccc1F)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000534743551 1006735050 /nfs/dbraw/zinc/73/50/50/1006735050.db2.gz OEFNRKIUAIIQNH-QGZVFWFLSA-N 0 2 420.897 3.931 20 0 HHADLN CCOC(=O)c1sc2ncc(S(=O)(=O)Nc3cc(C)ccc3O)cc2c1C ZINC000532302504 1006782295 /nfs/dbraw/zinc/78/22/95/1006782295.db2.gz ZBDQFAHCGQLSOE-UHFFFAOYSA-N 0 2 406.485 3.596 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1scnc1C1CC1 ZINC000534802626 1006806823 /nfs/dbraw/zinc/80/68/23/1006806823.db2.gz MMRZNUVUBYGYEE-UHFFFAOYSA-N 0 2 408.256 3.960 20 0 HHADLN CC(C)(C)[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(F)(F)F ZINC000532410955 1006856741 /nfs/dbraw/zinc/85/67/41/1006856741.db2.gz CRQZZAQHJUUOBM-ZDUSSCGKSA-N 0 2 421.466 3.651 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)OC(C)(C)C)c(C)c1 ZINC000534902099 1006933707 /nfs/dbraw/zinc/93/37/07/1006933707.db2.gz ZVBIFFYAUYBVAD-UHFFFAOYSA-N 0 2 423.462 3.677 20 0 HHADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1ccccc1C(F)(F)F ZINC000534905690 1006937226 /nfs/dbraw/zinc/93/72/26/1006937226.db2.gz YMCALRWCSBEYKL-UHFFFAOYSA-N 0 2 414.405 3.863 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(C)c(C(F)(F)F)s3)cc2C[C@H]1C ZINC000516238265 1006966897 /nfs/dbraw/zinc/96/68/97/1006966897.db2.gz KJVFJHQFGCRLAX-MRVPVSSYSA-N 0 2 419.450 3.569 20 0 HHADLN CC[C@H](C)N(CC(=O)OC(C)(C)C)C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000534938091 1006977189 /nfs/dbraw/zinc/97/71/89/1006977189.db2.gz FDDOTOMOMZTDQU-AWEZNQCLSA-N 0 2 405.470 3.608 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3ccc(C(=O)C(C)C)cc3)s2)cc1 ZINC000534941621 1006982512 /nfs/dbraw/zinc/98/25/12/1006982512.db2.gz UKUCCPSGUKJYGD-UHFFFAOYSA-N 0 2 417.512 3.853 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1cc2sccc2s1 ZINC000538709162 1006985643 /nfs/dbraw/zinc/98/56/43/1006985643.db2.gz QNZHJNWCVSDSRJ-UHFFFAOYSA-N 0 2 422.538 3.867 20 0 HHADLN O=C(c1cccc(Br)c1O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000538744339 1007028572 /nfs/dbraw/zinc/02/85/72/1007028572.db2.gz FBHPWLNPYNTGAP-VMPITWQZSA-N 0 2 401.304 3.626 20 0 HHADLN O=C(Cc1ccc(O)cc1Cl)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000532636535 1007055913 /nfs/dbraw/zinc/05/59/13/1007055913.db2.gz HEVPOKJFODVYRK-UHFFFAOYSA-N 0 2 407.655 3.774 20 0 HHADLN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000538831170 1007104259 /nfs/dbraw/zinc/10/42/59/1007104259.db2.gz KZBYNZCPYFQBLP-HNNXBMFYSA-N 0 2 410.236 3.556 20 0 HHADLN CC(=O)c1ccc(S(=O)(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1 ZINC000532878945 1007263276 /nfs/dbraw/zinc/26/32/76/1007263276.db2.gz IKDAWWSELDFDMW-UHFFFAOYSA-N 0 2 423.516 3.973 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000535217402 1007269494 /nfs/dbraw/zinc/26/94/94/1007269494.db2.gz WZPPULNIEKMTEB-MRXNPFEDSA-N 0 2 404.499 3.673 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)nc1C(C)C ZINC000535232802 1007286099 /nfs/dbraw/zinc/28/60/99/1007286099.db2.gz FKUDEPCBRQEHDE-NSHDSACASA-N 0 2 410.517 3.567 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2ccc(Cl)cc2OCC(F)F)c1 ZINC000516806177 1007300785 /nfs/dbraw/zinc/30/07/85/1007300785.db2.gz PELVHOCCVSWWOJ-UHFFFAOYSA-N 0 2 407.822 3.802 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000535330478 1007383440 /nfs/dbraw/zinc/38/34/40/1007383440.db2.gz UWIWTWHQUAMKEI-UHFFFAOYSA-N 0 2 418.478 3.921 20 0 HHADLN CC(C)Oc1ccc(S(=O)(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1 ZINC000539103155 1007391917 /nfs/dbraw/zinc/39/19/17/1007391917.db2.gz HXMUSEVHUWIUFX-UHFFFAOYSA-N 0 2 409.577 3.963 20 0 HHADLN CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000517173827 1007480939 /nfs/dbraw/zinc/48/09/39/1007480939.db2.gz FUNLLIMIRCGYFJ-UHFFFAOYSA-N 0 2 402.394 3.513 20 0 HHADLN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000539202807 1007498423 /nfs/dbraw/zinc/49/84/23/1007498423.db2.gz ISBWBNPGBDXUEX-QFBILLFUSA-N 0 2 419.815 3.770 20 0 HHADLN C[C@H](c1ccc(F)c(F)c1)S(=O)(=O)c1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000517215641 1007510888 /nfs/dbraw/zinc/51/08/88/1007510888.db2.gz SBWCVPFEGCVFGE-SNVBAGLBSA-N 0 2 413.833 3.850 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)c(Cl)c1 ZINC000533195427 1007530073 /nfs/dbraw/zinc/53/00/73/1007530073.db2.gz UGAIWHOAUAZAMM-UHFFFAOYSA-N 0 2 411.867 3.989 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccccn1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000535656455 1007671221 /nfs/dbraw/zinc/67/12/21/1007671221.db2.gz ZKBZPPXYJJTLOH-UHFFFAOYSA-N 0 2 402.479 3.698 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3nc4c(s3)CCCCCC4)cnc2c1Cl ZINC000539470119 1007782965 /nfs/dbraw/zinc/78/29/65/1007782965.db2.gz IEJKAFOAUFTFMG-UHFFFAOYSA-N 0 2 411.940 3.607 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3F)cc2)c(C)o1 ZINC000539547821 1007859849 /nfs/dbraw/zinc/85/98/49/1007859849.db2.gz IDSJCQHECLEOKR-UHFFFAOYSA-N 0 2 402.447 3.766 20 0 HHADLN CCc1noc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000533627215 1007930747 /nfs/dbraw/zinc/93/07/47/1007930747.db2.gz QTMSFHMWZLPTAX-UHFFFAOYSA-N 0 2 403.435 3.738 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccnn2-c2cccc(Cl)c2)c2cccnc12 ZINC000517754308 1007946650 /nfs/dbraw/zinc/94/66/50/1007946650.db2.gz SNSRURHCYHNBCW-UHFFFAOYSA-N 0 2 414.874 3.883 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cc(F)cc(Cl)c2)c(OC(F)F)c1 ZINC000533689053 1008013526 /nfs/dbraw/zinc/01/35/26/1008013526.db2.gz FRFRVSQSPWFYIZ-UHFFFAOYSA-N 0 2 409.769 3.668 20 0 HHADLN CC[C@@H](Cc1ccccc1Br)C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000533730299 1008057061 /nfs/dbraw/zinc/05/70/61/1008057061.db2.gz PQEZDIJRYKNGGN-LBPRGKRZSA-N 0 2 417.332 3.992 20 0 HHADLN COc1ccccc1N1CC[C@H]([N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)C1=O ZINC000539766096 1008081589 /nfs/dbraw/zinc/08/15/89/1008081589.db2.gz IYUNXYKIECZONO-QUCCMNQESA-N 0 2 423.561 3.846 20 0 HHADLN O=S(=O)(Nc1ccc(-n2cccn2)cc1)c1cc(F)c(Br)cc1F ZINC000533785746 1008108513 /nfs/dbraw/zinc/10/85/13/1008108513.db2.gz ZAMLGOJEYFIQJU-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN COCc1cc(Cl)cc(S(=O)(=O)Nc2ccnn2Cc2cccc(C)c2)c1 ZINC000518021621 1008108814 /nfs/dbraw/zinc/10/88/14/1008108814.db2.gz VVXHZCLNTDZJCL-UHFFFAOYSA-N 0 2 405.907 3.840 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2cc(F)c(Br)cc2F)c1C ZINC000533787004 1008109942 /nfs/dbraw/zinc/10/99/42/1008109942.db2.gz PUZJUJGYKQGJQX-UHFFFAOYSA-N 0 2 408.268 3.833 20 0 HHADLN CC(C)S(=O)(=O)Cc1ccc(NC(=O)c2cccc(Br)c2O)cc1 ZINC000518050874 1008128976 /nfs/dbraw/zinc/12/89/76/1008128976.db2.gz LYAJAYHRRPOEHU-UHFFFAOYSA-N 0 2 412.305 3.730 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)c(C)c1 ZINC000539853031 1008141961 /nfs/dbraw/zinc/14/19/61/1008141961.db2.gz ATPHQQNGRODNKH-UHFFFAOYSA-N 0 2 410.561 3.571 20 0 HHADLN Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2cc(Cl)cc(Cl)c2O)no1 ZINC000539932883 1008191277 /nfs/dbraw/zinc/19/12/77/1008191277.db2.gz YAGMVPQHLZSGRV-QMMMGPOBSA-N 0 2 404.275 3.694 20 0 HHADLN Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc4nc(-c5cccs5)[nH]c4c3)cc12 ZINC000533938408 1008219757 /nfs/dbraw/zinc/21/97/57/1008219757.db2.gz RMPAIMMDBPFUMJ-UHFFFAOYSA-N 0 2 424.511 3.682 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1ccccc1OCc1cscn1 ZINC000518280883 1008237392 /nfs/dbraw/zinc/23/73/92/1008237392.db2.gz RLOLIQXTRGGYFF-UHFFFAOYSA-N 0 2 400.510 3.976 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc(Br)cc2cccnc21 ZINC000534001941 1008259903 /nfs/dbraw/zinc/25/99/03/1008259903.db2.gz YHTFFWRHMIQDLX-UHFFFAOYSA-N 0 2 412.272 3.585 20 0 HHADLN CC(=O)Nc1ccc(F)c(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)c1 ZINC000518445942 1008310179 /nfs/dbraw/zinc/31/01/79/1008310179.db2.gz VYMLGZABLIXQNH-UHFFFAOYSA-N 0 2 418.226 3.584 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1OCC(F)F)c1cc2c(cc1Cl)OCCO2 ZINC000540213654 1008338758 /nfs/dbraw/zinc/33/87/58/1008338758.db2.gz LYVXITHPIIYGAH-UHFFFAOYSA-N 0 2 423.796 3.695 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(C)c(F)cc2F)cc(OC)c1Br ZINC000540497195 1008455905 /nfs/dbraw/zinc/45/59/05/1008455905.db2.gz LHSDUFOXCZKPPR-UHFFFAOYSA-N 0 2 422.247 3.854 20 0 HHADLN CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)CCOCC(F)(F)F ZINC000518883773 1008458453 /nfs/dbraw/zinc/45/84/53/1008458453.db2.gz OFHHTGZWACGUHK-UHFFFAOYSA-N 0 2 409.348 3.815 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc2c(cc(C)cc2C)s1 ZINC000519035638 1008507535 /nfs/dbraw/zinc/50/75/35/1008507535.db2.gz NPUMLXSNZLHZCT-UHFFFAOYSA-N 0 2 405.501 3.681 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000542985811 1008563912 /nfs/dbraw/zinc/56/39/12/1008563912.db2.gz KWAYZFLXATYFLH-UHFFFAOYSA-N 0 2 405.444 3.791 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c(C)c1F ZINC000543032464 1008615097 /nfs/dbraw/zinc/61/50/97/1008615097.db2.gz OTRAGNRVNIMJLJ-UHFFFAOYSA-N 0 2 401.463 3.618 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc4[nH]c(C(F)F)nc4c3)s[nH]2)c1 ZINC000519297423 1008709485 /nfs/dbraw/zinc/70/94/85/1008709485.db2.gz RBBWKPDLBFXHKU-UHFFFAOYSA-N 0 2 401.398 3.702 20 0 HHADLN O=S(=O)(Nc1ccc(CN2CCOCC2)c(Cl)c1)c1ccc(Cl)cc1F ZINC000543149347 1008722809 /nfs/dbraw/zinc/72/28/09/1008722809.db2.gz PRPDFWRVCVUVGX-UHFFFAOYSA-N 0 2 419.305 3.766 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000543163992 1008738064 /nfs/dbraw/zinc/73/80/64/1008738064.db2.gz UTKMTFHVJZBFML-UHFFFAOYSA-N 0 2 419.833 3.993 20 0 HHADLN COc1cccc([C@@H](C)N2CCN(C(=O)c3cccc(Br)c3O)CC2)c1 ZINC000519332974 1008739506 /nfs/dbraw/zinc/73/95/06/1008739506.db2.gz QUYQDBGKUWCYMS-CQSZACIVSA-N 0 2 419.319 3.682 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)N2CCCC2)cc1C ZINC000543165420 1008741495 /nfs/dbraw/zinc/74/14/95/1008741495.db2.gz BGBMSJLINNUSGV-UHFFFAOYSA-N 0 2 418.563 3.501 20 0 HHADLN Cc1nc(-c2ncccn2)sc1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000519386646 1008780742 /nfs/dbraw/zinc/78/07/42/1008780742.db2.gz LIRIAZIDRMJAQX-UHFFFAOYSA-N 0 2 414.903 3.755 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cc(CC(C)(C)C)nn2C)c(Br)c1 ZINC000519438502 1008816440 /nfs/dbraw/zinc/81/64/40/1008816440.db2.gz NKZBQXABMSVZLO-UHFFFAOYSA-N 0 2 400.342 3.880 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccc(F)cc2)c1C(F)(F)F)c1cncc(Cl)c1 ZINC000519491396 1008863241 /nfs/dbraw/zinc/86/32/41/1008863241.db2.gz RNAYEDGKTKBSAF-UHFFFAOYSA-N 0 2 420.775 3.879 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000519624525 1008934154 /nfs/dbraw/zinc/93/41/54/1008934154.db2.gz YVCZWJKTIQDZBL-AWEZNQCLSA-N 0 2 408.455 3.572 20 0 HHADLN Cn1nc(-c2ccccc2)nc1Cc1noc(-c2cccc(Br)c2O)n1 ZINC000545849246 1008935309 /nfs/dbraw/zinc/93/53/09/1008935309.db2.gz HJKZVLCVEMSSQI-UHFFFAOYSA-N 0 2 412.247 3.591 20 0 HHADLN CCOc1ccc2nc(NS(=O)(=O)c3cnc4onc(CC)c4c3)sc2c1 ZINC000545857515 1008943746 /nfs/dbraw/zinc/94/37/46/1008943746.db2.gz WYDDPPWNPOTNRL-UHFFFAOYSA-N 0 2 404.473 3.594 20 0 HHADLN O=C(N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)c1cccc2ncnn21 ZINC000543391445 1008981300 /nfs/dbraw/zinc/98/13/00/1008981300.db2.gz PEIWAJHMSJTPKV-UHFFFAOYSA-N 0 2 414.450 3.714 20 0 HHADLN Cc1nn(-c2ccccc2)c(C)c1NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000545936640 1009008329 /nfs/dbraw/zinc/00/83/29/1009008329.db2.gz CNHLWWQYUMOTHM-UHFFFAOYSA-N 0 2 408.487 3.863 20 0 HHADLN O=S(=O)(Nc1nnc([C@@H]2Cc3ccccc3O2)o1)c1ccc(Cl)c(Cl)c1 ZINC000519863154 1009039920 /nfs/dbraw/zinc/03/99/20/1009039920.db2.gz PYLRYJFTZPMHRL-AWEZNQCLSA-N 0 2 412.254 3.853 20 0 HHADLN C[C@@H](C(F)(F)F)S(=O)(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000546073886 1009095672 /nfs/dbraw/zinc/09/56/72/1009095672.db2.gz AWISLIRBYNPDAC-JTQLQIEISA-N 0 2 419.296 3.828 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000549497746 1009100215 /nfs/dbraw/zinc/10/02/15/1009100215.db2.gz YTHPTRBJRXKKMN-OAHLLOKOSA-N 0 2 423.439 3.648 20 0 HHADLN COc1ccc(OC2CCN(C(=O)N=c3nc(-c4ccccc4)[nH]s3)CC2)cc1 ZINC000549532261 1009144665 /nfs/dbraw/zinc/14/46/65/1009144665.db2.gz MKMKPTGZXZZQGK-UHFFFAOYSA-N 0 2 410.499 3.711 20 0 HHADLN Cc1nn(C)c(NS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)c1C ZINC000549562726 1009181446 /nfs/dbraw/zinc/18/14/46/1009181446.db2.gz XPISGRPEQSSMHG-UHFFFAOYSA-N 0 2 413.124 3.907 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)[C@@H]1CCOC1 ZINC000520035847 1009192847 /nfs/dbraw/zinc/19/28/47/1009192847.db2.gz IYANZVWJRIZQBF-LLVKDONJSA-N 0 2 415.298 3.769 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)CCC(=O)c3ccc(Cl)cc3)s[nH]2)c1 ZINC000546192929 1009221023 /nfs/dbraw/zinc/22/10/23/1009221023.db2.gz RRKLPRQPCRYKST-UHFFFAOYSA-N 0 2 401.875 3.891 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](C)c3ccc(-n4cccn4)cc3)s[nH]2)c1 ZINC000543616717 1009221722 /nfs/dbraw/zinc/22/17/22/1009221722.db2.gz NJRCBJZPRYNWES-CQSZACIVSA-N 0 2 420.498 3.704 20 0 HHADLN CC[C@@H]1C[C@@H](C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)CC(=O)N1 ZINC000543646537 1009251607 /nfs/dbraw/zinc/25/16/07/1009251607.db2.gz OZGBIPYWCLAIPU-HZPDHXFCSA-N 0 2 422.510 3.663 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1ccc(-n2cccn2)cc1 ZINC000543657301 1009264140 /nfs/dbraw/zinc/26/41/40/1009264140.db2.gz SLEPBJHUKGIHCH-UHFFFAOYSA-N 0 2 410.890 3.788 20 0 HHADLN COc1ccc(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1OC ZINC000543657351 1009264738 /nfs/dbraw/zinc/26/47/38/1009264738.db2.gz OBSZFNBAQDYENQ-UHFFFAOYSA-N 0 2 404.879 3.619 20 0 HHADLN Cc1cccc(Cc2noc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)c1 ZINC000546317546 1009334861 /nfs/dbraw/zinc/33/48/61/1009334861.db2.gz NRPCINJEWQLNSW-UHFFFAOYSA-N 0 2 412.496 3.893 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000549732309 1009355762 /nfs/dbraw/zinc/35/57/62/1009355762.db2.gz CATXBMFVECDBDA-UHFFFAOYSA-N 0 2 409.446 3.930 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)s[nH]1 ZINC000543829527 1009391425 /nfs/dbraw/zinc/39/14/25/1009391425.db2.gz CENZWQAVUWRZME-ZDUSSCGKSA-N 0 2 414.453 3.882 20 0 HHADLN Cc1cccc(CS(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 ZINC000546564157 1009586353 /nfs/dbraw/zinc/58/63/53/1009586353.db2.gz BNFHZFARAOBWRN-UHFFFAOYSA-N 0 2 402.497 3.832 20 0 HHADLN COC(=O)COc1ccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cc1 ZINC000546617483 1009631269 /nfs/dbraw/zinc/63/12/69/1009631269.db2.gz ZUUHOZREMCJQFL-UHFFFAOYSA-N 0 2 421.240 3.583 20 0 HHADLN COCc1cccc2sc(NS(=O)(=O)c3c(C)nn(CC(C)C)c3C)nc21 ZINC000544079765 1009686285 /nfs/dbraw/zinc/68/62/85/1009686285.db2.gz SXTXYFWVHCRUJE-UHFFFAOYSA-N 0 2 408.549 3.713 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000544096051 1009705773 /nfs/dbraw/zinc/70/57/73/1009705773.db2.gz FWUGFYJQKGPYEF-LJQANCHMSA-N 0 2 407.536 3.515 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2nc(/C=C/c3ccccc3)cs2)cn1C ZINC000546887344 1009847262 /nfs/dbraw/zinc/84/72/62/1009847262.db2.gz YRUGEBKNDAKAFJ-MDZDMXLPSA-N 0 2 417.512 3.630 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)c1C ZINC000520925229 1009978810 /nfs/dbraw/zinc/97/88/10/1009978810.db2.gz UVEYBTOKBIBZEW-UHFFFAOYSA-N 0 2 402.497 3.630 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cnn2c1nccc2-c1ccccc1 ZINC000521038612 1010068485 /nfs/dbraw/zinc/06/84/85/1010068485.db2.gz ZORKRYUHPFKLSY-UHFFFAOYSA-N 0 2 404.480 3.651 20 0 HHADLN COC(=O)c1cc(C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)c[nH]1 ZINC000550767191 1010164214 /nfs/dbraw/zinc/16/42/14/1010164214.db2.gz MPNHPJMBJGQJJP-UHFFFAOYSA-N 0 2 420.450 3.786 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000547241580 1010185963 /nfs/dbraw/zinc/18/59/63/1010185963.db2.gz QMEJCHQGXABFPR-UHFFFAOYSA-N 0 2 420.821 3.709 20 0 HHADLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3ccccc3OCCOC)sc2C1 ZINC000547268934 1010215193 /nfs/dbraw/zinc/21/51/93/1010215193.db2.gz UJRKRUVJKDJYOA-CQSZACIVSA-N 0 2 410.561 3.874 20 0 HHADLN CCC(CC)[C@@H]1C[C@@H](NC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)CCO1 ZINC000544591847 1010218023 /nfs/dbraw/zinc/21/80/23/1010218023.db2.gz GBHSHNSVNPZHHI-RDJZCZTQSA-N 0 2 404.536 3.741 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CC=C(c4cccc(OC)c4)CC3)s[nH]2)c1 ZINC000544592279 1010218338 /nfs/dbraw/zinc/21/83/38/1010218338.db2.gz XZNHXXLTNNQFEC-UHFFFAOYSA-N 0 2 422.510 3.965 20 0 HHADLN CCC(CC)[C@H]1C[C@@H](NC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)CCO1 ZINC000544591845 1010218432 /nfs/dbraw/zinc/21/84/32/1010218432.db2.gz GBHSHNSVNPZHHI-DOTOQJQBSA-N 0 2 404.536 3.741 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C)[C@@H]3CCCc4nc(C)sc43)s[nH]2)c1 ZINC000544594378 1010219708 /nfs/dbraw/zinc/21/97/08/1010219708.db2.gz RFLIWAFXPBPASO-OAHLLOKOSA-N 0 2 415.544 3.942 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C)[C@@H]3CCCN(c4ccccc4)C3)s[nH]2)c1 ZINC000544594143 1010219897 /nfs/dbraw/zinc/21/98/97/1010219897.db2.gz MVDWYOABQKPDJM-GOSISDBHSA-N 0 2 423.542 3.768 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H]3CCCOc4cc(F)ccc43)s[nH]2)c1 ZINC000544594989 1010220950 /nfs/dbraw/zinc/22/09/50/1010220950.db2.gz STGLUTPKACWPCK-INIZCTEOSA-N 0 2 414.462 3.810 20 0 HHADLN CC(C)c1csc(NS(=O)(=O)c2cc(Br)cc3c2OCC3)n1 ZINC000544622857 1010246822 /nfs/dbraw/zinc/24/68/22/1010246822.db2.gz WXOCSZXCYVBWCJ-UHFFFAOYSA-N 0 2 403.323 3.765 20 0 HHADLN C[C@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccc([S@](C)=O)cc1 ZINC000544634953 1010258323 /nfs/dbraw/zinc/25/83/23/1010258323.db2.gz CWXWPLYCZDJXIX-RNUGCUGFSA-N 0 2 420.947 3.901 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2)c(C)c1 ZINC000547336799 1010258857 /nfs/dbraw/zinc/25/88/57/1010258857.db2.gz IUNBPZXKIXIEAA-UHFFFAOYSA-N 0 2 416.524 3.905 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000544635392 1010259338 /nfs/dbraw/zinc/25/93/38/1010259338.db2.gz JEZLNKUTVPXXOQ-JKSUJKDBSA-N 0 2 400.891 3.932 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000544636370 1010260375 /nfs/dbraw/zinc/26/03/75/1010260375.db2.gz LXYVTNXHQDYHIC-GFCCVEGCSA-N 0 2 420.844 3.856 20 0 HHADLN COc1cc(NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)ccc1NC(C)=O ZINC000544637263 1010261649 /nfs/dbraw/zinc/26/16/49/1010261649.db2.gz BTSYOBDRZNHMKF-UHFFFAOYSA-N 0 2 417.878 3.891 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)=N1 ZINC000544651373 1010274917 /nfs/dbraw/zinc/27/49/17/1010274917.db2.gz GGKYWEZMDOKFOW-GHTZIAJQSA-N 0 2 409.461 3.930 20 0 HHADLN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2cnc(-c3ccccc3)s2)c1 ZINC000547434462 1010303746 /nfs/dbraw/zinc/30/37/46/1010303746.db2.gz VXNOKTFUUDHAEG-UHFFFAOYSA-N 0 2 406.460 3.845 20 0 HHADLN C[C@H](C(F)(F)F)S(=O)(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000544720991 1010328877 /nfs/dbraw/zinc/32/88/77/1010328877.db2.gz GWTYUQOUEIPZMX-DTWKUNHWSA-N 0 2 406.289 3.800 20 0 HHADLN COc1cc([C@@H](C)NS(=O)(=O)[C@H](C)C(F)(F)F)ccc1OCc1ccncc1 ZINC000544748967 1010352063 /nfs/dbraw/zinc/35/20/63/1010352063.db2.gz CMYXPAFOWRPJAC-CHWSQXEVSA-N 0 2 418.437 3.600 20 0 HHADLN N#Cc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c(F)c1 ZINC000547628189 1010369065 /nfs/dbraw/zinc/36/90/65/1010369065.db2.gz GDSZTHRQJXLCDG-UHFFFAOYSA-N 0 2 408.867 3.594 20 0 HHADLN COc1ccc(-c2ccncc2)cc1C[NH2+][C@H](CN1CCN(C)CC1)c1ccccc1 ZINC000547822513 1010439433 /nfs/dbraw/zinc/43/94/33/1010439433.db2.gz VHBXCLVCGKZFKD-RUZDIDTESA-N 0 2 416.569 3.836 20 0 HHADLN CCc1cccnc1-c1noc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)n1 ZINC000544937559 1010504497 /nfs/dbraw/zinc/50/44/97/1010504497.db2.gz NIUZZJKKXYMPAQ-UHFFFAOYSA-N 0 2 413.484 3.618 20 0 HHADLN COc1ccc(NC(=O)c2cccc(Br)c2O)cc1N1CCCC1=O ZINC000521645853 1010521058 /nfs/dbraw/zinc/52/10/58/1010521058.db2.gz HHQVHVCSWRQZSY-UHFFFAOYSA-N 0 2 405.248 3.542 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cc(O)ccc1Cl ZINC000551390961 1010556742 /nfs/dbraw/zinc/55/67/42/1010556742.db2.gz JEFFBVFLOTZATH-UHFFFAOYSA-N 0 2 409.876 3.555 20 0 HHADLN Cc1cc(C)nc(-c2noc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)c1 ZINC000545020361 1010561536 /nfs/dbraw/zinc/56/15/36/1010561536.db2.gz RZTQHPQZRMPFKL-UHFFFAOYSA-N 0 2 413.484 3.673 20 0 HHADLN O=S(=O)(Nc1ccccc1N1CCc2ccccc21)c1cnn(CC(F)F)c1 ZINC000551466704 1010602811 /nfs/dbraw/zinc/60/28/11/1010602811.db2.gz BAACIZDMVGTYJX-UHFFFAOYSA-N 0 2 404.442 3.643 20 0 HHADLN O=C1CCc2cc(NS(=O)(=O)c3cc(Cl)ccc3F)ccc2N1CC1CC1 ZINC000551471877 1010607608 /nfs/dbraw/zinc/60/76/08/1010607608.db2.gz WQQUECGNPNIOOA-UHFFFAOYSA-N 0 2 408.882 3.969 20 0 HHADLN O=C(Cc1ccc(Br)cc1O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000548401970 1010614732 /nfs/dbraw/zinc/61/47/32/1010614732.db2.gz PFRYMQGNMCXQDT-UHFFFAOYSA-N 0 2 407.655 3.774 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC000548477935 1010639670 /nfs/dbraw/zinc/63/96/70/1010639670.db2.gz XFQLFZNRCMTWFG-UHFFFAOYSA-N 0 2 416.547 3.571 20 0 HHADLN Cc1ccnc2c1cccc2S(=O)(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000548609821 1010681790 /nfs/dbraw/zinc/68/17/90/1010681790.db2.gz QSMIOWNPZIIIJW-UHFFFAOYSA-N 0 2 413.890 3.637 20 0 HHADLN O=S(=O)(Nc1ccccc1S(=O)(=O)Nc1ccccc1)c1cccc(Cl)c1 ZINC000545216252 1010688076 /nfs/dbraw/zinc/68/80/76/1010688076.db2.gz USZNRHHFFDJYAW-UHFFFAOYSA-N 0 2 422.915 3.942 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(NC(=O)CC(F)(F)F)cc1 ZINC000548861345 1010747042 /nfs/dbraw/zinc/74/70/42/1010747042.db2.gz PVAUFZIAPOYQPK-UHFFFAOYSA-N 0 2 418.441 3.773 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)CCCC2)c1cc(F)c(Br)cc1F ZINC000545380739 1010763799 /nfs/dbraw/zinc/76/37/99/1010763799.db2.gz HNZACSXVXYVUOS-UHFFFAOYSA-N 0 2 409.277 3.863 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000522359735 1010955660 /nfs/dbraw/zinc/95/56/60/1010955660.db2.gz KWEDEVWOIFFXNR-UHFFFAOYSA-N 0 2 424.420 3.556 20 0 HHADLN CN(Cc1cc(Br)ccc1F)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000522622026 1011119481 /nfs/dbraw/zinc/11/94/81/1011119481.db2.gz UDSZTFDJGQWSHK-UHFFFAOYSA-N 0 2 401.305 3.823 20 0 HHADLN CC[N@H+]1Cc2c(C(=O)[O-])c3ccccc3nc2/C(=C\c2ccc(-n3cncn3)cc2)C1 ZINC000522990549 1011442627 /nfs/dbraw/zinc/44/26/27/1011442627.db2.gz YEZBNAAZCAUZOQ-BOPFTXTBSA-N 0 2 411.465 3.890 20 0 HHADLN CC[N@@H+]1Cc2c(C(=O)[O-])c3ccccc3nc2/C(=C\c2ccc(-n3cncn3)cc2)C1 ZINC000522990549 1011442637 /nfs/dbraw/zinc/44/26/37/1011442637.db2.gz YEZBNAAZCAUZOQ-BOPFTXTBSA-N 0 2 411.465 3.890 20 0 HHADLN Cc1cccc([C@H]2CCCCCN2C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)c1 ZINC000523068955 1011538643 /nfs/dbraw/zinc/53/86/43/1011538643.db2.gz GZQCIZVLAMXADB-MRXNPFEDSA-N 0 2 400.548 3.648 20 0 HHADLN O=S(=O)(Nc1noc(-c2ccccc2)n1)c1cc(Br)ccc1Cl ZINC000540912348 1011581818 /nfs/dbraw/zinc/58/18/18/1011581818.db2.gz UCCZDZNVQNPHMR-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000536412355 1011625256 /nfs/dbraw/zinc/62/52/56/1011625256.db2.gz JZMMTIABGYPZNG-UHFFFAOYSA-N 0 2 415.437 3.773 20 0 HHADLN CCc1nc2cc(S(=O)(=O)Nc3nnc(Cc4ccccc4F)s3)ccc2o1 ZINC000541073898 1011713283 /nfs/dbraw/zinc/71/32/83/1011713283.db2.gz GFGABGNMCBPJAC-UHFFFAOYSA-N 0 2 418.475 3.772 20 0 HHADLN CCn1c(C)nnc1SCc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[nH]1 ZINC000523225666 1011714844 /nfs/dbraw/zinc/71/48/44/1011714844.db2.gz DHRSAWXRUHAHEF-UHFFFAOYSA-N 0 2 413.528 3.872 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc(-c2nc(C)cs2)c1 ZINC000523286606 1011766264 /nfs/dbraw/zinc/76/62/64/1011766264.db2.gz CPFRDTBGPGKHSU-UHFFFAOYSA-N 0 2 406.485 3.916 20 0 HHADLN O=S(=O)(Nc1nnc(SCc2ccccc2)s1)c1ccc2c(c1)CCCO2 ZINC000536767975 1011969497 /nfs/dbraw/zinc/96/94/97/1011969497.db2.gz PRUUAJYKAOQMBR-UHFFFAOYSA-N 0 2 419.553 3.956 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cnc(OCC4CC4)c(Cl)c3)s[nH]2)c1 ZINC000541284446 1011979008 /nfs/dbraw/zinc/97/90/08/1011979008.db2.gz DEFSZWBGELZLRN-UHFFFAOYSA-N 0 2 416.890 3.725 20 0 HHADLN Cc1cc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)n(-c2ccccc2F)n1 ZINC000541288691 1011986247 /nfs/dbraw/zinc/98/62/47/1011986247.db2.gz RQCJNRIGOPUZEE-UHFFFAOYSA-N 0 2 405.499 3.590 20 0 HHADLN O=S(=O)(Nc1nnc(C2CC2)s1)c1cc(Cl)c(Br)cc1F ZINC000552022653 1012050671 /nfs/dbraw/zinc/05/06/71/1012050671.db2.gz PORIHBXDKRMBFH-UHFFFAOYSA-N 0 2 412.693 3.771 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC000552029958 1012054620 /nfs/dbraw/zinc/05/46/20/1012054620.db2.gz RVGGNVOSHCODAW-UHFFFAOYSA-N 0 2 419.485 3.544 20 0 HHADLN O=S(=O)(Nc1ccc(-c2nc[nH]n2)cc1)c1c(Cl)cccc1C(F)(F)F ZINC000523535540 1012066695 /nfs/dbraw/zinc/06/66/95/1012066695.db2.gz XIZSQEIHTQDTTB-UHFFFAOYSA-N 0 2 402.785 3.945 20 0 HHADLN Cc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cc1NC(=O)c1ccccc1 ZINC000552251972 1012262379 /nfs/dbraw/zinc/26/23/79/1012262379.db2.gz VXIZXOYHRZZXAJ-UHFFFAOYSA-N 0 2 413.437 3.990 20 0 HHADLN CCc1c(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cnn1-c1ccccc1Cl ZINC000552259997 1012270420 /nfs/dbraw/zinc/27/04/20/1012270420.db2.gz GBYRTWYCTQYCGS-UHFFFAOYSA-N 0 2 408.849 3.831 20 0 HHADLN O=C(CCc1nnc(-c2cc3ccccc3o2)o1)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552287840 1012299472 /nfs/dbraw/zinc/29/94/72/1012299472.db2.gz RVQWWSDSQWELPB-UHFFFAOYSA-N 0 2 416.397 3.545 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000523729831 1012346840 /nfs/dbraw/zinc/34/68/40/1012346840.db2.gz OQLOLQLJWZBMDW-HNNXBMFYSA-N 0 2 418.563 3.896 20 0 HHADLN COC(=O)CCSc1ncccc1NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000541587398 1012378610 /nfs/dbraw/zinc/37/86/10/1012378610.db2.gz HSDCGLGSHDCCMV-UHFFFAOYSA-N 0 2 418.899 3.639 20 0 HHADLN CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552604254 1012606027 /nfs/dbraw/zinc/60/60/27/1012606027.db2.gz YRPUEOMKGIOUIS-UHFFFAOYSA-N 0 2 402.458 3.913 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c1 ZINC000537196441 1012613675 /nfs/dbraw/zinc/61/36/75/1012613675.db2.gz PZQXZZXSEWFJPD-UHFFFAOYSA-N 0 2 423.384 3.619 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](c3ccccc3)c3ccccn3)s[nH]2)c1 ZINC000541758020 1012618275 /nfs/dbraw/zinc/61/82/75/1012618275.db2.gz WCFIWHJRTRZQHB-IBGZPJMESA-N 0 2 417.494 3.942 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCc3coc(-c4ccccc4)n3)s[nH]2)c1 ZINC000541759773 1012621732 /nfs/dbraw/zinc/62/17/32/1012621732.db2.gz YLRYVLWODAAANJ-UHFFFAOYSA-N 0 2 407.455 3.612 20 0 HHADLN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C1=NN(c2ccccc2)CC1=O ZINC000552667896 1012666538 /nfs/dbraw/zinc/66/65/38/1012666538.db2.gz NMBLGMYWTXUJFZ-VQIMIIECSA-N 0 2 401.825 3.630 20 0 HHADLN COc1ccc(OC)c(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c1 ZINC000541796294 1012671797 /nfs/dbraw/zinc/67/17/97/1012671797.db2.gz GNFWCRMRYMBQQW-UHFFFAOYSA-N 0 2 404.879 3.619 20 0 HHADLN COc1c(C)cnc(CN(C)C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c1C ZINC000541799495 1012676850 /nfs/dbraw/zinc/67/68/50/1012676850.db2.gz NJPNNAFBHXRNHR-UHFFFAOYSA-N 0 2 417.922 3.965 20 0 HHADLN CC(=O)N(Cc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1)C(C)C ZINC000523958674 1012701583 /nfs/dbraw/zinc/70/15/83/1012701583.db2.gz DNTGWHZUETVWKY-UHFFFAOYSA-N 0 2 400.422 3.662 20 0 HHADLN COC(=O)C1(c2ccc(S(=O)(=O)Nc3ncccc3-c3ccccc3)cc2)CC1 ZINC000537352941 1012820081 /nfs/dbraw/zinc/82/00/81/1012820081.db2.gz VKYAZIAJGLNPOK-UHFFFAOYSA-N 0 2 408.479 3.754 20 0 HHADLN O=S(=O)(Nc1ccccc1Nc1ccc(F)cc1)c1cnn([C@@H]2CCOC2)c1 ZINC000537394930 1012877074 /nfs/dbraw/zinc/87/70/74/1012877074.db2.gz RCKYATUMUSONMO-MRXNPFEDSA-N 0 2 402.451 3.528 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)c(C)s1 ZINC000524101901 1012877882 /nfs/dbraw/zinc/87/78/82/1012877882.db2.gz QUCXLAQSSZAAIP-UHFFFAOYSA-N 0 2 405.476 3.952 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1n[nH]c(C2CC2)n1)c1ccc(C(F)(F)F)nc1 ZINC000542009111 1012892953 /nfs/dbraw/zinc/89/29/53/1012892953.db2.gz ZWHZZBGJGLQEMV-UHFFFAOYSA-N 0 2 409.393 3.564 20 0 HHADLN CCc1nc2cc(S(=O)(=O)Nc3c4c(nn3-c3ccccc3)CCC4)ccc2o1 ZINC000542011960 1012896498 /nfs/dbraw/zinc/89/64/98/1012896498.db2.gz IMNMWLVWNVLPAN-UHFFFAOYSA-N 0 2 408.483 3.865 20 0 HHADLN C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)[C@@H]2CCCC[C@@H]21 ZINC000542027346 1012923667 /nfs/dbraw/zinc/92/36/67/1012923667.db2.gz YCTYETVPDTUASK-KBRIMQKVSA-N 0 2 420.560 3.986 20 0 HHADLN O=S(=O)(Nc1ccccc1OC(F)F)c1cc(Br)cc2c1OCC2 ZINC000568918859 1071974812 /nfs/dbraw/zinc/97/48/12/1071974812.db2.gz NRPZLLPMDGQNIR-UHFFFAOYSA-N 0 2 420.231 3.786 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cccc(Oc3ccccn3)c2)c(OC)c1 ZINC000488249831 1072167309 /nfs/dbraw/zinc/16/73/09/1072167309.db2.gz OITSYUZKCGEDGR-UHFFFAOYSA-N 0 2 416.455 3.701 20 0 HHADLN Cc1c(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)[nH]nc1C1CC1 ZINC000760322779 1072247637 /nfs/dbraw/zinc/24/76/37/1072247637.db2.gz MWOMRPCGJXFOTG-UHFFFAOYSA-N 0 2 421.416 3.813 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)s1)c1ccccc1 ZINC000760319893 1072243881 /nfs/dbraw/zinc/24/38/81/1072243881.db2.gz IWTYTDDXKWITLO-HNNXBMFYSA-N 0 2 415.496 3.551 20 0 HHADLN Cc1c(=O)c2cccc(C(=O)NN3C(=O)c4ccccc4C3=O)c2oc1-c1ccccc1 ZINC000912685991 1072263650 /nfs/dbraw/zinc/26/36/50/1072263650.db2.gz HXTQMWZBTWSBTP-UHFFFAOYSA-N 0 2 424.412 3.709 20 0 HHADLN Cc1ccc(Sc2ncccc2C(=O)NN2C(=O)c3ccccc3C2=O)c(C)c1 ZINC000912686763 1072263666 /nfs/dbraw/zinc/26/36/66/1072263666.db2.gz YAHUGZXXFPVDKH-UHFFFAOYSA-N 0 2 403.463 3.791 20 0 HHADLN COC(=O)c1cc(Cl)cc(NS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c1O ZINC000586750739 1072415373 /nfs/dbraw/zinc/41/53/73/1072415373.db2.gz OTMPNPJXIUMADJ-UHFFFAOYSA-N 0 2 422.846 3.596 20 0 HHADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)n1 ZINC000479125459 1072733345 /nfs/dbraw/zinc/73/33/45/1072733345.db2.gz VMFAMFGHANGMSM-UHFFFAOYSA-N 0 2 419.475 3.903 20 0 HHADLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2cc(C)c(Br)s2)n1 ZINC000479134461 1072743853 /nfs/dbraw/zinc/74/38/53/1072743853.db2.gz SYIIUUCIMSLGAK-UHFFFAOYSA-N 0 2 402.339 3.850 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)c(OC)c1 ZINC000479137448 1072748413 /nfs/dbraw/zinc/74/84/13/1072748413.db2.gz FPJLADOYAJCWJP-UHFFFAOYSA-N 0 2 414.892 3.776 20 0 HHADLN CCC[C@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)OC)s3)c2C1 ZINC000479146687 1072769141 /nfs/dbraw/zinc/76/91/41/1072769141.db2.gz GLZJGHFGOFVXRL-ZDUSSCGKSA-N 0 2 408.545 3.840 20 0 HHADLN CCC[C@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)OC)s3)c2C1 ZINC000479146687 1072769150 /nfs/dbraw/zinc/76/91/50/1072769150.db2.gz GLZJGHFGOFVXRL-ZDUSSCGKSA-N 0 2 408.545 3.840 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CC34CCCC4)ccc2F)cc1 ZINC000760587831 1073167727 /nfs/dbraw/zinc/16/77/27/1073167727.db2.gz KZMDRMLUIDFKLL-LJQANCHMSA-N 0 2 418.490 3.698 20 0 HHADLN COCCOc1ccc(NS(=O)(=O)c2cccnc2C(F)(F)F)cc1Cl ZINC000572276209 1073244835 /nfs/dbraw/zinc/24/48/35/1073244835.db2.gz DFLKKQDXHJPMDT-UHFFFAOYSA-N 0 2 410.801 3.580 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2ccc(Cl)cc2OC)sc1C(C)C ZINC000588948638 1073356023 /nfs/dbraw/zinc/35/60/23/1073356023.db2.gz ZFRDEPOKHQUFMV-UHFFFAOYSA-N 0 2 404.897 3.516 20 0 HHADLN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2Oc2ccccc2)cc1 ZINC000589939208 1073423687 /nfs/dbraw/zinc/42/36/87/1073423687.db2.gz ZTJVXXIRUTYKFJ-UHFFFAOYSA-N 0 2 421.471 3.822 20 0 HHADLN CCc1ccc([C@H](C)C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)cc1 ZINC000589947478 1073431641 /nfs/dbraw/zinc/43/16/41/1073431641.db2.gz ZKBWDPGVMNQPRH-ZDUSSCGKSA-N 0 2 416.528 3.644 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000555536086 1073601020 /nfs/dbraw/zinc/60/10/20/1073601020.db2.gz VYIASGSHPOIVPU-IBGZPJMESA-N 0 2 409.465 3.618 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000555536086 1073601024 /nfs/dbraw/zinc/60/10/24/1073601024.db2.gz VYIASGSHPOIVPU-IBGZPJMESA-N 0 2 409.465 3.618 20 0 HHADLN CCC(=O)c1ccc(O)c(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)c1 ZINC000555646513 1073702292 /nfs/dbraw/zinc/70/22/92/1073702292.db2.gz DIHBTZCZIVFYON-UHFFFAOYSA-N 0 2 415.243 3.841 20 0 HHADLN O=C(NCc1cccc(Br)c1)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC001142642967 1073722378 /nfs/dbraw/zinc/72/23/78/1073722378.db2.gz XZLHYHPVXFYHEL-UHFFFAOYSA-N 0 2 406.667 3.924 20 0 HHADLN NC(=O)c1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1Cl ZINC000600309866 1073731468 /nfs/dbraw/zinc/73/14/68/1073731468.db2.gz XRTBKJJGAWOAGY-UHFFFAOYSA-N 0 2 419.666 3.844 20 0 HHADLN O=C(CCCc1nc(-c2ccc(F)cc2)no1)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000590404458 1073789392 /nfs/dbraw/zinc/78/93/92/1073789392.db2.gz ADSCLOBKTXRKKV-UHFFFAOYSA-N 0 2 410.384 3.761 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)cc(F)c1F ZINC000758164428 1074205548 /nfs/dbraw/zinc/20/55/48/1074205548.db2.gz WUIDCOGMQAZENY-UHFFFAOYSA-N 0 2 412.197 3.565 20 0 HHADLN CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2nc(C)c(C(F)(F)F)s2)c1 ZINC000573190193 1074249695 /nfs/dbraw/zinc/24/96/95/1074249695.db2.gz HVLHYGBUYNZWQI-UHFFFAOYSA-N 0 2 408.423 3.756 20 0 HHADLN CC[C@@H](CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1)C(C)C ZINC000591663265 1074461899 /nfs/dbraw/zinc/46/18/99/1074461899.db2.gz ZHHUTXAGNIMUPU-INIZCTEOSA-N 0 2 404.536 3.905 20 0 HHADLN CCn1ncc2ccc(NS(=O)(=O)c3cc(Cl)c(NC(C)=O)cc3F)cc21 ZINC000591682009 1074485198 /nfs/dbraw/zinc/48/51/98/1074485198.db2.gz WRUPKKKZEAYYSX-UHFFFAOYSA-N 0 2 410.858 3.608 20 0 HHADLN COC(=O)c1ccc(-c2csc(NS(=O)(=O)Cc3ccc(F)cc3)n2)cc1 ZINC000591885392 1074616937 /nfs/dbraw/zinc/61/69/37/1074616937.db2.gz SFNYQLKAHHWJMG-UHFFFAOYSA-N 0 2 406.460 3.678 20 0 HHADLN CCOc1ccc(CN2CCN(C(=O)c3cccc(Br)c3O)CC2)cc1 ZINC000592451422 1074760109 /nfs/dbraw/zinc/76/01/09/1074760109.db2.gz RWLFVSNZUMBKFJ-UHFFFAOYSA-N 0 2 419.319 3.511 20 0 HHADLN Cc1noc2ncc(S(=O)(=O)Nc3ccccc3NC(=O)C[C@@H]3C=CCC3)cc12 ZINC000592986672 1075154854 /nfs/dbraw/zinc/15/48/54/1075154854.db2.gz LBYYETOYIXXNAQ-CQSZACIVSA-N 0 2 412.471 3.627 20 0 HHADLN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000596900453 1075594526 /nfs/dbraw/zinc/59/45/26/1075594526.db2.gz OCOBQIMHOAJPTC-AWEZNQCLSA-N 0 2 420.947 3.735 20 0 HHADLN O=C([O-])[C@@H](NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000780571334 939134542 /nfs/dbraw/zinc/13/45/42/939134542.db2.gz NLGYTIDPBXBEKD-HKUYNNGSSA-N 0 2 419.884 3.569 20 0 HHADLN O=C([O-])[C@@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000780571334 939134546 /nfs/dbraw/zinc/13/45/46/939134546.db2.gz NLGYTIDPBXBEKD-HKUYNNGSSA-N 0 2 419.884 3.569 20 0 HHADLN O=c1[nH]c(Sc2nc(-c3cc(F)cc(F)c3)n[nH]2)nc2c1cnn2-c1ccccc1 ZINC000301427310 970922725 /nfs/dbraw/zinc/92/27/25/970922725.db2.gz FAGMWHQGMWQRJU-UHFFFAOYSA-N 0 2 423.408 3.736 20 0 HHADLN CCN(CC)C(=O)CN(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 ZINC000302753970 971303962 /nfs/dbraw/zinc/30/39/62/971303962.db2.gz OMYHUMQSGOLERG-UHFFFAOYSA-N 0 2 402.495 3.503 20 0 HHADLN CC(C)(C)NC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1Cl)c2=O ZINC000302794390 971320718 /nfs/dbraw/zinc/32/07/18/971320718.db2.gz URBLVMMWTGYLRA-UHFFFAOYSA-N 0 2 401.919 3.915 20 0 HHADLN O=C(Nc1ccccc1)C(=Cc1ccc([N+](=O)[O-])c(O)c1)C(=O)Nc1ccccc1 ZINC000303059564 971482581 /nfs/dbraw/zinc/48/25/81/971482581.db2.gz UFGDIZIZCAXXPL-UHFFFAOYSA-N 0 2 403.394 3.961 20 0 HHADLN O=C1Cc2cc(S(=O)(=O)Nc3ccccc3OCC(F)(F)F)c(Cl)cc2N1 ZINC000303138283 971523452 /nfs/dbraw/zinc/52/34/52/971523452.db2.gz JZAVJQMYQYEVMZ-UHFFFAOYSA-N 0 2 420.796 3.577 20 0 HHADLN O=S(=O)(Nc1ccnn1CCc1ccccc1)c1cc(Br)ccc1F ZINC000524297257 1013107850 /nfs/dbraw/zinc/10/78/50/1013107850.db2.gz NBFMAHRUXFHNIS-UHFFFAOYSA-N 0 2 424.295 3.828 20 0 HHADLN O=S(=O)(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1cc(F)ccc1F ZINC000303637768 971917210 /nfs/dbraw/zinc/91/72/10/971917210.db2.gz RNHRBAMWYKEKQQ-UHFFFAOYSA-N 0 2 403.332 3.970 20 0 HHADLN CCOC(=O)c1c(C)[nH]c(C(O)=CS(=O)(=O)Cc2c(C)cc(C)cc2C)c1C ZINC000524307078 1013122146 /nfs/dbraw/zinc/12/21/46/1013122146.db2.gz VAPHMWVCBWQSCE-UHFFFAOYSA-N 0 2 405.516 3.531 20 0 HHADLN Cc1cc(NS(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)nn1[C@H](C)C1CC1 ZINC000542230944 1013185193 /nfs/dbraw/zinc/18/51/93/1013185193.db2.gz ISSJJDKPBBBBLD-CYBMUJFWSA-N 0 2 404.467 3.899 20 0 HHADLN COC(=O)c1sc(C(C)(C)C)cc1NS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000006706626 960942420 /nfs/dbraw/zinc/94/24/20/960942420.db2.gz QHXDOFRPMSLNRT-UHFFFAOYSA-N 0 2 413.517 3.650 20 0 HHADLN Cc1csc(C(C#N)C(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)n1 ZINC000007372716 961148522 /nfs/dbraw/zinc/14/85/22/961148522.db2.gz NFXPMUIOGYYGBV-CYBMUJFWSA-N 0 2 403.920 3.963 20 0 HHADLN Cc1cc2sc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)nc2c(C)c1 ZINC000007708359 961292164 /nfs/dbraw/zinc/29/21/64/961292164.db2.gz SSYHEEFYLBGTDP-UHFFFAOYSA-N 0 2 401.513 3.841 20 0 HHADLN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000537728240 1013289087 /nfs/dbraw/zinc/28/90/87/1013289087.db2.gz DAFMBGKHVBKKHL-QGZVFWFLSA-N 0 2 406.269 3.866 20 0 HHADLN COCc1c(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)sc2cccc(F)c21 ZINC000014372066 962490681 /nfs/dbraw/zinc/49/06/81/962490681.db2.gz CWQYTXQFWOHYNM-UHFFFAOYSA-N 0 2 417.487 3.757 20 0 HHADLN Cc1noc(C(C)C)c1C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000014842563 962586677 /nfs/dbraw/zinc/58/66/77/962586677.db2.gz WQIDGYAFAMJILU-UHFFFAOYSA-N 0 2 411.433 3.899 20 0 HHADLN O=C(/C=C/c1nc2ccccc2s1)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000015626494 962819665 /nfs/dbraw/zinc/81/96/65/962819665.db2.gz WTSXDJLTEVSBAR-OUKQBFOZSA-N 0 2 419.462 3.943 20 0 HHADLN CC(C)c1ccccc1OCC(=O)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000015626492 962820127 /nfs/dbraw/zinc/82/01/27/962820127.db2.gz QORSTDWTALKLOE-UHFFFAOYSA-N 0 2 408.454 3.822 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3cc(C)n(-c4ccccc4)n3)cc2F)c1 ZINC000537838034 1013399910 /nfs/dbraw/zinc/39/99/10/1013399910.db2.gz WUJYLXFAAQNIGN-UHFFFAOYSA-N 0 2 411.462 3.615 20 0 HHADLN O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(COc2ccc(F)cc2)o1 ZINC000017157956 963163498 /nfs/dbraw/zinc/16/34/98/963163498.db2.gz ZFVDOXFGHSUPAA-UHFFFAOYSA-N 0 2 412.461 3.975 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)N(C)[C@@H](C)c3ccccc3)cc2[nH]c1=S ZINC000018124931 963273607 /nfs/dbraw/zinc/27/36/07/963273607.db2.gz HDHHQZAIKGVSBB-HNNXBMFYSA-N 0 2 411.527 3.555 20 0 HHADLN Cc1csc(C(C#N)C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000048788720 964061660 /nfs/dbraw/zinc/06/16/60/964061660.db2.gz JUOSBNDUCARJLY-DZGCQCFKSA-N 0 2 407.417 3.695 20 0 HHADLN Cc1csc([C@H](C#N)C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000048788720 964061673 /nfs/dbraw/zinc/06/16/73/964061673.db2.gz JUOSBNDUCARJLY-DZGCQCFKSA-N 0 2 407.417 3.695 20 0 HHADLN CC(C)Cn1ccc2cc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)ccc21 ZINC000050532963 964347387 /nfs/dbraw/zinc/34/73/87/964347387.db2.gz UQGZFRVWCRJBAG-UHFFFAOYSA-N 0 2 406.529 3.502 20 0 HHADLN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)c(Cl)cc2OC)c1 ZINC000026529726 964590846 /nfs/dbraw/zinc/59/08/46/964590846.db2.gz AFYSVZMPCAXAIQ-UHFFFAOYSA-N 0 2 404.271 3.898 20 0 HHADLN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)c1 ZINC000026531870 964591809 /nfs/dbraw/zinc/59/18/09/964591809.db2.gz MBOHGDKAVPGYNL-UHFFFAOYSA-N 0 2 420.270 3.598 20 0 HHADLN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)cc1OC ZINC000026546592 964596324 /nfs/dbraw/zinc/59/63/24/964596324.db2.gz CWUUYTSHEKOBEM-UHFFFAOYSA-N 0 2 404.257 3.796 20 0 HHADLN Cc1ccc2c(CC(=O)NNC(=O)c3ccc(COc4ccccc4)o3)coc2c1 ZINC000026632265 964628912 /nfs/dbraw/zinc/62/89/12/964628912.db2.gz GWMFWYYQMLCZSL-UHFFFAOYSA-N 0 2 404.422 3.917 20 0 HHADLN Cc1nn(Cc2ccccc2)c(Cl)c1CS(=O)(=O)c1nc2ccccc2[nH]1 ZINC000052615329 964937906 /nfs/dbraw/zinc/93/79/06/964937906.db2.gz VXNATGKMWNJPKQ-UHFFFAOYSA-N 0 2 400.891 3.743 20 0 HHADLN O=C(NNC(=S)Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)on1 ZINC000053368876 965146002 /nfs/dbraw/zinc/14/60/02/965146002.db2.gz OLSHNQTXKYVDON-UHFFFAOYSA-N 0 2 406.389 3.992 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000028783671 965181792 /nfs/dbraw/zinc/18/17/92/965181792.db2.gz DOABKFFRULVXJO-UHFFFAOYSA-N 0 2 409.485 3.767 20 0 HHADLN COc1ccc(-c2nc(SCC(=O)N(C)[C@@H](C)CC(C)C)[nH]c(=O)c2C#N)cc1 ZINC000053661181 965241300 /nfs/dbraw/zinc/24/13/00/965241300.db2.gz PCOIJOVYKKVYLG-AWEZNQCLSA-N 0 2 414.531 3.715 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N(C)CCCCc3ccccc3)cc2[nH]c1=S ZINC000056992723 965242006 /nfs/dbraw/zinc/24/20/06/965242006.db2.gz MSONZGVWSSRIBG-UHFFFAOYSA-N 0 2 407.539 3.966 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cc(C)on2)ccc1Cl ZINC000029112718 965270598 /nfs/dbraw/zinc/27/05/98/965270598.db2.gz JFTXOHMQFJFGAW-UHFFFAOYSA-N 0 2 421.862 3.698 20 0 HHADLN COCCCOc1ccccc1NS(=O)(=O)c1ccc(C)cc1Br ZINC000057120918 965292360 /nfs/dbraw/zinc/29/23/60/965292360.db2.gz WEWNDIDKXFMMNR-UHFFFAOYSA-N 0 2 414.321 3.974 20 0 HHADLN CC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)cc1 ZINC000057123286 965296005 /nfs/dbraw/zinc/29/60/05/965296005.db2.gz NHDQRSSNHJUKAG-MRXNPFEDSA-N 0 2 409.891 3.901 20 0 HHADLN Cn1cc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c(-c2ccccc2)n1 ZINC000538004444 1013578654 /nfs/dbraw/zinc/57/86/54/1013578654.db2.gz LZJKYZOVKPJEJX-UHFFFAOYSA-N 0 2 404.451 3.607 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1OC ZINC000057690849 965523636 /nfs/dbraw/zinc/52/36/36/965523636.db2.gz LDESJEFQQWYRND-UHFFFAOYSA-N 0 2 412.439 3.906 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)cc1 ZINC000057733908 965533850 /nfs/dbraw/zinc/53/38/50/965533850.db2.gz WXIXDNXLKLVOHJ-UHFFFAOYSA-N 0 2 416.402 3.691 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2cc(Cl)c(OCCOC)c(Cl)c2)c1C ZINC000538013546 1013585694 /nfs/dbraw/zinc/58/56/94/1013585694.db2.gz BPTCZKIEIUIXBM-UHFFFAOYSA-N 0 2 422.334 3.653 20 0 HHADLN COc1ccc(-c2nc(SCCOc3ccc(C#N)cc3)[nH]c(=O)c2C#N)cc1 ZINC000054749356 965631954 /nfs/dbraw/zinc/63/19/54/965631954.db2.gz IYAHSTDHMQUBKT-UHFFFAOYSA-N 0 2 404.451 3.772 20 0 HHADLN O=S(=O)(Nc1ccc(OCC(F)(F)F)cc1)c1c(Cl)nc2ccccn21 ZINC000054829012 965658770 /nfs/dbraw/zinc/65/87/70/965658770.db2.gz QUABLXYIGOAVRQ-UHFFFAOYSA-N 0 2 405.785 3.730 20 0 HHADLN CC(C)Cc1nc(C(=O)NNC(=S)Nc2cccc(Br)c2)cs1 ZINC000058243568 965663451 /nfs/dbraw/zinc/66/34/51/965663451.db2.gz HLZUEDHUKFCQJV-UHFFFAOYSA-N 0 2 413.366 3.736 20 0 HHADLN CC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1OCC(=O)N1CCCC1 ZINC000054892763 965684243 /nfs/dbraw/zinc/68/42/43/965684243.db2.gz FRVABVQLLHEGNC-WQZUMXOESA-N 0 2 411.458 3.872 20 0 HHADLN O=C1CCCN1Cc1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000030531355 965719840 /nfs/dbraw/zinc/71/98/40/965719840.db2.gz PPBWYLZJZGMWEB-UHFFFAOYSA-N 0 2 405.328 3.978 20 0 HHADLN COc1ccccc1S(=O)(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 ZINC000058704694 965852594 /nfs/dbraw/zinc/85/25/94/965852594.db2.gz AXSXKTMCNGMRKC-UHFFFAOYSA-N 0 2 400.525 3.920 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)NNc3ccc(C)c(Cl)c3)cc2[nH]c1=S ZINC000055543377 965906488 /nfs/dbraw/zinc/90/64/88/965906488.db2.gz SPQKLPXTZZMRNA-UHFFFAOYSA-N 0 2 400.891 3.964 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3ccc4oc(C5CC5)nc4c3)c(F)cc2N1 ZINC000055586205 965939503 /nfs/dbraw/zinc/93/95/03/965939503.db2.gz XNBXCERZWSYYBT-UHFFFAOYSA-N 0 2 401.419 3.530 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1cccc(NC(=O)c2ccccc2)c1 ZINC000055619773 965966757 /nfs/dbraw/zinc/96/67/57/965966757.db2.gz GNAALLZNABZYLM-UHFFFAOYSA-N 0 2 416.480 3.588 20 0 HHADLN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC2CCCC2)cc1 ZINC000055632908 965977508 /nfs/dbraw/zinc/97/75/08/965977508.db2.gz PCBSLXAUCRXEGV-UHFFFAOYSA-N 0 2 409.529 3.602 20 0 HHADLN Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3c(Cl)nc4ccccn43)cc2F)n1 ZINC000055649401 965995066 /nfs/dbraw/zinc/99/50/66/965995066.db2.gz RJSNHLJOVMDFMB-UHFFFAOYSA-N 0 2 419.869 3.730 20 0 HHADLN COc1ccccc1-c1nc(C(=O)NNC(=O)c2cc(C)nc3ccccc32)cs1 ZINC000060480599 966164530 /nfs/dbraw/zinc/16/45/30/966164530.db2.gz KEEPHNLPKMXNDJ-UHFFFAOYSA-N 0 2 418.478 3.750 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(OC)c(OC3CCCC3)c2)c([N+](=O)[O-])c1 ZINC000032098508 966194992 /nfs/dbraw/zinc/19/49/92/966194992.db2.gz HAGPTKSMERFPHR-UHFFFAOYSA-N 0 2 422.459 3.734 20 0 HHADLN COc1ccc([C@H](CCO)NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1 ZINC000542726709 1013638607 /nfs/dbraw/zinc/63/86/07/1013638607.db2.gz CMOOOZSXEJWWEM-INIZCTEOSA-N 0 2 418.906 3.534 20 0 HHADLN COc1cccc(COCCNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c1 ZINC000542727453 1013639967 /nfs/dbraw/zinc/63/99/67/1013639967.db2.gz GWGMEXGEZPALKF-UHFFFAOYSA-N 0 2 418.906 3.627 20 0 HHADLN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1Cl ZINC000032627716 966296755 /nfs/dbraw/zinc/29/67/55/966296755.db2.gz DSUCUBQHCHUZAJ-UHFFFAOYSA-N 0 2 402.850 3.901 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000542730936 1013643346 /nfs/dbraw/zinc/64/33/46/1013643346.db2.gz XXPSZBVWRZMMPI-OAHLLOKOSA-N 0 2 414.918 3.756 20 0 HHADLN CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)/C=C\c3ccccc3)cc2)s1 ZINC000033653477 966411973 /nfs/dbraw/zinc/41/19/73/966411973.db2.gz NBOSTAOGNMECKV-JYRVWZFOSA-N 0 2 414.512 3.553 20 0 HHADLN CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cccc(Cl)c3C)n2)cc1 ZINC000034391090 966415498 /nfs/dbraw/zinc/41/54/98/966415498.db2.gz JLXGDPCQFPZCKR-UHFFFAOYSA-N 0 2 421.931 3.953 20 0 HHADLN O=S(=O)(Nc1ccc(C(F)(F)F)nc1)c1cc(Br)cc2c1OCC2 ZINC000542740516 1013653247 /nfs/dbraw/zinc/65/32/47/1013653247.db2.gz XNORHMSXNBTCEG-UHFFFAOYSA-N 0 2 423.210 3.599 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(OC)cc2C)nc1C1CCCC1 ZINC000542754703 1013662061 /nfs/dbraw/zinc/66/20/61/1013662061.db2.gz ITPIRBRGJZDBTO-UHFFFAOYSA-N 0 2 410.517 3.705 20 0 HHADLN N#C[C@H](C(=O)c1csc(COc2ccc(F)cc2)n1)c1nnc2n1CCCCC2 ZINC000041506421 966582503 /nfs/dbraw/zinc/58/25/03/966582503.db2.gz YQKFYTHWTYHWGG-OAHLLOKOSA-N 0 2 411.462 3.669 20 0 HHADLN Cc1csc(C(C#N)C(=O)C(=Cc2ccco2)n2nnnc2-c2ccccc2)n1 ZINC000041516651 966584261 /nfs/dbraw/zinc/58/42/61/966584261.db2.gz ILXPAJSZTXSVFX-IUPCOXQMSA-N 0 2 402.439 3.573 20 0 HHADLN Cc1csc(C(C#N)C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)n1 ZINC000041515369 966584431 /nfs/dbraw/zinc/58/44/31/966584431.db2.gz NXIXLIOLZVYSBM-DZGCQCFKSA-N 0 2 419.453 3.782 20 0 HHADLN Cc1csc([C@H](C#N)C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)n1 ZINC000041515369 966584438 /nfs/dbraw/zinc/58/44/38/966584438.db2.gz NXIXLIOLZVYSBM-DZGCQCFKSA-N 0 2 419.453 3.782 20 0 HHADLN O=C1c2ccccc2N[C@@H](c2cc([N+](=O)[O-])ccc2O)N1Cc1ccc2c(c1)OCO2 ZINC000041864152 966654227 /nfs/dbraw/zinc/65/42/27/966654227.db2.gz KGESJHPRHHFMHU-OAQYLSRUSA-N 0 2 419.393 3.796 20 0 HHADLN CCCOc1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2F)cc1Cl ZINC000063178798 966767998 /nfs/dbraw/zinc/76/79/98/966767998.db2.gz NBYOTMFHWFEPHW-UHFFFAOYSA-N 0 2 401.843 3.855 20 0 HHADLN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000063639223 966913889 /nfs/dbraw/zinc/91/38/89/966913889.db2.gz HBHOMFYYQXKSJS-KRWDZBQOSA-N 0 2 421.280 3.764 20 0 HHADLN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000063639223 966913894 /nfs/dbraw/zinc/91/38/94/966913894.db2.gz HBHOMFYYQXKSJS-KRWDZBQOSA-N 0 2 421.280 3.764 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2ccccc2C(=O)OC)c(C(F)(F)F)c1 ZINC000064375233 967159903 /nfs/dbraw/zinc/15/99/03/967159903.db2.gz HPAQFPLQTSMMQJ-UHFFFAOYSA-N 0 2 403.378 3.692 20 0 HHADLN O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1cc(=O)c2ccccc2[nH]1 ZINC000064510003 967218826 /nfs/dbraw/zinc/21/88/26/967218826.db2.gz XCEXRZWYTWBNAC-UHFFFAOYSA-N 0 2 419.462 3.581 20 0 HHADLN CCOc1ccc(NC(=S)NNC(=O)c2sccc2Br)cc1 ZINC000045081390 967349293 /nfs/dbraw/zinc/34/92/93/967349293.db2.gz OQHXZEWRBMEKDI-UHFFFAOYSA-N 0 2 400.323 3.541 20 0 HHADLN Cc1cc(C)cc(OCC(=O)NNC(=O)c2cnc(-c3ccccc3Cl)s2)c1 ZINC000065081978 967369430 /nfs/dbraw/zinc/36/94/30/967369430.db2.gz FPZRRJYLNJVSAO-UHFFFAOYSA-N 0 2 415.902 3.920 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2c(C)cnn2[C@@H]2CCCc3ccccc32)cn1 ZINC000542865547 1013719156 /nfs/dbraw/zinc/71/91/56/1013719156.db2.gz LKESSKTZFYYLEU-LJQANCHMSA-N 0 2 412.515 3.712 20 0 HHADLN O=C(NCCc1cccs1)NNC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000065199937 967403525 /nfs/dbraw/zinc/40/35/25/967403525.db2.gz YVSVLBDDYQXYHL-UHFFFAOYSA-N 0 2 423.542 3.525 20 0 HHADLN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S(=O)(=O)Cc2ccc(C(C)C)cc2)c1C ZINC000065517733 967502484 /nfs/dbraw/zinc/50/24/84/967502484.db2.gz DFKGCCRJMVCRQS-HNNXBMFYSA-N 0 2 405.516 3.728 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)NCCCO[C@H](C)c3ccccc3)cc2[nH]c1=S ZINC000045872192 967581621 /nfs/dbraw/zinc/58/16/21/967581621.db2.gz BVQFCRUVDGUSCD-MRXNPFEDSA-N 0 2 423.538 3.769 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cccnc2Oc2ccccc2)cc1OC ZINC000047211898 968090210 /nfs/dbraw/zinc/09/02/10/968090210.db2.gz DOSOADIIWXTCHK-UHFFFAOYSA-N 0 2 404.419 3.831 20 0 HHADLN O=S(=O)(Nc1ccc(Sc2nncs2)cc1)c1ccc(F)c(F)c1F ZINC000047417221 968182711 /nfs/dbraw/zinc/18/27/11/968182711.db2.gz LSHREWOGHGVWKL-UHFFFAOYSA-N 0 2 403.432 3.907 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)Nc3nc(C(F)(F)F)cs3)cc2[nH]c1=S ZINC000047930177 968368270 /nfs/dbraw/zinc/36/82/70/968368270.db2.gz ZZVQJYVEUKKKHM-UHFFFAOYSA-N 0 2 412.418 3.599 20 0 HHADLN O=S(=O)(Cc1csc(COc2ccc(F)cc2)n1)c1nc2ccccc2[nH]1 ZINC000047939998 968373327 /nfs/dbraw/zinc/37/33/27/968373327.db2.gz LTQFGNVWJFQAOR-UHFFFAOYSA-N 0 2 403.460 3.711 20 0 HHADLN O=S(=O)(Nc1cccc(I)c1)c1cccc(Cl)c1F ZINC000048653161 968632703 /nfs/dbraw/zinc/63/27/03/968632703.db2.gz BEEGSYDBISDIKX-UHFFFAOYSA-N 0 2 411.623 3.885 20 0 HHADLN Cc1cc(I)ccc1NS(=O)(=O)c1cc(F)ccc1F ZINC000069572729 968839314 /nfs/dbraw/zinc/83/93/14/968839314.db2.gz AJLODWHWDHTDAE-UHFFFAOYSA-N 0 2 409.195 3.679 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)N3CCCc4cc(C)ccc43)cc2[nH]c1=S ZINC000071828935 968866681 /nfs/dbraw/zinc/86/66/81/968866681.db2.gz DJJCWKCFSVXART-UHFFFAOYSA-N 0 2 423.538 3.623 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)cc1OC ZINC000072034560 968946818 /nfs/dbraw/zinc/94/68/18/968946818.db2.gz GIJZUAJAADNWPQ-UHFFFAOYSA-N 0 2 408.373 3.618 20 0 HHADLN O=S(=O)(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc(F)c2ncccc12 ZINC000072045297 968956782 /nfs/dbraw/zinc/95/67/82/968956782.db2.gz KLFQSSXMAXAYDK-QGZVFWFLSA-N 0 2 412.446 3.903 20 0 HHADLN COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)nc1 ZINC000111009602 969759283 /nfs/dbraw/zinc/75/92/83/969759283.db2.gz DJQMTWSYCJTRHI-UHFFFAOYSA-N 0 2 412.092 3.960 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3cccc(OCC(F)(F)F)c3)cc2[nH]c1=S ZINC000116965377 969932836 /nfs/dbraw/zinc/93/28/36/969932836.db2.gz FSCWMMYOONKGOE-UHFFFAOYSA-N 0 2 423.416 3.899 20 0 HHADLN O=C(Nc1ccc(Cn2cncn2)cc1)c1[nH]nc(-c2ccccc2)c1Br ZINC000195693986 969962358 /nfs/dbraw/zinc/96/23/58/969962358.db2.gz FSQMRSWCKNLWFR-UHFFFAOYSA-N 0 2 423.274 3.731 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cccc(Br)n2)ccc1Br ZINC000134507263 969974825 /nfs/dbraw/zinc/97/48/25/969974825.db2.gz HAJIZTNNULMHLG-UHFFFAOYSA-N 0 2 406.099 3.716 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NCCc3c[nH]c4cc(F)ccc34)cc2[nH]c1=S ZINC000138749194 970010002 /nfs/dbraw/zinc/01/00/02/970010002.db2.gz BTXFYKVEEFKFEQ-UHFFFAOYSA-N 0 2 410.474 3.672 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N(Cc3ccco3)Cc3cccnc3)cc2[nH]c1=S ZINC000218969326 970088648 /nfs/dbraw/zinc/08/86/48/970088648.db2.gz MVGJGMKKSWOJPR-UHFFFAOYSA-N 0 2 420.494 3.536 20 0 HHADLN Cn1ccc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc21 ZINC000223564538 970104902 /nfs/dbraw/zinc/10/49/02/970104902.db2.gz XJDCVAQSTRNSPK-UHFFFAOYSA-N 0 2 412.496 3.688 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)cc2[nH]c1=S ZINC000249696726 970530832 /nfs/dbraw/zinc/53/08/32/970530832.db2.gz SXEVXCBJMOVIIL-UHFFFAOYSA-N 0 2 409.298 3.846 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3ccccc3OCC(F)(F)F)cc2[nH]c1=S ZINC000249700741 970531120 /nfs/dbraw/zinc/53/11/20/970531120.db2.gz XWMPJMHKXMECRP-UHFFFAOYSA-N 0 2 423.416 3.899 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)cc1 ZINC000318790447 972666322 /nfs/dbraw/zinc/66/63/22/972666322.db2.gz SJDPMDZPOGAWSV-UHFFFAOYSA-N 0 2 404.669 3.690 20 0 HHADLN O=C1CCc2cc(NS(=O)(=O)c3c(Cl)cccc3Br)ccc2N1 ZINC000323840669 972715677 /nfs/dbraw/zinc/71/56/77/972715677.db2.gz VYJDBIYIOWLIDN-UHFFFAOYSA-N 0 2 415.696 3.788 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(Br)cc1F ZINC000389569518 972813667 /nfs/dbraw/zinc/81/36/67/972813667.db2.gz BJNOCKFGLXMODM-UHFFFAOYSA-N 0 2 408.270 3.546 20 0 HHADLN O=S(=O)(Nc1ccc(-c2cc[nH]n2)cc1)c1cc(Br)cnc1Cl ZINC000390380903 972823123 /nfs/dbraw/zinc/82/31/23/972823123.db2.gz VCCSJVPDMANWGE-UHFFFAOYSA-N 0 2 413.684 3.688 20 0 HHADLN COC(=O)c1ccc(C)c(NS(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000391950755 972846670 /nfs/dbraw/zinc/84/66/70/972846670.db2.gz GDKXOZCQIYHKQU-UHFFFAOYSA-N 0 2 418.696 3.998 20 0 HHADLN O=S(=O)(Nc1nc(Cc2ccccc2)cs1)c1ccc2c(c1)OCCCO2 ZINC000409488135 972938752 /nfs/dbraw/zinc/93/87/52/972938752.db2.gz XZWLPLJVGKUQMP-UHFFFAOYSA-N 0 2 402.497 3.696 20 0 HHADLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)c1 ZINC000409491701 972943378 /nfs/dbraw/zinc/94/33/78/972943378.db2.gz NUSGZXUGYJLNBH-UHFFFAOYSA-N 0 2 402.497 3.630 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2nc(C)c(Cc3cccc(F)c3)s2)c1 ZINC000409520207 972976305 /nfs/dbraw/zinc/97/63/05/972976305.db2.gz PVONIKMHKRCDBI-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN CCOC(=O)c1cccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 ZINC000409533669 972989589 /nfs/dbraw/zinc/98/95/89/972989589.db2.gz HTXMQNSPKLTHTA-UHFFFAOYSA-N 0 2 420.487 3.851 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)c1 ZINC000409536578 972992771 /nfs/dbraw/zinc/99/27/71/972992771.db2.gz PCCHXDQYRBEQTR-UHFFFAOYSA-N 0 2 416.524 3.938 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(C)c(Cc3cccc(C)c3)s2)cc1 ZINC000409541330 972997495 /nfs/dbraw/zinc/99/74/95/972997495.db2.gz QVRZXUWAXZIVMD-UHFFFAOYSA-N 0 2 416.524 3.938 20 0 HHADLN CC(C)(C)c1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)n(C(C)(C)C)n1 ZINC000409581881 973031543 /nfs/dbraw/zinc/03/15/43/973031543.db2.gz NCIBFUKIDQOLMC-UHFFFAOYSA-N 0 2 418.563 3.863 20 0 HHADLN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N=c1nc(C(C)(C)C)[nH]s1)O[C@@H](C)C2 ZINC000409926968 973388606 /nfs/dbraw/zinc/38/86/06/973388606.db2.gz SZXUZLMFALKTCS-WHOFXGATSA-N 0 2 401.532 3.722 20 0 HHADLN C[C@@H](CCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1 ZINC000410212284 973707679 /nfs/dbraw/zinc/70/76/79/973707679.db2.gz BUGRYFPGEYAIJN-HNNXBMFYSA-N 0 2 415.540 3.868 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccc4ccc(Cl)cc4n3)cc21 ZINC000410320787 973867842 /nfs/dbraw/zinc/86/78/42/973867842.db2.gz HKAXPDZMLLVLDE-UHFFFAOYSA-N 0 2 401.875 3.598 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3cccc(OCC(F)F)n3)c2)n1 ZINC000410324236 973876133 /nfs/dbraw/zinc/87/61/33/973876133.db2.gz BQLRPMQRVBYZIK-UHFFFAOYSA-N 0 2 411.455 3.958 20 0 HHADLN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2ccc3ccc(Cl)cc3n2)c1 ZINC000410330988 973905112 /nfs/dbraw/zinc/90/51/12/973905112.db2.gz RIUMDMZFFJANOY-UHFFFAOYSA-N 0 2 424.931 3.709 20 0 HHADLN CC(C)Oc1c(Cl)cccc1NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000410385508 973983451 /nfs/dbraw/zinc/98/34/51/973983451.db2.gz RNPABBPJJCYUMZ-UHFFFAOYSA-N 0 2 403.287 3.680 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)cc1OC ZINC000410393622 973991832 /nfs/dbraw/zinc/99/18/32/973991832.db2.gz QJWKWHBAEAOPDO-UHFFFAOYSA-N 0 2 423.535 3.532 20 0 HHADLN CC(C)c1c(NS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)cnn1-c1ccccc1 ZINC000410399222 973998286 /nfs/dbraw/zinc/99/82/86/973998286.db2.gz NWAUMYGFPGRKEH-UHFFFAOYSA-N 0 2 418.906 3.549 20 0 HHADLN COc1ccc(Br)c(CC(=O)Nc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000425933260 974043375 /nfs/dbraw/zinc/04/33/75/974043375.db2.gz UBLDFFFSNZPISN-UHFFFAOYSA-N 0 2 405.227 3.563 20 0 HHADLN COCc1nsc(NC[C@@H](c2c[nH]c3ccccc32)c2cccc(OC)c2OC)n1 ZINC000426583995 974545579 /nfs/dbraw/zinc/54/55/79/974545579.db2.gz NCOXHCUAQRFMOE-QGZVFWFLSA-N 0 2 424.526 3.849 20 0 HHADLN Cc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2ncc(Br)cc2Br)o1 ZINC000426778030 974653383 /nfs/dbraw/zinc/65/33/83/974653383.db2.gz SYWGEWNOXAOCAE-LLVKDONJSA-N 0 2 418.085 3.814 20 0 HHADLN O=C([O-])[C@H]([NH2+]Cc1cnc(-c2ccccn2)s1)c1ccc(Br)cc1 ZINC000426809257 974676561 /nfs/dbraw/zinc/67/65/61/974676561.db2.gz COXLVISZGYBERG-OAHLLOKOSA-N 0 2 404.289 3.883 20 0 HHADLN CCNC(=O)c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c(C)c1 ZINC000427112239 974912893 /nfs/dbraw/zinc/91/28/93/974912893.db2.gz AQGJRJHCFAVOEX-UHFFFAOYSA-N 0 2 420.384 3.583 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2C)cnn1C ZINC000427208680 974979974 /nfs/dbraw/zinc/97/99/74/974979974.db2.gz HPHWQLJDCNYMIF-UHFFFAOYSA-N 0 2 407.499 3.690 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)cnn1C ZINC000427214370 974983044 /nfs/dbraw/zinc/98/30/44/974983044.db2.gz ZEDCPFAUEDXHKH-FQEVSTJZSA-N 0 2 424.526 3.507 20 0 HHADLN CNC(=O)c1cc(Oc2cccc(NS(=O)(=O)c3cc(C)c(C)s3)c2)ccn1 ZINC000427293547 975031098 /nfs/dbraw/zinc/03/10/98/975031098.db2.gz CNABJJZDTAEYGH-UHFFFAOYSA-N 0 2 417.512 3.713 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cnn(C3CCCC3)c2C)c1 ZINC000427306034 975040262 /nfs/dbraw/zinc/04/02/62/975040262.db2.gz ZILBLZJSUXNCTD-UHFFFAOYSA-N 0 2 411.911 3.938 20 0 HHADLN CCOC(=O)c1cc(COC)cc(NS(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000427319787 975049265 /nfs/dbraw/zinc/04/92/65/975049265.db2.gz JNHPSBUBLGMHPM-UHFFFAOYSA-N 0 2 401.843 3.603 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2nc(C(C)(C)C)co2)c(F)c1Cl ZINC000427749521 975267011 /nfs/dbraw/zinc/26/70/11/975267011.db2.gz QCLPUQHAPGATOX-UHFFFAOYSA-N 0 2 407.826 3.663 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cnn(C)c2C)sc1Cc1ccc(Cl)cc1F ZINC000427751030 975267495 /nfs/dbraw/zinc/26/74/95/975267495.db2.gz ZMNUHQOOVFWSGS-UHFFFAOYSA-N 0 2 414.915 3.678 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)c1 ZINC000427758632 975272152 /nfs/dbraw/zinc/27/21/52/975272152.db2.gz LGFSGKGIVYACPH-UHFFFAOYSA-N 0 2 408.785 3.731 20 0 HHADLN CN1Cc2cccc(NS(=O)(=O)c3cc(Cl)c(Br)cc3F)c2C1 ZINC000427767845 975277849 /nfs/dbraw/zinc/27/78/49/975277849.db2.gz PWYQRMMXXMEUOP-UHFFFAOYSA-N 0 2 419.703 3.988 20 0 HHADLN CCOC(=O)c1cc(COC)cc(S(=O)(=O)Nc2ccnn2[C@@H](C)CC(C)C)c1 ZINC000427769579 975278798 /nfs/dbraw/zinc/27/87/98/975278798.db2.gz VJMWFPVOPQKAIS-HNNXBMFYSA-N 0 2 423.535 3.614 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3ccc4nc(C)sc4c3)o2)cc1 ZINC000427773027 975280385 /nfs/dbraw/zinc/28/03/85/975280385.db2.gz HVBHAFSAMWDLIH-UHFFFAOYSA-N 0 2 416.484 3.854 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)cc1I ZINC000427777805 975283242 /nfs/dbraw/zinc/28/32/42/975283242.db2.gz DVDYGUXZVFYSCW-UHFFFAOYSA-N 0 2 420.297 3.734 20 0 HHADLN CCOC(=O)C(=C(O)Cn1c2ccccc2nc1C(F)(F)F)c1nc(C)cs1 ZINC000428648094 975949096 /nfs/dbraw/zinc/94/90/96/975949096.db2.gz KRLGRVZIXFASGE-CQSZACIVSA-N 0 2 411.405 3.736 20 0 HHADLN CN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)nc1 ZINC000430363465 977503528 /nfs/dbraw/zinc/50/35/28/977503528.db2.gz XSGQOUJUEYAFQY-UHFFFAOYSA-N 0 2 421.522 3.643 20 0 HHADLN COc1ncccc1CNC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430442228 977552300 /nfs/dbraw/zinc/55/23/00/977552300.db2.gz XDHRYPUREPJDGX-UHFFFAOYSA-N 0 2 401.422 3.654 20 0 HHADLN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cnc2ccc(Oc3ccccc3)cc2c1O ZINC000430668506 977680358 /nfs/dbraw/zinc/68/03/58/977680358.db2.gz XSQLOCAOZNZIEJ-UHFFFAOYSA-N 0 2 424.420 3.753 20 0 HHADLN NC(=O)Nc1cc(NS(=O)(=O)c2c(Cl)cccc2Br)ccc1F ZINC000431173544 978073307 /nfs/dbraw/zinc/07/33/07/978073307.db2.gz SIWURJLOLZIXTB-UHFFFAOYSA-N 0 2 422.663 3.533 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)cc1OC ZINC000431319596 978205190 /nfs/dbraw/zinc/20/51/90/978205190.db2.gz SNXJBWXDVWRGCM-UHFFFAOYSA-N 0 2 405.501 3.640 20 0 HHADLN COCCOc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)cc1 ZINC000431320801 978206091 /nfs/dbraw/zinc/20/60/91/978206091.db2.gz OIRPAHLWWKDKAN-UHFFFAOYSA-N 0 2 419.528 3.648 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(Br)c2)s1)c1cccc(F)c1 ZINC000431323920 978209524 /nfs/dbraw/zinc/20/95/24/978209524.db2.gz RKPAQZGAPQRELR-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)c(C)cc1Br ZINC000431329793 978215000 /nfs/dbraw/zinc/21/50/00/978215000.db2.gz DIDXIFLWXSPOTN-UHFFFAOYSA-N 0 2 416.244 3.737 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2c(C)cccc2F)cc(Br)c1F ZINC000431908507 978592622 /nfs/dbraw/zinc/59/26/22/978592622.db2.gz CLCNESIDSPEDLZ-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccccc2COC)cnn1-c1ccc(F)cc1 ZINC000432074313 978669749 /nfs/dbraw/zinc/66/97/49/978669749.db2.gz BGZUSYHHDOTSDA-UHFFFAOYSA-N 0 2 403.479 3.911 20 0 HHADLN COCCCOc1cccc(NS(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000432183921 978703845 /nfs/dbraw/zinc/70/38/45/978703845.db2.gz BZMJOBJFGUKGKR-UHFFFAOYSA-N 0 2 418.284 3.804 20 0 HHADLN CN(C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@H]1CCC(C)(C)C1 ZINC000432202246 978711724 /nfs/dbraw/zinc/71/17/24/978711724.db2.gz IRQONAYKTMESTD-CQSZACIVSA-N 0 2 408.549 3.986 20 0 HHADLN COCCn1nc(C)c(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1C ZINC000432210198 978715148 /nfs/dbraw/zinc/71/51/48/978715148.db2.gz KSOAYBYWLUNBHS-UHFFFAOYSA-N 0 2 412.726 3.907 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C)Cc2ccc(Br)o2)=N1 ZINC000432279187 978741228 /nfs/dbraw/zinc/74/12/28/978741228.db2.gz FVRLQKYTMNHMHK-UHFFFAOYSA-N 0 2 408.227 3.653 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(Cc2ccncc2)Cc2cccnc2)=N1 ZINC000432304512 978754176 /nfs/dbraw/zinc/75/41/76/978754176.db2.gz ZTPJXPZLPHQFEY-UHFFFAOYSA-N 0 2 417.444 3.658 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000432423421 978805447 /nfs/dbraw/zinc/80/54/47/978805447.db2.gz XSVJYFDLXHNALW-QWHCGFSZSA-N 0 2 408.455 3.968 20 0 HHADLN CCn1ccnc1[C@H]1CCCCN1C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000432438549 978813106 /nfs/dbraw/zinc/81/31/06/978813106.db2.gz APVZCUUXGJAXAY-MRXNPFEDSA-N 0 2 412.519 3.611 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cc(-c2ccc(F)cc2F)nn1C ZINC000432964048 979026718 /nfs/dbraw/zinc/02/67/18/979026718.db2.gz CNZIITKMVHQANF-UHFFFAOYSA-N 0 2 423.489 3.635 20 0 HHADLN Cn1nc([C@@H]2CCCO2)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000432969486 979028699 /nfs/dbraw/zinc/02/86/99/979028699.db2.gz FXSUSBUSJNWVHF-ZDUSSCGKSA-N 0 2 409.817 3.745 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2C[C@H]2C2CCCCC2)c(F)c1Cl ZINC000433457577 979315844 /nfs/dbraw/zinc/31/58/44/979315844.db2.gz BUELPYPCMALZFW-WCQYABFASA-N 0 2 406.882 3.824 20 0 HHADLN CCc1ccc(O)c(NS(=O)(=O)c2cc(Br)c(C)cc2OC)c1 ZINC000433500019 979339929 /nfs/dbraw/zinc/33/99/29/979339929.db2.gz VFYBAPIHMNFCMP-UHFFFAOYSA-N 0 2 400.294 3.835 20 0 HHADLN CCc1cccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)c1 ZINC000433519085 979353109 /nfs/dbraw/zinc/35/31/09/979353109.db2.gz SPIGGQDOUIPUQF-UHFFFAOYSA-N 0 2 416.524 3.851 20 0 HHADLN COc1cc(C)cc(C)c1S(=O)(=O)Nc1cc(F)ccc1OC[C@@H]1CCCO1 ZINC000434636500 980311271 /nfs/dbraw/zinc/31/12/71/980311271.db2.gz ZTJUKDWBWYLBFO-INIZCTEOSA-N 0 2 409.479 3.810 20 0 HHADLN CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434685098 980337817 /nfs/dbraw/zinc/33/78/17/980337817.db2.gz MLIGRLHEQBDNHH-HXUWFJFHSA-N 0 2 412.603 3.996 20 0 HHADLN CCCc1ccc(-c2cc(NS(=O)(=O)c3ccc(F)c(NC(C)=O)c3)[nH]n2)cc1 ZINC000434963703 980535053 /nfs/dbraw/zinc/53/50/53/980535053.db2.gz MWJBXOXCOMXTEX-UHFFFAOYSA-N 0 2 416.478 3.928 20 0 HHADLN CNC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1Cl ZINC000435505561 980907673 /nfs/dbraw/zinc/90/76/73/980907673.db2.gz PEXUWGLLLPKVJG-UHFFFAOYSA-N 0 2 411.669 3.946 20 0 HHADLN Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@H]1c1ccc(Br)c(F)c1)c2=O ZINC000435967528 981120113 /nfs/dbraw/zinc/12/01/13/981120113.db2.gz UFHDYKVUARENNJ-HNNXBMFYSA-N 0 2 419.254 3.553 20 0 HHADLN CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000436010286 981153083 /nfs/dbraw/zinc/15/30/83/981153083.db2.gz GNQFARGAQUEUHP-UHFFFAOYSA-N 0 2 404.385 3.703 20 0 HHADLN COc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)ccc1NC(C)=O ZINC000436013614 981155398 /nfs/dbraw/zinc/15/53/98/981155398.db2.gz NMYTXJVXNBWOFH-UHFFFAOYSA-N 0 2 406.357 3.612 20 0 HHADLN Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2cnc(-c3ccccc3)nc2)n1 ZINC000436029950 981168314 /nfs/dbraw/zinc/16/83/14/981168314.db2.gz TXERVFAZKHLWOH-UHFFFAOYSA-N 0 2 405.483 3.747 20 0 HHADLN O=S(=O)(Nc1cccnc1OCC(F)F)c1ccc(C(F)(F)F)cc1F ZINC000436167468 981231120 /nfs/dbraw/zinc/23/11/20/981231120.db2.gz VCZIXCFCCNYJEA-UHFFFAOYSA-N 0 2 400.300 3.684 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(NC(C)=O)c2ccccc21 ZINC000436168408 981231695 /nfs/dbraw/zinc/23/16/95/981231695.db2.gz XSQHVRILLDOKGC-UHFFFAOYSA-N 0 2 418.496 3.756 20 0 HHADLN COc1cc(CN(C)C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)cc(OC)c1 ZINC000436460701 981386107 /nfs/dbraw/zinc/38/61/07/981386107.db2.gz VXAXSPKDEBOFQD-UHFFFAOYSA-N 0 2 401.850 3.521 20 0 HHADLN O=C(c1cc(F)cc(Br)c1[O-])N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000436511716 981410500 /nfs/dbraw/zinc/41/05/00/981410500.db2.gz HPBSDYVWJMBMFH-LBPRGKRZSA-N 0 2 422.298 3.846 20 0 HHADLN O=C(NCc1ccc(NC(=O)c2ccc(F)cc2)cc1)c1cc(F)c(O)c(F)c1 ZINC000436523897 981416615 /nfs/dbraw/zinc/41/66/15/981416615.db2.gz DOAIYVSKHDXCFR-UHFFFAOYSA-N 0 2 400.356 3.992 20 0 HHADLN O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1cc(F)c(O)c(F)c1 ZINC000436526583 981419155 /nfs/dbraw/zinc/41/91/55/981419155.db2.gz AKCUAKGMSCQACG-NSHDSACASA-N 0 2 411.246 3.689 20 0 HHADLN O=S(=O)(c1ccc(O)c(-c2nc(-c3ccc(Cl)cc3F)no2)c1)N1CCCC1 ZINC000436529781 981422861 /nfs/dbraw/zinc/42/28/61/981422861.db2.gz CKPMOUSXFHLGBV-UHFFFAOYSA-N 0 2 423.853 3.686 20 0 HHADLN CC(=O)c1ccc(O)c(NS(=O)(=O)c2cccc(Br)c2Cl)c1 ZINC000436536904 981427390 /nfs/dbraw/zinc/42/73/90/981427390.db2.gz WEJNONUIPKEPOF-UHFFFAOYSA-N 0 2 404.669 3.812 20 0 HHADLN Cc1ncsc1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000436581731 981458639 /nfs/dbraw/zinc/45/86/39/981458639.db2.gz BRKMQWOHLJYJHT-UHFFFAOYSA-N 0 2 423.903 3.864 20 0 HHADLN C[C@H](NC(=O)c1cc(Cl)cc(Br)c1O)c1nc(C(C)(C)C)no1 ZINC000436639432 981488267 /nfs/dbraw/zinc/48/82/67/981488267.db2.gz PAWJUYPCUOHZQV-ZETCQYMHSA-N 0 2 402.676 3.980 20 0 HHADLN CC(C)n1ncc2c1C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1O)CC2 ZINC000436666356 981500710 /nfs/dbraw/zinc/50/07/10/981500710.db2.gz SNJOBDMMTAONHY-LBPRGKRZSA-N 0 2 412.715 3.873 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cc(OCc2ccccc2)ccc1O ZINC000436689542 981513716 /nfs/dbraw/zinc/51/37/16/981513716.db2.gz OJPMYVJLCPZGKR-UHFFFAOYSA-N 0 2 402.410 3.714 20 0 HHADLN O=C(NCCc1cc(C(F)(F)F)ccn1)c1cc(F)cc(Br)c1O ZINC000436726958 981533910 /nfs/dbraw/zinc/53/39/10/981533910.db2.gz XFVIDLNQJOYOFF-UHFFFAOYSA-N 0 2 407.161 3.680 20 0 HHADLN C[S@@](=O)Cc1ccc(CNC(=O)c2cc(Cl)cc(Br)c2O)cc1 ZINC000436741440 981540989 /nfs/dbraw/zinc/54/09/89/981540989.db2.gz VSABLJYRZGAWRL-HSZRJFAPSA-N 0 2 416.724 3.617 20 0 HHADLN O=C(NCc1cccnc1N1CCOCC1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436761756 981550504 /nfs/dbraw/zinc/55/05/04/981550504.db2.gz ONVBCOAULSPDMY-UHFFFAOYSA-N 0 2 423.900 3.874 20 0 HHADLN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(F)cc(Cl)c1O ZINC000436781301 981558805 /nfs/dbraw/zinc/55/88/05/981558805.db2.gz BNLZZTPMGHBBQL-UHFFFAOYSA-N 0 2 401.768 3.668 20 0 HHADLN CC(C)CN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1O)c1ccc(Cl)cc1 ZINC000436783584 981559370 /nfs/dbraw/zinc/55/93/70/981559370.db2.gz MVHVNSOVMHPRIP-UHFFFAOYSA-N 0 2 410.923 3.599 20 0 HHADLN CCC(C)(C)OCc1ccccc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O ZINC000436798857 981567681 /nfs/dbraw/zinc/56/76/81/981567681.db2.gz WECTYVBBGZUNAD-UHFFFAOYSA-N 0 2 420.531 3.600 20 0 HHADLN C[C@@H](c1ccsc1)N1CCN(C(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436847685 981588524 /nfs/dbraw/zinc/58/85/24/981588524.db2.gz GIJXICRFLQREMF-NSHDSACASA-N 0 2 413.312 3.874 20 0 HHADLN Cc1cn2c(nc(C)c2CN(C)C(=O)c2cc(F)cc(Br)c2O)s1 ZINC000436848680 981588986 /nfs/dbraw/zinc/58/89/86/981588986.db2.gz PJMRGHXHVPXABG-UHFFFAOYSA-N 0 2 412.284 3.892 20 0 HHADLN O=C(NCc1nccn1CCc1ccccc1)c1cc(F)cc(Br)c1O ZINC000436850428 981589874 /nfs/dbraw/zinc/58/98/74/981589874.db2.gz HYUWTJIPEWNEEP-UHFFFAOYSA-N 0 2 418.266 3.663 20 0 HHADLN Cn1cc(-c2ccccc2CNC(=O)c2cc(F)cc(Br)c2O)cn1 ZINC000436852257 981591416 /nfs/dbraw/zinc/59/14/16/981591416.db2.gz ORNLOSWIBKIHJB-UHFFFAOYSA-N 0 2 404.239 3.624 20 0 HHADLN CC(C)c1nc([C@H]2CCCN(C(=O)c3cc(F)cc(Br)c3O)C2)no1 ZINC000436852171 981591508 /nfs/dbraw/zinc/59/15/08/981591508.db2.gz NZBSHYXOQYULQQ-JTQLQIEISA-N 0 2 412.259 3.820 20 0 HHADLN CCOC(=O)[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2O)Cc2ccccc21 ZINC000436852607 981591530 /nfs/dbraw/zinc/59/15/30/981591530.db2.gz ANNLDAOLLJDBTD-OAHLLOKOSA-N 0 2 422.250 3.597 20 0 HHADLN COCCc1nc2cc(NC(=O)c3cc(F)cc(Br)c3O)ccc2o1 ZINC000436854036 981591996 /nfs/dbraw/zinc/59/19/96/981591996.db2.gz RTDQPZPVMFYEFB-UHFFFAOYSA-N 0 2 409.211 3.876 20 0 HHADLN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)c1cc(F)cc(Br)c1O)C2 ZINC000436861089 981595751 /nfs/dbraw/zinc/59/57/51/981595751.db2.gz ZHIMZTYNKLRNLW-NSHDSACASA-N 0 2 410.287 3.533 20 0 HHADLN Cc1ccc(NC(=O)c2cc(F)cc(Br)c2O)cc1N1C(=O)CCC1=O ZINC000436866300 981596890 /nfs/dbraw/zinc/59/68/90/981596890.db2.gz XXJGKQRGXRYQEW-UHFFFAOYSA-N 0 2 421.222 3.508 20 0 HHADLN CCN(C(=O)c1cc(F)cc(Br)c1O)[C@H]1CCN(c2ccccc2)C1=O ZINC000436885658 981601423 /nfs/dbraw/zinc/60/14/23/981601423.db2.gz IKRLJUCOXSNDMC-INIZCTEOSA-N 0 2 421.266 3.561 20 0 HHADLN Cc1ccc([C@@H](C)c2noc(-c3cc(S(=O)(=O)N4CCCC4)ccc3O)n2)cc1 ZINC000436934888 981632759 /nfs/dbraw/zinc/63/27/59/981632759.db2.gz UPQPLUDAZJLADJ-OAHLLOKOSA-N 0 2 413.499 3.687 20 0 HHADLN O=C(NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1)c1cc(F)c(O)c(F)c1 ZINC000436967108 981653667 /nfs/dbraw/zinc/65/36/67/981653667.db2.gz OLUNQJFSGNZBJQ-OAHLLOKOSA-N 0 2 407.417 3.884 20 0 HHADLN COc1cc(NC(=O)c2c(O)cccc2F)ccc1NC(=O)c1c(O)cccc1F ZINC000436980644 981664365 /nfs/dbraw/zinc/66/43/65/981664365.db2.gz QTSUWLFBZPMUNS-UHFFFAOYSA-N 0 2 414.364 3.889 20 0 HHADLN CCCCCc1nnc(NS(=O)(=O)c2ccc(F)cc2Br)s1 ZINC000437165837 981817496 /nfs/dbraw/zinc/81/74/96/981817496.db2.gz HBGUPOBWNODICG-UHFFFAOYSA-N 0 2 408.318 3.973 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)s2)c(C)c1 ZINC000437184555 981841413 /nfs/dbraw/zinc/84/14/13/981841413.db2.gz NIEABFJWRQSTMB-UHFFFAOYSA-N 0 2 407.492 3.776 20 0 HHADLN CCCCCc1nnc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)s1 ZINC000437198018 981856093 /nfs/dbraw/zinc/85/60/93/981856093.db2.gz IDLOHBIRCAFLOF-UHFFFAOYSA-N 0 2 420.919 3.823 20 0 HHADLN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3F)s2)cc1 ZINC000437200400 981858719 /nfs/dbraw/zinc/85/87/19/981858719.db2.gz GWRZBXYGSDTWLX-UHFFFAOYSA-N 0 2 419.503 3.908 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2ncc(-c3cncc(F)c3)cn2)c1 ZINC000448544603 981873615 /nfs/dbraw/zinc/87/36/15/981873615.db2.gz UTLGXKDLPIXNRO-UHFFFAOYSA-N 0 2 423.267 3.549 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ncc(-c3ccccc3)s2)c(F)c1 ZINC000437317876 981969743 /nfs/dbraw/zinc/96/97/43/981969743.db2.gz WGEVTLJCGOFLCF-UHFFFAOYSA-N 0 2 409.439 3.848 20 0 HHADLN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ncc(C(C)C)s1 ZINC000437322126 981973006 /nfs/dbraw/zinc/97/30/06/981973006.db2.gz LEVKFZSDDUCVJT-UHFFFAOYSA-N 0 2 408.423 3.873 20 0 HHADLN COC(=O)c1ccncc1NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000437333294 981984043 /nfs/dbraw/zinc/98/40/43/981984043.db2.gz BRIQRFWKNSVVGR-UHFFFAOYSA-N 0 2 405.501 3.576 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cn2)c1 ZINC000437399359 982043488 /nfs/dbraw/zinc/04/34/88/982043488.db2.gz AZENGOJHKHMMHY-UHFFFAOYSA-N 0 2 402.859 3.989 20 0 HHADLN O=C(Nc1ccc(Br)c(F)c1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000460384996 982163069 /nfs/dbraw/zinc/16/30/69/982163069.db2.gz HPNDAXLTMBCFOQ-VIFPVBQESA-N 0 2 413.193 3.858 20 0 HHADLN Cc1cc(C[C@H](C)NC(=O)NC[C@@]2(CO)C[C@@H]2c2ccccc2)n(-c2ccccc2)n1 ZINC000460384897 982163161 /nfs/dbraw/zinc/16/31/61/982163161.db2.gz HHNBWWTXMSEKIA-XYURVEJXSA-N 0 2 418.541 3.577 20 0 HHADLN CC(=O)Nc1cc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)ccc1C ZINC000460438802 982229795 /nfs/dbraw/zinc/22/97/95/982229795.db2.gz VBUGUBLQBAFVNJ-UHFFFAOYSA-N 0 2 418.906 3.902 20 0 HHADLN CCOC(=O)c1cccc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c1 ZINC000460458324 982252116 /nfs/dbraw/zinc/25/21/16/982252116.db2.gz ZFIILMIYEKJMLX-UHFFFAOYSA-N 0 2 419.890 3.812 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(F)c(C)c2)nc1C(F)(F)F ZINC000460535908 982323032 /nfs/dbraw/zinc/32/30/32/982323032.db2.gz UWDHQJRAOCKUAT-UHFFFAOYSA-N 0 2 412.386 3.587 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1)c1ccncc1 ZINC000437918937 982462755 /nfs/dbraw/zinc/46/27/55/982462755.db2.gz XXWGIDKECMFYHG-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN C[C@@H](CNC(=O)N=c1nc(C(C)(C)C)[nH]s1)Oc1cccc(Br)c1 ZINC000437949328 982480595 /nfs/dbraw/zinc/48/05/95/982480595.db2.gz DFVGSWMPDRTXCZ-JTQLQIEISA-N 0 2 413.341 3.609 20 0 HHADLN O=S(=O)(Nc1ccc(OCc2ccncc2)cc1)c1cnn(-c2ccccc2F)c1 ZINC000460822508 982574066 /nfs/dbraw/zinc/57/40/66/982574066.db2.gz FMJRZKKOPIQBEL-UHFFFAOYSA-N 0 2 424.457 3.786 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc3n[nH]cc3cc2C)cnn1-c1ccc(Cl)cc1 ZINC000460825640 982577002 /nfs/dbraw/zinc/57/70/02/982577002.db2.gz YDPZFFBTZRPBDO-UHFFFAOYSA-N 0 2 401.879 3.820 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)cn1 ZINC000460834975 982584874 /nfs/dbraw/zinc/58/48/74/982584874.db2.gz IQMYWHSHFHZMKO-UHFFFAOYSA-N 0 2 417.796 3.752 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NC[C@H](c2ccccc2)C(C)(C)CO)=N1 ZINC000438179415 982635414 /nfs/dbraw/zinc/63/54/14/982635414.db2.gz QCOUFEGOZNWGNV-GOSISDBHSA-N 0 2 411.477 3.558 20 0 HHADLN C[C@@H]1C[C@@]2(CCO1)CN(C(=O)c1cc(Cl)cc(Br)c1O)C[C@H](C)O2 ZINC000438189917 982642448 /nfs/dbraw/zinc/64/24/48/982642448.db2.gz MYPJRXCPXYYTHI-RLFDGXBXSA-N 0 2 418.715 3.607 20 0 HHADLN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1cccc(C)c1Br ZINC000461156944 982865966 /nfs/dbraw/zinc/86/59/66/982865966.db2.gz XOQHPBBNPGZQFX-UHFFFAOYSA-N 0 2 412.231 3.619 20 0 HHADLN COc1cc(OC)cc(-c2cccc(NS(=O)(=O)c3cccc(N(C)C)c3)n2)c1 ZINC000461205546 982919688 /nfs/dbraw/zinc/91/96/88/982919688.db2.gz AIPFFUVDHVXOKN-UHFFFAOYSA-N 0 2 413.499 3.633 20 0 HHADLN Cn1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)c(C2CC2)n1 ZINC000461338377 983027316 /nfs/dbraw/zinc/02/73/16/983027316.db2.gz FVYUTRNIHNTZQG-UHFFFAOYSA-N 0 2 408.680 3.653 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)[C@H]1C[C@]12CCOC2 ZINC000461354820 983034737 /nfs/dbraw/zinc/03/47/37/983034737.db2.gz RVBIJTKASNAITB-YJYMSZOUSA-N 0 2 424.881 3.645 20 0 HHADLN COCCOc1ncccc1NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000438758386 983050257 /nfs/dbraw/zinc/05/02/57/983050257.db2.gz ZNXFUWLMZANPFP-UHFFFAOYSA-N 0 2 421.544 3.815 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)cn1 ZINC000438765287 983056284 /nfs/dbraw/zinc/05/62/84/983056284.db2.gz NGIQPBHCCIOSSF-UHFFFAOYSA-N 0 2 411.405 3.787 20 0 HHADLN O=S(=O)(Nc1cnc(-c2cccc(O)c2)nc1)c1ccc(Br)c(F)c1 ZINC000438780402 983066668 /nfs/dbraw/zinc/06/66/68/983066668.db2.gz XMOODKGWPXUEGP-UHFFFAOYSA-N 0 2 424.251 3.552 20 0 HHADLN COC(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1 ZINC000438790194 983072134 /nfs/dbraw/zinc/07/21/34/983072134.db2.gz CXXKSMVWMVAIKD-UHFFFAOYSA-N 0 2 419.499 3.900 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2OCC(F)(F)F)cs1 ZINC000438792375 983073862 /nfs/dbraw/zinc/07/38/62/983073862.db2.gz ITWVBMCJBHAKNG-UHFFFAOYSA-N 0 2 409.407 3.585 20 0 HHADLN Cc1ccccc1N1CCN(C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)CC1 ZINC000438912280 983149406 /nfs/dbraw/zinc/14/94/06/983149406.db2.gz OGXYRSXXJSCXQI-UHFFFAOYSA-N 0 2 404.514 3.972 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NCc3cccc(C(=O)NC4CC4)c3)=N2)cc1 ZINC000439024103 983216844 /nfs/dbraw/zinc/21/68/44/983216844.db2.gz YPBAOKKMAZSHLQ-UHFFFAOYSA-N 0 2 418.497 3.524 20 0 HHADLN CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000439134313 983266936 /nfs/dbraw/zinc/26/69/36/983266936.db2.gz ANJYPPZHDZWEGC-VIFPVBQESA-N 0 2 404.688 3.612 20 0 HHADLN CO[C@H](C)c1nc(CNC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)cs1 ZINC000439143931 983271232 /nfs/dbraw/zinc/27/12/32/983271232.db2.gz VQQZFGSJOKYGOI-CYBMUJFWSA-N 0 2 400.504 3.795 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)Nc2ccc(OCC3CCCCC3)cc2)s[nH]1 ZINC000439194171 983302516 /nfs/dbraw/zinc/30/25/16/983302516.db2.gz ZNGUTWVHSZMOKU-UHFFFAOYSA-N 0 2 416.547 3.794 20 0 HHADLN COc1ccccc1CCC(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439243280 983327713 /nfs/dbraw/zinc/32/77/13/983327713.db2.gz DCAYBKJBQKLOCM-UHFFFAOYSA-N 0 2 419.254 3.953 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N(Cc2ccccc2F)C2CCCCC2)s[nH]1 ZINC000439652216 983484555 /nfs/dbraw/zinc/48/45/55/983484555.db2.gz VQKUVBMAAZXTHR-UHFFFAOYSA-N 0 2 418.538 3.697 20 0 HHADLN COc1ccc2c(c1)CCN(C(=O)N=c1nc(-c3cccc(Cl)c3)[nH]s1)CC2 ZINC000439663608 983490341 /nfs/dbraw/zinc/49/03/41/983490341.db2.gz CFOUJNGOGVHRSU-UHFFFAOYSA-N 0 2 414.918 3.922 20 0 HHADLN CC(C)c1nnc2n1CCN(C(=O)N=c1nc(-c3cccc(Cl)c3)[nH]s1)[C@@H]2C ZINC000439672678 983494741 /nfs/dbraw/zinc/49/47/41/983494741.db2.gz SEEWWBLMEGCLAK-LLVKDONJSA-N 0 2 417.926 3.604 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cnn2-c2ccccc2)cc1Cl ZINC000439878776 983566683 /nfs/dbraw/zinc/56/66/83/983566683.db2.gz CTJIHXSTZPLADY-UHFFFAOYSA-N 0 2 404.879 3.593 20 0 HHADLN Cc1cnn(-c2ccccc2)c1NS(=O)(=O)c1cc(Br)ccc1F ZINC000439912348 983580757 /nfs/dbraw/zinc/58/07/57/983580757.db2.gz KGEZCHDVKLKPMG-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)c(F)cc1F ZINC000440299008 983710945 /nfs/dbraw/zinc/71/09/45/983710945.db2.gz TWFSTJXPWBJSOI-UHFFFAOYSA-N 0 2 400.834 3.620 20 0 HHADLN O=S(=O)(Nc1cccc(COC2CCCCC2)c1)c1cnn(C2CCOCC2)c1 ZINC000440808495 983915627 /nfs/dbraw/zinc/91/56/27/983915627.db2.gz LVGNPNMHBVPSJG-UHFFFAOYSA-N 0 2 419.547 3.885 20 0 HHADLN Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)cc1 ZINC000440967118 984001993 /nfs/dbraw/zinc/00/19/93/984001993.db2.gz SGXWKNXLWZVUQE-HOCLYGCPSA-N 0 2 400.548 3.504 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OCC(F)(F)F)cc1Cl ZINC000441319150 984179968 /nfs/dbraw/zinc/17/99/68/984179968.db2.gz STNMEHHOXJGDLJ-UHFFFAOYSA-N 0 2 423.796 3.869 20 0 HHADLN CC(C)c1ncc(CN(C)C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cn1 ZINC000441779499 984447414 /nfs/dbraw/zinc/44/74/14/984447414.db2.gz QYNDVLZEORUDOE-UHFFFAOYSA-N 0 2 402.911 3.858 20 0 HHADLN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccc(N2CCOCC2)cn1 ZINC000441826889 984480814 /nfs/dbraw/zinc/48/08/14/984480814.db2.gz REVZNBRHSURQAX-UHFFFAOYSA-N 0 2 423.947 3.896 20 0 HHADLN O=S(=O)(Cc1cncc(C(F)(F)F)c1)c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000461802277 984788812 /nfs/dbraw/zinc/78/88/12/984788812.db2.gz JNFMRQPGBKJTTR-UHFFFAOYSA-N 0 2 402.785 3.513 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000442327632 984829719 /nfs/dbraw/zinc/82/97/19/984829719.db2.gz QDAUGBRQEWIXSH-UHFFFAOYSA-N 0 2 415.471 3.838 20 0 HHADLN O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cc(-c2ccccn2)no1 ZINC000462115886 985085739 /nfs/dbraw/zinc/08/57/39/985085739.db2.gz JNSFNDQRWFERHW-UHFFFAOYSA-N 0 2 407.499 4.308 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(Oc2ncccn2)cc1C ZINC000442810708 985222711 /nfs/dbraw/zinc/22/27/11/985222711.db2.gz BETUCSAKZUSCFU-UHFFFAOYSA-N 0 2 419.484 3.535 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2C)c(OC)c1 ZINC000442817474 985225957 /nfs/dbraw/zinc/22/59/57/985225957.db2.gz MAKAOYGNKXFKSM-UHFFFAOYSA-N 0 2 403.378 3.610 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000442817126 985226326 /nfs/dbraw/zinc/22/63/26/985226326.db2.gz GBWWWHIDGBJEGP-UHFFFAOYSA-N 0 2 424.544 3.937 20 0 HHADLN O=S(=O)(Nc1cccc(OCc2cccnc2)c1)c1cnccc1C(F)(F)F ZINC000442824061 985229717 /nfs/dbraw/zinc/22/97/17/985229717.db2.gz JHBRMMFVZHYBGT-UHFFFAOYSA-N 0 2 409.389 3.875 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000442828675 985232527 /nfs/dbraw/zinc/23/25/27/985232527.db2.gz SGUHVOCJAMEVJE-UHFFFAOYSA-N 0 2 406.485 3.916 20 0 HHADLN O=S(=O)(Nc1ccc(OCC2CCOCC2)cc1)c1cnccc1C(F)(F)F ZINC000442828404 985232739 /nfs/dbraw/zinc/23/27/39/985232739.db2.gz MSPGWEHBQVODDK-UHFFFAOYSA-N 0 2 416.421 3.707 20 0 HHADLN Cn1ccnc1Sc1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442836662 985237581 /nfs/dbraw/zinc/23/75/81/985237581.db2.gz IRGPETCAYJYHLN-UHFFFAOYSA-N 0 2 414.434 3.786 20 0 HHADLN O=S(=O)(Nc1ccc(OC(F)(F)F)cc1O)c1ccccc1OC(F)(F)F ZINC000442840545 985239624 /nfs/dbraw/zinc/23/96/24/985239624.db2.gz LPDTXCMBVFEYMP-UHFFFAOYSA-N 0 2 417.283 3.990 20 0 HHADLN CS[C@H]1CCC[C@@H](NS(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)C1 ZINC000462347047 985336189 /nfs/dbraw/zinc/33/61/89/985336189.db2.gz PFJRTJFAWXOJCS-ZJUUUORDSA-N 0 2 412.911 3.529 20 0 HHADLN O=S(=O)(c1c[nH]c2cccc(F)c21)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000443029363 985343866 /nfs/dbraw/zinc/34/38/66/985343866.db2.gz QXAKLSTVZRDYLE-INIZCTEOSA-N 0 2 411.462 3.618 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cc(-c3ccncc3)nn2C)c(C)cc1Br ZINC000462382064 985365077 /nfs/dbraw/zinc/36/50/77/985365077.db2.gz VLSGMNWTMQCNBE-UHFFFAOYSA-N 0 2 421.320 3.662 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000443130958 985395268 /nfs/dbraw/zinc/39/52/68/985395268.db2.gz INEXTALQTMKTBN-UHFFFAOYSA-N 0 2 408.526 3.691 20 0 HHADLN O=S(=O)(N[C@@]1(C(F)(F)F)CCc2ccccc21)c1cnccc1C(F)(F)F ZINC000443150160 985408885 /nfs/dbraw/zinc/40/88/85/985408885.db2.gz ZRJLOXTVMVQQAM-AWEZNQCLSA-N 0 2 410.339 3.783 20 0 HHADLN CC1CCN(Cc2csc(NS(=O)(=O)c3cnccc3C(F)(F)F)n2)CC1 ZINC000443151339 985409881 /nfs/dbraw/zinc/40/98/81/985409881.db2.gz HYMSPHSASLBWHO-UHFFFAOYSA-N 0 2 420.482 3.590 20 0 HHADLN O=C(NCc1ccncc1OCC(F)F)c1cc(Cl)cc(Br)c1O ZINC000443395552 985550019 /nfs/dbraw/zinc/55/00/19/985550019.db2.gz WAVCXTCRDDRSJY-UHFFFAOYSA-N 0 2 421.625 3.777 20 0 HHADLN COc1cc(NS(=O)(=O)c2cccc3c2OC(C)(C)C3)c(OC)c(C)c1OC ZINC000443409690 985565799 /nfs/dbraw/zinc/56/57/99/985565799.db2.gz LKPVLVBSTBQUDT-UHFFFAOYSA-N 0 2 407.488 3.535 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cnccc2-n2cc(C)cn2)c(Cl)c1Cl ZINC000443419768 985576471 /nfs/dbraw/zinc/57/64/71/985576471.db2.gz SEWBWPSPBABBNX-UHFFFAOYSA-N 0 2 413.286 3.692 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(Br)c(F)cc2F)c(C)c(OC)c1 ZINC000443421857 985579053 /nfs/dbraw/zinc/57/90/53/985579053.db2.gz YGFTTZPCMHMGGN-UHFFFAOYSA-N 0 2 422.247 3.854 20 0 HHADLN O=S(=O)(Nc1ccccc1-n1ccnn1)c1ccc(C(F)(F)F)cc1Cl ZINC000443453432 985621502 /nfs/dbraw/zinc/62/15/02/985621502.db2.gz MCDYLFZNEMFOOO-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN O=S(=O)(Nc1ccc(OC2CCCC2)c(Cl)c1)c1cnn([C@H]2CCOC2)c1 ZINC000443456194 985625150 /nfs/dbraw/zinc/62/51/50/985625150.db2.gz SIYYTMLHDABFBZ-AWEZNQCLSA-N 0 2 411.911 3.620 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2ccc(C(F)F)cc2)c(F)c1Cl ZINC000462691634 985632129 /nfs/dbraw/zinc/63/21/29/985632129.db2.gz UFKDBDOMSKJNGB-UHFFFAOYSA-N 0 2 424.803 3.993 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1cccc2ccsc21 ZINC000467988569 985634714 /nfs/dbraw/zinc/63/47/14/985634714.db2.gz OLZDWKPPIMLKDH-UHFFFAOYSA-N 0 2 416.509 3.806 20 0 HHADLN O=S(=O)(Nc1cccc(CCCc2ccccc2)c1)c1cnn([C@@H]2CCOC2)c1 ZINC000443461076 985634966 /nfs/dbraw/zinc/63/49/66/985634966.db2.gz NVBWEWHXRYBBKB-OAQYLSRUSA-N 0 2 411.527 3.821 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)c(F)c1Cl ZINC000462707447 985651211 /nfs/dbraw/zinc/65/12/11/985651211.db2.gz YSZNRKIMMXHUCM-QJPTWQEYSA-N 0 2 406.882 3.824 20 0 HHADLN C[C@@H](Nc1ccccc1NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)c1ccccc1 ZINC000443530698 985702968 /nfs/dbraw/zinc/70/29/68/985702968.db2.gz OHPQOSUVJFFXDH-AEFFLSMTSA-N 0 2 412.515 3.818 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)c(F)c(F)c1 ZINC000468358667 986056077 /nfs/dbraw/zinc/05/60/77/986056077.db2.gz OOIUCHQAFCLPKS-SECBINFHSA-N 0 2 409.813 3.972 20 0 HHADLN COc1ccc([C@H]2[C@H](C(=O)Nc3cc(Cl)c(O)c(Cl)c3)CC(=O)N2C)cc1 ZINC000463107149 986068259 /nfs/dbraw/zinc/06/82/59/986068259.db2.gz LIBRSIDLCPNFBA-DYVFJYSZSA-N 0 2 409.269 3.866 20 0 HHADLN O=C(CCn1cc(Br)ccc1=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000463111915 986074477 /nfs/dbraw/zinc/07/44/77/986074477.db2.gz RTBRQWXCHZNJRE-UHFFFAOYSA-N 0 2 406.063 3.652 20 0 HHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000463116198 986080453 /nfs/dbraw/zinc/08/04/53/986080453.db2.gz OXPHBEJXHFRLBO-SNVBAGLBSA-N 0 2 401.196 3.969 20 0 HHADLN Brc1ccc2nc(C[N@@H+]3CCC[C@@H](c4nc(C5CC5)n[nH]4)C3)oc2c1 ZINC000463150944 986121731 /nfs/dbraw/zinc/12/17/31/986121731.db2.gz NSJNTTHQUHZBRL-GFCCVEGCSA-N 0 2 402.296 3.965 20 0 HHADLN CC(C)(C)OC(=O)CSCC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463163640 986135088 /nfs/dbraw/zinc/13/50/88/986135088.db2.gz SJGSDQMUNCTYAB-UHFFFAOYSA-N 0 2 417.318 3.792 20 0 HHADLN Cc1c(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cnn1C1CCOCC1 ZINC000463174793 986146730 /nfs/dbraw/zinc/14/67/30/986146730.db2.gz XIEYTUPAQCEPEB-UHFFFAOYSA-N 0 2 421.288 3.887 20 0 HHADLN CCCc1csc(NS(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)n1 ZINC000444045587 986242888 /nfs/dbraw/zinc/24/28/88/986242888.db2.gz ABYUAWIYLLTYAO-UHFFFAOYSA-N 0 2 418.338 3.617 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3cc(Br)ccc3F)o2)c(C)o1 ZINC000444064788 986266781 /nfs/dbraw/zinc/26/67/81/986266781.db2.gz MBNPEJLNFPYBBT-UHFFFAOYSA-N 0 2 416.228 3.649 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3cc(C)cc(Br)c3)o2)c(C)o1 ZINC000444067261 986269643 /nfs/dbraw/zinc/26/96/43/986269643.db2.gz ZNQZXEDHHLFOTE-UHFFFAOYSA-N 0 2 412.265 3.818 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3cc(Br)sc3C)o2)c(C)o1 ZINC000463382704 986350180 /nfs/dbraw/zinc/35/01/80/986350180.db2.gz UAAFTEMKLUCBKK-UHFFFAOYSA-N 0 2 418.294 3.880 20 0 HHADLN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2cc(Cl)c(C)c(Cl)c2)s1 ZINC000444196927 986375015 /nfs/dbraw/zinc/37/50/15/986375015.db2.gz QQJVWZFOCYHDNU-UHFFFAOYSA-N 0 2 404.304 3.653 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(Cc2cc[nH]n2)Cc2ccccc2)=N1 ZINC000468698981 986411801 /nfs/dbraw/zinc/41/18/01/986411801.db2.gz RCWJUCUVQVBDSE-UHFFFAOYSA-N 0 2 405.433 3.591 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C)=N1 ZINC000468698861 986411909 /nfs/dbraw/zinc/41/19/09/986411909.db2.gz COIBBWNOHKQNJJ-LJQANCHMSA-N 0 2 419.460 3.889 20 0 HHADLN CC(C)[C@H](CNC(=O)NCc1nnc(COc2ccccc2)[nH]1)Cc1ccccc1 ZINC000468748297 986461367 /nfs/dbraw/zinc/46/13/67/986461367.db2.gz PKUKGRQYWDZMTN-IBGZPJMESA-N 0 2 407.518 3.698 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)ccc1F ZINC000468764751 986478301 /nfs/dbraw/zinc/47/83/01/986478301.db2.gz AQOMMGRDXAXYIP-UHFFFAOYSA-N 0 2 400.431 3.632 20 0 HHADLN Cc1cnn(Cc2ccccc2F)c1NS(=O)(=O)c1cnc2ccsc2c1 ZINC000468847645 986558517 /nfs/dbraw/zinc/55/85/17/986558517.db2.gz FYSJGVMUGGWFQK-UHFFFAOYSA-N 0 2 402.476 3.789 20 0 HHADLN Cc1ccc(-c2cnc(NS(=O)(=O)c3cccc(S(C)(=O)=O)c3)s2)c(C)c1 ZINC000468917787 986624398 /nfs/dbraw/zinc/62/43/98/986624398.db2.gz KUIMNCJAIDNJMN-UHFFFAOYSA-N 0 2 422.553 3.631 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000468990254 986696152 /nfs/dbraw/zinc/69/61/52/986696152.db2.gz OYNVIZCVHVCNOW-CYBMUJFWSA-N 0 2 421.906 3.945 20 0 HHADLN Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000463784008 986774257 /nfs/dbraw/zinc/77/42/57/986774257.db2.gz RQXYWRQMIGVPNY-UHFFFAOYSA-N 0 2 406.847 3.875 20 0 HHADLN CCc1[nH]c(-c2ccc(Cl)cc2)nc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000444815087 986969009 /nfs/dbraw/zinc/96/90/09/986969009.db2.gz FBQBGWSFVIQSTJ-UHFFFAOYSA-N 0 2 410.890 3.880 20 0 HHADLN Cn1cc[nH+]c1[C@H]1CCCN(C(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)C1 ZINC000445178965 987261858 /nfs/dbraw/zinc/26/18/58/987261858.db2.gz VBAPVDCXUVHGFH-NSHDSACASA-N 0 2 420.901 3.565 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(-c3ccc(O)c(F)c3)no2)cc1 ZINC000445484564 987544640 /nfs/dbraw/zinc/54/46/40/987544640.db2.gz XIDGYNGQTIJECZ-UHFFFAOYSA-N 0 2 418.431 3.506 20 0 HHADLN CC(C)C[C@H](C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCCCC1=O ZINC000445783626 987846596 /nfs/dbraw/zinc/84/65/96/987846596.db2.gz PMKJAYJAQBWYSK-OAHLLOKOSA-N 0 2 406.939 3.646 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccccc2O[C@@H]2CCOC2)c(Br)c1 ZINC000470449152 988427816 /nfs/dbraw/zinc/42/78/16/988427816.db2.gz XVHDDZWAIFHCLA-CYBMUJFWSA-N 0 2 412.305 3.726 20 0 HHADLN Cc1cc(F)cc(S(=O)(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2)c1 ZINC000464425606 988597053 /nfs/dbraw/zinc/59/70/53/988597053.db2.gz HYWIJPHZIXFTSZ-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[C@H](c3c(F)cccc3F)C2)=N1 ZINC000470585724 988597971 /nfs/dbraw/zinc/59/79/71/988597971.db2.gz ZKXQUQZSVNEBFE-ZDUSSCGKSA-N 0 2 401.388 3.933 20 0 HHADLN CCSc1cccc(Br)c1NC(=O)c1ccc(S(C)(=O)=O)o1 ZINC000464715086 988928697 /nfs/dbraw/zinc/92/86/97/988928697.db2.gz XFGPKZDNTJZAFH-UHFFFAOYSA-N 0 2 404.307 3.810 20 0 HHADLN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2ccccc2SC(C)C)c1 ZINC000471117673 989222245 /nfs/dbraw/zinc/22/22/45/989222245.db2.gz WQBVQIONIPDACC-UHFFFAOYSA-N 0 2 423.512 3.561 20 0 HHADLN Cc1ccc2c(n1)[nH]cc(C(=O)N(C)CCOc1ccc(C(F)(F)F)cc1)c2=O ZINC000471451600 989637392 /nfs/dbraw/zinc/63/73/92/989637392.db2.gz LFKKGGUSIFWTMA-UHFFFAOYSA-N 0 2 405.376 3.814 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3ccco3)s2)c(Cl)c1Cl ZINC000471502826 989700699 /nfs/dbraw/zinc/70/06/99/989700699.db2.gz ITLSYFWFDKESNC-UHFFFAOYSA-N 0 2 406.272 3.914 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccco2)s1)c1ccc(Br)c(F)c1 ZINC000471504065 989701629 /nfs/dbraw/zinc/70/16/29/989701629.db2.gz QUSKIHRMGZZSDT-UHFFFAOYSA-N 0 2 404.242 3.501 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2cccc3c2OCCO3)s1)c1ccccc1 ZINC000471511349 989710610 /nfs/dbraw/zinc/71/06/10/989710610.db2.gz HLLHXNJCAAQTBA-AWEZNQCLSA-N 0 2 417.512 3.652 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3c(C)cc(C)cc3C)s2)c1 ZINC000471511426 989710707 /nfs/dbraw/zinc/71/07/07/989710707.db2.gz IGXFXGQJYMFWJO-UHFFFAOYSA-N 0 2 403.529 3.864 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1ccc(F)c(Br)c1 ZINC000471516833 989715990 /nfs/dbraw/zinc/71/59/90/989715990.db2.gz TWPKCPXAIBNSJF-UHFFFAOYSA-N 0 2 420.310 3.969 20 0 HHADLN Cc1ccc(Cc2nnc(NS(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)s2)cc1 ZINC000471516940 989716088 /nfs/dbraw/zinc/71/60/88/989716088.db2.gz VINGZSOLEPDRPM-ZDUSSCGKSA-N 0 2 401.513 3.562 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3cccc(Cl)c3F)s2)c1 ZINC000471517508 989716828 /nfs/dbraw/zinc/71/68/28/989716828.db2.gz CNBDGEFOKPGVQQ-UHFFFAOYSA-N 0 2 413.883 3.731 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(CC3CCCCC3)n[nH]2)cc1Cl ZINC000471521335 989721215 /nfs/dbraw/zinc/72/12/15/989721215.db2.gz IWIISLSQSYNFJB-UHFFFAOYSA-N 0 2 410.927 3.945 20 0 HHADLN CCn1nc(C)c(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)c1C ZINC000471592486 989796510 /nfs/dbraw/zinc/79/65/10/989796510.db2.gz DVWISFXPVQYGSC-UHFFFAOYSA-N 0 2 410.696 3.876 20 0 HHADLN CC(C)Cn1cc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)cn1 ZINC000471612094 989816470 /nfs/dbraw/zinc/81/64/70/989816470.db2.gz FCCADZQUWJTGKA-UHFFFAOYSA-N 0 2 410.696 3.895 20 0 HHADLN O=S(=O)(Nc1ccc2nccnc2c1)c1cc(Cl)c(Br)cc1F ZINC000471623446 989830119 /nfs/dbraw/zinc/83/01/19/989830119.db2.gz ANNLXGQLIZWHAU-UHFFFAOYSA-N 0 2 416.659 3.986 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(Cl)cc1-n1cccn1 ZINC000471902967 990072914 /nfs/dbraw/zinc/07/29/14/990072914.db2.gz PCUQWOVWANDKBT-UHFFFAOYSA-N 0 2 423.864 3.545 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000466345178 991602743 /nfs/dbraw/zinc/60/27/43/991602743.db2.gz DNOAVIKXRVRGSQ-UHFFFAOYSA-N 0 2 420.393 3.740 20 0 HHADLN COCCc1ccccc1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000466423733 991714268 /nfs/dbraw/zinc/71/42/68/991714268.db2.gz SGOGZXWALJHYEN-UHFFFAOYSA-N 0 2 406.248 3.717 20 0 HHADLN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2nc3ccc(Br)cn3n2)cc1 ZINC000466969805 992281886 /nfs/dbraw/zinc/28/18/86/992281886.db2.gz TYZNUVLCSLGOLV-LLVKDONJSA-N 0 2 409.309 3.806 20 0 HHADLN O=S(=O)(Nc1nccc2sccc21)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000467014185 992321160 /nfs/dbraw/zinc/32/11/60/992321160.db2.gz NLYFWOQUWTYRHI-GFCCVEGCSA-N 0 2 408.476 3.652 20 0 HHADLN CCn1c2ccc(S(=O)(=O)Nc3ccc4c(Cl)ccc(C)c4n3)cc2oc1=O ZINC000467024386 992332214 /nfs/dbraw/zinc/33/22/14/992332214.db2.gz SWCWQWPQYKNNNQ-UHFFFAOYSA-N 0 2 417.874 3.925 20 0 HHADLN Cc1cc(C)n(-c2ccccc2NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)n1 ZINC000467105034 992414334 /nfs/dbraw/zinc/41/43/34/992414334.db2.gz DIZMWQKTPMMIRN-UHFFFAOYSA-N 0 2 408.487 3.863 20 0 HHADLN CSc1cc2c(cc1NC(=O)N(C)Cc1nc(=O)c3sccc3[nH]1)OCCO2 ZINC000467170351 992489347 /nfs/dbraw/zinc/48/93/47/992489347.db2.gz PEPZARWFHQMHIH-UHFFFAOYSA-N 0 2 418.500 3.554 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)NCc2cc3cc(Br)ccc3[nH]2)s[nH]1 ZINC000467360960 992679831 /nfs/dbraw/zinc/67/98/31/992679831.db2.gz XMVRBILDNPZDIO-UHFFFAOYSA-N 0 2 408.325 3.823 20 0 HHADLN CC(C)n1cnnc1-c1ccccc1NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000467374001 992691641 /nfs/dbraw/zinc/69/16/41/992691641.db2.gz RVZDUSZLRHEKRM-UHFFFAOYSA-N 0 2 423.502 3.900 20 0 HHADLN CC(=O)Nc1ccc(NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c(Cl)c1 ZINC000467383787 992698882 /nfs/dbraw/zinc/69/88/82/992698882.db2.gz UTKQYAHMTBJDQZ-UHFFFAOYSA-N 0 2 405.867 3.673 20 0 HHADLN Cc1cc(-c2noc([C@@H](C)NC(=O)C3=NN(c4ccccc4)CC3=O)n2)ccc1F ZINC000472386264 993381823 /nfs/dbraw/zinc/38/18/23/993381823.db2.gz VXGLOSFKDOKJKX-CYBMUJFWSA-N 0 2 407.405 3.566 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)ccc1OC(C)C ZINC000481028615 993873599 /nfs/dbraw/zinc/87/35/99/993873599.db2.gz ZTKGTWMUFNZWFA-UHFFFAOYSA-N 0 2 420.922 3.876 20 0 HHADLN Cc1cnc2c(cccc2S(=O)(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)c1 ZINC000481073934 993912762 /nfs/dbraw/zinc/91/27/62/993912762.db2.gz PWEAGOYLVCXQPU-UHFFFAOYSA-N 0 2 413.890 3.637 20 0 HHADLN O=S(=O)(N[C@@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1c(F)cccc1F ZINC000481463651 994298507 /nfs/dbraw/zinc/29/85/07/994298507.db2.gz HUDBJRAILCFUKQ-ZDUSSCGKSA-N 0 2 415.767 3.649 20 0 HHADLN Cn1nc(CCNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c2ccccc21 ZINC000481486048 994319396 /nfs/dbraw/zinc/31/93/96/994319396.db2.gz XKUAUGJFPJZLNJ-UHFFFAOYSA-N 0 2 412.906 3.531 20 0 HHADLN NC(=O)CCSc1ccccc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473479771 994323384 /nfs/dbraw/zinc/32/33/84/994323384.db2.gz KPYUYYTVFRTQRG-UHFFFAOYSA-N 0 2 423.318 3.901 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(OCC(F)(F)F)cc1 ZINC000473505668 994354680 /nfs/dbraw/zinc/35/46/80/994354680.db2.gz RVMIEDONJPCANX-UHFFFAOYSA-N 0 2 421.379 3.647 20 0 HHADLN CC(C)c1cccc2c1CCN(C(=O)NCc1nnc(COc3ccccc3)[nH]1)C2 ZINC000473554053 994417046 /nfs/dbraw/zinc/41/70/46/994417046.db2.gz QBRSKYKZTLIKAX-UHFFFAOYSA-N 0 2 405.502 3.775 20 0 HHADLN C[C@@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1cc2cccc(F)c2o1 ZINC000473557381 994421612 /nfs/dbraw/zinc/42/16/12/994421612.db2.gz WZQGENUEJKUMLO-CYBMUJFWSA-N 0 2 409.421 3.829 20 0 HHADLN Cc1coc(-c2ccc(C)c(NC(=O)NCc3nnc(COc4ccccc4)[nH]3)c2)n1 ZINC000473709523 994600989 /nfs/dbraw/zinc/60/09/89/994600989.db2.gz AYTVMRJMGDJPEM-UHFFFAOYSA-N 0 2 418.457 3.977 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)c(Br)c1 ZINC000481831789 994682820 /nfs/dbraw/zinc/68/28/20/994682820.db2.gz MUBUVWGFTKPQPM-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN O=S(=O)(Nc1ncc(C(F)(F)F)s1)c1cc(F)ccc1Br ZINC000473767183 994684675 /nfs/dbraw/zinc/68/46/75/994684675.db2.gz QKXBOOZZUBQJMV-UHFFFAOYSA-N 0 2 405.192 3.864 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(-c3cc(F)ccc3C)s2)cc1 ZINC000481842047 994696848 /nfs/dbraw/zinc/69/68/48/994696848.db2.gz CASLDKABWDRMJI-UHFFFAOYSA-N 0 2 420.491 3.802 20 0 HHADLN Cc1cc2c(cc1S(=O)(=O)Nc1nnc(Cc3ccc4ccccc4c3)o1)OCO2 ZINC000481848908 994704769 /nfs/dbraw/zinc/70/47/69/994704769.db2.gz PQPCYHGZZKSZDD-UHFFFAOYSA-N 0 2 423.450 3.652 20 0 HHADLN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1nnc(-c2cccs2)o1 ZINC000481850259 994706793 /nfs/dbraw/zinc/70/67/93/994706793.db2.gz VPTQLHOMQMMJBS-UHFFFAOYSA-N 0 2 414.306 3.978 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2nnc(-c3cc(F)ccc3C)s2)ccc1F ZINC000481858268 994715938 /nfs/dbraw/zinc/71/59/38/994715938.db2.gz LVWLLFIPILCGMT-UHFFFAOYSA-N 0 2 424.454 3.551 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(-c3cc(F)ccc3C)s2)cc1OC ZINC000481859142 994717684 /nfs/dbraw/zinc/71/76/84/994717684.db2.gz OGYMBZRIIJWVCR-UHFFFAOYSA-N 0 2 423.491 3.779 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)o2)c1 ZINC000481865041 994726113 /nfs/dbraw/zinc/72/61/13/994726113.db2.gz HITSUYATUMHKDP-UHFFFAOYSA-N 0 2 414.270 3.777 20 0 HHADLN Cc1cc2sc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)nc2cc1F ZINC000481866863 994728081 /nfs/dbraw/zinc/72/80/81/994728081.db2.gz ANSIMWBJIAKMBI-UHFFFAOYSA-N 0 2 406.439 3.869 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc2cc(F)c(C)cc2s1 ZINC000481872023 994735903 /nfs/dbraw/zinc/73/59/03/994735903.db2.gz TXSJQQAEQCVGRR-UHFFFAOYSA-N 0 2 414.455 3.709 20 0 HHADLN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1OC ZINC000481875584 994740492 /nfs/dbraw/zinc/74/04/92/994740492.db2.gz PIUHZXJGFFDECI-UHFFFAOYSA-N 0 2 419.330 3.873 20 0 HHADLN COc1cc(Cl)c(S(=O)(=O)[N-]c2ccc(C[NH+](C)C)c(Cl)c2)cc1OC ZINC000481875584 994740500 /nfs/dbraw/zinc/74/05/00/994740500.db2.gz PIUHZXJGFFDECI-UHFFFAOYSA-N 0 2 419.330 3.873 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3ccc(OC(C)C)c(C)c3)o2)c1 ZINC000481877525 994742390 /nfs/dbraw/zinc/74/23/90/994742390.db2.gz YSYAQAROJJQFCY-UHFFFAOYSA-N 0 2 417.487 3.565 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2cccc3ncccc32)nc1)c1ccccc1 ZINC000481889580 994757852 /nfs/dbraw/zinc/75/78/52/994757852.db2.gz LZZZNYYNBHDQKN-UHFFFAOYSA-N 0 2 404.451 3.683 20 0 HHADLN Cc1ccc2cccnc2c1S(=O)(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000481963851 994852571 /nfs/dbraw/zinc/85/25/71/994852571.db2.gz NPBZEPJGAMQZAJ-UHFFFAOYSA-N 0 2 413.480 3.725 20 0 HHADLN O=C(NCCc1cccc2ccccc21)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473900859 994859746 /nfs/dbraw/zinc/85/97/46/994859746.db2.gz IXDYSUDKQVSGPK-UHFFFAOYSA-N 0 2 401.470 3.579 20 0 HHADLN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473915821 994883330 /nfs/dbraw/zinc/88/33/30/994883330.db2.gz XBKLUMGOSKOPSP-KRWDZBQOSA-N 0 2 407.518 3.939 20 0 HHADLN O=S(=O)(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc2c(c1)OCO2 ZINC000481986503 994884823 /nfs/dbraw/zinc/88/48/23/994884823.db2.gz TZZJDPMUCHKBKH-UHFFFAOYSA-N 0 2 408.888 3.917 20 0 HHADLN O=S(=O)(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1ccc2c(c1)OCO2 ZINC000481990341 994890625 /nfs/dbraw/zinc/89/06/25/994890625.db2.gz PWTUBILMPDBDRM-UHFFFAOYSA-N 0 2 410.423 3.542 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000473951987 994929494 /nfs/dbraw/zinc/92/94/94/994929494.db2.gz VATJNPONEABFGW-FPOVZHCZSA-N 0 2 419.529 3.984 20 0 HHADLN C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474001551 994990832 /nfs/dbraw/zinc/99/08/32/994990832.db2.gz SDQZFYVXGYOROA-OPAMFIHVSA-N 0 2 405.502 3.897 20 0 HHADLN CC(C)c1ccc(C[C@H](C)NC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000474020030 995011195 /nfs/dbraw/zinc/01/11/95/995011195.db2.gz JFWYOPSQRNIZSC-KRWDZBQOSA-N 0 2 407.518 3.938 20 0 HHADLN CC(C)[C@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc(F)cc1F ZINC000474040262 995030381 /nfs/dbraw/zinc/03/03/81/995030381.db2.gz ZZKZXWGYRFDPNU-FQEVSTJZSA-N 0 2 415.444 3.858 20 0 HHADLN CC(C)[C@@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc(F)cc1F ZINC000474040265 995030439 /nfs/dbraw/zinc/03/04/39/995030439.db2.gz ZZKZXWGYRFDPNU-HXUWFJFHSA-N 0 2 415.444 3.858 20 0 HHADLN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474056671 995044945 /nfs/dbraw/zinc/04/49/45/995044945.db2.gz ROOXQVCNSXNEGI-SZNDQCEHSA-N 0 2 409.465 3.646 20 0 HHADLN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2nnc(COc3ccccc3)[nH]2)o1 ZINC000474079019 995063950 /nfs/dbraw/zinc/06/39/50/995063950.db2.gz CNMUXLCMOCPVFE-QAPCUYQASA-N 0 2 409.490 3.968 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000474082035 995066209 /nfs/dbraw/zinc/06/62/09/995066209.db2.gz KVIFWGZKTYHSSO-LJQANCHMSA-N 0 2 405.502 3.863 20 0 HHADLN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474083062 995067528 /nfs/dbraw/zinc/06/75/28/995067528.db2.gz OAPIEAYOVXDWOD-ZDUSSCGKSA-N 0 2 401.417 3.565 20 0 HHADLN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1 ZINC000474087640 995070219 /nfs/dbraw/zinc/07/02/19/995070219.db2.gz KDWFIUAUAJVFPX-QZTJIDSGSA-N 0 2 405.502 3.780 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCCC[C@@H]1Cc1ccccc1 ZINC000474096603 995078113 /nfs/dbraw/zinc/07/81/13/995078113.db2.gz PMETYVYPZPROMT-LJQANCHMSA-N 0 2 405.502 3.691 20 0 HHADLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3nnc(-c4ccccc4)s3)cc(Cl)c2O1 ZINC000474411573 995377826 /nfs/dbraw/zinc/37/78/26/995377826.db2.gz GUILHPPLDKZEHU-SNVBAGLBSA-N 0 2 407.904 3.983 20 0 HHADLN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1nnc(-c2ccccn2)s1 ZINC000474432575 995395119 /nfs/dbraw/zinc/39/51/19/995395119.db2.gz LZMKYBNUPQRDMG-UHFFFAOYSA-N 0 2 400.407 3.728 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cccnc1Nc1ccccc1F ZINC000474571997 995533735 /nfs/dbraw/zinc/53/37/35/995533735.db2.gz DDAXLVPSGKDCSF-UHFFFAOYSA-N 0 2 418.432 3.591 20 0 HHADLN Cc1ccccc1-c1nc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)cs1 ZINC000474572023 995534072 /nfs/dbraw/zinc/53/40/72/995534072.db2.gz DNEHLZNOWQRVSN-UHFFFAOYSA-N 0 2 405.483 3.746 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cc(Oc2ccccc2)ccn1 ZINC000474574152 995536383 /nfs/dbraw/zinc/53/63/83/995536383.db2.gz CJHHEXQHMFYPLF-UHFFFAOYSA-N 0 2 401.426 3.501 20 0 HHADLN O=C(CCOc1ccc(Cl)cc1Cl)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474574571 995536414 /nfs/dbraw/zinc/53/64/14/995536414.db2.gz JIZUOTLVIJFFGG-UHFFFAOYSA-N 0 2 421.284 3.776 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cccc(OCc2cccs2)c1 ZINC000474583332 995542923 /nfs/dbraw/zinc/54/29/23/995542923.db2.gz YZHWCYOWTCFQHX-UHFFFAOYSA-N 0 2 420.494 3.954 20 0 HHADLN O=C(CCOc1ccc(Cl)c(Cl)c1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474585503 995545123 /nfs/dbraw/zinc/54/51/23/995545123.db2.gz JEKBQVYPUBKFNY-UHFFFAOYSA-N 0 2 421.284 3.776 20 0 HHADLN O=C(CCC(=O)c1ccc2ccccc2c1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474589537 995548034 /nfs/dbraw/zinc/54/80/34/995548034.db2.gz MBLJJANPGIAYKW-UHFFFAOYSA-N 0 2 414.465 3.816 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccc(C(F)(F)F)cc1Cl ZINC000474589093 995548069 /nfs/dbraw/zinc/54/80/69/995548069.db2.gz ICTPNNRERLUYSP-UHFFFAOYSA-N 0 2 410.783 3.986 20 0 HHADLN C[C@@H]1C[C@H](C)[C@H](C)N(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000474723045 995659233 /nfs/dbraw/zinc/65/92/33/995659233.db2.gz NQLVSZTYQVIIEU-RDBSUJKOSA-N 0 2 408.549 3.842 20 0 HHADLN O=C(NCc1n[nH]c(=O)[nH]1)Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1 ZINC000474743066 995676025 /nfs/dbraw/zinc/67/60/25/995676025.db2.gz YIHYLFKPDUFCED-UHFFFAOYSA-N 0 2 411.315 3.782 20 0 HHADLN C[C@@H]1CCC[C@@H](CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)[C@@H]1C ZINC000482696717 995687578 /nfs/dbraw/zinc/68/75/78/995687578.db2.gz RQEUWZVEMKDGKU-FMKPAKJESA-N 0 2 407.561 3.746 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1cc(=O)[nH]c(C2CC2)c1 ZINC000474882925 995776088 /nfs/dbraw/zinc/77/60/88/995776088.db2.gz NDNLRJLMHIUVQQ-UHFFFAOYSA-N 0 2 418.226 3.604 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC(Nc3nc(C)cs3)CC2)=N1 ZINC000474980036 995842654 /nfs/dbraw/zinc/84/26/54/995842654.db2.gz YESDSEBQTIYJPA-UHFFFAOYSA-N 0 2 411.531 3.622 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@H](c1cccc(F)c1)c1ccccn1 ZINC000483239530 996054641 /nfs/dbraw/zinc/05/46/41/996054641.db2.gz YGYVRWLOMKVHRP-GOSISDBHSA-N 0 2 423.473 3.862 20 0 HHADLN CCCNC(=O)c1ccc(NS(=O)(=O)c2cc(F)c(C)cc2F)cc1Cl ZINC000475741603 996340217 /nfs/dbraw/zinc/34/02/17/996340217.db2.gz YXVHXPVRQZFPBC-UHFFFAOYSA-N 0 2 402.850 3.867 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cnn(C3CCCC3)c2C)c(Br)c1 ZINC000475821813 996393557 /nfs/dbraw/zinc/39/35/57/996393557.db2.gz PQXMIABWXDNXAO-UHFFFAOYSA-N 0 2 414.325 3.879 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(-c2cccnc2)ccc1C ZINC000475825982 996395613 /nfs/dbraw/zinc/39/56/13/996395613.db2.gz HLNVMNPOYFMMKA-UHFFFAOYSA-N 0 2 400.431 3.784 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3C[C@]3(C)C(C)C)cc2)nc(C)n1 ZINC000483896054 996455087 /nfs/dbraw/zinc/45/50/87/996455087.db2.gz JUTVKFXHIUWRDX-YLJYHZDGSA-N 0 2 402.520 3.515 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2cnn([C@@H](C)CC)c2C2CC2)c1 ZINC000484070937 996553412 /nfs/dbraw/zinc/55/34/12/996553412.db2.gz HMRVLIXEQIWVTQ-LBPRGKRZSA-N 0 2 409.483 3.848 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(C)C)c1 ZINC000484084129 996561113 /nfs/dbraw/zinc/56/11/13/996561113.db2.gz WIPLDMKVWMCNJM-UHFFFAOYSA-N 0 2 411.499 3.779 20 0 HHADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1ccc(F)cc1OC(C)C ZINC000484107933 996574305 /nfs/dbraw/zinc/57/43/05/996574305.db2.gz MRGWTFCKTUDZHO-UHFFFAOYSA-N 0 2 422.478 3.771 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Nc2ccc(F)cc2F)cn1 ZINC000484115693 996578537 /nfs/dbraw/zinc/57/85/37/996578537.db2.gz YPHLSUSCVOYYIP-UHFFFAOYSA-N 0 2 419.409 3.691 20 0 HHADLN CCOCCOc1ccc(Br)cc1NS(=O)(=O)c1cc(C)oc1C ZINC000484224943 996645100 /nfs/dbraw/zinc/64/51/00/996645100.db2.gz WXBGIAMCABCCLF-UHFFFAOYSA-N 0 2 418.309 3.875 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3nsc(-c4ccccc4)n3)cc2F)c1 ZINC000476202860 996674994 /nfs/dbraw/zinc/67/49/94/996674994.db2.gz SHOVSDJPVXCYCP-UHFFFAOYSA-N 0 2 415.475 3.639 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)c(C)n1 ZINC000476204056 996675588 /nfs/dbraw/zinc/67/55/88/996675588.db2.gz TYEVLTXLLQRZNJ-UHFFFAOYSA-N 0 2 409.664 3.754 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cnc4onc(C(C)(C)C)c4c3)s[nH]2)c1 ZINC000476285334 996731183 /nfs/dbraw/zinc/73/11/83/996731183.db2.gz KMFJMUNXSDOTDH-UHFFFAOYSA-N 0 2 409.471 3.722 20 0 HHADLN CC[C@H](C)n1ncc2c1nc(C)cc2C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000476319229 996753564 /nfs/dbraw/zinc/75/35/64/996753564.db2.gz SCTLEZBXIQPECQ-ZDUSSCGKSA-N 0 2 422.514 3.912 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(-c2ccncc2)ccc1C ZINC000484489776 996812506 /nfs/dbraw/zinc/81/25/06/996812506.db2.gz OSEHSELLKZWVKB-UHFFFAOYSA-N 0 2 400.456 3.800 20 0 HHADLN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476423514 996890301 /nfs/dbraw/zinc/89/03/01/996890301.db2.gz BQPMNNVSVKSIKB-UNEWFSDZSA-N 0 2 405.545 3.737 20 0 HHADLN CCCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476424019 996890906 /nfs/dbraw/zinc/89/09/06/996890906.db2.gz FBSFKIDERCJFMZ-UHFFFAOYSA-N 0 2 415.540 3.996 20 0 HHADLN CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476428945 996898253 /nfs/dbraw/zinc/89/82/53/996898253.db2.gz LLSBWWGAICZVME-UHFFFAOYSA-N 0 2 407.542 3.668 20 0 HHADLN CC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Br)c2O)cc1 ZINC000484609191 996942319 /nfs/dbraw/zinc/94/23/19/996942319.db2.gz VCJUNSDFJCZXPM-UHFFFAOYSA-N 0 2 404.669 3.812 20 0 HHADLN CCOc1cc(C(=O)N2CCC[C@H]2CCc2ccccc2)ccc1OCC(=O)OC ZINC000484709963 997049082 /nfs/dbraw/zinc/04/90/82/997049082.db2.gz ROCRCHKJLSEHHJ-FQEVSTJZSA-N 0 2 411.498 3.875 20 0 HHADLN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CCCc4cn[nH]c43)c2)c1 ZINC000484729371 997071386 /nfs/dbraw/zinc/07/13/86/997071386.db2.gz QTZBRIGITRMUCE-FQEVSTJZSA-N 0 2 424.526 3.635 20 0 HHADLN C[C@H](c1ccccc1)[C@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476682251 997222037 /nfs/dbraw/zinc/22/20/37/997222037.db2.gz BAFBYTMHJWJIQK-GJZGRUSLSA-N 0 2 415.540 3.866 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCc2c1cccc2Cl ZINC000476686283 997226803 /nfs/dbraw/zinc/22/68/03/997226803.db2.gz KJINCTSEXDTMTR-UHFFFAOYSA-N 0 2 419.915 3.800 20 0 HHADLN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476689281 997229826 /nfs/dbraw/zinc/22/98/26/997229826.db2.gz IYARGCJXGSFNTN-CZUORRHYSA-N 0 2 407.561 3.889 20 0 HHADLN CC(C)(NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc(F)c1 ZINC000476731202 997281884 /nfs/dbraw/zinc/28/18/84/997281884.db2.gz WJMOCTTWDZQEGN-UHFFFAOYSA-N 0 2 419.503 3.748 20 0 HHADLN CC(C)(CNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccs1 ZINC000476740172 997290836 /nfs/dbraw/zinc/29/08/36/997290836.db2.gz BZVGYYQWXCAAIS-UHFFFAOYSA-N 0 2 421.569 3.713 20 0 HHADLN Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476747294 997301229 /nfs/dbraw/zinc/30/12/29/997301229.db2.gz NPFHEOAMMWCTQJ-SFHVURJKSA-N 0 2 413.524 3.670 20 0 HHADLN Cn1ccc2ccc(NC(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)cc21 ZINC000476772616 997330814 /nfs/dbraw/zinc/33/08/14/997330814.db2.gz VGMIHUQWGAOSNQ-UHFFFAOYSA-N 0 2 412.496 3.688 20 0 HHADLN COc1cc(S(=O)(=O)Nc2nc3c(s2)CCCC3)ccc1Br ZINC000476909070 997515524 /nfs/dbraw/zinc/51/55/24/997515524.db2.gz AIFFFNRKLMOVDE-UHFFFAOYSA-N 0 2 403.323 3.594 20 0 HHADLN CCCCn1ncc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)c1C(C)C ZINC000485152013 997535327 /nfs/dbraw/zinc/53/53/27/997535327.db2.gz ZTFVQQPLMWUDFK-UHFFFAOYSA-N 0 2 411.510 3.825 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccccc2OC(F)F)nc1C(C)(C)C ZINC000476929069 997542637 /nfs/dbraw/zinc/54/26/37/997542637.db2.gz CRSBQQMGOFAOKA-UHFFFAOYSA-N 0 2 420.459 3.629 20 0 HHADLN O=C(COc1ccccc1Br)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000485280406 997676412 /nfs/dbraw/zinc/67/64/12/997676412.db2.gz FQRXHTMPPGLYHP-UHFFFAOYSA-N 0 2 409.190 3.530 20 0 HHADLN C[C@@H]1CCCC[C@@H]1N(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485357532 997781352 /nfs/dbraw/zinc/78/13/52/997781352.db2.gz MXNMYBQOKKRSCR-CJNGLKHVSA-N 0 2 408.549 3.986 20 0 HHADLN C[C@@H]1CCC[C@@H](N(C)C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000485360310 997784786 /nfs/dbraw/zinc/78/47/86/997784786.db2.gz QNIUIWLUJVGDJS-UKRRQHHQSA-N 0 2 408.549 3.986 20 0 HHADLN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 ZINC000485397093 997825960 /nfs/dbraw/zinc/82/59/60/997825960.db2.gz QVJSRUQDBCFQSS-UHFFFAOYSA-N 0 2 413.833 3.732 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2cccc(CS(C)(=O)=O)c2)c1Cl ZINC000477168491 997835393 /nfs/dbraw/zinc/83/53/93/997835393.db2.gz YCTJDENIPWVCHG-UHFFFAOYSA-N 0 2 408.328 3.647 20 0 HHADLN CC(C)[N@@H+]1CCc2nc([N-]S(=O)(=O)Cc3ccccc3C(F)(F)F)sc2C1 ZINC000485442918 997884016 /nfs/dbraw/zinc/88/40/16/997884016.db2.gz WGFGPYRUDRVJSH-UHFFFAOYSA-N 0 2 419.494 3.870 20 0 HHADLN CC(C)[N@H+]1CCc2nc([N-]S(=O)(=O)Cc3ccccc3C(F)(F)F)sc2C1 ZINC000485442918 997884024 /nfs/dbraw/zinc/88/40/24/997884024.db2.gz WGFGPYRUDRVJSH-UHFFFAOYSA-N 0 2 419.494 3.870 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1ccc(F)cc1C(F)(F)F ZINC000485474395 997923162 /nfs/dbraw/zinc/92/31/62/997923162.db2.gz WCXDVUOEQJQKSY-UHFFFAOYSA-N 0 2 420.775 3.879 20 0 HHADLN CC(C)Oc1ccccc1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485485091 997937186 /nfs/dbraw/zinc/93/71/86/997937186.db2.gz BXERQUVYYJPDTH-UHFFFAOYSA-N 0 2 417.512 3.983 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cc2cc(F)ccc2[nH]1 ZINC000485489275 997941598 /nfs/dbraw/zinc/94/15/98/997941598.db2.gz LCUAKGCBVNMORM-UHFFFAOYSA-N 0 2 416.459 3.817 20 0 HHADLN COc1cccc(CCC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000485492751 997945284 /nfs/dbraw/zinc/94/52/84/997945284.db2.gz PHLJVCKRBBHAPZ-UHFFFAOYSA-N 0 2 417.512 3.524 20 0 HHADLN Cc1ccc(C)c(OCC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000485496498 997950165 /nfs/dbraw/zinc/95/01/65/997950165.db2.gz WCAIRUCPJJYJPG-UHFFFAOYSA-N 0 2 417.512 3.578 20 0 HHADLN Cc1ccc(C)c(CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000485501465 997957628 /nfs/dbraw/zinc/95/76/28/997957628.db2.gz WKPYLRFNKCALOU-UHFFFAOYSA-N 0 2 401.513 3.742 20 0 HHADLN O=S(=O)(Nc1cc(-c2ccoc2)nn1-c1ccccc1)c1ccc2c(c1)OCO2 ZINC000477314899 998002911 /nfs/dbraw/zinc/00/29/11/998002911.db2.gz DNPNZTCRMYIVOQ-UHFFFAOYSA-N 0 2 409.423 3.662 20 0 HHADLN CC(C)n1cc(S(=O)(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)cn1 ZINC000477423712 998113481 /nfs/dbraw/zinc/11/34/81/998113481.db2.gz JPDONKQVKYBZSH-UHFFFAOYSA-N 0 2 422.514 3.572 20 0 HHADLN CC(=O)c1oc2cc(C)ccc2c1CC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000477440453 998138466 /nfs/dbraw/zinc/13/84/66/998138466.db2.gz CMPXOWXNPWANIM-UHFFFAOYSA-N 0 2 409.467 3.855 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2ccn(-c3ccccc3Cl)n2)cc1 ZINC000486544347 998817425 /nfs/dbraw/zinc/81/74/25/998817425.db2.gz KEUYSXMFUYSVHT-UHFFFAOYSA-N 0 2 421.906 3.742 20 0 HHADLN COC(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2cc(Cl)ccc2OC)c1 ZINC000486558903 998825321 /nfs/dbraw/zinc/82/53/21/998825321.db2.gz RPEWTJDRYDVJLE-UHFFFAOYSA-N 0 2 424.906 3.536 20 0 HHADLN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1nccc(-c2cnn(C)c2)n1 ZINC000486561326 998826382 /nfs/dbraw/zinc/82/63/82/998826382.db2.gz OMHSYQKOSYWIJP-UHFFFAOYSA-N 0 2 419.919 3.854 20 0 HHADLN COCCc1cc(NS(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)n(C)n1 ZINC000486561368 998826592 /nfs/dbraw/zinc/82/65/92/998826592.db2.gz DIDHEBLTRYPBJK-UHFFFAOYSA-N 0 2 421.906 3.856 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000486573135 998834575 /nfs/dbraw/zinc/83/45/75/998834575.db2.gz RDZVJBUFWHPUDN-UHFFFAOYSA-N 0 2 414.874 3.859 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)c1 ZINC000486647152 998874033 /nfs/dbraw/zinc/87/40/33/998874033.db2.gz RIBVVAFKXSACCH-UHFFFAOYSA-N 0 2 408.476 3.691 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2nc(-c3cccs3)ns2)c1 ZINC000486739281 998916276 /nfs/dbraw/zinc/91/62/76/998916276.db2.gz YXWPMOYKHBGEAY-UHFFFAOYSA-N 0 2 416.347 3.560 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3c(C)nn(-c4ccccc4)c3C)s[nH]2)c1 ZINC000478679272 999084594 /nfs/dbraw/zinc/08/45/94/999084594.db2.gz UPKYNOPDRWNTQJ-UHFFFAOYSA-N 0 2 405.483 3.690 20 0 HHADLN CC[C@H](C)c1ncc(NS(=O)(=O)c2cc(Br)cc(OC)c2)cn1 ZINC000478708298 999099344 /nfs/dbraw/zinc/09/93/44/999099344.db2.gz AIGCFVDTEZTXCF-JTQLQIEISA-N 0 2 400.298 3.562 20 0 HHADLN CC(C)(C)S(=O)(=O)Cc1cccc(NS(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000487264513 999117475 /nfs/dbraw/zinc/11/74/75/999117475.db2.gz GIAKVIBNANWUJC-UHFFFAOYSA-N 0 2 421.462 3.618 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C3CC3)n2)c1 ZINC000487428966 999173755 /nfs/dbraw/zinc/17/37/55/999173755.db2.gz MJFPZTVFKIEKIY-UHFFFAOYSA-N 0 2 404.879 3.812 20 0 HHADLN CN(Cc1ccccc1)c1ccccc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000479079035 999284131 /nfs/dbraw/zinc/28/41/31/999284131.db2.gz KOZKZNQHQVGCBE-UHFFFAOYSA-N 0 2 424.448 3.883 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc2c(cccc2Cl)s1 ZINC000479103620 999295022 /nfs/dbraw/zinc/29/50/22/999295022.db2.gz BMLBWCNWMXNHAX-UHFFFAOYSA-N 0 2 411.892 3.718 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c1C ZINC000479156963 999300711 /nfs/dbraw/zinc/30/07/11/999300711.db2.gz MDOIUPDJRJWZRR-UHFFFAOYSA-N 0 2 415.903 3.632 20 0 HHADLN O=S(=O)(Nc1cccnc1N1CCCCC1)c1ccccc1OC(F)(F)F ZINC000479156930 999300840 /nfs/dbraw/zinc/30/08/40/999300840.db2.gz MOCDUJYQCXTAJF-UHFFFAOYSA-N 0 2 401.410 3.771 20 0 HHADLN CC(C)(C)[C@H]1CCc2nc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)sc2C1 ZINC000479158908 999302177 /nfs/dbraw/zinc/30/21/77/999302177.db2.gz NFBLTQYOLHMZRO-JTQLQIEISA-N 0 2 422.498 3.854 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc3ncsc3c2)nc1C(C)(C)C ZINC000479165040 999304986 /nfs/dbraw/zinc/30/49/86/999304986.db2.gz SNBMJKLCZFHPFN-UHFFFAOYSA-N 0 2 411.530 3.638 20 0 HHADLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c1 ZINC000479254573 999349254 /nfs/dbraw/zinc/34/92/54/999349254.db2.gz DRRHEIGKMVGREF-UHFFFAOYSA-N 0 2 411.483 3.646 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ccccc2)ccc1C ZINC000479268368 999356576 /nfs/dbraw/zinc/35/65/76/999356576.db2.gz PYTWYOYZSQZFJJ-UHFFFAOYSA-N 0 2 411.483 3.646 20 0 HHADLN C[C@H]1CC(=Cc2ccco2)c2nc3ccccc3c(C(=O)NCc3n[nH]c(=O)[nH]3)c2C1 ZINC000479373992 999409927 /nfs/dbraw/zinc/40/99/27/999409927.db2.gz HFBMQWGCBZEYKC-UQRISPGASA-N 0 2 415.453 3.704 20 0 HHADLN O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1cnn(CC(F)(F)F)c1 ZINC000479487496 999439736 /nfs/dbraw/zinc/43/97/36/999439736.db2.gz YYEIIZVFFZWNOO-UHFFFAOYSA-N 0 2 411.405 3.825 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc2n[nH]cc2c(C)c1 ZINC000479487910 999439775 /nfs/dbraw/zinc/43/97/75/999439775.db2.gz GGVYOEZEQHSNIP-UHFFFAOYSA-N 0 2 409.895 3.741 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(Br)c(Cl)c1 ZINC000479489512 999440934 /nfs/dbraw/zinc/44/09/34/999440934.db2.gz MXWLVJHIWNFHQB-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1O ZINC000479490035 999441308 /nfs/dbraw/zinc/44/13/08/999441308.db2.gz RBUNVMKAUCOYIG-UHFFFAOYSA-N 0 2 406.287 3.915 20 0 HHADLN Cc1cccc(F)c1S(=O)(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 ZINC000479496946 999444440 /nfs/dbraw/zinc/44/44/40/999444440.db2.gz AGOICQGRCVYPHJ-UHFFFAOYSA-N 0 2 419.499 3.909 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000479507140 999449791 /nfs/dbraw/zinc/44/97/91/999449791.db2.gz WLXHGJKQWRRZMH-UHFFFAOYSA-N 0 2 424.828 3.970 20 0 HHADLN Cc1cccc(F)c1S(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000479520805 999457951 /nfs/dbraw/zinc/45/79/51/999457951.db2.gz YBMGUEVILYRIPQ-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN O=C1CCc2cc(NS(=O)(=O)c3cccc(Cl)c3F)ccc2N1CC1CC1 ZINC000479525067 999460532 /nfs/dbraw/zinc/46/05/32/999460532.db2.gz CUGNJZVIPUQEKY-UHFFFAOYSA-N 0 2 408.882 3.969 20 0 HHADLN COc1ccc(Cn2ccc(NS(=O)(=O)c3ccc(OC(C)C)cc3)n2)cc1 ZINC000488371342 999462112 /nfs/dbraw/zinc/46/21/12/999462112.db2.gz VILYVMGTVLJSDV-UHFFFAOYSA-N 0 2 401.488 3.528 20 0 HHADLN CCCOc1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(OC)cc3)n2)cc1 ZINC000488377332 999465172 /nfs/dbraw/zinc/46/51/72/999465172.db2.gz GPRKWHAWILXTAK-UHFFFAOYSA-N 0 2 401.488 3.530 20 0 HHADLN CC(=O)Nc1cc(F)c(F)cc1NS(=O)(=O)c1cccc(C)c1Br ZINC000488393991 999472947 /nfs/dbraw/zinc/47/29/47/999472947.db2.gz HTPDJEGXJKZVGF-UHFFFAOYSA-N 0 2 419.247 3.795 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccc2c(c1)COC2 ZINC000488405833 999477586 /nfs/dbraw/zinc/47/75/86/999477586.db2.gz BOAKHNWLFDVSFR-UHFFFAOYSA-N 0 2 407.904 3.613 20 0 HHADLN COc1ccc(Oc2ccc(S(=O)(=O)Nc3ncccc3NC(C)=O)cc2)cc1 ZINC000488428342 999484417 /nfs/dbraw/zinc/48/44/17/999484417.db2.gz HIYAUDAIXPUTLP-UHFFFAOYSA-N 0 2 413.455 3.642 20 0 HHADLN CCc1ccc2nc(NS(=O)(=O)c3c(OC)cc(OC)cc3OC)sc2c1 ZINC000488437235 999486850 /nfs/dbraw/zinc/48/68/50/999486850.db2.gz WDDDYVFZHOIBKC-UHFFFAOYSA-N 0 2 408.501 3.685 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)n(Cc2ccccn2)n1 ZINC000479597565 999494597 /nfs/dbraw/zinc/49/45/97/999494597.db2.gz DLMZEUWQEVDTHL-UHFFFAOYSA-N 0 2 410.421 3.540 20 0 HHADLN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1nnc(CC(C)C)s1 ZINC000479604843 999497493 /nfs/dbraw/zinc/49/74/93/999497493.db2.gz GKDNEZJPRZCFDR-UHFFFAOYSA-N 0 2 408.318 3.747 20 0 HHADLN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S(=O)(=O)Cc2cccc(C(F)F)c2)c1C ZINC000479836355 999618410 /nfs/dbraw/zinc/61/84/10/999618410.db2.gz IZHPZLAKADSUQD-LBPRGKRZSA-N 0 2 413.442 3.542 20 0 HHADLN COC(=O)c1ccc(N2CCCC2)c(NC(=O)NC2COc3c2ccc(C)c3C)c1 ZINC000479924886 999650896 /nfs/dbraw/zinc/65/08/96/999650896.db2.gz GXVOLRZCOYVGLJ-IBGZPJMESA-N 0 2 409.486 3.945 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1c(F)cccc1F)c1cnn([C@@H]2CCOC2)c1 ZINC000488972415 999661221 /nfs/dbraw/zinc/66/12/21/999661221.db2.gz HRELGRVGUKLYPA-CYBMUJFWSA-N 0 2 405.426 3.591 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)cc1C(F)(F)F ZINC000479974586 999670315 /nfs/dbraw/zinc/67/03/15/999670315.db2.gz HHWYRVZBRIKMCE-UHFFFAOYSA-N 0 2 405.345 3.771 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1C ZINC000479981990 999672936 /nfs/dbraw/zinc/67/29/36/999672936.db2.gz DFXPVZSLUQRKHV-UHFFFAOYSA-N 0 2 423.903 3.754 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2ccnn2-c2cc(C)ccn2)c2ccccc12 ZINC000480012592 999686159 /nfs/dbraw/zinc/68/61/59/999686159.db2.gz KTYUFWZSFLQHPS-UHFFFAOYSA-N 0 2 408.483 3.928 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCCN(c2ccccc2F)CC1 ZINC000480048374 999701093 /nfs/dbraw/zinc/70/10/93/999701093.db2.gz ROEGXDDEZJNWDT-UHFFFAOYSA-N 0 2 403.508 3.572 20 0 HHADLN CCc1c(NS(=O)(=O)c2cccc(C(=O)OC)c2C)cnn1-c1cccc(C)c1 ZINC000480199909 999743084 /nfs/dbraw/zinc/74/30/84/999743084.db2.gz ROVHABGMRQJBAZ-UHFFFAOYSA-N 0 2 413.499 3.639 20 0 HHADLN CCc1c(NS(=O)(=O)c2cccc(C(=O)OC)c2C)cnn1-c1ccccc1C ZINC000480203952 999744367 /nfs/dbraw/zinc/74/43/67/999744367.db2.gz WRFLCWXTTZDPFB-UHFFFAOYSA-N 0 2 413.499 3.639 20 0 HHADLN CCc1c(NS(=O)(=O)c2cccc(C(=O)OC)c2)cnn1-c1ccccc1Cl ZINC000480231090 999751577 /nfs/dbraw/zinc/75/15/77/999751577.db2.gz WESSIPFJXWRQPX-UHFFFAOYSA-N 0 2 419.890 3.676 20 0 HHADLN Cc1ccc(OCc2nc(NS(=O)(=O)c3ccccc3C(F)(F)F)no2)cc1 ZINC000480235125 999752920 /nfs/dbraw/zinc/75/29/20/999752920.db2.gz TXBMKQXKHADBAI-UHFFFAOYSA-N 0 2 413.377 3.777 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1cnn(-c2ccc(C)cc2)c1C(C)C ZINC000480239056 999753631 /nfs/dbraw/zinc/75/36/31/999753631.db2.gz DJQXMCPYYNJGHF-UHFFFAOYSA-N 0 2 419.528 3.953 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)[C@@H]1C[C@H]1c1ccc(OC(F)(F)F)cc1 ZINC000480578923 999831558 /nfs/dbraw/zinc/83/15/58/999831558.db2.gz JVKCGOOJIYKHHW-UONOGXRCSA-N 0 2 406.389 3.663 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000490088555 999891195 /nfs/dbraw/zinc/89/11/95/999891195.db2.gz PEGSCZJXBZBMJA-QLFBSQMISA-N 0 2 420.560 3.884 20 0 HHADLN Cc1ccc(/C=C/CC(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)cc1 ZINC000490091803 999892087 /nfs/dbraw/zinc/89/20/87/999892087.db2.gz UXGVNVLQXQMEJB-NSCUHMNNSA-N 0 2 414.512 3.689 20 0 HHADLN O=C(CCOCC(F)(F)C(F)(F)F)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000490145115 999899728 /nfs/dbraw/zinc/89/97/28/999899728.db2.gz RSLZWIQBDQQWCV-UHFFFAOYSA-N 0 2 415.771 3.823 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3cc(Cl)c(F)c(Cl)c3)c(F)cc2N1 ZINC000491573407 1000084780 /nfs/dbraw/zinc/08/47/80/1000084780.db2.gz SBZXYDFANZMOLM-UHFFFAOYSA-N 0 2 407.225 3.957 20 0 HHADLN O=S(=O)(Nc1cccc2c1OCCO2)c1cccc(Cl)c1Br ZINC000491572826 1000084833 /nfs/dbraw/zinc/08/48/33/1000084833.db2.gz PHABELKCQHGCGP-UHFFFAOYSA-N 0 2 404.669 3.675 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000491806577 1000095363 /nfs/dbraw/zinc/09/53/63/1000095363.db2.gz HIGFXQWQDGSGMK-UHFFFAOYSA-N 0 2 400.294 3.884 20 0 HHADLN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]c(-c3ccccc3)nc2c1 ZINC000491853726 1000097610 /nfs/dbraw/zinc/09/76/10/1000097610.db2.gz QVUILGWNCKRJKT-UHFFFAOYSA-N 0 2 407.451 3.817 20 0 HHADLN CCCn1nccc1C1CCN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)CC1 ZINC000504614719 1000293632 /nfs/dbraw/zinc/29/36/32/1000293632.db2.gz YJJZGWKIDWYUII-UHFFFAOYSA-N 0 2 402.549 3.707 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCCc2ccccc2O)cc1 ZINC000504653975 1000310979 /nfs/dbraw/zinc/31/09/79/1000310979.db2.gz UBDPYCVQXUIHQW-UHFFFAOYSA-N 0 2 416.524 3.535 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N[C@@H]1CCCC(F)(F)C1 ZINC000494135277 1000324423 /nfs/dbraw/zinc/32/44/23/1000324423.db2.gz HDGPSPHPUOAAEH-GFCCVEGCSA-N 0 2 416.475 3.643 20 0 HHADLN CC(C)(C)NS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc2ccccc21 ZINC000494401792 1000474406 /nfs/dbraw/zinc/47/44/06/1000474406.db2.gz FIRUSWLYEMTKBD-UHFFFAOYSA-N 0 2 418.540 3.717 20 0 HHADLN Cc1n[nH]c(NS(=O)(=O)c2ccc(OC(C)C)cc2)c1-c1ccc2c(c1)OCO2 ZINC000494472605 1000510941 /nfs/dbraw/zinc/51/09/41/1000510941.db2.gz MADYOXQZHYRYFW-UHFFFAOYSA-N 0 2 415.471 3.702 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1cnc(OCC2CC2)cn1 ZINC000505286251 1000671715 /nfs/dbraw/zinc/67/17/15/1000671715.db2.gz AUBPEDSMJHTYKH-UHFFFAOYSA-N 0 2 405.245 3.610 20 0 HHADLN O=C(c1ccc(Br)c(O)c1)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000497096609 1001269623 /nfs/dbraw/zinc/26/96/23/1001269623.db2.gz YZTWBUVGBFCXNW-OAHLLOKOSA-N 0 2 413.275 3.917 20 0 HHADLN Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NS(=O)(=O)c3ccoc3)cc2Cl)n1 ZINC000506706859 1001499863 /nfs/dbraw/zinc/49/98/63/1001499863.db2.gz IKWGAXQALPYYGE-ZDUSSCGKSA-N 0 2 422.894 3.747 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)c1 ZINC000506724709 1001506239 /nfs/dbraw/zinc/50/62/39/1001506239.db2.gz DCLIEZIFMWSXSV-UHFFFAOYSA-N 0 2 419.377 3.571 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000506807302 1001540668 /nfs/dbraw/zinc/54/06/68/1001540668.db2.gz TVAGITBVTGXYQM-UHFFFAOYSA-N 0 2 421.327 3.916 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(Br)c2)s1)c1ccsc1 ZINC000506813821 1001544817 /nfs/dbraw/zinc/54/48/17/1001544817.db2.gz HTZGRWOWYKWJSH-UHFFFAOYSA-N 0 2 402.320 3.830 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)c1 ZINC000506817161 1001546860 /nfs/dbraw/zinc/54/68/60/1001546860.db2.gz RRPDKZFRSRFKHN-UHFFFAOYSA-N 0 2 416.524 3.640 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)c1 ZINC000506824752 1001551109 /nfs/dbraw/zinc/55/11/09/1001551109.db2.gz YYKXKKBTMTWRLR-UHFFFAOYSA-N 0 2 416.524 3.640 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2ccoc2)c(C(F)(F)F)c1)c1ccco1 ZINC000506836963 1001558120 /nfs/dbraw/zinc/55/81/20/1001558120.db2.gz XTOXEGKAUCBQJD-UHFFFAOYSA-N 0 2 400.334 3.945 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2cc(C3CCCCCC3)n[nH]2)c1 ZINC000506850481 1001564670 /nfs/dbraw/zinc/56/46/70/1001564670.db2.gz YXMCZEVOOSLZAN-UHFFFAOYSA-N 0 2 405.520 3.754 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2ccccc2O[C@H]2CCOC2)c1 ZINC000498032170 1001614116 /nfs/dbraw/zinc/61/41/16/1001614116.db2.gz CPYCVQPYMQDUPC-ZDUSSCGKSA-N 0 2 412.305 3.726 20 0 HHADLN CCOC(=O)C(=C(O)CSc1nc(-c2ccc(C)cc2)n[nH]1)c1nc(C)cs1 ZINC000498070731 1001629682 /nfs/dbraw/zinc/62/96/82/1001629682.db2.gz IVQFAEATFAHKMM-OAHLLOKOSA-N 0 2 416.528 3.553 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](C)c3cc(OC)ccc3OC)s[nH]2)c1 ZINC000498211620 1001695836 /nfs/dbraw/zinc/69/58/36/1001695836.db2.gz VTHXKQBRYGHZAH-LBPRGKRZSA-N 0 2 414.487 3.536 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(ccc4c3CCCC4)s2)cc1 ZINC000507303418 1001985268 /nfs/dbraw/zinc/98/52/68/1001985268.db2.gz LIKODZKPTGBURW-UHFFFAOYSA-N 0 2 402.497 3.763 20 0 HHADLN Cc1noc(C(C)C)c1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000498666632 1002060490 /nfs/dbraw/zinc/06/04/90/1002060490.db2.gz ISSJTRHZLFMAEQ-UHFFFAOYSA-N 0 2 406.489 3.616 20 0 HHADLN COCCCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1OC ZINC000507543962 1002150966 /nfs/dbraw/zinc/15/09/66/1002150966.db2.gz ASASUZCLOKDHQC-UHFFFAOYSA-N 0 2 403.859 3.704 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)cc1OC(F)F)c1cncc(Br)c1 ZINC000507887228 1002419375 /nfs/dbraw/zinc/41/93/75/1002419375.db2.gz JHRWZOUMFDSQCF-UHFFFAOYSA-N 0 2 413.627 3.900 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C(C)C)cn1 ZINC000507907845 1002442000 /nfs/dbraw/zinc/44/20/00/1002442000.db2.gz IABYPFLOQSKBCQ-UHFFFAOYSA-N 0 2 406.895 3.854 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2cnn([C@H](C)CC)c2C2CC2)c1 ZINC000507920122 1002454691 /nfs/dbraw/zinc/45/46/91/1002454691.db2.gz JXOCVIZJEWXOCT-CQSZACIVSA-N 0 2 405.520 3.638 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)c1C ZINC000507940455 1002475040 /nfs/dbraw/zinc/47/50/40/1002475040.db2.gz YMPBBMIEYTWCOH-UHFFFAOYSA-N 0 2 420.318 3.886 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cccc2c1CCO2 ZINC000507970548 1002501979 /nfs/dbraw/zinc/50/19/79/1002501979.db2.gz OYIVZOQDWIACBA-UHFFFAOYSA-N 0 2 402.255 3.516 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(Oc3ccccc3F)nc2)c1 ZINC000507979153 1002508165 /nfs/dbraw/zinc/50/81/65/1002508165.db2.gz LVVOZOUVZDMWBH-UHFFFAOYSA-N 0 2 418.446 3.969 20 0 HHADLN CC[C@@H](C)n1c(SCC(=O)Nc2ccc3nn[nH]c3c2)nnc1-c1ccccc1 ZINC000507997291 1002525375 /nfs/dbraw/zinc/52/53/75/1002525375.db2.gz DAERACVQFSPUQS-CYBMUJFWSA-N 0 2 407.503 3.918 20 0 HHADLN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1 ZINC000499173813 1002561640 /nfs/dbraw/zinc/56/16/40/1002561640.db2.gz WONRARVVCNIXQO-UHFFFAOYSA-N 0 2 406.305 3.864 20 0 HHADLN Cc1cc(NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)cc(C)c1Cl ZINC000508053488 1002575453 /nfs/dbraw/zinc/57/54/53/1002575453.db2.gz KHNUHOZDGBBKOH-UHFFFAOYSA-N 0 2 424.935 3.805 20 0 HHADLN Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]c1ccc(Cn2cc[nH+]c2)cn1 ZINC000508071115 1002592509 /nfs/dbraw/zinc/59/25/09/1002592509.db2.gz XLPQADROKOSJEI-UHFFFAOYSA-N 0 2 402.863 3.835 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2cc(-c3ccc(F)cc3)nc(C)n2)cc1OC ZINC000508071482 1002593522 /nfs/dbraw/zinc/59/35/22/1002593522.db2.gz YIEHPLOETYOCAC-UHFFFAOYSA-N 0 2 417.462 3.718 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(-c3ccc(F)cc3)nc(C)n2)ccc1C ZINC000508084274 1002606194 /nfs/dbraw/zinc/60/61/94/1002606194.db2.gz NKPKZZNGSTZYBY-UHFFFAOYSA-N 0 2 414.462 3.659 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)F)c2)o1)c1ccc(Cl)cc1 ZINC000508087002 1002609130 /nfs/dbraw/zinc/60/91/30/1002609130.db2.gz UJWMLROGFZCBKI-UHFFFAOYSA-N 0 2 401.778 3.792 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccccn2)s1)c1ccc(OCC(F)(F)F)cc1 ZINC000508099520 1002624825 /nfs/dbraw/zinc/62/48/25/1002624825.db2.gz USJDNQDFGRSCQR-UHFFFAOYSA-N 0 2 415.418 3.947 20 0 HHADLN COc1cc(Cl)c(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)cc1OC ZINC000508103436 1002628659 /nfs/dbraw/zinc/62/86/59/1002628659.db2.gz OWXPPFXLKDCDHS-UHFFFAOYSA-N 0 2 418.924 3.509 20 0 HHADLN O=S(=O)(Nc1ncc(-c2cccnc2)s1)c1ccc(Br)c(F)c1 ZINC000508129590 1002660209 /nfs/dbraw/zinc/66/02/09/1002660209.db2.gz VOTYFLTWOAGJPY-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN CN1c2ccc(S(=O)(=O)Nc3ncc(-c4ccccn4)s3)c3cccc(c23)C1=O ZINC000508131554 1002663285 /nfs/dbraw/zinc/66/32/85/1002663285.db2.gz LGRXODDYLISNHI-UHFFFAOYSA-N 0 2 422.491 3.749 20 0 HHADLN Cc1ccc(Cl)c2sc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)nc21 ZINC000508140705 1002674623 /nfs/dbraw/zinc/67/46/23/1002674623.db2.gz ATYUXXQUFQSBGA-UHFFFAOYSA-N 0 2 409.920 3.761 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cnn(CC(C)C)c3C(C)C)cc21 ZINC000499276603 1002684460 /nfs/dbraw/zinc/68/44/60/1002684460.db2.gz ZKXLUPFXXMBGIG-UHFFFAOYSA-N 0 2 418.563 3.762 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2nnc(-c3cc(F)ccc3C)s2)c1 ZINC000508223733 1002752977 /nfs/dbraw/zinc/75/29/77/1002752977.db2.gz QUJOAHSMQKCLKN-UHFFFAOYSA-N 0 2 423.491 3.608 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)ncn2)cc1 ZINC000508229468 1002756979 /nfs/dbraw/zinc/75/69/79/1002756979.db2.gz DDQCYUZAXQHYCH-UHFFFAOYSA-N 0 2 416.890 3.946 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCn2cccc2[C@H]1c1ccccc1 ZINC000499781592 1003117708 /nfs/dbraw/zinc/11/77/08/1003117708.db2.gz OPYBRZASXJRYEL-JOCHJYFZSA-N 0 2 402.429 3.764 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCSC[C@@H]3c3ccc(C)cc3)=N2)cc1 ZINC000499835004 1003170594 /nfs/dbraw/zinc/17/05/94/1003170594.db2.gz BULFENZCLVBJDD-LJQANCHMSA-N 0 2 409.511 3.825 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](C)c3nc(-c4ccncc4)cs3)=N2)cc1 ZINC000499979903 1003295323 /nfs/dbraw/zinc/29/53/23/1003295323.db2.gz FBXWRZNFLCKBDD-ZDUSSCGKSA-N 0 2 421.482 3.596 20 0 HHADLN O=C(N[C@@H](c1ccc(F)cc1)c1ccccc1Cl)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000509027121 1003498742 /nfs/dbraw/zinc/49/87/42/1003498742.db2.gz CQDDBLVXNBGBKV-KRWDZBQOSA-N 0 2 424.819 3.748 20 0 HHADLN COc1ccc(C2CCN(C(=O)C3=NN(c4ccc(OC)cc4)CC3=O)CC2)cc1 ZINC000500139219 1003499034 /nfs/dbraw/zinc/49/90/34/1003499034.db2.gz DCKQHEWTGMSOGE-UHFFFAOYSA-N 0 2 407.470 3.615 20 0 HHADLN Cc1cc(=O)[nH]c(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3)c(F)cc2C)c1 ZINC000509034551 1003505366 /nfs/dbraw/zinc/50/53/66/1003505366.db2.gz UIQKPSKBUQDSRJ-UHFFFAOYSA-N 0 2 415.446 3.596 20 0 HHADLN C[S@@](=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)cc1 ZINC000509090925 1003545325 /nfs/dbraw/zinc/54/53/25/1003545325.db2.gz UIYOEOQTKXHPKU-HXUWFJFHSA-N 0 2 408.726 3.641 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cc(C)cc(C)c2OC)nc1C(C)C ZINC000509214619 1003628966 /nfs/dbraw/zinc/62/89/66/1003628966.db2.gz YZZKQVAMLGIKMC-UHFFFAOYSA-N 0 2 412.533 3.869 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CC[C@H](Oc4ccccc4Cl)C3)=N2)cc1 ZINC000500331483 1003630072 /nfs/dbraw/zinc/63/00/72/1003630072.db2.gz PWTDMPCDGKUZSP-INIZCTEOSA-N 0 2 413.861 3.533 20 0 HHADLN CCOC(=O)c1cnn(C2CCCC2)c1NS(=O)(=O)c1cnc2ccccc2c1 ZINC000509233321 1003642864 /nfs/dbraw/zinc/64/28/64/1003642864.db2.gz BACGBTDBUWRDNO-UHFFFAOYSA-N 0 2 414.487 3.524 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nnc(CCCc2cccs2)o1 ZINC000509242406 1003649057 /nfs/dbraw/zinc/64/90/57/1003649057.db2.gz WRNQRRXGUNTPPI-UHFFFAOYSA-N 0 2 407.517 3.733 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)cc1OC ZINC000500408534 1003698816 /nfs/dbraw/zinc/69/88/16/1003698816.db2.gz XGWRPAGKYMLJIX-UHFFFAOYSA-N 0 2 412.876 3.546 20 0 HHADLN CC1CCC(N(C(=O)CSc2nc(=O)cc(O)n2C2CCCC2)C2CC2)CC1 ZINC000500416252 1003703099 /nfs/dbraw/zinc/70/30/99/1003703099.db2.gz UQFMOGKBDBOJHO-UHFFFAOYSA-N 0 2 405.564 3.726 20 0 HHADLN CCCc1nnc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)o1 ZINC000500477334 1003738824 /nfs/dbraw/zinc/73/88/24/1003738824.db2.gz ULMFESNTCJNPOE-UHFFFAOYSA-N 0 2 414.203 3.604 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1cc(C)cc(Br)c1O ZINC000509379086 1003808300 /nfs/dbraw/zinc/80/83/00/1003808300.db2.gz OHEDTNYEMZFCHW-UHFFFAOYSA-N 0 2 400.294 3.889 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCS[C@H](C)[C@@H]3c3ccccc3)=N2)cc1 ZINC000500607507 1003824516 /nfs/dbraw/zinc/82/45/16/1003824516.db2.gz MDKPIJSPXNNHBY-QVKFZJNVSA-N 0 2 409.511 3.905 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1OCCC(F)(F)F)c1cccc2c1OCO2 ZINC000509396733 1003827332 /nfs/dbraw/zinc/82/73/32/1003827332.db2.gz NDDYNTSTZLALIP-UHFFFAOYSA-N 0 2 407.341 3.686 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CC[C@@]4(C3)OCc3ccccc34)=N2)c1 ZINC000500651808 1003865027 /nfs/dbraw/zinc/86/50/27/1003865027.db2.gz NQZMTXRFZDADOG-DEOSSOPVSA-N 0 2 403.482 3.973 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(OCC(F)(F)F)c2)c(Cl)c1 ZINC000509612662 1003981006 /nfs/dbraw/zinc/98/10/06/1003981006.db2.gz ZUPLNBSDBNWNMT-UHFFFAOYSA-N 0 2 423.796 3.869 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)c(OC)cc1OC ZINC000509646132 1004002939 /nfs/dbraw/zinc/00/29/39/1004002939.db2.gz IDIWVISNOSOTIU-UHFFFAOYSA-N 0 2 420.270 3.598 20 0 HHADLN C[C@@H]1CCN(C(=O)c2c[nH]c3c(cnn3C)c2=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000512160954 1004067348 /nfs/dbraw/zinc/06/73/48/1004067348.db2.gz TUIWMTAYPNJGOY-BDJLRTHQSA-N 0 2 404.392 3.916 20 0 HHADLN Cn1ncc2c1[nH]cc(C(=O)N1CCC(Sc3ccc(Cl)cc3)CC1)c2=O ZINC000512177490 1004079732 /nfs/dbraw/zinc/07/97/32/1004079732.db2.gz XOHFYGMTCFOXEI-UHFFFAOYSA-N 0 2 402.907 3.724 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccccc2Cl)ns1)c1ccc2ncccc2c1 ZINC000512342006 1004229682 /nfs/dbraw/zinc/22/96/82/1004229682.db2.gz INYUZDKKDGBAGD-UHFFFAOYSA-N 0 2 402.888 3.629 20 0 HHADLN Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)[nH]n1 ZINC000512358246 1004244594 /nfs/dbraw/zinc/24/45/94/1004244594.db2.gz PCGGZLJOMORLIE-UHFFFAOYSA-N 0 2 418.478 3.929 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccc(Cl)c2)ns1)c1ccc(F)cc1Cl ZINC000512367464 1004251030 /nfs/dbraw/zinc/25/10/30/1004251030.db2.gz RDWQCRWVTPDGIG-UHFFFAOYSA-N 0 2 404.275 3.874 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2ccc(Oc3cccc(C(F)(F)F)n3)cc2)cn1 ZINC000510107259 1004328944 /nfs/dbraw/zinc/32/89/44/1004328944.db2.gz VTWUAJXQYMHYHJ-UHFFFAOYSA-N 0 2 412.393 3.910 20 0 HHADLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000510124935 1004341585 /nfs/dbraw/zinc/34/15/85/1004341585.db2.gz NKKWMQHPKGSXTI-GFCCVEGCSA-N 0 2 403.891 3.958 20 0 HHADLN COc1ccccc1Oc1ccc(NC(=O)c2c[nH]c3nc(=O)[nH]c(=O)c-3c2)cc1F ZINC000510242874 1004419255 /nfs/dbraw/zinc/41/92/55/1004419255.db2.gz NGLRATUDTOUNTK-UHFFFAOYSA-N 0 2 422.372 3.628 20 0 HHADLN O=S(=O)(Nc1nccs1)c1cccc(NCc2cccc3c2OCCCO3)c1 ZINC000512616217 1004429442 /nfs/dbraw/zinc/42/94/42/1004429442.db2.gz CRSVPNQHGKJAEM-UHFFFAOYSA-N 0 2 417.512 3.717 20 0 HHADLN O=S(=O)(Nc1nccs1)c1cccc(NCc2ccn(-c3ccccc3)n2)c1 ZINC000512664037 1004474734 /nfs/dbraw/zinc/47/47/34/1004474734.db2.gz VABICYXWDKTPGZ-UHFFFAOYSA-N 0 2 411.512 3.742 20 0 HHADLN COc1cc[nH]c(=O)c1C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000512944282 1004714866 /nfs/dbraw/zinc/71/48/66/1004714866.db2.gz AHYOWLMCSYUWMC-UHFFFAOYSA-N 0 2 420.450 3.781 20 0 HHADLN O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000501979011 1004843077 /nfs/dbraw/zinc/84/30/77/1004843077.db2.gz NPHKRSQDLOEDIB-UHFFFAOYSA-N 0 2 404.209 3.794 20 0 HHADLN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000501984922 1004846147 /nfs/dbraw/zinc/84/61/47/1004846147.db2.gz OEGPLKVHBHZMDP-OAHLLOKOSA-N 0 2 410.236 3.556 20 0 HHADLN CC(C)[C@@H](C(=O)Nc1cc(Cl)c(O)c(Cl)c1)N1C(=O)c2ccccc2C1=O ZINC000501987677 1004847984 /nfs/dbraw/zinc/84/79/84/1004847984.db2.gz XHTMYHWTBKCOMO-HNNXBMFYSA-N 0 2 407.253 3.958 20 0 HHADLN CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cc(Cl)c(O)c(Cl)c1)C2=O ZINC000501990642 1004849488 /nfs/dbraw/zinc/84/94/88/1004849488.db2.gz NMHQOKKRQNBLJA-UHFFFAOYSA-N 0 2 414.289 3.528 20 0 HHADLN Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000501998860 1004853653 /nfs/dbraw/zinc/85/36/53/1004853653.db2.gz JVKPBEQSGWDFRZ-UHFFFAOYSA-N 0 2 405.241 3.746 20 0 HHADLN O=c1[nH]nc(CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)[nH]1 ZINC000513252462 1004880425 /nfs/dbraw/zinc/88/04/25/1004880425.db2.gz KYIPTXUCVLQOHY-UHFFFAOYSA-N 0 2 420.285 3.752 20 0 HHADLN Cn1c(=O)oc2c1cccc2NC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000510927415 1004937812 /nfs/dbraw/zinc/93/78/12/1004937812.db2.gz GKKJUNARVBOGAE-UHFFFAOYSA-N 0 2 413.231 3.536 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)c1F ZINC000513433814 1004964499 /nfs/dbraw/zinc/96/44/99/1004964499.db2.gz ZFPSGUBWKRPAMK-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)NCc3ccc(NC(=O)N(C)C)cc3)=N2)c1 ZINC000511078804 1005009123 /nfs/dbraw/zinc/00/91/23/1005009123.db2.gz BXPBCOKNIAFTLP-UHFFFAOYSA-N 0 2 421.501 3.725 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C3C[C@@H](C)C[C@H](C)C3)cc2)nc(C)n1 ZINC000502520009 1005099534 /nfs/dbraw/zinc/09/95/34/1005099534.db2.gz PCQPRROWTUQNIE-KBPBESRZSA-N 0 2 416.547 3.905 20 0 HHADLN CCOC(=O)C1CCC(N(CC)C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)CC1 ZINC000514042044 1005240038 /nfs/dbraw/zinc/24/00/38/1005240038.db2.gz ZRXYDPFTDRRWHQ-UHFFFAOYSA-N 0 2 417.481 3.609 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[n-]s1)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000511714526 1005289137 /nfs/dbraw/zinc/28/91/37/1005289137.db2.gz VUSOLLKPZNPDSP-HNNXBMFYSA-N 0 2 420.510 3.784 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[n-]s1)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000511714526 1005289143 /nfs/dbraw/zinc/28/91/43/1005289143.db2.gz VUSOLLKPZNPDSP-HNNXBMFYSA-N 0 2 420.510 3.784 20 0 HHADLN CC(C)[C@H]1C[C@H](CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CCO1 ZINC000514168759 1005297143 /nfs/dbraw/zinc/29/71/43/1005297143.db2.gz AURXVBCKHQEMTD-RHSMWYFYSA-N 0 2 423.560 3.724 20 0 HHADLN CCCCN(CCCC)S(=O)(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000503208138 1005368776 /nfs/dbraw/zinc/36/87/76/1005368776.db2.gz OLFRSTCZLIFFQG-GOSISDBHSA-N 0 2 405.568 3.756 20 0 HHADLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000503410558 1005411509 /nfs/dbraw/zinc/41/15/09/1005411509.db2.gz YBDYENOHNLULJH-UHFFFAOYSA-N 0 2 423.292 3.777 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)=N1 ZINC000503534465 1005445889 /nfs/dbraw/zinc/44/58/89/1005445889.db2.gz PGDOLFDAUKJPLG-HNNXBMFYSA-N 0 2 415.852 3.972 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)=N1 ZINC000503534466 1005445955 /nfs/dbraw/zinc/44/59/55/1005445955.db2.gz PGDOLFDAUKJPLG-OAHLLOKOSA-N 0 2 415.852 3.972 20 0 HHADLN CCn1cnc(S(=O)(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 ZINC000503845644 1005499493 /nfs/dbraw/zinc/49/94/93/1005499493.db2.gz LWBWUVXJQLLJMH-GFCCVEGCSA-N 0 2 401.332 3.504 20 0 HHADLN O=C(Cc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1)N1CCCc2ccccc21 ZINC000503846506 1005499823 /nfs/dbraw/zinc/49/98/23/1005499823.db2.gz NXWZPVTVNUKBLK-UHFFFAOYSA-N 0 2 411.465 3.732 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C(C)(C)C)c1 ZINC000503963780 1005520768 /nfs/dbraw/zinc/52/07/68/1005520768.db2.gz SZTDDVAUDNLWPR-UHFFFAOYSA-N 0 2 413.499 3.893 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1cc2n[nH]cc2c(C)c1 ZINC000504044349 1005539720 /nfs/dbraw/zinc/53/97/20/1005539720.db2.gz UQOGOPMVGYYBLB-UHFFFAOYSA-N 0 2 414.256 3.582 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3ccc(Cl)c(OC(F)F)c3)c(F)cc2N1 ZINC000504045656 1005539752 /nfs/dbraw/zinc/53/97/52/1005539752.db2.gz RNBDCITZALCSIT-UHFFFAOYSA-N 0 2 420.796 3.766 20 0 HHADLN O=S(=O)(Nc1ccc2n[nH]cc2c1)c1c(Cl)cc(F)cc1Br ZINC000504247488 1005581599 /nfs/dbraw/zinc/58/15/99/1005581599.db2.gz SXWNIHLKHZGWKD-UHFFFAOYSA-N 0 2 404.648 3.919 20 0 HHADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000534058153 1006029594 /nfs/dbraw/zinc/02/95/94/1006029594.db2.gz SGRGORATBADWQK-UHFFFAOYSA-N 0 2 421.853 3.718 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2[nH]nc(-c3ccccc3)c2C)cc1Cl ZINC000534065222 1006036354 /nfs/dbraw/zinc/03/63/54/1006036354.db2.gz ZOUCUQSWEVIJNZ-UHFFFAOYSA-N 0 2 422.869 3.937 20 0 HHADLN CCSCc1ccnc(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)c1 ZINC000534172342 1006155996 /nfs/dbraw/zinc/15/59/96/1006155996.db2.gz XBRYTSKVHIPAFV-UHFFFAOYSA-N 0 2 400.909 3.576 20 0 HHADLN CC(C)(C)n1cc(C(=O)C(=O)Nc2cc(Cl)cc(Br)c2O)cn1 ZINC000531372647 1006157246 /nfs/dbraw/zinc/15/72/46/1006157246.db2.gz RYLGWTIAGVLQAH-UHFFFAOYSA-N 0 2 400.660 3.581 20 0 HHADLN O=S(=O)(Nc1ncn(Cc2ccccc2)n1)c1csc2ccc(Cl)cc21 ZINC000531430358 1006191664 /nfs/dbraw/zinc/19/16/64/1006191664.db2.gz KPTGGMHSUJQDAY-UHFFFAOYSA-N 0 2 404.904 3.995 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)s2)c(C)c1 ZINC000531450222 1006204537 /nfs/dbraw/zinc/20/45/37/1006204537.db2.gz NWEMAGPHKMZIKL-UHFFFAOYSA-N 0 2 407.492 3.694 20 0 HHADLN CC[C@H]1CN(C(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)[C@@H](CC)CN1C(C)=O ZINC000531464070 1006213283 /nfs/dbraw/zinc/21/32/83/1006213283.db2.gz ZXMSIDVOBXKWCQ-OALUTQOASA-N 0 2 412.534 3.563 20 0 HHADLN Cc1c(C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)cnn1-c1ccccc1Cl ZINC000514972389 1006229269 /nfs/dbraw/zinc/22/92/69/1006229269.db2.gz NEUKAEOFSBOUTM-UHFFFAOYSA-N 0 2 408.849 3.886 20 0 HHADLN COCCOc1c(Cl)cc(S(=O)(=O)Nc2nnc(C3CC3)s2)cc1Cl ZINC000515012261 1006247528 /nfs/dbraw/zinc/24/75/28/1006247528.db2.gz CHKBGKOPHUZDNP-UHFFFAOYSA-N 0 2 424.331 3.548 20 0 HHADLN COc1cc(OC)c(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1F ZINC000531527002 1006254776 /nfs/dbraw/zinc/25/47/76/1006254776.db2.gz FNTMJCYRKFJUSK-UHFFFAOYSA-N 0 2 410.250 3.959 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@@H](CO)c1ccc(Cl)cc1 ZINC000515228180 1006346594 /nfs/dbraw/zinc/34/65/94/1006346594.db2.gz IICSBTLDNFQAGB-AWEZNQCLSA-N 0 2 409.298 3.789 20 0 HHADLN COCc1c(C(=O)N=c2nc(-c3cccnc3)[nH]s2)sc2cccc(F)c21 ZINC000534434192 1006409590 /nfs/dbraw/zinc/40/95/90/1006409590.db2.gz ZFOHFXZEYYFYJC-UHFFFAOYSA-N 0 2 400.460 3.775 20 0 HHADLN Cc1noc(C)c1CSc1ncccc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000534436323 1006412493 /nfs/dbraw/zinc/41/24/93/1006412493.db2.gz OSNIYPHXKMSQHT-UHFFFAOYSA-N 0 2 424.511 3.566 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cncc2ccccc21 ZINC000515434144 1006458560 /nfs/dbraw/zinc/45/85/60/1006458560.db2.gz VFBPRDLWAYCXSL-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN CC1(C)c2cc(S(=O)(=O)Nc3cc(C4CC4)nn3-c3ccccc3)ccc2NC1=O ZINC000531857572 1006478481 /nfs/dbraw/zinc/47/84/81/1006478481.db2.gz FXXVDHCQDGFTTM-UHFFFAOYSA-N 0 2 422.510 3.780 20 0 HHADLN C[C@@H](Oc1ccc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cn1)c1ccccc1 ZINC000534494671 1006492160 /nfs/dbraw/zinc/49/21/60/1006492160.db2.gz SHNVOCWVWSQPLN-CQSZACIVSA-N 0 2 403.467 3.809 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2c[nH]c(=O)c(C)c2)cc1 ZINC000534549855 1006540663 /nfs/dbraw/zinc/54/06/63/1006540663.db2.gz QUQPOIVXFBKSOR-UHFFFAOYSA-N 0 2 403.485 3.519 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc(OCc2ccccn2)c1 ZINC000532018627 1006578585 /nfs/dbraw/zinc/57/85/85/1006578585.db2.gz KHPMXJVCAIGPON-UHFFFAOYSA-N 0 2 400.504 3.856 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N(C)CCCc3cc(-c4cccc(F)c4)n[nH]3)c[nH]c2n1 ZINC000515993469 1006816499 /nfs/dbraw/zinc/81/64/99/1006816499.db2.gz SEAXVMRYKPXWEW-UHFFFAOYSA-N 0 2 419.460 3.878 20 0 HHADLN CCC(CC)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 ZINC000534883943 1006910879 /nfs/dbraw/zinc/91/08/79/1006910879.db2.gz FPKCMMRSSWGTAB-AWEZNQCLSA-N 0 2 404.536 3.905 20 0 HHADLN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cn1 ZINC000538753690 1007039184 /nfs/dbraw/zinc/03/91/84/1007039184.db2.gz BGBDTTBEHXMMTG-UHFFFAOYSA-N 0 2 408.785 3.731 20 0 HHADLN Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000538831171 1007104676 /nfs/dbraw/zinc/10/46/76/1007104676.db2.gz KZBYNZCPYFQBLP-OAHLLOKOSA-N 0 2 410.236 3.556 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)cc1Cl ZINC000532725590 1007134692 /nfs/dbraw/zinc/13/46/92/1007134692.db2.gz LOIHSYRPBRBEPX-UHFFFAOYSA-N 0 2 409.851 3.527 20 0 HHADLN Cc1cnn(Cc2cc(C(=O)Nc3nc(-c4ccc(C(C)(C)C)cc4)n[nH]3)no2)c1 ZINC000535163069 1007206509 /nfs/dbraw/zinc/20/65/09/1007206509.db2.gz WAMXYGDULAYDNO-UHFFFAOYSA-N 0 2 405.462 3.563 20 0 HHADLN OC(=Cc1csc(-c2ccccc2Cl)n1)Nc1nc(-c2cccnc2)ns1 ZINC000535171023 1007213733 /nfs/dbraw/zinc/21/37/33/1007213733.db2.gz CEHUICFKZQTMMW-UHFFFAOYSA-N 0 2 413.915 3.980 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000535173204 1007216474 /nfs/dbraw/zinc/21/64/74/1007216474.db2.gz LWHCKBYRTXFIOD-ZIAGYGMSSA-N 0 2 401.289 3.527 20 0 HHADLN CNC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(-c4cccc(F)c4)[nH]c3c2)cc1 ZINC000516671635 1007220157 /nfs/dbraw/zinc/22/01/57/1007220157.db2.gz KTPMRPOEUFECAJ-UHFFFAOYSA-N 0 2 424.457 3.529 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000535230151 1007282753 /nfs/dbraw/zinc/28/27/53/1007282753.db2.gz KXDQHUQRZLVUID-UHFFFAOYSA-N 0 2 404.426 3.644 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)nc1C(C)C ZINC000535232799 1007286007 /nfs/dbraw/zinc/28/60/07/1007286007.db2.gz FKUDEPCBRQEHDE-LLVKDONJSA-N 0 2 410.517 3.567 20 0 HHADLN C[C@H](O)CN(Cc1ccccc1)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000516919163 1007344322 /nfs/dbraw/zinc/34/43/22/1007344322.db2.gz ARFCBJSSYMSACR-ZDUSSCGKSA-N 0 2 402.907 3.695 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(Cc3cccc(O)c3)CC3CC3)s[nH]2)c1 ZINC000517000199 1007368304 /nfs/dbraw/zinc/36/83/04/1007368304.db2.gz VHGOTVPRLVCNQY-UHFFFAOYSA-N 0 2 410.499 3.785 20 0 HHADLN O=S(=O)(Nc1cccc2c1CN(c1nccs1)C2)c1cnn(-c2ccccc2)c1 ZINC000535351612 1007407481 /nfs/dbraw/zinc/40/74/81/1007407481.db2.gz SGSYCVXYKLVPBW-UHFFFAOYSA-N 0 2 423.523 3.650 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)nc1C1CC1 ZINC000535387441 1007453151 /nfs/dbraw/zinc/45/31/51/1007453151.db2.gz SCTRMQCKDFKDPS-UHFFFAOYSA-N 0 2 407.300 3.915 20 0 HHADLN CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(F)cc1C(=O)OC ZINC000535402530 1007471209 /nfs/dbraw/zinc/47/12/09/1007471209.db2.gz JXFGXUVRTYMOKX-UHFFFAOYSA-N 0 2 421.368 3.831 20 0 HHADLN COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2N2CCCC2=O)cc1Cl ZINC000517173990 1007480825 /nfs/dbraw/zinc/48/08/25/1007480825.db2.gz LUUUQIYVFZLEFW-UHFFFAOYSA-N 0 2 415.298 3.930 20 0 HHADLN O=S(=O)(c1ccc(F)cc1Cl)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000535455947 1007517941 /nfs/dbraw/zinc/51/79/41/1007517941.db2.gz KJXOXNWBRQSYRL-OAHLLOKOSA-N 0 2 406.870 3.790 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2NC(C)=O)c(Cl)c1 ZINC000517298383 1007548538 /nfs/dbraw/zinc/54/85/38/1007548538.db2.gz JOBUTBBIGAOHPD-UHFFFAOYSA-N 0 2 417.270 3.539 20 0 HHADLN Cc1c(-c2ccccc2)n[nH]c1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000535512864 1007566185 /nfs/dbraw/zinc/56/61/85/1007566185.db2.gz ALJGMGSZPUZZKE-UHFFFAOYSA-N 0 2 418.478 3.929 20 0 HHADLN Cc1cc(Cl)cc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1O ZINC000533450667 1007765986 /nfs/dbraw/zinc/76/59/86/1007765986.db2.gz YSWGESYLNFQHPB-UHFFFAOYSA-N 0 2 423.903 3.864 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cnn1-c1cc(C)ccc1C ZINC000533464752 1007775707 /nfs/dbraw/zinc/77/57/07/1007775707.db2.gz GTCPTRLONYGMMD-UHFFFAOYSA-N 0 2 424.526 3.828 20 0 HHADLN O=S(=O)(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc(F)cc1F ZINC000517611311 1007815124 /nfs/dbraw/zinc/81/51/24/1007815124.db2.gz HHIDRINVJOXHMP-UHFFFAOYSA-N 0 2 422.375 3.621 20 0 HHADLN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000517620849 1007827635 /nfs/dbraw/zinc/82/76/35/1007827635.db2.gz FVTXVVZFGQGZAM-LBPRGKRZSA-N 0 2 422.944 3.784 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc(C)c(Cc3cccc(C)c3)s2)c(C)o1 ZINC000533636029 1007942475 /nfs/dbraw/zinc/94/24/75/1007942475.db2.gz VXHOUIDJWWWRHZ-UHFFFAOYSA-N 0 2 420.512 3.840 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2c(-c3cccs3)nc3ccccn32)c(C)o1 ZINC000533635473 1007942698 /nfs/dbraw/zinc/94/26/98/1007942698.db2.gz BITHCTWQTXBDOR-UHFFFAOYSA-N 0 2 417.468 3.552 20 0 HHADLN Cc1cccc(-c2cnc(NS(=O)(=O)c3cc(S(C)(=O)=O)ccc3C)s2)c1 ZINC000517778044 1007960431 /nfs/dbraw/zinc/96/04/31/1007960431.db2.gz QZSLQQBOHDLXMR-UHFFFAOYSA-N 0 2 422.553 3.631 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccnc2)ns1)c1ccc(C2CCCCC2)cc1 ZINC000533691569 1008015596 /nfs/dbraw/zinc/01/55/96/1008015596.db2.gz BENQHDACQBKVKE-UHFFFAOYSA-N 0 2 400.529 3.871 20 0 HHADLN CC(C)(C(=O)N=c1nc(-c2cccnc2)[nH]s1)c1cccc(Br)c1 ZINC000533726792 1008053077 /nfs/dbraw/zinc/05/30/77/1008053077.db2.gz MOMVOKUCPXAKOE-UHFFFAOYSA-N 0 2 403.305 3.701 20 0 HHADLN CCCc1noc2nc(C3CC3)cc(C(=O)N=c3nc(-c4cccnc4)[nH]s3)c12 ZINC000533729570 1008056307 /nfs/dbraw/zinc/05/63/07/1008056307.db2.gz HIAROGUMPZTWMN-UHFFFAOYSA-N 0 2 406.471 3.640 20 0 HHADLN CC[C@H](Cc1ccccc1Br)C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000533730298 1008056794 /nfs/dbraw/zinc/05/67/94/1008056794.db2.gz PQEZDIJRYKNGGN-GFCCVEGCSA-N 0 2 417.332 3.992 20 0 HHADLN O=S(=O)(Nc1ccc(OCc2ccncc2)cc1)c1cnn(-c2ccccc2)c1 ZINC000517924657 1008058862 /nfs/dbraw/zinc/05/88/62/1008058862.db2.gz CCODHYRYGUDFPQ-UHFFFAOYSA-N 0 2 406.467 3.647 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cncc(Br)c2)c(Cl)c1Cl ZINC000533784644 1008107282 /nfs/dbraw/zinc/10/72/82/1008107282.db2.gz POOXINKKRHATFO-UHFFFAOYSA-N 0 2 412.092 3.960 20 0 HHADLN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000536096363 1008119305 /nfs/dbraw/zinc/11/93/05/1008119305.db2.gz VCIDVFGVBUPUFI-QMMMGPOBSA-N 0 2 423.705 3.658 20 0 HHADLN Cc1ccc(Sc2ncccc2C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c(C)c1 ZINC000539931154 1008190322 /nfs/dbraw/zinc/19/03/22/1008190322.db2.gz GSGIBMZMJBDHMG-UHFFFAOYSA-N 0 2 409.515 3.693 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)nc1C1CC1 ZINC000533939576 1008220322 /nfs/dbraw/zinc/22/03/22/1008220322.db2.gz PXOYGXNUFHDFRR-UHFFFAOYSA-N 0 2 407.300 3.915 20 0 HHADLN CCCOc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)cc1C(=O)OC ZINC000533953070 1008230225 /nfs/dbraw/zinc/23/02/25/1008230225.db2.gz MPVUCYVAFYGAQP-UHFFFAOYSA-N 0 2 401.843 3.855 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc2c(c1)CCCO2 ZINC000518293361 1008244016 /nfs/dbraw/zinc/24/40/16/1008244016.db2.gz VOCNDCSODULOKE-UHFFFAOYSA-N 0 2 403.481 3.814 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)sc1C ZINC000540211559 1008337509 /nfs/dbraw/zinc/33/75/09/1008337509.db2.gz VHTAHZSVKPFFOD-UHFFFAOYSA-N 0 2 408.545 3.937 20 0 HHADLN COCc1ccc(S(=O)(=O)Nc2nnc(SCc3cccs3)s2)cc1 ZINC000540331278 1008383697 /nfs/dbraw/zinc/38/36/97/1008383697.db2.gz LMBBUUHUIBJLKQ-UHFFFAOYSA-N 0 2 413.571 3.839 20 0 HHADLN Cc1nn(-c2ccccc2)c2nc(C(=O)N=c3nc(-c4ccsc4)[nH]s3)ccc12 ZINC000518786828 1008419777 /nfs/dbraw/zinc/41/97/77/1008419777.db2.gz AWIIIIPWMBUNNL-UHFFFAOYSA-N 0 2 418.507 3.983 20 0 HHADLN Cc1ccc(Cn2nccc2NS(=O)(=O)c2cc(Br)ccc2F)o1 ZINC000518860885 1008450177 /nfs/dbraw/zinc/45/01/77/1008450177.db2.gz RXUROQRBZAMSPJ-UHFFFAOYSA-N 0 2 414.256 3.535 20 0 HHADLN NC(=O)CCSc1ccccc1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000519092489 1008528706 /nfs/dbraw/zinc/52/87/06/1008528706.db2.gz LZNQNKMYPCRAED-UHFFFAOYSA-N 0 2 405.328 3.762 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2c(-c3cccnc3)nc3ccccn32)c(C)c1F ZINC000543031960 1008615006 /nfs/dbraw/zinc/61/50/06/1008615006.db2.gz CCIYHRZEQWLAMF-UHFFFAOYSA-N 0 2 412.446 3.653 20 0 HHADLN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1cncnc1-c1ccccc1 ZINC000543041438 1008622916 /nfs/dbraw/zinc/62/29/16/1008622916.db2.gz ODCXVKDBPXNTKV-UHFFFAOYSA-N 0 2 421.258 3.944 20 0 HHADLN COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000519231801 1008638742 /nfs/dbraw/zinc/63/87/42/1008638742.db2.gz MSCZNNFSXYAXAS-UHFFFAOYSA-N 0 2 419.286 3.770 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccccc1F)c1ccc(OC(F)(F)F)cc1 ZINC000519290503 1008701935 /nfs/dbraw/zinc/70/19/35/1008701935.db2.gz VHHUWVHTPFXVIZ-UHFFFAOYSA-N 0 2 415.368 3.770 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000543165211 1008740259 /nfs/dbraw/zinc/74/02/59/1008740259.db2.gz VRBNQBNMXIYTJK-UHFFFAOYSA-N 0 2 414.531 3.931 20 0 HHADLN C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC(C)(C)C1 ZINC000543326708 1008909833 /nfs/dbraw/zinc/90/98/33/1008909833.db2.gz KZKZFUBHGAQHRD-ZDUSSCGKSA-N 0 2 408.549 3.844 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000545830844 1008915505 /nfs/dbraw/zinc/91/55/05/1008915505.db2.gz IEAYEQCWCUFMIJ-UHFFFAOYSA-N 0 2 407.822 3.767 20 0 HHADLN CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccccc1OCCOC ZINC000545830705 1008915901 /nfs/dbraw/zinc/91/59/01/1008915901.db2.gz DQNHOTJJBCGYDY-UHFFFAOYSA-N 0 2 419.421 3.930 20 0 HHADLN CNC(=O)c1ccc(S(=O)(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)cc1 ZINC000519610997 1008928131 /nfs/dbraw/zinc/92/81/31/1008928131.db2.gz JLJCCCATVXVJEG-UHFFFAOYSA-N 0 2 407.904 3.624 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)ccc1-c1ccccc1 ZINC000545850930 1008937660 /nfs/dbraw/zinc/93/76/60/1008937660.db2.gz LUKJSCUNKNNKBF-UHFFFAOYSA-N 0 2 401.509 3.866 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3cnc(N4CCCC[C@@H]4C)c(C)c3)cc12 ZINC000545858400 1008945566 /nfs/dbraw/zinc/94/55/66/1008945566.db2.gz CRRIVLNVVCKUFS-AWEZNQCLSA-N 0 2 415.519 3.668 20 0 HHADLN C[NH+](C)C[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000549457213 1009049523 /nfs/dbraw/zinc/04/95/23/1009049523.db2.gz RFJGXLBFTAMBSL-NRFANRHFSA-N 0 2 411.937 3.687 20 0 HHADLN O=S(=O)(Nc1cccc(-c2nnco2)c1)c1cc(F)c(Br)cc1F ZINC000546087664 1009112467 /nfs/dbraw/zinc/11/24/67/1009112467.db2.gz CHHVBTXHXCVTSM-UHFFFAOYSA-N 0 2 416.203 3.578 20 0 HHADLN CCCOCc1ccccc1CNC(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000543615412 1009219745 /nfs/dbraw/zinc/21/97/45/1009219745.db2.gz BKKRUDUNEHMMSE-UHFFFAOYSA-N 0 2 412.515 3.884 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)Nc3cc(OC)c(OC)cc3C)s[nH]2)c1 ZINC000543617473 1009222399 /nfs/dbraw/zinc/22/23/99/1009222399.db2.gz XMPUXTSBQCIDPF-UHFFFAOYSA-N 0 2 400.460 3.605 20 0 HHADLN CC(C)(C)Cc1csc(NS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)n1 ZINC000543641483 1009245237 /nfs/dbraw/zinc/24/52/37/1009245237.db2.gz NYTIDZJWJUXVOV-UHFFFAOYSA-N 0 2 419.572 3.758 20 0 HHADLN CCCc1csc(NS(=O)(=O)c2cc(Br)cc3c2OCC3)n1 ZINC000543642299 1009246099 /nfs/dbraw/zinc/24/60/99/1009246099.db2.gz VYJNFGAFEGAAIS-UHFFFAOYSA-N 0 2 403.323 3.594 20 0 HHADLN Cc1cnn(CC2CCN(C(=O)N=c3nc(-c4ccccc4Cl)[nH]s3)CC2)c1 ZINC000543655319 1009261159 /nfs/dbraw/zinc/26/11/59/1009261159.db2.gz CNXOFWIAPQFDKX-UHFFFAOYSA-N 0 2 416.938 3.729 20 0 HHADLN CCn1cc(C2CCN(C(=O)N=c3nc(-c4ccccc4Cl)[nH]s3)CC2)cn1 ZINC000543656024 1009262198 /nfs/dbraw/zinc/26/21/98/1009262198.db2.gz KPOKDEGEIVTHDG-UHFFFAOYSA-N 0 2 416.938 3.908 20 0 HHADLN C[C@H](O)C[C@@H](CNC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccccc1 ZINC000543656323 1009263551 /nfs/dbraw/zinc/26/35/51/1009263551.db2.gz NFDAXNRSWOEXPN-BBRMVZONSA-N 0 2 416.934 3.957 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)cc1O)c1cc(Br)cc2c1OCC2 ZINC000543662236 1009271261 /nfs/dbraw/zinc/27/12/61/1009271261.db2.gz INDQQEYLZZGVRH-UHFFFAOYSA-N 0 2 404.669 3.544 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2[nH]nc(C)c2-c2ccc3c(c2)OCO3)c(C)c1 ZINC000543690514 1009299319 /nfs/dbraw/zinc/29/93/19/1009299319.db2.gz SVMDXHQCEOCJDT-UHFFFAOYSA-N 0 2 415.471 3.622 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2-n2cccn2)c(F)c1 ZINC000520186415 1009328553 /nfs/dbraw/zinc/32/85/53/1009328553.db2.gz MFDRXDDVYCKLRN-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN Cc1cc(C)n(Cc2cccc(C(=O)Nc3cc(-c4n[nH]c(=O)[nH]4)ccc3C)c2)n1 ZINC000549709897 1009339792 /nfs/dbraw/zinc/33/97/92/1009339792.db2.gz VOXYLQQXWPBVSX-UHFFFAOYSA-N 0 2 402.458 3.600 20 0 HHADLN O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000549764764 1009380794 /nfs/dbraw/zinc/38/07/94/1009380794.db2.gz MDFRRNWWLXYJMH-INIZCTEOSA-N 0 2 415.453 3.852 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(-c3nc([C@H]4C[C@@H]4C)no3)ccc2F)cc1 ZINC000546479083 1009500061 /nfs/dbraw/zinc/50/00/61/1009500061.db2.gz OYCAXVDSVGRQCR-NHYWBVRUSA-N 0 2 403.435 3.809 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(-c3nc([C@@H]4C[C@H]4C)no3)ccc2F)cc1 ZINC000546479080 1009500183 /nfs/dbraw/zinc/50/01/83/1009500183.db2.gz OYCAXVDSVGRQCR-IAQYHMDHSA-N 0 2 403.435 3.809 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc([C@H]3CCCCS3)no2)cc1 ZINC000546521467 1009542865 /nfs/dbraw/zinc/54/28/65/1009542865.db2.gz SYBKFVIHKPPBRY-CYBMUJFWSA-N 0 2 408.530 3.952 20 0 HHADLN Cc1ccccc1CS(=O)(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 ZINC000546562934 1009585397 /nfs/dbraw/zinc/58/53/97/1009585397.db2.gz QKFKAHSQSYQFKI-UHFFFAOYSA-N 0 2 413.524 3.945 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000546563479 1009586580 /nfs/dbraw/zinc/58/65/80/1009586580.db2.gz CFSOQIIDBSUYLW-UHFFFAOYSA-N 0 2 404.513 3.560 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2)cc1C ZINC000546629401 1009639367 /nfs/dbraw/zinc/63/93/67/1009639367.db2.gz CRUBJTBLNNFXGB-UHFFFAOYSA-N 0 2 416.524 3.905 20 0 HHADLN Cc1cc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)n(Cc2ccccc2)n1 ZINC000544079050 1009683870 /nfs/dbraw/zinc/68/38/70/1009683870.db2.gz KKLTZOFNGWKJBJ-UHFFFAOYSA-N 0 2 401.536 3.510 20 0 HHADLN O=C(CNC(=O)c1ccc(Br)s1)Nc1cc(Cl)cc(Cl)c1O ZINC000546716955 1009697305 /nfs/dbraw/zinc/69/73/05/1009697305.db2.gz JCUQGEVGFVSLCI-UHFFFAOYSA-N 0 2 424.103 3.892 20 0 HHADLN Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)n1 ZINC000544095254 1009704548 /nfs/dbraw/zinc/70/45/48/1009704548.db2.gz QXBIPJLALVIVAP-UHFFFAOYSA-N 0 2 401.536 3.759 20 0 HHADLN Brc1cccc(-c2nc(C[NH2+]C3(c4nnn[n-]4)CCCC3)cs2)c1 ZINC000546741907 1009710404 /nfs/dbraw/zinc/71/04/04/1009710404.db2.gz ARZAGARDXBABOF-UHFFFAOYSA-N 0 2 405.325 3.645 20 0 HHADLN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2O)c1 ZINC000546856824 1009818005 /nfs/dbraw/zinc/81/80/05/1009818005.db2.gz INMMMUCRZFKHQB-UHFFFAOYSA-N 0 2 417.314 3.623 20 0 HHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000546859232 1009820424 /nfs/dbraw/zinc/82/04/24/1009820424.db2.gz IJCGFRSTTMBKPN-MRVPVSSYSA-N 0 2 401.196 3.969 20 0 HHADLN COc1ccc(C(C)=O)cc1CC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000520966123 1010010244 /nfs/dbraw/zinc/01/02/44/1010010244.db2.gz PELCJVBINYFLJT-UHFFFAOYSA-N 0 2 401.875 3.673 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)C1(Cc2cccc(F)c2)CCOCC1 ZINC000550543027 1010015192 /nfs/dbraw/zinc/01/51/92/1010015192.db2.gz GSQXVZZSGYPUAE-UHFFFAOYSA-N 0 2 403.504 3.806 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)C(=O)N[C@H](CCC(C)C)C(C)(C)C)s[nH]2)c1 ZINC000544502976 1010124886 /nfs/dbraw/zinc/12/48/86/1010124886.db2.gz AFPNAADKKBLCRW-MRXNPFEDSA-N 0 2 418.563 3.541 20 0 HHADLN COc1ccc(Nc2cc(N(C)Cc3nc(=O)c4sccc4[nH]3)ncn2)c(OC)c1 ZINC000521129410 1010152464 /nfs/dbraw/zinc/15/24/64/1010152464.db2.gz TUFANINJNWHZSM-UHFFFAOYSA-N 0 2 424.486 3.584 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cccc(Br)c2Cl)nc2c1CCCC2 ZINC000550806564 1010191290 /nfs/dbraw/zinc/19/12/90/1010191290.db2.gz CJPAGNIYOXUYQF-UHFFFAOYSA-N 0 2 416.728 3.881 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](c3ccccc3)[C@H]3CCOC3)s[nH]2)c1 ZINC000544594499 1010220453 /nfs/dbraw/zinc/22/04/53/1010220453.db2.gz NNQVMLWPRIFMFK-FUHWJXTLSA-N 0 2 410.499 3.535 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NC(C)(C)c3nc(C)c(C)s3)s[nH]2)c1 ZINC000544601241 1010227894 /nfs/dbraw/zinc/22/78/94/1010227894.db2.gz ZSYZSHHFAWKMQE-UHFFFAOYSA-N 0 2 403.533 3.766 20 0 HHADLN COC(=O)[C@@H](C)Sc1ccccc1C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000544628403 1010251373 /nfs/dbraw/zinc/25/13/73/1010251373.db2.gz AZJAKAADKSPMLR-LLVKDONJSA-N 0 2 400.435 3.517 20 0 HHADLN COC(=O)[C@H](C)Sc1ccccc1C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000544628404 1010251440 /nfs/dbraw/zinc/25/14/40/1010251440.db2.gz AZJAKAADKSPMLR-NSHDSACASA-N 0 2 400.435 3.517 20 0 HHADLN CC[C@@H]1CN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)[C@@H](CC)CN1C(C)=O ZINC000544635436 1010259471 /nfs/dbraw/zinc/25/94/71/1010259471.db2.gz KWOOUCKIHMLQPB-KGLIPLIRSA-N 0 2 421.954 3.534 20 0 HHADLN C[C@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)[C@@H]1COc2ccccc21 ZINC000544636885 1010261113 /nfs/dbraw/zinc/26/11/13/1010261113.db2.gz ZDYNUZVHZFQVNG-NHYWBVRUSA-N 0 2 400.891 3.967 20 0 HHADLN CCc1ccc([C@@H](COC)NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)o1 ZINC000544638168 1010262052 /nfs/dbraw/zinc/26/20/52/1010262052.db2.gz WKIKBKFCNCFMMD-CQSZACIVSA-N 0 2 406.895 3.945 20 0 HHADLN CCc1ccc([C@@H](COC)NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)o1 ZINC000544638952 1010264137 /nfs/dbraw/zinc/26/41/37/1010264137.db2.gz VYNYBRNXAYJGLP-CQSZACIVSA-N 0 2 406.895 3.945 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)s1 ZINC000544665990 1010284421 /nfs/dbraw/zinc/28/44/21/1010284421.db2.gz IXGAGBXVRXBMHC-LBPRGKRZSA-N 0 2 413.826 3.770 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(-c3nc(-c4ccco4)no3)ccc2F)cc1 ZINC000551037860 1010331321 /nfs/dbraw/zinc/33/13/21/1010331321.db2.gz KVQDJPGZQGYALZ-UHFFFAOYSA-N 0 2 415.402 3.945 20 0 HHADLN O=C(CC1CCCCC1)NC1CCC(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)CC1 ZINC000547538752 1010344395 /nfs/dbraw/zinc/34/43/95/1010344395.db2.gz QGEWXLGHOKBPFC-UHFFFAOYSA-N 0 2 403.479 3.884 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)COc1c(C)cccc1C ZINC000521383246 1010347298 /nfs/dbraw/zinc/34/72/98/1010347298.db2.gz VVCHXXARBDFAMQ-NRFANRHFSA-N 0 2 421.541 3.922 20 0 HHADLN COc1ccccc1[C@H](NC(=O)C1=NN(c2ccccc2)CC1=O)c1ccccn1 ZINC000551107100 1010372843 /nfs/dbraw/zinc/37/28/43/1010372843.db2.gz YPHZIKZUAHXWNM-NRFANRHFSA-N 0 2 400.438 3.501 20 0 HHADLN CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2c(Cl)cccc2C(=O)OC)c1 ZINC000551107497 1010373919 /nfs/dbraw/zinc/37/39/19/1010373919.db2.gz SQASGKFJTKYPCF-UHFFFAOYSA-N 0 2 410.879 3.584 20 0 HHADLN Cc1sc2ncnc(SCCC(=O)N=c3nc(C(C)(C)C)[nH]s3)c2c1C ZINC000521519608 1010432790 /nfs/dbraw/zinc/43/27/90/1010432790.db2.gz BOFPOAPTGJZNGG-UHFFFAOYSA-N 0 2 407.590 4.000 20 0 HHADLN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)c(C)c1 ZINC000521539900 1010449746 /nfs/dbraw/zinc/44/97/46/1010449746.db2.gz WTBUFVZEXNNWSH-NSHDSACASA-N 0 2 400.422 3.741 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(-c3n[nH]c4ccccc43)no2)cc1 ZINC000544952319 1010515314 /nfs/dbraw/zinc/51/53/14/1010515314.db2.gz SAKUPQLBOQNZOM-UHFFFAOYSA-N 0 2 424.467 3.537 20 0 HHADLN COc1c(NS(=O)(=O)c2cccc(Cl)c2)cc(Cl)cc1C(=O)N(C)C ZINC000551444791 1010589228 /nfs/dbraw/zinc/58/92/28/1010589228.db2.gz JTMZXQLSEVYIJE-UHFFFAOYSA-N 0 2 403.287 3.505 20 0 HHADLN Cc1ccc(Cn2cccc(NS(=O)(=O)c3c(Cl)ccc(F)c3F)c2=O)cc1 ZINC000551467110 1010603290 /nfs/dbraw/zinc/60/32/90/1010603290.db2.gz RKLLDXCZPOFXDH-UHFFFAOYSA-N 0 2 424.856 3.937 20 0 HHADLN COc1c(NS(=O)(=O)c2ccccc2-c2ccccc2)cc(Cl)cc1C(N)=O ZINC000551477565 1010611626 /nfs/dbraw/zinc/61/16/26/1010611626.db2.gz PXNFTCVFNQVNTE-UHFFFAOYSA-N 0 2 416.886 3.915 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@H]1CCCOc2ccc(F)cc21 ZINC000548508130 1010649941 /nfs/dbraw/zinc/64/99/41/1010649941.db2.gz QVLPZHPVRRBBMJ-ZDUSSCGKSA-N 0 2 402.451 3.591 20 0 HHADLN COc1ccc(-c2cnc(CCC(=O)Nc3nc(-c4ccccc4F)n[nH]3)o2)cc1 ZINC000521889875 1010688349 /nfs/dbraw/zinc/68/83/49/1010688349.db2.gz MKALVDBNCCDCLU-UHFFFAOYSA-N 0 2 407.405 3.846 20 0 HHADLN COc1ccc([C@H](Cc2ccc(F)cc2)NS(=O)(=O)[C@@H](C)C(F)(F)F)cc1 ZINC000545385134 1010767126 /nfs/dbraw/zinc/76/71/26/1010767126.db2.gz WRCQBOUHAHNQHH-SJCJKPOMSA-N 0 2 405.413 3.988 20 0 HHADLN COC(=O)C[C@@H](C)SCc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[nH]1 ZINC000522333808 1010936907 /nfs/dbraw/zinc/93/69/07/1010936907.db2.gz ULJUFWFURHKHMX-LLVKDONJSA-N 0 2 404.513 3.845 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc4cc(Cl)ccc4s3)cc21 ZINC000522440474 1011013664 /nfs/dbraw/zinc/01/36/64/1011013664.db2.gz OJTFDHNAFZHCOC-UHFFFAOYSA-N 0 2 407.904 3.660 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1N(C)C ZINC000522440533 1011013836 /nfs/dbraw/zinc/01/38/36/1011013836.db2.gz QKPIFEMGRVDTQU-UHFFFAOYSA-N 0 2 404.458 3.966 20 0 HHADLN COc1cccc(CNC(=O)N=c2nc(C(C)(C)C)[nH]s2)c1OC1CCCC1 ZINC000522622171 1011119628 /nfs/dbraw/zinc/11/96/28/1011119628.db2.gz ZBKBHDKZAVPIRK-UHFFFAOYSA-N 0 2 404.536 3.909 20 0 HHADLN CC(C)c1csc(NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)n1 ZINC000536138471 1011262026 /nfs/dbraw/zinc/26/20/26/1011262026.db2.gz VHODFLNXAWQQSP-UHFFFAOYSA-N 0 2 415.606 3.834 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4c[nH]nc4c3)cc2)c(C)o1 ZINC000540647150 1011297392 /nfs/dbraw/zinc/29/73/92/1011297392.db2.gz GWYRGEFOYXSCTR-UHFFFAOYSA-N 0 2 410.455 3.826 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)cc1 ZINC000540650599 1011302781 /nfs/dbraw/zinc/30/27/81/1011302781.db2.gz YVFMVECCORHXJU-UHFFFAOYSA-N 0 2 419.478 3.536 20 0 HHADLN CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000523083589 1011554869 /nfs/dbraw/zinc/55/48/69/1011554869.db2.gz LIIIUTVFHYQWLT-UHFFFAOYSA-N 0 2 415.346 3.552 20 0 HHADLN CCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)sc1C ZINC000540908187 1011578617 /nfs/dbraw/zinc/57/86/17/1011578617.db2.gz GEUWISFQAODKAZ-UHFFFAOYSA-N 0 2 408.530 3.524 20 0 HHADLN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cn1 ZINC000536701462 1011871216 /nfs/dbraw/zinc/87/12/16/1011871216.db2.gz WGOSKPFUBGIAIL-UHFFFAOYSA-N 0 2 408.785 3.731 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1c2c(nn1-c1ccccc1)CCC2 ZINC000541286334 1011982278 /nfs/dbraw/zinc/98/22/78/1011982278.db2.gz SJTAMHMLZXWGNS-UHFFFAOYSA-N 0 2 413.547 3.631 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(Br)c(F)c1 ZINC000541306825 1012013263 /nfs/dbraw/zinc/01/32/63/1012013263.db2.gz FOZYNAJHKROPCP-UHFFFAOYSA-N 0 2 404.305 3.858 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1cccc(OCC(F)(F)F)n1 ZINC000523507574 1012030238 /nfs/dbraw/zinc/03/02/38/1012030238.db2.gz CIEPBYGDTCVLCK-UHFFFAOYSA-N 0 2 414.796 3.869 20 0 HHADLN CN(C)C(=O)c1cccc(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1 ZINC000523534289 1012065023 /nfs/dbraw/zinc/06/50/23/1012065023.db2.gz YNBMDBGQZPVXKT-UHFFFAOYSA-N 0 2 406.813 3.861 20 0 HHADLN Cn1cc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c(-c2ccccc2)n1 ZINC000536896196 1012151012 /nfs/dbraw/zinc/15/10/12/1012151012.db2.gz FYQUSFYFHAORQF-UHFFFAOYSA-N 0 2 418.478 3.631 20 0 HHADLN COc1ccc(-c2n[nH]c(NC(=O)c3csc(-c4ccc(C)o4)n3)n2)c(OC)c1 ZINC000523666328 1012261202 /nfs/dbraw/zinc/26/12/02/1012261202.db2.gz ZNNPORXKDYVAMG-UHFFFAOYSA-N 0 2 411.443 3.766 20 0 HHADLN O=C(CCCOc1cccc(Br)c1)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552284826 1012296366 /nfs/dbraw/zinc/29/63/66/1012296366.db2.gz NNPVHKPUIGUUHG-UHFFFAOYSA-N 0 2 417.263 3.738 20 0 HHADLN C[C@]1(CCC(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)CCC(=O)N1 ZINC000541516094 1012297733 /nfs/dbraw/zinc/29/77/33/1012297733.db2.gz DSDUCBMKWDKMOB-QFIPXVFZSA-N 0 2 422.510 3.807 20 0 HHADLN C[C@@H](Oc1ccccc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O)c1ccccc1 ZINC000523729873 1012346647 /nfs/dbraw/zinc/34/66/47/1012346647.db2.gz RDPKEFCBQLBQJR-CQSZACIVSA-N 0 2 422.462 3.511 20 0 HHADLN COCC1(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3)c(F)cc2C)CCC1 ZINC000552543360 1012558366 /nfs/dbraw/zinc/55/83/66/1012558366.db2.gz ZJBGHNZLZBEDAE-UHFFFAOYSA-N 0 2 406.479 3.690 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)c1 ZINC000537195430 1012610292 /nfs/dbraw/zinc/61/02/92/1012610292.db2.gz XERRGZZMMDOYLC-UHFFFAOYSA-N 0 2 412.467 3.762 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2ccc3nc(Cc4ccccc4)oc3c2)c1 ZINC000537196701 1012613253 /nfs/dbraw/zinc/61/32/53/1012613253.db2.gz IWCYFIKBRGRCDS-UHFFFAOYSA-N 0 2 410.451 3.934 20 0 HHADLN COc1cc(NS(=O)(=O)c2cccc(F)c2F)cc(OC)c1Br ZINC000537197033 1012613775 /nfs/dbraw/zinc/61/37/75/1012613775.db2.gz HGTHUMFZYSHADW-UHFFFAOYSA-N 0 2 408.220 3.545 20 0 HHADLN COc1ccc(Oc2cc(CNC(=O)N=c3nc(C(C)(C)C)[nH]s3)ccn2)cc1 ZINC000523926610 1012652503 /nfs/dbraw/zinc/65/25/03/1012652503.db2.gz UGGGZSLIUMICCA-UHFFFAOYSA-N 0 2 413.503 3.775 20 0 HHADLN CC(C)C[C@H](C)n1nccc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000541785850 1012655553 /nfs/dbraw/zinc/65/55/53/1012655553.db2.gz LQJBGGZMKVTNOO-HNNXBMFYSA-N 0 2 416.547 3.516 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCOC[C@H]1c1ccccc1 ZINC000541796659 1012671868 /nfs/dbraw/zinc/67/18/68/1012671868.db2.gz ZNPUOZBFZKJPKY-INIZCTEOSA-N 0 2 400.891 3.886 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000541796351 1012671927 /nfs/dbraw/zinc/67/19/27/1012671927.db2.gz HOEBJQPKYUDRJC-BPLDGKMQSA-N 0 2 404.923 3.750 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000541796354 1012672410 /nfs/dbraw/zinc/67/24/10/1012672410.db2.gz HOEBJQPKYUDRJC-YUELXQCFSA-N 0 2 404.923 3.750 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000541797700 1012673717 /nfs/dbraw/zinc/67/37/17/1012673717.db2.gz YNMPLVKIJRVIRN-GJZGRUSLSA-N 0 2 402.911 3.782 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCCOc1ccc(Cl)cn1 ZINC000541798358 1012675599 /nfs/dbraw/zinc/67/55/99/1012675599.db2.gz ASCOXFBRGJCQOC-UHFFFAOYSA-N 0 2 410.286 3.529 20 0 HHADLN Cc1ccc(Cl)c2ccc(NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)nc12 ZINC000537261199 1012711255 /nfs/dbraw/zinc/71/12/55/1012711255.db2.gz YXKGMAPQELFOTP-UHFFFAOYSA-N 0 2 415.902 3.890 20 0 HHADLN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000552727364 1012736775 /nfs/dbraw/zinc/73/67/75/1012736775.db2.gz XNOWOWHAORNVIR-UHFFFAOYSA-N 0 2 423.366 3.930 20 0 HHADLN COC(=O)c1cc(C)nc(Oc2ccc(NS(=O)(=O)c3ccc(C)s3)cc2)n1 ZINC000552938130 1012930626 /nfs/dbraw/zinc/93/06/26/1012930626.db2.gz ZYZNMFXIFGBTOW-UHFFFAOYSA-N 0 2 419.484 3.535 20 0 HHADLN CC(=O)Nc1ccc2nc(NS(=O)(=O)c3ccc(OC(C)C)cc3)sc2c1 ZINC000552950440 1012936514 /nfs/dbraw/zinc/93/65/14/1012936514.db2.gz PSVCTCJCVGDYQH-UHFFFAOYSA-N 0 2 405.501 3.843 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cccc(COCc3ccco3)c2)cc1OC ZINC000614840346 1071756890 /nfs/dbraw/zinc/75/68/90/1071756890.db2.gz BSUDTOPRAGMDKU-UHFFFAOYSA-N 0 2 421.446 3.954 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)c1 ZINC000760269701 1071815187 /nfs/dbraw/zinc/81/51/87/1071815187.db2.gz KLRJWAMDPBXFAF-UHFFFAOYSA-N 0 2 419.478 3.597 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)NC2(C(F)(F)F)CCC2)c(Cl)cc1Cl ZINC000760616674 1072053895 /nfs/dbraw/zinc/05/38/95/1072053895.db2.gz MTEGILNVXWHZNR-UHFFFAOYSA-N 0 2 406.209 3.543 20 0 HHADLN O=S(=O)(Nc1cnn(Cc2ccncc2)c1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488235882 1072152136 /nfs/dbraw/zinc/15/21/36/1072152136.db2.gz UKXWWJPXHXBOFY-UHFFFAOYSA-N 0 2 416.812 3.799 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cccc(-c3csc(C)n3)c2)c(OC)c1 ZINC000488244716 1072160702 /nfs/dbraw/zinc/16/07/02/1072160702.db2.gz DJNRVRVOIDQURC-UHFFFAOYSA-N 0 2 420.512 3.945 20 0 HHADLN CCOC(=O)c1c(NC(=O)c2cccc(Cl)c2O)cc(OC)c(OC)c1OC ZINC001127033047 1072174881 /nfs/dbraw/zinc/17/48/81/1072174881.db2.gz ZNZRMPMXUVWZJN-UHFFFAOYSA-N 0 2 409.822 3.500 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CCCC[C@H]3C)ccc2F)cc1 ZINC000913419219 1072391220 /nfs/dbraw/zinc/39/12/20/1072391220.db2.gz GMJZIVXTNIMAJP-AUUYWEPGSA-N 0 2 420.506 3.944 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCCC[C@H]3C)ccc2F)cc1 ZINC000913419221 1072391266 /nfs/dbraw/zinc/39/12/66/1072391266.db2.gz GMJZIVXTNIMAJP-KUHUBIRLSA-N 0 2 420.506 3.944 20 0 HHADLN CCCN(CC1CC1)C(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000913428650 1072391760 /nfs/dbraw/zinc/39/17/60/1072391760.db2.gz CVSQZVPEANNZSA-UHFFFAOYSA-N 0 2 420.506 3.897 20 0 HHADLN O=C(N[C@@H]1COc2cccc(Br)c2C1)c1cc(F)cc(Cl)c1O ZINC001648994276 1072422802 /nfs/dbraw/zinc/42/28/02/1072422802.db2.gz IVRJOBWXYHHWGM-VIFPVBQESA-N 0 2 400.631 3.681 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1c(F)ccc(O)c1F ZINC000571325772 1072602960 /nfs/dbraw/zinc/60/29/60/1072602960.db2.gz RIHWTDVIUPHRPS-OAHLLOKOSA-N 0 2 415.440 3.523 20 0 HHADLN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1c(F)ccc(O)c1F ZINC000571325772 1072602968 /nfs/dbraw/zinc/60/29/68/1072602968.db2.gz RIHWTDVIUPHRPS-OAHLLOKOSA-N 0 2 415.440 3.523 20 0 HHADLN O=S(=O)(Nc1ccc2c(c1)ncn2-c1ccccc1)c1cnn(CC(F)(F)F)c1 ZINC000479135556 1072744967 /nfs/dbraw/zinc/74/49/67/1072744967.db2.gz ILISLSJINQWANV-UHFFFAOYSA-N 0 2 421.404 3.585 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000479149949 1072772527 /nfs/dbraw/zinc/77/25/27/1072772527.db2.gz KWDNOLXKJNLQHS-UHFFFAOYSA-N 0 2 421.906 3.946 20 0 HHADLN O=S(=O)(Nc1cncnc1-c1ccccc1)c1cccc(Br)c1F ZINC000571809365 1072859942 /nfs/dbraw/zinc/85/99/42/1072859942.db2.gz YERRXDICPFSBOG-UHFFFAOYSA-N 0 2 408.252 3.846 20 0 HHADLN O=S(=O)(Nc1noc(-c2cccs2)n1)c1ccc(C(F)(F)F)cc1Cl ZINC000571971350 1072960684 /nfs/dbraw/zinc/96/06/84/1072960684.db2.gz KVATZHVXONHAAD-UHFFFAOYSA-N 0 2 409.798 4.271 20 0 HHADLN Cc1cccc(NC(=O)[C@H](C)S(=O)(=O)c2n[nH]c(-c3ccc(Cl)cc3)n2)c1C ZINC000571984937 1072963501 /nfs/dbraw/zinc/96/35/01/1072963501.db2.gz ZSPVEUKOPFRDKK-ZDUSSCGKSA-N 0 2 418.906 3.543 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1(C(F)F)CCCC1 ZINC000572219474 1073228853 /nfs/dbraw/zinc/22/88/53/1073228853.db2.gz VLPWFOKPHTXTGC-UHFFFAOYSA-N 0 2 401.460 3.708 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000572414353 1073256059 /nfs/dbraw/zinc/25/60/59/1073256059.db2.gz SHDCJHPVHUJROC-CABCVRRESA-N 0 2 404.923 3.846 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)NCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000555345961 1073356490 /nfs/dbraw/zinc/35/64/90/1073356490.db2.gz WMPLEMHFDFPLFT-UHFFFAOYSA-N 0 2 421.526 3.575 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C2CCC(NC(=O)CC3CCCCC3)CC2)s[nH]1 ZINC000589937689 1073422511 /nfs/dbraw/zinc/42/25/11/1073422511.db2.gz QAEKBSSUNUFGME-UHFFFAOYSA-N 0 2 406.596 3.841 20 0 HHADLN Cn1c2ccc(S(=O)(=O)Nc3cc(F)ccc3Oc3ccccc3)cc2oc1=O ZINC000589938780 1073424193 /nfs/dbraw/zinc/42/41/93/1073424193.db2.gz ICOVIMHLHYMUJZ-UHFFFAOYSA-N 0 2 414.414 3.864 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cccc(OCC(F)(F)F)c2C)cc1OC ZINC000589939834 1073425115 /nfs/dbraw/zinc/42/51/15/1073425115.db2.gz XUGVCMHXKDUKRF-UHFFFAOYSA-N 0 2 423.384 3.893 20 0 HHADLN O=S(=O)(N[C@H](c1nccs1)C(F)(F)F)c1ccc(Br)cc1F ZINC000555412981 1073435630 /nfs/dbraw/zinc/43/56/30/1073435630.db2.gz AAKJXJFWGPMHBV-SECBINFHSA-N 0 2 419.219 3.627 20 0 HHADLN O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000555529320 1073602195 /nfs/dbraw/zinc/60/21/95/1073602195.db2.gz ATLDWQXWARQAJV-UHFFFAOYSA-N 0 2 402.376 3.614 20 0 HHADLN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000590405263 1073789819 /nfs/dbraw/zinc/78/98/19/1073789819.db2.gz WIHJNMQFPAGNKL-UHFFFAOYSA-N 0 2 412.812 3.886 20 0 HHADLN O=C1CCCN1Cc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000590694629 1073981763 /nfs/dbraw/zinc/98/17/63/1073981763.db2.gz LDBVJNNUAIJCSE-UHFFFAOYSA-N 0 2 416.396 3.768 20 0 HHADLN CCOC(=O)c1cccc(S(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)c1 ZINC000555952808 1073999132 /nfs/dbraw/zinc/99/91/32/1073999132.db2.gz TWJFNUKDYPQONS-UHFFFAOYSA-N 0 2 420.487 3.851 20 0 HHADLN CCOc1cn(-c2ccccc2)nc1C(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000590837993 1074012420 /nfs/dbraw/zinc/01/24/20/1074012420.db2.gz VUXYNRYBHHFLML-UHFFFAOYSA-N 0 2 408.849 3.962 20 0 HHADLN Cn1ccnc1Sc1ccc(F)cc1NS(=O)(=O)Cc1c(F)cccc1F ZINC000556040623 1074060783 /nfs/dbraw/zinc/06/07/83/1074060783.db2.gz YTDOTWKDVZGWQO-UHFFFAOYSA-N 0 2 413.446 3.931 20 0 HHADLN CCCN(Cc1ccccc1Br)C(=O)C(C)(C)NC(=O)C(F)(F)F ZINC000757986400 1074089815 /nfs/dbraw/zinc/08/98/15/1074089815.db2.gz OKLQZGAEURAISV-UHFFFAOYSA-N 0 2 409.246 3.645 20 0 HHADLN CCCCOc1ccc(-c2nnc(NS(=O)(=O)c3ccc4c(c3)COC4)o2)cc1 ZINC000573171193 1074246647 /nfs/dbraw/zinc/24/66/47/1074246647.db2.gz UFUVBZOTRSMTSS-UHFFFAOYSA-N 0 2 415.471 3.747 20 0 HHADLN Cn1ncc(NS(=O)(=O)c2cc(Br)ccc2F)c1-c1ccccc1 ZINC000573160337 1074254582 /nfs/dbraw/zinc/25/45/82/1074254582.db2.gz CBIKFAMRFRHZAR-UHFFFAOYSA-N 0 2 410.268 3.790 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c(F)c1 ZINC000591678699 1074461926 /nfs/dbraw/zinc/46/19/26/1074461926.db2.gz LCPRXUDFYKRJAT-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c(F)c1 ZINC000591680186 1074483547 /nfs/dbraw/zinc/48/35/47/1074483547.db2.gz CCWOLHGQKWKZPW-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN O=C(c1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1)N1CCCCCC1 ZINC000591797435 1074545805 /nfs/dbraw/zinc/54/58/05/1074545805.db2.gz QZWOHMPICGBJNG-UHFFFAOYSA-N 0 2 412.433 3.921 20 0 HHADLN CC(C)c1[nH]nc(C(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)c1Br ZINC000592863646 1075128010 /nfs/dbraw/zinc/12/80/10/1075128010.db2.gz PLVUHXYSIBTNKF-UHFFFAOYSA-N 0 2 409.675 3.986 20 0 HHADLN COc1ccc(CCc2nnc(NS(=O)(=O)c3ccccc3C(C)C)o2)cc1 ZINC000574753726 1075315491 /nfs/dbraw/zinc/31/54/91/1075315491.db2.gz PGVBAMGMVHBGFQ-UHFFFAOYSA-N 0 2 401.488 3.788 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2ccc(OC)c3ncccc23)o1)c1ccccc1 ZINC000575206730 1075484732 /nfs/dbraw/zinc/48/47/32/1075484732.db2.gz ZSMCEQOQUBVMRA-OAHLLOKOSA-N 0 2 424.482 3.969 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2ccc(OC)c3ncccc23)o1)c1ccccc1 ZINC000575206729 1075484739 /nfs/dbraw/zinc/48/47/39/1075484739.db2.gz ZSMCEQOQUBVMRA-HNNXBMFYSA-N 0 2 424.482 3.969 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000596905655 1075598603 /nfs/dbraw/zinc/59/86/03/1075598603.db2.gz RITCXUOJNZTUKG-UHFFFAOYSA-N 0 2 418.397 3.615 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)c1 ZINC000602092800 1075698466 /nfs/dbraw/zinc/69/84/66/1075698466.db2.gz XNYVWYHKBOGIDG-UHFFFAOYSA-N 0 2 424.450 3.600 20 0 HHADLN O=C([O-])[C@@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000780571336 939134700 /nfs/dbraw/zinc/13/47/00/939134700.db2.gz NLGYTIDPBXBEKD-MJGOQNOKSA-N 0 2 419.884 3.569 20 0 HHADLN O=C([O-])[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000780571336 939134701 /nfs/dbraw/zinc/13/47/01/939134701.db2.gz NLGYTIDPBXBEKD-MJGOQNOKSA-N 0 2 419.884 3.569 20 0 HHADLN Cc1sc(Br)cc1S(=O)(=O)Nc1cncc(Br)c1 ZINC000301705116 971035203 /nfs/dbraw/zinc/03/52/03/971035203.db2.gz IXLZQYJYNHJTME-UHFFFAOYSA-N 0 2 412.128 3.777 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000524291713 1013098931 /nfs/dbraw/zinc/09/89/31/1013098931.db2.gz VWVWTLICSSBUQN-UHFFFAOYSA-N 0 2 406.460 3.845 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2noc(-c3cccs3)n2)c(Br)c1 ZINC000537611353 1013151135 /nfs/dbraw/zinc/15/11/35/1013151135.db2.gz VFIJYXGNEXIOLS-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN CC(C)[N@@H+]1CCc2nc([N-]S(=O)(=O)Cc3cccc(C(F)(F)F)c3)sc2C1 ZINC000542217998 1013167574 /nfs/dbraw/zinc/16/75/74/1013167574.db2.gz HOUSYFHAOWCFTJ-UHFFFAOYSA-N 0 2 419.494 3.870 20 0 HHADLN CC(C)[N@H+]1CCc2nc([N-]S(=O)(=O)Cc3cccc(C(F)(F)F)c3)sc2C1 ZINC000542217998 1013167583 /nfs/dbraw/zinc/16/75/83/1013167583.db2.gz HOUSYFHAOWCFTJ-UHFFFAOYSA-N 0 2 419.494 3.870 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc(NC(=S)NC(C)C)ccc1Cl ZINC000006538590 960921361 /nfs/dbraw/zinc/92/13/61/960921361.db2.gz XSXCYURPCMKAMC-UHFFFAOYSA-N 0 2 413.952 3.844 20 0 HHADLN O=S(=O)([N-]c1ccc(-n2cc[nH+]c2)cc1)c1c(F)cccc1OC(F)(F)F ZINC000553436925 1013353556 /nfs/dbraw/zinc/35/35/56/1013353556.db2.gz HHILPCIYGRTGJM-UHFFFAOYSA-N 0 2 401.341 3.711 20 0 HHADLN O=C(CC1S/C(=N\CCc2ccccc2)NC1=O)Nc1ccccc1C(F)(F)F ZINC000021883753 963554193 /nfs/dbraw/zinc/55/41/93/963554193.db2.gz BNAXSHFBZULZGY-MRXNPFEDSA-N 0 2 421.444 3.864 20 0 HHADLN CC1CCN([C@@H](CNS(=O)(=O)c2c(F)cccc2F)c2cccs2)CC1 ZINC000023994502 963917078 /nfs/dbraw/zinc/91/70/78/963917078.db2.gz PBCYLQJTGSDLLJ-INIZCTEOSA-N 0 2 400.516 3.778 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1cccc(NC(=O)c2cccs2)c1 ZINC000024103359 963942649 /nfs/dbraw/zinc/94/26/49/963942649.db2.gz KSKUGDYZULVOLU-UHFFFAOYSA-N 0 2 422.509 3.649 20 0 HHADLN Cc1ccc(Cl)c(OCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1 ZINC000024463153 964003762 /nfs/dbraw/zinc/00/37/62/964003762.db2.gz AKTTZKMFLWLDMK-UHFFFAOYSA-N 0 2 414.845 3.660 20 0 HHADLN CC(C)(C)S(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000052023605 964782917 /nfs/dbraw/zinc/78/29/17/964782917.db2.gz ARLJLXXWZGVNRG-UHFFFAOYSA-N 0 2 419.927 3.993 20 0 HHADLN CCN(Cc1ccccc1)C(=O)c1cc(NS(=O)(=O)c2cn[nH]c2)ccc1Cl ZINC000057119270 965289876 /nfs/dbraw/zinc/28/98/76/965289876.db2.gz NOSSMXDFZHRPMZ-UHFFFAOYSA-N 0 2 418.906 3.526 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1ccc(Cl)nc1 ZINC000057123297 965295655 /nfs/dbraw/zinc/29/56/55/965295655.db2.gz VEJBSSKGIILQQH-LBPRGKRZSA-N 0 2 403.287 3.747 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1cccc2nsnc21 ZINC000057689872 965524044 /nfs/dbraw/zinc/52/40/44/965524044.db2.gz XGKJDAADKLIBKL-UHFFFAOYSA-N 0 2 402.482 3.508 20 0 HHADLN CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)cc3F)n2)cc1 ZINC000057718661 965529787 /nfs/dbraw/zinc/52/97/87/965529787.db2.gz AZNKEOOEDXOOFG-UHFFFAOYSA-N 0 2 409.439 3.848 20 0 HHADLN CC1CCN(C2=NC(=O)C(CC(=O)Nc3ccccc3Br)S2)CC1 ZINC000055117543 965760480 /nfs/dbraw/zinc/76/04/80/965760480.db2.gz PKFQFBYJFVKAHO-CQSZACIVSA-N 0 2 410.337 3.508 20 0 HHADLN C[C@@H]1CCCN(C2=NC(=O)C(CC(=O)Nc3ccccc3Br)S2)C1 ZINC000055117691 965761491 /nfs/dbraw/zinc/76/14/91/965761491.db2.gz NLRLAGYLUYEQKW-BXUZGUMPSA-N 0 2 410.337 3.508 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H]3CCCO[C@@H]3c3ccc(C)cc3)s[nH]2)c1 ZINC000542686905 1013606627 /nfs/dbraw/zinc/60/66/27/1013606627.db2.gz MSBHASYAXUJOCV-RTBURBONSA-N 0 2 424.526 3.986 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2[nH]c1=S ZINC000055530273 965901286 /nfs/dbraw/zinc/90/12/86/965901286.db2.gz GUVHYUQNBICQCX-UHFFFAOYSA-N 0 2 417.918 3.936 20 0 HHADLN Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000055577197 965932153 /nfs/dbraw/zinc/93/21/53/965932153.db2.gz CGPKIEPCLGUBFJ-UHFFFAOYSA-N 0 2 410.499 3.565 20 0 HHADLN O=S(=O)(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(Cl)nc1 ZINC000055592483 965947057 /nfs/dbraw/zinc/94/70/57/965947057.db2.gz UOMMMEUZGCXQMC-UHFFFAOYSA-N 0 2 400.737 3.739 20 0 HHADLN CO[C@@H](C)C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000055621934 965969237 /nfs/dbraw/zinc/96/92/37/965969237.db2.gz QVEFSMHYYRSFQZ-JTQLQIEISA-N 0 2 403.287 3.768 20 0 HHADLN COc1ccccc1-c1nc(C(=O)NNC(=O)c2cc3ccccc3cc2O)cs1 ZINC000058959475 965974713 /nfs/dbraw/zinc/97/47/13/965974713.db2.gz XJODOZJRNHHDKL-UHFFFAOYSA-N 0 2 419.462 3.752 20 0 HHADLN CC(C)Oc1ccc(S(=O)(=O)Nc2cnn(C[C@H]3CCCO3)c2)c2ccccc12 ZINC000055630700 965975805 /nfs/dbraw/zinc/97/58/05/965975805.db2.gz LPRVGNJPATUXMB-QGZVFWFLSA-N 0 2 415.515 3.803 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCc3cccs3)cc2)nc(C)n1 ZINC000058983430 965979750 /nfs/dbraw/zinc/97/97/50/965979750.db2.gz SEAKPHUYGCLWOG-UHFFFAOYSA-N 0 2 416.528 3.527 20 0 HHADLN CC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000055651530 965998082 /nfs/dbraw/zinc/99/80/82/965998082.db2.gz DAZFJMURPHAUQS-UHFFFAOYSA-N 0 2 402.394 3.524 20 0 HHADLN Cc1cccc(Oc2ncccc2NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)c1C ZINC000055686122 966017343 /nfs/dbraw/zinc/01/73/43/966017343.db2.gz JUOFORNHYZCUEZ-UHFFFAOYSA-N 0 2 411.483 3.699 20 0 HHADLN O=S(=O)(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(Cl)cc1F ZINC000031721750 966096050 /nfs/dbraw/zinc/09/60/50/966096050.db2.gz VMUBKMWOQQNYAE-UHFFFAOYSA-N 0 2 417.911 3.996 20 0 HHADLN COc1ccc(-c2nc(SCc3cccc(C(=O)N(C)C)c3)[nH]c(=O)c2C#N)cc1 ZINC000060428614 966140945 /nfs/dbraw/zinc/14/09/45/966140945.db2.gz SSZLAZPOBWVCJN-UHFFFAOYSA-N 0 2 420.494 3.724 20 0 HHADLN COc1cccc(Cc2cnc(NC(=O)c3cc(C#N)c(SC)[nH]c3=O)s2)c1 ZINC000031890791 966146701 /nfs/dbraw/zinc/14/67/01/966146701.db2.gz OHDDECXJNSRYLB-UHFFFAOYSA-N 0 2 412.496 3.689 20 0 HHADLN O=S(=O)(Nc1nc2ccsc2s1)c1cc(Br)cc2c1OCC2 ZINC000542719964 1013631617 /nfs/dbraw/zinc/63/16/17/1013631617.db2.gz LEKRNOAHYUCJOW-UHFFFAOYSA-N 0 2 417.331 3.856 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1OC1CCCC1 ZINC000032098572 966195079 /nfs/dbraw/zinc/19/50/79/966195079.db2.gz LKKPWQMZSIFZCC-UHFFFAOYSA-N 0 2 405.501 3.822 20 0 HHADLN COc1ccc(NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc1NC(C)=O ZINC000542728422 1013640956 /nfs/dbraw/zinc/64/09/56/1013640956.db2.gz LOBAFICDQVMNRW-UHFFFAOYSA-N 0 2 417.878 3.891 20 0 HHADLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc(-c3cccs3)ns2)ccc1Cl ZINC000035298181 966420396 /nfs/dbraw/zinc/42/03/96/966420396.db2.gz YPOSOALZDRHYJL-UHFFFAOYSA-N 0 2 402.866 3.629 20 0 HHADLN CSc1ccc(CNC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1 ZINC000056943870 966522211 /nfs/dbraw/zinc/52/22/11/966522211.db2.gz XTPAPFQECLLLBV-UHFFFAOYSA-N 0 2 411.483 3.725 20 0 HHADLN N#CC(C(=O)COc1ccc2ccc(=O)oc2c1)c1nc2ccccc2n1C(F)F ZINC000041559635 966597252 /nfs/dbraw/zinc/59/72/52/966597252.db2.gz BDIFNQMNUMTYMM-CQSZACIVSA-N 0 2 409.348 3.793 20 0 HHADLN Cc1ccc(Nc2ccccc2NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1 ZINC000042666912 966825034 /nfs/dbraw/zinc/82/50/34/966825034.db2.gz ACUCLHIWAXSCTB-UHFFFAOYSA-N 0 2 416.524 3.943 20 0 HHADLN O=S(=O)(Nc1cnn(C[C@H]2CCCO2)c1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000042714762 966833630 /nfs/dbraw/zinc/83/36/30/966833630.db2.gz SNEXJAMZBYUPBY-LLVKDONJSA-N 0 2 409.817 3.535 20 0 HHADLN COc1ccc(COC(=O)CSc2[nH]c(=O)cc(C(F)(F)F)c2C#N)cc1F ZINC000043866668 967060264 /nfs/dbraw/zinc/06/02/64/967060264.db2.gz MJSYTLZVXNMYIF-UHFFFAOYSA-N 0 2 416.352 3.661 20 0 HHADLN Cn1c2ccc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)cc2n(C)c1=O ZINC000064477653 967204199 /nfs/dbraw/zinc/20/41/99/967204199.db2.gz HRDIXNGCWWYPIH-UHFFFAOYSA-N 0 2 420.705 3.638 20 0 HHADLN Cc1nc2sccc2c(=O)n1NC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000064897174 967321980 /nfs/dbraw/zinc/32/19/80/967321980.db2.gz JSMSYAPYXOUUMT-UHFFFAOYSA-N 0 2 402.888 3.927 20 0 HHADLN COc1ccc(-c2nc(S[C@@H](C)c3nc(C(C)(C)C)no3)[nH]c(=O)c2C#N)cc1 ZINC000045104194 967355438 /nfs/dbraw/zinc/35/54/38/967355438.db2.gz PXFKRJBNSNZXQG-NSHDSACASA-N 0 2 411.487 3.851 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N(C)[C@@H](C)c3cc(F)ccc3F)cc2[nH]c1=S ZINC000045260697 967395664 /nfs/dbraw/zinc/39/56/64/967395664.db2.gz OHFWZPQPYMTNDY-LBPRGKRZSA-N 0 2 415.465 3.983 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2ccc3cccc(Br)c3n2)cn1 ZINC000542865174 1013719289 /nfs/dbraw/zinc/71/92/89/1013719289.db2.gz WEUABCNBBZQERG-UHFFFAOYSA-N 0 2 408.277 3.592 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N(CCC)Cc3ccc(C#N)cc3)cc2[nH]c1=S ZINC000045404191 967450520 /nfs/dbraw/zinc/45/05/20/967450520.db2.gz PEXAZHPINLKEOF-UHFFFAOYSA-N 0 2 418.522 3.795 20 0 HHADLN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(-c3ccc(F)cc3)o2)C1=O ZINC000045579717 967501943 /nfs/dbraw/zinc/50/19/43/967501943.db2.gz WZKFTPMNPPMZQR-QHCPKHFHSA-N 0 2 421.428 3.674 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000538198547 1013754273 /nfs/dbraw/zinc/75/42/73/1013754273.db2.gz HXNXVMPAMLJSTI-JKSUJKDBSA-N 0 2 400.891 3.932 20 0 HHADLN Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2sccc2Br)c1 ZINC000047959365 968377527 /nfs/dbraw/zinc/37/75/27/968377527.db2.gz IJDNXDLOBWXIIG-UHFFFAOYSA-N 0 2 411.321 3.782 20 0 HHADLN N#Cc1ccccc1OCc1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)o1 ZINC000048186496 968476451 /nfs/dbraw/zinc/47/64/51/968476451.db2.gz YCORFGGBPOLIAO-UHFFFAOYSA-N 0 2 419.481 3.708 20 0 HHADLN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2F)C[C@@H](C)O1 ZINC000048230186 968494472 /nfs/dbraw/zinc/49/44/72/968494472.db2.gz SCUKFLOBCPBLQW-VXGBXAGGSA-N 0 2 400.422 3.518 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(-n2cccc2)cc1 ZINC000096505942 969045006 /nfs/dbraw/zinc/04/50/06/969045006.db2.gz GXGUYYNUHSFEEH-UHFFFAOYSA-N 0 2 424.507 3.987 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cccc2c1N=S=N2 ZINC000109020814 969450409 /nfs/dbraw/zinc/45/04/09/969450409.db2.gz GEJMXROJILTOSO-AWEZNQCLSA-N 0 2 401.473 3.942 20 0 HHADLN Cc1nc(-c2ccc(S(=O)(=O)Nc3cnc(-c4cccc(O)c4)nc3)cc2)co1 ZINC000112640098 969820104 /nfs/dbraw/zinc/82/01/04/969820104.db2.gz CLTJVFJXFYDERE-UHFFFAOYSA-N 0 2 408.439 3.613 20 0 HHADLN CC(=O)CCCC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000195679877 969951462 /nfs/dbraw/zinc/95/14/62/969951462.db2.gz IBTUNZRVCHJMIV-UHFFFAOYSA-N 0 2 412.870 3.978 20 0 HHADLN O=C(CCn1c(=S)[nH]nc1-c1cccs1)Nc1nc(-c2cccs2)n[nH]1 ZINC000117426865 969951660 /nfs/dbraw/zinc/95/16/60/969951660.db2.gz KFFNKUGPHFQTET-UHFFFAOYSA-N 0 2 403.518 3.545 20 0 HHADLN CCc1cc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)n[nH]1 ZINC000138713747 970008798 /nfs/dbraw/zinc/00/87/98/970008798.db2.gz OSKJABDBQQNJBR-UHFFFAOYSA-N 0 2 419.510 3.840 20 0 HHADLN O=S(=O)(Nc1ccc(F)nc1)c1cc(Br)sc1Br ZINC000221725388 970100051 /nfs/dbraw/zinc/10/00/51/970100051.db2.gz MVQBXBAVNQCZRL-UHFFFAOYSA-N 0 2 416.091 3.608 20 0 HHADLN Cc1sc(Br)cc1S(=O)(=O)Nc1ccc(Br)nc1 ZINC000221718382 970100277 /nfs/dbraw/zinc/10/02/77/970100277.db2.gz JUBNSIRZMAHWAS-UHFFFAOYSA-N 0 2 412.128 3.777 20 0 HHADLN Cc1nc(Br)ccc1NS(=O)(=O)c1ccccc1Br ZINC000222848580 970103258 /nfs/dbraw/zinc/10/32/58/970103258.db2.gz ATELVRMIQDTYAT-UHFFFAOYSA-N 0 2 406.099 3.716 20 0 HHADLN COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1ccnc(Cl)c1 ZINC000226511565 970109661 /nfs/dbraw/zinc/10/96/61/970109661.db2.gz ICRZASJORPXYHH-UHFFFAOYSA-N 0 2 412.092 3.960 20 0 HHADLN Cc1cncc(NS(=O)(=O)c2ccc(Br)cc2Br)c1 ZINC000227121084 970114116 /nfs/dbraw/zinc/11/41/16/970114116.db2.gz RLALNAHSDWTCMM-UHFFFAOYSA-N 0 2 406.099 3.716 20 0 HHADLN O=S(=O)(Nc1ccccc1O)c1ccc(Br)cc1Br ZINC000227331027 970117067 /nfs/dbraw/zinc/11/70/67/970117067.db2.gz XMPDLRNXKYVVBE-UHFFFAOYSA-N 0 2 407.083 3.718 20 0 HHADLN CNC(=O)c1ccc(NCc2cc(Br)c(O)c(Br)c2)cc1 ZINC000234348483 970141216 /nfs/dbraw/zinc/14/12/16/970141216.db2.gz KNKHXHOTNDKIBI-UHFFFAOYSA-N 0 2 414.097 3.889 20 0 HHADLN CC[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1 ZINC000147399220 970327267 /nfs/dbraw/zinc/32/72/67/970327267.db2.gz IKAGBGHJBVECHV-KRWDZBQOSA-N 0 2 401.513 3.825 20 0 HHADLN O=C(NCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000148178490 970351495 /nfs/dbraw/zinc/35/14/95/970351495.db2.gz OAAAIQSRLUNKIF-UHFFFAOYSA-N 0 2 407.904 3.527 20 0 HHADLN O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Br)cc2F)ccc1Cl ZINC000317806677 972657871 /nfs/dbraw/zinc/65/78/71/972657871.db2.gz XIDQINWRJYYZNP-UHFFFAOYSA-N 0 2 409.620 3.951 20 0 HHADLN COC(=O)c1ccc(F)cc1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000319978532 972674429 /nfs/dbraw/zinc/67/44/29/972674429.db2.gz DGCVBUBBUCHNPI-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN COCCOc1cc(C)ccc1NS(=O)(=O)c1cc(Br)sc1C ZINC000321485259 972691518 /nfs/dbraw/zinc/69/15/18/972691518.db2.gz WISPXJCDJGENKZ-UHFFFAOYSA-N 0 2 420.350 3.953 20 0 HHADLN Cc1cc(Br)cnc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000387634031 972802041 /nfs/dbraw/zinc/80/20/41/972802041.db2.gz ZEDBQQQLDCSSKF-UHFFFAOYSA-N 0 2 406.645 3.515 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)c1 ZINC000409523828 972979235 /nfs/dbraw/zinc/97/92/35/972979235.db2.gz WDAZGYYGLJGVML-UHFFFAOYSA-N 0 2 422.503 3.999 20 0 HHADLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3cc4c(cc3Cl)OCCO4)sc2C1 ZINC000409537079 972993030 /nfs/dbraw/zinc/99/30/30/972993030.db2.gz QYLNFCBUIPVRMT-SNVBAGLBSA-N 0 2 414.936 3.883 20 0 HHADLN CC(C)(C)c1cc(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)n(C(C)(C)C)n1 ZINC000409582119 973031702 /nfs/dbraw/zinc/03/17/02/973031702.db2.gz OKTBDBHBRYIUNC-UHFFFAOYSA-N 0 2 418.563 3.629 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3nc4cc(F)c(F)cc4s3)cc2C[C@@H]1C ZINC000409638600 973087487 /nfs/dbraw/zinc/08/74/87/973087487.db2.gz OBWUYXHHYVBGTC-VIFPVBQESA-N 0 2 423.466 3.673 20 0 HHADLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3cc(F)ccc3C(=O)OC)sc2C1 ZINC000409663115 973118328 /nfs/dbraw/zinc/11/83/28/973118328.db2.gz DNOHIPBXGMHKNO-NSHDSACASA-N 0 2 412.508 3.775 20 0 HHADLN CC1(C)Cc2cccc(S(=O)(=O)Nc3nnc(Cc4ccccc4Cl)o3)c2O1 ZINC000410320620 973867533 /nfs/dbraw/zinc/86/75/33/973867533.db2.gz GGFDLKXLTLCMSW-UHFFFAOYSA-N 0 2 419.890 3.828 20 0 HHADLN Cc1c(NS(=O)(=O)CCc2ccccc2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000410323835 973876161 /nfs/dbraw/zinc/87/61/61/973876161.db2.gz GAURNJVABUHKJE-UHFFFAOYSA-N 0 2 424.448 3.638 20 0 HHADLN CCn1c2ccc(S(=O)(=O)Nc3ccc4ccc(Cl)cc4n3)cc2oc1=O ZINC000410329749 973898802 /nfs/dbraw/zinc/89/88/02/973898802.db2.gz TXCDQXKUMNIIKT-UHFFFAOYSA-N 0 2 403.847 3.617 20 0 HHADLN O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2ccc3ccc(Cl)cc3n2)c1 ZINC000410332505 973908258 /nfs/dbraw/zinc/90/82/58/973908258.db2.gz HJSCPVQMKCRSFI-UHFFFAOYSA-N 0 2 401.875 3.581 20 0 HHADLN Cc1cc(C)c(-c2cc(NS(=O)(=O)c3cc(Cl)cc(C(N)=O)c3)[nH]n2)cc1C ZINC000410355853 973947509 /nfs/dbraw/zinc/94/75/09/973947509.db2.gz UBASLLHKRVALES-UHFFFAOYSA-N 0 2 418.906 3.555 20 0 HHADLN CC(=O)Nc1cccc(NS(=O)(=O)c2cccc(Br)c2F)c1C ZINC000410363027 973956082 /nfs/dbraw/zinc/95/60/82/973956082.db2.gz HTTLHTJSUMUZQX-UHFFFAOYSA-N 0 2 401.257 3.656 20 0 HHADLN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)NCc3nnc(COc4ccccc4)[nH]3)C2)cc1 ZINC000426236698 974333445 /nfs/dbraw/zinc/33/34/45/974333445.db2.gz IDJFAHZSQXAAAN-PKOBYXMFSA-N 0 2 405.502 3.780 20 0 HHADLN O=C([O-])[C@@H]([NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)c1ccc(Cl)c(F)c1 ZINC000426756919 974638037 /nfs/dbraw/zinc/63/80/37/974638037.db2.gz ATEVNVSMRQZOHT-INIZCTEOSA-N 0 2 413.211 3.768 20 0 HHADLN CCc1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)oc1CC ZINC000426893441 974736355 /nfs/dbraw/zinc/73/63/55/974736355.db2.gz HDSLTSZCAWLPKF-UHFFFAOYSA-N 0 2 405.501 3.914 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccc(F)c(Cl)c1 ZINC000426894014 974737075 /nfs/dbraw/zinc/73/70/75/974737075.db2.gz MEPAXOPIDWDOAC-UHFFFAOYSA-N 0 2 411.867 3.989 20 0 HHADLN COCCOc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c(C)c1 ZINC000427098702 974902557 /nfs/dbraw/zinc/90/25/57/974902557.db2.gz DNXIYOAMMZLPCN-UHFFFAOYSA-N 0 2 423.384 3.859 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NC[C@@H]2CCN(c3cc(Cl)ccc3C)C2)cn1 ZINC000427120874 974920562 /nfs/dbraw/zinc/92/05/62/974920562.db2.gz VRDLBJHVCLCYRZ-HNNXBMFYSA-N 0 2 412.925 3.511 20 0 HHADLN CCC[C@H](C)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000427201416 974974360 /nfs/dbraw/zinc/97/43/60/974974360.db2.gz AFUVPVNZSPFQNR-YOEHRIQHSA-N 0 2 407.561 3.985 20 0 HHADLN Cn1nc(-c2ccsc2)cc1NC(=O)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000427217955 974984977 /nfs/dbraw/zinc/98/49/77/974984977.db2.gz KEPHSGFXKXCAFC-UHFFFAOYSA-N 0 2 411.270 3.738 20 0 HHADLN COc1ccc(Cn2cc(NS(=O)(=O)c3ccc4nc(C)sc4c3)cn2)cc1 ZINC000427346078 975068139 /nfs/dbraw/zinc/06/81/39/975068139.db2.gz HSRBAULBPADEBJ-UHFFFAOYSA-N 0 2 414.512 3.659 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N[C@@H]2CCc3ccc(-c4ccccc4)cc32)s[nH]1 ZINC000427417546 975104029 /nfs/dbraw/zinc/10/40/29/975104029.db2.gz VSKQUDYCCKPJHS-GOSISDBHSA-N 0 2 420.538 3.667 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(-c2ccncc2)c(C)c1 ZINC000427640448 975220890 /nfs/dbraw/zinc/22/08/90/975220890.db2.gz XCJOJRPLPMRWBG-UHFFFAOYSA-N 0 2 400.456 3.854 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc3nc(C)sc3c2)nc1C1CC1 ZINC000427769796 975278868 /nfs/dbraw/zinc/27/88/68/975278868.db2.gz WYRKDBXTPJREGG-UHFFFAOYSA-N 0 2 409.514 3.526 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NCCc2cc(Cl)ccc2Br)cn1 ZINC000427787417 975288709 /nfs/dbraw/zinc/28/87/09/975288709.db2.gz UUXUPRIRSZDTKX-UHFFFAOYSA-N 0 2 422.714 3.682 20 0 HHADLN CN1Cc2cccc(NS(=O)(=O)c3cc(Br)cc4cccnc43)c2C1 ZINC000427790204 975290117 /nfs/dbraw/zinc/29/01/17/975290117.db2.gz RTIXCPFRMNLXNM-UHFFFAOYSA-N 0 2 418.316 3.744 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nc(C(C)(C)C)co1 ZINC000427798751 975295320 /nfs/dbraw/zinc/29/53/20/975295320.db2.gz NBOWZMXGTCPQEN-LLVKDONJSA-N 0 2 402.900 3.840 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCn4c(cc5cc(Cl)ccc54)C3)=N2)cc1 ZINC000427968061 975369763 /nfs/dbraw/zinc/36/97/63/975369763.db2.gz HAAZPWIVKMIACL-UHFFFAOYSA-N 0 2 422.872 3.851 20 0 HHADLN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)C1 ZINC000428200335 975525602 /nfs/dbraw/zinc/52/56/02/975525602.db2.gz PRUSTZCFWLDDCP-SEXAOGGLSA-N 0 2 403.548 3.511 20 0 HHADLN COc1ccc(-n2cc([O-])c(C(=O)Nc3ccc(-n4c[nH+]c(C)c4C)cc3)n2)cc1 ZINC000428576568 975888649 /nfs/dbraw/zinc/88/86/49/975888649.db2.gz AIZGHTQYBYVSAB-UHFFFAOYSA-N 0 2 403.442 3.641 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)Nc1ccnn1C(C)C ZINC000429457163 976730609 /nfs/dbraw/zinc/73/06/09/976730609.db2.gz XYRPFFJOSVUYJP-SFHVURJKSA-N 0 2 410.522 3.709 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)Nc1ccnn1C(C)C ZINC000429456837 976730974 /nfs/dbraw/zinc/73/09/74/976730974.db2.gz XYRPFFJOSVUYJP-GOSISDBHSA-N 0 2 410.522 3.709 20 0 HHADLN CCCn1ccnc1CCCN(C)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000429602136 976882893 /nfs/dbraw/zinc/88/28/93/976882893.db2.gz NWUIOGNEMYYHEA-UHFFFAOYSA-N 0 2 418.954 3.983 20 0 HHADLN NC(=O)CSc1ccccc1NS(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000430080961 977310646 /nfs/dbraw/zinc/31/06/46/977310646.db2.gz PZXSZMTVWREUMV-UHFFFAOYSA-N 0 2 412.945 3.933 20 0 HHADLN C[C@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000430274082 977439649 /nfs/dbraw/zinc/43/96/49/977439649.db2.gz CPSNBWZVBKGJFR-FQEVSTJZSA-N 0 2 423.296 3.713 20 0 HHADLN Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2)cn1 ZINC000430368101 977505772 /nfs/dbraw/zinc/50/57/72/977505772.db2.gz DRCYQPBNXNUKOX-UHFFFAOYSA-N 0 2 413.474 3.602 20 0 HHADLN Cc1c([C@@H](C)NC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)cnn1C ZINC000430438565 977549163 /nfs/dbraw/zinc/54/91/63/977549163.db2.gz MUGIXSYZURSRJP-CQSZACIVSA-N 0 2 402.454 3.853 20 0 HHADLN O=C(c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)N1CCC(CCCO)CC1 ZINC000430573515 977639621 /nfs/dbraw/zinc/63/96/21/977639621.db2.gz RKSTVSPZRFTCQN-UHFFFAOYSA-N 0 2 406.482 3.945 20 0 HHADLN CC[C@@]1(CO)CCCN(C(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)C1 ZINC000430574161 977639756 /nfs/dbraw/zinc/63/97/56/977639756.db2.gz RVSBWAYUSDPNSH-XMMPIXPASA-N 0 2 406.482 3.945 20 0 HHADLN CCc1nn(C)cc1CNC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430591530 977647338 /nfs/dbraw/zinc/64/73/38/977647338.db2.gz OEXOJPYCHQGADD-UHFFFAOYSA-N 0 2 402.454 3.546 20 0 HHADLN CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2sc(C)cc2C)ccc1C ZINC000431155377 978055990 /nfs/dbraw/zinc/05/59/90/978055990.db2.gz FQTGFOYHDGRQJA-UHFFFAOYSA-N 0 2 416.590 3.505 20 0 HHADLN CCCCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2sc(C)cc2C)cc1 ZINC000431174830 978073890 /nfs/dbraw/zinc/07/38/90/978073890.db2.gz HPVDOFTZOPLTRU-UHFFFAOYSA-N 0 2 416.590 3.586 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cnn1-c1ccccc1C ZINC000432054456 978662691 /nfs/dbraw/zinc/66/26/91/978662691.db2.gz VATOLULPOZSFGA-UHFFFAOYSA-N 0 2 412.471 3.781 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccsc2C(=O)OC)cnn1-c1ccccc1C ZINC000432056085 978663335 /nfs/dbraw/zinc/66/33/35/978663335.db2.gz XXMDMVCUKGSDKI-UHFFFAOYSA-N 0 2 419.528 3.782 20 0 HHADLN Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)N=c2nc(C(C)(C)C)[nH]s2)cn1 ZINC000432080350 978672029 /nfs/dbraw/zinc/67/20/29/978672029.db2.gz VSBUDNLGCYWTDK-UHFFFAOYSA-N 0 2 418.954 3.879 20 0 HHADLN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ncc(-c4ccc(F)cc4)s3)ccc21 ZINC000432351073 978772392 /nfs/dbraw/zinc/77/23/92/978772392.db2.gz IJHPORUIVDYHNO-UHFFFAOYSA-N 0 2 417.487 3.659 20 0 HHADLN O=S(=O)(Nc1c[nH]nc1-c1ccccn1)c1ccc(Cl)c(Br)c1 ZINC000432354804 978774315 /nfs/dbraw/zinc/77/43/15/978774315.db2.gz BAITVITTZOWFFQ-UHFFFAOYSA-N 0 2 413.684 3.688 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2cccc(Cl)c2Cl)sc1C1CC1 ZINC000432362503 978778150 /nfs/dbraw/zinc/77/81/50/978778150.db2.gz MBAZRJBYZAPBQW-UHFFFAOYSA-N 0 2 407.300 3.915 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C)sc1C1CC1 ZINC000432365649 978779633 /nfs/dbraw/zinc/77/96/33/978779633.db2.gz WHVOQVVMUZUGDD-UHFFFAOYSA-N 0 2 420.434 3.935 20 0 HHADLN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc(Cl)c(OC)c1 ZINC000432468155 978830030 /nfs/dbraw/zinc/83/00/30/978830030.db2.gz FVVYKCRWTFPUQS-UHFFFAOYSA-N 0 2 423.796 3.955 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)c1 ZINC000433120625 979083114 /nfs/dbraw/zinc/08/31/14/979083114.db2.gz ZTDHSWOZEFUYGO-UHFFFAOYSA-N 0 2 421.450 3.841 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)=N1 ZINC000434231696 980002803 /nfs/dbraw/zinc/00/28/03/980002803.db2.gz SGHSHNSAUZGCGV-UHFFFAOYSA-N 0 2 422.460 3.694 20 0 HHADLN COc1cccc(NC2CCN(C(=O)C3=NN(c4ccc(F)cc4C)CC3=O)CC2)c1 ZINC000434269397 980031039 /nfs/dbraw/zinc/03/10/39/980031039.db2.gz GHTGOLKEXDKWFG-UHFFFAOYSA-N 0 2 424.476 3.751 20 0 HHADLN COc1cc(C)cc(C)c1S(=O)(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000434751239 980378937 /nfs/dbraw/zinc/37/89/37/980378937.db2.gz CWEHEGXUBGLYIS-KRWDZBQOSA-N 0 2 412.515 3.623 20 0 HHADLN COc1ccc(Cl)cc1-c1cc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)n[nH]1 ZINC000434976177 980543612 /nfs/dbraw/zinc/54/36/12/980543612.db2.gz APXVGGJZUFIYBK-LLVKDONJSA-N 0 2 419.890 3.863 20 0 HHADLN COc1cc(NC(C)=O)ccc1NS(=O)(=O)c1ccc(C)cc1Br ZINC000435133531 980664903 /nfs/dbraw/zinc/66/49/03/980664903.db2.gz RJCQPTVTJLWGGV-UHFFFAOYSA-N 0 2 413.293 3.525 20 0 HHADLN COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2C)c1 ZINC000435145189 980676942 /nfs/dbraw/zinc/67/69/42/980676942.db2.gz OKHLLCDHZOPXMX-UHFFFAOYSA-N 0 2 417.462 3.524 20 0 HHADLN O=S(=O)(Nc1cccnc1N1CCOCC1)c1cc2cc(Cl)ccc2s1 ZINC000435180360 980702729 /nfs/dbraw/zinc/70/27/29/980702729.db2.gz FKVAUXLHPYECOQ-UHFFFAOYSA-N 0 2 409.920 3.587 20 0 HHADLN CCc1csc(NS(=O)(=O)c2cc(Cl)c(OC)cc2Br)n1 ZINC000435197667 980715110 /nfs/dbraw/zinc/71/51/10/980715110.db2.gz UHNPPWPOEMBTLB-UHFFFAOYSA-N 0 2 411.730 3.931 20 0 HHADLN Cc1cc([C@@H]2CCCN2C(=O)c2c[nH]c3c(cnn3C)c2=O)ccc1Br ZINC000435959137 981114212 /nfs/dbraw/zinc/11/42/12/981114212.db2.gz BWVIMPMFNLCQBH-INIZCTEOSA-N 0 2 415.291 3.722 20 0 HHADLN O=C1CCCc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)ccc2N1 ZINC000436003538 981146410 /nfs/dbraw/zinc/14/64/10/981146410.db2.gz AVLKPVKCHFRMKS-UHFFFAOYSA-N 0 2 402.369 3.920 20 0 HHADLN O=S(=O)(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1cnc(-c2ccccc2)nc1 ZINC000436004498 981147156 /nfs/dbraw/zinc/14/71/56/981147156.db2.gz DEUZAJWBNQAOBA-UHFFFAOYSA-N 0 2 418.482 3.607 20 0 HHADLN O=C(NC1CC1)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1 ZINC000436011223 981152989 /nfs/dbraw/zinc/15/29/89/981152989.db2.gz AMTVGPGMDVBVIY-UHFFFAOYSA-N 0 2 402.369 3.538 20 0 HHADLN CCOc1cccc(NS(=O)(=O)c2cc(OC)c(Br)cc2OC)c1 ZINC000436012949 981154282 /nfs/dbraw/zinc/15/42/82/981154282.db2.gz BAIZYAUXQDQLRL-UHFFFAOYSA-N 0 2 416.293 3.666 20 0 HHADLN COC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccccc1SC ZINC000436016611 981157487 /nfs/dbraw/zinc/15/74/87/981157487.db2.gz SCBLTUHAANAGCQ-UHFFFAOYSA-N 0 2 416.318 3.758 20 0 HHADLN CC(C)c1ccc(NS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)c(C(C)C)c1 ZINC000436023162 981162419 /nfs/dbraw/zinc/16/24/19/981162419.db2.gz AOKSIZALWIHPBX-UHFFFAOYSA-N 0 2 424.588 3.985 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)Nc1cnn(CC(C)C)c1 ZINC000436506884 981407615 /nfs/dbraw/zinc/40/76/15/981407615.db2.gz DMSQGTBKGFTIRT-FQEVSTJZSA-N 0 2 424.549 3.784 20 0 HHADLN C[C@H](NC(=O)c1cc(F)c(O)c(F)c1)c1cc2c(cc1Br)OCCO2 ZINC000436526682 981419306 /nfs/dbraw/zinc/41/93/06/981419306.db2.gz BCBDRLBOZKRGDC-QMMMGPOBSA-N 0 2 414.202 3.695 20 0 HHADLN O=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)c1cc(F)c(O)c(F)c1 ZINC000436529248 981421870 /nfs/dbraw/zinc/42/18/70/981421870.db2.gz KJZJTNQANCXFGF-NSHDSACASA-N 0 2 411.246 3.689 20 0 HHADLN CC[C@H](NC(=O)c1cc(F)c(O)c(F)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000436535223 981426644 /nfs/dbraw/zinc/42/66/44/981426644.db2.gz YUALMJZHXDLMPC-SFHVURJKSA-N 0 2 418.440 3.553 20 0 HHADLN NS(=O)(=O)Cc1cccc(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)c1 ZINC000436537406 981427501 /nfs/dbraw/zinc/42/75/01/981427501.db2.gz GSHZLFGRWMGNQH-UHFFFAOYSA-N 0 2 416.886 3.753 20 0 HHADLN Cc1ccc(NC(=O)c2c(O)cc(Cl)cc2Cl)cc1N1CCCS1(=O)=O ZINC000436562200 981446361 /nfs/dbraw/zinc/44/63/61/981446361.db2.gz MCWSICQMRJUDHK-UHFFFAOYSA-N 0 2 415.298 3.800 20 0 HHADLN C[C@@]1(CNC(=O)c2cc(F)cc(Br)c2O)OCCc2sccc21 ZINC000436594174 981465044 /nfs/dbraw/zinc/46/50/44/981465044.db2.gz DNCJGXCWACRFNX-INIZCTEOSA-N 0 2 400.269 3.573 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000436638326 981487729 /nfs/dbraw/zinc/48/77/29/981487729.db2.gz GTBILZCYYHZYCV-UHFFFAOYSA-N 0 2 404.656 3.849 20 0 HHADLN O=C(CCc1nc[nH]n1)Nc1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 ZINC000436655080 981493991 /nfs/dbraw/zinc/49/39/91/981493991.db2.gz CAOCCWXZMVQUAL-UHFFFAOYSA-N 0 2 420.256 3.641 20 0 HHADLN COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436654471 981494117 /nfs/dbraw/zinc/49/41/17/981494117.db2.gz ACOZUQWZSSQWGH-CQSZACIVSA-N 0 2 401.768 3.936 20 0 HHADLN Cc1cc2[nH]ncc2cc1NC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000436669662 981502104 /nfs/dbraw/zinc/50/21/04/981502104.db2.gz AYAKYDVLDGGCCH-OAQYLSRUSA-N 0 2 414.465 3.973 20 0 HHADLN O=C(Nc1cc(F)ccc1O)c1cccc(C(=O)Nc2cc(F)ccc2O)c1O ZINC000436704258 981521304 /nfs/dbraw/zinc/52/13/04/981521304.db2.gz GQOHZNUNERQSAV-UHFFFAOYSA-N 0 2 400.337 3.586 20 0 HHADLN O=C(N[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cc(F)c(O)c(F)c1 ZINC000436708105 981523393 /nfs/dbraw/zinc/52/33/93/981523393.db2.gz UILUALWCINNQOR-SFHVURJKSA-N 0 2 401.331 3.821 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCCC[C@H]1c1nnc(C2CCOCC2)o1 ZINC000436716582 981528130 /nfs/dbraw/zinc/52/81/30/981528130.db2.gz UASBUKFHCHHQQE-HNNXBMFYSA-N 0 2 409.845 3.829 20 0 HHADLN O=C(Nc1ccc(Cn2cc[nH+]c2)cn1)c1cc(Cl)cc(Br)c1[O-] ZINC000436731236 981536339 /nfs/dbraw/zinc/53/63/39/981536339.db2.gz BMSSISBEMRVKEL-UHFFFAOYSA-N 0 2 407.655 3.700 20 0 HHADLN CC(C)(C)c1nnc(CNC(=O)c2cc(Cl)cc(Br)c2O)s1 ZINC000436805252 981569809 /nfs/dbraw/zinc/56/98/09/981569809.db2.gz DJGOJBCAYLIDBW-UHFFFAOYSA-N 0 2 404.717 3.887 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1O ZINC000436815729 981573878 /nfs/dbraw/zinc/57/38/78/981573878.db2.gz PUAVNLGPEMJBCR-UHFFFAOYSA-N 0 2 409.769 3.652 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCc2c(cnn2-c2ccccc2)C1 ZINC000436849848 981589416 /nfs/dbraw/zinc/58/94/16/981589416.db2.gz VMFYVIQBYMSRMC-UHFFFAOYSA-N 0 2 416.250 3.678 20 0 HHADLN CCOC(=O)[C@H]1CN(C(=O)c2cc(F)cc(Br)c2O)Cc2ccccc21 ZINC000436852597 981591541 /nfs/dbraw/zinc/59/15/41/981591541.db2.gz ANNLDAOLLJDBTD-HNNXBMFYSA-N 0 2 422.250 3.597 20 0 HHADLN CN(Cc1cc(Br)cn1C)C(=O)c1cc(F)cc(Br)c1O ZINC000436854399 981592770 /nfs/dbraw/zinc/59/27/70/981592770.db2.gz FHMGTJQVVOSRJJ-UHFFFAOYSA-N 0 2 420.076 3.667 20 0 HHADLN C[C@H](NC(=O)c1cc(F)cc(Br)c1O)c1nc(Cc2ccccc2)no1 ZINC000436854761 981592841 /nfs/dbraw/zinc/59/28/41/981592841.db2.gz UEVPLYMKTYLDEV-JTQLQIEISA-N 0 2 420.238 3.759 20 0 HHADLN O=C(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc(F)cc(Br)c1O ZINC000436854831 981592953 /nfs/dbraw/zinc/59/29/53/981592953.db2.gz ULJFZHHEBRKUBJ-GOEBONIOSA-N 0 2 416.193 3.832 20 0 HHADLN C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000436854460 981593036 /nfs/dbraw/zinc/59/30/36/981593036.db2.gz FROSESYPZFHAIK-OAHLLOKOSA-N 0 2 406.885 3.548 20 0 HHADLN COc1cccc([C@@H]2CN(C(=O)c3cc(F)cc(Br)c3O)CCO2)c1 ZINC000436859629 981595242 /nfs/dbraw/zinc/59/52/42/981595242.db2.gz UAWYGIZBUAPJPZ-INIZCTEOSA-N 0 2 410.239 3.516 20 0 HHADLN O=C(Nc1cccn(Cc2ccccc2)c1=O)c1cc(F)cc(Br)c1O ZINC000436884533 981600998 /nfs/dbraw/zinc/60/09/98/981600998.db2.gz AQQYNWGPPLFAGM-UHFFFAOYSA-N 0 2 417.234 3.756 20 0 HHADLN Cc1nc(CN(C)[C@H]2CCCN(C(=O)c3c(O)cc(Cl)cc3Cl)CC2)no1 ZINC000436918564 981623585 /nfs/dbraw/zinc/62/35/85/981623585.db2.gz HKMLECRPJXRUPI-ZDUSSCGKSA-N 0 2 413.305 3.517 20 0 HHADLN O=C(c1cc(F)c(O)c(F)c1)N(CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000436935723 981633077 /nfs/dbraw/zinc/63/30/77/981633077.db2.gz XEKIVZFCZNJOPY-HNNXBMFYSA-N 0 2 423.765 3.932 20 0 HHADLN CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436962765 981650249 /nfs/dbraw/zinc/65/02/49/981650249.db2.gz BECPSPXHXVYSHI-JLTOFOAXSA-N 0 2 403.473 3.747 20 0 HHADLN CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436962765 981650250 /nfs/dbraw/zinc/65/02/50/981650250.db2.gz BECPSPXHXVYSHI-JLTOFOAXSA-N 0 2 403.473 3.747 20 0 HHADLN CC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(Br)ccc2Cl)c1 ZINC000437003146 981679930 /nfs/dbraw/zinc/67/99/30/981679930.db2.gz OPTNIKBRCMIKMP-UHFFFAOYSA-N 0 2 404.669 3.812 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2F)s1)c1ccc2ncccc2c1 ZINC000437164870 981815797 /nfs/dbraw/zinc/81/57/97/981815797.db2.gz CYEPEWDXWZBKQD-UHFFFAOYSA-N 0 2 400.460 3.617 20 0 HHADLN C[C@@H]1CCCN(Cc2csc(NS(=O)(=O)c3cnc4ccsc4c3)n2)C1 ZINC000437165550 981816444 /nfs/dbraw/zinc/81/64/44/981816444.db2.gz NNWBFVMKZDYTEY-GFCCVEGCSA-N 0 2 408.574 3.786 20 0 HHADLN CCCCCc1nnc(NS(=O)(=O)c2ccccc2C(=O)N(C)CCCC)s1 ZINC000437165676 981817704 /nfs/dbraw/zinc/81/77/04/981817704.db2.gz NDCJMBFBQXJFFG-UHFFFAOYSA-N 0 2 424.592 3.944 20 0 HHADLN C[C@H]1CN(Cc2csc(NS(=O)(=O)c3cccc4ccccc43)n2)C[C@H](C)O1 ZINC000437168848 981821830 /nfs/dbraw/zinc/82/18/30/981821830.db2.gz RWPZJSFPJSPEBY-GJZGRUSLSA-N 0 2 417.556 3.706 20 0 HHADLN CCCOc1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3F)s2)cc1 ZINC000437169160 981822936 /nfs/dbraw/zinc/82/29/36/981822936.db2.gz CJLPSGMADBTIOC-UHFFFAOYSA-N 0 2 407.492 3.858 20 0 HHADLN COc1c(C)cc(S(=O)(=O)Nc2nnc(Cc3ccccc3F)s2)cc1C ZINC000437173987 981828567 /nfs/dbraw/zinc/82/85/67/981828567.db2.gz VELQGGZDYTZTJZ-UHFFFAOYSA-N 0 2 407.492 3.694 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cnn1-c1ccc(Cl)cc1 ZINC000437180906 981837383 /nfs/dbraw/zinc/83/73/83/981837383.db2.gz DLJVKZLFWMRGBW-UHFFFAOYSA-N 0 2 411.940 3.784 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(F)c2)s1)c1cccc(Cl)c1F ZINC000437194344 981851945 /nfs/dbraw/zinc/85/19/45/981851945.db2.gz MWUORPRIHFWKCD-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN CC(C)c1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)s1 ZINC000437199468 981856659 /nfs/dbraw/zinc/85/66/59/981856659.db2.gz QZEQPCJYJPLIEJ-UHFFFAOYSA-N 0 2 420.491 3.854 20 0 HHADLN Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000448540293 981868198 /nfs/dbraw/zinc/86/81/98/981868198.db2.gz YVWMWNXLMRFCDS-IAQYHMDHSA-N 0 2 421.885 3.823 20 0 HHADLN COC1(CNC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3)c(F)cc2C)CCC1 ZINC000448540611 981869420 /nfs/dbraw/zinc/86/94/20/981869420.db2.gz BDLYAMWBXQBNOL-UHFFFAOYSA-N 0 2 421.494 3.626 20 0 HHADLN CCCCN(CCO)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C ZINC000448543116 981871909 /nfs/dbraw/zinc/87/19/09/981871909.db2.gz PUOJIZHNLHUWEV-UHFFFAOYSA-N 0 2 423.510 3.561 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)n(-c2ccccc2F)n1 ZINC000437319821 981971338 /nfs/dbraw/zinc/97/13/38/981971338.db2.gz DNXWUZQDQMZXPA-UHFFFAOYSA-N 0 2 401.463 3.959 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)cc(C)c1F ZINC000437402336 982046770 /nfs/dbraw/zinc/04/67/70/982046770.db2.gz GEFRMOMDWPQTBJ-UHFFFAOYSA-N 0 2 403.483 3.517 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc3c(cccc3C(F)(F)F)s2)cs1 ZINC000437402578 982046802 /nfs/dbraw/zinc/04/68/02/982046802.db2.gz CBNGYRWUBFTEIB-UHFFFAOYSA-N 0 2 422.431 3.964 20 0 HHADLN C[C@H]1CCCN(Cc2csc(NS(=O)(=O)c3cc(F)c(F)c(F)c3)n2)C1 ZINC000437414520 982056573 /nfs/dbraw/zinc/05/65/73/982056573.db2.gz UCBNHFZTMOLRNT-JTQLQIEISA-N 0 2 405.467 3.593 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)Nc2ccc(N3CCCC3)nc2)s1 ZINC000437415556 982057642 /nfs/dbraw/zinc/05/76/42/982057642.db2.gz WPULNHUFGOQLKA-UHFFFAOYSA-N 0 2 402.339 3.615 20 0 HHADLN Cc1cc(C[C@H](C)NC(=O)NC[C@@]2(CO)C[C@H]2c2ccccc2)n(-c2ccccc2)n1 ZINC000460384892 982162918 /nfs/dbraw/zinc/16/29/18/982162918.db2.gz HHNBWWTXMSEKIA-VVMVZBAXSA-N 0 2 418.541 3.577 20 0 HHADLN C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccc(Br)c(F)c2)C1=O ZINC000460384514 982163037 /nfs/dbraw/zinc/16/30/37/982163037.db2.gz JHNZXIZWCQSYSS-NSHDSACASA-N 0 2 407.239 3.731 20 0 HHADLN O=S(=O)(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cnn(-c2ccccc2F)c1 ZINC000460437551 982228425 /nfs/dbraw/zinc/22/84/25/982228425.db2.gz OTEQPUAJHFEUFZ-UHFFFAOYSA-N 0 2 415.446 3.854 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1SCC(F)(F)F)c1cnc2n1CCC2 ZINC000437653533 982271803 /nfs/dbraw/zinc/27/18/03/982271803.db2.gz URSFXIMUGGLZHA-UHFFFAOYSA-N 0 2 411.858 3.938 20 0 HHADLN O=S(=O)(Nc1cc(-c2cccs2)nn1-c1ccccc1)c1cnc2n1CCC2 ZINC000437663468 982279244 /nfs/dbraw/zinc/27/92/44/982279244.db2.gz RKUKPOBNJFUQPG-UHFFFAOYSA-N 0 2 411.512 3.544 20 0 HHADLN Cc1cc(Br)c2ccccc2c1NS(=O)(=O)c1cnc2n1CCC2 ZINC000437672992 982288271 /nfs/dbraw/zinc/28/82/71/982288271.db2.gz YHBYGPSZGYLWFJ-UHFFFAOYSA-N 0 2 406.305 3.854 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cc(F)ccc2C)nc1C(F)(F)F ZINC000460537309 982324412 /nfs/dbraw/zinc/32/44/12/982324412.db2.gz YURNHBBKZKGMRD-UHFFFAOYSA-N 0 2 412.386 3.587 20 0 HHADLN O=S(=O)([N-]c1c[nH+]c2c(Br)cccn12)c1ccc(Cl)cc1F ZINC000460650022 982423134 /nfs/dbraw/zinc/42/31/34/982423134.db2.gz QHSVFCFHJWOJAX-UHFFFAOYSA-N 0 2 404.648 3.690 20 0 HHADLN O=S(=O)(Nc1cnc2c(Br)cccn12)c1ccc(Cl)cc1F ZINC000460650022 982423135 /nfs/dbraw/zinc/42/31/35/982423135.db2.gz QHSVFCFHJWOJAX-UHFFFAOYSA-N 0 2 404.648 3.690 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cc(F)c(F)cc1F ZINC000438045754 982547799 /nfs/dbraw/zinc/54/77/99/982547799.db2.gz VHNPLBJQUSNUAE-UHFFFAOYSA-N 0 2 413.402 3.614 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c(Cl)c1Cl ZINC000460822428 982574367 /nfs/dbraw/zinc/57/43/67/982574367.db2.gz LNBQINPTVSCRNS-UHFFFAOYSA-N 0 2 404.197 3.562 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(OC)c(OC)c2OC)c(Cl)c1Cl ZINC000460829373 982580071 /nfs/dbraw/zinc/58/00/71/982580071.db2.gz PGOMNOFBRIOXHH-UHFFFAOYSA-N 0 2 422.286 3.829 20 0 HHADLN COCCOc1ccc(F)cc1NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000460830212 982580165 /nfs/dbraw/zinc/58/01/65/982580165.db2.gz RTNBMXAOGXGSPG-UHFFFAOYSA-N 0 2 424.277 3.967 20 0 HHADLN CCOc1ccc(Br)cc1NS(=O)(=O)CCOc1ccc(F)cc1 ZINC000460834203 982584087 /nfs/dbraw/zinc/58/40/87/982584087.db2.gz GPCWGDXIVHSCKQ-UHFFFAOYSA-N 0 2 418.284 3.808 20 0 HHADLN Cc1ccc(NS(C)(=O)=O)c(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1 ZINC000460836651 982586332 /nfs/dbraw/zinc/58/63/32/982586332.db2.gz QQOUFZQFFDHPJE-UHFFFAOYSA-N 0 2 423.343 3.783 20 0 HHADLN O=S(=O)(Nc1noc(COc2ccc(F)cc2)n1)c1ccc(C(F)(F)F)s1 ZINC000461108243 982798059 /nfs/dbraw/zinc/79/80/59/982798059.db2.gz FIJFDPAOPZLUEA-UHFFFAOYSA-N 0 2 423.369 3.669 20 0 HHADLN COC(=O)c1c(C)csc1NS(=O)(=O)CCc1ccccc1Br ZINC000461108646 982798105 /nfs/dbraw/zinc/79/81/05/982798105.db2.gz BLSBDVZAAXNBDJ-UHFFFAOYSA-N 0 2 418.334 3.590 20 0 HHADLN O=S(=O)(Nc1csc(-c2ccncc2)n1)c1ccc(OCC(F)(F)F)cc1 ZINC000461109048 982798311 /nfs/dbraw/zinc/79/83/11/982798311.db2.gz CDOQNPUQZQANDO-UHFFFAOYSA-N 0 2 415.418 3.947 20 0 HHADLN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1cc(C)ccc1Br ZINC000461143229 982848652 /nfs/dbraw/zinc/84/86/52/982848652.db2.gz MIYVHLPNJSAKJI-UHFFFAOYSA-N 0 2 412.231 3.619 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)s[nH]1 ZINC000438658222 982976132 /nfs/dbraw/zinc/97/61/32/982976132.db2.gz AYKJWNJCPJMMQL-UHFFFAOYSA-N 0 2 422.938 3.810 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccccc2CC(F)(F)F)cn1 ZINC000438752958 983046336 /nfs/dbraw/zinc/04/63/36/983046336.db2.gz HKZKEOJXXIWAIP-UHFFFAOYSA-N 0 2 411.405 3.787 20 0 HHADLN Cc1c(F)cccc1S(=O)(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000438760501 983052122 /nfs/dbraw/zinc/05/21/22/983052122.db2.gz WNDLIEOEMNXBAY-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN CCOc1ccc(OC)cc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000438769466 983059870 /nfs/dbraw/zinc/05/98/70/983059870.db2.gz HCHHVPCEXNJDBN-UHFFFAOYSA-N 0 2 404.257 3.796 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3cccc(CC(F)(F)F)c3)c(F)cc2N1 ZINC000438774492 983062644 /nfs/dbraw/zinc/06/26/44/983062644.db2.gz OLZPBQDODGXLNU-UHFFFAOYSA-N 0 2 402.369 3.616 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cc(F)ccc2SCC(F)F)cs1 ZINC000438782882 983067973 /nfs/dbraw/zinc/06/79/73/983067973.db2.gz ZEISSVJPMDIZIJ-UHFFFAOYSA-N 0 2 411.448 3.832 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cc(Br)ccc2C)cn1 ZINC000438805330 983081830 /nfs/dbraw/zinc/08/18/30/983081830.db2.gz LAZLFNYKPXYSQW-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)cc1Br ZINC000438807946 983083381 /nfs/dbraw/zinc/08/33/81/983083381.db2.gz ALFYGJOPSFIGNK-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2OCCc2ccccc2)cs1 ZINC000438809488 983084811 /nfs/dbraw/zinc/08/48/11/983084811.db2.gz WBRUGLJSGRUQOC-UHFFFAOYSA-N 0 2 417.508 3.957 20 0 HHADLN O=S(=O)(Nc1nc2ccc(Br)cn2n1)c1ccc(Cl)cc1Cl ZINC000438976999 983190183 /nfs/dbraw/zinc/19/01/83/983190183.db2.gz RULPMXUGXBYSBZ-UHFFFAOYSA-N 0 2 422.091 3.599 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)=N1 ZINC000439071015 983236926 /nfs/dbraw/zinc/23/69/26/983236926.db2.gz OEJJXLWXCQJCFN-HOLBHBGLSA-N 0 2 411.527 3.711 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N(CC)CC(=O)Nc2c(C)cccc2C)=N1 ZINC000439108898 983253621 /nfs/dbraw/zinc/25/36/21/983253621.db2.gz DOQOEALHPZFQCI-UHFFFAOYSA-N 0 2 420.513 3.858 20 0 HHADLN O=c1[nH]nc(C2CCN(c3nc(-c4cccc(Cl)c4)nc4c3CCCC4)CC2)[nH]1 ZINC000439127212 983263138 /nfs/dbraw/zinc/26/31/38/983263138.db2.gz ILUFLLZZNFYCBD-UHFFFAOYSA-N 0 2 410.909 3.884 20 0 HHADLN C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439243306 983327925 /nfs/dbraw/zinc/32/79/25/983327925.db2.gz DFWJMYUKSBOMPC-SECBINFHSA-N 0 2 423.217 3.918 20 0 HHADLN C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439245424 983329438 /nfs/dbraw/zinc/32/94/38/983329438.db2.gz KEPWDHYKVXZMNF-YGRLFVJLSA-N 0 2 411.275 3.907 20 0 HHADLN C[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)CO1 ZINC000439421903 983402442 /nfs/dbraw/zinc/40/24/42/983402442.db2.gz KKIQZWRFZKXGDW-VXGBXAGGSA-N 0 2 412.870 3.643 20 0 HHADLN COCCc1nc2cc(NS(=O)(=O)c3ccccc3OC(F)(F)F)ccc2o1 ZINC000439875610 983565231 /nfs/dbraw/zinc/56/52/31/983565231.db2.gz ZYMXBZUCZBQOCT-UHFFFAOYSA-N 0 2 416.377 3.716 20 0 HHADLN Cc1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(F)cc1Br ZINC000439884387 983569140 /nfs/dbraw/zinc/56/91/40/983569140.db2.gz UDCLXQZYJJQOLE-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)cc1F ZINC000440075155 983634165 /nfs/dbraw/zinc/63/41/65/983634165.db2.gz SEEOGGHJXNNNRK-UHFFFAOYSA-N 0 2 406.376 3.952 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)Nc2ccc(COCc3ccccc3)cc2)s[nH]1 ZINC000440762210 983894183 /nfs/dbraw/zinc/89/41/83/983894183.db2.gz YSFVQMMAVCNULF-UHFFFAOYSA-N 0 2 424.526 3.552 20 0 HHADLN CC(C)Cn1ccc2cc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)ccc21 ZINC000440809314 983915636 /nfs/dbraw/zinc/91/56/36/983915636.db2.gz OLDJNQQHKCREBM-UHFFFAOYSA-N 0 2 402.520 3.646 20 0 HHADLN O=S(=O)(Nc1ccc(Sc2ccncc2)cc1)c1cnn(C2CCOCC2)c1 ZINC000440835983 983930271 /nfs/dbraw/zinc/93/02/71/983930271.db2.gz FIRBAWKZFFXKHG-UHFFFAOYSA-N 0 2 416.528 3.582 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)cc1Cl ZINC000441387403 984224470 /nfs/dbraw/zinc/22/44/70/984224470.db2.gz XUUWUOCEQGAJMV-UHFFFAOYSA-N 0 2 415.905 3.507 20 0 HHADLN C[C@H](N(Cc1ccccc1)C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)C(C)(C)C ZINC000441402754 984233348 /nfs/dbraw/zinc/23/33/48/984233348.db2.gz JSVJVBHUTMFKQN-AWEZNQCLSA-N 0 2 402.564 3.659 20 0 HHADLN Cc1ccnc(Oc2ccc(NS(=O)(=O)c3cnn(Cc4ccccc4)c3)cc2)n1 ZINC000441737186 984422697 /nfs/dbraw/zinc/42/26/97/984422697.db2.gz GDZWZEFKSNCBTH-UHFFFAOYSA-N 0 2 421.482 3.623 20 0 HHADLN O=C(NCc1n[nH]c(=O)[nH]1)Nc1ccc(Oc2ccc(F)cc2)c(Br)c1 ZINC000442092273 984631169 /nfs/dbraw/zinc/63/11/69/984631169.db2.gz VFYGMWFLGHEZNJ-UHFFFAOYSA-N 0 2 422.214 3.526 20 0 HHADLN O=S(=O)(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1cnccc1C(F)(F)F ZINC000442224432 984743362 /nfs/dbraw/zinc/74/33/62/984743362.db2.gz UHYJOFPQCICBFS-HZPDHXFCSA-N 0 2 416.421 3.584 20 0 HHADLN Cc1ccc(-c2nc(S(=O)(=O)[C@H](C)C(=O)Nc3ccc(Cl)cc3C)n[nH]2)cc1 ZINC000461803851 984789509 /nfs/dbraw/zinc/78/95/09/984789509.db2.gz SARXKWODADIWKJ-CYBMUJFWSA-N 0 2 418.906 3.543 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(C(=O)NC(C)(C)CC)cc1 ZINC000442339993 984845657 /nfs/dbraw/zinc/84/56/57/984845657.db2.gz HWZMESBLUYSTAM-UHFFFAOYSA-N 0 2 418.515 3.583 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cnn1-c1ccccn1 ZINC000462065403 985037546 /nfs/dbraw/zinc/03/75/46/985037546.db2.gz BWUWFZRBJQPQHN-UHFFFAOYSA-N 0 2 400.357 3.534 20 0 HHADLN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)cc1 ZINC000442608264 985089117 /nfs/dbraw/zinc/08/91/17/985089117.db2.gz VGSBDHBHKKPOAQ-CQSZACIVSA-N 0 2 421.588 3.797 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ncccc1Oc1ccccc1 ZINC000442752778 985203134 /nfs/dbraw/zinc/20/31/34/985203134.db2.gz SLUMYMXVRORMQN-UHFFFAOYSA-N 0 2 401.426 3.501 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccncc1Oc1ccccc1 ZINC000442752908 985203827 /nfs/dbraw/zinc/20/38/27/985203827.db2.gz UBEYIFWIZIUDOR-UHFFFAOYSA-N 0 2 401.426 3.501 20 0 HHADLN CCOCC1(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3)c(F)cc2C)CC1 ZINC000442807648 985221453 /nfs/dbraw/zinc/22/14/53/985221453.db2.gz FMOMOXZZSUJVTI-UHFFFAOYSA-N 0 2 406.479 3.690 20 0 HHADLN O=S(=O)(Nc1ccc(Sc2nncs2)cc1)c1cnccc1C(F)(F)F ZINC000442823393 985228718 /nfs/dbraw/zinc/22/87/18/985228718.db2.gz ZZRHFADVFXPOBP-UHFFFAOYSA-N 0 2 418.447 3.904 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000442824641 985229809 /nfs/dbraw/zinc/22/98/09/985229809.db2.gz JZVPATODQQGTND-UHFFFAOYSA-N 0 2 405.444 3.709 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC000442826544 985230820 /nfs/dbraw/zinc/23/08/20/985230820.db2.gz JOLVGALSPFSSBP-UHFFFAOYSA-N 0 2 423.434 3.893 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000442835886 985238160 /nfs/dbraw/zinc/23/81/60/985238160.db2.gz GZFQPIXSKAHISI-UHFFFAOYSA-N 0 2 406.485 3.916 20 0 HHADLN COc1cc(C(=O)NCc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)cc(Cl)c1O ZINC000442859849 985248534 /nfs/dbraw/zinc/24/85/34/985248534.db2.gz VRBDDMQNHADBBD-GASCZTMLSA-N 0 2 418.921 3.593 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCC(C)(C)c2ccccc2)c(F)c1Cl ZINC000462436446 985404316 /nfs/dbraw/zinc/40/43/16/985404316.db2.gz KIDHZWCDUOSZOO-UHFFFAOYSA-N 0 2 416.877 3.833 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2ccc(Cl)s2)c(F)c1Cl ZINC000462438308 985405630 /nfs/dbraw/zinc/40/56/30/985405630.db2.gz SROAUIYSSKHDCN-UHFFFAOYSA-N 0 2 415.270 3.770 20 0 HHADLN CCOc1ccc2nc(NS(=O)(=O)c3c(C)csc3C(=O)OC)sc2c1 ZINC000443145591 985405857 /nfs/dbraw/zinc/40/58/57/985405857.db2.gz RXJIATYTNKKERQ-UHFFFAOYSA-N 0 2 412.514 3.652 20 0 HHADLN CC[C@]1(C)Oc2ccc(NC(=O)NCc3nnc(COc4ccccc4)[nH]3)cc2O1 ZINC000443354049 985517029 /nfs/dbraw/zinc/51/70/29/985517029.db2.gz HZQAPYTUPXSMDA-OAQYLSRUSA-N 0 2 409.446 3.603 20 0 HHADLN COCCOc1c(Cl)cccc1NS(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000443402156 985556002 /nfs/dbraw/zinc/55/60/02/985556002.db2.gz XTEHMWUVVANLSG-UHFFFAOYSA-N 0 2 411.907 3.880 20 0 HHADLN CCOC(=O)c1ccc(NS(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c(O)c1 ZINC000443411955 985568071 /nfs/dbraw/zinc/56/80/71/985568071.db2.gz HDJXHVFOWKPPSZ-UHFFFAOYSA-N 0 2 418.496 3.802 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)cc1OCC1CCCCC1 ZINC000443454263 985622619 /nfs/dbraw/zinc/62/26/19/985622619.db2.gz OPRRKBWKEFOMRM-LJQANCHMSA-N 0 2 419.547 3.913 20 0 HHADLN Cc1ccccc1COc1cccc(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1 ZINC000443456296 985626471 /nfs/dbraw/zinc/62/64/71/985626471.db2.gz TZAGZJUCKBCJFP-IBGZPJMESA-N 0 2 413.499 3.533 20 0 HHADLN CCn1c2ccccc2c2cc(NS(=O)(=O)c3cnn([C@H]4CCOC4)c3)ccc21 ZINC000443465920 985640920 /nfs/dbraw/zinc/64/09/20/985640920.db2.gz HYMLMDKYHRRSOM-INIZCTEOSA-N 0 2 410.499 3.773 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1c(F)cc(F)cc1F ZINC000443577434 985752776 /nfs/dbraw/zinc/75/27/76/985752776.db2.gz DDYZTIBFUKYAGI-UHFFFAOYSA-N 0 2 413.402 3.614 20 0 HHADLN CCOc1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)ccc1C ZINC000443580792 985756106 /nfs/dbraw/zinc/75/61/06/985756106.db2.gz KVMFOMWIEDPLSO-UHFFFAOYSA-N 0 2 417.512 3.903 20 0 HHADLN O=C(CCCOc1ccccc1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443586493 985762244 /nfs/dbraw/zinc/76/22/44/985762244.db2.gz WHCJXTCRCOQGPE-UHFFFAOYSA-N 0 2 417.512 3.742 20 0 HHADLN Cc1cc(O)ccc1NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443599775 985776708 /nfs/dbraw/zinc/77/67/08/985776708.db2.gz FDGJSCSZWDRTAI-UHFFFAOYSA-N 0 2 404.473 3.602 20 0 HHADLN Cc1c(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cnn1CCO[C@@H]1CCCCO1 ZINC000463110387 986072762 /nfs/dbraw/zinc/07/27/62/986072762.db2.gz YXYVNXHTYJHCCO-MRXNPFEDSA-N 0 2 414.289 3.999 20 0 HHADLN C[C@@H](CC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)NC(=O)c1ccccc1 ZINC000463161637 986133393 /nfs/dbraw/zinc/13/33/93/986133393.db2.gz OAPLCNAMPDHBFS-NSHDSACASA-N 0 2 418.284 3.926 20 0 HHADLN CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463161277 986133425 /nfs/dbraw/zinc/13/34/25/986133425.db2.gz MLCWDJHNIBAKIT-AWEZNQCLSA-N 0 2 410.305 3.754 20 0 HHADLN CC(=O)N1CCC(CCC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)CC1 ZINC000463164135 986135125 /nfs/dbraw/zinc/13/51/25/986135125.db2.gz KAFLCAIPVRTWBV-UHFFFAOYSA-N 0 2 410.305 3.756 20 0 HHADLN C[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C[C@H](C)C1 ZINC000443928483 986136160 /nfs/dbraw/zinc/13/61/60/986136160.db2.gz MKBIHPXPXBOASV-UONOGXRCSA-N 0 2 408.549 3.844 20 0 HHADLN Cc1cc(Br)cc(S(=O)(=O)Nc2ccnn2Cc2ccccc2)c1 ZINC000444042714 986239876 /nfs/dbraw/zinc/23/98/76/986239876.db2.gz BXORJTLAGJNGLU-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2nccs2)c1 ZINC000468535972 986241962 /nfs/dbraw/zinc/24/19/62/986241962.db2.gz KOQDVJPRKDONDZ-UHFFFAOYSA-N 0 2 408.476 3.775 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccco2)o1)c1c(Cl)cc(F)cc1Br ZINC000444064187 986266895 /nfs/dbraw/zinc/26/68/95/986266895.db2.gz JHHOOCFCFQNJSB-UHFFFAOYSA-N 0 2 422.619 3.685 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccco2)o1)c1cc(Br)ccc1Cl ZINC000444064254 986267273 /nfs/dbraw/zinc/26/72/73/986267273.db2.gz VAPQEQOGZXTFFQ-UHFFFAOYSA-N 0 2 404.629 3.546 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccc2)o1)c1cc(F)c(Br)cc1F ZINC000463373882 986340361 /nfs/dbraw/zinc/34/03/61/986340361.db2.gz YRACDGRNXKLYKD-UHFFFAOYSA-N 0 2 416.203 3.578 20 0 HHADLN COc1ccc(-c2nsc(NS(=O)(=O)c3cc(Cl)ccc3C)n2)cc1F ZINC000444185430 986363011 /nfs/dbraw/zinc/36/30/11/986363011.db2.gz CWAZMPBNAQHGGG-UHFFFAOYSA-N 0 2 413.883 3.537 20 0 HHADLN CSc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000444194248 986372438 /nfs/dbraw/zinc/37/24/38/986372438.db2.gz MHTPXWLJZJPUEV-OAHLLOKOSA-N 0 2 400.529 3.719 20 0 HHADLN COc1ccc(-c2nsc(NS(=O)(=O)c3cccc4ccccc43)n2)cc1F ZINC000444198631 986377257 /nfs/dbraw/zinc/37/72/57/986377257.db2.gz TZBVSCZBUHNQQT-UHFFFAOYSA-N 0 2 415.471 3.729 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)=N1 ZINC000468673219 986381689 /nfs/dbraw/zinc/38/16/89/986381689.db2.gz NPXRKIACRZVIHF-IBGZPJMESA-N 0 2 408.477 3.766 20 0 HHADLN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)s1 ZINC000444214293 986398258 /nfs/dbraw/zinc/39/82/58/986398258.db2.gz QYMVPQBXZMXJQC-UHFFFAOYSA-N 0 2 404.304 3.653 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC(N(C)c3ccccc3)CC2)=N1 ZINC000468696933 986410445 /nfs/dbraw/zinc/41/04/45/986410445.db2.gz YWECRRNOXPXPIA-UHFFFAOYSA-N 0 2 408.477 3.766 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)=N1 ZINC000468703975 986417102 /nfs/dbraw/zinc/41/71/02/986417102.db2.gz YMUFMVQIIOYASB-LJQANCHMSA-N 0 2 415.852 3.893 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC(OCc3ccccc3)CC2)=N1 ZINC000468731945 986445223 /nfs/dbraw/zinc/44/52/23/986445223.db2.gz BJUCQFJUWHTNMY-UHFFFAOYSA-N 0 2 409.461 3.847 20 0 HHADLN Cc1cc(Oc2ccc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)cc2)n[nH]1 ZINC000468786406 986498096 /nfs/dbraw/zinc/49/80/96/986498096.db2.gz BTKQCHWXJJWJKP-UHFFFAOYSA-N 0 2 413.434 3.636 20 0 HHADLN C[C@@H](Oc1cccc2ccccc21)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000444367501 986545487 /nfs/dbraw/zinc/54/54/87/986545487.db2.gz ILZARWFVPUTTGN-MRXNPFEDSA-N 0 2 402.454 3.621 20 0 HHADLN CCCCc1nnc(NS(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)s1 ZINC000468901113 986607689 /nfs/dbraw/zinc/60/76/89/986607689.db2.gz ICOJQKKITPTLOE-LLVKDONJSA-N 0 2 419.956 3.749 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cc(C)c(C)c2ncccc12 ZINC000468978059 986682480 /nfs/dbraw/zinc/68/24/80/986682480.db2.gz OXZGKWZAJGEQIM-UHFFFAOYSA-N 0 2 404.463 3.817 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)cn1 ZINC000444534513 986723292 /nfs/dbraw/zinc/72/32/92/986723292.db2.gz PPUPZUHQJCIIHU-UHFFFAOYSA-N 0 2 403.408 3.774 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc4c(C(C)C)nn(C)c4s3)s[nH]2)c1 ZINC000463758934 986749265 /nfs/dbraw/zinc/74/92/65/986749265.db2.gz GORIIYIJJAZDLW-UHFFFAOYSA-N 0 2 413.528 3.960 20 0 HHADLN COC(=O)c1cncc(NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)c1 ZINC000469039482 986749401 /nfs/dbraw/zinc/74/94/01/986749401.db2.gz QNXGBEJLZUGPBU-UHFFFAOYSA-N 0 2 410.879 3.501 20 0 HHADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1c(C)noc1C1CC1 ZINC000463791752 986783157 /nfs/dbraw/zinc/78/31/57/986783157.db2.gz SHHRYFBASDDSFV-UHFFFAOYSA-N 0 2 401.282 3.741 20 0 HHADLN Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000463794888 986785825 /nfs/dbraw/zinc/78/58/25/986785825.db2.gz KDXCEZQLUZRWDI-UHFFFAOYSA-N 0 2 413.377 3.787 20 0 HHADLN COc1cc(S(=O)(=O)Nc2nnc(SCc3cccs3)s2)ccc1F ZINC000469133231 986852785 /nfs/dbraw/zinc/85/27/85/986852785.db2.gz ZSIYFCLXRFNJCK-UHFFFAOYSA-N 0 2 417.534 3.840 20 0 HHADLN COc1cc(S(=O)(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)ccc1F ZINC000469171484 986896174 /nfs/dbraw/zinc/89/61/74/986896174.db2.gz WVNJQQCKZKWBFQ-SFHVURJKSA-N 0 2 401.463 3.757 20 0 HHADLN CC(C)[C@@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000444878680 987031086 /nfs/dbraw/zinc/03/10/86/987031086.db2.gz VIMWSAMPKYUIOU-CQSZACIVSA-N 0 2 408.549 3.844 20 0 HHADLN CC[C@@H](c1n[n-]c(=NC(=O)N2CCC[C@H](c3[nH+]ccn3C)C2)s1)c1ccccc1 ZINC000444888574 987038540 /nfs/dbraw/zinc/03/85/40/987038540.db2.gz KLILCVAPDPXHTJ-DLBZAZTESA-N 0 2 410.547 3.647 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CC[C@@H](c4c(F)cccc4F)C3)s[nH]2)c1 ZINC000469656043 987313400 /nfs/dbraw/zinc/31/34/00/987313400.db2.gz WBQWITMULSSISE-CYBMUJFWSA-N 0 2 416.453 3.935 20 0 HHADLN CC(C)[C@H]1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)CC1 ZINC000469758357 987412129 /nfs/dbraw/zinc/41/21/29/987412129.db2.gz XAGCASAVSHQTTG-GJZGRUSLSA-N 0 2 424.592 3.617 20 0 HHADLN CC(C)c1cc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)[nH]n1 ZINC000469970812 987588519 /nfs/dbraw/zinc/58/85/19/987588519.db2.gz DKXFZCVOBGDLOW-UHFFFAOYSA-N 0 2 409.405 3.751 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN4CCc5ncsc5C4)nc(=O)c3s2)cc1 ZINC000445838738 987909519 /nfs/dbraw/zinc/90/95/19/987909519.db2.gz AWUVWJUGMUEZOK-UHFFFAOYSA-N 0 2 410.524 3.675 20 0 HHADLN CC(C)OC(=O)C[C@H]1CCCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)C1 ZINC000463948746 988059224 /nfs/dbraw/zinc/05/92/24/988059224.db2.gz HVUGEXKTTAQNJY-CYBMUJFWSA-N 0 2 422.938 3.866 20 0 HHADLN CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C1 ZINC000463952788 988063797 /nfs/dbraw/zinc/06/37/97/988063797.db2.gz SRZXHMUBWDBDOR-GFCCVEGCSA-N 0 2 422.938 3.866 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)c1 ZINC000464418178 988589149 /nfs/dbraw/zinc/58/91/49/988589149.db2.gz GIGBUBZCBHAVQR-UHFFFAOYSA-N 0 2 414.506 3.844 20 0 HHADLN Cc1cccc(CS(=O)(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2)c1 ZINC000464418416 988589976 /nfs/dbraw/zinc/58/99/76/988589976.db2.gz BGOMPHSNDUQGDP-UHFFFAOYSA-N 0 2 416.524 3.738 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)s1 ZINC000464419407 988591126 /nfs/dbraw/zinc/59/11/26/988591126.db2.gz JNDYMLVGMAUVNQ-UHFFFAOYSA-N 0 2 402.545 3.766 20 0 HHADLN CCc1c(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cnn1-c1ccccc1OC ZINC000470709386 988729235 /nfs/dbraw/zinc/72/92/35/988729235.db2.gz IJFGXGRSPFTVSZ-UHFFFAOYSA-N 0 2 424.411 3.759 20 0 HHADLN Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)n(C)n1 ZINC000470792436 988849283 /nfs/dbraw/zinc/84/92/83/988849283.db2.gz MRBHOVDVIPWGGN-UHFFFAOYSA-N 0 2 418.478 3.915 20 0 HHADLN COc1ccc(OC(F)F)c(CNC(=O)N=c2nc(-c3ccccc3)[nH]s2)c1 ZINC000464890459 989158392 /nfs/dbraw/zinc/15/83/92/989158392.db2.gz HQDZKZKPAPYZSU-UHFFFAOYSA-N 0 2 406.414 3.559 20 0 HHADLN CC[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)CCS1 ZINC000464933605 989219487 /nfs/dbraw/zinc/21/94/87/989219487.db2.gz HKWOOQFQWIXDQE-OAHLLOKOSA-N 0 2 410.586 3.825 20 0 HHADLN CCS(=O)(=O)c1ccccc1Oc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1 ZINC000465266018 989620294 /nfs/dbraw/zinc/62/02/94/989620294.db2.gz MOARKSXVWVNNCR-UHFFFAOYSA-N 0 2 422.466 3.796 20 0 HHADLN Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccccc1OCCn1cc[nH+]c1 ZINC000471500154 989697434 /nfs/dbraw/zinc/69/74/34/989697434.db2.gz JMCACALZTHFTLJ-UHFFFAOYSA-N 0 2 415.446 3.957 20 0 HHADLN CC(=O)c1cccc(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)c1 ZINC000471502469 989699722 /nfs/dbraw/zinc/69/97/22/989699722.db2.gz GWSIIAMZCCBBNM-UHFFFAOYSA-N 0 2 401.513 3.867 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3cccc(Cl)c3C)s2)c1 ZINC000471506316 989703885 /nfs/dbraw/zinc/70/38/85/989703885.db2.gz SZIBIBMSQWRQKT-UHFFFAOYSA-N 0 2 409.920 3.900 20 0 HHADLN COC(=O)CCCc1nnc(NS(=O)(=O)c2ccccc2-c2ccccc2)s1 ZINC000471508628 989706452 /nfs/dbraw/zinc/70/64/52/989706452.db2.gz RHQCBRTYVBVNIK-UHFFFAOYSA-N 0 2 417.512 3.502 20 0 HHADLN Cc1cn([C@H](C)c2ccccc2)nc1NS(=O)(=O)CCOc1ccc(F)cc1 ZINC000471581888 989785746 /nfs/dbraw/zinc/78/57/46/989785746.db2.gz RMCRAEKTHVWEIW-MRXNPFEDSA-N 0 2 403.479 3.761 20 0 HHADLN Cc1ccc(-c2noc([C@@H](C)NS(=O)(=O)c3c(F)cc(F)cc3F)n2)cc1F ZINC000471872451 990044589 /nfs/dbraw/zinc/04/45/89/990044589.db2.gz VIWQYAZXGKNSEQ-SECBINFHSA-N 0 2 415.368 3.641 20 0 HHADLN Cn1ccnc1Sc1ccccc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000471926150 990092514 /nfs/dbraw/zinc/09/25/14/990092514.db2.gz ZUAORWHBKMDOLI-UHFFFAOYSA-N 0 2 402.476 3.993 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1cc2c(cc1Sc1ccccc1)OCCO2 ZINC000471934859 990100125 /nfs/dbraw/zinc/10/01/25/990100125.db2.gz YOUSDDAQOQQTQS-UHFFFAOYSA-N 0 2 417.512 3.626 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1cc(-c2ccco2)nn1-c1ccc(Cl)cc1 ZINC000471940624 990105184 /nfs/dbraw/zinc/10/51/84/990105184.db2.gz CGUUKOVGKRUJHK-UHFFFAOYSA-N 0 2 417.878 3.803 20 0 HHADLN O=C(Nc1ccccc1NS(=O)(=O)c1c[nH]c2cccc(F)c21)N1CCCC1 ZINC000471941676 990106304 /nfs/dbraw/zinc/10/63/04/990106304.db2.gz HEGQWFCVSLSZHR-UHFFFAOYSA-N 0 2 402.451 3.736 20 0 HHADLN Cc1noc(-c2ccccc2)c1NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 ZINC000472007832 990176403 /nfs/dbraw/zinc/17/64/03/990176403.db2.gz XAKMHRITOAJJOS-UHFFFAOYSA-N 0 2 403.460 3.572 20 0 HHADLN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N(CCc2ccccc2)c2ccccc2)c1 ZINC000466229883 991453482 /nfs/dbraw/zinc/45/34/82/991453482.db2.gz XSNLJRXLZSMLEC-UHFFFAOYSA-N 0 2 424.522 3.532 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000466283599 991530548 /nfs/dbraw/zinc/53/05/48/991530548.db2.gz ROYQLXMVLXDWDF-UHFFFAOYSA-N 0 2 405.369 3.908 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cnn(-c4ccc(C)cc4C)c3)cc21 ZINC000466426490 991716201 /nfs/dbraw/zinc/71/62/01/991716201.db2.gz RDISTQYFOBLRBV-UHFFFAOYSA-N 0 2 424.526 3.589 20 0 HHADLN COc1ccc2c(c1)[C@@H](NC(=O)N=c1nc(-c3ccccc3Cl)[nH]s1)CCO2 ZINC000466919610 992233118 /nfs/dbraw/zinc/23/31/18/992233118.db2.gz INKCPSPEJJWAHS-HNNXBMFYSA-N 0 2 416.890 3.934 20 0 HHADLN Cc1cc(C)c(C)c(S(=O)(=O)Nc2nc3ccc(Br)cn3n2)c1C ZINC000466957626 992267892 /nfs/dbraw/zinc/26/78/92/992267892.db2.gz KMVBRUUEWDVFMK-UHFFFAOYSA-N 0 2 409.309 3.526 20 0 HHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2nc3ccc(Br)cn3n2)s1 ZINC000466967625 992278736 /nfs/dbraw/zinc/27/87/36/992278736.db2.gz PIHCTANBPZLCSJ-UHFFFAOYSA-N 0 2 415.338 3.652 20 0 HHADLN CCn1c(=O)oc2cc(S(=O)(=O)Nc3scnc3-c3ccccc3)ccc21 ZINC000467012993 992320636 /nfs/dbraw/zinc/32/06/36/992320636.db2.gz LFJUEULIPZEMAD-UHFFFAOYSA-N 0 2 401.469 3.539 20 0 HHADLN CCn1c2ccc(S(=O)(=O)Nc3cc(C4CCCCCC4)n[nH]3)cc2oc1=O ZINC000467029687 992337905 /nfs/dbraw/zinc/33/79/05/992337905.db2.gz WKWGBBODLJKHLX-UHFFFAOYSA-N 0 2 404.492 3.576 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2SC(C)C)cn1C ZINC000467087383 992393251 /nfs/dbraw/zinc/39/32/51/992393251.db2.gz YVZFUCSHDOAOFK-UHFFFAOYSA-N 0 2 402.925 3.766 20 0 HHADLN COc1ccc2nc(NC(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)sc2c1 ZINC000467096756 992402487 /nfs/dbraw/zinc/40/24/87/992402487.db2.gz KPGHOHCVQDQNGE-UHFFFAOYSA-N 0 2 401.473 3.679 20 0 HHADLN C[N@H+](CCN(Cc1ccccc1)C(=O)[C@H]1CCCc2[nH]ncc21)Cc1ccccc1 ZINC000467211851 992536748 /nfs/dbraw/zinc/53/67/48/992536748.db2.gz PKHPTLJWVNRSRA-QFIPXVFZSA-N 0 2 402.542 3.990 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N(CCCO)[C@@H]1CCCc2ccccc21 ZINC000467229240 992552052 /nfs/dbraw/zinc/55/20/52/992552052.db2.gz JRJDBKBBOOFFHI-LJQANCHMSA-N 0 2 408.527 3.921 20 0 HHADLN Cc1sc2[nH]c([C@H](C)N(C)Cc3nc(=O)c4sccc4[nH]3)nc(=O)c2c1C ZINC000467288213 992611707 /nfs/dbraw/zinc/61/17/07/992611707.db2.gz GLQJREMQNLNULZ-VIFPVBQESA-N 0 2 401.517 3.917 20 0 HHADLN Cc1ccnc(-c2ccc(NC(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)cc2)n1 ZINC000467363557 992680931 /nfs/dbraw/zinc/68/09/31/992680931.db2.gz CJODOJFGRVJZJP-UHFFFAOYSA-N 0 2 406.471 3.826 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 ZINC000472436903 993438869 /nfs/dbraw/zinc/43/88/69/993438869.db2.gz AGUSLNOBPGQKMA-UHFFFAOYSA-N 0 2 422.919 3.642 20 0 HHADLN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)cc1 ZINC000481058762 993900289 /nfs/dbraw/zinc/90/02/89/993900289.db2.gz LGRUUKSGIHETGC-UHFFFAOYSA-N 0 2 418.906 3.619 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000481135456 993969735 /nfs/dbraw/zinc/96/97/35/993969735.db2.gz FFNLNNFMOQOYBY-UHFFFAOYSA-N 0 2 422.503 3.777 20 0 HHADLN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)c1 ZINC000473128177 994016839 /nfs/dbraw/zinc/01/68/39/994016839.db2.gz NLITYTIEEQWRFS-DGCLKSJQSA-N 0 2 400.385 3.509 20 0 HHADLN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)c1 ZINC000473128175 994017060 /nfs/dbraw/zinc/01/70/60/994017060.db2.gz NLITYTIEEQWRFS-AAEUAGOBSA-N 0 2 400.385 3.509 20 0 HHADLN CCS[C@H]1CCC[C@H]1NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000481358605 994184772 /nfs/dbraw/zinc/18/47/72/994184772.db2.gz LNCVHOZXGKLAQP-PWSUYJOCSA-N 0 2 412.911 3.529 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cnn(C(C)(C)C)c3)cc2c1C ZINC000473403109 994257761 /nfs/dbraw/zinc/25/77/61/994257761.db2.gz SXVIBSKNEVQEPS-UHFFFAOYSA-N 0 2 405.476 3.670 20 0 HHADLN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000481656434 994518706 /nfs/dbraw/zinc/51/87/06/994518706.db2.gz LZKAQMWSOHBVSN-SNVBAGLBSA-N 0 2 424.452 3.885 20 0 HHADLN CCCC(=O)Nc1cccc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)c1C ZINC000473663374 994551374 /nfs/dbraw/zinc/55/13/74/994551374.db2.gz SBLAEMAMLUOYFQ-UHFFFAOYSA-N 0 2 422.489 3.752 20 0 HHADLN CC(C)(C)C(=O)c1ccc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000473693478 994584506 /nfs/dbraw/zinc/58/45/06/994584506.db2.gz JHTZQCRMICIEEQ-UHFFFAOYSA-N 0 2 407.474 3.934 20 0 HHADLN Cc1ccc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1OC(F)F ZINC000473698260 994589736 /nfs/dbraw/zinc/58/97/36/994589736.db2.gz SKBMHOXTWKIEOA-UHFFFAOYSA-N 0 2 403.389 3.615 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1cccc(CC(F)(F)F)c1 ZINC000473709909 994602396 /nfs/dbraw/zinc/60/23/96/994602396.db2.gz LQVHAGVGDLZERN-UHFFFAOYSA-N 0 2 405.380 3.810 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000473727245 994622506 /nfs/dbraw/zinc/62/25/06/994622506.db2.gz WRUCCOPIGBLVJT-MRVPVSSYSA-N 0 2 408.211 3.601 20 0 HHADLN Cc1ccc(-c2nc(SCC(=O)N=c3nc(-c4ccsc4)[nH]s3)n[nH]2)cc1 ZINC000481791893 994639564 /nfs/dbraw/zinc/63/95/64/994639564.db2.gz CVJJAVDSTSDQPM-UHFFFAOYSA-N 0 2 414.541 3.513 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1cccnc1-c1ccccc1 ZINC000473741776 994642593 /nfs/dbraw/zinc/64/25/93/994642593.db2.gz KTJNYDUIKROCLK-UHFFFAOYSA-N 0 2 400.442 3.767 20 0 HHADLN Cc1cc2c(cc1S(=O)(=O)Nc1nnc(C(C)(C)c3ccccc3)s1)OCO2 ZINC000481815638 994666107 /nfs/dbraw/zinc/66/61/07/994666107.db2.gz PFOUIZGDHUKXTC-UHFFFAOYSA-N 0 2 417.512 3.702 20 0 HHADLN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3cccc4[nH]cnc43)ccc2s1 ZINC000481816851 994666181 /nfs/dbraw/zinc/66/61/81/994666181.db2.gz RBQVDKLUNOSHTM-UHFFFAOYSA-N 0 2 401.469 3.755 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3nnc(C(C)(C)C)s3)cc2c1C ZINC000473761295 994674145 /nfs/dbraw/zinc/67/41/45/994674145.db2.gz MTESXQAWJFXUFQ-UHFFFAOYSA-N 0 2 423.516 3.868 20 0 HHADLN C[C@H]1CN(c2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cn2)C[C@H](C)O1 ZINC000481838207 994690503 /nfs/dbraw/zinc/69/05/03/994690503.db2.gz AESMOMSCEPJELT-RYUDHWBXSA-N 0 2 416.330 3.803 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3ccc4ncsc4c3)o2)cc1 ZINC000481845049 994699642 /nfs/dbraw/zinc/69/96/42/994699642.db2.gz HELYLMTXWVBVKV-UHFFFAOYSA-N 0 2 402.457 3.546 20 0 HHADLN Cc1c(Br)cccc1S(=O)(=O)Nc1nnc(-c2cccs2)o1 ZINC000481844976 994699795 /nfs/dbraw/zinc/69/97/95/994699795.db2.gz LBLZISONLWBSSL-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN Cc1cc2c(cc1S(=O)(=O)Nc1nnc(-c3cccc4ccccc43)o1)OCO2 ZINC000481846773 994702659 /nfs/dbraw/zinc/70/26/59/994702659.db2.gz JZMYNJNFCTWNEL-UHFFFAOYSA-N 0 2 409.423 3.728 20 0 HHADLN CC[C@@H](C)n1ncc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)c1C1CC1 ZINC000473780898 994703989 /nfs/dbraw/zinc/70/39/89/994703989.db2.gz WONPGYNQDFBPPX-CQSZACIVSA-N 0 2 409.494 3.750 20 0 HHADLN CCCOc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(OCC)cc3)o2)cc1 ZINC000481850130 994706415 /nfs/dbraw/zinc/70/64/15/994706415.db2.gz ZGDFWFUVKWPCCR-UHFFFAOYSA-N 0 2 403.460 3.725 20 0 HHADLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)s1 ZINC000481850492 994706919 /nfs/dbraw/zinc/70/69/19/994706919.db2.gz YDRPSOGMFVCWHZ-LLVKDONJSA-N 0 2 405.476 3.777 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3cc(F)ccc3C)s2)c(C)c1F ZINC000481858575 994716802 /nfs/dbraw/zinc/71/68/02/994716802.db2.gz MPCCTPAFKBLOPP-UHFFFAOYSA-N 0 2 411.455 3.910 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2nc3cc(F)c(C)cc3s2)cc1 ZINC000481860859 994720606 /nfs/dbraw/zinc/72/06/06/994720606.db2.gz IMQYQYYTZAFAAT-UHFFFAOYSA-N 0 2 410.492 3.960 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3cc(C)c(F)cc3Cl)o2)c1 ZINC000481868613 994730776 /nfs/dbraw/zinc/73/07/76/994730776.db2.gz CDYYRPJXCCIPQL-UHFFFAOYSA-N 0 2 411.842 3.571 20 0 HHADLN O=S(=O)(Cc1ccc(Br)cc1)Nc1ncc(-c2ccccc2)cn1 ZINC000481877311 994742423 /nfs/dbraw/zinc/74/24/23/994742423.db2.gz XFXGITJDEYZRSH-UHFFFAOYSA-N 0 2 404.289 3.848 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccccc2)cn1)c1cc(F)ccc1Br ZINC000481877159 994742546 /nfs/dbraw/zinc/74/25/46/994742546.db2.gz XAXSGNBIBTXDJR-UHFFFAOYSA-N 0 2 408.252 3.846 20 0 HHADLN COC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000481897145 994767215 /nfs/dbraw/zinc/76/72/15/994767215.db2.gz HLQNITFBUVVEQD-UHFFFAOYSA-N 0 2 423.434 3.893 20 0 HHADLN Cc1ccc2cccnc2c1S(=O)(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000481939493 994814833 /nfs/dbraw/zinc/81/48/33/994814833.db2.gz BJPSGUNVOSEPMT-UHFFFAOYSA-N 0 2 414.487 3.925 20 0 HHADLN O=C(NCCSc1ccc(Cl)cc1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473897008 994853702 /nfs/dbraw/zinc/85/37/02/994853702.db2.gz QXXGUUBXEGJTTJ-UHFFFAOYSA-N 0 2 417.922 3.629 20 0 HHADLN Cc1nc(NS(=O)(=O)c2csc(-c3cccc(Br)c3)n2)oc1C ZINC000481966074 994854729 /nfs/dbraw/zinc/85/47/29/994854729.db2.gz ZJMJIVXHDSQAAX-UHFFFAOYSA-N 0 2 414.306 3.978 20 0 HHADLN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473903462 994864042 /nfs/dbraw/zinc/86/40/42/994864042.db2.gz SEKDTDQPVDAYPB-QGZVFWFLSA-N 0 2 409.490 3.798 20 0 HHADLN O=C(N[C@@H](c1ccccc1)C(F)F)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000482048968 994972184 /nfs/dbraw/zinc/97/21/84/994972184.db2.gz YZJCUGBZFHQHPC-HNNXBMFYSA-N 0 2 423.466 3.680 20 0 HHADLN C[C@@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ncc(-c2ccccc2)o1 ZINC000474035859 995026808 /nfs/dbraw/zinc/02/68/08/995026808.db2.gz QTJOOBFPHLRGCV-OAHLLOKOSA-N 0 2 418.457 3.599 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(C4CCCCCC4)n[nH]3)cc2C[C@H]1C ZINC000474410105 995376481 /nfs/dbraw/zinc/37/64/81/995376481.db2.gz JMOGRHMDGHNLCE-CQSZACIVSA-N 0 2 416.547 3.946 20 0 HHADLN C[C@H](CC(=O)NCc1nnc(COc2ccccc2)[nH]1)C(=O)c1ccc(Cl)cc1 ZINC000474578720 995539467 /nfs/dbraw/zinc/53/94/67/995539467.db2.gz MAXHVZMAUKNPBV-CQSZACIVSA-N 0 2 412.877 3.562 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cnc(-c2ccccc2F)s1 ZINC000474583177 995542735 /nfs/dbraw/zinc/54/27/35/995542735.db2.gz UXQVSXFPZGDCLB-UHFFFAOYSA-N 0 2 409.446 3.576 20 0 HHADLN C[C@H]1CCc2[nH]c3ccc(C(=O)NCc4nnc(COc5ccccc5)[nH]4)cc3c2C1 ZINC000474586040 995544980 /nfs/dbraw/zinc/54/49/80/995544980.db2.gz NZHNGEQXHRBQRP-HNNXBMFYSA-N 0 2 415.497 3.920 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)C1c2ccccc2Oc2ccccc21 ZINC000474598572 995556338 /nfs/dbraw/zinc/55/63/38/995556338.db2.gz XGHIXXMNACWTBF-UHFFFAOYSA-N 0 2 412.449 3.938 20 0 HHADLN CCc1nnc(NS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)s1 ZINC000474599308 995557534 /nfs/dbraw/zinc/55/75/34/995557534.db2.gz YMCBJKITQYOCOL-UHFFFAOYSA-N 0 2 417.137 3.971 20 0 HHADLN COc1c(CNC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)oc2ccccc21 ZINC000474838042 995742802 /nfs/dbraw/zinc/74/28/02/995742802.db2.gz ROKAQCBIUADLCE-UHFFFAOYSA-N 0 2 410.455 3.712 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC000482779019 995743219 /nfs/dbraw/zinc/74/32/19/995743219.db2.gz HLPFNQJSJKAZNC-UHFFFAOYSA-N 0 2 408.464 3.732 20 0 HHADLN Cc1cccc2c(=O)c(C(=O)N3CCO[C@@H](c4cccc(OC(F)F)c4)C3)c[nH]c12 ZINC000483257005 996064705 /nfs/dbraw/zinc/06/47/05/996064705.db2.gz PBBCUENMJANLGE-GOSISDBHSA-N 0 2 414.408 3.652 20 0 HHADLN COc1cccc(-c2noc([C@H](C)NC(=O)N=c3nc(-c4ccccc4)[nH]s3)n2)c1 ZINC000475642525 996271190 /nfs/dbraw/zinc/27/11/90/996271190.db2.gz IEJULIIERCDXQL-LBPRGKRZSA-N 0 2 422.470 3.568 20 0 HHADLN COC(=O)CCSCc1cccc(NS(=O)(=O)c2cc(F)c(C)cc2F)c1 ZINC000475732597 996331785 /nfs/dbraw/zinc/33/17/85/996331785.db2.gz HWYBZGUHFQTUHT-UHFFFAOYSA-N 0 2 415.483 3.870 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(OC)cc2Br)c1C ZINC000475807546 996383626 /nfs/dbraw/zinc/38/36/26/996383626.db2.gz RJCLTRSCQOWNRL-JTQLQIEISA-N 0 2 402.314 3.734 20 0 HHADLN CNC(=O)c1cc2cc(NS(=O)(=O)c3c(Cl)ccc(C)c3Cl)ccc2[nH]1 ZINC000475828551 996397800 /nfs/dbraw/zinc/39/78/00/996397800.db2.gz KVUBBSLRIOBCKP-UHFFFAOYSA-N 0 2 412.298 3.944 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)c3ccccc3)cc2)nc(C)n1 ZINC000483896985 996455620 /nfs/dbraw/zinc/45/56/20/996455620.db2.gz LEIDRCJXTXQRAP-HNNXBMFYSA-N 0 2 410.499 3.636 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)cc1OC(C)C ZINC000484069339 996552723 /nfs/dbraw/zinc/55/27/23/996552723.db2.gz FKBWRKYVIWANLF-UHFFFAOYSA-N 0 2 401.843 3.854 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2cnn([C@H](C)CC)c2C2CC2)c1 ZINC000484070934 996553506 /nfs/dbraw/zinc/55/35/06/996553506.db2.gz HMRVLIXEQIWVTQ-GFCCVEGCSA-N 0 2 409.483 3.848 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1cc(Br)cc(Cl)c1O ZINC000484082961 996560692 /nfs/dbraw/zinc/56/06/92/996560692.db2.gz VGBFJZHKAJIHMK-UHFFFAOYSA-N 0 2 406.685 3.755 20 0 HHADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)cc1OC(C)C ZINC000484113304 996577593 /nfs/dbraw/zinc/57/75/93/996577593.db2.gz UVHXNAPRHVQHEZ-UHFFFAOYSA-N 0 2 401.843 3.854 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(-c4ccccc4)[nH]c3=O)s[nH]2)c1 ZINC000476288992 996733648 /nfs/dbraw/zinc/73/36/48/996733648.db2.gz RFNXIUPIQSBCNW-UHFFFAOYSA-N 0 2 404.451 3.656 20 0 HHADLN CCCCCn1nc(C)cc1NS(=O)(=O)c1ccc(OC)c(Br)c1 ZINC000484441093 996765668 /nfs/dbraw/zinc/76/56/68/996765668.db2.gz OHRWPIMSMNLHKQ-UHFFFAOYSA-N 0 2 416.341 3.954 20 0 HHADLN Cc1ccccc1-c1nc(CNC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)no1 ZINC000476355812 996781232 /nfs/dbraw/zinc/78/12/32/996781232.db2.gz NPWPALLAOXEIQV-UHFFFAOYSA-N 0 2 409.833 3.520 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2cccc(Cl)c2OC)c1 ZINC000476376353 996814798 /nfs/dbraw/zinc/81/47/98/996814798.db2.gz RJPMTXACFXZLSS-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN CSc1ccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1Cl ZINC000476397975 996854006 /nfs/dbraw/zinc/85/40/06/996854006.db2.gz ONCALFPNONTRBV-UHFFFAOYSA-N 0 2 400.884 3.887 20 0 HHADLN COc1cc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)ccc1Br ZINC000476413333 996875257 /nfs/dbraw/zinc/87/52/57/996875257.db2.gz UTPKLWNRYHCLOB-UHFFFAOYSA-N 0 2 422.304 3.503 20 0 HHADLN O=S(=O)(Nc1ccc(OCc2ccccn2)c(F)c1)c1cnn(-c2ccccc2)c1 ZINC000476416615 996880042 /nfs/dbraw/zinc/88/00/42/996880042.db2.gz GWRHEIRHDJMQQF-UHFFFAOYSA-N 0 2 424.457 3.786 20 0 HHADLN CCOc1cc(C)ccc1NS(=O)(=O)c1cc(OC)ccc1Br ZINC000476420049 996884534 /nfs/dbraw/zinc/88/45/34/996884534.db2.gz CVOAHEUNTAHCGI-UHFFFAOYSA-N 0 2 400.294 3.966 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)c1c[nH]c2ncccc12 ZINC000476423595 996889699 /nfs/dbraw/zinc/88/96/99/996889699.db2.gz CEXPMLBCSCMPDL-UHFFFAOYSA-N 0 2 415.862 3.945 20 0 HHADLN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000476437140 996908545 /nfs/dbraw/zinc/90/85/45/996908545.db2.gz PTCXJRGGGCAYPG-GFCCVEGCSA-N 0 2 401.444 3.780 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3cccc(Br)c3)o2)cc1 ZINC000476449145 996922660 /nfs/dbraw/zinc/92/26/60/996922660.db2.gz WWBYRRRBWFVTDF-UHFFFAOYSA-N 0 2 424.276 3.699 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc3c(c2)OCO3)o1)c1cccc(Cl)c1Cl ZINC000476452009 996925630 /nfs/dbraw/zinc/92/56/30/996925630.db2.gz LGKCNJVOSFFIIN-UHFFFAOYSA-N 0 2 414.226 3.573 20 0 HHADLN CC1CCC(C)(CNC(=O)C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)CC1 ZINC000484709747 997049190 /nfs/dbraw/zinc/04/91/90/997049190.db2.gz AQUSJYJWWYKFSK-UHFFFAOYSA-N 0 2 404.461 3.636 20 0 HHADLN CCc1nn(C)c(CC)c1CC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000484857981 997221228 /nfs/dbraw/zinc/22/12/28/997221228.db2.gz TYBVHCDIQHRLJC-UHFFFAOYSA-N 0 2 407.305 3.818 20 0 HHADLN CCN(C(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000476687360 997226738 /nfs/dbraw/zinc/22/67/38/997226738.db2.gz GRAJPSAKUBHYCL-SFHVURJKSA-N 0 2 412.484 3.746 20 0 HHADLN Cc1ccc(CC[C@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 ZINC000476688955 997228613 /nfs/dbraw/zinc/22/86/13/997228613.db2.gz PGZMCWVTPRDNQI-ZDUSSCGKSA-N 0 2 419.528 3.596 20 0 HHADLN CCC[C@]1(C)CCCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000476728892 997278938 /nfs/dbraw/zinc/27/89/38/997278938.db2.gz RDUDGTSMEWNWDQ-LJQANCHMSA-N 0 2 407.561 3.986 20 0 HHADLN CCSCC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476730625 997280577 /nfs/dbraw/zinc/28/05/77/997280577.db2.gz LFUSFNOKPUXYMV-ZDUSSCGKSA-N 0 2 413.590 3.548 20 0 HHADLN C[C@H](c1ccco1)N(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC1 ZINC000476742359 997293817 /nfs/dbraw/zinc/29/38/17/997293817.db2.gz GKWOYUBPDGIPCO-CYBMUJFWSA-N 0 2 417.512 3.903 20 0 HHADLN C[C@H](CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1 ZINC000476767898 997324897 /nfs/dbraw/zinc/32/48/97/997324897.db2.gz VJKAJISXXRERJM-OAHLLOKOSA-N 0 2 415.540 3.820 20 0 HHADLN C[C@H](c1cccnc1)N(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485017935 997382890 /nfs/dbraw/zinc/38/28/90/997382890.db2.gz ZLHCFNCFOKSHAN-CYBMUJFWSA-N 0 2 417.516 3.564 20 0 HHADLN COCCOc1cccc(NS(=O)(=O)c2cc(Br)c(F)cc2F)c1 ZINC000485072640 997440375 /nfs/dbraw/zinc/44/03/75/997440375.db2.gz LMJFEOAZNROLTB-UHFFFAOYSA-N 0 2 422.247 3.553 20 0 HHADLN CC[C@H]1CCc2nc(NS(=O)(=O)c3cncc(Br)c3)sc2C1 ZINC000476914682 997523610 /nfs/dbraw/zinc/52/36/10/997523610.db2.gz OAOMVYNLDWFEGY-VIFPVBQESA-N 0 2 402.339 3.616 20 0 HHADLN CCc1nc(NS(=O)(=O)c2cc(Br)c(OC)cc2OC)sc1C ZINC000476916762 997526430 /nfs/dbraw/zinc/52/64/30/997526430.db2.gz SFNQKXUVYZUIDZ-UHFFFAOYSA-N 0 2 421.338 3.594 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(SC)cc2)nc1C(C)(C)C ZINC000476931660 997545542 /nfs/dbraw/zinc/54/55/42/997545542.db2.gz YFOFZHDWQUYXFR-UHFFFAOYSA-N 0 2 400.547 3.750 20 0 HHADLN O=C(Nc1cccc(-n2cc[nH+]c2)c1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000485195578 997572971 /nfs/dbraw/zinc/57/29/71/997572971.db2.gz VUSYVPUYXKLHQG-UHFFFAOYSA-N 0 2 424.507 3.987 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN4CCOC5(CCCC5)C4)nc(=O)c3s2)cc1 ZINC000485244568 997629094 /nfs/dbraw/zinc/62/90/94/997629094.db2.gz MVMJQPCDOXGOFS-UHFFFAOYSA-N 0 2 411.527 3.805 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)c1Cl ZINC000485276781 997672227 /nfs/dbraw/zinc/67/22/27/997672227.db2.gz WCWQSKKWNSLOSA-UHFFFAOYSA-N 0 2 412.298 3.717 20 0 HHADLN C[C@H](c1ccccn1)N(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485356402 997780109 /nfs/dbraw/zinc/78/01/09/997780109.db2.gz KBXODRSNUFSPKC-CYBMUJFWSA-N 0 2 417.516 3.564 20 0 HHADLN C[C@@H]1CCCC[C@@H]1CNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485370125 997795513 /nfs/dbraw/zinc/79/55/13/997795513.db2.gz AOVZXOIJWXOCAR-ZIAGYGMSSA-N 0 2 408.549 3.892 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N[C@H]1C[C@@H]1c1ccccc1 ZINC000485384000 997811514 /nfs/dbraw/zinc/81/15/14/997811514.db2.gz ZBKAABDSPCJAFP-SJORKVTESA-N 0 2 414.512 3.622 20 0 HHADLN O=C(c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1)N1CCCC1 ZINC000485414071 997848239 /nfs/dbraw/zinc/84/82/39/997848239.db2.gz SOMVWKYRDDISGF-UHFFFAOYSA-N 0 2 416.396 3.881 20 0 HHADLN COCCOc1ccc(Br)cc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000477191480 997862507 /nfs/dbraw/zinc/86/25/07/997862507.db2.gz UMFZTYUHLPSWRL-UHFFFAOYSA-N 0 2 422.247 3.553 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c1C1CC1 ZINC000477218370 997891509 /nfs/dbraw/zinc/89/15/09/997891509.db2.gz HZMDWQNNBAWAIJ-LLVKDONJSA-N 0 2 418.441 3.868 20 0 HHADLN COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000485466589 997912703 /nfs/dbraw/zinc/91/27/03/997912703.db2.gz IBGANNHRGBCYTO-UHFFFAOYSA-N 0 2 406.357 3.612 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)c1C ZINC000477341179 998029066 /nfs/dbraw/zinc/02/90/66/998029066.db2.gz WTWVKEOEMLMRTP-UHFFFAOYSA-N 0 2 400.504 3.904 20 0 HHADLN CC(C)n1cc(S(=O)(=O)Nc2cc(Br)ccc2N2CCCC2)cn1 ZINC000477371907 998059277 /nfs/dbraw/zinc/05/92/77/998059277.db2.gz BPTZBGZENFFOGO-UHFFFAOYSA-N 0 2 413.341 3.628 20 0 HHADLN CCOc1cc(CN(C)C(=O)C2=NN(c3ccccc3)CC2=O)ccc1OC(F)F ZINC000485655240 998102776 /nfs/dbraw/zinc/10/27/76/998102776.db2.gz KUIMOVHKOXPHJZ-UHFFFAOYSA-N 0 2 417.412 3.850 20 0 HHADLN CCOc1c(Cl)cc(CNC(=O)C2=NN(c3ccccc3)CC2=O)cc1OC ZINC000485840514 998306192 /nfs/dbraw/zinc/30/61/92/998306192.db2.gz GNGQBAXBWXUENQ-UHFFFAOYSA-N 0 2 401.850 3.569 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)C3CCC3)cc2)c(Cl)c1 ZINC000486111404 998559183 /nfs/dbraw/zinc/55/91/83/998559183.db2.gz VDGHWUQXFLOSRZ-UHFFFAOYSA-N 0 2 407.875 3.910 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2cc(F)ccc2OCC(F)(F)F)c1 ZINC000486506840 998798579 /nfs/dbraw/zinc/79/85/79/998798579.db2.gz VQUQPXQMLLGQPR-UHFFFAOYSA-N 0 2 409.357 3.585 20 0 HHADLN Cc1cc(F)cc(S(=O)(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)c1 ZINC000486533177 998811826 /nfs/dbraw/zinc/81/18/26/998811826.db2.gz SIGKTFVJXVFRTQ-UHFFFAOYSA-N 0 2 401.250 3.822 20 0 HHADLN O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000478201650 998819784 /nfs/dbraw/zinc/81/97/84/998819784.db2.gz AZKQRWVKZXYNIH-JKSUJKDBSA-N 0 2 403.360 3.604 20 0 HHADLN CC1(C)CCc2nc(NS(=O)(=O)c3ccccc3OC(F)(F)F)ncc2C1 ZINC000486558218 998825389 /nfs/dbraw/zinc/82/53/89/998825389.db2.gz FHNSTDKSMXMPLP-UHFFFAOYSA-N 0 2 401.410 3.691 20 0 HHADLN C[C@H](Cc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000486578178 998838011 /nfs/dbraw/zinc/83/80/11/998838011.db2.gz BUOFYVWTSKFAGC-CQSZACIVSA-N 0 2 401.513 3.761 20 0 HHADLN O=C(CC1(C(F)(F)F)CC1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000486580385 998838971 /nfs/dbraw/zinc/83/89/71/998838971.db2.gz IOHYYZRACBORJB-UHFFFAOYSA-N 0 2 405.423 3.615 20 0 HHADLN Cc1ccc(-c2nc(CC(=O)Nc3nc(-c4c(F)cccc4F)n[nH]3)cs2)o1 ZINC000478318183 998884408 /nfs/dbraw/zinc/88/44/08/998884408.db2.gz DWZYFGXTOXPTFW-UHFFFAOYSA-N 0 2 401.398 3.956 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@H]3CCc4cn(C(C)C)nc4C3)=N2)c1 ZINC000478349000 998907192 /nfs/dbraw/zinc/90/71/92/998907192.db2.gz YLVPPABCSCTGQX-SFHVURJKSA-N 0 2 407.518 3.766 20 0 HHADLN Cc1ccc(C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)cc1Cl ZINC000486957394 999018475 /nfs/dbraw/zinc/01/84/75/999018475.db2.gz WQTYFGZAYXAGSH-UHFFFAOYSA-N 0 2 408.892 3.553 20 0 HHADLN COc1cc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)cc1C ZINC000478585548 999035356 /nfs/dbraw/zinc/03/53/56/999035356.db2.gz XXCMZYOLRBNSBU-UHFFFAOYSA-N 0 2 417.512 3.822 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccnc(OCc4ccccc4)c3)s[nH]2)c1 ZINC000478704465 999097539 /nfs/dbraw/zinc/09/75/39/999097539.db2.gz RCXXWWWCQDDATR-UHFFFAOYSA-N 0 2 418.478 3.862 20 0 HHADLN CC[C@@H]1NC(=O)N(c2cccc(NS(=O)(=O)c3ccc(C(C)(C)C)s3)c2)C1=O ZINC000478707543 999098894 /nfs/dbraw/zinc/09/88/94/999098894.db2.gz ZCKHUQYBBBDKHE-AWEZNQCLSA-N 0 2 421.544 3.681 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1Br ZINC000487274480 999120931 /nfs/dbraw/zinc/12/09/31/999120931.db2.gz WCFQXMXCIFUUEP-UHFFFAOYSA-N 0 2 422.304 3.503 20 0 HHADLN C[C@H](C(=O)c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000478770572 999132363 /nfs/dbraw/zinc/13/23/63/999132363.db2.gz KOVCMWZYQXUUDR-LLVKDONJSA-N 0 2 400.374 3.522 20 0 HHADLN NC(=O)N1CCCc2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc21 ZINC000487339760 999140295 /nfs/dbraw/zinc/14/02/95/999140295.db2.gz RYTSKSXJASNNLT-UHFFFAOYSA-N 0 2 406.316 3.687 20 0 HHADLN CO[C@](C)(C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C)C1CC1 ZINC000487465733 999186827 /nfs/dbraw/zinc/18/68/27/999186827.db2.gz CQCVDPXVQOBXEK-FQEVSTJZSA-N 0 2 406.479 3.689 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N[C@H](CO)c1c(Cl)cccc1Cl ZINC000478902550 999202254 /nfs/dbraw/zinc/20/22/54/999202254.db2.gz OULFMXSXQGFYGT-CYBMUJFWSA-N 0 2 409.298 3.789 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000487579054 999217131 /nfs/dbraw/zinc/21/71/31/999217131.db2.gz YPXNFBDEBUAAFI-OALUTQOASA-N 0 2 405.502 3.909 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000487579056 999217169 /nfs/dbraw/zinc/21/71/69/999217169.db2.gz YPXNFBDEBUAAFI-RBUKOAKNSA-N 0 2 405.502 3.909 20 0 HHADLN CCc1nc(NS(=O)(=O)c2cc(Cl)ccc2OCCCOC)sc1C ZINC000479086434 999287077 /nfs/dbraw/zinc/28/70/77/999287077.db2.gz UNAFHZCBSQQIKN-UHFFFAOYSA-N 0 2 404.941 3.883 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1nnc(-c2c(F)cccc2Cl)s1 ZINC000479155608 999300124 /nfs/dbraw/zinc/30/01/24/999300124.db2.gz JGLYAGJTMLDKHA-UHFFFAOYSA-N 0 2 413.883 3.945 20 0 HHADLN CC(C)(C)c1csc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)n1 ZINC000479192673 999319353 /nfs/dbraw/zinc/31/93/53/999319353.db2.gz LOWHCLIDWSDRJN-UHFFFAOYSA-N 0 2 411.524 3.617 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c1C ZINC000479271495 999358077 /nfs/dbraw/zinc/35/80/77/999358077.db2.gz XHFBUFUOIWCFFM-UHFFFAOYSA-N 0 2 411.483 3.646 20 0 HHADLN CC(C)c1nn(C)cc1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000479284465 999365047 /nfs/dbraw/zinc/36/50/47/999365047.db2.gz PBAAJUAIOUTKTD-UHFFFAOYSA-N 0 2 410.696 3.899 20 0 HHADLN Cc1nc2ccccc2n1Cc1cc(NS(=O)(=O)c2cn[nH]c2)ccc1Cl ZINC000479303487 999374991 /nfs/dbraw/zinc/37/49/91/999374991.db2.gz BBIYRZGKKJFEKH-UHFFFAOYSA-N 0 2 401.879 3.570 20 0 HHADLN Cc1ccc2cccc(NS(=O)(=O)c3ccc(C(=O)N4CCCC4)c(F)c3)c2n1 ZINC000479437107 999416355 /nfs/dbraw/zinc/41/63/55/999416355.db2.gz KDUYKNDVZOJKRM-UHFFFAOYSA-N 0 2 413.474 3.719 20 0 HHADLN O=S(=O)(Nc1ccc2c[nH]nc2c1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000488289154 999425022 /nfs/dbraw/zinc/42/50/22/999425022.db2.gz FOZJGKIQXAMIDR-MRXNPFEDSA-N 0 2 421.906 3.965 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)cc2n[nH]cc21 ZINC000488302588 999430795 /nfs/dbraw/zinc/43/07/95/999430795.db2.gz XLYLPBUDZXPZDT-CYBMUJFWSA-N 0 2 421.906 3.741 20 0 HHADLN O=C1CCCc2cc(NS(=O)(=O)c3ccc(Br)cc3F)ccc2N1 ZINC000479483960 999438104 /nfs/dbraw/zinc/43/81/04/999438104.db2.gz ZIOOMUULTNFPPD-UHFFFAOYSA-N 0 2 413.268 3.664 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000479486931 999439399 /nfs/dbraw/zinc/43/93/99/999439399.db2.gz XLAWTXCWMYKXNM-UHFFFAOYSA-N 0 2 406.504 3.798 20 0 HHADLN COc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3c(C)cccc3F)c2)cn1 ZINC000479493382 999443019 /nfs/dbraw/zinc/44/30/19/999443019.db2.gz ZEARMQWZKKQYDI-UHFFFAOYSA-N 0 2 415.446 3.591 20 0 HHADLN Cc1cccc(F)c1S(=O)(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000479495905 999443779 /nfs/dbraw/zinc/44/37/79/999443779.db2.gz IDUNFXCFTYRVEO-UHFFFAOYSA-N 0 2 423.462 3.907 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000479503884 999447916 /nfs/dbraw/zinc/44/79/16/999447916.db2.gz PLNBEOGSFZIFFE-UHFFFAOYSA-N 0 2 418.496 3.818 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)cn1 ZINC000488380513 999466359 /nfs/dbraw/zinc/46/63/59/999466359.db2.gz PSYLGTPJDVPSMS-GFCCVEGCSA-N 0 2 421.910 3.503 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000479543363 999469442 /nfs/dbraw/zinc/46/94/42/999469442.db2.gz ZFFMGIVVUKXHBD-UHFFFAOYSA-N 0 2 401.431 3.960 20 0 HHADLN COCc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1 ZINC000488407644 999478273 /nfs/dbraw/zinc/47/82/73/999478273.db2.gz NLYSWULSFCYDDE-UHFFFAOYSA-N 0 2 409.920 3.730 20 0 HHADLN O=S(=O)(Nc1ncn(-c2ccccc2)n1)c1cc(Cl)ccc1OCCC1CC1 ZINC000488422226 999482538 /nfs/dbraw/zinc/48/25/38/999482538.db2.gz YKXQHUJXBMLDFZ-UHFFFAOYSA-N 0 2 418.906 3.900 20 0 HHADLN CS(=O)(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488438483 999487146 /nfs/dbraw/zinc/48/71/46/999487146.db2.gz GJBAIUXWRJVFTP-UHFFFAOYSA-N 0 2 413.826 3.563 20 0 HHADLN O=c1[nH]nc(SCc2nc3cc(C(F)(F)F)ccc3o2)n1C[C@H]1CCCO1 ZINC000488500558 999509041 /nfs/dbraw/zinc/50/90/41/999509041.db2.gz PFCOXZSQOMFCCG-SNVBAGLBSA-N 0 2 400.382 3.615 20 0 HHADLN CCOc1ccc2nc(NS(=O)(=O)c3c(OC)cc(OC)cc3OC)sc2c1 ZINC000488565808 999529783 /nfs/dbraw/zinc/52/97/83/999529783.db2.gz WLXZDOXZGXKKFU-UHFFFAOYSA-N 0 2 424.500 3.522 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000488566627 999530074 /nfs/dbraw/zinc/53/00/74/999530074.db2.gz ZUYRNALABDEROF-ZDUSSCGKSA-N 0 2 402.451 3.591 20 0 HHADLN O=S(=O)(Nc1cccnc1-n1cccn1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488584885 999535922 /nfs/dbraw/zinc/53/59/22/999535922.db2.gz UWRDIVNGIPOEGQ-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN O=S(=O)(Nc1nc2c(ccc(Cl)c2Cl)s1)c1cnn(CC(F)F)c1 ZINC000488637867 999554007 /nfs/dbraw/zinc/55/40/07/999554007.db2.gz CVGUTKLHERZIAU-UHFFFAOYSA-N 0 2 413.258 3.866 20 0 HHADLN COCCN(Cc1scnc1C)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000488761264 999599554 /nfs/dbraw/zinc/59/95/54/999599554.db2.gz BASQANNXCFDVGU-UHFFFAOYSA-N 0 2 423.951 3.726 20 0 HHADLN CO[C@H]1CCC[C@H](CC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)C1 ZINC000479968401 999668120 /nfs/dbraw/zinc/66/81/20/999668120.db2.gz VHVDFBGPIGVQNI-JQWIXIFHSA-N 0 2 411.275 3.907 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cccc(N3CCC(C)CC3)c2)cnn1-c1ccccn1 ZINC000480003715 999682567 /nfs/dbraw/zinc/68/25/67/999682567.db2.gz JZLJPABOZWCGKR-UHFFFAOYSA-N 0 2 411.531 3.613 20 0 HHADLN CCOC(=O)c1cc(CC)sc1NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000480203824 999744184 /nfs/dbraw/zinc/74/41/84/999744184.db2.gz SDBYFZFMDIUOLK-UHFFFAOYSA-N 0 2 422.528 3.563 20 0 HHADLN COc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000480210084 999746384 /nfs/dbraw/zinc/74/63/84/999746384.db2.gz PRYJMEQMFYBIKB-UHFFFAOYSA-N 0 2 421.689 3.951 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000480210723 999746396 /nfs/dbraw/zinc/74/63/96/999746396.db2.gz RUIPDTPZLYAKNH-UHFFFAOYSA-N 0 2 406.287 3.828 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3CC)c1C(C)C ZINC000480220730 999748620 /nfs/dbraw/zinc/74/86/20/999748620.db2.gz DNFWWXXJODBCOC-UHFFFAOYSA-N 0 2 406.508 3.535 20 0 HHADLN C[C@H](Oc1ccccc1Br)C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000489379526 999754814 /nfs/dbraw/zinc/75/48/14/999754814.db2.gz MMELBYIGIYKKFO-JTQLQIEISA-N 0 2 405.227 3.779 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cnn1-c1cccc(C)c1 ZINC000480244000 999754988 /nfs/dbraw/zinc/75/49/88/999754988.db2.gz GJRMBBQKBFLDMR-UHFFFAOYSA-N 0 2 413.499 3.639 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cnn1C(CC)CC ZINC000480249760 999756181 /nfs/dbraw/zinc/75/61/81/999756181.db2.gz QMZIXMPUNZKBPX-UHFFFAOYSA-N 0 2 404.536 3.734 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cnn(-c3cc(Cl)ccc3OC)c2)c1C ZINC000480254101 999757146 /nfs/dbraw/zinc/75/71/46/999757146.db2.gz WODDXWPBKAXMLL-GFCCVEGCSA-N 0 2 423.926 3.811 20 0 HHADLN O=C(NCc1n[nH]c(=O)[nH]1)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000480492915 999810796 /nfs/dbraw/zinc/81/07/96/999810796.db2.gz IZZGXPBVUKQLLV-HNNXBMFYSA-N 0 2 409.298 3.967 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](CCO)c3ccc(Cl)cc3)s[nH]2)c1 ZINC000480699120 999862442 /nfs/dbraw/zinc/86/24/42/999862442.db2.gz DWSMYHXUFKAUQT-INIZCTEOSA-N 0 2 418.906 3.534 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1cccc(C(F)F)c1 ZINC000490092075 999892123 /nfs/dbraw/zinc/89/21/23/999892123.db2.gz XWBKZJHAAUAGMU-UHFFFAOYSA-N 0 2 410.427 3.529 20 0 HHADLN Cc1ccc(C(C)(C)CNC(=O)NCc2nnc(COc3ccccc3)[nH]2)c(C)c1 ZINC000490255912 999923114 /nfs/dbraw/zinc/92/31/14/999923114.db2.gz UQDFLFUQSXPGNJ-UHFFFAOYSA-N 0 2 407.518 3.778 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1CCCc2sc(Cl)cc21 ZINC000490267529 999925889 /nfs/dbraw/zinc/92/58/89/999925889.db2.gz DYLZZKXGCWEICU-AWEZNQCLSA-N 0 2 417.922 3.975 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cnn1CCC(C)C ZINC000491831512 1000096398 /nfs/dbraw/zinc/09/63/98/1000096398.db2.gz IXERTJRYNDDNQU-OAHLLOKOSA-N 0 2 418.563 3.590 20 0 HHADLN CC(C)COc1ccc(S(=O)(=O)Nc2cc(C(C)C)nn2-c2ncccn2)cc1 ZINC000492066108 1000107825 /nfs/dbraw/zinc/10/78/25/1000107825.db2.gz KAGUCKYSFCAHCG-UHFFFAOYSA-N 0 2 415.519 3.621 20 0 HHADLN COC(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2cc(OC)ccc2Cl)c1 ZINC000492156793 1000112272 /nfs/dbraw/zinc/11/22/72/1000112272.db2.gz JQUGTDLQVXIIIS-UHFFFAOYSA-N 0 2 424.906 3.536 20 0 HHADLN CCCc1csc(NS(=O)(=O)c2cccc(I)c2)n1 ZINC000504514502 1000244449 /nfs/dbraw/zinc/24/44/49/1000244449.db2.gz SYVUYCAUWHDJTI-UHFFFAOYSA-N 0 2 408.286 3.501 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000504673336 1000320120 /nfs/dbraw/zinc/32/01/20/1000320120.db2.gz LVDJIHZVWRTQEZ-MRXNPFEDSA-N 0 2 417.498 3.781 20 0 HHADLN COC(=O)CCSCc1cccc(NS(=O)(=O)c2cccc(F)c2F)c1 ZINC000504973148 1000481177 /nfs/dbraw/zinc/48/11/77/1000481177.db2.gz PKCJGHXVBRDZJW-UHFFFAOYSA-N 0 2 401.456 3.562 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)cc1OCC(F)(F)F)c1c[nH]c2ncccc12 ZINC000505273043 1000661592 /nfs/dbraw/zinc/66/15/92/1000661592.db2.gz JBSGTNHDMIWDHR-UHFFFAOYSA-N 0 2 405.785 3.958 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NCCCOc2ccc(Cl)cc2Cl)cn1 ZINC000494817856 1000675323 /nfs/dbraw/zinc/67/53/23/1000675323.db2.gz ARPKQUUTRZWYHW-UHFFFAOYSA-N 0 2 408.289 3.799 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(C(C)=O)cc1 ZINC000506594642 1001466620 /nfs/dbraw/zinc/46/66/20/1001466620.db2.gz MKTMMJOZEWKDAV-UHFFFAOYSA-N 0 2 402.255 3.783 20 0 HHADLN CC(C)(C)c1cc(CS(=O)(=O)Nc2ccccc2OC[C@H]2CCCCO2)no1 ZINC000506722643 1001505513 /nfs/dbraw/zinc/50/55/13/1001505513.db2.gz YPQRBFPKRACMIF-MRXNPFEDSA-N 0 2 408.520 3.862 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c1 ZINC000506725413 1001506247 /nfs/dbraw/zinc/50/62/47/1001506247.db2.gz HSRBBECBUJGWMF-KRWDZBQOSA-N 0 2 421.515 3.590 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(N(C)C)cc1C ZINC000506832054 1001555158 /nfs/dbraw/zinc/55/51/58/1001555158.db2.gz INOIIRHKAHEDDY-UHFFFAOYSA-N 0 2 417.314 3.955 20 0 HHADLN Cc1c[nH]c(=O)n1-c1ccccc1NS(=O)(=O)c1cc(C)ccc1Br ZINC000498015479 1001605910 /nfs/dbraw/zinc/60/59/10/1001605910.db2.gz LDPNZOMXPZADGV-UHFFFAOYSA-N 0 2 422.304 3.758 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)c1 ZINC000498033360 1001614962 /nfs/dbraw/zinc/61/49/62/1001614962.db2.gz KDIQAXBQKNNXPH-UHFFFAOYSA-N 0 2 417.874 3.735 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1nnc2n1CCCCC2)c1cncc(Cl)c1 ZINC000507005879 1001760182 /nfs/dbraw/zinc/76/01/82/1001760182.db2.gz DJPHAEWZDPYGDS-UHFFFAOYSA-N 0 2 403.895 3.521 20 0 HHADLN CC(C)n1nc(-c2ccccc2)cc1NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000507315711 1001995162 /nfs/dbraw/zinc/99/51/62/1001995162.db2.gz SGZZJFYVTVAIKA-UHFFFAOYSA-N 0 2 424.526 3.824 20 0 HHADLN CCc1c(NS(=O)(=O)CCc2cccc(Cl)c2)nnn1Cc1ccc(F)cc1 ZINC000507566374 1002171118 /nfs/dbraw/zinc/17/11/18/1002171118.db2.gz OACJDDZRCHKYBM-UHFFFAOYSA-N 0 2 422.913 3.666 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1OC1CCOCC1)c1ccc(C(F)(F)F)nc1 ZINC000507582655 1002187871 /nfs/dbraw/zinc/18/78/71/1002187871.db2.gz NGBUZMZDUJSZHR-UHFFFAOYSA-N 0 2 420.384 3.598 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc3nc(C(F)F)sc3c2)c(C)o1 ZINC000507630519 1002233963 /nfs/dbraw/zinc/23/39/63/1002233963.db2.gz QGGJGRMYCHDIAP-UHFFFAOYSA-N 0 2 402.400 3.723 20 0 HHADLN O=S(=O)([N-]c1cccc2c1CN(c1cccc[nH+]1)C2)c1c(F)c(F)cc(F)c1F ZINC000507969772 1002501395 /nfs/dbraw/zinc/50/13/95/1002501395.db2.gz XOGKUYKKGMBHQO-UHFFFAOYSA-N 0 2 423.391 3.959 20 0 HHADLN CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc3nn[nH]c3c2)[C@H]1c1ccc(OC)cc1 ZINC000508020565 1002544632 /nfs/dbraw/zinc/54/46/32/1002544632.db2.gz AALSXZXDSPOUEO-PGRDOPGGSA-N 0 2 421.501 3.685 20 0 HHADLN CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc3nn[nH]c3c2)[C@H]1c1ccc(OC)cc1 ZINC000508020567 1002544941 /nfs/dbraw/zinc/54/49/41/1002544941.db2.gz AALSXZXDSPOUEO-XMSQKQJNSA-N 0 2 421.501 3.685 20 0 HHADLN O=S(=O)(Nc1ncc(-c2cccnc2)s1)c1ccc(F)cc1Br ZINC000508067511 1002588739 /nfs/dbraw/zinc/58/87/39/1002588739.db2.gz JSWQUTBIKCHIKQ-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN O=S(=O)([N-]c1ccc(Cn2cc[nH+]c2)cn1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000508072717 1002594249 /nfs/dbraw/zinc/59/42/49/1002594249.db2.gz HGQZLBWHAQAYAQ-UHFFFAOYSA-N 0 2 416.812 3.799 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc4c(s3)c(Cl)ccc4C)cc21 ZINC000508074326 1002596171 /nfs/dbraw/zinc/59/61/71/1002596171.db2.gz OWQHBVBEWAOXKM-UHFFFAOYSA-N 0 2 421.931 3.968 20 0 HHADLN COC(=O)c1c(C)csc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000508084053 1002605885 /nfs/dbraw/zinc/60/58/85/1002605885.db2.gz MAVHPMKTFYMLQL-UHFFFAOYSA-N 0 2 411.835 3.899 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CSCC3)c(Br)c1 ZINC000508087737 1002610221 /nfs/dbraw/zinc/61/02/21/1002610221.db2.gz XNFLDXAFMYLEDZ-UHFFFAOYSA-N 0 2 405.364 3.804 20 0 HHADLN Cc1sc(Br)cc1S(=O)(=O)Nc1nc2c(s1)CSCC2 ZINC000508092525 1002616359 /nfs/dbraw/zinc/61/63/59/1002616359.db2.gz AGAZBONVTQFLQM-UHFFFAOYSA-N 0 2 411.393 3.866 20 0 HHADLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3nc(C4CCOCC4)cs3)cc(Cl)c2O1 ZINC000508108207 1002633735 /nfs/dbraw/zinc/63/37/35/1002633735.db2.gz AEPZUXCFRWQUBK-SNVBAGLBSA-N 0 2 414.936 3.815 20 0 HHADLN O=C1Nc2ccc(S(=O)(=O)Nc3nc(C4CCOCC4)cs3)c3cccc1c23 ZINC000508109368 1002635799 /nfs/dbraw/zinc/63/57/99/1002635799.db2.gz KEEZGLJKBUOFHA-UHFFFAOYSA-N 0 2 415.496 3.557 20 0 HHADLN CC(C)Sc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O ZINC000499262122 1002664863 /nfs/dbraw/zinc/66/48/63/1002664863.db2.gz AHVOWRTXXLHXCL-UHFFFAOYSA-N 0 2 414.936 3.505 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)c1 ZINC000508182682 1002718004 /nfs/dbraw/zinc/71/80/04/1002718004.db2.gz UNMOPTYNRIVQLK-UHFFFAOYSA-N 0 2 420.487 3.856 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(F)cc1Br ZINC000508194409 1002728731 /nfs/dbraw/zinc/72/87/31/1002728731.db2.gz LBYYUKUCRSNBNR-UHFFFAOYSA-N 0 2 416.203 3.578 20 0 HHADLN CC(C)Cc1nnc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)o1 ZINC000508197128 1002732061 /nfs/dbraw/zinc/73/20/61/1002732061.db2.gz YMNVUMGKMKJCSE-UHFFFAOYSA-N 0 2 412.668 3.624 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c3ncccc23)c1OC(C)C ZINC000499492670 1002880935 /nfs/dbraw/zinc/88/09/35/1002880935.db2.gz OARMWTHIOGUTCM-UHFFFAOYSA-N 0 2 418.446 3.749 20 0 HHADLN Cc1ccc(Cl)cc1N1CCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)CC1 ZINC000499537797 1002922833 /nfs/dbraw/zinc/92/28/33/1002922833.db2.gz FUEYRAJBANXENN-UHFFFAOYSA-N 0 2 414.868 3.641 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NCc3nc4cc(Cl)ccc4s3)=N2)cc1 ZINC000499635695 1003001330 /nfs/dbraw/zinc/00/13/30/1003001330.db2.gz LHGWYKIUUVFZSX-UHFFFAOYSA-N 0 2 414.874 3.780 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(C)Cc3ccc(Br)cc3)=N2)cc1 ZINC000499712153 1003061155 /nfs/dbraw/zinc/06/11/55/1003061155.db2.gz GZWMENCKVGUCFC-UHFFFAOYSA-N 0 2 416.275 3.621 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NC[C@H]3CCCO[C@H]3c3ccc(C)cc3)=N2)cc1 ZINC000499815724 1003150879 /nfs/dbraw/zinc/15/08/79/1003150879.db2.gz LMFZORQQDXXJBS-JPYJTQIMSA-N 0 2 421.497 3.793 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CC[C@@H](CSc4ccccc4)C3)=N2)cc1 ZINC000499861212 1003198207 /nfs/dbraw/zinc/19/82/07/1003198207.db2.gz KZPULLSVOONDAN-MRXNPFEDSA-N 0 2 409.511 3.841 20 0 HHADLN COc1cccc2c1CCN(C(=O)C1=NN(c3cccc(C(C)C)c3)CC1=O)CC2 ZINC000508767755 1003200079 /nfs/dbraw/zinc/20/00/79/1003200079.db2.gz ZYWFDETXFPMCQV-UHFFFAOYSA-N 0 2 405.498 3.951 20 0 HHADLN CC[C@H](NC(=O)C1=NN(c2ccc(OC)cc2)CC1=O)c1nc(-c2ccccc2)c[nH]1 ZINC000499887705 1003223132 /nfs/dbraw/zinc/22/31/32/1003223132.db2.gz NAKURFHALRMKET-SFHVURJKSA-N 0 2 417.469 3.858 20 0 HHADLN CN(C(=O)c1ccc(NS(=O)(=O)c2cccc3c2OCO3)cc1)C1CCCCC1 ZINC000509073691 1003533924 /nfs/dbraw/zinc/53/39/24/1003533924.db2.gz CQZQNJUXSZXKNI-UHFFFAOYSA-N 0 2 416.499 3.621 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3cccc(SC)c3)s2)c1 ZINC000509202759 1003621661 /nfs/dbraw/zinc/62/16/61/1003621661.db2.gz LVAZYANILGWTHX-UHFFFAOYSA-N 0 2 407.542 3.660 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nnc(Cc2ccc(C)cc2)s1 ZINC000509203907 1003622324 /nfs/dbraw/zinc/62/23/24/1003622324.db2.gz TVICVPRNWSFMON-UHFFFAOYSA-N 0 2 403.529 3.864 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nc(-c2ccccc2Cl)ns1 ZINC000509217764 1003631072 /nfs/dbraw/zinc/63/10/72/1003631072.db2.gz LYHYCHXECCPKAR-UHFFFAOYSA-N 0 2 409.920 3.707 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccccc2Cl)ns1)c1cnc2ccccc2c1 ZINC000509220454 1003633523 /nfs/dbraw/zinc/63/35/23/1003633523.db2.gz WXFJWXQQCHDOBW-UHFFFAOYSA-N 0 2 402.888 3.629 20 0 HHADLN O=S(=O)(Nc1nccc(-c2ccco2)n1)c1c(Cl)cccc1Br ZINC000509220368 1003633662 /nfs/dbraw/zinc/63/36/62/1003633662.db2.gz PYRAWNFYLUPUIP-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nc3cc(F)c(Br)cc3s2)cn1 ZINC000509238684 1003645934 /nfs/dbraw/zinc/64/59/34/1003645934.db2.gz IFCLKBMHCWGPLP-UHFFFAOYSA-N 0 2 402.270 3.702 20 0 HHADLN Cc1occc1-c1nnc(NS(=O)(=O)c2c(Cl)cccc2Br)o1 ZINC000509239492 1003646701 /nfs/dbraw/zinc/64/67/01/1003646701.db2.gz KGBLZPYRKSHSBO-UHFFFAOYSA-N 0 2 418.656 3.855 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cccc3c2OCO3)sc1Cc1ccc(F)cc1F ZINC000509241504 1003648555 /nfs/dbraw/zinc/64/85/55/1003648555.db2.gz SHEFYDJPINGHOY-UHFFFAOYSA-N 0 2 424.450 3.850 20 0 HHADLN CO[C@@H]1CCC[C@H](Oc2ccnc(NS(=O)(=O)c3cccc(C)c3Cl)n2)C1 ZINC000500572687 1003791104 /nfs/dbraw/zinc/79/11/04/1003791104.db2.gz QWZWRHFWFBPRTL-KGLIPLIRSA-N 0 2 411.911 3.576 20 0 HHADLN COC(=O)c1c(F)cc(NS(=O)(=O)c2cc(C)ccc2Br)cc1F ZINC000509374912 1003802157 /nfs/dbraw/zinc/80/21/57/1003802157.db2.gz IPCMHOHJTJFFNX-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(-c2cncc(F)c2)ccc1C ZINC000509391968 1003821026 /nfs/dbraw/zinc/82/10/26/1003821026.db2.gz MIKYYPHUPYPHAD-UHFFFAOYSA-N 0 2 418.446 3.939 20 0 HHADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000509393355 1003823564 /nfs/dbraw/zinc/82/35/64/1003823564.db2.gz XTQCBHIFMATVCO-UHFFFAOYSA-N 0 2 408.785 3.650 20 0 HHADLN COC(=O)[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1cccs1 ZINC000509423631 1003850461 /nfs/dbraw/zinc/85/04/61/1003850461.db2.gz ZAODJIAKNXHGGP-LBPRGKRZSA-N 0 2 413.826 3.613 20 0 HHADLN COc1ccc(CN(Cc2ccccc2)C(=O)c2c[nH]c3c(cnn3C)c2=O)cc1 ZINC000511898091 1003874844 /nfs/dbraw/zinc/87/48/44/1003874844.db2.gz WUDWWRJHADBDIK-UHFFFAOYSA-N 0 2 402.454 3.525 20 0 HHADLN COc1ccccc1C1(C(=O)NCc2nnc(COc3ccccc3)[nH]2)CCCCC1 ZINC000500778767 1003951294 /nfs/dbraw/zinc/95/12/94/1003951294.db2.gz MJRLTENVRHACCE-UHFFFAOYSA-N 0 2 420.513 3.911 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)c(Cl)c1 ZINC000509574608 1003955038 /nfs/dbraw/zinc/95/50/38/1003955038.db2.gz SGVCQCZIPSOIAB-UHFFFAOYSA-N 0 2 406.847 3.946 20 0 HHADLN COCCN(C(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O)[C@@H]1CCCSC1 ZINC000509599862 1003972053 /nfs/dbraw/zinc/97/20/53/1003972053.db2.gz CMUKGXWYHIPHLM-GOSISDBHSA-N 0 2 403.548 3.686 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nc2c(ccc(F)c2F)s1 ZINC000500851416 1004002012 /nfs/dbraw/zinc/00/20/12/1004002012.db2.gz HMHSVKPXXXCSHG-UHFFFAOYSA-N 0 2 418.830 3.815 20 0 HHADLN CCN(C(=O)c1c[nH]c2c(cnn2C)c1=O)[C@H](c1ccc(C)cc1)c1cccnc1 ZINC000512079993 1004007528 /nfs/dbraw/zinc/00/75/28/1004007528.db2.gz UDYXQVNHLRDAOS-HXUWFJFHSA-N 0 2 401.470 3.629 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)c2ccc(Cl)cn2)c(F)c1Cl ZINC000509745062 1004066859 /nfs/dbraw/zinc/06/68/59/1004066859.db2.gz IZOOXESRIDMDCD-SSDOTTSWSA-N 0 2 424.256 3.665 20 0 HHADLN Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C1)c2=O ZINC000512170539 1004074363 /nfs/dbraw/zinc/07/43/63/1004074363.db2.gz KXOLIZPZMLDVSO-GFCCVEGCSA-N 0 2 421.284 3.664 20 0 HHADLN O=C(C1=NN(c2ccccc2)CC1=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000501123660 1004220363 /nfs/dbraw/zinc/22/03/63/1004220363.db2.gz BODHNTQEIMHLLL-UHFFFAOYSA-N 0 2 416.403 3.559 20 0 HHADLN CN1c2ccc(S(=O)(=O)Nc3ncc(C(C)(C)C)s3)c3cccc(c23)C1=O ZINC000512343242 1004231210 /nfs/dbraw/zinc/23/12/10/1004231210.db2.gz OLCVTQBVWIOPJM-UHFFFAOYSA-N 0 2 401.513 3.985 20 0 HHADLN CN1c2ccc(S(=O)(=O)Nc3nnc(-c4ccccc4)s3)c3cccc(c23)C1=O ZINC000512345998 1004234253 /nfs/dbraw/zinc/23/42/53/1004234253.db2.gz FAPXTNFQSVLTIJ-UHFFFAOYSA-N 0 2 422.491 3.749 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC2(C(F)(F)F)CCCCC2)cc1Cl ZINC000510219792 1004403780 /nfs/dbraw/zinc/40/37/80/1004403780.db2.gz INOYOPDDVUNKBT-UHFFFAOYSA-N 0 2 416.824 3.981 20 0 HHADLN CCCCOc1c(Cl)cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc1OCC ZINC000510283238 1004449353 /nfs/dbraw/zinc/44/93/53/1004449353.db2.gz SUZIKYBYSIFZTK-ZDUSSCGKSA-N 0 2 422.913 3.761 20 0 HHADLN O=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510298865 1004461331 /nfs/dbraw/zinc/46/13/31/1004461331.db2.gz QNGQAGJWKHNWTJ-AWEZNQCLSA-N 0 2 421.482 3.914 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1nc2ccccc2s1 ZINC000501496899 1004466788 /nfs/dbraw/zinc/46/67/88/1004466788.db2.gz RHJSVBZPBUFPNN-UHFFFAOYSA-N 0 2 416.509 3.806 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CC[C@H](n3ncc4ccccc43)C2)=N1 ZINC000512959135 1004728659 /nfs/dbraw/zinc/72/86/59/1004728659.db2.gz URRUHRLXUWWUGY-SFHVURJKSA-N 0 2 401.470 3.577 20 0 HHADLN Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000511134073 1005037622 /nfs/dbraw/zinc/03/76/22/1005037622.db2.gz HCEDZDXECLWIHV-QGZVFWFLSA-N 0 2 424.526 3.539 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1 ZINC000502410358 1005063907 /nfs/dbraw/zinc/06/39/07/1005063907.db2.gz MWICJRCHJNHCAL-UHFFFAOYSA-N 0 2 421.368 3.831 20 0 HHADLN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2ccc3cccc(Cl)c3n2)c1 ZINC000502475811 1005086994 /nfs/dbraw/zinc/08/69/94/1005086994.db2.gz WXNILXZUWJUTBA-UHFFFAOYSA-N 0 2 424.931 3.709 20 0 HHADLN CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Oc2c(C)cccc2C)cn1C ZINC000511268246 1005099529 /nfs/dbraw/zinc/09/95/29/1005099529.db2.gz CFQLQGKFVWBKFX-UHFFFAOYSA-N 0 2 413.499 3.595 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CC[C@H](C(F)(F)F)C4(CCC4)C3)=N2)cc1 ZINC000514178652 1005300006 /nfs/dbraw/zinc/30/00/06/1005300006.db2.gz AGRIVURKXVQTBJ-INIZCTEOSA-N 0 2 409.408 3.781 20 0 HHADLN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000511768640 1005316210 /nfs/dbraw/zinc/31/62/10/1005316210.db2.gz FOFWQVFCRUOMRA-KXBFYZLASA-N 0 2 420.538 3.565 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000504019826 1005533861 /nfs/dbraw/zinc/53/38/61/1005533861.db2.gz HJROIBCNYPBDQH-UHFFFAOYSA-N 0 2 409.794 3.739 20 0 HHADLN COc1cc(Cl)c(S(=O)(=O)Nc2cccc3c2OCCC3=O)cc1Cl ZINC000504043262 1005539461 /nfs/dbraw/zinc/53/94/61/1005539461.db2.gz PVKGXPCDXICMSL-UHFFFAOYSA-N 0 2 402.255 3.768 20 0 HHADLN CCCN(C(=O)C1=NN(c2ccccc2)CC1=O)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000504212432 1005574153 /nfs/dbraw/zinc/57/41/53/1005574153.db2.gz MTTRJWOOIWXUPS-KRWDZBQOSA-N 0 2 406.486 3.847 20 0 HHADLN Cc1ccc2cccc(S(=O)(=O)Nc3cccc(Cl)c3N3CCOCC3)c2n1 ZINC000531248762 1006069247 /nfs/dbraw/zinc/06/92/47/1006069247.db2.gz ULZXUTPHWNYLOG-UHFFFAOYSA-N 0 2 417.918 3.834 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cccc(COc2cccc(F)c2)c1 ZINC000514876050 1006177509 /nfs/dbraw/zinc/17/75/09/1006177509.db2.gz DSCURNFWJXQBJZ-UHFFFAOYSA-N 0 2 406.442 3.992 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCN(C(=O)C4CCCCC4)CC3)=N2)c1 ZINC000531465179 1006214443 /nfs/dbraw/zinc/21/44/43/1006214443.db2.gz URLUTABNFANQKE-UHFFFAOYSA-N 0 2 424.545 3.566 20 0 HHADLN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)C1 ZINC000531468788 1006216752 /nfs/dbraw/zinc/21/67/52/1006216752.db2.gz GQISXIJAEMKTGG-QADWPORPSA-N 0 2 403.548 3.511 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cnc2ccsc2c1 ZINC000531491516 1006229526 /nfs/dbraw/zinc/22/95/26/1006229526.db2.gz JMZWMAKWMQTDAZ-UHFFFAOYSA-N 0 2 416.509 3.806 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc3ccccc3c2)o1)c1cnn(-c2ccccc2)c1 ZINC000515034410 1006262378 /nfs/dbraw/zinc/26/23/78/1006262378.db2.gz RBFIAPGBTGMSJO-UHFFFAOYSA-N 0 2 417.450 3.876 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)c(N(C)C)c1 ZINC000515163003 1006321445 /nfs/dbraw/zinc/32/14/45/1006321445.db2.gz ZOBOYDGSRKTMBA-UHFFFAOYSA-N 0 2 403.287 3.647 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccnc2)ns1)c1ccc2oc3ccccc3c2c1 ZINC000534402719 1006378282 /nfs/dbraw/zinc/37/82/82/1006378282.db2.gz WTUVNJWQBDVAGD-UHFFFAOYSA-N 0 2 408.464 3.722 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(N(C)c2ccccc2)nc1 ZINC000515298442 1006384353 /nfs/dbraw/zinc/38/43/53/1006384353.db2.gz DFHHOYFEHWIYMY-UHFFFAOYSA-N 0 2 405.483 3.832 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc2cc(Br)ccc2o1 ZINC000534437584 1006414149 /nfs/dbraw/zinc/41/41/49/1006414149.db2.gz HHMSYVLUWVAMHA-UHFFFAOYSA-N 0 2 401.245 3.783 20 0 HHADLN COc1cc(OC)c(NS(=O)(=O)c2ccc(C)cc2Br)cc1F ZINC000531780410 1006420637 /nfs/dbraw/zinc/42/06/37/1006420637.db2.gz CKXADICATKDWDV-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2O[C@@H](C)C(F)(F)F)cc1F ZINC000515399989 1006439501 /nfs/dbraw/zinc/43/95/01/1006439501.db2.gz YKYMTVLYWWAMHN-JTQLQIEISA-N 0 2 421.368 3.743 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1nc2ccccc2nc1N1CCCCC1 ZINC000515445732 1006469217 /nfs/dbraw/zinc/46/92/17/1006469217.db2.gz VQDAGSGNJMVDDJ-UHFFFAOYSA-N 0 2 406.515 3.967 20 0 HHADLN Cc1cc(CSc2ncccc2C(=O)N=c2nc(-c3ccccc3)[nH]s2)no1 ZINC000515704928 1006601718 /nfs/dbraw/zinc/60/17/18/1006601718.db2.gz DNEUQIBIJIKFIJ-UHFFFAOYSA-N 0 2 409.496 3.863 20 0 HHADLN Cn1c2ccc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)cc2nc1C1CC1 ZINC000534792457 1006795701 /nfs/dbraw/zinc/79/57/01/1006795701.db2.gz AKLRPNRJZQQUPA-UHFFFAOYSA-N 0 2 411.462 3.576 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2nnc(CCc3ccccc3)o2)c1 ZINC000515977978 1006804267 /nfs/dbraw/zinc/80/42/67/1006804267.db2.gz FYODOHRGUQBCDM-UHFFFAOYSA-N 0 2 422.304 3.727 20 0 HHADLN COC(=O)c1csc(NS(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000532364716 1006822580 /nfs/dbraw/zinc/82/25/80/1006822580.db2.gz IJFLYRYOUMLKTE-UHFFFAOYSA-N 0 2 410.698 3.751 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(C)n(-c4cccc(F)c4)n3)s[nH]2)c1 ZINC000538654113 1006926101 /nfs/dbraw/zinc/92/61/01/1006926101.db2.gz CQBKKOWDSDEWOS-UHFFFAOYSA-N 0 2 409.446 3.521 20 0 HHADLN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)Nc2cncc3ccccc32)s1 ZINC000538754416 1007040410 /nfs/dbraw/zinc/04/04/10/1007040410.db2.gz NYZRZIVBPYFNJG-UHFFFAOYSA-N 0 2 417.556 3.802 20 0 HHADLN CN1CC[C@H](NC(=O)c2cccc(Br)c2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000535023723 1007069046 /nfs/dbraw/zinc/06/90/46/1007069046.db2.gz QWUFEOOWLIUPSE-HOTGVXAUSA-N 0 2 411.246 3.608 20 0 HHADLN CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c1 ZINC000516558425 1007156264 /nfs/dbraw/zinc/15/62/64/1007156264.db2.gz XWZGGTPNJGJCGY-UHFFFAOYSA-N 0 2 424.526 3.642 20 0 HHADLN COc1cc(Nc2nc(-c3cc(Cl)cc(Cl)c3)no2)cc(S(C)(=O)=O)c1 ZINC000516596720 1007178072 /nfs/dbraw/zinc/17/80/72/1007178072.db2.gz GFLVXNPIWMFILD-UHFFFAOYSA-N 0 2 414.270 3.621 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)=N1 ZINC000538925200 1007209560 /nfs/dbraw/zinc/20/95/60/1007209560.db2.gz NDVOWUDMURHEJO-OAHLLOKOSA-N 0 2 423.366 3.508 20 0 HHADLN COc1ccc(-n2nc(C(=O)Nc3nc(-c4c(F)cccc4F)n[nH]3)cc2C)cc1 ZINC000538931303 1007216018 /nfs/dbraw/zinc/21/60/18/1007216018.db2.gz IVZPETSWUSYMMZ-UHFFFAOYSA-N 0 2 410.384 3.505 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(Oc3cc(C)ccn3)c2)c(C)o1 ZINC000532846047 1007231443 /nfs/dbraw/zinc/23/14/43/1007231443.db2.gz UUZBEDYCSCJWIJ-UHFFFAOYSA-N 0 2 416.455 3.980 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cc(C)c(F)cc2F)nc1C(C)C ZINC000535234134 1007288443 /nfs/dbraw/zinc/28/84/43/1007288443.db2.gz PLQFMJQLFVDKDM-UHFFFAOYSA-N 0 2 404.460 3.831 20 0 HHADLN Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c1C(=O)Nc1n[nH]c(C(F)(F)F)n1 ZINC000535314835 1007366093 /nfs/dbraw/zinc/36/60/93/1007366093.db2.gz YHAPBYSINSNCQR-UHFFFAOYSA-N 0 2 404.274 3.793 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cncc3ccccc32)c(Br)c1 ZINC000535386834 1007452124 /nfs/dbraw/zinc/45/21/24/1007452124.db2.gz LTPKQVPQZAYRPI-UHFFFAOYSA-N 0 2 421.272 3.585 20 0 HHADLN COc1cccc(-c2cc(NS(=O)(=O)c3ccc(Br)cc3)n(C)n2)c1 ZINC000535654104 1007667267 /nfs/dbraw/zinc/66/72/67/1007667267.db2.gz FSIFKFJWJYZAML-UHFFFAOYSA-N 0 2 422.304 3.659 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)s2)cc1 ZINC000535654394 1007667342 /nfs/dbraw/zinc/66/73/42/1007667342.db2.gz FEHAEHADMDJUBG-UHFFFAOYSA-N 0 2 417.512 3.728 20 0 HHADLN O=C(CSCC(F)(F)F)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000535656462 1007670731 /nfs/dbraw/zinc/67/07/31/1007670731.db2.gz WJBLGRQKZZKMHC-UHFFFAOYSA-N 0 2 413.194 3.607 20 0 HHADLN CCC(=O)N1CC[C@H](C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)C1 ZINC000533443126 1007758766 /nfs/dbraw/zinc/75/87/66/1007758766.db2.gz GVGRYCNZNSGFAX-INIZCTEOSA-N 0 2 422.510 3.616 20 0 HHADLN CC(C)Cn1ncc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1C(C)C ZINC000535744530 1007769058 /nfs/dbraw/zinc/76/90/58/1007769058.db2.gz AJRASMHWJYLTHW-UHFFFAOYSA-N 0 2 404.536 3.693 20 0 HHADLN COC(=O)CCSc1cccc(NS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000535892081 1007912115 /nfs/dbraw/zinc/91/21/15/1007912115.db2.gz KAXOSVUNORYSLE-UHFFFAOYSA-N 0 2 403.884 3.935 20 0 HHADLN CCCS(=O)(=O)Nc1nc(-c2ccc(I)cc2)cs1 ZINC000539598490 1007918765 /nfs/dbraw/zinc/91/87/65/1007918765.db2.gz OEYUDPVOCAZEHE-UHFFFAOYSA-N 0 2 408.286 3.566 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c(C)o1 ZINC000533624333 1007927019 /nfs/dbraw/zinc/92/70/19/1007927019.db2.gz YTGZIKPZPNMPDO-UHFFFAOYSA-N 0 2 420.487 3.694 20 0 HHADLN COc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1-c1ccccn1 ZINC000533640777 1007947768 /nfs/dbraw/zinc/94/77/68/1007947768.db2.gz IGZCYTBNUQCNSU-UHFFFAOYSA-N 0 2 406.467 3.740 20 0 HHADLN Cc1c(C(=O)N=c2nc(C(C)(C)C)[nH]s2)cnn1-c1cccc(Br)c1 ZINC000517977896 1008083380 /nfs/dbraw/zinc/08/33/80/1008083380.db2.gz MCGTUAWXFSPFAO-UHFFFAOYSA-N 0 2 420.336 3.766 20 0 HHADLN COc1ccc(CN2C[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3O)CC2=O)cc1 ZINC000536094979 1008117375 /nfs/dbraw/zinc/11/73/75/1008117375.db2.gz KWIKHPJAEFYROR-LBPRGKRZSA-N 0 2 409.269 3.695 20 0 HHADLN O=C(CCCn1c(=O)oc2ccccc21)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000533812627 1008129420 /nfs/dbraw/zinc/12/94/20/1008129420.db2.gz KINFSFLEWIYZOM-UHFFFAOYSA-N 0 2 414.874 3.607 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2SCC(F)F)cn1 ZINC000539855198 1008143345 /nfs/dbraw/zinc/14/33/45/1008143345.db2.gz GDQFSSPFRKDOLI-UHFFFAOYSA-N 0 2 422.862 3.680 20 0 HHADLN O=C(CN(Cc1ccccc1)c1ccccc1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000533857455 1008161752 /nfs/dbraw/zinc/16/17/52/1008161752.db2.gz CFSAQABLUOFFLT-UHFFFAOYSA-N 0 2 401.495 3.667 20 0 HHADLN O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000539920130 1008185369 /nfs/dbraw/zinc/18/53/69/1008185369.db2.gz BPRHRKDNOOZOLS-UHFFFAOYSA-N 0 2 412.877 3.763 20 0 HHADLN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000539957196 1008205483 /nfs/dbraw/zinc/20/54/83/1008205483.db2.gz DPXPEZGRLJVCNZ-VIFPVBQESA-N 0 2 406.262 3.887 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000518280826 1008237363 /nfs/dbraw/zinc/23/73/63/1008237363.db2.gz PXWVPYNMQSHLMU-UHFFFAOYSA-N 0 2 411.487 3.754 20 0 HHADLN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)C1 ZINC000518357903 1008275597 /nfs/dbraw/zinc/27/55/97/1008275597.db2.gz LDGIOIJIRZMRKO-LBPRGKRZSA-N 0 2 408.549 3.664 20 0 HHADLN CC(C)(C)c1noc(CCCC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)n1 ZINC000518367904 1008277992 /nfs/dbraw/zinc/27/79/92/1008277992.db2.gz BWOVQGVXROTVQW-UHFFFAOYSA-N 0 2 405.911 3.922 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(C)c(C)s2)ccc1NC(=O)c1cccnc1 ZINC000540217309 1008340004 /nfs/dbraw/zinc/34/00/04/1008340004.db2.gz MAQUMPIHOBKDIQ-UHFFFAOYSA-N 0 2 417.512 3.822 20 0 HHADLN C[C@@H](Cc1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000519035057 1008507061 /nfs/dbraw/zinc/50/70/61/1008507061.db2.gz ODAXHAJSHQLFJS-ZDUSSCGKSA-N 0 2 419.503 3.900 20 0 HHADLN O=C(Nc1cccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c1)c1ccccc1 ZINC000519059109 1008513706 /nfs/dbraw/zinc/51/37/06/1008513706.db2.gz HRYBNPSOSVHTFY-UHFFFAOYSA-N 0 2 418.478 3.925 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c(C)c1F ZINC000543032585 1008615772 /nfs/dbraw/zinc/61/57/72/1008615772.db2.gz SFVNIJUFZSSLQX-UHFFFAOYSA-N 0 2 411.455 3.525 20 0 HHADLN CC[C@@]1(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)OCCc2ccccc21 ZINC000519568323 1008912704 /nfs/dbraw/zinc/91/27/04/1008912704.db2.gz NOUBFJHLKZXZAM-IBGZPJMESA-N 0 2 400.529 3.688 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1nc2ccccc2cc1Br ZINC000519673394 1008958045 /nfs/dbraw/zinc/95/80/45/1008958045.db2.gz ZISRDCIXXCXLNG-UHFFFAOYSA-N 0 2 412.272 3.585 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2ccc(OC)c3cccnc23)c1 ZINC000546020399 1009052063 /nfs/dbraw/zinc/05/20/63/1009052063.db2.gz NCTZCUWYGVKXGJ-UHFFFAOYSA-N 0 2 423.288 3.815 20 0 HHADLN O=S(=O)(Nc1ccc(Sc2nncs2)cc1)c1cnn(-c2ccccc2)c1 ZINC000519994284 1009144698 /nfs/dbraw/zinc/14/46/98/1009144698.db2.gz GKHXPHTVEMRMQE-UHFFFAOYSA-N 0 2 415.525 3.676 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCO[C@H](CCc4ccccc4)C3)s[nH]2)c1 ZINC000543617242 1009222852 /nfs/dbraw/zinc/22/28/52/1009222852.db2.gz UJNBVPPIMHMJSB-LJQANCHMSA-N 0 2 424.526 3.501 20 0 HHADLN COc1cccc(CCNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c1OC ZINC000543656156 1009261667 /nfs/dbraw/zinc/26/16/67/1009261667.db2.gz FDTAOABHHNZENW-UHFFFAOYSA-N 0 2 418.906 3.662 20 0 HHADLN CC(=O)Nc1ccc(CCNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1 ZINC000543656014 1009261704 /nfs/dbraw/zinc/26/17/04/1009261704.db2.gz KBGLHTAHLDLZHR-UHFFFAOYSA-N 0 2 415.906 3.603 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000520107962 1009264994 /nfs/dbraw/zinc/26/49/94/1009264994.db2.gz BDLWUBYBPCWRSQ-UHFFFAOYSA-N 0 2 422.466 3.625 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1cccc2c1OCCCO2 ZINC000543658490 1009266336 /nfs/dbraw/zinc/26/63/36/1009266336.db2.gz SEUPZVAOEWREBP-UHFFFAOYSA-N 0 2 416.890 3.763 20 0 HHADLN COc1ccc(CCNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1OC ZINC000543658857 1009266561 /nfs/dbraw/zinc/26/65/61/1009266561.db2.gz WLFFUQMGRCOYQM-UHFFFAOYSA-N 0 2 418.906 3.662 20 0 HHADLN COc1cc(C(=O)N2CCC[C@@H](C3N=NC(=O)O3)C2)cc(Cl)c1OCCC(C)C ZINC000549732225 1009355849 /nfs/dbraw/zinc/35/58/49/1009355849.db2.gz GUIKRJVBHZSLAW-CYBMUJFWSA-N 0 2 423.897 3.882 20 0 HHADLN C[C@@H]1CC[C@]2(CCN(C(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2)C1 ZINC000543832338 1009393522 /nfs/dbraw/zinc/39/35/22/1009393522.db2.gz JBYHLLCAKUMGAF-KUHUBIRLSA-N 0 2 405.545 3.596 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ncc(C4CCCCC4)s3)cc21 ZINC000543860331 1009427033 /nfs/dbraw/zinc/42/70/33/1009427033.db2.gz VTJPOUDTOBUKQO-UHFFFAOYSA-N 0 2 405.545 3.901 20 0 HHADLN Cc1ccc2c(n1)[nH]cc(C(=O)N1CCO[C@H](c3ccc(C(F)(F)F)cc3)C1)c2=O ZINC000543948124 1009542701 /nfs/dbraw/zinc/54/27/01/1009542701.db2.gz MCCMYBRTPJAWBF-KRWDZBQOSA-N 0 2 417.387 3.876 20 0 HHADLN CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)Cc3ccccc3C)n2)s1 ZINC000546564611 1009587797 /nfs/dbraw/zinc/58/77/97/1009587797.db2.gz WLQSWLZVNVISJW-UHFFFAOYSA-N 0 2 421.569 3.758 20 0 HHADLN O=S(=O)(Nc1nc(CN2CCCCC2)cs1)c1ccc(OCC(F)F)cc1 ZINC000544079214 1009685226 /nfs/dbraw/zinc/68/52/26/1009685226.db2.gz VVXBCRLXSBPYAQ-UHFFFAOYSA-N 0 2 417.503 3.574 20 0 HHADLN COc1cc(Br)cc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)c1 ZINC000544096725 1009706626 /nfs/dbraw/zinc/70/66/26/1009706626.db2.gz PMXWYZXLAYJYGQ-UHFFFAOYSA-N 0 2 416.341 3.728 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)c1C ZINC000544098350 1009708285 /nfs/dbraw/zinc/70/82/85/1009708285.db2.gz KFGABZFGINTJNG-UHFFFAOYSA-N 0 2 401.492 3.556 20 0 HHADLN CSc1c(F)cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1F ZINC000544099373 1009709593 /nfs/dbraw/zinc/70/95/93/1009709593.db2.gz VJIZPFRXIDNFMC-UHFFFAOYSA-N 0 2 402.419 3.511 20 0 HHADLN Cc1cc(C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)nn1-c1cc(C)cc(C)c1 ZINC000550122928 1009714772 /nfs/dbraw/zinc/71/47/72/1009714772.db2.gz LMTVHRLLANXHRT-UHFFFAOYSA-N 0 2 402.458 3.849 20 0 HHADLN CC(C)(C)c1cc([N-]S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)n(C(C)(C)C)n1 ZINC000546853359 1009814948 /nfs/dbraw/zinc/81/49/48/1009814948.db2.gz QKGWMHGAFQPRKW-UHFFFAOYSA-N 0 2 415.563 3.981 20 0 HHADLN COc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3O)CC(=O)N2C)cc1 ZINC000546860481 1009823580 /nfs/dbraw/zinc/82/35/80/1009823580.db2.gz VSEKQWYCWYKHOY-SUMWQHHRSA-N 0 2 409.269 3.866 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2cc(Br)cc(OC)c2)c1C ZINC000546886378 1009846598 /nfs/dbraw/zinc/84/65/98/1009846598.db2.gz PWCURPMPPAJWAI-UHFFFAOYSA-N 0 2 402.314 3.564 20 0 HHADLN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000544408804 1010027138 /nfs/dbraw/zinc/02/71/38/1010027138.db2.gz UKOUFANEQZNCBH-UHFFFAOYSA-N 0 2 419.466 3.525 20 0 HHADLN Cc1nc(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)c[nH]1 ZINC000521073110 1010089727 /nfs/dbraw/zinc/08/97/27/1010089727.db2.gz HEGJHUOPFRVDBX-UHFFFAOYSA-N 0 2 408.842 3.564 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCCc2ccc(C)nc2)cc1 ZINC000521132386 1010157558 /nfs/dbraw/zinc/15/75/58/1010157558.db2.gz VMPYWYPJNYWMGA-UHFFFAOYSA-N 0 2 415.540 3.533 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000547247593 1010194419 /nfs/dbraw/zinc/19/44/19/1010194419.db2.gz GFKGXRBLKZHNID-UHFFFAOYSA-N 0 2 418.446 3.839 20 0 HHADLN CCC(CC)[C@H]1C[C@H](NC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)CCO1 ZINC000544591846 1010218315 /nfs/dbraw/zinc/21/83/15/1010218315.db2.gz GBHSHNSVNPZHHI-NVXWUHKLSA-N 0 2 404.536 3.741 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](c3ccccc3)[C@H]3CCOC3)s[nH]2)c1 ZINC000544594501 1010220772 /nfs/dbraw/zinc/22/07/72/1010220772.db2.gz NNQVMLWPRIFMFK-WMZOPIPTSA-N 0 2 410.499 3.535 20 0 HHADLN O=S(=O)(Nc1cncnc1-c1ccccc1)c1ccc(Br)c(F)c1 ZINC000544615794 1010241093 /nfs/dbraw/zinc/24/10/93/1010241093.db2.gz RLEUYIQQNQPDIV-UHFFFAOYSA-N 0 2 408.252 3.846 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000544635318 1010259394 /nfs/dbraw/zinc/25/93/94/1010259394.db2.gz KQCFCQDPAZCQRD-AWEZNQCLSA-N 0 2 413.934 3.928 20 0 HHADLN C[C@@H](O)C[C@@H](CNC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccccc1 ZINC000544637268 1010261367 /nfs/dbraw/zinc/26/13/67/1010261367.db2.gz BYGVNZJFIOELKM-HIFRSBDPSA-N 0 2 416.934 3.957 20 0 HHADLN CC(=O)Nc1ccc(CCNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc1 ZINC000544638728 1010263057 /nfs/dbraw/zinc/26/30/57/1010263057.db2.gz LPAKWTYZSJVIOI-UHFFFAOYSA-N 0 2 415.906 3.603 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cncnc2-c2ccccc2)ccc1Br ZINC000544673517 1010290378 /nfs/dbraw/zinc/29/03/78/1010290378.db2.gz UTLITOMZHKMNCF-UHFFFAOYSA-N 0 2 420.288 3.716 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc(C(C)C)cs2)c1OC ZINC000551021138 1010322554 /nfs/dbraw/zinc/32/25/54/1010322554.db2.gz WNPJHZUVTXNREC-UHFFFAOYSA-N 0 2 404.897 3.516 20 0 HHADLN C[C@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)Sc1ccc(Br)cc1 ZINC000544720987 1010328999 /nfs/dbraw/zinc/32/89/99/1010328999.db2.gz GWTYUQOUEIPZMX-BDAKNGLRSA-N 0 2 406.289 3.800 20 0 HHADLN CC(C)Oc1ccc(NS(=O)(=O)c2cnn(CC(F)F)c2)c(C(F)(F)F)c1 ZINC000547630652 1010372174 /nfs/dbraw/zinc/37/21/74/1010372174.db2.gz XSCILUVMXZYNCS-UHFFFAOYSA-N 0 2 413.368 3.755 20 0 HHADLN O=S(=O)(Nc1cnc(CC2CC2)nc1)c1cc(Cl)c(Br)cc1F ZINC000551117310 1010380574 /nfs/dbraw/zinc/38/05/74/1010380574.db2.gz YFTDQIZNLSCITF-UHFFFAOYSA-N 0 2 420.691 3.785 20 0 HHADLN CCOc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2O)ccc1OCC(=O)OC ZINC000544813266 1010407188 /nfs/dbraw/zinc/40/71/88/1010407188.db2.gz NWYDXKALLYMJTC-UHFFFAOYSA-N 0 2 414.241 3.902 20 0 HHADLN CCSCc1noc(-c2ccc(F)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)n1 ZINC000544920905 1010493886 /nfs/dbraw/zinc/49/38/86/1010493886.db2.gz MYYBCPUJYSJMHP-UHFFFAOYSA-N 0 2 423.491 3.938 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2O)c2ccccc2n1C ZINC000551467638 1010603755 /nfs/dbraw/zinc/60/37/55/1010603755.db2.gz JRUOTOHOAYIOIK-UHFFFAOYSA-N 0 2 400.378 3.892 20 0 HHADLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000551473084 1010608724 /nfs/dbraw/zinc/60/87/24/1010608724.db2.gz HDWRAMIZQUXGOO-UHFFFAOYSA-N 0 2 423.796 3.869 20 0 HHADLN COC(=O)c1ccc(-c2csc(NS(=O)(=O)Cc3cccc(C)c3)n2)cc1 ZINC000545148840 1010649043 /nfs/dbraw/zinc/64/90/43/1010649043.db2.gz VNOLXJNVFSSZOL-UHFFFAOYSA-N 0 2 402.497 3.847 20 0 HHADLN Cc1ccccc1CS(=O)(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000545149480 1010649274 /nfs/dbraw/zinc/64/92/74/1010649274.db2.gz AONMESUSWYNKEG-UHFFFAOYSA-N 0 2 402.497 3.832 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2C)c(OC(F)F)c1 ZINC000521961976 1010739326 /nfs/dbraw/zinc/73/93/26/1010739326.db2.gz DMTUKTLQPUGMKN-UHFFFAOYSA-N 0 2 405.806 3.837 20 0 HHADLN COC(=O)c1csc(NS(=O)(=O)c2ccc(Cl)cc2Br)c1 ZINC000548838426 1010741997 /nfs/dbraw/zinc/74/19/97/1010741997.db2.gz TZRDELKTCDNWJS-UHFFFAOYSA-N 0 2 410.698 3.751 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[n-]s1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000522564702 1011082355 /nfs/dbraw/zinc/08/23/55/1011082355.db2.gz GXCMHLCENGLTQF-AWEZNQCLSA-N 0 2 402.520 3.678 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[n-]s1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000522564702 1011082376 /nfs/dbraw/zinc/08/23/76/1011082376.db2.gz GXCMHLCENGLTQF-AWEZNQCLSA-N 0 2 402.520 3.678 20 0 HHADLN OC(Nc1nc(-c2ccccc2)ns1)=C1COc2ccc(Br)cc21 ZINC000536244887 1011399684 /nfs/dbraw/zinc/39/96/84/1011399684.db2.gz SBEIAONWYWUAID-ZDUSSCGKSA-N 0 2 402.273 3.504 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(-c2ccccc2)cnc1C ZINC000536304210 1011495757 /nfs/dbraw/zinc/49/57/57/1011495757.db2.gz RXPTWQZKOGPFCQ-UHFFFAOYSA-N 0 2 400.431 3.784 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)[C@H]1COc2ccc(Br)cc21 ZINC000536308838 1011501238 /nfs/dbraw/zinc/50/12/38/1011501238.db2.gz RNCBQYPIGBVIQQ-JTQLQIEISA-N 0 2 421.201 3.627 20 0 HHADLN CCn1nnnc1-c1cccc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1 ZINC000523124280 1011590718 /nfs/dbraw/zinc/59/07/18/1011590718.db2.gz DFXSOWRAHLHVLA-UHFFFAOYSA-N 0 2 412.302 3.776 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)=N1 ZINC000536448027 1011665464 /nfs/dbraw/zinc/66/54/64/1011665464.db2.gz MSQFXLSWEFYKDK-AWEZNQCLSA-N 0 2 421.432 3.609 20 0 HHADLN COc1cccc(-c2cc(NS(=O)(=O)c3ccc(C(=O)C(C)C)cc3)n(C)n2)c1 ZINC000536460327 1011679851 /nfs/dbraw/zinc/67/98/51/1011679851.db2.gz QUWQUWYUJYNORO-UHFFFAOYSA-N 0 2 413.499 3.735 20 0 HHADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1cnc2c(c1)CCCC2 ZINC000541071374 1011711278 /nfs/dbraw/zinc/71/12/78/1011711278.db2.gz YGOUAIXTAWAQBG-UHFFFAOYSA-N 0 2 411.321 3.841 20 0 HHADLN CCOc1cc2c(cc1NS(=O)(=O)c1ccccc1-c1ccno1)O[C@@H](C)C2 ZINC000541078705 1011719736 /nfs/dbraw/zinc/71/97/36/1011719736.db2.gz WAJGMQXUPGTGPQ-ZDUSSCGKSA-N 0 2 400.456 3.865 20 0 HHADLN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2cncc3ccccc32)c1 ZINC000536586866 1011750268 /nfs/dbraw/zinc/75/02/68/1011750268.db2.gz NQAIBXIKYKUUCQ-UHFFFAOYSA-N 0 2 406.305 3.864 20 0 HHADLN O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cccc(Br)c1O ZINC000536692482 1011858670 /nfs/dbraw/zinc/85/86/70/1011858670.db2.gz GVKLWVFQAUXDEX-UHFFFAOYSA-N 0 2 411.683 3.897 20 0 HHADLN O=C(Nc1nc(C(F)(F)F)cs1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000551768406 1011926609 /nfs/dbraw/zinc/92/66/09/1011926609.db2.gz UPQQSYZMMPLGKO-UHFFFAOYSA-N 0 2 400.165 3.752 20 0 HHADLN Cc1ccc(Cc2nnc(NS(=O)(=O)c3ccc4c(c3)CCCO4)s2)cc1 ZINC000536767991 1011969527 /nfs/dbraw/zinc/96/95/27/1011969527.db2.gz PXPCONWTVLUUCQ-UHFFFAOYSA-N 0 2 401.513 3.563 20 0 HHADLN COC(=O)Cc1ccc(S(=O)(=O)Nc2nc3c(s2)c(Cl)ccc3C)cc1 ZINC000551952028 1012031744 /nfs/dbraw/zinc/03/17/44/1012031744.db2.gz JAGMSJFFJMWLST-UHFFFAOYSA-N 0 2 410.904 3.774 20 0 HHADLN O=C(c1oc2ccccc2c1COc1ccccc1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000552015529 1012049970 /nfs/dbraw/zinc/04/99/70/1012049970.db2.gz YNHWAAIBWWQWOQ-UHFFFAOYSA-N 0 2 418.453 3.855 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000523534638 1012065479 /nfs/dbraw/zinc/06/54/79/1012065479.db2.gz FTQVPGWSXZLBJA-UHFFFAOYSA-N 0 2 407.488 3.943 20 0 HHADLN CCC[C@@H](C)N1Cc2cccc(NS(=O)(=O)c3ccc(C(=O)OC)cc3)c2C1 ZINC000541588945 1012379700 /nfs/dbraw/zinc/37/97/00/1012379700.db2.gz PKZBZHSBXHTZEQ-OAHLLOKOSA-N 0 2 402.516 3.778 20 0 HHADLN CCC[C@@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)OC)cc3)c2C1 ZINC000541588945 1012379727 /nfs/dbraw/zinc/37/97/27/1012379727.db2.gz PKZBZHSBXHTZEQ-OAHLLOKOSA-N 0 2 402.516 3.778 20 0 HHADLN CCC[C@@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)OC)cc3)c2C1 ZINC000541588945 1012379734 /nfs/dbraw/zinc/37/97/34/1012379734.db2.gz PKZBZHSBXHTZEQ-OAHLLOKOSA-N 0 2 402.516 3.778 20 0 HHADLN CCCc1cc(NC(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)n(C)n1 ZINC000552497621 1012519504 /nfs/dbraw/zinc/51/95/04/1012519504.db2.gz CDTFDEUZGRXEIE-UHFFFAOYSA-N 0 2 418.544 3.796 20 0 HHADLN COc1cc(CN(C)C(=O)N=c2nc(C(C)(C)C)[nH]s2)ccc1OC(F)F ZINC000523930561 1012659857 /nfs/dbraw/zinc/65/98/57/1012659857.db2.gz QNUIBVOPUITDIF-UHFFFAOYSA-N 0 2 400.451 3.531 20 0 HHADLN CC[C@@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1c(C)nn(C)c1C ZINC000541795849 1012671112 /nfs/dbraw/zinc/67/11/12/1012671112.db2.gz LNGLPONWUXLMND-CQSZACIVSA-N 0 2 404.927 3.904 20 0 HHADLN COc1cc(NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)ccc1NC(C)=O ZINC000541796440 1012672129 /nfs/dbraw/zinc/67/21/29/1012672129.db2.gz IQVMNOSWGUFIOG-UHFFFAOYSA-N 0 2 417.878 3.891 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000541796353 1012672321 /nfs/dbraw/zinc/67/23/21/1012672321.db2.gz HOEBJQPKYUDRJC-NWANDNLSSA-N 0 2 404.923 3.750 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCCc1nc2c(s1)CCCC2 ZINC000541797679 1012673800 /nfs/dbraw/zinc/67/38/00/1012673800.db2.gz YCMGEWDJNFHVIB-UHFFFAOYSA-N 0 2 419.963 3.980 20 0 HHADLN Cc1nc2ccccc2n1CCNC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000541798034 1012675136 /nfs/dbraw/zinc/67/51/36/1012675136.db2.gz XSBBMRREPSVKNU-UHFFFAOYSA-N 0 2 412.906 3.760 20 0 HHADLN O=S(=O)(Nc1ncc(C2CCCCC2)s1)c1ccccc1Cn1cncn1 ZINC000541834575 1012721633 /nfs/dbraw/zinc/72/16/33/1012721633.db2.gz MMNNNGIMQCCPJW-UHFFFAOYSA-N 0 2 403.533 3.631 20 0 HHADLN Cn1nc(C2CCCC2)cc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000541935648 1012796977 /nfs/dbraw/zinc/79/69/77/1012796977.db2.gz FILAHZDCEVHUPK-UHFFFAOYSA-N 0 2 402.289 3.780 20 0 HHADLN O=S(=O)(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc(Cl)cc1F ZINC000524050556 1012803716 /nfs/dbraw/zinc/80/37/16/1012803716.db2.gz YVYMCOQPKTZZKC-UHFFFAOYSA-N 0 2 400.840 3.661 20 0 HHADLN CCOC(=O)c1sc2ncc(S(=O)(=O)Nc3c(C)cccc3O)cc2c1C ZINC000537395207 1012877752 /nfs/dbraw/zinc/87/77/52/1012877752.db2.gz SDCPJPZPOPRVHY-UHFFFAOYSA-N 0 2 406.485 3.596 20 0 HHADLN COC(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2ccccc2-c2ccno2)c1 ZINC000542007961 1012890576 /nfs/dbraw/zinc/89/05/76/1012890576.db2.gz AWGNIZKDVMUVLJ-UHFFFAOYSA-N 0 2 416.455 3.716 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3cccnc3Oc3ccccc3)cc2C[C@@H]1C ZINC000614843318 1071760286 /nfs/dbraw/zinc/76/02/86/1071760286.db2.gz BBWKCDJNSCXGBX-HNNXBMFYSA-N 0 2 423.494 3.972 20 0 HHADLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 ZINC000614855849 1071775846 /nfs/dbraw/zinc/77/58/46/1071775846.db2.gz IDEQTRRANPVLHB-UHFFFAOYSA-N 0 2 424.954 3.885 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000564128680 1071868096 /nfs/dbraw/zinc/86/80/96/1071868096.db2.gz MNMMQDXWEIWFPD-UHFFFAOYSA-N 0 2 420.531 3.846 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]c1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000564128680 1071868114 /nfs/dbraw/zinc/86/81/14/1071868114.db2.gz MNMMQDXWEIWFPD-UHFFFAOYSA-N 0 2 420.531 3.846 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)CSCC2)c1c(F)cccc1OC(F)(F)F ZINC000572319277 1072087055 /nfs/dbraw/zinc/08/70/55/1072087055.db2.gz NXZBSRBPKJZYAO-UHFFFAOYSA-N 0 2 414.427 3.771 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(OC)c1 ZINC000488233419 1072143188 /nfs/dbraw/zinc/14/31/88/1072143188.db2.gz LHMCVHSMTMHPKO-UHFFFAOYSA-N 0 2 409.357 3.671 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2cccnc2Oc2ccccc2)c1 ZINC000586484084 1072224696 /nfs/dbraw/zinc/22/46/96/1072224696.db2.gz WJYCEVLHUAEYOZ-UHFFFAOYSA-N 0 2 412.467 3.780 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)[nH]nc1C1CC1 ZINC000760324198 1072244494 /nfs/dbraw/zinc/24/44/94/1072244494.db2.gz XSBHXFROMARZQK-UHFFFAOYSA-N 0 2 414.462 3.788 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)c3ccccc3)ccc2F)cc1 ZINC000912803587 1072286085 /nfs/dbraw/zinc/28/60/85/1072286085.db2.gz KGESFSFMHHZDLH-UHFFFAOYSA-N 0 2 414.458 3.912 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N[C@H](C)c3ccc(OC(F)F)cc3)cc2[nH]c1=S ZINC000913015738 1072317900 /nfs/dbraw/zinc/31/79/00/1072317900.db2.gz ADXQJARCQIUJDO-LLVKDONJSA-N 0 2 419.453 3.798 20 0 HHADLN COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2N2CCOC2=O)cc1Cl ZINC000729836102 1072406940 /nfs/dbraw/zinc/40/69/40/1072406940.db2.gz MSNGIXAUITXVNG-UHFFFAOYSA-N 0 2 417.270 3.759 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2Cl)c1OC(C)C ZINC000571456338 1072624781 /nfs/dbraw/zinc/62/47/81/1072624781.db2.gz JVGGTMTZLHYYTR-UHFFFAOYSA-N 0 2 413.879 3.723 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)NCCc1ccc(F)cc1 ZINC000571478825 1072632893 /nfs/dbraw/zinc/63/28/93/1072632893.db2.gz LLIOOWIGYGWKRV-NRFANRHFSA-N 0 2 424.520 3.791 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(OC)cc2F)nc1C1CCCC1 ZINC000479130514 1072739760 /nfs/dbraw/zinc/73/97/60/1072739760.db2.gz NHCJQWSTOBTGGV-UHFFFAOYSA-N 0 2 414.480 3.536 20 0 HHADLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2cc(Br)ccc2F)n1 ZINC000479132613 1072743281 /nfs/dbraw/zinc/74/32/81/1072743281.db2.gz PENMWFQUBWABLL-UHFFFAOYSA-N 0 2 400.273 3.619 20 0 HHADLN O=S(=O)(Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2)c1ccc2c(c1)OCO2 ZINC000479136438 1072746725 /nfs/dbraw/zinc/74/67/25/1072746725.db2.gz VPMMZDTYPDBXQE-UHFFFAOYSA-N 0 2 417.874 3.544 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CCC3)c1C ZINC000479114651 1072751521 /nfs/dbraw/zinc/75/15/21/1072751521.db2.gz KZHIKPNIFLQAIG-UHFFFAOYSA-N 0 2 419.938 3.648 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3cc4cc(C)ccc4o3)o2)c(F)c1 ZINC000479115943 1072751918 /nfs/dbraw/zinc/75/19/18/1072751918.db2.gz NSCJQDHSODECOF-UHFFFAOYSA-N 0 2 403.391 3.740 20 0 HHADLN CCC[C@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)OC)c2C1 ZINC000479142635 1072764724 /nfs/dbraw/zinc/76/47/24/1072764724.db2.gz RDKFPRLKADEIDJ-ZDUSSCGKSA-N 0 2 420.531 3.988 20 0 HHADLN CCC[C@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)OC)c2C1 ZINC000479142635 1072764732 /nfs/dbraw/zinc/76/47/32/1072764732.db2.gz RDKFPRLKADEIDJ-ZDUSSCGKSA-N 0 2 420.531 3.988 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)c(F)c1 ZINC000479138809 1072778578 /nfs/dbraw/zinc/77/85/78/1072778578.db2.gz ZBYYHFOAVKZHGZ-UHFFFAOYSA-N 0 2 407.492 3.813 20 0 HHADLN COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1F ZINC000571798823 1072855748 /nfs/dbraw/zinc/85/57/48/1072855748.db2.gz YAAZOBYOFYIGRF-UHFFFAOYSA-N 0 2 405.451 3.778 20 0 HHADLN CC[N@H+]1Cc2c(C(=O)[O-])c3ccccc3nc2/C(=C\c2ccccc2-n2cncn2)C1 ZINC000588349164 1073031757 /nfs/dbraw/zinc/03/17/57/1073031757.db2.gz AKWLXLJHMPLYFR-BOPFTXTBSA-N 0 2 411.465 3.890 20 0 HHADLN CC[N@@H+]1Cc2c(C(=O)[O-])c3ccccc3nc2/C(=C\c2ccccc2-n2cncn2)C1 ZINC000588349164 1073031770 /nfs/dbraw/zinc/03/17/70/1073031770.db2.gz AKWLXLJHMPLYFR-BOPFTXTBSA-N 0 2 411.465 3.890 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccc(C)c(OCC(F)F)c2)cc1OC ZINC000588631573 1073070877 /nfs/dbraw/zinc/07/08/77/1073070877.db2.gz FPAKRNWLCQNUCL-UHFFFAOYSA-N 0 2 405.394 3.596 20 0 HHADLN CCOC(=O)c1cc(NS(=O)(=O)c2cccnc2C(F)(F)F)ccc1Cl ZINC000588841779 1073301660 /nfs/dbraw/zinc/30/16/60/1073301660.db2.gz HCYLTRPKNQNUIU-UHFFFAOYSA-N 0 2 408.785 3.731 20 0 HHADLN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cccc(Cl)c1OCC(F)F ZINC000588856140 1073309066 /nfs/dbraw/zinc/30/90/66/1073309066.db2.gz XJHWGDNLQFKTEG-UHFFFAOYSA-N 0 2 423.796 3.710 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NC1(C(F)F)CCCC1 ZINC000588906050 1073320367 /nfs/dbraw/zinc/32/03/67/1073320367.db2.gz GILULQLOLJZNEN-UHFFFAOYSA-N 0 2 402.246 3.636 20 0 HHADLN CC(C)Cc1nnc(N(C)Cc2nc(=O)c3sccc3[nH]2)n1Cc1cccs1 ZINC000555438331 1073472658 /nfs/dbraw/zinc/47/26/58/1073472658.db2.gz KJPWMSBFKDITIS-UHFFFAOYSA-N 0 2 414.560 3.933 20 0 HHADLN O=C(c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000555557356 1073624527 /nfs/dbraw/zinc/62/45/27/1073624527.db2.gz VFKQFXNMRSNIKA-SNVBAGLBSA-N 0 2 424.313 3.960 20 0 HHADLN O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000555557757 1073625144 /nfs/dbraw/zinc/62/51/44/1073625144.db2.gz BIIWRYNCOQQYJS-RBSFLKMASA-N 0 2 409.515 3.576 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000555599281 1073666196 /nfs/dbraw/zinc/66/61/96/1073666196.db2.gz BKKSPBHCHRPHFM-UHFFFAOYSA-N 0 2 417.256 3.621 20 0 HHADLN CCOc1ccc(OC(C)(C)C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)cc1 ZINC000590553509 1073890469 /nfs/dbraw/zinc/89/04/69/1073890469.db2.gz RDEGXMCCQPSLNW-UHFFFAOYSA-N 0 2 413.499 3.830 20 0 HHADLN O=S(=O)(Nc1ccc2c(c1)OCCCO2)c1cc(Br)c(F)cc1F ZINC000590694986 1073981134 /nfs/dbraw/zinc/98/11/34/1073981134.db2.gz BVAKBESLLCHMOJ-UHFFFAOYSA-N 0 2 420.231 3.689 20 0 HHADLN Cc1ccc(Cn2nccc2NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1 ZINC000555952173 1074000144 /nfs/dbraw/zinc/00/01/44/1074000144.db2.gz LKDKOBWLWGUNRW-UHFFFAOYSA-N 0 2 418.478 3.760 20 0 HHADLN O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000590949189 1074048913 /nfs/dbraw/zinc/04/89/13/1074048913.db2.gz DWHOZRIUDYCVSP-XZOQPEGZSA-N 0 2 415.493 3.882 20 0 HHADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3cccc(Br)c3)o2)s1 ZINC000556036658 1074048989 /nfs/dbraw/zinc/04/89/89/1074048989.db2.gz AFVBRKJZBLZIID-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN Cc1ccc2c(n1)[nH]cc(C(=O)N1CCC(c3nc(-c4ccccc4)no3)CC1)c2=O ZINC000590965492 1074053889 /nfs/dbraw/zinc/05/38/89/1074053889.db2.gz SGDYWHNQIBWRSQ-UHFFFAOYSA-N 0 2 415.453 3.714 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3-n3cccc3)c(F)cc2N1 ZINC000591045991 1074090870 /nfs/dbraw/zinc/09/08/70/1074090870.db2.gz YIBOSZRXKHSXKR-UHFFFAOYSA-N 0 2 419.865 3.955 20 0 HHADLN CC(C)CCOc1ccc(S(=O)(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1 ZINC000615183437 1074097394 /nfs/dbraw/zinc/09/73/94/1074097394.db2.gz GIXQQOYVSBMBLS-UHFFFAOYSA-N 0 2 421.544 3.643 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)c(F)c1 ZINC000591679123 1074468907 /nfs/dbraw/zinc/46/89/07/1074468907.db2.gz IKGVORGTBOBFEU-UHFFFAOYSA-N 0 2 400.479 3.920 20 0 HHADLN O=S(=O)(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cc(F)ccc1Cl ZINC000591682681 1074486182 /nfs/dbraw/zinc/48/61/82/1074486182.db2.gz AFNGRGLDCOOTEP-UHFFFAOYSA-N 0 2 416.755 3.954 20 0 HHADLN CCOc1ccc(OC)cc1NS(=O)(=O)c1ccc(F)cc1Br ZINC000591682492 1074486712 /nfs/dbraw/zinc/48/67/12/1074486712.db2.gz AXQGGEGLCJLSDZ-UHFFFAOYSA-N 0 2 404.257 3.796 20 0 HHADLN C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000591797493 1074547210 /nfs/dbraw/zinc/54/72/10/1074547210.db2.gz ZHRDLNUFQWLEOS-LBPRGKRZSA-N 0 2 412.433 3.919 20 0 HHADLN CCCc1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)cc(C(N)=O)c2OC)c1 ZINC000573630746 1074595014 /nfs/dbraw/zinc/59/50/14/1074595014.db2.gz WNOMWYCMWYMYOE-UHFFFAOYSA-N 0 2 417.314 3.854 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000594801265 1075366109 /nfs/dbraw/zinc/36/61/09/1075366109.db2.gz QAMGCZOSXJDXMG-UHFFFAOYSA-N 0 2 416.469 3.847 20 0 HHADLN CC1CCN(Cc2csc(NS(=O)(=O)c3ccc(F)c(Cl)c3)n2)CC1 ZINC000594873568 1075366952 /nfs/dbraw/zinc/36/69/52/1075366952.db2.gz WQSXJJBQLYTAHR-UHFFFAOYSA-N 0 2 403.932 3.968 20 0 HHADLN O=S(=O)(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1cnn(-c2ccccc2)c1 ZINC000595131168 1075406271 /nfs/dbraw/zinc/40/62/71/1075406271.db2.gz ZTXQTTGVDREVFK-UHFFFAOYSA-N 0 2 419.510 3.873 20 0 HHADLN Fc1ccc(-c2cn3nc(NCc4nnc(COc5ccccc5)[nH]4)sc3n2)cc1 ZINC000302289797 971222281 /nfs/dbraw/zinc/22/22/81/971222281.db2.gz WNSWGSOVMWPDDK-UHFFFAOYSA-N 0 2 421.461 3.906 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N[C@H]3CCSc4c(F)cccc43)cc2[nH]c1=S ZINC000302857495 971357563 /nfs/dbraw/zinc/35/75/63/971357563.db2.gz OBLKRAYZUIAORI-HNNXBMFYSA-N 0 2 415.515 3.811 20 0 HHADLN Cn1c(=O)c2ccc(C(=O)O[C@H](c3cccc(F)c3)c3ccccn3)cc2[nH]c1=S ZINC000303136837 971522446 /nfs/dbraw/zinc/52/24/46/971522446.db2.gz AKPYBPCOTTXHEW-LJQANCHMSA-N 0 2 421.453 3.703 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccccc4Cl)nc3c2)cn1 ZINC000524292615 1013099760 /nfs/dbraw/zinc/09/97/60/1013099760.db2.gz BHNNYNFUYUHVDR-UHFFFAOYSA-N 0 2 401.879 3.901 20 0 HHADLN O=S(=O)(Nc1ncc(Cc2cccc(Cl)c2)s1)c1cccc2c1OCCO2 ZINC000524298827 1013110664 /nfs/dbraw/zinc/11/06/64/1013110664.db2.gz ZGGKENVJAZMWKK-UHFFFAOYSA-N 0 2 422.915 3.959 20 0 HHADLN Cc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)nn1-c1ccc(Cl)cc1 ZINC000537574199 1013114245 /nfs/dbraw/zinc/11/42/45/1013114245.db2.gz XLFAUQZMZWGWAU-UHFFFAOYSA-N 0 2 413.890 3.817 20 0 HHADLN COc1ccc(Br)cc1S(=O)(=O)Nc1cc(C)ccc1NC(C)=O ZINC000524318399 1013135624 /nfs/dbraw/zinc/13/56/24/1013135624.db2.gz JIWLXMAFYPFDMR-UHFFFAOYSA-N 0 2 413.293 3.525 20 0 HHADLN CC(C)[N@@H+]1CCc2nc([N-]S(=O)(=O)c3csc(-c4ccccc4)n3)sc2C1 ZINC000542217422 1013166281 /nfs/dbraw/zinc/16/62/81/1013166281.db2.gz IXOOOGPJQKLEEU-UHFFFAOYSA-N 0 2 420.585 3.834 20 0 HHADLN CC(C)[N@H+]1CCc2nc([N-]S(=O)(=O)c3csc(-c4ccccc4)n3)sc2C1 ZINC000542217422 1013166286 /nfs/dbraw/zinc/16/62/86/1013166286.db2.gz IXOOOGPJQKLEEU-UHFFFAOYSA-N 0 2 420.585 3.834 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cccc(OCc2ccccn2)c1 ZINC000542218323 1013167176 /nfs/dbraw/zinc/16/71/76/1013167176.db2.gz IFISHZATRIVNQY-UHFFFAOYSA-N 0 2 414.531 3.931 20 0 HHADLN Cc1cc(NS(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)nn1[C@@H](C)C1CC1 ZINC000542230947 1013185096 /nfs/dbraw/zinc/18/50/96/1013185096.db2.gz ISSJJDKPBBBBLD-ZDUSSCGKSA-N 0 2 404.467 3.899 20 0 HHADLN CCOCCCNC(=O)c1cccc(NC(=O)c2cccc(Br)c2O)c1 ZINC000537640253 1013197805 /nfs/dbraw/zinc/19/78/05/1013197805.db2.gz MUIKIKPWLBKEKM-UHFFFAOYSA-N 0 2 421.291 3.563 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)NC2CCCCCC2)c1 ZINC000007230252 961078849 /nfs/dbraw/zinc/07/88/49/961078849.db2.gz KTYCPPHXVUINHC-UHFFFAOYSA-N 0 2 418.515 3.654 20 0 HHADLN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000537728239 1013289260 /nfs/dbraw/zinc/28/92/60/1013289260.db2.gz DAFMBGKHVBKKHL-KRWDZBQOSA-N 0 2 406.269 3.866 20 0 HHADLN CCCn1c2ccccc2nc1NC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000010652876 961874363 /nfs/dbraw/zinc/87/43/63/961874363.db2.gz SFQANRIWZDAGBQ-UHFFFAOYSA-N 0 2 407.499 3.717 20 0 HHADLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=S)Nc1ccc(C(C)=O)cc1 ZINC000010840456 961924278 /nfs/dbraw/zinc/92/42/78/961924278.db2.gz SSGSHQDAXIYDGW-UHFFFAOYSA-N 0 2 400.529 3.796 20 0 HHADLN C[C@H](NC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O)c1ccccc1 ZINC000014049166 962410697 /nfs/dbraw/zinc/41/06/97/962410697.db2.gz UHPRRWLAQSPFMN-AWEZNQCLSA-N 0 2 405.479 3.818 20 0 HHADLN O=S(=O)(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(F)c(F)c1F ZINC000016098591 962943561 /nfs/dbraw/zinc/94/35/61/962943561.db2.gz UZHKXGNFIWJKHI-UHFFFAOYSA-N 0 2 422.432 3.890 20 0 HHADLN C[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC12CCC2 ZINC000537824764 1013388134 /nfs/dbraw/zinc/38/81/34/1013388134.db2.gz QWXHOCFHMMXOOX-AWEZNQCLSA-N 0 2 405.545 3.596 20 0 HHADLN C[C@H]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)C1 ZINC000016642076 963080203 /nfs/dbraw/zinc/08/02/03/963080203.db2.gz BEBGXQQNVCWRJK-INIZCTEOSA-N 0 2 407.539 3.800 20 0 HHADLN COc1ccc(Cl)cc1-c1cc(NS(=O)(=O)c2ccc3c(c2)CCCO3)n[nH]1 ZINC000537837487 1013398867 /nfs/dbraw/zinc/39/88/67/1013398867.db2.gz UXAIMNLGOYLTJJ-UHFFFAOYSA-N 0 2 419.890 3.865 20 0 HHADLN CC(=O)c1ccc(-c2ccc(C(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)o2)cc1 ZINC000022185154 963603936 /nfs/dbraw/zinc/60/39/36/963603936.db2.gz VPKMKSNLGDQLMO-UHFFFAOYSA-N 0 2 407.451 3.719 20 0 HHADLN CCCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)n(C)n1 ZINC000537875143 1013451227 /nfs/dbraw/zinc/45/12/27/1013451227.db2.gz OPWHZIUPMKSCCB-UHFFFAOYSA-N 0 2 416.478 3.565 20 0 HHADLN CCCc1cc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)n(C)n1 ZINC000537876232 1013453160 /nfs/dbraw/zinc/45/31/60/1013453160.db2.gz DAWNPSGAOGANAM-UHFFFAOYSA-N 0 2 423.432 3.590 20 0 HHADLN N#C[C@H](C(=O)Cn1nc(-c2ccccc2)ccc1=O)c1nc2ccccc2n1C(F)F ZINC000051656543 964653117 /nfs/dbraw/zinc/65/31/17/964653117.db2.gz WJHCKGDKRPGKSL-OAHLLOKOSA-N 0 2 419.391 3.532 20 0 HHADLN O=C(NNC(=S)Nc1ccc2c(c1)CCC2)c1ccc(COc2ccccc2)o1 ZINC000053516159 965202187 /nfs/dbraw/zinc/20/21/87/965202187.db2.gz KCKGHLYSRGELJN-UHFFFAOYSA-N 0 2 407.495 3.979 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N(C)[C@H](C)c3ccc(OC)cc3)cc2[nH]c1=S ZINC000029098141 965264197 /nfs/dbraw/zinc/26/41/97/965264197.db2.gz BOEPYZGNJYIQLP-CQSZACIVSA-N 0 2 409.511 3.713 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)nc3)c(F)cc2N1 ZINC000057119081 965288708 /nfs/dbraw/zinc/28/87/08/965288708.db2.gz HPYIICCTIVVPHU-UHFFFAOYSA-N 0 2 413.430 3.699 20 0 HHADLN CCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1Cl ZINC000057121161 965292323 /nfs/dbraw/zinc/29/23/23/965292323.db2.gz HYQPWEHQMMUQEQ-UHFFFAOYSA-N 0 2 406.813 3.698 20 0 HHADLN O=C(Cc1nc(=O)c2sc(-c3ccc4c(c3)OCO4)cc2[nH]1)OC1CCCCC1 ZINC000053854546 965294494 /nfs/dbraw/zinc/29/44/94/965294494.db2.gz JTVDZFNLPDVLHR-UHFFFAOYSA-N 0 2 412.467 3.799 20 0 HHADLN O=C(Cc1nc(=O)c2sc(-c3ccc4c(c3)OCO4)cc2[nH]1)Nc1ccccc1 ZINC000053854720 965295630 /nfs/dbraw/zinc/29/56/30/965295630.db2.gz HAZFOCZJYYZOLV-UHFFFAOYSA-N 0 2 405.435 3.562 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N[C@H](C)c3cc(F)ccc3OC)cc2[nH]c1=S ZINC000054010504 965352791 /nfs/dbraw/zinc/35/27/91/965352791.db2.gz ANEMBJGPTZVZTF-GFCCVEGCSA-N 0 2 413.474 3.510 20 0 HHADLN O=C1Nc2cc(Br)ccc2C1=NNc1ncnc2c3ccccc3oc21 ZINC000054292863 965463186 /nfs/dbraw/zinc/46/31/86/965463186.db2.gz MODWQVNHVGUQOG-UHFFFAOYSA-N 0 2 408.215 3.907 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1 ZINC000057690846 965524011 /nfs/dbraw/zinc/52/40/11/965524011.db2.gz FWEDTLOZAHAVMX-UHFFFAOYSA-N 0 2 412.439 3.906 20 0 HHADLN COc1ccc(-c2nc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)sc2C)cc1 ZINC000057721072 965531685 /nfs/dbraw/zinc/53/16/85/965531685.db2.gz BZNAAUIEWCFSAF-UHFFFAOYSA-N 0 2 419.484 3.566 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccccc1COc1ccccc1 ZINC000030032107 965605230 /nfs/dbraw/zinc/60/52/30/965605230.db2.gz KLVVVUWYACLZCZ-UHFFFAOYSA-N 0 2 405.479 3.836 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cc(Br)cnc2-n2cccn2)sc1C ZINC000538012920 1013585501 /nfs/dbraw/zinc/58/55/01/1013585501.db2.gz YHWXCKFUDOBLTF-UHFFFAOYSA-N 0 2 413.322 3.509 20 0 HHADLN CCCCCCOc1ccc(C(=O)NNC(=O)c2cc(-c3cccnc3)on2)cc1 ZINC000058193710 965652388 /nfs/dbraw/zinc/65/23/88/965652388.db2.gz KEQAUKLEJUQBNM-UHFFFAOYSA-N 0 2 408.458 3.771 20 0 HHADLN CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000058495147 965754932 /nfs/dbraw/zinc/75/49/32/965754932.db2.gz JUJJWFIPKGKZLT-UHFFFAOYSA-N 0 2 408.785 3.998 20 0 HHADLN C[C@H]1CCCN(C2=NC(=O)C(CC(=O)Nc3ccccc3Br)S2)C1 ZINC000055117692 965761353 /nfs/dbraw/zinc/76/13/53/965761353.db2.gz NLRLAGYLUYEQKW-SMDDNHRTSA-N 0 2 410.337 3.508 20 0 HHADLN C[C@H]1CCCN(C2=NC(=O)C(CC(=O)Nc3ccc(Br)cc3)S2)C1 ZINC000055117767 965761827 /nfs/dbraw/zinc/76/18/27/965761827.db2.gz RFVXSMVDSBIYCV-FZMZJTMJSA-N 0 2 410.337 3.508 20 0 HHADLN C[C@@H]1CCCN(C2=NC(=O)C(CC(=O)Nc3ccccc3Br)S2)C1 ZINC000055117689 965761917 /nfs/dbraw/zinc/76/19/17/965761917.db2.gz NLRLAGYLUYEQKW-RISCZKNCSA-N 0 2 410.337 3.508 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H]3CCOC4(CCCCC4)C3)s[nH]2)c1 ZINC000542688435 1013608080 /nfs/dbraw/zinc/60/80/80/1013608080.db2.gz HGWRRFBDCYFHQA-OAHLLOKOSA-N 0 2 402.520 3.639 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cnc2ccccc2c1C(F)(F)F ZINC000030998521 965854587 /nfs/dbraw/zinc/85/45/87/965854587.db2.gz VAVINUDMBKTROZ-UHFFFAOYSA-N 0 2 418.400 3.824 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCc3ccc(OC(C)(C)C)nc3)s[nH]2)c1 ZINC000542685351 1013605831 /nfs/dbraw/zinc/60/58/31/1013605831.db2.gz GEIKWUQPRPACOX-UHFFFAOYSA-N 0 2 413.503 3.530 20 0 HHADLN CCOCc1ccccc1CNC(=O)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000058756273 965879493 /nfs/dbraw/zinc/87/94/93/965879493.db2.gz RVIANCPDPJAQCE-UHFFFAOYSA-N 0 2 423.469 3.539 20 0 HHADLN COc1ccccc1-c1nc(C(=O)NNC(=O)CSc2ccc(C)cc2)cs1 ZINC000058782140 965896313 /nfs/dbraw/zinc/89/63/13/965896313.db2.gz VQXRUIDAWPHJCT-UHFFFAOYSA-N 0 2 413.524 3.680 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H]3CCOc4c(Cl)cccc43)s[nH]2)c1 ZINC000542690726 1013609628 /nfs/dbraw/zinc/60/96/28/1013609628.db2.gz JWMBCRZXFDSFKW-HNNXBMFYSA-N 0 2 416.890 3.934 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)c1 ZINC000055579971 965934826 /nfs/dbraw/zinc/93/48/26/965934826.db2.gz AENKHZYRZJXESQ-UHFFFAOYSA-N 0 2 400.479 3.920 20 0 HHADLN CCN(Cc1cccc(NS(=O)(=O)c2cc(C)ccc2F)c1)C(=O)C(F)(F)F ZINC000055587277 965941749 /nfs/dbraw/zinc/94/17/49/965941749.db2.gz KMJHMYULINWZMS-UHFFFAOYSA-N 0 2 418.412 3.846 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)s1 ZINC000055587414 965942213 /nfs/dbraw/zinc/94/22/13/965942213.db2.gz UWJSJDYXBVPQJM-ZDUSSCGKSA-N 0 2 404.517 3.508 20 0 HHADLN O=S(=O)(Nc1ccc(OC(F)F)cc1OC(F)F)c1cc(F)cc(F)c1 ZINC000055592498 965946481 /nfs/dbraw/zinc/94/64/81/965946481.db2.gz QCTHFAJDXHPFJS-UHFFFAOYSA-N 0 2 401.284 3.968 20 0 HHADLN CCc1cc(=O)[nH]c(-c2cccc(NS(=O)(=O)c3cccc(Cl)c3F)c2)n1 ZINC000055621093 965967878 /nfs/dbraw/zinc/96/78/78/965967878.db2.gz KZVJGOARUDNGQE-UHFFFAOYSA-N 0 2 407.854 3.593 20 0 HHADLN Cc1ccc(Br)cc1NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000055630141 965974386 /nfs/dbraw/zinc/97/43/86/965974386.db2.gz KFTYQGMGUZGCJX-UHFFFAOYSA-N 0 2 413.268 3.582 20 0 HHADLN O=S(=O)(Nc1cnn(C[C@@H]2CCCO2)c1)c1c(Cl)cc(Cl)cc1Cl ZINC000055630715 965975425 /nfs/dbraw/zinc/97/54/25/965975425.db2.gz CQNQYMBHOZWBJL-NSHDSACASA-N 0 2 410.710 3.823 20 0 HHADLN O=C(NC1CC1)c1cc(NS(=O)(=O)c2ccc(Cl)cc2F)ccc1Cl ZINC000055639411 965983052 /nfs/dbraw/zinc/98/30/52/965983052.db2.gz ZIPATQIMHKSPFM-UHFFFAOYSA-N 0 2 403.262 3.826 20 0 HHADLN COc1ccccc1-c1nc(C(=O)NNC(=O)Cc2ccc3ccccc3c2)cs1 ZINC000059013144 965994833 /nfs/dbraw/zinc/99/48/33/965994833.db2.gz FAEOFNCPIWVSKO-UHFFFAOYSA-N 0 2 417.490 3.976 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1cccc(Nc2nc(C)cs2)c1 ZINC000060059916 966055414 /nfs/dbraw/zinc/05/54/14/966055414.db2.gz RPAYFOLWEHWECF-UHFFFAOYSA-N 0 2 409.514 3.844 20 0 HHADLN O=C1Cc2cc(S(=O)(=O)Nc3ccccc3OC(F)(F)F)c(Cl)cc2N1 ZINC000060371155 966117013 /nfs/dbraw/zinc/11/70/13/966117013.db2.gz ARZJKBLVVDQGFC-UHFFFAOYSA-N 0 2 406.769 3.534 20 0 HHADLN Cc1ccc(-n2ncc(C(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)c2C(C)C)cc1 ZINC000032315689 966220855 /nfs/dbraw/zinc/22/08/55/966220855.db2.gz BCTLAMFLSRFDSJ-UHFFFAOYSA-N 0 2 421.526 3.874 20 0 HHADLN CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cccc(C)c3)n2)s1 ZINC000060733599 966269692 /nfs/dbraw/zinc/26/96/92/966269692.db2.gz KNWSPHZGEUSRCK-UHFFFAOYSA-N 0 2 407.542 3.617 20 0 HHADLN C[C@@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)[C@H]1COc2ccccc21 ZINC000542726338 1013638389 /nfs/dbraw/zinc/63/83/89/1013638389.db2.gz AYYGBGKYKKBMAB-BXUZGUMPSA-N 0 2 400.891 3.967 20 0 HHADLN COCCOc1ccccc1CNC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000542730038 1013642275 /nfs/dbraw/zinc/64/22/75/1013642275.db2.gz UTHUSRYEHJKVLZ-UHFFFAOYSA-N 0 2 418.906 3.627 20 0 HHADLN CC(C)c1noc(CCCNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)n1 ZINC000542730599 1013643266 /nfs/dbraw/zinc/64/32/66/1013643266.db2.gz SUQPTBXZAUEFBT-UHFFFAOYSA-N 0 2 406.899 3.541 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)c(Br)c1 ZINC000037575980 966476852 /nfs/dbraw/zinc/47/68/52/966476852.db2.gz VZYSLLPKPGIELJ-UHFFFAOYSA-N 0 2 406.099 3.716 20 0 HHADLN Cc1ccc(OC[C@@H](C)NC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1 ZINC000063071651 966746812 /nfs/dbraw/zinc/74/68/12/966746812.db2.gz WCRIZGQMQVEOTF-QGZVFWFLSA-N 0 2 423.469 3.579 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)c1 ZINC000063149662 966763140 /nfs/dbraw/zinc/76/31/40/966763140.db2.gz GBGIYZKLJLWFMV-UHFFFAOYSA-N 0 2 421.446 3.845 20 0 HHADLN CC(C)COC(=O)Nc1cccc(NS(=O)(=O)c2cccc3nsnc32)c1 ZINC000063181469 966770047 /nfs/dbraw/zinc/77/00/47/966770047.db2.gz MGJNCBUVTFJTRD-UHFFFAOYSA-N 0 2 406.489 3.697 20 0 HHADLN N#C[C@@H](C(=O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2)cs1 ZINC000042651105 966820173 /nfs/dbraw/zinc/82/01/73/966820173.db2.gz VGCJEKZGNDWKQV-KRWDZBQOSA-N 0 2 401.447 3.673 20 0 HHADLN CC(C)Cc1nc(C(=O)NNC(=O)NCc2cccc(C(F)(F)F)c2)cs1 ZINC000063661497 966920645 /nfs/dbraw/zinc/92/06/45/966920645.db2.gz JMBZDOUNCYYCMP-UHFFFAOYSA-N 0 2 400.426 3.505 20 0 HHADLN CCN(CC)c1ccc(-c2nnc(SCc3n[nH]c(=O)[nH]3)n2-c2ccccc2)cc1 ZINC000538146884 1013706606 /nfs/dbraw/zinc/70/66/06/1013706606.db2.gz PNCOIJPTESCGPR-UHFFFAOYSA-N 0 2 421.530 3.897 20 0 HHADLN CCC(CC)n1c(COc2ccccc2Cl)nnc1SCc1n[nH]c(=O)[nH]1 ZINC000538148120 1013707812 /nfs/dbraw/zinc/70/78/12/1013707812.db2.gz VVAXHVVBJYMOCH-UHFFFAOYSA-N 0 2 408.915 3.988 20 0 HHADLN O=C(Cn1ccc2ccc(Cl)cc21)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000064701500 967272424 /nfs/dbraw/zinc/27/24/24/967272424.db2.gz AFLYJPLPJCODQO-UHFFFAOYSA-N 0 2 423.856 3.928 20 0 HHADLN O=C(Nc1ccc(-n2nccn2)cc1)c1[nH]nc(-c2ccccc2)c1Br ZINC000065107250 967380401 /nfs/dbraw/zinc/38/04/01/967380401.db2.gz GEMUHDMSBAWMBH-UHFFFAOYSA-N 0 2 409.247 3.672 20 0 HHADLN Cc1cc(C(=O)NC2CCCC2)ccc1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000065223539 967410719 /nfs/dbraw/zinc/41/07/19/967410719.db2.gz JJINXTLXLGWOJF-UHFFFAOYSA-N 0 2 412.433 3.886 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccc(Br)cc2C)cc1OC ZINC000045712604 967538475 /nfs/dbraw/zinc/53/84/75/967538475.db2.gz HFJGIMZLFYQCGT-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1cnc2c(c1)CCCC2 ZINC000542930903 1013765550 /nfs/dbraw/zinc/76/55/50/1013765550.db2.gz ZBKFHHHQXXHAHC-UHFFFAOYSA-N 0 2 401.532 3.633 20 0 HHADLN CC(C)([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(Cl)c1 ZINC000538213589 1013765819 /nfs/dbraw/zinc/76/58/19/1013765819.db2.gz HAIGVKVZFAMDSV-UHFFFAOYSA-N 0 2 401.938 3.636 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccc(C(F)(F)F)nc1 ZINC000542935724 1013769416 /nfs/dbraw/zinc/76/94/16/1013769416.db2.gz UGLHYJHMRDBASI-LBPRGKRZSA-N 0 2 420.384 3.598 20 0 HHADLN CC1CCN(Cc2csc(NS(=O)(=O)c3ccc(C(F)(F)F)nc3)n2)CC1 ZINC000542943766 1013776808 /nfs/dbraw/zinc/77/68/08/1013776808.db2.gz WSRHMBHUBXRCGG-UHFFFAOYSA-N 0 2 420.482 3.590 20 0 HHADLN CN(Cc1ccc(OCC(F)(F)F)cc1)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000554433190 1013947417 /nfs/dbraw/zinc/94/74/17/1013947417.db2.gz VVCFUSWFRZRVTI-UHFFFAOYSA-N 0 2 402.442 3.863 20 0 HHADLN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nc3c(s2)CCCCC3)c1 ZINC000220339607 970098526 /nfs/dbraw/zinc/09/85/26/970098526.db2.gz DAJGXILOYZHJJZ-UHFFFAOYSA-N 0 2 400.909 3.653 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(Br)c(F)c2)ncc1Br ZINC000226778199 970112102 /nfs/dbraw/zinc/11/21/02/970112102.db2.gz WBIWWWXMHGLVOL-UHFFFAOYSA-N 0 2 424.089 3.855 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccc(O)cc3)cc2[nH]c1=S ZINC000142115480 970141501 /nfs/dbraw/zinc/14/15/01/970141501.db2.gz WZHNIKAIOHSAQZ-LJQANCHMSA-N 0 2 407.495 3.928 20 0 HHADLN Cc1[nH]c2ccccc2c1C(=O)C(C#N)=C([O-])c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1 ZINC000147659583 970335720 /nfs/dbraw/zinc/33/57/20/970335720.db2.gz JWJBVICVNSLCIW-INIZCTEOSA-N 0 2 413.393 3.776 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(F)cc2)s1)c1cnc2ccccc2c1 ZINC000554678261 1014009762 /nfs/dbraw/zinc/00/97/62/1014009762.db2.gz SGLGVZBLHGOTQL-UHFFFAOYSA-N 0 2 400.460 3.617 20 0 HHADLN Oc1c(Br)cc(CN=Nc2cncc(Cl)n2)cc1Br ZINC000254873576 970581624 /nfs/dbraw/zinc/58/16/24/970581624.db2.gz DGDLROUOLSSOCH-UHFFFAOYSA-N 0 2 406.465 3.807 20 0 HHADLN Cn1ncc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1-c1ccccc1 ZINC000554687447 1014013798 /nfs/dbraw/zinc/01/37/98/1014013798.db2.gz SYXQSWOCIFBLFH-UHFFFAOYSA-N 0 2 411.405 3.829 20 0 HHADLN CC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)cc1 ZINC000319462360 972670922 /nfs/dbraw/zinc/67/09/22/972670922.db2.gz BSTQNJZAQFODGA-UHFFFAOYSA-N 0 2 403.685 3.862 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000390120284 972820001 /nfs/dbraw/zinc/82/00/01/972820001.db2.gz NJIFETIXQUUOLX-UHFFFAOYSA-N 0 2 404.669 3.690 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2cccc(Br)c2)cc1F ZINC000409457780 972903276 /nfs/dbraw/zinc/90/32/76/972903276.db2.gz XDRBFHAJDXWDCH-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN C[C@@H](OCc1ccccc1)C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000409542046 972998679 /nfs/dbraw/zinc/99/86/79/972998679.db2.gz BWCRXEFABYNTOV-LLVKDONJSA-N 0 2 419.254 3.917 20 0 HHADLN CNC(=O)c1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(C)c(C)c3)s2)cc1 ZINC000409572073 973021060 /nfs/dbraw/zinc/02/10/60/973021060.db2.gz ARSCFCQACXCJHO-UHFFFAOYSA-N 0 2 415.540 3.511 20 0 HHADLN COc1ccc(Cn2ncc(C)c2NS(=O)(=O)c2cc(F)ccc2C)cc1OC ZINC000409572239 973021534 /nfs/dbraw/zinc/02/15/34/973021534.db2.gz STCLAFBQYGUNMP-UHFFFAOYSA-N 0 2 419.478 3.505 20 0 HHADLN CC(=O)c1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000409583999 973034011 /nfs/dbraw/zinc/03/40/11/973034011.db2.gz IMZPCQQOZSHGIT-UHFFFAOYSA-N 0 2 423.416 3.954 20 0 HHADLN O=C1CCCc2cc(S(=O)(=O)Nc3nc4cc(F)c(F)cc4s3)ccc2N1 ZINC000409635208 973082331 /nfs/dbraw/zinc/08/23/31/973082331.db2.gz AXMPHHOIPXMANY-UHFFFAOYSA-N 0 2 409.439 3.650 20 0 HHADLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)sc2C1 ZINC000409662672 973116429 /nfs/dbraw/zinc/11/64/29/973116429.db2.gz CCKPNIJCJPGJCF-NSHDSACASA-N 0 2 423.535 3.873 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3cccc(C)c3)s2)c1 ZINC000409667037 973124926 /nfs/dbraw/zinc/12/49/26/973124926.db2.gz RGSZTNRSCGMKKH-UHFFFAOYSA-N 0 2 402.497 3.630 20 0 HHADLN O=C(CCCC1CCOCC1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000409668759 973129387 /nfs/dbraw/zinc/12/93/87/973129387.db2.gz KRSSARNJBJCKBK-UHFFFAOYSA-N 0 2 411.275 3.909 20 0 HHADLN CCOc1cccc(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)c1 ZINC000410332881 973908524 /nfs/dbraw/zinc/90/85/24/973908524.db2.gz KQCNMXYFZDAIEJ-UHFFFAOYSA-N 0 2 409.920 3.982 20 0 HHADLN CC1(C)Cc2cccc(S(=O)(=O)Nc3nnc(Cc4cccc(F)c4)s3)c2O1 ZINC000410332815 973908662 /nfs/dbraw/zinc/90/86/62/973908662.db2.gz JSBULXQLJXBQRX-UHFFFAOYSA-N 0 2 419.503 3.782 20 0 HHADLN O=S(=O)(Nc1cn[nH]c1)c1ccc(Oc2ccc(F)cc2)c(Br)c1 ZINC000410335218 973912980 /nfs/dbraw/zinc/91/29/80/973912980.db2.gz NEEBWALJVCGYSN-UHFFFAOYSA-N 0 2 412.240 3.904 20 0 HHADLN COc1ccc(OC)c(NS(=O)(=O)c2ccc(Cl)cc2Br)c1 ZINC000410355426 973946360 /nfs/dbraw/zinc/94/63/60/973946360.db2.gz QZVYJYHMLMWELU-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Br)c(OC)c1 ZINC000410355748 973947659 /nfs/dbraw/zinc/94/76/59/973947659.db2.gz SNXMHPJFKUCWGY-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN COc1cncc(S(=O)(=O)Nc2cc(COc3cccc(F)c3)ccc2OC)c1 ZINC000410374216 973970395 /nfs/dbraw/zinc/97/03/95/973970395.db2.gz MPALCNRCMYPQBU-UHFFFAOYSA-N 0 2 418.446 3.618 20 0 HHADLN Cc1c(NS(=O)(=O)c2cccc(Br)c2F)cnn1-c1ccccc1 ZINC000410382142 973980391 /nfs/dbraw/zinc/98/03/91/973980391.db2.gz NMJTWXQRSUKFGP-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN Cc1c(C[S@@](C)=O)cccc1NS(=O)(=O)c1cccc(Br)c1F ZINC000410384271 973982494 /nfs/dbraw/zinc/98/24/94/973982494.db2.gz PVPQGFAQPLWAPY-JOCHJYFZSA-N 0 2 420.325 3.576 20 0 HHADLN Cn1c(C[NH2+][C@@H](CSCc2cccc3cccnc32)C(=O)[O-])nc2ccccc21 ZINC000426727267 974618793 /nfs/dbraw/zinc/61/87/93/974618793.db2.gz NYXVRQYUJBSSPN-SFHVURJKSA-N 0 2 406.511 3.598 20 0 HHADLN O=C([O-])[C@@H](CN1CCCc2ccccc21)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000426738295 974625799 /nfs/dbraw/zinc/62/57/99/974625799.db2.gz UXXOZNXKTCQAMC-LJQANCHMSA-N 0 2 411.502 3.945 20 0 HHADLN Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H](C(=O)[O-])c1ccsc1 ZINC000426833802 974698373 /nfs/dbraw/zinc/69/83/73/974698373.db2.gz MTPLIPQTNSFGHE-INIZCTEOSA-N 0 2 406.305 3.920 20 0 HHADLN COCCOc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1 ZINC000427113121 974914261 /nfs/dbraw/zinc/91/42/61/974914261.db2.gz HAFNNSQYLWMKKF-UHFFFAOYSA-N 0 2 409.357 3.550 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)c1 ZINC000427280166 975021991 /nfs/dbraw/zinc/02/19/91/975021991.db2.gz IQHVAGOOUBHZMS-UHFFFAOYSA-N 0 2 423.878 3.917 20 0 HHADLN Cn1ncc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1-c1ccccc1 ZINC000427309297 975041929 /nfs/dbraw/zinc/04/19/29/975041929.db2.gz PACKAYDGIDDMOH-UHFFFAOYSA-N 0 2 415.368 3.926 20 0 HHADLN O=C(CCc1ccncn1)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000427606928 975209806 /nfs/dbraw/zinc/20/98/06/975209806.db2.gz PBEMAUDPSSEZIR-UHFFFAOYSA-N 0 2 403.467 3.781 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc(/C=C/c3ccccc3)cs2)cnc1C ZINC000427747626 975266104 /nfs/dbraw/zinc/26/61/04/975266104.db2.gz MCNQAEDHYYPUMC-CMDGGOBGSA-N 0 2 415.496 3.604 20 0 HHADLN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)co2)s1 ZINC000427750252 975267784 /nfs/dbraw/zinc/26/77/84/975267784.db2.gz UBAMTWORKPRRBG-UHFFFAOYSA-N 0 2 413.565 3.539 20 0 HHADLN O=S(=O)(Nc1ccc(-n2ccnc2)c(F)c1)c1cccc(OC(F)(F)F)c1F ZINC000427779267 975283769 /nfs/dbraw/zinc/28/37/69/975283769.db2.gz LFBGUPSFOGUIBD-UHFFFAOYSA-N 0 2 419.331 3.850 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc3c(s2)CSCC3)c1 ZINC000427791002 975290771 /nfs/dbraw/zinc/29/07/71/975290771.db2.gz BZQVDJCXBNGJRL-UHFFFAOYSA-N 0 2 418.949 3.563 20 0 HHADLN O=C(NCc1nc(-c2ccccc2F)cs1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000428551873 975861480 /nfs/dbraw/zinc/86/14/80/975861480.db2.gz LHADZLDSTWPTGS-UHFFFAOYSA-N 0 2 412.421 3.910 20 0 HHADLN CCOc1nc(C(F)(F)F)ccc1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000428731270 976015999 /nfs/dbraw/zinc/01/59/99/976015999.db2.gz LLZALZYMZPUTAT-UHFFFAOYSA-N 0 2 400.407 3.753 20 0 HHADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc(Br)cc3)o2)cc1F ZINC000430046429 977294847 /nfs/dbraw/zinc/29/48/47/977294847.db2.gz OXQJXZAULXABFY-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN O=S(=O)(Nc1noc(-c2ccccc2Cl)n1)c1cccc(Br)c1 ZINC000430065011 977305531 /nfs/dbraw/zinc/30/55/31/977305531.db2.gz JXDMQBRFCQWSBZ-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN NC(=O)CSc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000430078158 977310270 /nfs/dbraw/zinc/31/02/70/977310270.db2.gz QUNJOAJEVQBURY-UHFFFAOYSA-N 0 2 424.853 3.737 20 0 HHADLN O=C(NC[C@H]1CSCCN1Cc1ccccc1)c1ccc(Br)c(O)c1 ZINC000430105635 977321552 /nfs/dbraw/zinc/32/15/52/977321552.db2.gz UVQUXWVXUZDNAM-INIZCTEOSA-N 0 2 421.360 3.502 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)cc1F ZINC000430360058 977501656 /nfs/dbraw/zinc/50/16/56/977501656.db2.gz QYLHOYXHZPSYRV-UHFFFAOYSA-N 0 2 413.474 3.602 20 0 HHADLN CC[C@@H](C)[C@H](NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)C(=O)OC ZINC000430445453 977556041 /nfs/dbraw/zinc/55/60/41/977556041.db2.gz ZKYQKYLUGKNSLZ-VLIAUNLRSA-N 0 2 408.454 3.638 20 0 HHADLN O=C(c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)N1CC[C@H]([C@H]2CCOC2)C1 ZINC000430580108 977642612 /nfs/dbraw/zinc/64/26/12/977642612.db2.gz HIUCLTHPADBAIM-IRXDYDNUSA-N 0 2 404.466 3.819 20 0 HHADLN O=C(c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)N1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000430580105 977642622 /nfs/dbraw/zinc/64/26/22/977642622.db2.gz HIUCLTHPADBAIM-IAGOWNOFSA-N 0 2 404.466 3.819 20 0 HHADLN O=C(c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)N1CCC2(C1)CCOCC2 ZINC000430597379 977650273 /nfs/dbraw/zinc/65/02/73/977650273.db2.gz AENOHLJMKLQYPY-UHFFFAOYSA-N 0 2 404.466 3.963 20 0 HHADLN C[C@H](NC(=O)N=c1nc(C(C)(C)C)[nH]s1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431183552 978082139 /nfs/dbraw/zinc/08/21/39/978082139.db2.gz YBZBRIUMRYMSSB-VIFPVBQESA-N 0 2 406.899 3.844 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)cc1OC ZINC000431305817 978191383 /nfs/dbraw/zinc/19/13/83/978191383.db2.gz AEHQSBMMWDNDHL-UHFFFAOYSA-N 0 2 423.491 3.779 20 0 HHADLN CN1CCc2ccc(S(=O)(=O)Nc3nnc(-c4ccccc4Cl)s3)cc21 ZINC000431318494 978203689 /nfs/dbraw/zinc/20/36/89/978203689.db2.gz KINZXEKMMBNKPO-UHFFFAOYSA-N 0 2 406.920 3.652 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)cc1C ZINC000431327536 978213584 /nfs/dbraw/zinc/21/35/84/978213584.db2.gz RWIRUUNVEZLWJX-UHFFFAOYSA-N 0 2 417.512 3.718 20 0 HHADLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)c1 ZINC000431330896 978216130 /nfs/dbraw/zinc/21/61/30/978216130.db2.gz DSRLPKGAHYTWIR-UHFFFAOYSA-N 0 2 417.512 3.718 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000431728314 978464085 /nfs/dbraw/zinc/46/40/85/978464085.db2.gz XIRJBNNXWMDBFS-UHFFFAOYSA-N 0 2 417.372 3.948 20 0 HHADLN CCCc1c(NS(=O)(=O)c2c(C)nn(CC)c2C)cnn1-c1ccc(F)cc1 ZINC000432052104 978661971 /nfs/dbraw/zinc/66/19/71/978661971.db2.gz XMAZYIRPWLUBDD-UHFFFAOYSA-N 0 2 405.499 3.598 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000432180814 978702669 /nfs/dbraw/zinc/70/26/69/978702669.db2.gz XUAIMYYZAMGDNT-UHFFFAOYSA-N 0 2 406.847 3.946 20 0 HHADLN CNC(=O)c1ccc(OC)c(NS(=O)(=O)c2csc3ccc(Cl)cc32)c1 ZINC000432183303 978703881 /nfs/dbraw/zinc/70/38/81/978703881.db2.gz XDUZCVOVVLONRG-UHFFFAOYSA-N 0 2 410.904 3.724 20 0 HHADLN COc1ccccc1C[C@H]1CCCN1C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000432306879 978755167 /nfs/dbraw/zinc/75/51/67/978755167.db2.gz KANZYUPGUMOUNO-GOSISDBHSA-N 0 2 409.461 3.881 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2cc(Cl)sc2Cl)sc1C1CC1 ZINC000432364678 978779177 /nfs/dbraw/zinc/77/91/77/978779177.db2.gz LAWMOZJIYKKXSC-UHFFFAOYSA-N 0 2 413.329 3.976 20 0 HHADLN CC(C)(C)n1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000432385303 978790780 /nfs/dbraw/zinc/79/07/80/978790780.db2.gz FEBILWLZYKJQST-UHFFFAOYSA-N 0 2 422.510 3.947 20 0 HHADLN C[C@@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)c1ccc(Br)cn1 ZINC000432415302 978801808 /nfs/dbraw/zinc/80/18/08/978801808.db2.gz BYTUCMNMALCMKR-MRVPVSSYSA-N 0 2 410.322 3.729 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)c(F)c1 ZINC000432531179 978867983 /nfs/dbraw/zinc/86/79/83/978867983.db2.gz NLLQAMLUYYQLBB-HNNXBMFYSA-N 0 2 419.503 3.955 20 0 HHADLN COc1ccccc1S(=O)(=O)Nc1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000432531033 978868001 /nfs/dbraw/zinc/86/80/01/978868001.db2.gz MTFXYECZKPFNPB-OAHLLOKOSA-N 0 2 401.513 3.816 20 0 HHADLN CN(C)c1cccc(S(=O)(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)c1 ZINC000432532603 978868639 /nfs/dbraw/zinc/86/86/39/978868639.db2.gz XKOHKHBRPSIJBF-GOSISDBHSA-N 0 2 414.556 3.873 20 0 HHADLN CN(C)c1ccc(S(=O)(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)cc1 ZINC000432782397 978973117 /nfs/dbraw/zinc/97/31/17/978973117.db2.gz XETSYDIUKUJDCU-UHFFFAOYSA-N 0 2 410.421 3.758 20 0 HHADLN Cc1cc(Br)ccc1S(=O)(=O)Nc1noc(Cc2ccccc2)n1 ZINC000432953663 979022257 /nfs/dbraw/zinc/02/22/57/979022257.db2.gz CAODUVWLNKRJRF-UHFFFAOYSA-N 0 2 408.277 3.532 20 0 HHADLN CC(C)Cc1noc(-c2cc(Cl)ccc2NS(=O)(=O)c2cncc(F)c2)n1 ZINC000432955083 979022678 /nfs/dbraw/zinc/02/26/78/979022678.db2.gz LAXBJZNGCHQLNS-UHFFFAOYSA-N 0 2 410.858 3.923 20 0 HHADLN Cn1nc([C@H]2CCCO2)cc1NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000432957578 979023843 /nfs/dbraw/zinc/02/38/43/979023843.db2.gz CEMCRGJXIIVGCN-CYBMUJFWSA-N 0 2 409.817 3.745 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cc([C@H]3CCCO3)nn2C)c2ccccc12 ZINC000432967143 979028051 /nfs/dbraw/zinc/02/80/51/979028051.db2.gz OPAUHQGCUJQNED-GOSISDBHSA-N 0 2 401.488 3.624 20 0 HHADLN CC(C)[C@H]1N(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC1(C)C ZINC000433000047 979037575 /nfs/dbraw/zinc/03/75/75/979037575.db2.gz DDHYFTAOBJOUPS-OAHLLOKOSA-N 0 2 408.549 3.842 20 0 HHADLN CC(C)n1nc(-c2ccco2)cc1NS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000433114902 979079697 /nfs/dbraw/zinc/07/96/97/979079697.db2.gz IHABZUDMKPXNMX-UHFFFAOYSA-N 0 2 409.471 3.982 20 0 HHADLN O=C1NCCc2ccc(S(=O)(=O)Nc3ccc(-c4ccc(Cl)s4)cn3)cc21 ZINC000433125738 979086101 /nfs/dbraw/zinc/08/61/01/979086101.db2.gz LVGAAAFFUCYEMV-UHFFFAOYSA-N 0 2 419.915 3.550 20 0 HHADLN Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc(-c4ccc(Cl)s4)cn3)cc12 ZINC000433125963 979086654 /nfs/dbraw/zinc/08/66/54/979086654.db2.gz ASXBMEQSFDRWTL-UHFFFAOYSA-N 0 2 419.919 3.854 20 0 HHADLN Cc1cc(C)nc(-n2nccc2NS(=O)(=O)c2csc3ccc(Cl)cc32)n1 ZINC000433400906 979277119 /nfs/dbraw/zinc/27/71/19/979277119.db2.gz VHKIAAZZDSASBN-UHFFFAOYSA-N 0 2 419.919 3.948 20 0 HHADLN CC(=O)Nc1ccc(NS(=O)(=O)c2cc(Br)sc2Cl)cc1 ZINC000433608586 979421873 /nfs/dbraw/zinc/42/18/73/979421873.db2.gz KYANXAXUKNHPNG-UHFFFAOYSA-N 0 2 409.714 3.923 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccc(OCC(F)(F)F)cn1 ZINC000433987842 979737323 /nfs/dbraw/zinc/73/73/23/979737323.db2.gz KCPGBRUZLPULGU-UHFFFAOYSA-N 0 2 414.796 3.869 20 0 HHADLN C[C@H]1CCc2onc(C(=O)Nc3nc(-c4ccc(Br)cc4)n[nH]3)c2C1 ZINC000434129250 979886190 /nfs/dbraw/zinc/88/61/90/979886190.db2.gz VTDMRXJFJSTHLU-VIFPVBQESA-N 0 2 402.252 3.599 20 0 HHADLN Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)[nH]n1 ZINC000434963359 980535013 /nfs/dbraw/zinc/53/50/13/980535013.db2.gz QKNJRHPGPQVFIU-UHFFFAOYSA-N 0 2 404.451 3.905 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cc(-c3cc(C)c(C)cc3C)n[nH]2)cc1 ZINC000434970987 980541148 /nfs/dbraw/zinc/54/11/48/980541148.db2.gz GHNCKALHKCYKFC-UHFFFAOYSA-N 0 2 412.515 3.785 20 0 HHADLN Cc1nnc(-c2ccccc2NS(=O)(=O)c2cc(F)ccc2Br)o1 ZINC000435129475 980660460 /nfs/dbraw/zinc/66/04/60/980660460.db2.gz KAMVYJXVPRRPFZ-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(Sc3ccncc3)cc2)cnn1-c1ccccn1 ZINC000435131991 980662954 /nfs/dbraw/zinc/66/29/54/980662954.db2.gz UKVGABQVZXWDMN-UHFFFAOYSA-N 0 2 423.523 3.923 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)cnn1C1CCCC1 ZINC000435722237 981002707 /nfs/dbraw/zinc/00/27/07/981002707.db2.gz ICIUEVXOGYCWHY-HNNXBMFYSA-N 0 2 423.510 3.662 20 0 HHADLN Cc1ccnc(-c2cccc(NS(=O)(=O)c3cnc(-c4ccccc4)nc3)c2)n1 ZINC000436005601 981148477 /nfs/dbraw/zinc/14/84/77/981148477.db2.gz SALBSYVENFREKF-UHFFFAOYSA-N 0 2 403.467 3.710 20 0 HHADLN O=C(NC1CCCC1)c1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1 ZINC000436009962 981152155 /nfs/dbraw/zinc/15/21/55/981152155.db2.gz GBUHQWLJLLIWFM-UHFFFAOYSA-N 0 2 422.510 3.617 20 0 HHADLN Cc1nncn1-c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000436175365 981235169 /nfs/dbraw/zinc/23/51/69/981235169.db2.gz ADPQVTWVHWUTKN-UHFFFAOYSA-N 0 2 400.357 3.534 20 0 HHADLN CCOC(=O)CC1(S(=O)(=O)Nc2cc3oc4ccccc4c3cc2OC)CC1 ZINC000436480795 981394771 /nfs/dbraw/zinc/39/47/71/981394771.db2.gz YBILYQZUMKDNEY-UHFFFAOYSA-N 0 2 403.456 3.822 20 0 HHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000436533200 981425300 /nfs/dbraw/zinc/42/53/00/981425300.db2.gz UUELXUBRSVXWCY-GFCCVEGCSA-N 0 2 403.360 3.879 20 0 HHADLN O=C(Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1)c1cc(F)c(O)c(F)c1 ZINC000436535405 981426574 /nfs/dbraw/zinc/42/65/74/981426574.db2.gz ZWWDLFATOHJSOC-UHFFFAOYSA-N 0 2 421.407 3.819 20 0 HHADLN CCC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(Br)sc2C)c1 ZINC000436601133 981468404 /nfs/dbraw/zinc/46/84/04/981468404.db2.gz AWTYJOHFPOKFTM-UHFFFAOYSA-N 0 2 404.307 3.918 20 0 HHADLN CC1(C)CN(C(=O)c2cc(Cl)cc(Br)c2O)C[C@@]2(CCCOC2)O1 ZINC000436609057 981472235 /nfs/dbraw/zinc/47/22/35/981472235.db2.gz VHWGVPDAVPRAGP-QGZVFWFLSA-N 0 2 418.715 3.608 20 0 HHADLN CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cc(F)c(O)c(F)c2)ccc1Cl ZINC000436625230 981480875 /nfs/dbraw/zinc/48/08/75/981480875.db2.gz CNDKSISDTLPARU-UHFFFAOYSA-N 0 2 418.849 3.607 20 0 HHADLN O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)c1cc(Cl)cc(Br)c1[O-] ZINC000436625719 981481486 /nfs/dbraw/zinc/48/14/86/981481486.db2.gz GGCXCMBTFOVKAH-UHFFFAOYSA-N 0 2 420.694 3.983 20 0 HHADLN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3cc(F)c(O)c(F)c3)C2)cc1 ZINC000436636294 981486298 /nfs/dbraw/zinc/48/62/98/981486298.db2.gz UWIKAMOKRAEEPQ-AWEZNQCLSA-N 0 2 403.429 3.653 20 0 HHADLN O=C(c1cc(-c2ccccc2)cc(Cl)c1O)N1CCO[C@H](COCC2CC2)C1 ZINC000436674422 981505244 /nfs/dbraw/zinc/50/52/44/981505244.db2.gz HUEFKYIJNXNRCI-SFHVURJKSA-N 0 2 401.890 3.980 20 0 HHADLN C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436715092 981527402 /nfs/dbraw/zinc/52/74/02/981527402.db2.gz HUSSUGGTESVKGS-NWDGAFQWSA-N 0 2 407.923 3.524 20 0 HHADLN C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436715092 981527406 /nfs/dbraw/zinc/52/74/06/981527406.db2.gz HUSSUGGTESVKGS-NWDGAFQWSA-N 0 2 407.923 3.524 20 0 HHADLN CCSc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)c1 ZINC000436773228 981555723 /nfs/dbraw/zinc/55/57/23/981555723.db2.gz QHKCPGBZAHKJGR-UHFFFAOYSA-N 0 2 406.529 3.541 20 0 HHADLN COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1cc(F)cc(Cl)c1O ZINC000436786850 981561246 /nfs/dbraw/zinc/56/12/46/981561246.db2.gz FRDAEDSNNGHBAW-UHFFFAOYSA-N 0 2 401.221 3.605 20 0 HHADLN COc1ccc(-c2cc(C(=O)Nc3cc(Br)ccc3O)[nH]n2)cc1OC ZINC000436800750 981568199 /nfs/dbraw/zinc/56/81/99/981568199.db2.gz XRJMEUSENZQVCN-UHFFFAOYSA-N 0 2 418.247 3.814 20 0 HHADLN O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)c1cc(F)cc(Br)c1O ZINC000436846622 981587310 /nfs/dbraw/zinc/58/73/10/981587310.db2.gz IDKAXCXYQQTXOI-HNNXBMFYSA-N 0 2 423.238 3.664 20 0 HHADLN CC(C)c1nc([C@@H]2CCCN(C(=O)c3cc(F)cc(Br)c3O)C2)no1 ZINC000436852172 981591457 /nfs/dbraw/zinc/59/14/57/981591457.db2.gz NZBSHYXOQYULQQ-SNVBAGLBSA-N 0 2 412.259 3.820 20 0 HHADLN COc1cccc(N2CC[C@@H](CNC(=O)c3cc(F)cc(Br)c3O)C2)c1 ZINC000436860747 981595771 /nfs/dbraw/zinc/59/57/71/981595771.db2.gz YATCQHIVPQHMNI-LBPRGKRZSA-N 0 2 423.282 3.559 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000436886632 981601848 /nfs/dbraw/zinc/60/18/48/981601848.db2.gz HMQXYTKOHZZMMD-BONVTDFDSA-N 0 2 416.193 3.520 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(-c2nc(C3CCCC3)no2)c1 ZINC000436888822 981602537 /nfs/dbraw/zinc/60/25/37/981602537.db2.gz UJSFITIRBFUJEM-UHFFFAOYSA-N 0 2 415.471 3.909 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000436893212 981603826 /nfs/dbraw/zinc/60/38/26/981603826.db2.gz ONYIBIHVQCEUHB-CQSZACIVSA-N 0 2 408.223 4.000 20 0 HHADLN O=C(NC1(c2noc([C@H]3CCOC3)n2)CCCCCC1)c1cc(F)c(O)c(F)c1 ZINC000436964944 981652104 /nfs/dbraw/zinc/65/21/04/981652104.db2.gz ICUKYJHQDJLHAS-LBPRGKRZSA-N 0 2 407.417 3.537 20 0 HHADLN O=C(NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1)c1cc(F)c(O)c(F)c1 ZINC000436967106 981653783 /nfs/dbraw/zinc/65/37/83/981653783.db2.gz OLUNQJFSGNZBJQ-HNNXBMFYSA-N 0 2 407.417 3.884 20 0 HHADLN C[N@@H+]1CCO[C@@H]([C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000436979362 981663739 /nfs/dbraw/zinc/66/37/39/981663739.db2.gz KPTNMWLIROJNJJ-IAGOWNOFSA-N 0 2 413.276 3.640 20 0 HHADLN C[N@H+]1CCO[C@@H]([C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000436979362 981663741 /nfs/dbraw/zinc/66/37/41/981663741.db2.gz KPTNMWLIROJNJJ-IAGOWNOFSA-N 0 2 413.276 3.640 20 0 HHADLN CC[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O ZINC000436986285 981668343 /nfs/dbraw/zinc/66/83/43/981668343.db2.gz HAKZSLZBWSYJGW-HNNXBMFYSA-N 0 2 418.515 3.606 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2F)s1)c1cccc2cnccc21 ZINC000437168098 981820520 /nfs/dbraw/zinc/82/05/20/981820520.db2.gz UYWMNFFUVGBBBE-UHFFFAOYSA-N 0 2 400.460 3.617 20 0 HHADLN CC(=O)Nc1ccc2nc(NS(=O)(=O)c3cnc4ccsc4c3)sc2c1 ZINC000437168219 981820803 /nfs/dbraw/zinc/82/08/03/981820803.db2.gz PYWBILAWACUXHZ-UHFFFAOYSA-N 0 2 404.498 3.665 20 0 HHADLN Cc1cnn(Cc2cc(F)ccc2F)c1NS(=O)(=O)c1cnc2ccsc2c1 ZINC000437176025 981832177 /nfs/dbraw/zinc/83/21/77/981832177.db2.gz JOOGXZKFRGHILL-UHFFFAOYSA-N 0 2 420.466 3.929 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(Cl)c2)s1)c1ccc2c(c1)CCO2 ZINC000437177323 981832945 /nfs/dbraw/zinc/83/29/45/981832945.db2.gz RQWRWOWUYHKZTG-UHFFFAOYSA-N 0 2 407.904 3.518 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)cc1 ZINC000437187625 981843076 /nfs/dbraw/zinc/84/30/76/981843076.db2.gz MRTLLACISJIJLZ-UHFFFAOYSA-N 0 2 408.549 3.810 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CC[C@@H](COCc2ccccc2)C1 ZINC000460137665 981911851 /nfs/dbraw/zinc/91/18/51/981911851.db2.gz ZNCSSMFYKJGHHG-OAHLLOKOSA-N 0 2 400.529 3.759 20 0 HHADLN CC(C)c1cnc(NS(=O)(=O)c2cc3c(cc2Br)OCCO3)s1 ZINC000437311143 981963789 /nfs/dbraw/zinc/96/37/89/981963789.db2.gz YNHIDFISEWTIAX-UHFFFAOYSA-N 0 2 419.322 3.601 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)c1C ZINC000437324513 981975359 /nfs/dbraw/zinc/97/53/59/981975359.db2.gz JHDQFXOQPNMGMD-UHFFFAOYSA-N 0 2 409.515 3.719 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1cc(F)c(F)c(F)c1 ZINC000437326827 981978161 /nfs/dbraw/zinc/97/81/61/981978161.db2.gz RQQSOVMVXLFDHF-UHFFFAOYSA-N 0 2 419.787 3.942 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3cccc(F)c3C)s2)c1 ZINC000437395066 982039519 /nfs/dbraw/zinc/03/95/19/982039519.db2.gz NCNLEWMZMOWYIJ-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN Cc1ccsc1Cn1nccc1NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000437418721 982060332 /nfs/dbraw/zinc/06/03/32/982060332.db2.gz HMKZRPNWEHOOLU-UHFFFAOYSA-N 0 2 403.529 3.941 20 0 HHADLN Cc1cc(C[C@H](C)NC(=O)NC[C@]2(CO)C[C@@H]2c2ccccc2)n(-c2ccccc2)n1 ZINC000460384890 982163187 /nfs/dbraw/zinc/16/31/87/982163187.db2.gz HHNBWWTXMSEKIA-UODBTFMRSA-N 0 2 418.541 3.577 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)cnn1-c1ccc(Cl)cc1 ZINC000460420104 982207393 /nfs/dbraw/zinc/20/73/93/982207393.db2.gz BMFOCARTYRFITI-UHFFFAOYSA-N 0 2 416.890 3.520 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c(C(F)(F)F)c1 ZINC000460425819 982213938 /nfs/dbraw/zinc/21/39/38/982213938.db2.gz XUDZVGKWYVNPPN-UHFFFAOYSA-N 0 2 415.368 3.840 20 0 HHADLN COc1cccc(Cn2ccc3ccc(NS(=O)(=O)c4cnc5n4CCC5)cc32)c1 ZINC000437657301 982274987 /nfs/dbraw/zinc/27/49/87/982274987.db2.gz USNQVDYUFRZJDR-UHFFFAOYSA-N 0 2 422.510 3.642 20 0 HHADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2cccnc2-c2csc(C)c2)c1 ZINC000437672762 982287558 /nfs/dbraw/zinc/28/75/58/982287558.db2.gz JZOMWTMTYBKTHE-UHFFFAOYSA-N 0 2 406.460 3.845 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cccc(OCC)c2)nc1C(F)(F)F ZINC000460522881 982310112 /nfs/dbraw/zinc/31/01/12/982310112.db2.gz FUAHTEZRKAKUJU-UHFFFAOYSA-N 0 2 424.422 3.538 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)c(F)c2)o1)c1ccc(CC(F)(F)F)cc1 ZINC000460541330 982328145 /nfs/dbraw/zinc/32/81/45/982328145.db2.gz CZHFYBNRMTYNFA-UHFFFAOYSA-N 0 2 419.331 3.920 20 0 HHADLN O=S(=O)(Nc1ccc(Br)c(F)c1)c1cnn(-c2ccccc2F)c1 ZINC000460822501 982574164 /nfs/dbraw/zinc/57/41/64/982574164.db2.gz FJQKGGDPPXOFHW-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1OCC(F)F ZINC000460822619 982574390 /nfs/dbraw/zinc/57/43/90/982574390.db2.gz FMUQEUITOWLMLY-UHFFFAOYSA-N 0 2 411.405 3.765 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)c(F)c2)c(Cl)c1 ZINC000460823950 982575504 /nfs/dbraw/zinc/57/55/04/982575504.db2.gz MIIPLFFDSQYRSS-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000460823629 982575594 /nfs/dbraw/zinc/57/55/94/982575594.db2.gz KFERJKPULNSCHD-UHFFFAOYSA-N 0 2 408.234 3.729 20 0 HHADLN CCCn1ccc2ccc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)cc21 ZINC000460830062 982580014 /nfs/dbraw/zinc/58/00/14/982580014.db2.gz KLBPVMPVQQDAIR-UHFFFAOYSA-N 0 2 401.463 3.876 20 0 HHADLN CCn1nc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1C ZINC000460832311 982582670 /nfs/dbraw/zinc/58/26/70/982582670.db2.gz VHXXLPKZDZPFQU-UHFFFAOYSA-N 0 2 416.478 3.712 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cccc(C[S@@](C)=O)c2)cnn1-c1ccc(Cl)cc1 ZINC000460834497 982583800 /nfs/dbraw/zinc/58/38/00/982583800.db2.gz VUAADLVGJJLRPT-AREMUKBSSA-N 0 2 423.947 3.513 20 0 HHADLN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc2ccn(C)c2c1 ZINC000460837663 982587212 /nfs/dbraw/zinc/58/72/12/982587212.db2.gz DEOYSYLFOWIQOF-UHFFFAOYSA-N 0 2 412.389 3.785 20 0 HHADLN C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2O)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000438189909 982642495 /nfs/dbraw/zinc/64/24/95/982642495.db2.gz MYPJRXCPXYYTHI-AGKHESDQSA-N 0 2 418.715 3.607 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)cs1 ZINC000438751271 983045028 /nfs/dbraw/zinc/04/50/28/983045028.db2.gz BNCTUAUPAZHNQV-CYBMUJFWSA-N 0 2 420.512 3.630 20 0 HHADLN O=S(=O)(Nc1cc(C(F)(F)F)ccc1O)c1cc2c(cc1Cl)OCCO2 ZINC000438755764 983048546 /nfs/dbraw/zinc/04/85/46/983048546.db2.gz NYVYJWUNBWVUGP-UHFFFAOYSA-N 0 2 409.769 3.636 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)c[nH]1 ZINC000438776861 983064712 /nfs/dbraw/zinc/06/47/12/983064712.db2.gz JILHTROVWOPMQC-AWEZNQCLSA-N 0 2 400.456 3.742 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(C)c(Br)c2)cn1 ZINC000438804384 983081205 /nfs/dbraw/zinc/08/12/05/983081205.db2.gz JBWZTWYTIFGVMI-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)=N1 ZINC000438907119 983146901 /nfs/dbraw/zinc/14/69/01/983146901.db2.gz KLUJLXPWEBRQDM-GOSISDBHSA-N 0 2 418.497 3.631 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N(Cc3ccc(C(N)=O)cc3)C3CC3)=N2)cc1 ZINC000438930314 983160042 /nfs/dbraw/zinc/16/00/42/983160042.db2.gz VQOLOZBBIVQHDC-UHFFFAOYSA-N 0 2 418.497 3.605 20 0 HHADLN COCCOc1ccc(CNC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)cc1 ZINC000439053181 983229225 /nfs/dbraw/zinc/22/92/25/983229225.db2.gz BISNHKIIFCROEJ-UHFFFAOYSA-N 0 2 409.486 3.657 20 0 HHADLN CCOc1ccc(C[C@H](CNC(=O)[C@H]2C[C@@]23CCCc2ccccc23)C(=O)OC)cc1 ZINC000439077830 983240379 /nfs/dbraw/zinc/24/03/79/983240379.db2.gz JUVUAMODMAGWGJ-ROSOWXQZSA-N 0 2 421.537 3.827 20 0 HHADLN COCCOc1ccccc1CNC(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC000439117514 983257756 /nfs/dbraw/zinc/25/77/56/983257756.db2.gz LERMLTFHRWLKSV-UHFFFAOYSA-N 0 2 409.486 3.657 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)=N1 ZINC000439127953 983263646 /nfs/dbraw/zinc/26/36/46/983263646.db2.gz CQXHUTQDGOYTBS-OAHLLOKOSA-N 0 2 417.469 3.605 20 0 HHADLN CSc1cc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)ccn1 ZINC000439251069 983332014 /nfs/dbraw/zinc/33/20/14/983332014.db2.gz NMSVIFLXGPMECW-UHFFFAOYSA-N 0 2 408.256 3.743 20 0 HHADLN O=C(Cc1cc(F)ccc1F)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439256571 983335300 /nfs/dbraw/zinc/33/53/00/983335300.db2.gz ZFRLYVYORGTWOT-UHFFFAOYSA-N 0 2 411.181 3.833 20 0 HHADLN CCn1ncc(NC(=O)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1C(F)(F)F ZINC000439838974 983554279 /nfs/dbraw/zinc/55/42/79/983554279.db2.gz FCZHGETXMIHHEV-UHFFFAOYSA-N 0 2 411.167 3.511 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)c(F)cc1F ZINC000439872713 983563860 /nfs/dbraw/zinc/56/38/60/983563860.db2.gz MJUMBKBIXMPPGD-UHFFFAOYSA-N 0 2 403.410 3.721 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c(F)cc1F ZINC000439884025 983569145 /nfs/dbraw/zinc/56/91/45/983569145.db2.gz ROUUDLVAEFRERZ-NSHDSACASA-N 0 2 401.504 3.762 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N3CCN([C@@H](C)c4ccc(Cl)cc4)CC3)c[nH]c2n1 ZINC000440277316 983704673 /nfs/dbraw/zinc/70/46/73/983704673.db2.gz YDPCCMGKZJSNAT-HNNXBMFYSA-N 0 2 410.905 3.816 20 0 HHADLN O=S(=O)(Nc1ccccc1CCC(F)(F)F)c1cnn(C2CCOCC2)c1 ZINC000440802246 983912704 /nfs/dbraw/zinc/91/27/04/983912704.db2.gz CBJPWBBVWHYNKL-UHFFFAOYSA-N 0 2 403.426 3.530 20 0 HHADLN O=S(=O)(Nc1ccc(OCC2CCCCC2)cc1)c1cnn(C2CCOCC2)c1 ZINC000440833984 983929312 /nfs/dbraw/zinc/92/93/12/983929312.db2.gz NLYRNWHEBXCIRY-UHFFFAOYSA-N 0 2 419.547 3.995 20 0 HHADLN Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)cc1 ZINC000440967120 984001977 /nfs/dbraw/zinc/00/19/77/984001977.db2.gz SGXWKNXLWZVUQE-ZBFHGGJFSA-N 0 2 400.548 3.504 20 0 HHADLN C[C@H]([C@@H](C)c1ccc(Cl)cc1)N(C)C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000441406829 984235180 /nfs/dbraw/zinc/23/51/80/984235180.db2.gz RRBZLDWXMOTCRL-VXGBXAGGSA-N 0 2 408.955 3.500 20 0 HHADLN CC1(C)CN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000441783672 984450320 /nfs/dbraw/zinc/45/03/20/984450320.db2.gz CRQCDLUDJASQBQ-UHYGZKCKSA-N 0 2 404.561 3.890 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+]=C3[O-])cc2C)cc1C(F)(F)F ZINC000442218597 984738602 /nfs/dbraw/zinc/73/86/02/984738602.db2.gz AWMVKGGRTUVYOR-UHFFFAOYSA-N 0 2 413.421 3.653 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)NCc2cccc(COCC(F)(F)F)c2)s[nH]1 ZINC000442223048 984742639 /nfs/dbraw/zinc/74/26/39/984742639.db2.gz PPXDEFIIAYNNNW-UHFFFAOYSA-N 0 2 402.442 3.658 20 0 HHADLN Cc1cc(N2CC[NH+]=C2[O-])ccc1NS(=O)(=O)c1ccc(CCC(C)C)cc1 ZINC000442236842 984757430 /nfs/dbraw/zinc/75/74/30/984757430.db2.gz FHJFIRHZAALPEC-UHFFFAOYSA-N 0 2 401.532 3.914 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000442348388 984854160 /nfs/dbraw/zinc/85/41/60/984854160.db2.gz JOCHXSPFOWDXNE-UHFFFAOYSA-N 0 2 421.368 3.744 20 0 HHADLN Cc1ccc(-c2nsc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)n2)s1 ZINC000442615060 985093643 /nfs/dbraw/zinc/09/36/43/985093643.db2.gz IXKAFEUGPCGDIL-UHFFFAOYSA-N 0 2 405.448 3.817 20 0 HHADLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)sc2C1 ZINC000442616231 985094335 /nfs/dbraw/zinc/09/43/35/985094335.db2.gz ATCXTRFGEGSLPD-CYBMUJFWSA-N 0 2 407.561 3.551 20 0 HHADLN O=S(=O)(Nc1cccc(OCc2ccccn2)c1)c1cnccc1C(F)(F)F ZINC000442825738 985230340 /nfs/dbraw/zinc/23/03/40/985230340.db2.gz IAMQMNVOUXCHMI-UHFFFAOYSA-N 0 2 409.389 3.875 20 0 HHADLN CCCC(=O)Nc1cccc(NS(=O)(=O)c2c(C)csc2C(=O)OC)c1C ZINC000442838379 985238635 /nfs/dbraw/zinc/23/86/35/985238635.db2.gz PZXYBTVLHQWNAI-UHFFFAOYSA-N 0 2 410.517 3.691 20 0 HHADLN O=S(=O)(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1cnccc1C(F)(F)F ZINC000442839885 985239955 /nfs/dbraw/zinc/23/99/55/985239955.db2.gz UYGODBJGMVWBFY-UHFFFAOYSA-N 0 2 420.319 3.889 20 0 HHADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)[C@@H](C)C1 ZINC000442901204 985269744 /nfs/dbraw/zinc/26/97/44/985269744.db2.gz NXTAGORGWVFUEQ-ZDUSSCGKSA-N 0 2 408.420 3.555 20 0 HHADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)[C@@H](C)C1 ZINC000442901204 985269756 /nfs/dbraw/zinc/26/97/56/985269756.db2.gz NXTAGORGWVFUEQ-ZDUSSCGKSA-N 0 2 408.420 3.555 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H](C)c2cccc(C)c2)c(F)c1Cl ZINC000462330520 985321187 /nfs/dbraw/zinc/32/11/87/985321187.db2.gz DOLNIYJXHDYMAP-LLVKDONJSA-N 0 2 416.877 3.967 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC(C)(C)c2nc(C)cs2)c(F)c1Cl ZINC000462352539 985341628 /nfs/dbraw/zinc/34/16/28/985341628.db2.gz IMOZNZOWIDENFC-UHFFFAOYSA-N 0 2 423.894 3.555 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2cccc3c2CN([C@@H](C)C(C)C)C3)c1 ZINC000462373927 985358110 /nfs/dbraw/zinc/35/81/10/985358110.db2.gz ZNSLTBDVGZTGPK-HNNXBMFYSA-N 0 2 402.516 3.634 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)c1 ZINC000462373927 985358121 /nfs/dbraw/zinc/35/81/21/985358121.db2.gz ZNSLTBDVGZTGPK-HNNXBMFYSA-N 0 2 402.516 3.634 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)c1 ZINC000462373927 985358134 /nfs/dbraw/zinc/35/81/34/985358134.db2.gz ZNSLTBDVGZTGPK-HNNXBMFYSA-N 0 2 402.516 3.634 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)cc1 ZINC000462382367 985365011 /nfs/dbraw/zinc/36/50/11/985365011.db2.gz ZOGUAZQGIDPAFD-OAHLLOKOSA-N 0 2 402.516 3.634 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)cc1 ZINC000462382367 985365028 /nfs/dbraw/zinc/36/50/28/985365028.db2.gz ZOGUAZQGIDPAFD-OAHLLOKOSA-N 0 2 402.516 3.634 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000443154901 985413335 /nfs/dbraw/zinc/41/33/35/985413335.db2.gz QVVLZIQBDVDZBR-UHFFFAOYSA-N 0 2 402.497 3.630 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1nnc(-c2cc3cc(C)ccc3o2)o1 ZINC000443162419 985418397 /nfs/dbraw/zinc/41/83/97/985418397.db2.gz PTZAYPYUWIIQJI-UHFFFAOYSA-N 0 2 415.427 3.609 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)CCc2ccccc2)c(F)c1Cl ZINC000462475866 985432966 /nfs/dbraw/zinc/43/29/66/985432966.db2.gz PXLZGIRXWGQJNS-NSHDSACASA-N 0 2 416.877 3.876 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CCc3cc(F)ccc32)c(F)c1Cl ZINC000462502014 985453956 /nfs/dbraw/zinc/45/39/56/985453956.db2.gz GHAKYOOBXVAPGU-ZDUSSCGKSA-N 0 2 418.824 3.682 20 0 HHADLN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)Nc2ccccc2Nc2ccccc2)c1 ZINC000467928358 985561762 /nfs/dbraw/zinc/56/17/62/985561762.db2.gz CBJSEZOMUBSNHB-UHFFFAOYSA-N 0 2 411.483 3.638 20 0 HHADLN Cc1csc(Sc2ccc(NS(=O)(=O)c3cnn([C@H]4CCOC4)c3)cc2)n1 ZINC000443455168 985623541 /nfs/dbraw/zinc/62/35/41/985623541.db2.gz MPAAEIWGDZNLNG-AWEZNQCLSA-N 0 2 422.557 3.561 20 0 HHADLN O=S(=O)(Nc1ccc(OC2CCCC2)c(Cl)c1)c1cnn([C@@H]2CCOC2)c1 ZINC000443456196 985625309 /nfs/dbraw/zinc/62/53/09/985625309.db2.gz SIYYTMLHDABFBZ-CQSZACIVSA-N 0 2 411.911 3.620 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1cc(F)c(F)c(F)c1)c1cnn([C@H]2CCOC2)c1 ZINC000443469847 985645209 /nfs/dbraw/zinc/64/52/09/985645209.db2.gz SWSUFYNUHZMDSA-ZDUSSCGKSA-N 0 2 423.416 3.730 20 0 HHADLN COc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c(C)c1 ZINC000443586230 985762082 /nfs/dbraw/zinc/76/20/82/985762082.db2.gz UFKQHFXTAMPNIW-UHFFFAOYSA-N 0 2 403.485 3.513 20 0 HHADLN O=C(COc1cccc(Cl)c1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443595620 985770870 /nfs/dbraw/zinc/77/08/70/985770870.db2.gz ZQFCILLIZRFMSP-UHFFFAOYSA-N 0 2 423.903 3.615 20 0 HHADLN COC(=O)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)c1cccs1 ZINC000443778193 985985089 /nfs/dbraw/zinc/98/50/89/985985089.db2.gz HDCJBTYVTVRLDV-LBPRGKRZSA-N 0 2 413.826 3.613 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)=N1 ZINC000443840478 986040634 /nfs/dbraw/zinc/04/06/34/986040634.db2.gz JBFZGTPMYKGRRV-GOSISDBHSA-N 0 2 407.445 3.903 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000468357443 986055474 /nfs/dbraw/zinc/05/54/74/986055474.db2.gz JPHUXFNYUWEPJE-UHFFFAOYSA-N 0 2 418.446 3.839 20 0 HHADLN CCC1(CC)Oc2ccc(NS(=O)(=O)c3cc(F)ccc3C(=O)OC)cc2O1 ZINC000468364328 986062319 /nfs/dbraw/zinc/06/23/19/986062319.db2.gz JJEYKMYSUICIQF-UHFFFAOYSA-N 0 2 409.435 3.701 20 0 HHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cncc(I)c1 ZINC000463104694 986065382 /nfs/dbraw/zinc/06/53/82/986065382.db2.gz CMCLKILFAWJTOD-UHFFFAOYSA-N 0 2 409.010 3.951 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000468367573 986066583 /nfs/dbraw/zinc/06/65/83/986066583.db2.gz NOBWANZGRKXOQO-UHFFFAOYSA-N 0 2 418.446 3.839 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)CCOc1ccc(F)cc1 ZINC000468379124 986079128 /nfs/dbraw/zinc/07/91/28/986079128.db2.gz JKJOGINZTMNJFB-CYBMUJFWSA-N 0 2 417.886 3.714 20 0 HHADLN Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c1 ZINC000463166792 986138399 /nfs/dbraw/zinc/13/83/99/986138399.db2.gz CKBOFWBDUGLFID-NSHDSACASA-N 0 2 418.284 3.844 20 0 HHADLN COc1ccc(CC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cc1OC ZINC000463175868 986148737 /nfs/dbraw/zinc/14/87/37/986148737.db2.gz XPSNMEUJCMZFMH-UHFFFAOYSA-N 0 2 407.257 3.977 20 0 HHADLN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000444031728 986227928 /nfs/dbraw/zinc/22/79/28/986227928.db2.gz NTBWQMLEHGNLDL-UHFFFAOYSA-N 0 2 400.229 3.612 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000468529081 986234457 /nfs/dbraw/zinc/23/44/57/986234457.db2.gz FOCOEFUGIORUKS-UHFFFAOYSA-N 0 2 420.462 3.924 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccc2)o1)c1ccc(OC(F)F)c(Cl)c1 ZINC000444055362 986254800 /nfs/dbraw/zinc/25/48/00/986254800.db2.gz GSJRMTASNRXONW-UHFFFAOYSA-N 0 2 401.778 3.792 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)n(-c2ccccc2C)n1 ZINC000444057904 986258946 /nfs/dbraw/zinc/25/89/46/986258946.db2.gz WBZHGKFMAZHAGX-UHFFFAOYSA-N 0 2 405.483 3.747 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(-c3ccoc3C)o2)c2ccccc12 ZINC000444061991 986263723 /nfs/dbraw/zinc/26/37/23/986263723.db2.gz GQBOOYKBZJMJJE-UHFFFAOYSA-N 0 2 412.427 3.550 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3cc4c(c(Cl)c3)O[C@@H](C)C4)o2)c(C)o1 ZINC000444062978 986265012 /nfs/dbraw/zinc/26/50/12/986265012.db2.gz CVJWEMJSXXPEND-QMMMGPOBSA-N 0 2 409.851 3.724 20 0 HHADLN Cc1occc1-c1nnc(NS(=O)(=O)c2ccc(Br)cc2Cl)o1 ZINC000444067159 986269841 /nfs/dbraw/zinc/26/98/41/986269841.db2.gz YWSMEFHQJMRQIW-UHFFFAOYSA-N 0 2 418.656 3.855 20 0 HHADLN COC(=O)c1ccc(CN(C)C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)cc1 ZINC000468615029 986329582 /nfs/dbraw/zinc/32/95/82/986329582.db2.gz ISGBNLJMHKCVDG-UHFFFAOYSA-N 0 2 407.470 3.760 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)=N1 ZINC000468699299 986412863 /nfs/dbraw/zinc/41/28/63/986412863.db2.gz HIPQLNPIKUTHJP-VGOFRKELSA-N 0 2 409.461 3.923 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCN(c3ccccc3Cl)CC2)=N1 ZINC000468736712 986450101 /nfs/dbraw/zinc/45/01/01/986450101.db2.gz WGKIPTRSGDIWCK-UHFFFAOYSA-N 0 2 414.868 3.641 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccco2)o1)c1cc(Cl)ccc1OCC1CCC1 ZINC000468860827 986569672 /nfs/dbraw/zinc/56/96/72/986569672.db2.gz GXOMKLKOHWJETM-UHFFFAOYSA-N 0 2 409.851 3.963 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC000468979084 986684567 /nfs/dbraw/zinc/68/45/67/986684567.db2.gz NQTVROZUAGJIFO-UHFFFAOYSA-N 0 2 418.418 3.540 20 0 HHADLN COc1cc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)ccc1F ZINC000468998165 986702815 /nfs/dbraw/zinc/70/28/15/986702815.db2.gz OUGPDWYWGGCWFA-UHFFFAOYSA-N 0 2 411.505 3.779 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2ncc(-c3ccc(C)cc3C)s2)cn1C ZINC000469048131 986758271 /nfs/dbraw/zinc/75/82/71/986758271.db2.gz UZPCLSIWTLDJRL-UHFFFAOYSA-N 0 2 419.528 3.743 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(C(C)C)s1 ZINC000469121236 986839361 /nfs/dbraw/zinc/83/93/61/986839361.db2.gz YRLDZBMJTFZKOV-SNVBAGLBSA-N 0 2 405.929 3.529 20 0 HHADLN C[C@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccc(O)c1 ZINC000444909335 987057353 /nfs/dbraw/zinc/05/73/53/987057353.db2.gz HGDJYSJZYVXTQT-LBPRGKRZSA-N 0 2 418.500 3.532 20 0 HHADLN COCCC[C@H](Cc1ccccc1)NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000469928443 987555636 /nfs/dbraw/zinc/55/56/36/987555636.db2.gz LQKKGRBZUSRILY-MRXNPFEDSA-N 0 2 402.545 3.848 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cc1Br ZINC000469982935 987599528 /nfs/dbraw/zinc/59/95/28/987599528.db2.gz FQUWTAJATYXZAG-UHFFFAOYSA-N 0 2 420.354 3.798 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N(CCCOc2ccccc2)C2CCOCC2)s[nH]1 ZINC000463970077 988082214 /nfs/dbraw/zinc/08/22/14/988082214.db2.gz KTLMKQGOVYHASV-UHFFFAOYSA-N 0 2 418.563 3.740 20 0 HHADLN Cc1coc(-c2ccc(C)c(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)c2)n1 ZINC000470454183 988436048 /nfs/dbraw/zinc/43/60/48/988436048.db2.gz ZVVJYUWBUKONFT-UHFFFAOYSA-N 0 2 415.446 3.783 20 0 HHADLN CSc1ccc(S(=O)(=O)Nc2cc(C)nn2C2CCOCC2)cc1Cl ZINC000464419267 988590717 /nfs/dbraw/zinc/59/07/17/988590717.db2.gz VBCLHPUDJPPYKD-UHFFFAOYSA-N 0 2 401.941 3.719 20 0 HHADLN Cc1ccsc1S(=O)(=O)Nc1ccc(Cc2nnc3n2CCCCC3)cc1 ZINC000464419314 988590860 /nfs/dbraw/zinc/59/08/60/988590860.db2.gz CZNWRBCBLYOXIY-UHFFFAOYSA-N 0 2 402.545 3.766 20 0 HHADLN COC(=O)[C@H](c1ccccc1)N(C)C(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC000470644120 988659019 /nfs/dbraw/zinc/65/90/19/988659019.db2.gz ZPSMBZLBIQYESU-NRFANRHFSA-N 0 2 407.470 3.688 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cc(F)cc(Cl)c1 ZINC000464746623 988966385 /nfs/dbraw/zinc/96/63/85/988966385.db2.gz ZYDAETZYVMFQHS-UHFFFAOYSA-N 0 2 411.867 3.989 20 0 HHADLN Cc1c2nc(NS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)sc2ccc1F ZINC000464888230 989154492 /nfs/dbraw/zinc/15/44/92/989154492.db2.gz DRBPMDCPESFGBR-UHFFFAOYSA-N 0 2 405.476 3.819 20 0 HHADLN CCCOc1ccc(Cl)cc1NS(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000471135348 989245672 /nfs/dbraw/zinc/24/56/72/989245672.db2.gz AEQJGGLHYQZDIB-UHFFFAOYSA-N 0 2 417.936 3.723 20 0 HHADLN CN1CCc2ccc(NS(=O)(=O)c3c(Cl)cccc3C(F)(F)F)cc2C1=O ZINC000471213128 989355844 /nfs/dbraw/zinc/35/58/44/989355844.db2.gz ZKKVQWONKMSTBH-UHFFFAOYSA-N 0 2 418.824 3.788 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2csc(C(=O)OC)c2)s1)c1ccccc1 ZINC000471507279 989705903 /nfs/dbraw/zinc/70/59/03/989705903.db2.gz KFGXMALJTRRNAN-ZDUSSCGKSA-N 0 2 423.541 3.729 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3cc(C)c(F)c(C)c3)s2)c1 ZINC000471511312 989709645 /nfs/dbraw/zinc/70/96/45/989709645.db2.gz HGYQDNYCNWLQJG-UHFFFAOYSA-N 0 2 407.492 3.694 20 0 HHADLN Cc1ccc(Cc2nnc(NS(=O)(=O)c3ccc4c(c3)C[C@@H](C)O4)s2)cc1 ZINC000471516939 989716025 /nfs/dbraw/zinc/71/60/25/989716025.db2.gz VINGZSOLEPDRPM-CYBMUJFWSA-N 0 2 401.513 3.562 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3ccc(Cl)cc3C)s2)c1 ZINC000471517518 989716908 /nfs/dbraw/zinc/71/69/08/989716908.db2.gz CRXSRRUXMNYPCB-UHFFFAOYSA-N 0 2 409.920 3.900 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2c(C)nn(CC)c2C)s1)c1ccccc1 ZINC000471518626 989717625 /nfs/dbraw/zinc/71/76/25/989717625.db2.gz AYUMMRVOUNIPQG-HNNXBMFYSA-N 0 2 405.549 3.714 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2ccc3c(c2)CCO3)s1)c1ccccc1 ZINC000471522228 989721657 /nfs/dbraw/zinc/72/16/57/989721657.db2.gz WEXVUUMTUHMRKF-MRXNPFEDSA-N 0 2 401.513 3.816 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3ccc(F)cc3Cl)s2)c1 ZINC000471524447 989723961 /nfs/dbraw/zinc/72/39/61/989723961.db2.gz ZQBUUJGTGVJRPW-UHFFFAOYSA-N 0 2 413.883 3.731 20 0 HHADLN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2cnn(CC(C)C)c2C(C)C)c1 ZINC000471969099 990134469 /nfs/dbraw/zinc/13/44/69/990134469.db2.gz XVRILBMOLBEATN-UHFFFAOYSA-N 0 2 411.499 3.697 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccc(Nc2nc(C)cs2)c1 ZINC000466344733 991602958 /nfs/dbraw/zinc/60/29/58/991602958.db2.gz CBLCJYRRFJKJLX-UHFFFAOYSA-N 0 2 421.475 3.922 20 0 HHADLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)s1 ZINC000466376282 991657416 /nfs/dbraw/zinc/65/74/16/991657416.db2.gz GGIWOOBECLTURH-UHFFFAOYSA-N 0 2 409.512 3.876 20 0 HHADLN Cc1nc(C)c(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)s1 ZINC000466378917 991661999 /nfs/dbraw/zinc/66/19/99/991661999.db2.gz AHNSWQQCKRFFPA-UHFFFAOYSA-N 0 2 401.485 3.886 20 0 HHADLN Cn1cc(-c2ncccc2NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cn1 ZINC000466420974 991712164 /nfs/dbraw/zinc/71/21/64/991712164.db2.gz BOEZQZYXPGWHMW-UHFFFAOYSA-N 0 2 416.812 3.955 20 0 HHADLN CCc1c(NS(=O)(=O)c2cc(C(=O)OC)cc(C)c2C)cnn1-c1ccccc1 ZINC000466475714 991767753 /nfs/dbraw/zinc/76/77/53/991767753.db2.gz UUMHQQSXXGCDBJ-UHFFFAOYSA-N 0 2 413.499 3.639 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)cnn1-c1ccccc1 ZINC000466476364 991768079 /nfs/dbraw/zinc/76/80/79/991768079.db2.gz XCEPSFHDSHXCHK-UHFFFAOYSA-N 0 2 418.906 3.847 20 0 HHADLN CCn1c2ccc(S(=O)(=O)Nc3cc(CCc4ccccc4)ccn3)cc2oc1=O ZINC000467029843 992338458 /nfs/dbraw/zinc/33/84/58/992338458.db2.gz BCOAUWAHZOLWBW-UHFFFAOYSA-N 0 2 423.494 3.595 20 0 HHADLN O=S(=O)(Nc1nc2ccsc2s1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000467033133 992342707 /nfs/dbraw/zinc/34/27/07/992342707.db2.gz AXEYXNQLPGWWHC-SNVBAGLBSA-N 0 2 414.505 3.713 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cc(F)ccc2Oc2ccccc2)cn1C ZINC000467072271 992377919 /nfs/dbraw/zinc/37/79/19/992377919.db2.gz ARERFWZMEUUOIK-UHFFFAOYSA-N 0 2 404.419 3.544 20 0 HHADLN Cc1cc(C)n(-c2cccc(NC(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)c2)n1 ZINC000467154534 992472367 /nfs/dbraw/zinc/47/23/67/992472367.db2.gz GEWAGYLIEIVJEN-UHFFFAOYSA-N 0 2 408.487 3.863 20 0 HHADLN Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000467167242 992485657 /nfs/dbraw/zinc/48/56/57/992485657.db2.gz AVLYTXGXKNPGIH-UHFFFAOYSA-N 0 2 413.503 3.964 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2cccnc2)c(C(F)(F)F)c1)c1ccoc1 ZINC000467406735 992713346 /nfs/dbraw/zinc/71/33/46/992713346.db2.gz UZOBMHFPDSNKCB-UHFFFAOYSA-N 0 2 411.361 3.747 20 0 HHADLN Cn1cc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc(F)c(C3CC3)c2)cn1 ZINC000467807187 993041052 /nfs/dbraw/zinc/04/10/52/993041052.db2.gz MMLTWJWBXWHBKA-UHFFFAOYSA-N 0 2 420.491 3.551 20 0 HHADLN Cc1ccc([C@H]2CCN(C(=O)NCc3nnc(COc4ccccc4)[nH]3)C2)c(C)c1 ZINC000472180809 993222238 /nfs/dbraw/zinc/22/22/38/993222238.db2.gz GGHYLEBPZXJKKH-SFHVURJKSA-N 0 2 405.502 3.700 20 0 HHADLN Cc1cc(-c2noc([C@H](C)NC(=O)C3=NN(c4ccccc4)CC3=O)n2)ccc1F ZINC000472386265 993381675 /nfs/dbraw/zinc/38/16/75/993381675.db2.gz VXGLOSFKDOKJKX-ZDUSSCGKSA-N 0 2 407.405 3.566 20 0 HHADLN O=S(=O)(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1ccc(F)cc1Cl ZINC000481047217 993890812 /nfs/dbraw/zinc/89/08/12/993890812.db2.gz ZSYMFGQKLPKGHJ-UHFFFAOYSA-N 0 2 401.250 3.573 20 0 HHADLN Cc1cc2[nH]ncc2cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000481312233 994129520 /nfs/dbraw/zinc/12/95/20/994129520.db2.gz WUAUSWHBEQLLOL-UHFFFAOYSA-N 0 2 406.467 3.924 20 0 HHADLN CC(C)n1cc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)cn1 ZINC000473442472 994291879 /nfs/dbraw/zinc/29/18/79/994291879.db2.gz MNNCYQBAHZWOKN-UHFFFAOYSA-N 0 2 400.291 3.757 20 0 HHADLN O=S(=O)(N[C@H](CO)c1ccc(Cl)cc1C(F)(F)F)c1c(F)cccc1F ZINC000481463650 994298073 /nfs/dbraw/zinc/29/80/73/994298073.db2.gz HUDBJRAILCFUKQ-CYBMUJFWSA-N 0 2 415.767 3.649 20 0 HHADLN Cc1ccc([C@H]2COCCN2C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)o1 ZINC000481476013 994309793 /nfs/dbraw/zinc/30/97/93/994309793.db2.gz FBFJTDMLKSVGAF-CQSZACIVSA-N 0 2 404.879 3.787 20 0 HHADLN CC(C)CC(=O)Nc1ccc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000473506777 994357136 /nfs/dbraw/zinc/35/71/36/994357136.db2.gz NYSRLQOYFQJNAS-UHFFFAOYSA-N 0 2 422.489 3.690 20 0 HHADLN COCCCC[C@H](NC(=O)C1=NN(c2ccc(OC)cc2)CC1=O)c1ccccc1 ZINC000473518417 994372536 /nfs/dbraw/zinc/37/25/36/994372536.db2.gz LVTGOJBUGPMNCO-FQEVSTJZSA-N 0 2 409.486 3.874 20 0 HHADLN CCOC(=O)C(C)(C)n1cc(NS(=O)(=O)c2ccccc2-c2ccccc2)cn1 ZINC000481573522 994410312 /nfs/dbraw/zinc/41/03/12/994410312.db2.gz QJSOKRYVYLAYEB-UHFFFAOYSA-N 0 2 413.499 3.649 20 0 HHADLN C[C@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1cc2cccc(F)c2o1 ZINC000473557382 994421749 /nfs/dbraw/zinc/42/17/49/994421749.db2.gz WZQGENUEJKUMLO-ZDUSSCGKSA-N 0 2 409.421 3.829 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(CCC(F)(F)F)cc2)cnn1-c1ccccn1 ZINC000481591624 994437924 /nfs/dbraw/zinc/43/79/24/994437924.db2.gz HTEPLVANKDIJMQ-UHFFFAOYSA-N 0 2 410.421 3.871 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1cc(C(F)(F)F)ccc1F ZINC000473668133 994556298 /nfs/dbraw/zinc/55/62/98/994556298.db2.gz YTJASYWMGGCZPO-UHFFFAOYSA-N 0 2 409.343 3.863 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)sc1Cl ZINC000473758447 994669550 /nfs/dbraw/zinc/66/95/50/994669550.db2.gz ATPVPTHHHTVNJH-UHFFFAOYSA-N 0 2 403.316 3.804 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)sc1Cl ZINC000473758731 994670543 /nfs/dbraw/zinc/67/05/43/994670543.db2.gz QNGWYEMBKLEBFQ-GHMZBOCLSA-N 0 2 421.997 3.576 20 0 HHADLN Cc1cn(C2CCCCC2)nc1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473767492 994685811 /nfs/dbraw/zinc/68/58/11/994685811.db2.gz HSFVDBJICYSTBS-UHFFFAOYSA-N 0 2 409.494 3.716 20 0 HHADLN COc1cc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)ccc1F ZINC000481840304 994694293 /nfs/dbraw/zinc/69/42/93/994694293.db2.gz DRAAAEBWIGYPEA-UHFFFAOYSA-N 0 2 417.846 3.946 20 0 HHADLN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1nnc(-c2cccs2)o1 ZINC000481845855 994700480 /nfs/dbraw/zinc/70/04/80/994700480.db2.gz WWNOWBPVFDEMET-UHFFFAOYSA-N 0 2 418.269 3.809 20 0 HHADLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2cnccc2C(F)(F)F)s1 ZINC000481856150 994713216 /nfs/dbraw/zinc/71/32/16/994713216.db2.gz NMXTZYAJDGGMEO-UHFFFAOYSA-N 0 2 418.397 3.867 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2nc3cc(F)c(C)cc3s2)cc1OC ZINC000481875278 994740566 /nfs/dbraw/zinc/74/05/66/994740566.db2.gz OCXBYMMHOIWYDY-UHFFFAOYSA-N 0 2 400.428 3.701 20 0 HHADLN O=C(NCc1ccc(C2CC2)cc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000481884337 994749477 /nfs/dbraw/zinc/74/94/77/994749477.db2.gz BYVXZNRZROUHKG-UHFFFAOYSA-N 0 2 413.524 3.751 20 0 HHADLN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(OC)c3)o2)cc1 ZINC000481884781 994750745 /nfs/dbraw/zinc/75/07/45/994750745.db2.gz XRSQOFIRGKMSGG-CQSZACIVSA-N 0 2 401.488 3.983 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000473898099 994855024 /nfs/dbraw/zinc/85/50/24/994855024.db2.gz WEGYTJOJSANJJQ-UHFFFAOYSA-N 0 2 423.492 3.834 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000473915458 994882428 /nfs/dbraw/zinc/88/24/28/994882428.db2.gz UGCUSANPZJNLAU-WOJBJXKFSA-N 0 2 405.502 3.909 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NC1(c2ccc(F)cc2)CCCC1 ZINC000473942776 994917614 /nfs/dbraw/zinc/91/76/14/994917614.db2.gz VZYHXDYEHQSVTI-UHFFFAOYSA-N 0 2 409.465 3.792 20 0 HHADLN CC[C@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1cc(F)ccc1F ZINC000474027910 995019089 /nfs/dbraw/zinc/01/90/89/995019089.db2.gz DYGFBLVAWPHYAL-KRWDZBQOSA-N 0 2 401.417 3.612 20 0 HHADLN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474056665 995044897 /nfs/dbraw/zinc/04/48/97/995044897.db2.gz ROOXQVCNSXNEGI-QKKBWIMNSA-N 0 2 409.465 3.646 20 0 HHADLN C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474056667 995045067 /nfs/dbraw/zinc/04/50/67/995045067.db2.gz ROOXQVCNSXNEGI-SPLOXXLWSA-N 0 2 409.465 3.646 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCC(Cc2cccc(F)c2)CC1 ZINC000474073981 995059300 /nfs/dbraw/zinc/05/93/00/995059300.db2.gz PGUTWWLVKLIOBW-UHFFFAOYSA-N 0 2 423.492 3.687 20 0 HHADLN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474073688 995059683 /nfs/dbraw/zinc/05/96/83/995059683.db2.gz IXYKLXWSXLDPTD-KRWDZBQOSA-N 0 2 405.502 3.894 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CC2(CCC2)c2c1cccc2F ZINC000474086167 995068934 /nfs/dbraw/zinc/06/89/34/995068934.db2.gz ASRKTKGAODWGPF-UHFFFAOYSA-N 0 2 407.449 3.674 20 0 HHADLN Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1 ZINC000474087641 995069934 /nfs/dbraw/zinc/06/99/34/995069934.db2.gz KDWFIUAUAJVFPX-ROUUACIJSA-N 0 2 405.502 3.780 20 0 HHADLN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1 ZINC000474091222 995073326 /nfs/dbraw/zinc/07/33/26/995073326.db2.gz VWGFVMCZLGHBQG-DNVCBOLYSA-N 0 2 409.465 3.816 20 0 HHADLN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474090924 995073726 /nfs/dbraw/zinc/07/37/26/995073726.db2.gz VAOHMDGTLXAVBO-WBVHZDCISA-N 0 2 409.465 3.610 20 0 HHADLN C[C@@H]1C[C@@H](c2ccccc2F)N(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1 ZINC000474091713 995074551 /nfs/dbraw/zinc/07/45/51/995074551.db2.gz ZPUZQTAKLAECKK-BEFAXECRSA-N 0 2 409.465 3.816 20 0 HHADLN COC(=O)CCOc1ccc(S(=O)(=O)Nc2cc(C3CCCCCC3)n[nH]2)cc1 ZINC000474427405 995390668 /nfs/dbraw/zinc/39/06/68/995390668.db2.gz BAVXWDNXAMQSLJ-UHFFFAOYSA-N 0 2 421.519 3.590 20 0 HHADLN CCCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)[nH]n1 ZINC000474428423 995391556 /nfs/dbraw/zinc/39/15/56/995391556.db2.gz ATXKUMDUSDXJJU-UHFFFAOYSA-N 0 2 402.451 3.554 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccc2)s1)c1cccc(OC(F)(F)F)c1 ZINC000474437118 995398774 /nfs/dbraw/zinc/39/87/74/995398774.db2.gz XVCLACSHLFHABM-UHFFFAOYSA-N 0 2 401.391 3.905 20 0 HHADLN Cc1nc(-c2cccs2)sc1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474579231 995539521 /nfs/dbraw/zinc/53/95/21/995539521.db2.gz KCCDNSJXYKRRIY-UHFFFAOYSA-N 0 2 411.512 3.807 20 0 HHADLN CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474586715 995546105 /nfs/dbraw/zinc/54/61/05/995546105.db2.gz PNDXZBJJKZUMBA-MRXNPFEDSA-N 0 2 400.866 3.511 20 0 HHADLN Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474592371 995550707 /nfs/dbraw/zinc/55/07/07/995550707.db2.gz HCFZHUHSRAMUJJ-KRWDZBQOSA-N 0 2 408.502 3.899 20 0 HHADLN CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474594554 995552536 /nfs/dbraw/zinc/55/25/36/995552536.db2.gz VWDKQGRJBQKTAH-FQEVSTJZSA-N 0 2 414.893 3.757 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000474597370 995555170 /nfs/dbraw/zinc/55/51/70/995555170.db2.gz WOBQNCQXYLCLNO-UHFFFAOYSA-N 0 2 401.470 3.674 20 0 HHADLN CCCOc1ccc(C(C)(C)NC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000474643453 995588049 /nfs/dbraw/zinc/58/80/49/995588049.db2.gz GBDVRFUHGWJJIA-UHFFFAOYSA-N 0 2 423.517 3.907 20 0 HHADLN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000474723044 995659423 /nfs/dbraw/zinc/65/94/23/995659423.db2.gz NQLVSZTYQVIIEU-MGPQQGTHSA-N 0 2 408.549 3.842 20 0 HHADLN CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000474905794 995791895 /nfs/dbraw/zinc/79/18/95/995791895.db2.gz JDRMHJRFAAHSIY-QRVBRYPASA-N 0 2 424.589 3.564 20 0 HHADLN Cn1nc2ccccc2c1C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000483064049 995949743 /nfs/dbraw/zinc/94/97/43/995949743.db2.gz RVUWVAIHUGYLMN-UHFFFAOYSA-N 0 2 415.226 3.512 20 0 HHADLN CCCN(C(=O)NCc1nnc(COc2ccccc2)[nH]1)[C@@H]1CCCc2cccnc21 ZINC000483296392 996085795 /nfs/dbraw/zinc/08/57/95/996085795.db2.gz NEXZYVRVXAATSS-LJQANCHMSA-N 0 2 420.517 3.778 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)CC(C)(C)C)cc2)nc(C)n1 ZINC000483903946 996460197 /nfs/dbraw/zinc/46/01/97/996460197.db2.gz YYLIIUMWORKQQA-CYBMUJFWSA-N 0 2 404.536 3.905 20 0 HHADLN COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000476275754 996724898 /nfs/dbraw/zinc/72/48/98/996724898.db2.gz SEZMZLBQKIFGND-UHFFFAOYSA-N 0 2 413.499 3.693 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cnn(-c4ccccc4C)c3C)s[nH]2)c1 ZINC000476313327 996748410 /nfs/dbraw/zinc/74/84/10/996748410.db2.gz DOBYTODEZQHJFC-UHFFFAOYSA-N 0 2 405.483 3.690 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cccc(-c2nc(C)cs2)c1 ZINC000484489657 996812541 /nfs/dbraw/zinc/81/25/41/996812541.db2.gz OHZXXFQTAWAUEB-UHFFFAOYSA-N 0 2 406.485 3.861 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2cc(Cl)cc(C)c2O)c1 ZINC000476380668 996821727 /nfs/dbraw/zinc/82/17/27/996821727.db2.gz UESWGNPSXNFLER-UHFFFAOYSA-N 0 2 406.685 3.926 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(C)c(C(=O)OC)c1 ZINC000476388588 996835747 /nfs/dbraw/zinc/83/57/47/996835747.db2.gz VIBBJYRMUNJOEY-UHFFFAOYSA-N 0 2 419.480 3.584 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000484513991 996844437 /nfs/dbraw/zinc/84/44/37/996844437.db2.gz LKTBNHMUBAFMMK-UHFFFAOYSA-N 0 2 402.428 3.617 20 0 HHADLN O=C(N[C@@H](c1ccccc1)C1CC1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476397873 996853559 /nfs/dbraw/zinc/85/35/59/996853559.db2.gz NMYMGBPBDNCQMG-SFHVURJKSA-N 0 2 413.524 3.825 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N(Cc1ccccc1)C1CC1 ZINC000476407290 996865780 /nfs/dbraw/zinc/86/57/80/996865780.db2.gz PJLYVHMWJAPVRT-UHFFFAOYSA-N 0 2 413.524 3.749 20 0 HHADLN CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1F ZINC000476417558 996881147 /nfs/dbraw/zinc/88/11/47/996881147.db2.gz WYROGOVSSKVUKD-UHFFFAOYSA-N 0 2 421.475 3.734 20 0 HHADLN Cc1sc(Br)cc1S(=O)(=O)Nc1nnc(-c2cccs2)o1 ZINC000476424696 996891412 /nfs/dbraw/zinc/89/14/12/996891412.db2.gz SCXQLAZGODOTTJ-UHFFFAOYSA-N 0 2 406.308 3.731 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3cccc(C(=O)CC)c3)o2)cc1 ZINC000476442716 996914986 /nfs/dbraw/zinc/91/49/86/996914986.db2.gz LMGGCSXTBJBOFZ-UHFFFAOYSA-N 0 2 401.444 3.529 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000484613788 996946609 /nfs/dbraw/zinc/94/66/09/996946609.db2.gz BVXBIRPMFQUUSK-UHFFFAOYSA-N 0 2 406.485 3.861 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000484646310 996981760 /nfs/dbraw/zinc/98/17/60/996981760.db2.gz UNRQSHZNGBFJSU-UHFFFAOYSA-N 0 2 402.428 3.617 20 0 HHADLN O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476540762 997032625 /nfs/dbraw/zinc/03/26/25/997032625.db2.gz FZIKIRAXZKQESJ-UHFFFAOYSA-N 0 2 413.402 3.614 20 0 HHADLN C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H](C)c1ccccc1 ZINC000476682250 997222605 /nfs/dbraw/zinc/22/26/05/997222605.db2.gz BAFBYTMHJWJIQK-CABCVRRESA-N 0 2 415.540 3.866 20 0 HHADLN O=C(N[C@@H]1CCc2c1cccc2F)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476719315 997265278 /nfs/dbraw/zinc/26/52/78/997265278.db2.gz QYMNEZKSGBIEQS-QGZVFWFLSA-N 0 2 417.487 3.500 20 0 HHADLN CCC[C@@]1(C)CCCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000476728891 997279028 /nfs/dbraw/zinc/27/90/28/997279028.db2.gz RDUDGTSMEWNWDQ-IBGZPJMESA-N 0 2 407.561 3.986 20 0 HHADLN CC[C@@H](C)[C@@H](C)N(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC1 ZINC000476749524 997304681 /nfs/dbraw/zinc/30/46/81/997304681.db2.gz VASFDMPCWWXJLR-ZIAGYGMSSA-N 0 2 407.561 3.983 20 0 HHADLN C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccccc1 ZINC000485004112 997368368 /nfs/dbraw/zinc/36/83/68/997368368.db2.gz UXPUBWUPPNFIFR-CYBMUJFWSA-N 0 2 402.501 3.827 20 0 HHADLN O=C(NCc1ccccc1Cl)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485012234 997376562 /nfs/dbraw/zinc/37/65/62/997376562.db2.gz LGEVBGBIWVNELB-UHFFFAOYSA-N 0 2 422.919 3.919 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc(-c3ncc[nH]3)cc2)cc1Cl ZINC000476922710 997534093 /nfs/dbraw/zinc/53/40/93/997534093.db2.gz SCYFFKURJMGBOU-UHFFFAOYSA-N 0 2 408.842 3.628 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cc(Br)c(F)cc2F)cc1OC ZINC000485176708 997558030 /nfs/dbraw/zinc/55/80/30/997558030.db2.gz XRUVOBOLMUXTER-UHFFFAOYSA-N 0 2 422.247 3.935 20 0 HHADLN O=S(=O)(Nc1cccc(Cl)c1N1CCOCC1)c1cc(F)ccc1Cl ZINC000485357870 997782295 /nfs/dbraw/zinc/78/22/95/997782295.db2.gz ZCSHZXCYTBICNN-UHFFFAOYSA-N 0 2 405.278 3.770 20 0 HHADLN CC[C@@]1(C)CCCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000485360511 997784882 /nfs/dbraw/zinc/78/48/82/997784882.db2.gz SPNGXTDMQUWKTA-SFHVURJKSA-N 0 2 408.549 3.988 20 0 HHADLN C[C@H](c1ccncc1)N(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485360179 997784981 /nfs/dbraw/zinc/78/49/81/997784981.db2.gz QDJNQOXYCSABTO-CYBMUJFWSA-N 0 2 417.516 3.564 20 0 HHADLN CCSCC[C@H](C)NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485372543 997799038 /nfs/dbraw/zinc/79/90/38/997799038.db2.gz SNRRJXHRJXIKKI-LBPRGKRZSA-N 0 2 414.578 3.597 20 0 HHADLN O=C(Nc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1)C1CC1 ZINC000485375412 997802346 /nfs/dbraw/zinc/80/23/46/997802346.db2.gz FISPUNYWNAESIP-UHFFFAOYSA-N 0 2 402.369 3.994 20 0 HHADLN CC[C@@H](C)[C@H](OC)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C ZINC000477155489 997815146 /nfs/dbraw/zinc/81/51/46/997815146.db2.gz YWRWXEDPNNMEBH-YJYMSZOUSA-N 0 2 408.495 3.935 20 0 HHADLN Cc1noc2ncc(NS(=O)(=O)c3cc(Cl)ccc3Br)cc12 ZINC000485396530 997825523 /nfs/dbraw/zinc/82/55/23/997825523.db2.gz MCHHECXBSNENMF-UHFFFAOYSA-N 0 2 402.657 3.748 20 0 HHADLN O=C(Cc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485489055 997941822 /nfs/dbraw/zinc/94/18/22/997941822.db2.gz IUBVDEWGININHD-UHFFFAOYSA-N 0 2 407.904 3.779 20 0 HHADLN CC[C@H](OC1CCCC1)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485489965 997942456 /nfs/dbraw/zinc/94/24/56/997942456.db2.gz MPHPHAXXXJFIOK-INIZCTEOSA-N 0 2 409.533 3.620 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N(C)Cc3ccc(F)cc3Br)c[nH]c2n1 ZINC000485494534 997948630 /nfs/dbraw/zinc/94/86/30/997948630.db2.gz SHHZRTJGHGZJOM-UHFFFAOYSA-N 0 2 404.239 3.818 20 0 HHADLN Cc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c(C)c1 ZINC000485501369 997956508 /nfs/dbraw/zinc/95/65/08/997956508.db2.gz KRZHTFPUSHLVRU-UHFFFAOYSA-N 0 2 417.512 3.578 20 0 HHADLN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000477473971 998192910 /nfs/dbraw/zinc/19/29/10/998192910.db2.gz UQILEPVNEXNWBM-MRVPVSSYSA-N 0 2 404.462 3.516 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC(c3nc4ccccc4s3)C2)=N1 ZINC000477698128 998415006 /nfs/dbraw/zinc/41/50/06/998415006.db2.gz FNTULVGOORFTGI-UHFFFAOYSA-N 0 2 408.458 3.875 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccc(Cl)c1F ZINC000477724267 998452277 /nfs/dbraw/zinc/45/22/77/998452277.db2.gz YHEZPURZMRAXBK-UHFFFAOYSA-N 0 2 411.867 3.989 20 0 HHADLN CN(CCCc1cc(-c2ccccc2)no1)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000486044403 998493646 /nfs/dbraw/zinc/49/36/46/998493646.db2.gz ZCFZCMQGKFUWCQ-UHFFFAOYSA-N 0 2 402.454 3.938 20 0 HHADLN CC(C)c1c(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cnn1-c1ccccc1 ZINC000486097075 998545520 /nfs/dbraw/zinc/54/55/20/998545520.db2.gz PJLIDWQLXIEDNY-UHFFFAOYSA-N 0 2 407.499 3.982 20 0 HHADLN CCn1c2ccc(S(=O)(=O)Nc3cnn(CCC(C)C)c3C(C)C)cc2oc1=O ZINC000486099226 998546902 /nfs/dbraw/zinc/54/69/02/998546902.db2.gz SUXGVKGSWMQIBH-UHFFFAOYSA-N 0 2 420.535 3.781 20 0 HHADLN COCCN(Cc1ccc(F)cc1Cl)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000486303773 998703349 /nfs/dbraw/zinc/70/33/49/998703349.db2.gz KKDAXAYMTAVYCI-UHFFFAOYSA-N 0 2 403.841 3.659 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)c1 ZINC000486545111 998817870 /nfs/dbraw/zinc/81/78/70/998817870.db2.gz AFAGAYOULLJEHP-UHFFFAOYSA-N 0 2 413.908 3.620 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000486550725 998821152 /nfs/dbraw/zinc/82/11/52/998821152.db2.gz QHLUFHYTTJTLFJ-UHFFFAOYSA-N 0 2 416.311 3.743 20 0 HHADLN Cn1nc(-c2cccc(C(F)(F)F)c2)cc1NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000486570947 998833514 /nfs/dbraw/zinc/83/35/14/998833514.db2.gz AQJXHSRNHQIHPB-UHFFFAOYSA-N 0 2 423.416 3.937 20 0 HHADLN CC(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)nc1 ZINC000486581576 998839653 /nfs/dbraw/zinc/83/96/53/998839653.db2.gz NAWDHKJUQBLRTF-UHFFFAOYSA-N 0 2 402.501 3.715 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2[nH]nc(-c3ccccc3)c2C)c1 ZINC000486842152 998967379 /nfs/dbraw/zinc/96/73/79/998967379.db2.gz ZOQTUFWLPYIJLA-UHFFFAOYSA-N 0 2 403.435 3.502 20 0 HHADLN Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000478462274 998972960 /nfs/dbraw/zinc/97/29/60/998972960.db2.gz SEXJYTRGGPCYJM-UHFFFAOYSA-N 0 2 412.877 3.559 20 0 HHADLN CCc1ccccc1NC(=O)CN(C)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000478464975 998974282 /nfs/dbraw/zinc/97/42/82/998974282.db2.gz ZKBKBXZSEYHHBQ-UHFFFAOYSA-N 0 2 412.877 3.504 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1-n1cnnn1 ZINC000486870859 998982929 /nfs/dbraw/zinc/98/29/29/998982929.db2.gz UJXLUOIOOVATDO-UHFFFAOYSA-N 0 2 418.693 3.732 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C)Cc2nc(-c3ccccc3)c[nH]2)=N1 ZINC000478503397 998998100 /nfs/dbraw/zinc/99/81/00/998998100.db2.gz WJOLTNYCKYQEGR-UHFFFAOYSA-N 0 2 405.433 3.688 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NCc3ccc(NC(=O)N(C)C)cc3)=N2)cc1 ZINC000478561115 999025284 /nfs/dbraw/zinc/02/52/84/999025284.db2.gz OUDFOBRAQOKZMK-UHFFFAOYSA-N 0 2 421.501 3.725 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3c[nH]nc3-c3ccc(Cl)cc3)s[nH]2)c1 ZINC000478650043 999064854 /nfs/dbraw/zinc/06/48/54/999064854.db2.gz OLYPGWIWOCNBCN-UHFFFAOYSA-N 0 2 411.874 3.931 20 0 HHADLN CC[C@@H](C)c1nnc([C@H](C)NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)[nH]1 ZINC000487196032 999093950 /nfs/dbraw/zinc/09/39/50/999093950.db2.gz GXFYVUZDOZTCQA-ZJUUUORDSA-N 0 2 405.915 3.795 20 0 HHADLN COc1ccc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)cc1NC(N)=O ZINC000487368208 999149578 /nfs/dbraw/zinc/14/95/78/999149578.db2.gz ZIQLBEJPFPKRSB-UHFFFAOYSA-N 0 2 404.275 3.602 20 0 HHADLN COC(=O)c1ccnc(NS(=O)(=O)c2ccc3cc(Br)ccc3c2)c1 ZINC000479088606 999288484 /nfs/dbraw/zinc/28/84/84/999288484.db2.gz FKQLXMIFJNDENL-UHFFFAOYSA-N 0 2 421.272 3.585 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cn1 ZINC000479161193 999302953 /nfs/dbraw/zinc/30/29/53/999302953.db2.gz QYIYETJCNPZHIR-UHFFFAOYSA-N 0 2 414.871 3.592 20 0 HHADLN Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000479161241 999302980 /nfs/dbraw/zinc/30/29/80/999302980.db2.gz UDZXWIBKMYGMKH-UHFFFAOYSA-N 0 2 422.572 3.704 20 0 HHADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1nccc(-c2ccco2)n1 ZINC000479167082 999306527 /nfs/dbraw/zinc/30/65/27/999306527.db2.gz QKDKWSBYBJHMCO-UHFFFAOYSA-N 0 2 424.276 3.617 20 0 HHADLN O=C1Nc2ccc(S(=O)(=O)Nc3nnc(/C=C/c4ccco4)s3)c3cccc1c23 ZINC000479210297 999327274 /nfs/dbraw/zinc/32/72/74/999327274.db2.gz AWXPMWDWOHWFFO-RMKNXTFCSA-N 0 2 424.463 3.821 20 0 HHADLN CC(C)C[C@H](C)n1nccc1NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000479256066 999350301 /nfs/dbraw/zinc/35/03/01/999350301.db2.gz XPYHABHAYBNSBH-HNNXBMFYSA-N 0 2 422.526 3.666 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c(C)c1 ZINC000479256656 999350646 /nfs/dbraw/zinc/35/06/46/999350646.db2.gz HCUBYTXXSXZTMA-UHFFFAOYSA-N 0 2 411.483 3.646 20 0 HHADLN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2nnc(C=Cc3ccco3)s2)cc1 ZINC000479272608 999358547 /nfs/dbraw/zinc/35/85/47/999358547.db2.gz BPNJEDGIZMDSRP-YFHOEESVSA-N 0 2 403.485 3.941 20 0 HHADLN CCCN(C(=O)C1=NN(c2ccc(OC)cc2)CC1=O)[C@@H]1CCCc2cccnc21 ZINC000479348405 999397281 /nfs/dbraw/zinc/39/72/81/999397281.db2.gz MYLQCZMGUNRIPR-LJQANCHMSA-N 0 2 406.486 3.911 20 0 HHADLN CCCN(C(=O)C1=NN(c2ccc(OC)cc2)CC1=O)[C@H]1CCCc2cccnc21 ZINC000479348404 999397362 /nfs/dbraw/zinc/39/73/62/999397362.db2.gz MYLQCZMGUNRIPR-IBGZPJMESA-N 0 2 406.486 3.911 20 0 HHADLN CCCC(=O)Nc1cccc(NS(=O)(=O)c2c(OC)cc(OC)cc2OC)c1C ZINC000488259509 999413860 /nfs/dbraw/zinc/41/38/60/999413860.db2.gz GVYIUTAQMSOIPT-UHFFFAOYSA-N 0 2 422.503 3.560 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000479480367 999435712 /nfs/dbraw/zinc/43/57/12/999435712.db2.gz MAEQKAGDQXYECT-UHFFFAOYSA-N 0 2 424.954 3.554 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(Cl)c(Br)c1 ZINC000479481404 999436615 /nfs/dbraw/zinc/43/66/15/999436615.db2.gz HFHZTTJRUWYGMV-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN Cc1nc(-c2cccc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)c2)cs1 ZINC000479489632 999440798 /nfs/dbraw/zinc/44/07/98/999440798.db2.gz QSVVRIWQQSUREC-UHFFFAOYSA-N 0 2 402.423 3.678 20 0 HHADLN Cc1cccc(F)c1S(=O)(=O)Nc1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000479491231 999441965 /nfs/dbraw/zinc/44/19/65/999441965.db2.gz VQSMTLXLWZXCIV-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN O=C(c1ccccc1)c1ccccc1S(=O)(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000479502348 999447245 /nfs/dbraw/zinc/44/72/45/999447245.db2.gz YFZWERIDCUHVJY-GOSISDBHSA-N 0 2 423.490 3.886 20 0 HHADLN COc1cc(OC)c(NS(=O)(=O)c2cccc3cccnc32)cc1Br ZINC000488371439 999462164 /nfs/dbraw/zinc/46/21/64/999462164.db2.gz TVBPMMOHBDVRTK-UHFFFAOYSA-N 0 2 423.288 3.815 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc2c1OCCC2 ZINC000479531290 999463931 /nfs/dbraw/zinc/46/39/31/999463931.db2.gz WZHARMLBKNHVBJ-UHFFFAOYSA-N 0 2 411.907 3.881 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)c(OC(F)F)c1)c1cnn(CC(F)(F)F)c1 ZINC000479565828 999480380 /nfs/dbraw/zinc/48/03/80/999480380.db2.gz JOPBDFWPAGWVNH-UHFFFAOYSA-N 0 2 405.732 3.501 20 0 HHADLN CC(=O)c1cccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c1 ZINC000488420790 999482188 /nfs/dbraw/zinc/48/21/88/999482188.db2.gz MEPPVXLGUZGIMB-UHFFFAOYSA-N 0 2 407.904 3.786 20 0 HHADLN O=S(=O)(Nc1cnc2c(c1)CCCC2)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000488428271 999484462 /nfs/dbraw/zinc/48/44/62/999484462.db2.gz VZNBKXSKWYGADB-CQSZACIVSA-N 0 2 422.934 3.830 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1 ZINC000488432418 999485693 /nfs/dbraw/zinc/48/56/93/999485693.db2.gz INMXNAJKVBQQCU-UHFFFAOYSA-N 0 2 409.920 3.982 20 0 HHADLN COCc1cccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c1 ZINC000488434326 999486040 /nfs/dbraw/zinc/48/60/40/999486040.db2.gz LHKMNMODPOOSMC-UHFFFAOYSA-N 0 2 409.920 3.730 20 0 HHADLN O=S(=O)(Nc1ccc2nnc(C3CCC3)n2c1)c1ccc(Br)s1 ZINC000488467384 999496540 /nfs/dbraw/zinc/49/65/40/999496540.db2.gz WFEJMZSGORDRIK-UHFFFAOYSA-N 0 2 413.322 3.622 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccnc(-c3ccccc3)c2)c(OC)c1 ZINC000488561154 999528074 /nfs/dbraw/zinc/52/80/74/999528074.db2.gz FRLUFBCPINSROF-UHFFFAOYSA-N 0 2 400.456 3.575 20 0 HHADLN CC(C)c1nnc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)s1 ZINC000488577047 999533493 /nfs/dbraw/zinc/53/34/93/999533493.db2.gz KSCDOKUPEWHOAY-NSHDSACASA-N 0 2 417.940 3.531 20 0 HHADLN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)Nc1ccc(F)cc1OC1CCOCC1 ZINC000488686320 999572302 /nfs/dbraw/zinc/57/23/02/999572302.db2.gz WLGDPWBTIJSOHD-ZWKOTPCHSA-N 0 2 421.513 3.637 20 0 HHADLN Cc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4c(F)cccc4F)n[nH]3)cc2F)n1 ZINC000479769860 999581991 /nfs/dbraw/zinc/58/19/91/999581991.db2.gz RQCYRMZEVHLAFQ-UHFFFAOYSA-N 0 2 412.375 3.944 20 0 HHADLN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000479777211 999586324 /nfs/dbraw/zinc/58/63/24/999586324.db2.gz OHMFAVVRNJMTBF-NJAFHUGGSA-N 0 2 411.502 3.693 20 0 HHADLN Cc1ccc(Br)cc1S(=O)(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000479997517 999680495 /nfs/dbraw/zinc/68/04/95/999680495.db2.gz WSHDBLNTJUSSKH-UHFFFAOYSA-N 0 2 416.244 3.515 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 ZINC000480005050 999683148 /nfs/dbraw/zinc/68/31/48/999683148.db2.gz WAJQDWNYFGSLJE-UHFFFAOYSA-N 0 2 423.903 3.836 20 0 HHADLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1c(Cl)cccc1Oc1ccccc1Cl ZINC000480034614 999695429 /nfs/dbraw/zinc/69/54/29/999695429.db2.gz HKURRGIYDOCBHC-UHFFFAOYSA-N 0 2 407.257 3.972 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)c(F)c1 ZINC000480177515 999737284 /nfs/dbraw/zinc/73/72/84/999737284.db2.gz FTRPHWPZIIAZLL-UHFFFAOYSA-N 0 2 400.431 3.887 20 0 HHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)s1 ZINC000480203973 999744386 /nfs/dbraw/zinc/74/43/86/999744386.db2.gz WZGBNZAQPLMBSL-UHFFFAOYSA-N 0 2 416.572 3.975 20 0 HHADLN CCc1c(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)cnn1-c1ccccc1C ZINC000480230303 999751344 /nfs/dbraw/zinc/75/13/44/999751344.db2.gz QRKKICZCGZTFFB-UHFFFAOYSA-N 0 2 413.499 3.639 20 0 HHADLN CN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)c1 ZINC000480233214 999752151 /nfs/dbraw/zinc/75/21/51/999752151.db2.gz PZZAVAKZUURTAW-AWEZNQCLSA-N 0 2 421.588 3.797 20 0 HHADLN CCc1c(NS(=O)(=O)c2c(OC)cc(OC)cc2OC)cnn1C(CC)CC ZINC000480253828 999757079 /nfs/dbraw/zinc/75/70/79/999757079.db2.gz WYHVGZJIXKRHEQ-UHFFFAOYSA-N 0 2 411.524 3.633 20 0 HHADLN CN(C(=O)C1=NN(c2ccccc2)CC1=O)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000480426398 999796150 /nfs/dbraw/zinc/79/61/50/999796150.db2.gz NDZWJHYTQGNZEJ-VQIMIIECSA-N 0 2 418.280 3.615 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](C)c3nccn3-c3ccccc3)s[nH]2)c1 ZINC000480703158 999863665 /nfs/dbraw/zinc/86/36/65/999863665.db2.gz OENWSXAOTUYCFQ-CQSZACIVSA-N 0 2 420.498 3.704 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N(C)Cc3ccc([S@@](C)=O)cc3)=N2)cc1 ZINC000490026937 999880450 /nfs/dbraw/zinc/88/04/50/999880450.db2.gz PYNQJUYMTQLWMM-GDLZYMKVSA-N 0 2 411.527 3.711 20 0 HHADLN CCSc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)c1 ZINC000490059673 999887117 /nfs/dbraw/zinc/88/71/17/999887117.db2.gz NYSSPXNXQXWFFH-UHFFFAOYSA-N 0 2 420.541 3.703 20 0 HHADLN CCNC(=O)Nc1ccc(C)c(NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000490306808 999932969 /nfs/dbraw/zinc/93/29/69/999932969.db2.gz JCWWBAQBEMCXBU-UHFFFAOYSA-N 0 2 414.491 3.511 20 0 HHADLN Cn1cc(NS(=O)(=O)c2cccc(Cl)c2Br)c(C(F)(F)F)n1 ZINC000491549066 1000082902 /nfs/dbraw/zinc/08/29/02/1000082902.db2.gz UTRHNMHRNJCBCS-UHFFFAOYSA-N 0 2 418.622 3.656 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c(-c3ccccc3)nc2c1)c1cnn(C2CCOCC2)c1 ZINC000491583190 1000085989 /nfs/dbraw/zinc/08/59/89/1000085989.db2.gz HBLPUMYHGJUCLI-UHFFFAOYSA-N 0 2 423.498 3.579 20 0 HHADLN COC(=O)c1cc(C)ccc1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000491596452 1000087742 /nfs/dbraw/zinc/08/77/42/1000087742.db2.gz KMPVWYISEVPPKP-UHFFFAOYSA-N 0 2 418.696 3.998 20 0 HHADLN COc1ccc(OC)c(NS(=O)(=O)c2cccc(Cl)c2Br)c1 ZINC000491610161 1000090274 /nfs/dbraw/zinc/09/02/74/1000090274.db2.gz OBODGSYXLUIWIW-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cnn1CCC(C)C ZINC000491831511 1000096428 /nfs/dbraw/zinc/09/64/28/1000096428.db2.gz IXERTJRYNDDNQU-HNNXBMFYSA-N 0 2 418.563 3.590 20 0 HHADLN CC(C)c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n(-c2ncccn2)n1 ZINC000492068481 1000108030 /nfs/dbraw/zinc/10/80/30/1000108030.db2.gz NQMOMVWJKGKHOA-UHFFFAOYSA-N 0 2 411.409 3.605 20 0 HHADLN O=C(CCc1ccc(Cl)cc1)Nc1nnc(NS(=O)(=O)c2ccccc2)s1 ZINC000492169221 1000113186 /nfs/dbraw/zinc/11/31/86/1000113186.db2.gz PLLKZAJXTPVLHM-UHFFFAOYSA-N 0 2 422.919 3.564 20 0 HHADLN CN(C)c1cccc(S(=O)(=O)Nc2nnc(SCc3cccs3)s2)c1 ZINC000493107308 1000157978 /nfs/dbraw/zinc/15/79/78/1000157978.db2.gz RDPPLLPTODLGPY-UHFFFAOYSA-N 0 2 412.587 3.759 20 0 HHADLN O=S(=O)(Nc1cccc(CN2CCOCC2)n1)c1ccc(Cl)c2ccccc21 ZINC000504508128 1000240323 /nfs/dbraw/zinc/24/03/23/1000240323.db2.gz RFFLWYNIVJQMIX-UHFFFAOYSA-N 0 2 417.918 3.521 20 0 HHADLN CCCc1csc(NS(=O)(=O)c2cc(Br)c(OC)cc2OC)n1 ZINC000504525594 1000250777 /nfs/dbraw/zinc/25/07/77/1000250777.db2.gz ZTXIIULYTCETOO-UHFFFAOYSA-N 0 2 421.338 3.676 20 0 HHADLN COc1cc(C)sc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000504571095 1000274869 /nfs/dbraw/zinc/27/48/69/1000274869.db2.gz QYTUAJSVGQFSQF-UHFFFAOYSA-N 0 2 409.514 3.575 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000504673335 1000320183 /nfs/dbraw/zinc/32/01/83/1000320183.db2.gz LVDJIHZVWRTQEZ-INIZCTEOSA-N 0 2 417.498 3.781 20 0 HHADLN CC(C)c1cccnc1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000504836286 1000394090 /nfs/dbraw/zinc/39/40/90/1000394090.db2.gz CMWRSADOKLABMO-UHFFFAOYSA-N 0 2 402.501 3.715 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1nc2cccnc2s1 ZINC000504955460 1000470478 /nfs/dbraw/zinc/47/04/78/1000470478.db2.gz MKVLLGUOYNQAIR-MRXNPFEDSA-N 0 2 421.526 3.544 20 0 HHADLN O=C(CN1CCCCCC1=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000505175686 1000597797 /nfs/dbraw/zinc/59/77/97/1000597797.db2.gz BLMKMJUHMOGJAG-UHFFFAOYSA-N 0 2 422.510 3.760 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NCCc2nc3cc(Cl)ccc3s2)cn1 ZINC000494898291 1000719162 /nfs/dbraw/zinc/71/91/62/1000719162.db2.gz QEYJZEVXPAWUPJ-UHFFFAOYSA-N 0 2 400.895 3.529 20 0 HHADLN O=C(N[C@H](CO)c1ccsc1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000505590790 1000924140 /nfs/dbraw/zinc/92/41/40/1000924140.db2.gz KAJYFUGXBFBPRO-HXUWFJFHSA-N 0 2 406.463 3.845 20 0 HHADLN NC(=O)c1cccc(C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)c1 ZINC000505748513 1001004938 /nfs/dbraw/zinc/00/49/38/1001004938.db2.gz XKKQJXDPQYDIOD-UHFFFAOYSA-N 0 2 416.462 3.771 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000506197225 1001273157 /nfs/dbraw/zinc/27/31/57/1001273157.db2.gz UKRSSCQMBZYYBE-OAHLLOKOSA-N 0 2 401.825 3.664 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cccc(C(C)=O)c1 ZINC000506552203 1001457644 /nfs/dbraw/zinc/45/76/44/1001457644.db2.gz CROAFJWKAMETEO-UHFFFAOYSA-N 0 2 402.255 3.783 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000506804015 1001538752 /nfs/dbraw/zinc/53/87/52/1001538752.db2.gz IYHPZCCBSCSZEA-UHFFFAOYSA-N 0 2 410.904 3.856 20 0 HHADLN Cc1cc(C)nc(-n2nccc2NS(=O)(=O)c2cccc(-c3ccccc3)c2)n1 ZINC000506807287 1001540781 /nfs/dbraw/zinc/54/07/81/1001540781.db2.gz SYFBOLYHPNNFJF-UHFFFAOYSA-N 0 2 405.483 3.747 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2nnc(-c3ccco3)s2)c1 ZINC000497862852 1001540904 /nfs/dbraw/zinc/54/09/04/1001540904.db2.gz NPAZBGAXUAFHKQ-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN O=C(CCc1ccc(F)cc1F)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000506833979 1001556276 /nfs/dbraw/zinc/55/62/76/1001556276.db2.gz UCYPKBVIETVXCL-UHFFFAOYSA-N 0 2 423.466 3.793 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2cnccc2-c2cccc(F)c2)c1 ZINC000506848052 1001563022 /nfs/dbraw/zinc/56/30/22/1001563022.db2.gz FIOFJILKLGTVAT-UHFFFAOYSA-N 0 2 402.447 3.844 20 0 HHADLN O=C(N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)c1cnn2ccncc12 ZINC000497999949 1001598067 /nfs/dbraw/zinc/59/80/67/1001598067.db2.gz CVWDNCSZVWSCIS-UHFFFAOYSA-N 0 2 414.450 3.714 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c1 ZINC000498014289 1001604813 /nfs/dbraw/zinc/60/48/13/1001604813.db2.gz YGFZHAURDBTTKO-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN COc1cc(OC)c(NS(=O)(=O)c2cc(C)ccc2Br)cc1F ZINC000498015050 1001605467 /nfs/dbraw/zinc/60/54/67/1001605467.db2.gz HCXZGMFQCATYIE-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN COc1cc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)cc(S(C)(=O)=O)c1 ZINC000507584754 1002190060 /nfs/dbraw/zinc/19/00/60/1002190060.db2.gz PXJRXDPJSQSJSJ-UHFFFAOYSA-N 0 2 424.327 3.515 20 0 HHADLN O=S(=O)(Nc1cc(F)c(F)cc1N1CCOCC1)c1c(Cl)cccc1Cl ZINC000507630183 1002232852 /nfs/dbraw/zinc/23/28/52/1002232852.db2.gz OJKOMMAJPZXMFO-UHFFFAOYSA-N 0 2 423.268 3.909 20 0 HHADLN CC[C@H]1CN(C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)CCN1CC(F)F ZINC000498854155 1002238244 /nfs/dbraw/zinc/23/82/44/1002238244.db2.gz BNZQHBBZVXOOEF-INIZCTEOSA-N 0 2 406.477 3.503 20 0 HHADLN O=S(=O)(Nc1cc(F)c(Br)c(Cl)c1)c1cccc2c1OCCO2 ZINC000507644542 1002245374 /nfs/dbraw/zinc/24/53/74/1002245374.db2.gz MKINAOKIDOWVFV-UHFFFAOYSA-N 0 2 422.659 3.814 20 0 HHADLN Cc1noc2ncc(S(=O)(=O)Nc3cc(F)c(Br)c(Cl)c3)cc12 ZINC000507644766 1002245578 /nfs/dbraw/zinc/24/55/78/1002245578.db2.gz NNJCGGVLRZEHLA-UHFFFAOYSA-N 0 2 420.647 3.887 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc2c(cc1C)OCO2 ZINC000507879291 1002411226 /nfs/dbraw/zinc/41/12/26/1002411226.db2.gz QVEHDMBAZZKDOK-UHFFFAOYSA-N 0 2 418.254 3.618 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)COc3cccc(OCC(C)C)c3)s[nH]2)c1 ZINC000507897798 1002430999 /nfs/dbraw/zinc/43/09/99/1002430999.db2.gz WQEAJTNGJVQCFS-UHFFFAOYSA-N 0 2 413.499 3.688 20 0 HHADLN C[C@H](Cc1ccc(Br)cc1)C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000499106768 1002499144 /nfs/dbraw/zinc/49/91/44/1002499144.db2.gz OARCBLVFGVCBLE-LLVKDONJSA-N 0 2 403.305 3.602 20 0 HHADLN Cc1cn(-c2ccccc2Cl)nc1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000499137753 1002522485 /nfs/dbraw/zinc/52/24/85/1002522485.db2.gz UNFWJGLKZSKZCC-UHFFFAOYSA-N 0 2 413.890 3.817 20 0 HHADLN CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)ccc1C ZINC000499193757 1002582881 /nfs/dbraw/zinc/58/28/81/1002582881.db2.gz QLNMWMKKLQODKS-UHFFFAOYSA-N 0 2 417.512 3.903 20 0 HHADLN CCC(=O)c1cccc(S(=O)(=O)Nc2nnc(-c3cccc(OC(F)F)c3)o2)c1 ZINC000508084092 1002605966 /nfs/dbraw/zinc/60/59/66/1002605966.db2.gz MLWTXBIVCNILKO-UHFFFAOYSA-N 0 2 423.397 3.732 20 0 HHADLN COC(=O)c1csc(S(=O)(=O)Nc2nc3c(s2)c(Cl)ccc3C)c1 ZINC000508086271 1002608257 /nfs/dbraw/zinc/60/82/57/1002608257.db2.gz BPJGTKYBVGSSNJ-UHFFFAOYSA-N 0 2 402.906 3.907 20 0 HHADLN O=C1Nc2ccc(S(=O)(=O)Nc3ncc(-c4ccccn4)s3)c3cccc1c23 ZINC000508095680 1002620813 /nfs/dbraw/zinc/62/08/13/1002620813.db2.gz OHDXHIHHAKIUKK-UHFFFAOYSA-N 0 2 408.464 3.725 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2ncc(-c3cccnc3)s2)cc1OCC ZINC000508098123 1002623099 /nfs/dbraw/zinc/62/30/99/1002623099.db2.gz VVSYSZLKRSVEIT-UHFFFAOYSA-N 0 2 405.501 3.803 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)o2)cc1C ZINC000508110006 1002636842 /nfs/dbraw/zinc/63/68/42/1002636842.db2.gz BQYYQEOPFGXAJH-UHFFFAOYSA-N 0 2 424.276 3.617 20 0 HHADLN CCOc1cccc(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)o2)c1 ZINC000508110984 1002637729 /nfs/dbraw/zinc/63/77/29/1002637729.db2.gz SLRHXUCHTMBLRE-UHFFFAOYSA-N 0 2 424.276 3.699 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(Br)c2)o1)c1ccccc1Cl ZINC000508127247 1002657301 /nfs/dbraw/zinc/65/73/01/1002657301.db2.gz XYKHWXXLHJHIQJ-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN O=S(=O)(Nc1nnc([C@H]2COc3ccccc3O2)o1)c1csc2ccccc21 ZINC000508180672 1002715897 /nfs/dbraw/zinc/71/58/97/1002715897.db2.gz NDRLVFAYSLEPKD-CQSZACIVSA-N 0 2 415.452 3.598 20 0 HHADLN CN(C)c1cccc(-c2nnc(NS(=O)(=O)c3csc4ccccc43)o2)c1 ZINC000508214763 1002745877 /nfs/dbraw/zinc/74/58/77/1002745877.db2.gz MTJIHWJXISIEEB-UHFFFAOYSA-N 0 2 400.485 3.818 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)=N2)cc1 ZINC000499747800 1003091926 /nfs/dbraw/zinc/09/19/26/1003091926.db2.gz ZMCYMBNFLAMMBM-GOSISDBHSA-N 0 2 423.469 3.581 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](c3ccccc3)c3cccnc3)=N2)cc1 ZINC000499942906 1003265698 /nfs/dbraw/zinc/26/56/98/1003265698.db2.gz AIUIFQFVUZJVLS-OAQYLSRUSA-N 0 2 400.438 3.501 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N(CCc1ccccc1)Cc1ccncc1 ZINC000499946885 1003269211 /nfs/dbraw/zinc/26/92/11/1003269211.db2.gz IQUFQLTVIYAYAZ-UHFFFAOYSA-N 0 2 416.456 3.997 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC(OC4CCC(C)CC4)CC3)=N2)cc1 ZINC000500012317 1003338257 /nfs/dbraw/zinc/33/82/57/1003338257.db2.gz WNHJYRCCYCMHOO-UHFFFAOYSA-N 0 2 413.518 3.786 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1coc(C2CCCC2)n1 ZINC000509015900 1003488256 /nfs/dbraw/zinc/48/82/56/1003488256.db2.gz OJHTXGIWNMBURK-UHFFFAOYSA-N 0 2 418.500 3.842 20 0 HHADLN CC(C)(NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1nc(C(F)(F)F)cs1 ZINC000500156513 1003511545 /nfs/dbraw/zinc/51/15/45/1003511545.db2.gz LRKLMYVXXUZRDH-UHFFFAOYSA-N 0 2 414.384 3.857 20 0 HHADLN O=C(Nc1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1cccc2c1OCO2 ZINC000509097661 1003550420 /nfs/dbraw/zinc/55/04/20/1003550420.db2.gz JANZMKVBLSWJKQ-UHFFFAOYSA-N 0 2 414.414 3.608 20 0 HHADLN CCC(=O)Nc1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000500289713 1003601884 /nfs/dbraw/zinc/60/18/84/1003601884.db2.gz MFVCVLGWWZBXJJ-UHFFFAOYSA-N 0 2 401.257 3.738 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(cc(C)cc3C)s2)cc1OC ZINC000500421926 1003706740 /nfs/dbraw/zinc/70/67/40/1003706740.db2.gz IJSYGIKIBAGFQV-UHFFFAOYSA-N 0 2 406.485 3.509 20 0 HHADLN COc1cncc(S(=O)(=O)Nc2nc(C)c(Cc3c(F)cccc3F)s2)c1 ZINC000500472581 1003736036 /nfs/dbraw/zinc/73/60/36/1003736036.db2.gz USHKIEZWUHBWNP-UHFFFAOYSA-N 0 2 411.455 3.525 20 0 HHADLN Cc1ncc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)c(C2CC2)n1 ZINC000500561378 1003783997 /nfs/dbraw/zinc/78/39/97/1003783997.db2.gz SEHRERILMJFTSA-UHFFFAOYSA-N 0 2 402.701 3.879 20 0 HHADLN CO[C@H]1CCC[C@@H](Oc2ccnc(NS(=O)(=O)c3cc(C)c(Cl)s3)n2)C1 ZINC000500567710 1003788092 /nfs/dbraw/zinc/78/80/92/1003788092.db2.gz MVKWUVZAXUIPQE-NWDGAFQWSA-N 0 2 417.940 3.637 20 0 HHADLN O=S(=O)(Nc1cncc(F)c1)c1ccc(OC(F)(F)F)cc1Br ZINC000500571453 1003790400 /nfs/dbraw/zinc/79/04/00/1003790400.db2.gz XESFNUSYPNSKDN-UHFFFAOYSA-N 0 2 415.162 3.683 20 0 HHADLN C[S@](=O)Cc1ccccc1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000509378517 1003808073 /nfs/dbraw/zinc/80/80/73/1003808073.db2.gz LSQJXYDBWFIPHB-NRFANRHFSA-N 0 2 422.753 3.782 20 0 HHADLN CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000511841089 1003818142 /nfs/dbraw/zinc/81/81/42/1003818142.db2.gz GACPDCVCKNDSEJ-LJQANCHMSA-N 0 2 420.538 3.565 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc(-c2cncc(F)c2)ccc1C ZINC000509397614 1003829585 /nfs/dbraw/zinc/82/95/85/1003829585.db2.gz VRHVFXXCZLRSMG-UHFFFAOYSA-N 0 2 418.421 3.923 20 0 HHADLN CCCOc1ccc(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1OC ZINC000509417719 1003846957 /nfs/dbraw/zinc/84/69/57/1003846957.db2.gz RNFQQIRRGUICCQ-UHFFFAOYSA-N 0 2 407.385 3.519 20 0 HHADLN CCCOc1ccc(CN(CCC)C(=O)c2c[nH]c3c(cnn3C)c2=O)cc1OC ZINC000511907675 1003883491 /nfs/dbraw/zinc/88/34/91/1003883491.db2.gz UNDZADLCGQSHHB-UHFFFAOYSA-N 0 2 412.490 3.524 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3nn(-c4ccc(F)cc4)cc3C)s[nH]2)c1 ZINC000509534032 1003929163 /nfs/dbraw/zinc/92/91/63/1003929163.db2.gz VXJOVSZECVLVGA-UHFFFAOYSA-N 0 2 409.446 3.521 20 0 HHADLN Cc1sc(NS(=O)(=O)Cc2ccccc2)nc1-c1ccc2c(c1)CCC(=O)N2 ZINC000500798899 1003964551 /nfs/dbraw/zinc/96/45/51/1003964551.db2.gz YJNWXHHFIAEUQB-UHFFFAOYSA-N 0 2 413.524 3.945 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccccc2OC(F)F)c(OC[C@H]2CCCO2)c1 ZINC000509593501 1003967578 /nfs/dbraw/zinc/96/75/78/1003967578.db2.gz XAPOFFUGTHIYQI-CQSZACIVSA-N 0 2 413.442 3.955 20 0 HHADLN O=S(=O)(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cccc(F)c1F ZINC000509628516 1003990956 /nfs/dbraw/zinc/99/09/56/1003990956.db2.gz KQYAYNOKBFPGPT-UHFFFAOYSA-N 0 2 404.442 3.751 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1N1CCOCC1)c1ccccc1OC(F)F ZINC000509630218 1003992515 /nfs/dbraw/zinc/99/25/15/1003992515.db2.gz BCDGVIUJABHLMK-UHFFFAOYSA-N 0 2 418.849 3.579 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3nc4c(ccc(F)c4F)s3)cc21 ZINC000500867256 1004014208 /nfs/dbraw/zinc/01/42/08/1004014208.db2.gz MNDBIBQXPYWUDE-UHFFFAOYSA-N 0 2 423.466 3.674 20 0 HHADLN O=C(NCc1ccco1)Nc1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1 ZINC000509668096 1004016030 /nfs/dbraw/zinc/01/60/30/1004016030.db2.gz SSGUUMYZEPQJAD-UHFFFAOYSA-N 0 2 407.398 3.680 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000509668056 1004016225 /nfs/dbraw/zinc/01/62/25/1004016225.db2.gz SGCDVFWCWBIAKP-UHFFFAOYSA-N 0 2 409.769 3.826 20 0 HHADLN CO[C@@H](C)c1nsc(NCC2(c3cccc(Br)c3)CCOCC2)n1 ZINC000509695031 1004034782 /nfs/dbraw/zinc/03/47/82/1004034782.db2.gz WOGPHHIEGRXJNE-LBPRGKRZSA-N 0 2 412.353 3.590 20 0 HHADLN Cc1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000512349683 1004237918 /nfs/dbraw/zinc/23/79/18/1004237918.db2.gz ZDUISHOSBMMFQG-UHFFFAOYSA-N 0 2 418.478 3.725 20 0 HHADLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000510123952 1004340709 /nfs/dbraw/zinc/34/07/09/1004340709.db2.gz HQPYEXJHTBGQGR-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN O=S(=O)(Nc1nccs1)c1cccc(NCc2cc(-n3ccnc3)cs2)c1 ZINC000512652036 1004463791 /nfs/dbraw/zinc/46/37/91/1004463791.db2.gz HFVJQDYTYXTRHW-UHFFFAOYSA-N 0 2 417.541 3.803 20 0 HHADLN CCCc1noc2nc(CC)cc(C(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)c12 ZINC000501575218 1004529336 /nfs/dbraw/zinc/52/93/36/1004529336.db2.gz LBPQJCRKOWDVDW-UHFFFAOYSA-N 0 2 411.487 3.720 20 0 HHADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000512740270 1004530927 /nfs/dbraw/zinc/53/09/27/1004530927.db2.gz ZWNMPKATNOGSSV-UHFFFAOYSA-N 0 2 410.879 3.644 20 0 HHADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Br)c(F)c1 ZINC000512752018 1004537172 /nfs/dbraw/zinc/53/71/72/1004537172.db2.gz JDYRIFNHTWVUJK-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN CCOC(=O)[C@@H](C(=O)CSc1nc(-c2ccc(F)cc2)c[nH]1)c1nc(C)cs1 ZINC000501610706 1004551212 /nfs/dbraw/zinc/55/12/12/1004551212.db2.gz FQLOUXSVFLBGPN-INIZCTEOSA-N 0 2 419.503 3.989 20 0 HHADLN Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000501984814 1004846239 /nfs/dbraw/zinc/84/62/39/1004846239.db2.gz MYWUDIPOBUJQNS-OAHLLOKOSA-N 0 2 410.236 3.556 20 0 HHADLN O=C(COc1ccccc1)N1CCC(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC1 ZINC000501986764 1004847408 /nfs/dbraw/zinc/84/74/08/1004847408.db2.gz UMJNQTDJCYDLEE-UHFFFAOYSA-N 0 2 423.296 3.955 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCOC[C@@H]1c1nc2ccccc2s1 ZINC000502183413 1004943912 /nfs/dbraw/zinc/94/39/12/1004943912.db2.gz YCUJTPAXQWNPMN-OAHLLOKOSA-N 0 2 423.523 3.842 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)c1F ZINC000513433134 1004963848 /nfs/dbraw/zinc/96/38/48/1004963848.db2.gz WHWDUVRWOOLLEV-UHFFFAOYSA-N 0 2 419.499 3.909 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000513509991 1004997170 /nfs/dbraw/zinc/99/71/70/1004997170.db2.gz XHLUSXUTKCAFRW-QRVBRYPASA-N 0 2 406.511 3.663 20 0 HHADLN CCNC(=O)COc1ccc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)cc1 ZINC000511116023 1005025924 /nfs/dbraw/zinc/02/59/24/1005025924.db2.gz PGDQYKDSRIJNAA-UHFFFAOYSA-N 0 2 417.314 3.618 20 0 HHADLN CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1 ZINC000511115719 1005026031 /nfs/dbraw/zinc/02/60/31/1005026031.db2.gz NQTLTFWSPVIXJH-UHFFFAOYSA-N 0 2 420.531 3.767 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccn2)ccc1Br ZINC000502428135 1005072838 /nfs/dbraw/zinc/07/28/38/1005072838.db2.gz YASWJAIBLTYRHL-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN CCCc1csc(NS(=O)(=O)c2cc(F)c(Br)cc2OC)n1 ZINC000502438461 1005076266 /nfs/dbraw/zinc/07/62/66/1005076266.db2.gz GCDAVANIZSFGMM-UHFFFAOYSA-N 0 2 409.302 3.807 20 0 HHADLN CC(C)(C)c1nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)no1 ZINC000502465293 1005084072 /nfs/dbraw/zinc/08/40/72/1005084072.db2.gz QLZHUQPHHONQNQ-UHFFFAOYSA-N 0 2 418.450 3.559 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000502521527 1005100567 /nfs/dbraw/zinc/10/05/67/1005100567.db2.gz SMXPFHLHCLCDPI-UHFFFAOYSA-N 0 2 419.279 3.594 20 0 HHADLN O=S(=O)(Nc1cnc(-c2cccc(O)c2)nc1)c1cc(Br)ccc1F ZINC000502763351 1005206378 /nfs/dbraw/zinc/20/63/78/1005206378.db2.gz ROKDQUOOODQMOC-UHFFFAOYSA-N 0 2 424.251 3.552 20 0 HHADLN CCC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c1 ZINC000503239300 1005374854 /nfs/dbraw/zinc/37/48/54/1005374854.db2.gz XMFHOCPRNVJKLZ-SFHVURJKSA-N 0 2 410.499 3.590 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cc(Br)cc2nc[nH]c21 ZINC000503338681 1005393363 /nfs/dbraw/zinc/39/33/63/1005393363.db2.gz OCRBANCBNCOAKT-UHFFFAOYSA-N 0 2 406.290 3.580 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cc(Br)cc2[nH]cnc21 ZINC000503338681 1005393365 /nfs/dbraw/zinc/39/33/65/1005393365.db2.gz OCRBANCBNCOAKT-UHFFFAOYSA-N 0 2 406.290 3.580 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N[C@@H](CC2CCCC2)c2ccccc2)s[nH]1 ZINC000503655990 1005474893 /nfs/dbraw/zinc/47/48/93/1005474893.db2.gz YANWPMQWGKRCPJ-INIZCTEOSA-N 0 2 400.548 3.634 20 0 HHADLN CCn1cnc(S(=O)(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)c1 ZINC000503845645 1005499530 /nfs/dbraw/zinc/49/95/30/1005499530.db2.gz LWBWUVXJQLLJMH-LBPRGKRZSA-N 0 2 401.332 3.504 20 0 HHADLN CCOC(=O)c1cccc(S(=O)(=O)Nc2ccnn2-c2cccc(Cl)c2)c1 ZINC000503909591 1005509779 /nfs/dbraw/zinc/50/97/79/1005509779.db2.gz LGPPQMLJLRFKBM-UHFFFAOYSA-N 0 2 405.863 3.503 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)cc1)c1ccncc1 ZINC000504062621 1005543944 /nfs/dbraw/zinc/54/39/44/1005543944.db2.gz UFVXIQIXJDRDBC-UHFFFAOYSA-N 0 2 419.466 3.525 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)cc1 ZINC000504251837 1005582547 /nfs/dbraw/zinc/58/25/47/1005582547.db2.gz FTDOQTTURAUYNZ-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cc(-c2ccccc2)cnc1C ZINC000534060210 1006031539 /nfs/dbraw/zinc/03/15/39/1006031539.db2.gz QTKWNOFDGPMROS-UHFFFAOYSA-N 0 2 411.483 3.825 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1c(-c2ccncc2)nc2ccccn21 ZINC000531278665 1006089088 /nfs/dbraw/zinc/08/90/88/1006089088.db2.gz BCWJDMBJCCAGKH-UHFFFAOYSA-N 0 2 410.503 3.591 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1c(-c2ccncc2)[nH+]c2ccccn21 ZINC000531278665 1006089100 /nfs/dbraw/zinc/08/91/00/1006089100.db2.gz BCWJDMBJCCAGKH-UHFFFAOYSA-N 0 2 410.503 3.591 20 0 HHADLN O=S(=O)(Nc1nnc(CCc2ccccc2)o1)c1ccc(C(F)(F)F)c(F)c1 ZINC000514709722 1006090346 /nfs/dbraw/zinc/09/03/46/1006090346.db2.gz CJIJTGOSAWEIEO-UHFFFAOYSA-N 0 2 415.368 3.814 20 0 HHADLN C[C@]12CCC[N@@H+]1C[C@@H](c1noc([C@H]3CCn4c(cnc4C4CCCCC4)C3)n1)OC2 ZINC000514819166 1006150356 /nfs/dbraw/zinc/15/03/56/1006150356.db2.gz XVCUMMJPJFCVCZ-WCAVRKLYSA-N 0 2 411.550 3.970 20 0 HHADLN O=S(=O)(Nc1cccc(OCc2cscn2)c1)c1cccnc1C(F)(F)F ZINC000514885125 1006185744 /nfs/dbraw/zinc/18/57/44/1006185744.db2.gz UXICJRKZAFWASV-UHFFFAOYSA-N 0 2 415.418 3.937 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccnn2Cc2ccccn2)c(C)cc1Br ZINC000534205182 1006197689 /nfs/dbraw/zinc/19/76/89/1006197689.db2.gz QPHVVOKDWOPVFL-UHFFFAOYSA-N 0 2 421.320 3.507 20 0 HHADLN CCc1ccc2nc(NS(=O)(=O)c3ccc4c(c3)N(C(C)=O)CC4)sc2c1 ZINC000534206203 1006200060 /nfs/dbraw/zinc/20/00/60/1006200060.db2.gz IUYZEEHVPCKPIY-UHFFFAOYSA-N 0 2 401.513 3.569 20 0 HHADLN CC[C@@H]1CN(C(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)[C@@H](CC)CN1C(C)=O ZINC000531464067 1006213475 /nfs/dbraw/zinc/21/34/75/1006213475.db2.gz ZXMSIDVOBXKWCQ-MOPGFXCFSA-N 0 2 412.534 3.563 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1C1CC1 ZINC000534238466 1006243453 /nfs/dbraw/zinc/24/34/53/1006243453.db2.gz ORBNKZGVAATVAA-AWEZNQCLSA-N 0 2 402.520 3.659 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1C1CC1 ZINC000534238467 1006243716 /nfs/dbraw/zinc/24/37/16/1006243716.db2.gz ORBNKZGVAATVAA-CQSZACIVSA-N 0 2 402.520 3.659 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3ccc(Br)cc3C)o2)cc1 ZINC000515123265 1006303608 /nfs/dbraw/zinc/30/36/08/1006303608.db2.gz VGWATHAPELYPQT-UHFFFAOYSA-N 0 2 424.276 3.617 20 0 HHADLN Cc1ccc(-n2nc(C(=O)N=c3nc(-c4cccnc4)[nH]s3)c3c2CCC3)c(C)c1 ZINC000534433028 1006407780 /nfs/dbraw/zinc/40/77/80/1006407780.db2.gz MFFSQDMEUGKDRN-UHFFFAOYSA-N 0 2 416.510 3.566 20 0 HHADLN O=C(COc1cc(Cl)c(Cl)cc1Cl)N=c1nc(-c2cccnc2)[nH]s1 ZINC000534433704 1006408656 /nfs/dbraw/zinc/40/86/56/1006408656.db2.gz UYIAKDBCPZXEFB-UHFFFAOYSA-N 0 2 415.689 4.000 20 0 HHADLN O=C(CCc1nc2cc(Cl)ccc2s1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000534433774 1006409645 /nfs/dbraw/zinc/40/96/45/1006409645.db2.gz XWQVPWBQJKDIMI-UHFFFAOYSA-N 0 2 401.904 3.856 20 0 HHADLN C[C@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000534442744 1006422622 /nfs/dbraw/zinc/42/26/22/1006422622.db2.gz YSVRKCPUDDEWRW-AWEZNQCLSA-N 0 2 417.494 3.819 20 0 HHADLN Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000515408280 1006446098 /nfs/dbraw/zinc/44/60/98/1006446098.db2.gz FTVMUAIUSSBSSQ-UHFFFAOYSA-N 0 2 420.860 3.749 20 0 HHADLN Cc1cccc(Oc2ncccc2NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c1C ZINC000515696964 1006595088 /nfs/dbraw/zinc/59/50/88/1006595088.db2.gz GLGSTDANWDOFNN-UHFFFAOYSA-N 0 2 423.494 3.810 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CC[C@@]3(C2)CCc2ccccc2O3)=N1 ZINC000515720707 1006618838 /nfs/dbraw/zinc/61/88/38/1006618838.db2.gz SOGUDKBXCAZLDO-XMMPIXPASA-N 0 2 403.482 3.750 20 0 HHADLN COc1cccc(-c2nc(C(=O)Nc3nnc(Cc4ccc(F)cc4)s3)no2)c1 ZINC000532114361 1006647768 /nfs/dbraw/zinc/64/77/68/1006647768.db2.gz BEAVRJVAAHKZBG-UHFFFAOYSA-N 0 2 411.418 3.579 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C)nc1C1CC1 ZINC000534671911 1006649257 /nfs/dbraw/zinc/64/92/57/1006649257.db2.gz HYYXLYVPNJYNJL-UHFFFAOYSA-N 0 2 420.434 3.935 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000534674844 1006651788 /nfs/dbraw/zinc/65/17/88/1006651788.db2.gz ILEFSPPSEKSLNJ-UHFFFAOYSA-N 0 2 415.805 3.741 20 0 HHADLN Cc1cc(S(C)(=O)=O)cc(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c1C ZINC000534742631 1006733169 /nfs/dbraw/zinc/73/31/69/1006733169.db2.gz OLTPUTCCMACKBS-UHFFFAOYSA-N 0 2 421.931 3.553 20 0 HHADLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccccc1Nc1ccc(F)cc1 ZINC000538496620 1006764267 /nfs/dbraw/zinc/76/42/67/1006764267.db2.gz VJOBQWFRJRPLMN-UHFFFAOYSA-N 0 2 420.487 3.774 20 0 HHADLN Cc1cc(NS(=O)(=O)C[C@H]2CCCCO2)nn1-c1ccc(Cl)cc1Cl ZINC000538498514 1006767067 /nfs/dbraw/zinc/76/70/67/1006767067.db2.gz HNSKDVTUSJZZDC-CYBMUJFWSA-N 0 2 404.319 3.798 20 0 HHADLN CCc1cccc2c1N(C(=O)c1ccc(S(=O)(=O)Nc3nccs3)cc1)CC2 ZINC000532410856 1006856593 /nfs/dbraw/zinc/85/65/93/1006856593.db2.gz SHAGRPLXTYJMJI-UHFFFAOYSA-N 0 2 413.524 3.709 20 0 HHADLN CC(C)c1nc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)no1 ZINC000538696701 1006975810 /nfs/dbraw/zinc/97/58/10/1006975810.db2.gz ONDXTELISMVVTG-UHFFFAOYSA-N 0 2 414.203 3.775 20 0 HHADLN O=C(c1cccc(Br)c1O)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000538744340 1007028802 /nfs/dbraw/zinc/02/88/02/1007028802.db2.gz FBHPWLNPYNTGAP-YVMONPNESA-N 0 2 401.304 3.626 20 0 HHADLN O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cccc(Br)c1O ZINC000538788857 1007071443 /nfs/dbraw/zinc/07/14/43/1007071443.db2.gz GZBBNYDNGSRSCE-UHFFFAOYSA-N 0 2 411.683 3.897 20 0 HHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1sccc1S(=O)(=O)N1CCCC1 ZINC000538830750 1007103473 /nfs/dbraw/zinc/10/34/73/1007103473.db2.gz OEVDTPYXRVAXHW-UHFFFAOYSA-N 0 2 421.327 3.797 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)n(C2CCOCC2)n1 ZINC000516520920 1007130877 /nfs/dbraw/zinc/13/08/77/1007130877.db2.gz YMGWFBQNWIHECK-UHFFFAOYSA-N 0 2 403.426 3.671 20 0 HHADLN CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)cc1 ZINC000538857596 1007132412 /nfs/dbraw/zinc/13/24/12/1007132412.db2.gz LFZUUCJCYMTTTG-UHFFFAOYSA-N 0 2 417.314 3.982 20 0 HHADLN CC(C)(C)Cc1nc(-c2ccc(C(=O)N=c3nc(-c4cccnc4)[nH]s3)cc2)no1 ZINC000535171089 1007213362 /nfs/dbraw/zinc/21/33/62/1007213362.db2.gz DANXUWINSHOXGX-UHFFFAOYSA-N 0 2 420.498 3.913 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)[C@H]1C[C@H]1c1ccc(Br)cc1 ZINC000535173178 1007216700 /nfs/dbraw/zinc/21/67/00/1007216700.db2.gz LWHCKBYRTXFIOD-KBPBESRZSA-N 0 2 401.289 3.527 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc3cc4c(cc3s2)OCCO4)c(Cl)c1 ZINC000516679193 1007226360 /nfs/dbraw/zinc/22/63/60/1007226360.db2.gz NPMUIKHIGSTRRC-UHFFFAOYSA-N 0 2 412.876 3.530 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2COCc2ccccc2)c(C)o1 ZINC000532845835 1007230387 /nfs/dbraw/zinc/23/03/87/1007230387.db2.gz WAUQWBUSPUYAFC-UHFFFAOYSA-N 0 2 415.467 3.892 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)nc1C(C)C ZINC000535233855 1007287987 /nfs/dbraw/zinc/28/79/87/1007287987.db2.gz OEMYMAFHAKHYSO-UHFFFAOYSA-N 0 2 414.553 3.638 20 0 HHADLN Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3cc(F)ccc3Br)c2C)o1 ZINC000532933281 1007306223 /nfs/dbraw/zinc/30/62/23/1007306223.db2.gz MPIGDEZGCQXQCN-UHFFFAOYSA-N 0 2 414.256 3.989 20 0 HHADLN CCc1nc(NS(=O)(=O)c2ccc(C(=O)OC)c(C(F)(F)F)c2)sc1C ZINC000516858073 1007323174 /nfs/dbraw/zinc/32/31/74/1007323174.db2.gz ZMDJKUTWGUYGSO-UHFFFAOYSA-N 0 2 408.423 3.620 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1cccc(OC)c1OC ZINC000517004233 1007370492 /nfs/dbraw/zinc/37/04/92/1007370492.db2.gz PMAITGURMGOMJN-GOSISDBHSA-N 0 2 423.513 3.557 20 0 HHADLN Cc1c(-c2ccccc2)n[nH]c1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000539113447 1007400482 /nfs/dbraw/zinc/40/04/82/1007400482.db2.gz ZNCLTSFUMKEIGZ-UHFFFAOYSA-N 0 2 404.451 3.905 20 0 HHADLN O=S(=O)(Nc1cnn(-c2cnc3ccccc3n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000535349053 1007403918 /nfs/dbraw/zinc/40/39/18/1007403918.db2.gz FTFLZWOQZVXNTN-UHFFFAOYSA-N 0 2 420.281 3.923 20 0 HHADLN CCOC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000517173859 1007481097 /nfs/dbraw/zinc/48/10/97/1007481097.db2.gz GYFOADSOMSMNTB-UHFFFAOYSA-N 0 2 404.271 3.980 20 0 HHADLN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000539202806 1007498639 /nfs/dbraw/zinc/49/86/39/1007498639.db2.gz ISBWBNPGBDXUEX-LPHOPBHVSA-N 0 2 419.815 3.770 20 0 HHADLN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000539202805 1007498705 /nfs/dbraw/zinc/49/87/05/1007498705.db2.gz ISBWBNPGBDXUEX-APWZRJJASA-N 0 2 419.815 3.770 20 0 HHADLN O=S(=O)(c1ccc(F)cc1Cl)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000535455946 1007518116 /nfs/dbraw/zinc/51/81/16/1007518116.db2.gz KJXOXNWBRQSYRL-HNNXBMFYSA-N 0 2 406.870 3.790 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)NC1CCC(F)(F)CC1 ZINC000535611006 1007619132 /nfs/dbraw/zinc/61/91/32/1007619132.db2.gz GHHLEGRWJLYYLL-UHFFFAOYSA-N 0 2 416.475 3.643 20 0 HHADLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccccc1NC1CCCCC1 ZINC000535737555 1007766152 /nfs/dbraw/zinc/76/61/52/1007766152.db2.gz SQDHVDSUSAGFJW-UHFFFAOYSA-N 0 2 408.545 3.636 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)n2)cc1F ZINC000517615293 1007821601 /nfs/dbraw/zinc/82/16/01/1007821601.db2.gz YYRWTPSVYYXFRR-UHFFFAOYSA-N 0 2 400.431 3.768 20 0 HHADLN O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000535840830 1007851069 /nfs/dbraw/zinc/85/10/69/1007851069.db2.gz CNFNXYZHUWDDGW-UHFFFAOYSA-N 0 2 401.470 3.533 20 0 HHADLN Cc1cnn(-c2ccncc2NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000533548872 1007867997 /nfs/dbraw/zinc/86/79/97/1007867997.db2.gz ZYAXYCFFRFDBAE-UHFFFAOYSA-N 0 2 402.479 3.948 20 0 HHADLN O=C(CCc1ncc(-c2ccccc2Cl)o1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535938623 1007969028 /nfs/dbraw/zinc/96/90/28/1007969028.db2.gz SZPRMMZAEFUKQH-UHFFFAOYSA-N 0 2 411.874 3.902 20 0 HHADLN O=S(=O)(Nc1c(-c2ccncc2)nc2ccccn21)c1cc(F)cc(Cl)c1 ZINC000533690373 1008014833 /nfs/dbraw/zinc/01/48/33/1008014833.db2.gz UNNHEZXUZOMIGC-UHFFFAOYSA-N 0 2 402.838 3.990 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccc2)c1)c1cc(F)c(Br)cc1F ZINC000535989530 1008028877 /nfs/dbraw/zinc/02/88/77/1008028877.db2.gz VAJCLHQKIYETII-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000533724105 1008050446 /nfs/dbraw/zinc/05/04/46/1008050446.db2.gz RWTVYWHLNVOGJH-UHFFFAOYSA-N 0 2 411.874 3.902 20 0 HHADLN COc1cc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cc(Cl)c1OCC(C)C ZINC000533729712 1008056164 /nfs/dbraw/zinc/05/61/64/1008056164.db2.gz UTTHLOLOMJFHIP-UHFFFAOYSA-N 0 2 418.906 3.971 20 0 HHADLN Cc1ccc2oc(C(=O)Nc3nnc(NS(=O)(=O)c4ccccc4)s3)cc2c1 ZINC000518066307 1008140618 /nfs/dbraw/zinc/14/06/18/1008140618.db2.gz KVSTYJQNENDDED-UHFFFAOYSA-N 0 2 414.468 3.646 20 0 HHADLN CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)s1 ZINC000539951045 1008202183 /nfs/dbraw/zinc/20/21/83/1008202183.db2.gz MOEDRVSYKBXGRR-UHFFFAOYSA-N 0 2 417.556 3.802 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(CC(C)(C)C)nn2C)cc1Br ZINC000518199974 1008203710 /nfs/dbraw/zinc/20/37/10/1008203710.db2.gz IMODHBMLMMVBKE-UHFFFAOYSA-N 0 2 416.341 3.581 20 0 HHADLN CC(=O)Nc1ccc(S[C@H](C)C(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1 ZINC000518280976 1008237190 /nfs/dbraw/zinc/23/71/90/1008237190.db2.gz WPFWDZMXJXAXJM-SNVBAGLBSA-N 0 2 404.542 3.766 20 0 HHADLN Cc1nn(C)c(NS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)c1C ZINC000518587811 1008357067 /nfs/dbraw/zinc/35/70/67/1008357067.db2.gz DOOUJIFAWKNBHI-UHFFFAOYSA-N 0 2 412.231 3.619 20 0 HHADLN CC(C)(C)c1ncc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)s1 ZINC000518656694 1008381950 /nfs/dbraw/zinc/38/19/50/1008381950.db2.gz JLXQJPLWIVJAFS-UHFFFAOYSA-N 0 2 422.557 3.950 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)c1ccccn1 ZINC000518756214 1008415373 /nfs/dbraw/zinc/41/53/73/1008415373.db2.gz LIBRTDDTGHEZGN-UHFFFAOYSA-N 0 2 405.838 3.927 20 0 HHADLN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c(C)c1 ZINC000519061184 1008514485 /nfs/dbraw/zinc/51/44/85/1008514485.db2.gz KSEJODXRCRQMBY-INIZCTEOSA-N 0 2 412.515 3.510 20 0 HHADLN CCOc1cc2c(cc1NS(=O)(=O)c1ccc3c4c(cccc41)C(=O)N3)O[C@H](C)C2 ZINC000519119901 1008547433 /nfs/dbraw/zinc/54/74/33/1008547433.db2.gz VQWDRXODTUKGAM-GFCCVEGCSA-N 0 2 424.478 3.928 20 0 HHADLN CC[C@@H](CC(F)(F)F)NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000545516780 1008618542 /nfs/dbraw/zinc/61/85/42/1008618542.db2.gz LMLMSYZGYBRFOE-JTQLQIEISA-N 0 2 422.454 3.796 20 0 HHADLN O=S(=O)(Nc1ncn(C2CCCCC2)n1)c1ccc(OC(F)F)c(Cl)c1 ZINC000543144665 1008717746 /nfs/dbraw/zinc/71/77/46/1008717746.db2.gz JNPKUYYLJDHYNJ-UHFFFAOYSA-N 0 2 406.842 3.839 20 0 HHADLN O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1cccc(Br)c1O ZINC000519348381 1008751427 /nfs/dbraw/zinc/75/14/27/1008751427.db2.gz IGURDHBKMTZBFF-UHFFFAOYSA-N 0 2 408.252 3.988 20 0 HHADLN CCCc1nnc(NS(=O)(=O)c2cc(Br)cc3cccnc32)s1 ZINC000519769321 1008997317 /nfs/dbraw/zinc/99/73/17/1008997317.db2.gz ALLTUZSOBUEIDI-UHFFFAOYSA-N 0 2 413.322 3.602 20 0 HHADLN CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000543580409 1009186004 /nfs/dbraw/zinc/18/60/04/1009186004.db2.gz OWXBZQHMTOGWNO-ACJLOTCBSA-N 0 2 421.463 3.886 20 0 HHADLN CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000543580409 1009186006 /nfs/dbraw/zinc/18/60/06/1009186006.db2.gz OWXBZQHMTOGWNO-ACJLOTCBSA-N 0 2 421.463 3.886 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C)[C@H](C)Cc3ccccc3OC)s[nH]2)c1 ZINC000543617052 1009222988 /nfs/dbraw/zinc/22/29/88/1009222988.db2.gz SUXNMTYBBBYVDV-CQSZACIVSA-N 0 2 412.515 3.739 20 0 HHADLN C[C@@H](CNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccccc1 ZINC000543635581 1009239147 /nfs/dbraw/zinc/23/91/47/1009239147.db2.gz INXLVYCECSYJAL-AWEZNQCLSA-N 0 2 416.528 3.869 20 0 HHADLN COCC[C@H](Cc1ccco1)NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000543656013 1009261578 /nfs/dbraw/zinc/26/15/78/1009261578.db2.gz KBDRGBGIJGSVPO-CQSZACIVSA-N 0 2 406.895 3.643 20 0 HHADLN C[C@@H]1CCCN(C(=O)C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)C1 ZINC000549648652 1009276418 /nfs/dbraw/zinc/27/64/18/1009276418.db2.gz ZFILXBDYKLSECZ-OAHLLOKOSA-N 0 2 422.510 3.616 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)c1F ZINC000543791309 1009359673 /nfs/dbraw/zinc/35/96/73/1009359673.db2.gz DCHBECPJBQXBIG-UHFFFAOYSA-N 0 2 414.462 3.652 20 0 HHADLN CCCc1ccc(S(=O)(=O)Nc2nc3nc(C)cc(C(=O)OC)c3s2)cc1 ZINC000520272871 1009390854 /nfs/dbraw/zinc/39/08/54/1009390854.db2.gz NITHWXSBHMYSDD-UHFFFAOYSA-N 0 2 405.501 3.540 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cc(C(C)C)nn2-c2ccccc2)cc1 ZINC000520299713 1009425261 /nfs/dbraw/zinc/42/52/61/1009425261.db2.gz UBIYTARDPNBLJY-UHFFFAOYSA-N 0 2 412.515 3.779 20 0 HHADLN O=S(=O)(Nc1ccccc1OC[C@H]1CCCCO1)c1ccc(C(F)(F)F)nc1 ZINC000543865375 1009432252 /nfs/dbraw/zinc/43/22/52/1009432252.db2.gz LNLGWAVJOFVPRC-CYBMUJFWSA-N 0 2 416.421 3.849 20 0 HHADLN O=C1CCCN1Cc1ccc(-c2noc(-c3cccc(Br)c3O)n2)cc1 ZINC000546440523 1009459020 /nfs/dbraw/zinc/45/90/20/1009459020.db2.gz KUKNQJQONGNWNH-UHFFFAOYSA-N 0 2 414.259 3.994 20 0 HHADLN CCOC(=O)c1sc2ncc(S(=O)(=O)Nc3c(C)noc3C3CC3)cc2c1C ZINC000546623566 1009634595 /nfs/dbraw/zinc/63/45/95/1009634595.db2.gz IQHWRWREMYCALK-UHFFFAOYSA-N 0 2 421.500 3.756 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)c(F)cc1F ZINC000544079906 1009685879 /nfs/dbraw/zinc/68/58/79/1009685879.db2.gz ZFJJBYDMTWVRIX-UHFFFAOYSA-N 0 2 416.877 3.560 20 0 HHADLN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NS(=O)(=O)c1ccc(F)cc1F ZINC000520614488 1009689997 /nfs/dbraw/zinc/68/99/97/1009689997.db2.gz PVBYXOUIYFVJKJ-CYBMUJFWSA-N 0 2 408.470 3.946 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3cc(C)n([C@@H](C)C4CC4)n3)cc2F)c1 ZINC000544094937 1009704430 /nfs/dbraw/zinc/70/44/30/1009704430.db2.gz GSGMZZJIIGSIJP-AWEZNQCLSA-N 0 2 403.483 3.597 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 ZINC000544096049 1009705297 /nfs/dbraw/zinc/70/52/97/1009705297.db2.gz FWUGFYJQKGPYEF-IBGZPJMESA-N 0 2 407.536 3.515 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)nn1-c1ccc(C)cc1 ZINC000544097346 1009707235 /nfs/dbraw/zinc/70/72/35/1009707235.db2.gz UWFBAQBHULFTNH-UHFFFAOYSA-N 0 2 407.442 3.934 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000550121828 1009713852 /nfs/dbraw/zinc/71/38/52/1009713852.db2.gz GMNWVCABTLQXQF-UHFFFAOYSA-N 0 2 423.473 3.853 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)C1=Cc2cc(Br)ccc2OC1 ZINC000520967251 1010011432 /nfs/dbraw/zinc/01/14/32/1010011432.db2.gz MBCIWXVZSANCTR-UHFFFAOYSA-N 0 2 420.313 3.866 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1cc(Cc2ccccc2)[nH]n1 ZINC000550588576 1010048850 /nfs/dbraw/zinc/04/88/50/1010048850.db2.gz FHDZHDDUXHFWBD-UHFFFAOYSA-N 0 2 423.274 3.800 20 0 HHADLN C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000544552625 1010181594 /nfs/dbraw/zinc/18/15/94/1010181594.db2.gz ZSYJSBXVXBRADL-CJNGLKHVSA-N 0 2 402.775 3.777 20 0 HHADLN C[N@H+]1CC[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000544552625 1010181601 /nfs/dbraw/zinc/18/16/01/1010181601.db2.gz ZSYJSBXVXBRADL-CJNGLKHVSA-N 0 2 402.775 3.777 20 0 HHADLN Cn1cnc(-c2ccc(NS(=O)(=O)c3c(Cl)cccc3C(F)(F)F)cc2)n1 ZINC000547243354 1010188847 /nfs/dbraw/zinc/18/88/47/1010188847.db2.gz FXCRAOIQDVYPFB-UHFFFAOYSA-N 0 2 416.812 3.955 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccccc2C[S@](C)=O)cnn1-c1ccc(Cl)cc1 ZINC000547246341 1010192625 /nfs/dbraw/zinc/19/26/25/1010192625.db2.gz IUFXHUREOZDDHN-SANMLTNESA-N 0 2 423.947 3.513 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc(C)[nH]c2=O)cc1 ZINC000544578611 1010206837 /nfs/dbraw/zinc/20/68/37/1010206837.db2.gz DJXQEORUNRBSIT-UHFFFAOYSA-N 0 2 403.485 3.519 20 0 HHADLN COCCN(C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1)[C@H](C)c1ccccc1 ZINC000544593872 1010219635 /nfs/dbraw/zinc/21/96/35/1010219635.db2.gz LTYUBZXLACOYPQ-OAHLLOKOSA-N 0 2 412.515 3.877 20 0 HHADLN C[C@@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc([S@@](C)=O)cc1 ZINC000544635680 1010259436 /nfs/dbraw/zinc/25/94/36/1010259436.db2.gz AMKOPYMRUABIFL-DQQVXTMASA-N 0 2 420.947 3.901 20 0 HHADLN COC[C@@H](Cc1ccccc1)NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000544637292 1010261159 /nfs/dbraw/zinc/26/11/59/1010261159.db2.gz DBNMKUOCAIVRGE-CQSZACIVSA-N 0 2 402.907 3.660 20 0 HHADLN CCc1ccc([C@H](COC)NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)o1 ZINC000544638167 1010262469 /nfs/dbraw/zinc/26/24/69/1010262469.db2.gz WKIKBKFCNCFMMD-AWEZNQCLSA-N 0 2 406.895 3.945 20 0 HHADLN O=S(=O)(Nc1cc(F)c(F)c(F)c1)c1cc(Br)cc2c1OCC2 ZINC000544645681 1010270716 /nfs/dbraw/zinc/27/07/16/1010270716.db2.gz UQMBFVKVBJCBGM-UHFFFAOYSA-N 0 2 408.195 3.602 20 0 HHADLN COCCc1ccc(S(=O)(=O)Nc2nc(C3CCCC3)c(C(=O)OC)s2)cc1 ZINC000544667965 1010286235 /nfs/dbraw/zinc/28/62/35/1010286235.db2.gz GGMLNTWOHIDOAN-UHFFFAOYSA-N 0 2 424.544 3.577 20 0 HHADLN Cc1nc(CC(C)C)c(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)s1 ZINC000551040871 1010333507 /nfs/dbraw/zinc/33/35/07/1010333507.db2.gz CXBFCABTUMKENZ-UHFFFAOYSA-N 0 2 409.455 3.787 20 0 HHADLN COc1ccc(C[C@@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)c2ccc(OC)cc2)cc1 ZINC000544747230 1010351407 /nfs/dbraw/zinc/35/14/07/1010351407.db2.gz AQVOAXALUSUUEU-SCLBCKFNSA-N 0 2 417.449 3.858 20 0 HHADLN COc1cc([C@H](C)NS(=O)(=O)[C@H](C)C(F)(F)F)ccc1OCc1ccncc1 ZINC000544748969 1010352096 /nfs/dbraw/zinc/35/20/96/1010352096.db2.gz CMYXPAFOWRPJAC-QWHCGFSZSA-N 0 2 418.437 3.600 20 0 HHADLN CC(=O)Nc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])c(C)c1 ZINC000547629543 1010371534 /nfs/dbraw/zinc/37/15/34/1010371534.db2.gz JHJFBSFPEAJLLI-UHFFFAOYSA-N 0 2 417.365 3.681 20 0 HHADLN O=S(=O)(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1cnn(CC(F)F)c1 ZINC000551107711 1010373256 /nfs/dbraw/zinc/37/32/56/1010373256.db2.gz AJVHSQNUMUZBOX-UHFFFAOYSA-N 0 2 418.425 3.681 20 0 HHADLN Cc1nc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)ccc2o1 ZINC000547766032 1010419013 /nfs/dbraw/zinc/41/90/13/1010419013.db2.gz IMVIREQTGATMGI-UHFFFAOYSA-N 0 2 414.468 3.646 20 0 HHADLN Oc1c(Br)cccc1-c1nc(-c2ccc(N3CCOCC3)cc2)no1 ZINC000544886116 1010463636 /nfs/dbraw/zinc/46/36/36/1010463636.db2.gz FPGKDOFKBQZCJD-UHFFFAOYSA-N 0 2 402.248 3.708 20 0 HHADLN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1cc2nccnc2cc1F ZINC000548094725 1010528748 /nfs/dbraw/zinc/52/87/48/1010528748.db2.gz SRMLMNLJCQDGIM-UHFFFAOYSA-N 0 2 413.210 3.569 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)c2ccccc2n1C ZINC000551385448 1010552676 /nfs/dbraw/zinc/55/26/76/1010552676.db2.gz MTUJCVQKGDVEFX-UHFFFAOYSA-N 0 2 415.906 3.581 20 0 HHADLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000551466611 1010602384 /nfs/dbraw/zinc/60/23/84/1010602384.db2.gz STVKFQOFGCQYEL-UHFFFAOYSA-N 0 2 406.847 3.946 20 0 HHADLN CC(C)(C)c1nc2ccc(NS(=O)(=O)c3cnn(CC(F)F)c3)cc2s1 ZINC000551471179 1010607012 /nfs/dbraw/zinc/60/70/12/1010607012.db2.gz NDPBCQAPMRZHND-UHFFFAOYSA-N 0 2 400.476 3.856 20 0 HHADLN CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2N2C(=O)CCC2=O)c1 ZINC000551473696 1010608773 /nfs/dbraw/zinc/60/87/73/1010608773.db2.gz FYWZXZOEUCBTQC-UHFFFAOYSA-N 0 2 406.891 3.918 20 0 HHADLN COC(=O)c1csc(NS(=O)(=O)c2cccc(Br)c2Cl)c1 ZINC000551478156 1010612223 /nfs/dbraw/zinc/61/22/23/1010612223.db2.gz ZYCXDMLNGNNGKU-UHFFFAOYSA-N 0 2 410.698 3.751 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1cc(Cc2ccccc2)ccc1O ZINC000545123730 1010630344 /nfs/dbraw/zinc/63/03/44/1010630344.db2.gz QCJKGITZIRZQAL-UHFFFAOYSA-N 0 2 413.495 3.809 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000545150383 1010649961 /nfs/dbraw/zinc/64/99/61/1010649961.db2.gz XJXHECOAHSZJQM-UHFFFAOYSA-N 0 2 422.503 3.699 20 0 HHADLN CC(C)S(=O)(=O)c1ccc(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1 ZINC000521935527 1010723267 /nfs/dbraw/zinc/72/32/67/1010723267.db2.gz VQFOHYIKNWMKTH-UHFFFAOYSA-N 0 2 421.931 3.715 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(-c2ccncc2)ccc1C ZINC000522395298 1010978635 /nfs/dbraw/zinc/97/86/35/1010978635.db2.gz AQJNDWOXIXMPDF-UHFFFAOYSA-N 0 2 400.456 3.854 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc(C)c(Br)cc2C)n(-c2ccccn2)n1 ZINC000522695828 1011163160 /nfs/dbraw/zinc/16/31/60/1011163160.db2.gz ATYHCSMKMYWMIZ-UHFFFAOYSA-N 0 2 421.320 3.756 20 0 HHADLN CCNC(=O)c1cc(NS(=O)(=O)c2cccc3ccccc32)nc2ccccc21 ZINC000540651417 1011303539 /nfs/dbraw/zinc/30/35/39/1011303539.db2.gz AMHCJAQXODUJKH-UHFFFAOYSA-N 0 2 405.479 3.939 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)c(C)o1 ZINC000540651234 1011303606 /nfs/dbraw/zinc/30/36/06/1011303606.db2.gz QSUCBSPEXVQQOZ-UHFFFAOYSA-N 0 2 404.410 3.553 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000536181703 1011316787 /nfs/dbraw/zinc/31/67/87/1011316787.db2.gz SRMKGVKEZZOXLA-UHFFFAOYSA-N 0 2 411.405 3.939 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)c(C(F)(F)F)c2)cn1 ZINC000522880945 1011325388 /nfs/dbraw/zinc/32/53/88/1011325388.db2.gz BUWXCUBRFPQSCF-UHFFFAOYSA-N 0 2 417.331 3.664 20 0 HHADLN COc1ccc(OCCS(=O)(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)cc1 ZINC000540696846 1011349898 /nfs/dbraw/zinc/34/98/98/1011349898.db2.gz VLUNRVGPOJVBQA-UHFFFAOYSA-N 0 2 421.906 3.663 20 0 HHADLN O=S(=O)(c1cc(F)ccc1Cl)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000536250135 1011406507 /nfs/dbraw/zinc/40/65/07/1011406507.db2.gz WQITUCKOFZGNNL-HNNXBMFYSA-N 0 2 406.870 3.790 20 0 HHADLN CC(C)(C)C[C@@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccc(F)cc1 ZINC000523058709 1011528320 /nfs/dbraw/zinc/52/83/20/1011528320.db2.gz FBRDUNOVGWBMLL-CQSZACIVSA-N 0 2 406.527 3.629 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC000523123572 1011589134 /nfs/dbraw/zinc/58/91/34/1011589134.db2.gz QEJUKAOWHBNHQF-UHFFFAOYSA-N 0 2 409.407 3.585 20 0 HHADLN CC(C)[C@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccc(Cl)cc1F ZINC000541040104 1011676529 /nfs/dbraw/zinc/67/65/29/1011676529.db2.gz XVXLDJHGFAGABN-ZDUSSCGKSA-N 0 2 412.918 3.502 20 0 HHADLN CCCc1c(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cnn1-c1ccc(F)cc1 ZINC000541067541 1011705831 /nfs/dbraw/zinc/70/58/31/1011705831.db2.gz DKHZOZPXHNCSOA-UHFFFAOYSA-N 0 2 408.462 3.552 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)cnn1-c1ccccn1 ZINC000541125863 1011783491 /nfs/dbraw/zinc/78/34/91/1011783491.db2.gz LNVCOGUCLINOFZ-UHFFFAOYSA-N 0 2 422.457 3.832 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cnn1-c1ccccc1 ZINC000541165222 1011832892 /nfs/dbraw/zinc/83/28/92/1011832892.db2.gz QNDALCHIVYRVMH-UHFFFAOYSA-N 0 2 407.499 3.811 20 0 HHADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc4c(c3)CCCO4)s2)c(C)c1 ZINC000536766791 1011968253 /nfs/dbraw/zinc/96/82/53/1011968253.db2.gz INUZPQUZDVRLHO-UHFFFAOYSA-N 0 2 401.513 3.948 20 0 HHADLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1ccc(-c2cccc(OC(F)(F)F)c2)s1 ZINC000536809044 1012033336 /nfs/dbraw/zinc/03/33/36/1012033336.db2.gz BZJANKNJYATWEU-UHFFFAOYSA-N 0 2 412.393 3.500 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1csc(C2CC2)n1 ZINC000552002708 1012043101 /nfs/dbraw/zinc/04/31/01/1012043101.db2.gz BLZRWVKCTHWTGP-QGZVFWFLSA-N 0 2 410.543 3.873 20 0 HHADLN CC[C@H](CSC)N(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000536935767 1012226355 /nfs/dbraw/zinc/22/63/55/1012226355.db2.gz QVXXEDDPOWFEEP-CYBMUJFWSA-N 0 2 414.578 3.549 20 0 HHADLN COc1c(Br)c(C)sc1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552251936 1012262623 /nfs/dbraw/zinc/26/26/23/1012262623.db2.gz UCXGKWUHRORFLL-UHFFFAOYSA-N 0 2 409.265 3.571 20 0 HHADLN CC(C)COc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552287280 1012298765 /nfs/dbraw/zinc/29/87/65/1012298765.db2.gz DRUQZKMQCOCZIL-UHFFFAOYSA-N 0 2 418.457 3.650 20 0 HHADLN O=c1[nH]nc(CN2CCN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)[nH]1 ZINC000537034946 1012351100 /nfs/dbraw/zinc/35/11/00/1012351100.db2.gz HAXFJZMCKUJOPS-UHFFFAOYSA-N 0 2 418.328 3.724 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000523773009 1012412775 /nfs/dbraw/zinc/41/27/75/1012412775.db2.gz DXRHREQWTYQNOS-UHFFFAOYSA-N 0 2 410.503 3.591 20 0 HHADLN CC(C)Oc1cc(Br)ccc1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552605343 1012607217 /nfs/dbraw/zinc/60/72/17/1012607217.db2.gz ZXXFJYMRKGBPNU-UHFFFAOYSA-N 0 2 417.263 3.979 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)NCc2ccc(-n3cnc4ccccc43)cc2)s[nH]1 ZINC000523926468 1012652113 /nfs/dbraw/zinc/65/21/13/1012652113.db2.gz PMAZMOFNAKSETP-UHFFFAOYSA-N 0 2 406.515 3.918 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)s[nH]1 ZINC000524096775 1012869892 /nfs/dbraw/zinc/86/98/92/1012869892.db2.gz WDFKLTPKSMANMJ-INIZCTEOSA-N 0 2 414.575 3.857 20 0 HHADLN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ncc(C2CCCCC2)s1 ZINC000542003424 1012884255 /nfs/dbraw/zinc/88/42/55/1012884255.db2.gz PVVPFDIOLBCFPK-UHFFFAOYSA-N 0 2 414.574 3.704 20 0 HHADLN O=C(NCc1ccc(-c2nc(-c3ccc(Br)cc3)no2)o1)C(F)(F)F ZINC000904709476 1071863504 /nfs/dbraw/zinc/86/35/04/1071863504.db2.gz SRDLSZHTXQKVOR-UHFFFAOYSA-N 0 2 416.153 3.938 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)c(OC)c1 ZINC000488226937 1072148172 /nfs/dbraw/zinc/14/81/72/1072148172.db2.gz CTKPEFNNMDOWEF-UHFFFAOYSA-N 0 2 418.471 3.785 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c(OC)c1 ZINC000488246720 1072163455 /nfs/dbraw/zinc/16/34/55/1072163455.db2.gz URYAYXUUVKXBSR-UHFFFAOYSA-N 0 2 420.487 3.952 20 0 HHADLN CCCCc1noc(COC(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)n1 ZINC000913377204 1072384987 /nfs/dbraw/zinc/38/49/87/1072384987.db2.gz XJPKZCJJGXVFNZ-UHFFFAOYSA-N 0 2 410.352 3.679 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCC[C@H]3C)ccc2F)cc1 ZINC000913419165 1072391366 /nfs/dbraw/zinc/39/13/66/1072391366.db2.gz VRYTVVOOKMYLBA-CQSZACIVSA-N 0 2 406.479 3.650 20 0 HHADLN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3cc(F)c(F)cc3F)cc2F)C[C@H](C)O1 ZINC000729835634 1072404625 /nfs/dbraw/zinc/40/46/25/1072404625.db2.gz GTEQWHGMDGCZRU-PHIMTYICSA-N 0 2 418.412 3.657 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)Cc1ccc(C)c(OC)c1 ZINC000571492953 1072640290 /nfs/dbraw/zinc/64/02/90/1072640290.db2.gz CQNKAVSBPADXFM-NRFANRHFSA-N 0 2 421.541 3.785 20 0 HHADLN CC(C)(C)OC(=O)c1ccc(CS(=O)(=O)c2n[nH]c(-c3ccccc3F)n2)cc1 ZINC000571746824 1072717779 /nfs/dbraw/zinc/71/77/79/1072717779.db2.gz ZKMAEXUMOYUIBC-UHFFFAOYSA-N 0 2 417.462 3.540 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3nc4c(cccc4Cl)s3)c(F)cc2N1 ZINC000479125658 1072735924 /nfs/dbraw/zinc/73/59/24/1072735924.db2.gz ASORFUUHUKTPHL-UHFFFAOYSA-N 0 2 411.867 3.774 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(N(C)C)c1 ZINC000479126688 1072736865 /nfs/dbraw/zinc/73/68/65/1072736865.db2.gz JZQDJLMTCYIEBZ-UHFFFAOYSA-N 0 2 403.287 3.647 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1nc2c(cccc2Cl)s1 ZINC000479120856 1072758484 /nfs/dbraw/zinc/75/84/84/1072758484.db2.gz WCNCSPPKKJFIKK-UHFFFAOYSA-N 0 2 400.865 3.747 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2cccnc2C(F)(F)F)c1 ZINC000572038002 1073116892 /nfs/dbraw/zinc/11/68/92/1073116892.db2.gz FLDYARPUXJBHIF-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN COc1cc(F)c(F)cc1NS(=O)(=O)c1ccc(NC(C)=O)c2ccccc21 ZINC000555126739 1073193635 /nfs/dbraw/zinc/19/36/35/1073193635.db2.gz AUZZAMOVCDBOPQ-UHFFFAOYSA-N 0 2 406.410 3.886 20 0 HHADLN O=C(Nc1ccc2c[nH]nc2c1)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 ZINC000588833151 1073317404 /nfs/dbraw/zinc/31/74/04/1073317404.db2.gz WRXMIOFIEYLGBN-UHFFFAOYSA-N 0 2 410.430 3.755 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1cc(C)n(CC)c1C ZINC000555295308 1073326098 /nfs/dbraw/zinc/32/60/98/1073326098.db2.gz KRFUDYBCFIBTBH-FQEVSTJZSA-N 0 2 408.546 3.978 20 0 HHADLN COc1cc(C(=O)N=c2nc(C(C)(C)C)[nH]s2)ccc1OCc1cscn1 ZINC000589937652 1073422493 /nfs/dbraw/zinc/42/24/93/1073422493.db2.gz YBYOXUZKDCNDHM-UHFFFAOYSA-N 0 2 404.517 3.554 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc43)C2)s[nH]1 ZINC000589937614 1073422524 /nfs/dbraw/zinc/42/25/24/1073422524.db2.gz UWKCOZLTMTVDNV-MRXNPFEDSA-N 0 2 422.554 3.902 20 0 HHADLN O=C(Cc1ccc(NS(=O)(=O)c2ccccc2F)cc1)Nc1ccccc1F ZINC000590263321 1073718757 /nfs/dbraw/zinc/71/87/57/1073718757.db2.gz FAEVGSXVQRUSMM-UHFFFAOYSA-N 0 2 402.422 3.947 20 0 HHADLN COc1cc(C(C)=O)ccc1OCCCC(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000590404582 1073788610 /nfs/dbraw/zinc/78/86/10/1073788610.db2.gz HWSDENMIYUMOCA-UHFFFAOYSA-N 0 2 412.421 3.620 20 0 HHADLN Cc1cc(C)cc(C(=O)N2CCC[C@H](C(=O)Nc3nc(-c4ccccc4F)n[nH]3)C2)c1 ZINC000590405520 1073789797 /nfs/dbraw/zinc/78/97/97/1073789797.db2.gz TZCJRPPFGMOWIT-INIZCTEOSA-N 0 2 421.476 3.719 20 0 HHADLN CC(C)(C)OC(=O)N1CCC2(CC1)COCC[N@@H+]2Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142647165 1073863219 /nfs/dbraw/zinc/86/32/19/1073863219.db2.gz QNOUCPXEQONRPR-UHFFFAOYSA-N 0 2 424.925 3.640 20 0 HHADLN CC(C)(C)OC(=O)N1CCC2(CC1)COCC[N@H+]2Cc1ccc(Cl)cc1C(=O)[O-] ZINC001142647165 1073863230 /nfs/dbraw/zinc/86/32/30/1073863230.db2.gz QNOUCPXEQONRPR-UHFFFAOYSA-N 0 2 424.925 3.640 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)CCOc3ccc(F)c(Cl)c3)s[nH]2)c1 ZINC000590552863 1073890368 /nfs/dbraw/zinc/89/03/68/1073890368.db2.gz GRKBHBXPYFFIIC-UHFFFAOYSA-N 0 2 407.854 3.836 20 0 HHADLN CCc1cnc(NS(=O)(=O)c2ccc(Br)cc2Br)o1 ZINC000679204095 1074128937 /nfs/dbraw/zinc/12/89/37/1074128937.db2.gz QDQFTCXZQXNWDU-UHFFFAOYSA-N 0 2 410.087 3.563 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nnc(C3CC3)s2)cc1)c1ccc(F)cc1 ZINC000568587751 1074177449 /nfs/dbraw/zinc/17/74/49/1074177449.db2.gz QNILRWORPXKIQM-UHFFFAOYSA-N 0 2 418.475 3.608 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cccnc2OCc2ccccc2)cc1OC ZINC000591682484 1074486840 /nfs/dbraw/zinc/48/68/40/1074486840.db2.gz AHRPOBMCYMOXIX-UHFFFAOYSA-N 0 2 418.446 3.618 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)N3CCC(CC(C)C)CC3)cc2[nH]c1=S ZINC000760941330 1074703190 /nfs/dbraw/zinc/70/31/90/1074703190.db2.gz RTKOMYOASAOMIE-UHFFFAOYSA-N 0 2 417.575 3.620 20 0 HHADLN O=C(c1ccc(O)cc1)C1CCN(C(=O)c2cccc(Br)c2O)CC1 ZINC000592829097 1075116133 /nfs/dbraw/zinc/11/61/33/1075116133.db2.gz TWAPYCRAKSOAJO-UHFFFAOYSA-N 0 2 404.260 3.595 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1ccccc1 ZINC000594861267 1075370019 /nfs/dbraw/zinc/37/00/19/1075370019.db2.gz KTKCVFOLANXDCX-UHFFFAOYSA-N 0 2 421.526 3.999 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3ccccc3C)o2)sc1Br ZINC000574872036 1075399075 /nfs/dbraw/zinc/39/90/75/1075399075.db2.gz AOYOJVZQWSIJRI-UHFFFAOYSA-N 0 2 414.306 3.978 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)Cc1ccc(F)c(F)c1 ZINC000575038911 1075447522 /nfs/dbraw/zinc/44/75/22/1075447522.db2.gz RMMDMQOWRLTYNM-GOSISDBHSA-N 0 2 413.468 3.747 20 0 HHADLN CC(C)OC[C@@H](OC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O)c1cccc(F)c1 ZINC000761169114 1075556668 /nfs/dbraw/zinc/55/66/68/1075556668.db2.gz LAURLGJBLACEJI-GOSISDBHSA-N 0 2 416.474 3.684 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cnn(Cc2ccccc2Cl)c1 ZINC000596898272 1075594510 /nfs/dbraw/zinc/59/45/10/1075594510.db2.gz DKZZEFJXOMMJFH-UHFFFAOYSA-N 0 2 401.904 3.839 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)sc1Cc1ccccc1 ZINC000669605753 1075641280 /nfs/dbraw/zinc/64/12/80/1075641280.db2.gz DPDLOXCNHDOFFM-UHFFFAOYSA-N 0 2 415.540 3.545 20 0 HHADLN O=c1nc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)[nH]c2ccsc21 ZINC000301606362 970999189 /nfs/dbraw/zinc/99/91/89/970999189.db2.gz RJAQNNDKTKUQTP-UHFFFAOYSA-N 0 2 408.468 3.524 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCSc4c(F)cccc43)cc2[nH]c1=S ZINC000302857496 971357624 /nfs/dbraw/zinc/35/76/24/971357624.db2.gz OBLKRAYZUIAORI-OAHLLOKOSA-N 0 2 415.515 3.811 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1cccc2ncccc21 ZINC000303256049 971583993 /nfs/dbraw/zinc/58/39/93/971583993.db2.gz DFNZOKOJCRQEHV-HNNXBMFYSA-N 0 2 402.447 3.733 20 0 HHADLN CNC(=O)c1ccc(S(=O)(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1 ZINC000524298376 1013110634 /nfs/dbraw/zinc/11/06/34/1013110634.db2.gz FCHLEUJDVNGRCB-UHFFFAOYSA-N 0 2 421.931 3.548 20 0 HHADLN CC(C)c1nc(-c2ccccc2NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)n[nH]1 ZINC000303722882 971977260 /nfs/dbraw/zinc/97/72/60/971977260.db2.gz SCOCBKCFUFYFCE-UHFFFAOYSA-N 0 2 418.545 3.595 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000524320474 1013138655 /nfs/dbraw/zinc/13/86/55/1013138655.db2.gz SEWAUKIIUAJNND-UHFFFAOYSA-N 0 2 421.393 3.733 20 0 HHADLN CCn1c(SCC(=O)N=c2nc(C(C)(C)C)[nH]s2)nnc1-c1ccccc1C ZINC000524333937 1013155512 /nfs/dbraw/zinc/15/55/12/1013155512.db2.gz ZEXWJYNAVVCCBY-UHFFFAOYSA-N 0 2 416.576 3.575 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC000542234469 1013190375 /nfs/dbraw/zinc/19/03/75/1013190375.db2.gz ITOPTRROXYLACJ-UHFFFAOYSA-N 0 2 421.954 3.855 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2nc3ccc(OCC)cc3s2)cc1 ZINC000007055009 960997499 /nfs/dbraw/zinc/99/74/99/960997499.db2.gz KOXQXMSQUMDXEM-UHFFFAOYSA-N 0 2 406.485 3.673 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1C(F)(F)F ZINC000008053040 961410592 /nfs/dbraw/zinc/41/05/92/961410592.db2.gz PAUSDUSDFWSXMX-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(-c3ccccc3Cl)o2)C1=O ZINC000010802493 961917103 /nfs/dbraw/zinc/91/71/03/961917103.db2.gz VWTGUMIFAVONDC-NRFANRHFSA-N 0 2 409.829 3.712 20 0 HHADLN CCONC(=O)CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1 ZINC000011202882 962030769 /nfs/dbraw/zinc/03/07/69/962030769.db2.gz ORKGROQVSWXKDX-UHFFFAOYSA-N 0 2 412.515 3.623 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CSc4nnc5ccccn54)nc(=O)c3s2)cc1 ZINC000012722573 962321178 /nfs/dbraw/zinc/32/11/78/962321178.db2.gz BLVMUAZNFNXHNA-UHFFFAOYSA-N 0 2 421.507 3.995 20 0 HHADLN O=C([O-])c1cccnc1N1CC[NH+](C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013211367 962376282 /nfs/dbraw/zinc/37/62/82/962376282.db2.gz IMTRXESFCUHSGN-UHFFFAOYSA-N 0 2 409.436 3.970 20 0 HHADLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccccc1Br ZINC000014120915 962426649 /nfs/dbraw/zinc/42/66/49/962426649.db2.gz FTUHCNQDALFDEZ-UHFFFAOYSA-N 0 2 406.305 3.800 20 0 HHADLN Cc1sc2ncn(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)c(=O)c2c1C ZINC000014282361 962460658 /nfs/dbraw/zinc/46/06/58/962460658.db2.gz SCLFXQZRUYPXNR-UHFFFAOYSA-N 0 2 400.847 3.767 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cnc(OCC2CC2)c(Cl)c1 ZINC000542446022 1013395165 /nfs/dbraw/zinc/39/51/65/1013395165.db2.gz KQHJLBDRAMSWOZ-UHFFFAOYSA-N 0 2 405.792 3.839 20 0 HHADLN Cc1cc(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)on1 ZINC000025130964 964188203 /nfs/dbraw/zinc/18/82/03/964188203.db2.gz HZSOXQYIOTWQPU-UHFFFAOYSA-N 0 2 409.826 3.829 20 0 HHADLN C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000553645723 1013517920 /nfs/dbraw/zinc/51/79/20/1013517920.db2.gz CMRKYRROBIXPOO-AWEZNQCLSA-N 0 2 414.868 3.721 20 0 HHADLN CC(C)S(=O)(=O)Cc1ccc(NS(=O)(=O)c2cccc3c2N=S=N3)cc1 ZINC000052025274 964785297 /nfs/dbraw/zinc/78/52/97/964785297.db2.gz MRHJCESRZYFVEM-UHFFFAOYSA-N 0 2 411.530 3.537 20 0 HHADLN O=C(CSc1nnc(NCc2ccc(F)cc2)s1)NOCc1ccccc1 ZINC000053010184 965039731 /nfs/dbraw/zinc/03/97/31/965039731.db2.gz RUTVGBIKNRZKNG-UHFFFAOYSA-N 0 2 404.492 3.629 20 0 HHADLN CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(Cl)nc3)sc2C)cc1 ZINC000057721161 965531538 /nfs/dbraw/zinc/53/15/38/965531538.db2.gz RBKLTAKJDXIWCV-UHFFFAOYSA-N 0 2 409.920 3.788 20 0 HHADLN Cc1csc(C(C#N)C(=O)CSc2nnc(C(C)C)n2Cc2ccco2)n1 ZINC000029964419 965576507 /nfs/dbraw/zinc/57/65/07/965576507.db2.gz YSNPMRIMEZALCZ-AWEZNQCLSA-N 0 2 401.517 3.776 20 0 HHADLN Cc1ccc(C(=O)c2ccccc2C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1 ZINC000030032325 965605132 /nfs/dbraw/zinc/60/51/32/965605132.db2.gz JYGITBDNUGTJQB-UHFFFAOYSA-N 0 2 417.490 3.796 20 0 HHADLN COc1ccc(-c2nc(S[C@@H](C)C(=O)NC3CCCCC3)[nH]c(=O)c2C#N)cc1 ZINC000054749337 965631442 /nfs/dbraw/zinc/63/14/42/965631442.db2.gz NPCIRRSFYNPWOK-ZDUSSCGKSA-N 0 2 412.515 3.659 20 0 HHADLN O=C(Nc1ccc(Cl)c(C(=O)NCc2ccccc2F)c1)c1ccc2[nH]nnc2c1 ZINC000058354110 965704316 /nfs/dbraw/zinc/70/43/16/965704316.db2.gz QYQKGCZFDXOGNR-UHFFFAOYSA-N 0 2 423.835 3.933 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)[C@@H]1CCCO1 ZINC000030531823 965720216 /nfs/dbraw/zinc/72/02/16/965720216.db2.gz ZUAAYMFTPODBRP-HNNXBMFYSA-N 0 2 415.298 3.912 20 0 HHADLN COc1ccc(-c2nc(SCc3cc(-c4ccco4)on3)[nH]c(=O)c2C#N)cc1 ZINC000030587756 965737469 /nfs/dbraw/zinc/73/74/69/965737469.db2.gz MKBHOBBLRJWLQX-UHFFFAOYSA-N 0 2 406.423 3.857 20 0 HHADLN CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1Br ZINC000058495282 965756357 /nfs/dbraw/zinc/75/63/57/965756357.db2.gz MBSXSODFEJECKQ-UHFFFAOYSA-N 0 2 403.685 3.862 20 0 HHADLN CCCCCC/N=C1\NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1 ZINC000055117491 965760211 /nfs/dbraw/zinc/76/02/11/965760211.db2.gz LEXRIBNHTXBVFB-CQSZACIVSA-N 0 2 412.353 3.946 20 0 HHADLN CCOc1ccc(CCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1 ZINC000055140764 965765831 /nfs/dbraw/zinc/76/58/31/965765831.db2.gz LGUOUEXRSCADIK-UHFFFAOYSA-N 0 2 408.454 3.651 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(CCCO)[C@H]3CCc4ccccc43)s[nH]2)c1 ZINC000542688856 1013608290 /nfs/dbraw/zinc/60/82/90/1013608290.db2.gz SBQWDHJPLAMFFE-IBGZPJMESA-N 0 2 424.526 3.539 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)cn1 ZINC000055556321 965914276 /nfs/dbraw/zinc/91/42/76/965914276.db2.gz YDAVMWVFBPLGPS-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCc3coc(-c4cccs4)n3)s[nH]2)c1 ZINC000542692532 1013611108 /nfs/dbraw/zinc/61/11/08/1013611108.db2.gz WRUVTETUYPKWGQ-UHFFFAOYSA-N 0 2 413.484 3.674 20 0 HHADLN CC(C)Oc1ccc(S(=O)(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c2ccccc12 ZINC000055630699 965975743 /nfs/dbraw/zinc/97/57/43/965975743.db2.gz LPRVGNJPATUXMB-KRWDZBQOSA-N 0 2 415.515 3.803 20 0 HHADLN CC[C@H](C)Oc1cc(CNC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)ccn1 ZINC000542696635 1013614735 /nfs/dbraw/zinc/61/47/35/1013614735.db2.gz WLTBBXIJBLGJTO-ZDUSSCGKSA-N 0 2 413.503 3.530 20 0 HHADLN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NS(=O)(=O)c1ccc(F)cc1F ZINC000055651301 965996571 /nfs/dbraw/zinc/99/65/71/965996571.db2.gz ZFJZDAVVPNEJBP-UHFFFAOYSA-N 0 2 408.470 3.946 20 0 HHADLN CN(C(=O)Cc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1)c1ccccc1 ZINC000055651955 965998058 /nfs/dbraw/zinc/99/80/58/965998058.db2.gz XPNCUJYWROKQSO-UHFFFAOYSA-N 0 2 416.449 3.971 20 0 HHADLN O=S(=O)(Nc1cnn(Cc2ccccc2)c1)c1ccc(F)cc1Br ZINC000055663673 966007204 /nfs/dbraw/zinc/00/72/04/966007204.db2.gz GWAKXOUNJIQZMG-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN O=S(=O)(Nc1cccc(OCc2cscn2)c1)c1ccc(F)c(F)c1F ZINC000060374255 966119386 /nfs/dbraw/zinc/11/93/86/966119386.db2.gz PPVCCAOBHMYGDP-UHFFFAOYSA-N 0 2 400.403 3.940 20 0 HHADLN C[C@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)[C@H]1COc2ccccc21 ZINC000542726355 1013638265 /nfs/dbraw/zinc/63/82/65/1013638265.db2.gz AYYGBGKYKKBMAB-SMDDNHRTSA-N 0 2 400.891 3.967 20 0 HHADLN COc1ccc(CCNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc1OC ZINC000542727492 1013640188 /nfs/dbraw/zinc/64/01/88/1013640188.db2.gz HBCWEBNFTAJSIR-UHFFFAOYSA-N 0 2 418.906 3.662 20 0 HHADLN O=c1nc(CN2CCN(CC(F)F)CC2)[nH]c2cc(-c3ccc(F)cc3)sc21 ZINC000060907618 966323324 /nfs/dbraw/zinc/32/33/24/966323324.db2.gz ZZGLWOARMJAHCN-UHFFFAOYSA-N 0 2 408.449 3.586 20 0 HHADLN N#CC(C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1nc2ccccc2s1 ZINC000041498573 966581224 /nfs/dbraw/zinc/58/12/24/966581224.db2.gz PWVGAXOJBKZCDB-MSOLQXFVSA-N 0 2 403.507 3.954 20 0 HHADLN N#C[C@@H](C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1nc2ccccc2s1 ZINC000041498573 966581241 /nfs/dbraw/zinc/58/12/41/966581241.db2.gz PWVGAXOJBKZCDB-MSOLQXFVSA-N 0 2 403.507 3.954 20 0 HHADLN Cc1csc([C@@H](C#N)C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)n1 ZINC000041519159 966584466 /nfs/dbraw/zinc/58/44/66/966584466.db2.gz RREATJLOWXVECX-MFKMUULPSA-N 0 2 412.540 3.683 20 0 HHADLN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C1 ZINC000553868509 1013666921 /nfs/dbraw/zinc/66/69/21/1013666921.db2.gz VDAIAHSPVDVPBK-CHWSQXEVSA-N 0 2 406.939 3.504 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)NCCCC3CCCCC3)cc2[nH]c1=S ZINC000042071563 966704555 /nfs/dbraw/zinc/70/45/55/966704555.db2.gz PMIXTNDVVARHJE-UHFFFAOYSA-N 0 2 417.575 3.812 20 0 HHADLN CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000063181049 966769221 /nfs/dbraw/zinc/76/92/21/966769221.db2.gz NARLBSIKLZHLSH-UHFFFAOYSA-N 0 2 403.378 3.692 20 0 HHADLN CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1C ZINC000063181160 966769350 /nfs/dbraw/zinc/76/93/50/966769350.db2.gz PNEJVLHPKNKSHT-UHFFFAOYSA-N 0 2 419.478 3.558 20 0 HHADLN CCc1ccsc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 ZINC000064670622 967266312 /nfs/dbraw/zinc/26/63/12/967266312.db2.gz BHZDURNWHWQCAI-UHFFFAOYSA-N 0 2 416.528 3.770 20 0 HHADLN O=C(CCc1ccc(Cl)s1)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000044981182 967322476 /nfs/dbraw/zinc/32/24/76/967322476.db2.gz KUBVJEJVYXBYIP-UHFFFAOYSA-N 0 2 404.875 3.967 20 0 HHADLN CSc1[nH]c(=O)c(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)cc1C#N ZINC000065104084 967377625 /nfs/dbraw/zinc/37/76/25/967377625.db2.gz ZLWQTSSQQAKNJN-UHFFFAOYSA-N 0 2 405.483 3.833 20 0 HHADLN CN(C)c1cccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)n1 ZINC000542865931 1013719866 /nfs/dbraw/zinc/71/98/66/1013719866.db2.gz ZQSMJWLZQXOIGC-UHFFFAOYSA-N 0 2 424.242 3.730 20 0 HHADLN C[C@H]1CC[C@@]2(CCN(C(=O)Nc3cccc(S(=O)(=O)Nc4nccs4)c3)C2)C1 ZINC000542899705 1013742838 /nfs/dbraw/zinc/74/28/38/1013742838.db2.gz ANTIOLWTRILRJS-IFXJQAMLSA-N 0 2 420.560 3.988 20 0 HHADLN CC1(C(=O)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)COC1 ZINC000542944797 1013777547 /nfs/dbraw/zinc/77/75/47/1013777547.db2.gz BBTCIOHGOCFGSU-UHFFFAOYSA-N 0 2 415.298 3.769 20 0 HHADLN O=C(NNC(=O)c1ccc(-c2cnco2)cc1)c1ccc(COc2ccccc2)o1 ZINC000047817120 968331710 /nfs/dbraw/zinc/33/17/10/968331710.db2.gz XOZNMIGWJVBYTI-UHFFFAOYSA-N 0 2 403.394 3.588 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N3CCC(CN4CCc5ccccc54)CC3)c[nH]c2n1 ZINC000554144004 1013820651 /nfs/dbraw/zinc/82/06/51/1013820651.db2.gz GFKYJNJFVAQVRK-UHFFFAOYSA-N 0 2 402.498 3.559 20 0 HHADLN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1c(O)cc(F)cc1F ZINC000066042041 968780309 /nfs/dbraw/zinc/78/03/09/968780309.db2.gz LRBCXVPJGRBCEV-UHFFFAOYSA-N 0 2 402.319 3.790 20 0 HHADLN O=C(c1c(O)cc(F)cc1F)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000066044587 968780460 /nfs/dbraw/zinc/78/04/60/968780460.db2.gz CUDSJRANBGFFGF-UHFFFAOYSA-N 0 2 416.346 3.527 20 0 HHADLN Cc1ccc(N2C(=O)C[C@H](C(=O)NO[C@@H]3CCCCO3)[C@@H]2c2cccs2)cc1 ZINC000072059899 968966405 /nfs/dbraw/zinc/96/64/05/968966405.db2.gz MWMTZDOWORVRRA-PWIZWCRZSA-N 0 2 400.500 3.725 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(OCC)cc2)nc1C(F)(F)F ZINC000096760777 969050986 /nfs/dbraw/zinc/05/09/86/969050986.db2.gz FQRUEDBYIPSAII-UHFFFAOYSA-N 0 2 424.422 3.538 20 0 HHADLN Cc1ncccc1NS(=O)(=O)c1ccc(Br)cc1Br ZINC000097992113 969182957 /nfs/dbraw/zinc/18/29/57/969182957.db2.gz ZDFPACVYAACFPN-UHFFFAOYSA-N 0 2 406.099 3.716 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)C3)ccc2F)cc1 ZINC000098066443 969188167 /nfs/dbraw/zinc/18/81/67/969188167.db2.gz YOGMMDIOUXTWNI-CQSZACIVSA-N 0 2 406.479 3.507 20 0 HHADLN COc1ccc(F)cc1C(=O)Nn1cnc2sc(C)c(-c3ccccc3)c2c1=O ZINC000105541458 969245795 /nfs/dbraw/zinc/24/57/95/969245795.db2.gz QRVGKJAIPBBBAX-UHFFFAOYSA-N 0 2 409.442 3.965 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1ccc(Cl)nc1Cl ZINC000110210471 969637516 /nfs/dbraw/zinc/63/75/16/969637516.db2.gz WBULQVCSWMJZGW-LBPRGKRZSA-N 0 2 413.286 3.917 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3cccc(N4CCCCC4=O)c3)cc2[nH]c1=S ZINC000138084555 969982118 /nfs/dbraw/zinc/98/21/18/969982118.db2.gz MJBRGSJZEULNTI-UHFFFAOYSA-N 0 2 422.510 3.848 20 0 HHADLN Cc1cc(Br)cnc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000225223298 970106215 /nfs/dbraw/zinc/10/62/15/970106215.db2.gz DJZZATXTHBWWDR-UHFFFAOYSA-N 0 2 424.089 3.855 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)OC[C@@H](C#N)Cc3ccc(F)cc3)cc2[nH]c1=S ZINC000143427424 970195795 /nfs/dbraw/zinc/19/57/95/970195795.db2.gz ZQQRQQYMVPLGRI-CQSZACIVSA-N 0 2 411.458 3.757 20 0 HHADLN O=C(NCc1ccccc1Cl)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000146513722 970294314 /nfs/dbraw/zinc/29/43/14/970294314.db2.gz CRPMOYAMUQMLRF-UHFFFAOYSA-N 0 2 407.904 3.527 20 0 HHADLN O=C([O-])C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000238010902 970418710 /nfs/dbraw/zinc/41/87/10/970418710.db2.gz XHZBOZORRQDFRL-KRWDZBQOSA-N 0 2 419.359 3.717 20 0 HHADLN Cc1nc2ccccc2n1CCCOC(=O)c1ccc2c(c1)[nH]c(=S)n(C)c2=O ZINC000150191748 970434045 /nfs/dbraw/zinc/43/40/45/970434045.db2.gz XLKBXZPTPRLPCN-UHFFFAOYSA-N 0 2 408.483 3.501 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N[C@@H](c3ccccc3)c3ccncc3)cc2[nH]c1=S ZINC000249680071 970530249 /nfs/dbraw/zinc/53/02/49/970530249.db2.gz AEKWAOHHGMQMCE-FQEVSTJZSA-N 0 2 416.506 3.620 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cn1 ZINC000261411881 970660472 /nfs/dbraw/zinc/66/04/72/970660472.db2.gz RQDSPACPPFWEBU-UHFFFAOYSA-N 0 2 402.442 3.713 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000554726038 1014032306 /nfs/dbraw/zinc/03/23/06/1014032306.db2.gz QOKYBXPCQYCWOR-UHFFFAOYSA-N 0 2 422.295 3.997 20 0 HHADLN COc1ccc(Br)cc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000314932861 972642636 /nfs/dbraw/zinc/64/26/36/972642636.db2.gz JERSKBWOCVNCOW-UHFFFAOYSA-N 0 2 403.323 3.594 20 0 HHADLN O=S(=O)(Nc1ccc(Br)c(C(F)(F)F)c1)c1cnc(Cl)nc1 ZINC000316590487 972650919 /nfs/dbraw/zinc/65/09/19/972650919.db2.gz GRJZAHMVVJYIPE-UHFFFAOYSA-N 0 2 416.606 3.712 20 0 HHADLN Cc1sc(Br)cc1S(=O)(=O)Nc1cccnc1N1CCCC1 ZINC000316958554 972653374 /nfs/dbraw/zinc/65/33/74/972653374.db2.gz HIDFMALJKYMONO-UHFFFAOYSA-N 0 2 402.339 3.615 20 0 HHADLN Cc1nc(Cl)ccc1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000318060241 972658978 /nfs/dbraw/zinc/65/89/78/972658978.db2.gz DDCHODSMVSWCLK-UHFFFAOYSA-N 0 2 406.645 3.515 20 0 HHADLN N#Cc1ccc(NS(=O)(=O)c2cncc(Br)c2)c(C(F)(F)F)c1 ZINC000320611274 972684002 /nfs/dbraw/zinc/68/40/02/972684002.db2.gz AVMBUCHDQPERBE-UHFFFAOYSA-N 0 2 406.183 3.535 20 0 HHADLN O=S(=O)(Nc1cccc(Cn2cccn2)c1)c1ccc(Br)cc1F ZINC000325931832 972736228 /nfs/dbraw/zinc/73/62/28/972736228.db2.gz HURWDMGXRQFIEY-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN Cc1ccc(I)cc1NS(=O)(=O)c1cc(F)ccc1F ZINC000380438979 972776616 /nfs/dbraw/zinc/77/66/16/972776616.db2.gz NLFUMKZHKQCGEI-UHFFFAOYSA-N 0 2 409.195 3.679 20 0 HHADLN CC1(C)CN(C(=O)c2ccc(Br)cc2O)CCN1Cc1ccccc1 ZINC000383076880 972790433 /nfs/dbraw/zinc/79/04/33/972790433.db2.gz ZSXZCSRWWSDSOU-UHFFFAOYSA-N 0 2 403.320 3.891 20 0 HHADLN COC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1cccc(Br)c1 ZINC000386025688 972796380 /nfs/dbraw/zinc/79/63/80/972796380.db2.gz UIXLDTZMSNLIAD-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN CCOC(=O)c1ccsc1NS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000386150752 972797908 /nfs/dbraw/zinc/79/79/08/972797908.db2.gz ASWZKFJPAVVGPZ-UHFFFAOYSA-N 0 2 404.307 3.797 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(C)cc1Br ZINC000389533389 972813723 /nfs/dbraw/zinc/81/37/23/972813723.db2.gz IZTUDXFIBURXDK-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2c(Cl)cccc2Br)ccc1F ZINC000391897032 972845683 /nfs/dbraw/zinc/84/56/83/972845683.db2.gz FCJWOUOLVRILMK-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN Cc1ccc(F)cc1S(=O)(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000409458206 972904714 /nfs/dbraw/zinc/90/47/14/972904714.db2.gz ZTIUHBWXJDYSFS-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2ncc(Cc3ccc(C)c(C)c3)s2)c1 ZINC000409500909 972952794 /nfs/dbraw/zinc/95/27/94/972952794.db2.gz LFMJODDLADYWOJ-UHFFFAOYSA-N 0 2 416.524 3.938 20 0 HHADLN COCCOc1cc(OC)ccc1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000409504818 972957144 /nfs/dbraw/zinc/95/71/44/972957144.db2.gz UROVBQJXQIFQAN-UHFFFAOYSA-N 0 2 419.890 3.567 20 0 HHADLN COCc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cc1 ZINC000409542297 972998604 /nfs/dbraw/zinc/99/86/04/972998604.db2.gz GIVVBGHZAGKKEB-UHFFFAOYSA-N 0 2 405.227 3.772 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)n(-c2ccccc2F)n1 ZINC000409598580 973046928 /nfs/dbraw/zinc/04/69/28/973046928.db2.gz HRABLPBBZRAGLE-UHFFFAOYSA-N 0 2 422.441 3.840 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3c(F)cccc3F)s2)c1 ZINC000409666961 973124697 /nfs/dbraw/zinc/12/46/97/973124697.db2.gz QOPLBPRLTUXLDU-UHFFFAOYSA-N 0 2 424.450 3.600 20 0 HHADLN COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2O)cc1 ZINC000409898237 973361529 /nfs/dbraw/zinc/36/15/29/973361529.db2.gz XNWYFWBXUZJHOQ-INIZCTEOSA-N 0 2 409.269 3.951 20 0 HHADLN CCOc1cccc(S(=O)(=O)Nc2c(C)cnn2Cc2cc(F)ccc2F)c1 ZINC000410325197 973880326 /nfs/dbraw/zinc/88/03/26/973880326.db2.gz HMDNGMVEHCVNJP-UHFFFAOYSA-N 0 2 407.442 3.718 20 0 HHADLN CC(=O)Nc1ccc2nc(NS(=O)(=O)c3cccc4c3OC(C)(C)C4)sc2c1 ZINC000410334512 973911827 /nfs/dbraw/zinc/91/18/27/973911827.db2.gz WBGMXEKPOYSXGY-UHFFFAOYSA-N 0 2 417.512 3.769 20 0 HHADLN CCc1c(NS(=O)(=O)Cc2ccccc2Cl)nnn1Cc1ccc(F)cc1 ZINC000410342264 973927743 /nfs/dbraw/zinc/92/77/43/973927743.db2.gz GCEKDZOFELOUJV-UHFFFAOYSA-N 0 2 408.886 3.623 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1OC ZINC000410352987 973944630 /nfs/dbraw/zinc/94/46/30/973944630.db2.gz JVVAADWHXTTWPM-UHFFFAOYSA-N 0 2 404.257 3.796 20 0 HHADLN CCOc1cccc(S(=O)(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)n2)c1 ZINC000410354079 973945968 /nfs/dbraw/zinc/94/59/68/973945968.db2.gz NFWUWVRMBDRFAX-UHFFFAOYSA-N 0 2 412.467 3.719 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)cn1 ZINC000410357152 973948900 /nfs/dbraw/zinc/94/89/00/973948900.db2.gz YJAXUPMRQXGXPN-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN O=S(=O)(Nc1cnc(-c2ccccc2)nc1)c1cccc(Br)c1F ZINC000410366133 973959834 /nfs/dbraw/zinc/95/98/34/973959834.db2.gz LEZPNUMKEMMZFP-UHFFFAOYSA-N 0 2 408.252 3.846 20 0 HHADLN CC(C)C(=O)Nc1cccc(NS(=O)(=O)c2cccc(Br)c2F)c1 ZINC000410366358 973960160 /nfs/dbraw/zinc/96/01/60/973960160.db2.gz PXZOVRAPTROOIO-UHFFFAOYSA-N 0 2 415.284 3.984 20 0 HHADLN CCn1ncc(NS(=O)(=O)c2ccc(Br)cc2C)c1C(F)(F)F ZINC000410404112 974003995 /nfs/dbraw/zinc/00/39/95/974003995.db2.gz NHIFHEQSAJCPGJ-UHFFFAOYSA-N 0 2 412.231 3.794 20 0 HHADLN CCn1ncc(NS(=O)(=O)c2cc3c(c(Cl)c2)O[C@H](C)C3)c1C(F)(F)F ZINC000410406909 974006302 /nfs/dbraw/zinc/00/63/02/974006302.db2.gz NEFQZCUBAJRCHY-MRVPVSSYSA-N 0 2 409.817 3.699 20 0 HHADLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)c1 ZINC000425946201 974053756 /nfs/dbraw/zinc/05/37/56/974053756.db2.gz NWCWPZBELHSGIL-UHFFFAOYSA-N 0 2 405.472 3.511 20 0 HHADLN CCOc1ccc(C(=O)N2CCCCC2)cc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000426014853 974134064 /nfs/dbraw/zinc/13/40/64/974134064.db2.gz SEIMVTGQDCSYQJ-UHFFFAOYSA-N 0 2 424.469 3.790 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cc(CCc4ccccc4)ccn3)cc21 ZINC000426180968 974292200 /nfs/dbraw/zinc/29/22/00/974292200.db2.gz VCLMDMGEKHSGRB-UHFFFAOYSA-N 0 2 421.522 3.577 20 0 HHADLN Cc1nc(C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)sc1C(=O)[O-] ZINC000426713728 974610675 /nfs/dbraw/zinc/61/06/75/974610675.db2.gz JLXCBWXDZXNRLY-UHFFFAOYSA-N 0 2 410.421 3.703 20 0 HHADLN O=C([O-])[C@H]([NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)c1ccc(Cl)c(F)c1 ZINC000426756920 974637872 /nfs/dbraw/zinc/63/78/72/974637872.db2.gz ATEVNVSMRQZOHT-MRXNPFEDSA-N 0 2 413.211 3.768 20 0 HHADLN CCc1ccc(-c2ccc(C[NH2+][C@@H](Cn3ccc(C(F)(F)F)n3)C(=O)[O-])o2)cc1 ZINC000426762460 974641096 /nfs/dbraw/zinc/64/10/96/974641096.db2.gz KJSVCYMHIFLMTF-INIZCTEOSA-N 0 2 407.392 3.967 20 0 HHADLN O=C([O-])[C@H]([NH2+]Cc1ncc(Br)cc1Br)c1cccc(F)c1 ZINC000426813478 974679291 /nfs/dbraw/zinc/67/92/91/974679291.db2.gz XOEZHLHSUXCKNF-CYBMUJFWSA-N 0 2 418.060 3.661 20 0 HHADLN CCC[C@@H](C)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000427201413 974974187 /nfs/dbraw/zinc/97/41/87/974974187.db2.gz AFUVPVNZSPFQNR-PBHICJAKSA-N 0 2 407.561 3.985 20 0 HHADLN CC(C)CC[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000427204498 974976923 /nfs/dbraw/zinc/97/69/23/974976923.db2.gz KQSWWCNIDLCCJS-MRXNPFEDSA-N 0 2 407.561 3.985 20 0 HHADLN O=S(=O)(Nc1cccc(-c2nnco2)c1)c1cccc(OC(F)(F)F)c1F ZINC000427758811 975272140 /nfs/dbraw/zinc/27/21/40/975272140.db2.gz AGJGLCPUEISGJU-UHFFFAOYSA-N 0 2 403.313 3.575 20 0 HHADLN CN1Cc2cccc(NS(=O)(=O)c3cc(Cl)ccc3OC[C@H]3CCOC3)c2C1 ZINC000427758872 975272205 /nfs/dbraw/zinc/27/22/05/975272205.db2.gz CYTDLIXRCWDTEE-AWEZNQCLSA-N 0 2 422.934 3.502 20 0 HHADLN CCOC(=O)c1cc(COC)cc(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)c1 ZINC000427786666 975287983 /nfs/dbraw/zinc/28/79/83/975287983.db2.gz SEKDJKPVZJYEGM-UHFFFAOYSA-N 0 2 412.533 3.565 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000427794803 975292666 /nfs/dbraw/zinc/29/26/66/975292666.db2.gz VYPVVHSLUZLCHT-UHFFFAOYSA-N 0 2 413.424 3.678 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccco2)s1)c1cccc(OC(F)(F)F)c1F ZINC000427794636 975292730 /nfs/dbraw/zinc/29/27/30/975292730.db2.gz VECJJMSVGKDTSL-UHFFFAOYSA-N 0 2 409.342 3.637 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000428871210 976161180 /nfs/dbraw/zinc/16/11/80/976161180.db2.gz ICTOIOBLOVXGPC-OKILXGFUSA-N 0 2 406.533 3.598 20 0 HHADLN CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000429500791 976756223 /nfs/dbraw/zinc/75/62/23/976756223.db2.gz GOQDTHNKSADEDN-SFTDATJTSA-N 0 2 409.578 3.772 20 0 HHADLN Cc1cc(F)cc(C)c1S(=O)(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC000430365490 977504363 /nfs/dbraw/zinc/50/43/63/977504363.db2.gz FKCYRCNEKXWLNA-UHFFFAOYSA-N 0 2 403.483 3.517 20 0 HHADLN CCc1ccccc1S(=O)(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2)cn1 ZINC000430368783 977506507 /nfs/dbraw/zinc/50/65/07/977506507.db2.gz HHEDFLIDQZKIKX-UHFFFAOYSA-N 0 2 409.511 3.717 20 0 HHADLN O=C(N[C@@H](CO)c1ccc(F)cc1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430563203 977632794 /nfs/dbraw/zinc/63/27/94/977632794.db2.gz IKHYLCGFLCRHLX-QFIPXVFZSA-N 0 2 418.424 3.923 20 0 HHADLN O=C(c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)N1CC[C@H]([C@@H]2CCOC2)C1 ZINC000430580103 977642426 /nfs/dbraw/zinc/64/24/26/977642426.db2.gz HIUCLTHPADBAIM-DLBZAZTESA-N 0 2 404.466 3.819 20 0 HHADLN O=C([O-])[C@@H]1CCC[N@@H+]1CC(=O)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000430683553 977693486 /nfs/dbraw/zinc/69/34/86/977693486.db2.gz ZYCWEBCUYICNOM-IOFSEFHDSA-N 0 2 414.521 3.672 20 0 HHADLN O=C([O-])[C@@H]1CCC[N@H+]1CC(=O)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000430683553 977693490 /nfs/dbraw/zinc/69/34/90/977693490.db2.gz ZYCWEBCUYICNOM-IOFSEFHDSA-N 0 2 414.521 3.672 20 0 HHADLN Cc1cc(C)c(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C(C)C)ccc2C)s1 ZINC000431153857 978055496 /nfs/dbraw/zinc/05/54/96/978055496.db2.gz SFFYHPRQJQKOIS-UHFFFAOYSA-N 0 2 416.590 3.503 20 0 HHADLN COc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3sc(C)cc3C)c2)cn1 ZINC000431171064 978071447 /nfs/dbraw/zinc/07/14/47/978071447.db2.gz ZDAJWMUARYFXFD-UHFFFAOYSA-N 0 2 417.512 3.822 20 0 HHADLN Cc1cc(C)c(S(=O)(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)s1 ZINC000431176817 978076401 /nfs/dbraw/zinc/07/64/01/978076401.db2.gz DNJYIFGNXKBBCN-UHFFFAOYSA-N 0 2 409.558 3.612 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)cc1OC ZINC000431323022 978207549 /nfs/dbraw/zinc/20/75/49/978207549.db2.gz KRTDPIILCPKQML-UHFFFAOYSA-N 0 2 419.528 3.948 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)ccc1C ZINC000431332007 978217073 /nfs/dbraw/zinc/21/70/73/978217073.db2.gz KOGVIMPGPOVWJA-UHFFFAOYSA-N 0 2 422.919 3.926 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc3c(c2)COC3)cnn1-c1ccc(F)cc1 ZINC000432065403 978666204 /nfs/dbraw/zinc/66/62/04/978666204.db2.gz HERXRTHPRHWNAD-UHFFFAOYSA-N 0 2 401.463 3.795 20 0 HHADLN CC(C)(C)c1cc(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)n(C(C)(C)C)n1 ZINC000432179600 978702737 /nfs/dbraw/zinc/70/27/37/978702737.db2.gz YGDMVHLSEVSYPD-UHFFFAOYSA-N 0 2 402.520 3.578 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)Nc1cccc2c1CCO2 ZINC000432205749 978713258 /nfs/dbraw/zinc/71/32/58/978713258.db2.gz BUJJUMRJBXRWNC-UHFFFAOYSA-N 0 2 416.484 3.523 20 0 HHADLN CCCN(C(=O)C1=NN(c2ccc(F)cc2C)CC1=O)[C@@H](C)C(=O)Nc1ccccc1 ZINC000432288190 978745734 /nfs/dbraw/zinc/74/57/34/978745734.db2.gz XHRAECSRVYNKPR-INIZCTEOSA-N 0 2 424.476 3.905 20 0 HHADLN Cc1cccc(Oc2ccc(S(=O)(=O)Nc3cn(C)nc3-c3cnn(C)c3)cc2)c1 ZINC000432350891 978772278 /nfs/dbraw/zinc/77/22/78/978772278.db2.gz GLTBUOADXYKFOD-UHFFFAOYSA-N 0 2 423.498 3.722 20 0 HHADLN O=S(=O)(Nc1cnccc1-c1ccccc1)c1cc2c(cc1Cl)OCCO2 ZINC000432358463 978776429 /nfs/dbraw/zinc/77/64/29/978776429.db2.gz ORVQWJSLONZMPI-UHFFFAOYSA-N 0 2 402.859 3.974 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)sc1C1CC1 ZINC000432363341 978778750 /nfs/dbraw/zinc/77/87/50/978778750.db2.gz ANAWIUPMVYUZLR-UHFFFAOYSA-N 0 2 407.300 3.915 20 0 HHADLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)c1 ZINC000432368121 978780611 /nfs/dbraw/zinc/78/06/11/978780611.db2.gz KPHRAUGCBCODAC-UHFFFAOYSA-N 0 2 406.460 3.845 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)cc1 ZINC000432371264 978782877 /nfs/dbraw/zinc/78/28/77/978782877.db2.gz XWIJLQLICOSVGY-UHFFFAOYSA-N 0 2 405.476 3.733 20 0 HHADLN COCc1ccc(S(=O)(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)cc1 ZINC000432530041 978867003 /nfs/dbraw/zinc/86/70/03/978867003.db2.gz GUKIULYZYCJDRM-GOSISDBHSA-N 0 2 415.540 3.954 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc(F)c(C(F)(F)F)c3)cnc2c1Cl ZINC000432759442 978962314 /nfs/dbraw/zinc/96/23/14/978962314.db2.gz UXOLMGKVGJECKP-UHFFFAOYSA-N 0 2 408.764 3.650 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc([C@H]3Cc4ccccc4O3)o2)cc1Cl ZINC000432955174 979022643 /nfs/dbraw/zinc/02/26/43/979022643.db2.gz RKBPVWPACWUHOV-OAHLLOKOSA-N 0 2 421.862 3.517 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2noc(Cc3ccccc3)n2)c1 ZINC000432957652 979023642 /nfs/dbraw/zinc/02/36/42/979023642.db2.gz ZWGBLWSQAPAFNF-UHFFFAOYSA-N 0 2 408.277 3.532 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2noc(Cc3ccccc3)n2)ccc1Br ZINC000432967231 979027936 /nfs/dbraw/zinc/02/79/36/979027936.db2.gz XIRVWJKDOJLCPZ-UHFFFAOYSA-N 0 2 408.277 3.532 20 0 HHADLN Cn1nc(-c2ccc(F)cc2F)cc1NS(=O)(=O)c1cccc2ncccc21 ZINC000432967229 979028076 /nfs/dbraw/zinc/02/80/76/979028076.db2.gz XHCMZGBMSMJSPR-UHFFFAOYSA-N 0 2 400.410 3.714 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC(c4ncc(C)s4)CC3)s[nH]2)c1 ZINC000433083375 979064321 /nfs/dbraw/zinc/06/43/21/979064321.db2.gz ONQJGMFHEMHMDE-UHFFFAOYSA-N 0 2 415.544 3.812 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)cc1 ZINC000433161093 979107942 /nfs/dbraw/zinc/10/79/42/979107942.db2.gz QJMPRZDPSOWOAM-UHFFFAOYSA-N 0 2 403.460 3.702 20 0 HHADLN Cc1cc(C)nc(-n2nccc2NS(=O)(=O)c2c(Cl)ccc3ccccc32)n1 ZINC000433404272 979279344 /nfs/dbraw/zinc/27/93/44/979279344.db2.gz VXJVLVVHEJGHQL-UHFFFAOYSA-N 0 2 413.890 3.887 20 0 HHADLN O=S(=O)(Nc1ccc2nccnc2c1)c1cc(Br)sc1Cl ZINC000433602495 979418403 /nfs/dbraw/zinc/41/84/03/979418403.db2.gz GEMMWGCILPHVSR-UHFFFAOYSA-N 0 2 404.698 3.908 20 0 HHADLN CCC(=O)c1cccc(NS(=O)(=O)c2cnn(-c3cc(Cl)ccc3OC)c2)c1 ZINC000433610352 979423531 /nfs/dbraw/zinc/42/35/31/979423531.db2.gz PWJZTYAZPWWNFU-UHFFFAOYSA-N 0 2 419.890 3.928 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(Br)sc2Cl)cc1OC ZINC000433618863 979430253 /nfs/dbraw/zinc/43/02/53/979430253.db2.gz QQRDRKDNNUTBAY-UHFFFAOYSA-N 0 2 412.714 3.982 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N(CCCO)Cc1cccc(Cl)c1 ZINC000433653985 979455833 /nfs/dbraw/zinc/45/58/33/979455833.db2.gz OSFHFCSOXZLPLJ-UHFFFAOYSA-N 0 2 402.907 3.697 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2cccc3c[nH]nc32)cc1Cl ZINC000433807147 979589002 /nfs/dbraw/zinc/58/90/02/979589002.db2.gz CYAPDIMNCVBXME-UHFFFAOYSA-N 0 2 416.684 3.788 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)=N1 ZINC000434231838 980002677 /nfs/dbraw/zinc/00/26/77/980002677.db2.gz VBFWYKFJPOWKNS-UHFFFAOYSA-N 0 2 419.460 3.922 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@@H]3CCOC4(CCSCC4)C3)=N2)cc1 ZINC000434497188 980211703 /nfs/dbraw/zinc/21/17/03/980211703.db2.gz CLAIJBMNXVHWRR-QGZVFWFLSA-N 0 2 415.559 3.876 20 0 HHADLN COC(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2c(C)cc(C)cc2OC)c1 ZINC000434626704 980306333 /nfs/dbraw/zinc/30/63/33/980306333.db2.gz JMSRSCYFUFYMLE-UHFFFAOYSA-N 0 2 407.488 3.687 20 0 HHADLN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1 ZINC000434628074 980306835 /nfs/dbraw/zinc/30/68/35/980306835.db2.gz CDTLIIPYTZKXSO-QGZVFWFLSA-N 0 2 401.488 3.841 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN4C[C@@H](O)Cc5ccccc54)nc(=O)c3s2)cc1 ZINC000434661842 980326309 /nfs/dbraw/zinc/32/63/09/980326309.db2.gz GSFOGGIODXABLI-INIZCTEOSA-N 0 2 419.506 3.584 20 0 HHADLN C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688579 980341350 /nfs/dbraw/zinc/34/13/50/980341350.db2.gz NPNBPQAJNCJCDX-KRWDZBQOSA-N 0 2 424.545 3.587 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(-c3cc(Cl)ccc3OC)[nH]n2)c(C)c1 ZINC000434976840 980544407 /nfs/dbraw/zinc/54/44/07/980544407.db2.gz NGKGVMDHCYDNSE-UHFFFAOYSA-N 0 2 407.879 3.857 20 0 HHADLN COc1cc(NC(C)=O)ccc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000435136070 980667340 /nfs/dbraw/zinc/66/73/40/980667340.db2.gz YAOCJFWHBYGRFA-UHFFFAOYSA-N 0 2 406.357 3.612 20 0 HHADLN CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1cc(F)ccc1Br ZINC000435143935 980675294 /nfs/dbraw/zinc/67/52/94/980675294.db2.gz XWMUUYHZMRQUJA-UHFFFAOYSA-N 0 2 401.257 3.656 20 0 HHADLN CN(C)C(=O)Nc1ccc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)c(Cl)c1 ZINC000435364113 980813407 /nfs/dbraw/zinc/81/34/07/980813407.db2.gz XNGYTQXQOQWCKG-UHFFFAOYSA-N 0 2 407.908 3.688 20 0 HHADLN Cn1cnc(-c2ccc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)cc2)n1 ZINC000435476234 980890054 /nfs/dbraw/zinc/89/00/54/980890054.db2.gz CKSOQDHYCFESOZ-UHFFFAOYSA-N 0 2 401.250 3.729 20 0 HHADLN CC(=O)N1CCc2cc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)ccc21 ZINC000435500483 980905393 /nfs/dbraw/zinc/90/53/93/980905393.db2.gz KYOWGIVENBWHLW-UHFFFAOYSA-N 0 2 403.262 3.842 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2C[C@H](c3ccccc3)C2)c(F)c1Cl ZINC000435584122 980950182 /nfs/dbraw/zinc/95/01/82/980950182.db2.gz JYIDXTCOXCQHSG-JOCQHMNTSA-N 0 2 414.861 3.801 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2)o1)c1c(Cl)cc(F)cc1Cl ZINC000435904539 981084936 /nfs/dbraw/zinc/08/49/36/981084936.db2.gz XBOYTIDKSHTRBW-UHFFFAOYSA-N 0 2 402.234 3.907 20 0 HHADLN Cc1ccc(C(=O)NC2CC2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000436010337 981152996 /nfs/dbraw/zinc/15/29/96/981152996.db2.gz GSOMJDKXZGBFPD-UHFFFAOYSA-N 0 2 416.396 3.846 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)ccc1C(=O)N(C)C ZINC000436015672 981156665 /nfs/dbraw/zinc/15/66/65/981156665.db2.gz HZJLRDAPGPCRSM-UHFFFAOYSA-N 0 2 404.385 3.656 20 0 HHADLN O=S(=O)(Nc1cccc(OCC(F)(F)F)c1)c1cnc(-c2ccccc2)nc1 ZINC000436018112 981158222 /nfs/dbraw/zinc/15/82/22/981158222.db2.gz CWUKTIJNRQBTFK-UHFFFAOYSA-N 0 2 409.389 3.886 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cccc(F)c2C)c(OC)cc1Br ZINC000436024499 981163594 /nfs/dbraw/zinc/16/35/94/981163594.db2.gz JJCUXBRZBLSVQJ-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN COCCn1ccc2ccc(NS(=O)(=O)c3cnc(-c4ccccc4)nc3)cc21 ZINC000436193983 981243745 /nfs/dbraw/zinc/24/37/45/981243745.db2.gz BRNFOZBBXJUNKL-UHFFFAOYSA-N 0 2 408.483 3.546 20 0 HHADLN Cc1nnc(-c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)c2)n1C ZINC000436199350 981245978 /nfs/dbraw/zinc/24/59/78/981245978.db2.gz PPJOBRWSKMFOTQ-UHFFFAOYSA-N 0 2 414.384 3.749 20 0 HHADLN Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(OC4COC4)cc3)s2)cs1 ZINC000436200960 981246696 /nfs/dbraw/zinc/24/66/96/981246696.db2.gz TZUOJJMOMWLVCG-UHFFFAOYSA-N 0 2 408.526 3.758 20 0 HHADLN CCN(Cc1ccc(OC)cc1OC)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000436464715 981388213 /nfs/dbraw/zinc/38/82/13/981388213.db2.gz QRNIZEWTIUKZGE-UHFFFAOYSA-N 0 2 415.877 3.911 20 0 HHADLN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cc(F)cc(Br)c1O ZINC000436510066 981408852 /nfs/dbraw/zinc/40/88/52/981408852.db2.gz CQMHYJOZFMBCEM-LBPRGKRZSA-N 0 2 423.282 3.585 20 0 HHADLN CN(C1CCCCC1)S(=O)(=O)c1cccc(NC(=O)c2cc(F)c(O)c(F)c2)c1 ZINC000436521935 981415105 /nfs/dbraw/zinc/41/51/05/981415105.db2.gz IJTNHDNYPCAWIR-UHFFFAOYSA-N 0 2 424.469 3.876 20 0 HHADLN C[C@H](NC(=O)c1cc(F)c(O)c(F)c1)c1nc(-c2ccc(Br)cc2)no1 ZINC000436527706 981420248 /nfs/dbraw/zinc/42/02/48/981420248.db2.gz UVXMQXBXFCKEAQ-QMMMGPOBSA-N 0 2 424.201 3.974 20 0 HHADLN O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cc(F)c(O)c(F)c1 ZINC000436531859 981424076 /nfs/dbraw/zinc/42/40/76/981424076.db2.gz IBAOMWGLMJZGSP-UHFFFAOYSA-N 0 2 408.202 3.930 20 0 HHADLN O=C(Nc1ccnn1Cc1cccc(Br)c1)c1cc(F)c(O)c(F)c1 ZINC000436533159 981425112 /nfs/dbraw/zinc/42/51/12/981425112.db2.gz MFGRXIVYTLWCDU-UHFFFAOYSA-N 0 2 408.202 3.930 20 0 HHADLN COC(=O)c1occc1CN(C(=O)c1cc(F)c(O)c(F)c1)[C@H](C)c1ccccn1 ZINC000436534160 981425274 /nfs/dbraw/zinc/42/52/74/981425274.db2.gz KBOAGHDLKBCMED-GFCCVEGCSA-N 0 2 416.380 3.849 20 0 HHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000436538921 981428861 /nfs/dbraw/zinc/42/88/61/981428861.db2.gz XBVBGAIERUAFMP-UHFFFAOYSA-N 0 2 415.223 3.575 20 0 HHADLN C[C@H](NC(=O)c1cc(F)cc(Br)c1O)c1ccc(Br)cn1 ZINC000436541747 981430879 /nfs/dbraw/zinc/43/08/79/981430879.db2.gz ZQNNNZVVTUANTB-ZETCQYMHSA-N 0 2 418.060 3.942 20 0 HHADLN O=C(NC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2O)C1)c1ccc(Cl)cc1O ZINC000436576706 981455129 /nfs/dbraw/zinc/45/51/29/981455129.db2.gz QJDGSPNRSIGIOB-LBPRGKRZSA-N 0 2 423.296 3.687 20 0 HHADLN O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2cc(F)c(O)c(F)c2)CC1 ZINC000436633326 981484386 /nfs/dbraw/zinc/48/43/86/981484386.db2.gz GOWAAHKTFBFKDB-UHFFFAOYSA-N 0 2 415.223 3.575 20 0 HHADLN CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cc(F)c(O)c(F)c2)c1 ZINC000436635197 981485705 /nfs/dbraw/zinc/48/57/05/981485705.db2.gz KRPHWGHRBLLYAZ-UHFFFAOYSA-N 0 2 418.421 3.748 20 0 HHADLN CSc1nnc(CCCNC(=O)c2cc(F)cc(Cl)c2O)n1CC(C)C ZINC000436636467 981486462 /nfs/dbraw/zinc/48/64/62/981486462.db2.gz VETCMVJAKCOGFA-UHFFFAOYSA-N 0 2 400.907 3.517 20 0 HHADLN O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000436671816 981504059 /nfs/dbraw/zinc/50/40/59/981504059.db2.gz LVHNCKGFQGGKIR-UHFFFAOYSA-N 0 2 410.699 3.602 20 0 HHADLN COc1ccc(NC(=O)c2ccc(O)cc2)c(NS(=O)(=O)c2cc(C)oc2C)c1 ZINC000436683250 981510471 /nfs/dbraw/zinc/51/04/71/981510471.db2.gz ZDNLPDZGIZYVLK-UHFFFAOYSA-N 0 2 416.455 3.664 20 0 HHADLN C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436715094 981527586 /nfs/dbraw/zinc/52/75/86/981527586.db2.gz HUSSUGGTESVKGS-RYUDHWBXSA-N 0 2 407.923 3.524 20 0 HHADLN C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436715094 981527591 /nfs/dbraw/zinc/52/75/91/981527591.db2.gz HUSSUGGTESVKGS-RYUDHWBXSA-N 0 2 407.923 3.524 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000436720005 981529610 /nfs/dbraw/zinc/52/96/10/981529610.db2.gz FAERSVHWESQDCM-HNNXBMFYSA-N 0 2 412.667 3.727 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc3c(ccc4ccccc34)s2)ccc1O ZINC000436743594 981541464 /nfs/dbraw/zinc/54/14/64/981541464.db2.gz HOOPKGRNKRGBIW-UHFFFAOYSA-N 0 2 414.464 3.743 20 0 HHADLN Cc1cc(CN2CCN(C(=O)c3cc(-c4ccccc4)cc(Cl)c3O)CC2)on1 ZINC000436757946 981548662 /nfs/dbraw/zinc/54/86/62/981548662.db2.gz JUUAPXPNYSDKKL-UHFFFAOYSA-N 0 2 411.889 3.967 20 0 HHADLN CC[C@H](C)Oc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)c1 ZINC000436760839 981550416 /nfs/dbraw/zinc/55/04/16/981550416.db2.gz FUIZWFIKWJVKIW-HNNXBMFYSA-N 0 2 418.515 3.606 20 0 HHADLN O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000436773155 981555622 /nfs/dbraw/zinc/55/56/22/981555622.db2.gz ODMJRVWIJNBCNY-UHFFFAOYSA-N 0 2 412.248 3.724 20 0 HHADLN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1 ZINC000436796866 981566308 /nfs/dbraw/zinc/56/63/08/981566308.db2.gz XMGXPTQIOONJAY-LLVKDONJSA-N 0 2 424.822 3.838 20 0 HHADLN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(F)c(O)c(F)c1 ZINC000436838384 981584507 /nfs/dbraw/zinc/58/45/07/981584507.db2.gz KCPILNJJFWEYCR-UHFFFAOYSA-N 0 2 403.303 3.505 20 0 HHADLN O=C(Nc1ccc2nnc(C3CCC3)n2c1)c1cc(F)cc(Br)c1O ZINC000436846313 981587203 /nfs/dbraw/zinc/58/72/03/981587203.db2.gz BYPDLCKEPXNDEK-UHFFFAOYSA-N 0 2 405.227 3.856 20 0 HHADLN C[C@@H](NC(=O)c1cc(F)cc(Br)c1O)c1ccc2c(c1)CCC(=O)N2 ZINC000436847092 981587811 /nfs/dbraw/zinc/58/78/11/981587811.db2.gz JLTWRJDCILDYOH-SECBINFHSA-N 0 2 407.239 3.670 20 0 HHADLN O=C(NCC1(c2ccccc2)CCOCC1)c1cc(F)cc(Br)c1O ZINC000436849310 981588885 /nfs/dbraw/zinc/58/88/85/981588885.db2.gz RVNATDLWEPZGOS-UHFFFAOYSA-N 0 2 408.267 3.772 20 0 HHADLN CCN(Cc1cccc(NC(=O)c2cc(F)cc(Br)c2O)c1)C(C)=O ZINC000436850149 981589383 /nfs/dbraw/zinc/58/93/83/981589383.db2.gz YWQYTPRQAXRIRK-UHFFFAOYSA-N 0 2 409.255 3.915 20 0 HHADLN COc1cc(NC(=O)c2cc(F)cc(Br)c2O)cc(OC)c1OC ZINC000436850268 981589959 /nfs/dbraw/zinc/58/99/59/981589959.db2.gz GZNXQTDASLUZFJ-UHFFFAOYSA-N 0 2 400.200 3.572 20 0 HHADLN C[C@H](NC(=O)c1cc(F)cc(Br)c1O)c1ccc([S@@](C)=O)cc1 ZINC000436852567 981591479 /nfs/dbraw/zinc/59/14/79/981591479.db2.gz AITGZTZRIXZBKG-YGWIHHTISA-N 0 2 400.269 3.522 20 0 HHADLN CCN1C(=O)CCc2cc(NC(=O)c3cc(F)cc(Br)c3O)ccc21 ZINC000436856011 981593439 /nfs/dbraw/zinc/59/34/39/981593439.db2.gz WTCILZIDFOVVHJ-UHFFFAOYSA-N 0 2 407.239 3.845 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(-c2nc(C(C)(C)C)no2)c1 ZINC000436894861 981604670 /nfs/dbraw/zinc/60/46/70/981604670.db2.gz VCHPXCKDDRJCLP-UHFFFAOYSA-N 0 2 403.460 3.549 20 0 HHADLN O=C(N[C@@H]1CCOC2(CCSCC2)C1)c1cc(Cl)cc(Br)c1O ZINC000436912325 981617639 /nfs/dbraw/zinc/61/76/39/981617639.db2.gz SOGZOCFNAYALED-LLVKDONJSA-N 0 2 420.756 3.983 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000436912848 981618433 /nfs/dbraw/zinc/61/84/33/981618433.db2.gz UKULJFDVRFVIBS-KRTXAFLBSA-N 0 2 416.621 3.584 20 0 HHADLN CCS[C@@H](C)c1noc(-c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)n1 ZINC000436941534 981636115 /nfs/dbraw/zinc/63/61/15/981636115.db2.gz CURBOYXIIICRIN-ZDUSSCGKSA-N 0 2 419.528 3.735 20 0 HHADLN COC(=O)[C@@](C)(NC(=O)c1cc(F)c(O)c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000436950312 981640591 /nfs/dbraw/zinc/64/05/91/981640591.db2.gz BWCJWPXQXYSPGN-KRWDZBQOSA-N 0 2 404.196 3.795 20 0 HHADLN CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000436967896 981654402 /nfs/dbraw/zinc/65/44/02/981654402.db2.gz RGHWKPSGFORNHZ-FVMDXXJSSA-N 0 2 400.219 3.939 20 0 HHADLN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc(F)cc(Br)c1O ZINC000436999725 981676797 /nfs/dbraw/zinc/67/67/97/981676797.db2.gz NHAKKGQQVAOQBR-UHFFFAOYSA-N 0 2 407.239 3.782 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc1 ZINC000437165650 981817651 /nfs/dbraw/zinc/81/76/51/981817651.db2.gz MSYOWDIOWSDIEV-UHFFFAOYSA-N 0 2 409.920 3.982 20 0 HHADLN C[C@@H]1CN(Cc2csc(NS(=O)(=O)c3cccc4ccccc43)n2)C[C@@H](C)O1 ZINC000437168850 981821481 /nfs/dbraw/zinc/82/14/81/981821481.db2.gz RWPZJSFPJSPEBY-HUUCEWRRSA-N 0 2 417.556 3.706 20 0 HHADLN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1nnc(C(C)(C)C)s1 ZINC000437168585 981822046 /nfs/dbraw/zinc/82/20/46/981822046.db2.gz ALVJRQNFDVIQDC-UHFFFAOYSA-N 0 2 410.565 3.509 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2cnc3ccsc3c2)cn1)c1ccccc1 ZINC000437175714 981830979 /nfs/dbraw/zinc/83/09/79/981830979.db2.gz JFCLVAZDMJUZRH-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)s1 ZINC000437175507 981831255 /nfs/dbraw/zinc/83/12/55/981831255.db2.gz HWPVGAHXKSSENR-NSHDSACASA-N 0 2 408.549 3.540 20 0 HHADLN CCCCCc1nnc(NS(=O)(=O)c2ccc(OC)c(Br)c2)s1 ZINC000437176408 981832099 /nfs/dbraw/zinc/83/20/99/981832099.db2.gz OFQWJLQJKMHUIH-UHFFFAOYSA-N 0 2 420.354 3.843 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)c1C ZINC000437183164 981839257 /nfs/dbraw/zinc/83/92/57/981839257.db2.gz MMBZBMRMAFRDHY-UHFFFAOYSA-N 0 2 409.533 3.557 20 0 HHADLN CC(C)n1cc(S(=O)(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)cn1 ZINC000437191824 981849204 /nfs/dbraw/zinc/84/92/04/981849204.db2.gz ADBMSSJYXOINPE-UHFFFAOYSA-N 0 2 407.565 3.584 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)c(C)c1 ZINC000437195122 981851786 /nfs/dbraw/zinc/85/17/86/981851786.db2.gz QEESMGXVEKQSDD-UHFFFAOYSA-N 0 2 409.533 3.557 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(Cl)c2)s1)c1ccc(F)c(F)c1 ZINC000437202576 981860253 /nfs/dbraw/zinc/86/02/53/981860253.db2.gz ONHPMKUCZPMZSO-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN CC(C)[C@H](CO)N(Cc1ccccc1)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000460130139 981904710 /nfs/dbraw/zinc/90/47/10/981904710.db2.gz LOAAQOQMPAICNH-INIZCTEOSA-N 0 2 402.545 3.740 20 0 HHADLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3c(F)cc(NC(C)=O)cc3F)sc2C1 ZINC000437311417 981963725 /nfs/dbraw/zinc/96/37/25/981963725.db2.gz UVJODIHUKMDUSR-SNVBAGLBSA-N 0 2 415.487 3.695 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1C ZINC000437334240 981985038 /nfs/dbraw/zinc/98/50/38/981985038.db2.gz UVFFTGSUVBFBHI-UHFFFAOYSA-N 0 2 416.469 3.940 20 0 HHADLN Cc1c(F)cccc1S(=O)(=O)Nc1ccnn1Cc1ccc(Br)cc1 ZINC000437408324 982051494 /nfs/dbraw/zinc/05/14/94/982051494.db2.gz IIGPJHDPQJFOFP-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2ccc(C)c(OC)c2C)cn1 ZINC000460414945 982200370 /nfs/dbraw/zinc/20/03/70/982200370.db2.gz ZFPUTAXFJYUZIT-UHFFFAOYSA-N 0 2 421.906 3.961 20 0 HHADLN Cc1cc(Br)ccc1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000460431978 982221402 /nfs/dbraw/zinc/22/14/02/982221402.db2.gz AVNRXMYPGFAFGJ-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN CC(=O)Nc1cccc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c1C ZINC000460448508 982241322 /nfs/dbraw/zinc/24/13/22/982241322.db2.gz NHNHTLQAIRDLFX-UHFFFAOYSA-N 0 2 418.906 3.902 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccnc1-c1ccc(C)s1 ZINC000437655597 982272865 /nfs/dbraw/zinc/27/28/65/982272865.db2.gz OESDPFISQBINSH-UHFFFAOYSA-N 0 2 406.485 3.916 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)c(F)c2)o1)c1ccc(OC(F)F)c(F)c1 ZINC000460542614 982329700 /nfs/dbraw/zinc/32/97/00/982329700.db2.gz KCBNSSDITPOYKX-UHFFFAOYSA-N 0 2 421.303 3.556 20 0 HHADLN O=C(c1ccc(F)cc1)c1cccnc1NS(=O)(=O)Cc1c(F)cccc1F ZINC000460581235 982365429 /nfs/dbraw/zinc/36/54/29/982365429.db2.gz XPCNNJUAMFTELA-UHFFFAOYSA-N 0 2 406.385 3.672 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000460825184 982576395 /nfs/dbraw/zinc/57/63/95/982576395.db2.gz RYOZHCQTPSRKOT-UHFFFAOYSA-N 0 2 411.451 3.944 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2cccnc2OC(C)C)cn1 ZINC000460832060 982582438 /nfs/dbraw/zinc/58/24/38/982582438.db2.gz NCQXPKDYXMPJDR-UHFFFAOYSA-N 0 2 422.894 3.517 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)cc1 ZINC000460842350 982590329 /nfs/dbraw/zinc/59/03/29/982590329.db2.gz YTUBPRGLFYXQQO-OAQYLSRUSA-N 0 2 424.526 3.592 20 0 HHADLN C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1cc(Cl)cc(Br)c1O)C[C@H](C)O2 ZINC000438189920 982642259 /nfs/dbraw/zinc/64/22/59/982642259.db2.gz MYPJRXCPXYYTHI-VGTOOOLASA-N 0 2 418.715 3.607 20 0 HHADLN CCc1ncc(S(=O)(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)s1 ZINC000460922199 982659347 /nfs/dbraw/zinc/65/93/47/982659347.db2.gz ASMHEDILEYIIQW-GFCCVEGCSA-N 0 2 416.393 3.889 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000438310837 982715470 /nfs/dbraw/zinc/71/54/70/982715470.db2.gz DTMXEOCRECDLFE-CZUORRHYSA-N 0 2 415.856 3.532 20 0 HHADLN Cc1ccc(-c2n[nH]c(NC(=O)c3nc(C(C)C)n(-c4ccccc4F)n3)n2)cc1 ZINC000460998729 982716920 /nfs/dbraw/zinc/71/69/20/982716920.db2.gz GTDDYXZWATZPQQ-UHFFFAOYSA-N 0 2 405.437 3.876 20 0 HHADLN COc1cc(OC)cc(-c2cccc(NS(=O)(=O)c3cccc(C(C)=O)c3)n2)c1 ZINC000461207815 982922089 /nfs/dbraw/zinc/92/20/89/982922089.db2.gz FIGHSWYNHCROOQ-UHFFFAOYSA-N 0 2 412.467 3.769 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(C)n(C)nc2c1 ZINC000461331448 983022285 /nfs/dbraw/zinc/02/22/85/983022285.db2.gz GUFISSGFIHRHHI-LBPRGKRZSA-N 0 2 423.922 3.750 20 0 HHADLN CCc1ncc(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)s1 ZINC000461425507 983088545 /nfs/dbraw/zinc/08/85/45/983088545.db2.gz UNXOGQPOBDPXJH-UHFFFAOYSA-N 0 2 401.485 3.832 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccccc2-c2cn[nH]c2)cc1Cl ZINC000438819829 983093004 /nfs/dbraw/zinc/09/30/04/983093004.db2.gz NXPQWZMPXKKNDR-UHFFFAOYSA-N 0 2 408.842 3.628 20 0 HHADLN COCCn1cc(S(=O)(=O)Nc2ccc(F)cc2-c2ccc(Cl)cc2)cn1 ZINC000439037880 983223090 /nfs/dbraw/zinc/22/30/90/983223090.db2.gz HAGWTLCCJZRFRI-UHFFFAOYSA-N 0 2 409.870 3.790 20 0 HHADLN COc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)ccc1N1CCCC1=O ZINC000439054255 983229785 /nfs/dbraw/zinc/22/97/85/983229785.db2.gz HYJFBBGCUGWFQF-UHFFFAOYSA-N 0 2 408.545 3.982 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC(Nc3cccc(OC)c3)CC2)=N1 ZINC000439112991 983255723 /nfs/dbraw/zinc/25/57/23/983255723.db2.gz PLLGAXISUKVUBF-UHFFFAOYSA-N 0 2 420.513 3.866 20 0 HHADLN Cc1ccsc1CCCC(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1 ZINC000439112924 983255829 /nfs/dbraw/zinc/25/58/29/983255829.db2.gz DPLROQLXWCPXCF-UHFFFAOYSA-N 0 2 422.557 3.670 20 0 HHADLN CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cc1 ZINC000439248300 983330917 /nfs/dbraw/zinc/33/09/17/983330917.db2.gz POFUZUWXLCWGGF-UHFFFAOYSA-N 0 2 403.211 3.828 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)c(C(=O)N(C)C)c2)c1Cl ZINC000439580045 983459586 /nfs/dbraw/zinc/45/95/86/983459586.db2.gz ZXVXEYHPAOJOTM-UHFFFAOYSA-N 0 2 405.278 3.944 20 0 HHADLN CC(C)c1nnc2n1CCN(C(=O)C1=NN(c3ccc(C(C)C)cc3)CC1=O)[C@H]2C ZINC000439870074 983562759 /nfs/dbraw/zinc/56/27/59/983562759.db2.gz KYRNQGKBLCJTPE-HNNXBMFYSA-N 0 2 408.506 3.633 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C3(CC(C)C)CC3)cc2)nc(C)n1 ZINC000440428397 983753910 /nfs/dbraw/zinc/75/39/10/983753910.db2.gz PVSACWNSMNWZEI-UHFFFAOYSA-N 0 2 402.520 3.659 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc(F)c(Br)c2)cnn1CCC(C)C ZINC000440815770 983918728 /nfs/dbraw/zinc/91/87/28/983918728.db2.gz WOLKJWIIHJNUJI-UHFFFAOYSA-N 0 2 404.305 3.940 20 0 HHADLN CC(C)c1cnc(-c2ccc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)cc2)o1 ZINC000440820382 983921664 /nfs/dbraw/zinc/92/16/64/983921664.db2.gz OARMXYHMMDASMJ-UHFFFAOYSA-N 0 2 416.503 3.814 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)cc1OCCC(C)C ZINC000440829215 983926757 /nfs/dbraw/zinc/92/67/57/983926757.db2.gz AHAXEXRLLOEXAN-UHFFFAOYSA-N 0 2 407.536 3.769 20 0 HHADLN Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000441837522 984489086 /nfs/dbraw/zinc/48/90/86/984489086.db2.gz NJDUBRXRMOLXRZ-CQSZACIVSA-N 0 2 415.563 3.522 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc3c(ccn3CC(C)C)c2)cnn1-c1ccccn1 ZINC000462054231 985028491 /nfs/dbraw/zinc/02/84/91/985028491.db2.gz AKFOQPNWFWDOLB-UHFFFAOYSA-N 0 2 409.515 3.987 20 0 HHADLN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2cc(C3CCC3)nn2-c2ccccc2)cc1 ZINC000442595822 985081802 /nfs/dbraw/zinc/08/18/02/985081802.db2.gz CLKOJBDIKOIGNA-UHFFFAOYSA-N 0 2 424.526 3.642 20 0 HHADLN C=Cc1ccc(CCNS(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)cc1 ZINC000462114308 985083967 /nfs/dbraw/zinc/08/39/67/985083967.db2.gz AWWKINHRCIDVBZ-UHFFFAOYSA-N 0 2 414.861 3.741 20 0 HHADLN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)cc1 ZINC000442602542 985085751 /nfs/dbraw/zinc/08/57/51/985085751.db2.gz VVFZANCNBIOLMI-UHFFFAOYSA-N 0 2 421.931 3.966 20 0 HHADLN CC(C)n1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000442619358 985096161 /nfs/dbraw/zinc/09/61/61/985096161.db2.gz UHUFTRWYNYWEQT-UHFFFAOYSA-N 0 2 412.515 3.634 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cn1 ZINC000442626910 985103750 /nfs/dbraw/zinc/10/37/50/985103750.db2.gz WVJVUPZQBIHLFL-AWEZNQCLSA-N 0 2 401.513 3.620 20 0 HHADLN Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3cnccc3C(F)(F)F)cc2F)n1 ZINC000442820459 985227964 /nfs/dbraw/zinc/22/79/64/985227964.db2.gz STEZXZZXQGKBHU-UHFFFAOYSA-N 0 2 414.384 3.843 20 0 HHADLN Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000442825455 985230221 /nfs/dbraw/zinc/23/02/21/985230221.db2.gz MQYWFTRCNPVPJL-UHFFFAOYSA-N 0 2 401.410 3.804 20 0 HHADLN COc1cc(C(=O)NCc2ccccc2CN2C[C@@H](C)O[C@H](C)C2)cc(Cl)c1O ZINC000442859854 985248822 /nfs/dbraw/zinc/24/88/22/985248822.db2.gz VRBDDMQNHADBBD-HUUCEWRRSA-N 0 2 418.921 3.593 20 0 HHADLN NC(=O)c1cccc(S(=O)(=O)Nc2cccc(-c3ccc4ccccc4c3)n2)c1 ZINC000462382279 985365160 /nfs/dbraw/zinc/36/51/60/985365160.db2.gz YMMJUYDHCVQKBT-UHFFFAOYSA-N 0 2 403.463 3.802 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cccc(N2CCC(C)CC2)c1 ZINC000443143428 985404259 /nfs/dbraw/zinc/40/42/59/985404259.db2.gz CJDNUAVKRPVNCK-UHFFFAOYSA-N 0 2 408.545 3.880 20 0 HHADLN O=S(=O)(Nc1c(-c2ccncc2)nc2ccccn21)c1cnccc1C(F)(F)F ZINC000443147597 985407494 /nfs/dbraw/zinc/40/74/94/985407494.db2.gz WASIPVNTXSMTQD-UHFFFAOYSA-N 0 2 419.388 3.611 20 0 HHADLN O=S(=O)([N-]c1c(-c2ccncc2)[nH+]c2ccccn21)c1cnccc1C(F)(F)F ZINC000443147597 985407501 /nfs/dbraw/zinc/40/75/01/985407501.db2.gz WASIPVNTXSMTQD-UHFFFAOYSA-N 0 2 419.388 3.611 20 0 HHADLN O=S(=O)(Nc1c2c(nn1-c1ccccc1)CCC2)c1cnccc1C(F)(F)F ZINC000443157903 985415842 /nfs/dbraw/zinc/41/58/42/985415842.db2.gz SICCPORPEKVOBD-UHFFFAOYSA-N 0 2 408.405 3.576 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2C[C@@H]2C2CCCCC2)c(F)c1Cl ZINC000462482882 985438762 /nfs/dbraw/zinc/43/87/62/985438762.db2.gz BUELPYPCMALZFW-YPMHNXCESA-N 0 2 406.882 3.824 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCc3c2cccc3F)c(F)c1Cl ZINC000462517412 985468041 /nfs/dbraw/zinc/46/80/41/985468041.db2.gz PEVHLGOEHYRXOW-CYBMUJFWSA-N 0 2 418.824 3.682 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)c(F)c1Cl ZINC000462529203 985478360 /nfs/dbraw/zinc/47/83/60/985478360.db2.gz GQGZBRTWYJLTMP-SNVBAGLBSA-N 0 2 402.850 3.925 20 0 HHADLN Cc1nnc(-c2cc(F)ccc2NS(=O)(=O)c2cccc3c2OC(C)(C)C3)o1 ZINC000443408508 985563736 /nfs/dbraw/zinc/56/37/36/985563736.db2.gz TWBBITRCPKDXNV-UHFFFAOYSA-N 0 2 403.435 3.698 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2nc(C)co2)c1 ZINC000467933939 985567771 /nfs/dbraw/zinc/56/77/71/985567771.db2.gz RZQYNEZTURWBBJ-UHFFFAOYSA-N 0 2 406.847 3.891 20 0 HHADLN Cc1cnn(-c2ccncc2NS(=O)(=O)c2cc(Br)sc2C)c1 ZINC000443418445 985575577 /nfs/dbraw/zinc/57/55/77/985575577.db2.gz PFYCTJHBJOQWKJ-UHFFFAOYSA-N 0 2 413.322 3.509 20 0 HHADLN COC(=O)c1cc(Br)cc(S(=O)(=O)Nc2ncccc2C(C)C)c1 ZINC000443421245 985578746 /nfs/dbraw/zinc/57/87/46/985578746.db2.gz XKHHSPIJQGTHLZ-UHFFFAOYSA-N 0 2 413.293 3.555 20 0 HHADLN Cc1cccc(COc2cccc(NS(=O)(=O)c3cnn([C@@H]4CCOC4)c3)c2)c1 ZINC000443455936 985625166 /nfs/dbraw/zinc/62/51/66/985625166.db2.gz SFJKJUTWWLZRDC-LJQANCHMSA-N 0 2 413.499 3.533 20 0 HHADLN O=S(=O)(Nc1cnn(CC(F)(F)F)c1)c1ccc(Br)c(Cl)c1 ZINC000443461867 985634597 /nfs/dbraw/zinc/63/45/97/985634597.db2.gz FHYLHKPFLIBPMF-UHFFFAOYSA-N 0 2 418.622 3.662 20 0 HHADLN O=C(NCCCNc1nc(-c2ccccc2)ns1)c1ccc(Br)cc1 ZINC000462799845 985732303 /nfs/dbraw/zinc/73/23/03/985732303.db2.gz YNDCXDIPYLQERD-UHFFFAOYSA-N 0 2 417.332 3.622 20 0 HHADLN COc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)c(O)c1 ZINC000443563920 985737905 /nfs/dbraw/zinc/73/79/05/985737905.db2.gz YVBFJCRCBMHGNY-UHFFFAOYSA-N 0 2 418.496 3.824 20 0 HHADLN CCO[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccccc1 ZINC000443581058 985756324 /nfs/dbraw/zinc/75/63/24/985756324.db2.gz TVLREBHSNJIVQR-KRWDZBQOSA-N 0 2 417.512 3.660 20 0 HHADLN CC(C)(C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccc(F)c1 ZINC000443581409 985756470 /nfs/dbraw/zinc/75/64/70/985756470.db2.gz LXIHRUISJROKGC-UHFFFAOYSA-N 0 2 419.503 3.999 20 0 HHADLN O=C(CSc1ccc(F)cc1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443586904 985763455 /nfs/dbraw/zinc/76/34/55/985763455.db2.gz BOZDFHGLKKNJOQ-UHFFFAOYSA-N 0 2 423.516 3.814 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc2n[nH]cc2cc1C ZINC000468356191 986053414 /nfs/dbraw/zinc/05/34/14/986053414.db2.gz LFBQMUHEJGKXDB-GFCCVEGCSA-N 0 2 409.895 3.739 20 0 HHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000463111038 986073570 /nfs/dbraw/zinc/07/35/70/986073570.db2.gz OHYHSTSXHDDYJE-AWEZNQCLSA-N 0 2 423.252 3.671 20 0 HHADLN C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463160911 986132598 /nfs/dbraw/zinc/13/25/98/986132598.db2.gz LUMZCIRUMPCXEM-SNVBAGLBSA-N 0 2 404.257 3.536 20 0 HHADLN Cc1cc(-n2cncn2)ccc1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463160568 986132637 /nfs/dbraw/zinc/13/26/37/986132637.db2.gz KDWPNLYDMAJHOL-UHFFFAOYSA-N 0 2 414.256 3.920 20 0 HHADLN CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463160492 986132657 /nfs/dbraw/zinc/13/26/57/986132657.db2.gz FHPDVWVUECWRKR-AWEZNQCLSA-N 0 2 422.272 3.765 20 0 HHADLN CCOC(=O)c1cnc(C)c(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c1 ZINC000463162539 986134273 /nfs/dbraw/zinc/13/42/73/986134273.db2.gz PRCZUYIWEGKWRK-UHFFFAOYSA-N 0 2 420.256 3.911 20 0 HHADLN O=C(CCC1CCCC1)NCC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463163896 986135436 /nfs/dbraw/zinc/13/54/36/986135436.db2.gz DTRKEDKYSWITMN-UHFFFAOYSA-N 0 2 410.305 3.804 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1ccnc(O[C@H]2CCOC2)c1 ZINC000463164490 986136108 /nfs/dbraw/zinc/13/61/08/986136108.db2.gz NVOAHLNOEIASBI-LBPRGKRZSA-N 0 2 420.256 3.594 20 0 HHADLN C[C@@H](CC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)NC(=O)C1CCCC1 ZINC000463166681 986138484 /nfs/dbraw/zinc/13/84/84/986138484.db2.gz ZMLMXJSDRAWMRV-JTQLQIEISA-N 0 2 410.305 3.802 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(CCC(F)(F)F)CC(F)(F)F)=N2)cc1 ZINC000468516463 986219333 /nfs/dbraw/zinc/21/93/33/986219333.db2.gz PBTXGFLFIHCHRC-UHFFFAOYSA-N 0 2 411.302 3.543 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccn2)s1)c1ccc(C(F)(F)F)cc1F ZINC000444047712 986245028 /nfs/dbraw/zinc/24/50/28/986245028.db2.gz GEKXNCRAEPLSLD-UHFFFAOYSA-N 0 2 404.370 3.559 20 0 HHADLN O=S(=O)(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1c(F)cccc1Cl ZINC000444057941 986259001 /nfs/dbraw/zinc/25/90/01/986259001.db2.gz WFVWWUPTSMVUES-UHFFFAOYSA-N 0 2 401.250 3.573 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3cc(C)ccc3Br)o2)c(C)o1 ZINC000444064482 986266958 /nfs/dbraw/zinc/26/69/58/986266958.db2.gz KTJHXSIEUVBANX-UHFFFAOYSA-N 0 2 412.265 3.818 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3ccoc3C)o2)sc1Br ZINC000444067012 986269674 /nfs/dbraw/zinc/26/96/74/986269674.db2.gz XOLIQLDAQUYFES-UHFFFAOYSA-N 0 2 404.267 3.571 20 0 HHADLN COCCN(C(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O)[C@@H]1CCCSC1 ZINC000468597181 986307634 /nfs/dbraw/zinc/30/76/34/986307634.db2.gz JAOUFXDVPCAIHI-GOSISDBHSA-N 0 2 403.548 3.686 20 0 HHADLN O=C(N[C@@H]1CCCc2sccc21)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000468725916 986439707 /nfs/dbraw/zinc/43/97/07/986439707.db2.gz AQUGSTZTHMRYEU-OAHLLOKOSA-N 0 2 419.553 3.813 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cc3ccccc3o2)s1)c1ccc2c(c1)OCCO2 ZINC000468827414 986536894 /nfs/dbraw/zinc/53/68/94/986536894.db2.gz FCKWWPIYGCJOEI-UHFFFAOYSA-N 0 2 415.452 3.523 20 0 HHADLN O=C(Nc1ccc2c(c1)CCC(=O)N2CC(F)(F)F)c1cc(F)c(O)c(F)c1 ZINC000444432498 986618049 /nfs/dbraw/zinc/61/80/49/986618049.db2.gz IELMDBDWFOEDEZ-UHFFFAOYSA-N 0 2 400.303 3.764 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ncc(-c2ccccc2)s1 ZINC000468951829 986656243 /nfs/dbraw/zinc/65/62/43/986656243.db2.gz LWPXDARLIPZGOM-UHFFFAOYSA-N 0 2 408.476 3.775 20 0 HHADLN COC(=O)[C@H](NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)c1ccsc1 ZINC000468990799 986697016 /nfs/dbraw/zinc/69/70/16/986697016.db2.gz QJVPKDJALJSSEU-LLVKDONJSA-N 0 2 413.826 3.613 20 0 HHADLN CC[C@@H](C)[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(F)(F)F ZINC000444537708 986727001 /nfs/dbraw/zinc/72/70/01/986727001.db2.gz AUTUQCKLZQQZLP-ZWNOBZJWSA-N 0 2 421.466 3.651 20 0 HHADLN CCC(=O)c1cccc(S(=O)(=O)Nc2c(C)cnn2Cc2ccccc2F)c1 ZINC000469023995 986733209 /nfs/dbraw/zinc/73/32/09/986733209.db2.gz SQIUFRKVDFKZOH-UHFFFAOYSA-N 0 2 401.463 3.772 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2cnn(C(F)F)c2)cc1Cl ZINC000463777078 986767385 /nfs/dbraw/zinc/76/73/85/986767385.db2.gz IOOHLXXEWDYEID-UHFFFAOYSA-N 0 2 416.631 3.504 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2ccccc2-n2ccc(C)n2)c1 ZINC000469088508 986801454 /nfs/dbraw/zinc/80/14/54/986801454.db2.gz VGCORKFYTPCXED-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN O=S(=O)(c1cnc2ccccc2c1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000445044380 987173251 /nfs/dbraw/zinc/17/32/51/987173251.db2.gz PDGJNKFTLCSRJS-IBGZPJMESA-N 0 2 405.483 3.546 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccoc1Br ZINC000445173567 987258242 /nfs/dbraw/zinc/25/82/42/987258242.db2.gz PFIWGOLMZYTXLJ-UHFFFAOYSA-N 0 2 412.041 3.842 20 0 HHADLN CC(C)[C@@H]1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)CC1 ZINC000469758356 987411887 /nfs/dbraw/zinc/41/18/87/987411887.db2.gz XAGCASAVSHQTTG-CABCVRRESA-N 0 2 424.592 3.617 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C[C@@H]3CCC[C@@H]3C)cc2)nc(C)n1 ZINC000469838266 987473441 /nfs/dbraw/zinc/47/34/41/987473441.db2.gz JWKOVEVESSFMNB-BBRMVZONSA-N 0 2 402.520 3.659 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)no2)cc1 ZINC000445447027 987517144 /nfs/dbraw/zinc/51/71/44/987517144.db2.gz QQHQTHAALYYTDC-UHFFFAOYSA-N 0 2 420.422 3.939 20 0 HHADLN C[S@](=O)c1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1 ZINC000464001759 988112492 /nfs/dbraw/zinc/11/24/92/988112492.db2.gz BCVZTHJUSGNLQG-DEOSSOPVSA-N 0 2 404.289 3.829 20 0 HHADLN CSc1ccc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)cc1Cl ZINC000464413090 988583898 /nfs/dbraw/zinc/58/38/98/988583898.db2.gz BDFAAJGMNIOXFZ-UHFFFAOYSA-N 0 2 403.860 3.819 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(SC)c(Cl)c2)nc1C1CC1 ZINC000464417830 988589227 /nfs/dbraw/zinc/58/92/27/988589227.db2.gz IMRWMRLQEWXCBF-UHFFFAOYSA-N 0 2 418.949 3.983 20 0 HHADLN CCOc1cccc(CNC(=O)N=c2nc(-c3ccccc3)[nH]s2)c1OC(F)F ZINC000464843822 989092057 /nfs/dbraw/zinc/09/20/57/989092057.db2.gz AVYIBLGNWWYNII-UHFFFAOYSA-N 0 2 420.441 3.949 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3nc4c(ccc(F)c4C)s3)cc2C[C@H]1C ZINC000464909559 989185405 /nfs/dbraw/zinc/18/54/05/989185405.db2.gz DLWHCTDDGQTUDC-SNVBAGLBSA-N 0 2 419.503 3.842 20 0 HHADLN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)N=c3nc(-c4ccccc4)[nH]s3)ccc2NC1=O ZINC000465061655 989386637 /nfs/dbraw/zinc/38/66/37/989386637.db2.gz RALRFRZBNUWAQV-WBMJQRKESA-N 0 2 423.498 3.619 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)c(Cl)cc1F ZINC000471494354 989692281 /nfs/dbraw/zinc/69/22/81/989692281.db2.gz AXPCKPLTRZEPOU-UHFFFAOYSA-N 0 2 415.277 3.882 20 0 HHADLN CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(Br)c(OC)c2)[nH]n1 ZINC000471508175 989706420 /nfs/dbraw/zinc/70/64/20/989706420.db2.gz QZTDIPWDTATHCF-JTQLQIEISA-N 0 2 402.314 3.885 20 0 HHADLN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2cccc3ccn(C)c32)c1 ZINC000471570664 989772245 /nfs/dbraw/zinc/77/22/45/989772245.db2.gz NYPCZMZWEOMEGH-UHFFFAOYSA-N 0 2 408.321 3.808 20 0 HHADLN Cn1ccc([C@H](NCc2nnc(COc3ccccc3)[nH]2)c2ccc(Cl)cc2)n1 ZINC000471595530 989799054 /nfs/dbraw/zinc/79/90/54/989799054.db2.gz UWEMRHCYWDHKLA-OAQYLSRUSA-N 0 2 408.893 3.650 20 0 HHADLN COc1ccc(-c2n[nH]c(NC(=O)c3ncoc3-c3ccc(F)cc3)n2)c(OC)c1 ZINC000471779484 989968353 /nfs/dbraw/zinc/96/83/53/989968353.db2.gz IJJPLPSFSOWFIS-UHFFFAOYSA-N 0 2 409.377 3.535 20 0 HHADLN Cc1cc(Br)ccc1S(=O)(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000471918725 990085813 /nfs/dbraw/zinc/08/58/13/990085813.db2.gz KZPJMNCQUPSMKS-UHFFFAOYSA-N 0 2 416.244 3.515 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 ZINC000471922892 990089499 /nfs/dbraw/zinc/08/94/99/990089499.db2.gz HGQPIGUPQYFJGK-UHFFFAOYSA-N 0 2 415.953 3.501 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2ccnn2-c2cccc(F)c2)cc1OCC ZINC000471926211 990092417 /nfs/dbraw/zinc/09/24/17/990092417.db2.gz AKUZTHMYHYPCQC-UHFFFAOYSA-N 0 2 405.451 3.610 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 ZINC000466346892 991605688 /nfs/dbraw/zinc/60/56/88/991605688.db2.gz NTMORNCMJKPFFV-UHFFFAOYSA-N 0 2 416.430 3.909 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ncc(Cc2cccc(F)c2)s1 ZINC000466391019 991681244 /nfs/dbraw/zinc/68/12/44/991681244.db2.gz XIKUHJXCDSHPOV-UHFFFAOYSA-N 0 2 424.450 3.600 20 0 HHADLN Cn1cc(-c2ncccc2NS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)cn1 ZINC000466420386 991711332 /nfs/dbraw/zinc/71/13/32/991711332.db2.gz ACNVWPDKDATMSJ-UHFFFAOYSA-N 0 2 416.812 3.955 20 0 HHADLN COC(=O)c1ccc(C(C)C)c(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)c1 ZINC000466477650 991769949 /nfs/dbraw/zinc/76/99/49/991769949.db2.gz PEROSTYFLAZMET-UHFFFAOYSA-N 0 2 407.536 3.867 20 0 HHADLN O=C(Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1cccc2ccsc21 ZINC000466814408 992123195 /nfs/dbraw/zinc/12/31/95/992123195.db2.gz RNWHFSQGTLXCDJ-UHFFFAOYSA-N 0 2 416.509 3.806 20 0 HHADLN CC(=O)Nc1ncccc1NS(=O)(=O)c1ccc(OCC(F)F)c2ccccc21 ZINC000466958758 992268463 /nfs/dbraw/zinc/26/84/63/992268463.db2.gz CNNJECLLOMKPEO-UHFFFAOYSA-N 0 2 421.425 3.638 20 0 HHADLN O=S(=O)(Nc1nccc2sccc21)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000467014186 992321324 /nfs/dbraw/zinc/32/13/24/992321324.db2.gz NLYFWOQUWTYRHI-LBPRGKRZSA-N 0 2 408.476 3.652 20 0 HHADLN CCn1c2ccc(S(=O)(=O)Nc3nc4c(s3)CCCCCC4)cc2oc1=O ZINC000467015251 992322330 /nfs/dbraw/zinc/32/23/30/992322330.db2.gz QWGCEYRPYCBWLZ-UHFFFAOYSA-N 0 2 407.517 3.531 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2O[C@H](C)c2ccccc2)cn1C ZINC000467094887 992400879 /nfs/dbraw/zinc/40/08/79/992400879.db2.gz ZRCXLFYFTIQXCU-OAHLLOKOSA-N 0 2 414.483 3.753 20 0 HHADLN CCOc1ccc2nc(NS(=O)(=O)c3ccc(C)c(C(=O)OC)c3)sc2c1 ZINC000467434185 992732185 /nfs/dbraw/zinc/73/21/85/992732185.db2.gz BXSFGRLHTYVKKR-UHFFFAOYSA-N 0 2 406.485 3.591 20 0 HHADLN COCCn1ccc2ccc(NC(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)cc21 ZINC000467460808 992753929 /nfs/dbraw/zinc/75/39/29/992753929.db2.gz YVPLWJNBTWGUIF-UHFFFAOYSA-N 0 2 411.487 3.662 20 0 HHADLN CCC[C@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000467473762 992766200 /nfs/dbraw/zinc/76/62/00/992766200.db2.gz HNRUMKYAXNGNHG-AWEZNQCLSA-N 0 2 408.549 3.988 20 0 HHADLN Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000467756649 993001667 /nfs/dbraw/zinc/00/16/67/993001667.db2.gz AWBDZHMKRSJBJS-UHFFFAOYSA-N 0 2 402.369 3.838 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000472182071 993223483 /nfs/dbraw/zinc/22/34/83/993223483.db2.gz LHQISRFJGRIOET-AEFFLSMTSA-N 0 2 409.465 3.658 20 0 HHADLN Cc1cc(Br)cc(Cl)c1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000480870728 993738618 /nfs/dbraw/zinc/73/86/18/993738618.db2.gz ZWXTZZZGJRKRPV-UHFFFAOYSA-N 0 2 409.696 3.999 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N(CC1CC1)CC1CC1 ZINC000481029214 993873624 /nfs/dbraw/zinc/87/36/24/993873624.db2.gz ZRTLKYFNHLYKLN-UHFFFAOYSA-N 0 2 406.533 3.598 20 0 HHADLN CCS[C@H]1CCC[C@@H]1NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000481358604 994185080 /nfs/dbraw/zinc/18/50/80/994185080.db2.gz LNCVHOZXGKLAQP-JQWIXIFHSA-N 0 2 412.911 3.529 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccnn3[C@H](C)C3CC3)cc2c1C ZINC000473478938 994323326 /nfs/dbraw/zinc/32/33/26/994323326.db2.gz BEXFGGZVUPDLII-CYBMUJFWSA-N 0 2 417.487 3.886 20 0 HHADLN Cc1noc(-c2ccccc2)c1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000481499111 994331254 /nfs/dbraw/zinc/33/12/54/994331254.db2.gz BSODTGIYRFXATC-UHFFFAOYSA-N 0 2 404.430 3.669 20 0 HHADLN COc1cc2c(cc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl)NC(=O)CC2 ZINC000473487242 994331414 /nfs/dbraw/zinc/33/14/14/994331414.db2.gz HHDBQLFZJLGMAO-UHFFFAOYSA-N 0 2 419.261 3.827 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(Br)cc1F ZINC000473503219 994351800 /nfs/dbraw/zinc/35/18/00/994351800.db2.gz LXDKTXKTDJLWAV-UHFFFAOYSA-N 0 2 420.242 3.607 20 0 HHADLN Cc1coc(-c2cc(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)ccc2C)n1 ZINC000481607507 994460238 /nfs/dbraw/zinc/46/02/38/994460238.db2.gz KJFJPVZWWFSDGL-UHFFFAOYSA-N 0 2 409.471 3.648 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)cc1Br ZINC000473757391 994668214 /nfs/dbraw/zinc/66/82/14/994668214.db2.gz RQTOCGHXOHNQSH-UHFFFAOYSA-N 0 2 417.228 3.734 20 0 HHADLN Cc1cc2c(cc1S(=O)(=O)Nc1nnc(-c3cc4ccccc4o3)s1)OCO2 ZINC000481836911 994688047 /nfs/dbraw/zinc/68/80/47/994688047.db2.gz DLTPHBMWTBDZAM-UHFFFAOYSA-N 0 2 415.452 3.789 20 0 HHADLN Cc1c(Cl)cc(F)c(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)c1F ZINC000473770164 994689959 /nfs/dbraw/zinc/68/99/59/994689959.db2.gz IVNHWOPFJBDNPV-UHFFFAOYSA-N 0 2 407.808 3.945 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3cc(C)c(OC)c(C)c3)o2)cc1 ZINC000481841941 994696550 /nfs/dbraw/zinc/69/65/50/994696550.db2.gz OKLXIUIIWJSKGG-UHFFFAOYSA-N 0 2 403.460 3.562 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3ccccc3Br)o2)cc1 ZINC000481865276 994725602 /nfs/dbraw/zinc/72/56/02/994725602.db2.gz VEEKMCRILKFQJT-UHFFFAOYSA-N 0 2 424.276 3.699 20 0 HHADLN Cc1ccc(Br)cc1S(=O)(=O)Nc1nnc(Cc2ccccc2)o1 ZINC000481867596 994729114 /nfs/dbraw/zinc/72/91/14/994729114.db2.gz MDQFJOKKWYIUOD-UHFFFAOYSA-N 0 2 408.277 3.532 20 0 HHADLN CCc1cc(Br)cc2sc(NS(=O)(=O)c3cnn(CC)c3)nc21 ZINC000481876566 994741542 /nfs/dbraw/zinc/74/15/42/994741542.db2.gz UEVOEFWCMWULMY-UHFFFAOYSA-N 0 2 415.338 3.638 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc2cc(F)c(C)cc2s1 ZINC000481882655 994747915 /nfs/dbraw/zinc/74/79/15/994747915.db2.gz LXNGFLWTXCDBDK-UHFFFAOYSA-N 0 2 409.464 3.512 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(C)o2)c2ccccc12 ZINC000481917615 994789415 /nfs/dbraw/zinc/78/94/15/994789415.db2.gz DTZPPUDFRJTFFQ-UHFFFAOYSA-N 0 2 424.482 3.745 20 0 HHADLN Cc1ccc2cccnc2c1S(=O)(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC000481917628 994790036 /nfs/dbraw/zinc/79/00/36/994790036.db2.gz DWJCMVMMIZDUNF-UHFFFAOYSA-N 0 2 422.514 3.617 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccccc2)s1)c1ccc(OCC(F)(F)F)nc1 ZINC000481925499 994797264 /nfs/dbraw/zinc/79/72/64/994797264.db2.gz TTZWKMCWFQAVIK-UHFFFAOYSA-N 0 2 415.418 3.947 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3c(C)ccc4cccnc43)s2)cc1 ZINC000481940369 994816072 /nfs/dbraw/zinc/81/60/72/994816072.db2.gz FDIQNAJFQVGCRI-UHFFFAOYSA-N 0 2 412.496 3.871 20 0 HHADLN NC(=O)c1ccccc1Oc1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1 ZINC000481955758 994839017 /nfs/dbraw/zinc/83/90/17/994839017.db2.gz IBSPXNPRSNDOLZ-UHFFFAOYSA-N 0 2 404.394 3.657 20 0 HHADLN Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000481960408 994845626 /nfs/dbraw/zinc/84/56/26/994845626.db2.gz CJWCBJLNAUIVAO-UHFFFAOYSA-N 0 2 418.478 3.991 20 0 HHADLN O=C(NCCc1cccc(Cl)c1Cl)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473913621 994879293 /nfs/dbraw/zinc/87/92/93/994879293.db2.gz VDBCYNBMDYQSEM-UHFFFAOYSA-N 0 2 420.300 3.732 20 0 HHADLN CC(C)(C)OCc1cccc(CNC(=O)NCc2nnc(COc3ccccc3)[nH]2)c1 ZINC000473942943 994918272 /nfs/dbraw/zinc/91/82/72/994918272.db2.gz ZBXZZKPRAFAAKD-UHFFFAOYSA-N 0 2 423.517 3.698 20 0 HHADLN Cc1cc([C@H](NC(=O)NCc2nnc(COc3ccccc3)[nH]2)C2CC2)ccc1F ZINC000474010234 995000374 /nfs/dbraw/zinc/00/03/74/995000374.db2.gz KHUPTSUMBYDURP-OAQYLSRUSA-N 0 2 409.465 3.782 20 0 HHADLN CC[C@@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)C(C)(C)c1ccccc1 ZINC000474039082 995029615 /nfs/dbraw/zinc/02/96/15/995029615.db2.gz SGKNGGHERRZOIY-LJQANCHMSA-N 0 2 407.518 3.939 20 0 HHADLN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474073925 995059448 /nfs/dbraw/zinc/05/94/48/995059448.db2.gz OKUHPCRMPPDVCQ-ZDUSSCGKSA-N 0 2 401.417 3.565 20 0 HHADLN Cc1ccccc1C[C@H]1CCCN1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474083446 995067462 /nfs/dbraw/zinc/06/74/62/995067462.db2.gz WDTQZZUWEWOHCC-LJQANCHMSA-N 0 2 405.502 3.609 20 0 HHADLN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)NCc2nnc(COc3ccccc3)[nH]2)c1 ZINC000474086247 995069147 /nfs/dbraw/zinc/06/91/47/995069147.db2.gz CFWSQNFRFUWDTC-JXFKEZNVSA-N 0 2 421.501 3.685 20 0 HHADLN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474090595 995072685 /nfs/dbraw/zinc/07/26/85/995072685.db2.gz TWEMYCJPOXHOBF-OAHLLOKOSA-N 0 2 413.909 3.810 20 0 HHADLN C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1 ZINC000474091223 995073696 /nfs/dbraw/zinc/07/36/96/995073696.db2.gz VWGFVMCZLGHBQG-HNAYVOBHSA-N 0 2 409.465 3.816 20 0 HHADLN CCCN(C(=O)NCc1nnc(COc2ccccc2)[nH]1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000474092613 995075240 /nfs/dbraw/zinc/07/52/40/995075240.db2.gz CEFWQRDXFLPCRC-QZTJIDSGSA-N 0 2 415.538 3.509 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CC[C@H](CSc2ccccc2)C1 ZINC000474095758 995077376 /nfs/dbraw/zinc/07/73/76/995077376.db2.gz NLQIZVRFJKITNV-KRWDZBQOSA-N 0 2 423.542 3.708 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(C4CCCCC4)n[nH]3)cc2C[C@@H]1C ZINC000474407890 995374763 /nfs/dbraw/zinc/37/47/63/995374763.db2.gz DCSKXOIROGHLCO-ZDUSSCGKSA-N 0 2 402.520 3.556 20 0 HHADLN C[C@H]1Cc2cc(S(=O)(=O)Nc3nnc(-c4ccccc4)s3)cc(Cl)c2O1 ZINC000474411572 995377273 /nfs/dbraw/zinc/37/72/73/995377273.db2.gz GUILHPPLDKZEHU-JTQLQIEISA-N 0 2 407.904 3.983 20 0 HHADLN Cc1ccc(-c2nc(C(=O)NCc3nnc(COc4ccccc4)[nH]3)cs2)cc1 ZINC000474574797 995536041 /nfs/dbraw/zinc/53/60/41/995536041.db2.gz KEFBZGHXBABWHX-UHFFFAOYSA-N 0 2 405.483 3.746 20 0 HHADLN O=C(CSc1cccc(C(F)(F)F)c1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474584187 995544052 /nfs/dbraw/zinc/54/40/52/995544052.db2.gz IYZWMIARNJMPQU-UHFFFAOYSA-N 0 2 422.432 3.811 20 0 HHADLN COCCOc1ccc(Cl)cc1C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000482537072 995545162 /nfs/dbraw/zinc/54/51/62/995545162.db2.gz RGDBMRHWBBSYNQ-UHFFFAOYSA-N 0 2 419.890 3.567 20 0 HHADLN COc1cc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)ccc1OC1CCCC1 ZINC000474587334 995546656 /nfs/dbraw/zinc/54/66/56/995546656.db2.gz SONSYKCUPGTNCV-UHFFFAOYSA-N 0 2 422.485 3.644 20 0 HHADLN Cc1ccc(-c2nc(C)c(C(=O)NCc3nnc(COc4ccccc4)[nH]3)s2)o1 ZINC000474588182 995547615 /nfs/dbraw/zinc/54/76/15/995547615.db2.gz AVZXOFSTUSZOKD-UHFFFAOYSA-N 0 2 409.471 3.647 20 0 HHADLN CCCOc1nc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)cc2ccccc21 ZINC000474591634 995549913 /nfs/dbraw/zinc/54/99/13/995549913.db2.gz JTSQYTVSBPSSAF-UHFFFAOYSA-N 0 2 417.469 3.651 20 0 HHADLN C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474592285 995550641 /nfs/dbraw/zinc/55/06/41/995550641.db2.gz NJBSVWICWXEEAA-CQSZACIVSA-N 0 2 418.419 3.898 20 0 HHADLN O=C(CCc1ccc(-c2ccccc2)o1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474597182 995554697 /nfs/dbraw/zinc/55/46/97/995554697.db2.gz UKZFLBBFLHWWMW-UHFFFAOYSA-N 0 2 402.454 3.893 20 0 HHADLN CCc1c(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)cnn1-c1ccc(OC)cc1 ZINC000474859852 995757790 /nfs/dbraw/zinc/75/77/90/995757790.db2.gz MYPNVSNFVMKFST-UHFFFAOYSA-N 0 2 406.421 3.620 20 0 HHADLN CC(C)c1nc2c([nH]1)C[C@H](C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000474905792 995792111 /nfs/dbraw/zinc/79/21/11/995792111.db2.gz JDRMHJRFAAHSIY-GUDVDZBRSA-N 0 2 424.589 3.564 20 0 HHADLN COCCOc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)c(Cl)c1 ZINC000474930219 995807802 /nfs/dbraw/zinc/80/78/02/995807802.db2.gz LAJMZEIMGQRMGM-UHFFFAOYSA-N 0 2 408.792 3.681 20 0 HHADLN COCCOc1cccc(CCC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c1 ZINC000475253043 996026983 /nfs/dbraw/zinc/02/69/83/996026983.db2.gz DYKCTNXZMJMBQH-UHFFFAOYSA-N 0 2 417.918 3.877 20 0 HHADLN COc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c(OCC(C)C)c1 ZINC000475351961 996084785 /nfs/dbraw/zinc/08/47/85/996084785.db2.gz MPWYUBVWIFJHIR-UHFFFAOYSA-N 0 2 401.488 3.713 20 0 HHADLN COC(=O)COc1ccc(NS(=O)(=O)c2cc(F)c(C)cc2F)c2ccccc12 ZINC000475744699 996343038 /nfs/dbraw/zinc/34/30/38/996343038.db2.gz AYMITDWXAIFWKX-UHFFFAOYSA-N 0 2 421.421 3.779 20 0 HHADLN Cc1ccc(C(=O)NCC(F)(F)F)cc1NS(=O)(=O)c1cc(F)c(C)cc1F ZINC000475748354 996345911 /nfs/dbraw/zinc/34/59/11/996345911.db2.gz LELKRPYDTVUMQT-UHFFFAOYSA-N 0 2 422.375 3.675 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccccc2OC(F)F)c(Br)c1 ZINC000475813713 996387641 /nfs/dbraw/zinc/38/76/41/996387641.db2.gz PFMBAMRRHSGSTJ-UHFFFAOYSA-N 0 2 408.220 3.860 20 0 HHADLN Cc1nc(-c2ccccc2NS(=O)(=O)c2cnn(-c3ccccn3)c2C)cs1 ZINC000475828454 996397690 /nfs/dbraw/zinc/39/76/90/996397690.db2.gz QIEOEJDEPHNWQQ-UHFFFAOYSA-N 0 2 411.512 3.808 20 0 HHADLN Cc1ccc(-c2ccc(C)c(NS(=O)(=O)c3cnn(C4CCOCC4)c3)c2)o1 ZINC000475836243 996404636 /nfs/dbraw/zinc/40/46/36/996404636.db2.gz USUNUKPJNHDVPQ-UHFFFAOYSA-N 0 2 401.488 3.912 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC[C@@]3(C2)OCc2ccccc23)=N1 ZINC000483869244 996437790 /nfs/dbraw/zinc/43/77/90/996437790.db2.gz YLTFQZMFLKDSNP-DEOSSOPVSA-N 0 2 403.482 3.802 20 0 HHADLN Cn1cc(-c2ncc(C(=O)Nc3nc(-c4ccc(C(C)(C)C)cc4)n[nH]3)s2)cn1 ZINC000484131801 996587541 /nfs/dbraw/zinc/58/75/41/996587541.db2.gz KPUUCWINWUTLGL-UHFFFAOYSA-N 0 2 407.503 3.879 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000484194921 996629022 /nfs/dbraw/zinc/62/90/22/996629022.db2.gz SYRIWCCMONOFPD-UHFFFAOYSA-N 0 2 411.476 3.624 20 0 HHADLN CCCc1cc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)n(C)n1 ZINC000476230061 996692374 /nfs/dbraw/zinc/69/23/74/996692374.db2.gz KHOHXYZKRCGZJG-UHFFFAOYSA-N 0 2 410.696 3.728 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCc4cc(Cl)ccc4C3)s[nH]2)c1 ZINC000484352675 996722586 /nfs/dbraw/zinc/72/25/86/996722586.db2.gz QSBPWZQENGEDRS-UHFFFAOYSA-N 0 2 400.891 3.879 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)COc3cccc(C(F)(F)F)c3)s[nH]2)c1 ZINC000476312907 996748490 /nfs/dbraw/zinc/74/84/90/996748490.db2.gz CPRYBWQCIMBJGY-UHFFFAOYSA-N 0 2 409.389 3.672 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(Br)cc3F)s[nH]2)c1 ZINC000476327640 996758566 /nfs/dbraw/zinc/75/85/66/996758566.db2.gz WAHRXYZBVFHAOM-UHFFFAOYSA-N 0 2 408.252 3.790 20 0 HHADLN COc1cc(C)ccc1NS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000476385874 996831443 /nfs/dbraw/zinc/83/14/43/996831443.db2.gz LFFCNJUNAUXHFH-UHFFFAOYSA-N 0 2 400.294 3.884 20 0 HHADLN COc1ncc(C)cc1NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000476388079 996834562 /nfs/dbraw/zinc/83/45/62/996834562.db2.gz CGNDZLBJASERSA-UHFFFAOYSA-N 0 2 422.400 3.616 20 0 HHADLN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)cc1F ZINC000476406691 996865372 /nfs/dbraw/zinc/86/53/72/996865372.db2.gz ODQAYJBTBUJPCA-LLVKDONJSA-N 0 2 423.466 3.713 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)OC)oc2CC)c(C(F)(F)F)c1 ZINC000484565358 996898934 /nfs/dbraw/zinc/89/89/34/996898934.db2.gz IAFKNHPMELDLOR-UHFFFAOYSA-N 0 2 421.393 3.847 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000484571098 996904081 /nfs/dbraw/zinc/90/40/81/996904081.db2.gz MSRNYSPMXPPXIG-UHFFFAOYSA-N 0 2 406.485 3.917 20 0 HHADLN Cc1ccc(Br)cc1S(=O)(=O)Nc1nnc(-c2cccs2)o1 ZINC000476447436 996920211 /nfs/dbraw/zinc/92/02/11/996920211.db2.gz MLIMWYKVCQQBJE-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccccc2OCC(F)(F)F)c1C ZINC000476481303 996961397 /nfs/dbraw/zinc/96/13/97/996961397.db2.gz LKWDNQLOHMKFNW-UHFFFAOYSA-N 0 2 420.409 3.550 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000484639067 996974182 /nfs/dbraw/zinc/97/41/82/996974182.db2.gz CKWVFPIVWOPDPN-UHFFFAOYSA-N 0 2 415.427 3.566 20 0 HHADLN C[C@H](CNC(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1)Oc1ccccc1Cl ZINC000484709906 997048812 /nfs/dbraw/zinc/04/88/12/997048812.db2.gz WMQRUPBXKLCUNK-GFCCVEGCSA-N 0 2 413.861 3.881 20 0 HHADLN C[C@@H](CNC(=O)C(=O)Nc1ccc2nc(C3CC3)oc2c1)Oc1ccccc1Cl ZINC000484709907 997049103 /nfs/dbraw/zinc/04/91/03/997049103.db2.gz WMQRUPBXKLCUNK-LBPRGKRZSA-N 0 2 413.861 3.881 20 0 HHADLN O=C(CCCC(=O)c1ccc2c(c1)OCCO2)NCCc1ccc2ccccc2n1 ZINC000484710215 997049217 /nfs/dbraw/zinc/04/92/17/997049217.db2.gz AHSCJBMHVRBTBC-UHFFFAOYSA-N 0 2 404.466 3.718 20 0 HHADLN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)NC(=O)c1c[nH]c2nc(C)ccc2c1=O ZINC000484732563 997075014 /nfs/dbraw/zinc/07/50/14/997075014.db2.gz DELHUXJSDRYNNZ-SNVBAGLBSA-N 0 2 407.396 3.510 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CCC(C(F)F)CC2)cc1 ZINC000484739114 997082308 /nfs/dbraw/zinc/08/23/08/997082308.db2.gz SDTFUCWGTLTMNL-UHFFFAOYSA-N 0 2 414.499 3.975 20 0 HHADLN O=C(N[C@H]1C[C@H]1C1CCCCC1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476697389 997237771 /nfs/dbraw/zinc/23/77/71/997237771.db2.gz XFFYAGZEMAQLAI-IRXDYDNUSA-N 0 2 405.545 3.643 20 0 HHADLN C[C@H](c1ccccc1)N(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476725704 997273981 /nfs/dbraw/zinc/27/39/81/997273981.db2.gz ZDBSNXOSAFQNTN-CQSZACIVSA-N 0 2 401.513 3.777 20 0 HHADLN CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC1 ZINC000476749522 997304167 /nfs/dbraw/zinc/30/41/67/997304167.db2.gz VASFDMPCWWXJLR-KGLIPLIRSA-N 0 2 407.561 3.983 20 0 HHADLN CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476751970 997307282 /nfs/dbraw/zinc/30/72/82/997307282.db2.gz AWSNNGFFTAFNAD-KRWDZBQOSA-N 0 2 415.540 3.695 20 0 HHADLN Cc1ccsc1CN(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485009727 997374436 /nfs/dbraw/zinc/37/44/36/997374436.db2.gz RDSPKIZBLYFRPP-UHFFFAOYSA-N 0 2 422.557 3.978 20 0 HHADLN COc1c(F)cc(NS(=O)(=O)c2cc(Br)c(F)cc2F)cc1F ZINC000485027842 997392657 /nfs/dbraw/zinc/39/26/57/997392657.db2.gz WMSQFVBLPJHXPD-UHFFFAOYSA-N 0 2 414.174 3.815 20 0 HHADLN CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000485097330 997472499 /nfs/dbraw/zinc/47/24/99/997472499.db2.gz DFIXAJPRUMKHCC-UHFFFAOYSA-N 0 2 419.247 3.795 20 0 HHADLN CCOc1cc(NS(=O)(=O)c2cc(Br)c(F)cc2F)ccc1OC ZINC000485108062 997488867 /nfs/dbraw/zinc/48/88/67/997488867.db2.gz XHMPNYMDIYUVRY-UHFFFAOYSA-N 0 2 422.247 3.935 20 0 HHADLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000476908875 997515276 /nfs/dbraw/zinc/51/52/76/997515276.db2.gz NGPHQBDORVOGGA-UHFFFAOYSA-N 0 2 412.876 3.546 20 0 HHADLN CSCC[C@@H](C)N(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485371514 997797388 /nfs/dbraw/zinc/79/73/88/997797388.db2.gz QCGPFYRYSJOKMB-GFCCVEGCSA-N 0 2 414.578 3.549 20 0 HHADLN CC[C@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccncc1 ZINC000485374804 997801194 /nfs/dbraw/zinc/80/11/94/997801194.db2.gz XHVTUMJHKSSGOK-INIZCTEOSA-N 0 2 417.516 3.612 20 0 HHADLN C[C@@H]1CC(NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C[C@@H](C)C1 ZINC000485381353 997809260 /nfs/dbraw/zinc/80/92/60/997809260.db2.gz JMJSNTKLOWMEQP-STQMWFEESA-N 0 2 408.549 3.890 20 0 HHADLN CC(=O)Nc1cccc(NS(=O)(=O)c2cc(Br)c(F)cc2F)c1C ZINC000485382540 997810423 /nfs/dbraw/zinc/81/04/23/997810423.db2.gz OUFJVJYKLHVBAJ-UHFFFAOYSA-N 0 2 419.247 3.795 20 0 HHADLN Cc1cccc(OC(F)F)c1NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000477165342 997829395 /nfs/dbraw/zinc/82/93/95/997829395.db2.gz RJFJLZFEZBFXAR-UHFFFAOYSA-N 0 2 412.336 3.733 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1c(F)cccc1Cl ZINC000485492148 997943930 /nfs/dbraw/zinc/94/39/30/997943930.db2.gz MYBWLTCHTRJPBP-UHFFFAOYSA-N 0 2 411.867 3.989 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2)c2ccccc12 ZINC000477336804 998024442 /nfs/dbraw/zinc/02/44/42/998024442.db2.gz CORZSPROOKECAX-UHFFFAOYSA-N 0 2 424.457 3.924 20 0 HHADLN Cc1nc(C)n(-c2ccccc2NS(=O)(=O)c2ccccc2OC(F)(F)F)n1 ZINC000477435135 998130761 /nfs/dbraw/zinc/13/07/61/998130761.db2.gz JZTIBCPJONDDKA-UHFFFAOYSA-N 0 2 412.393 3.584 20 0 HHADLN O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)C1=NN(c2ccccc2)CC1=O ZINC000485899778 998352221 /nfs/dbraw/zinc/35/22/21/998352221.db2.gz WBHCBUYFOORRPF-UHFFFAOYSA-N 0 2 420.856 3.694 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cc1 ZINC000486076021 998523422 /nfs/dbraw/zinc/52/34/22/998523422.db2.gz CXKHSUJSRUKECA-UHFFFAOYSA-N 0 2 412.515 3.779 20 0 HHADLN C[C@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)c1ccc(Br)cn1 ZINC000477794567 998547651 /nfs/dbraw/zinc/54/76/51/998547651.db2.gz OJOSBCWSETWPHN-JTQLQIEISA-N 0 2 421.682 3.880 20 0 HHADLN CN(CCc1ccc(Br)cc1)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000486351463 998724881 /nfs/dbraw/zinc/72/48/81/998724881.db2.gz XAPQULCLRRXLAO-UHFFFAOYSA-N 0 2 400.276 3.655 20 0 HHADLN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3csc(-c4cnccn4)n3)n2)cc1 ZINC000478039879 998729000 /nfs/dbraw/zinc/72/90/00/998729000.db2.gz IKWFYNYTDZSSCC-UHFFFAOYSA-N 0 2 405.487 3.935 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2ccccc2OCc2cscn2)c1 ZINC000486488040 998790935 /nfs/dbraw/zinc/79/09/35/998790935.db2.gz NCUOODPZLSPRCG-UHFFFAOYSA-N 0 2 406.485 3.540 20 0 HHADLN Cc1ccc(F)cc1S(=O)(=O)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 ZINC000486543630 998817135 /nfs/dbraw/zinc/81/71/35/998817135.db2.gz XRYLFFRQVAMAAG-UHFFFAOYSA-N 0 2 401.250 3.822 20 0 HHADLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3cc(-c4ccc(Cl)s4)nn3C)ccc2O1 ZINC000486553009 998822135 /nfs/dbraw/zinc/82/21/35/998822135.db2.gz XTLWSEVCBRJAIT-SNVBAGLBSA-N 0 2 409.920 3.926 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000486573116 998834760 /nfs/dbraw/zinc/83/47/60/998834760.db2.gz QYBFFZGICFOTFN-UHFFFAOYSA-N 0 2 413.883 3.731 20 0 HHADLN Cn1cc(-c2ccnc(NS(=O)(=O)c3csc4ccc(Cl)cc43)n2)cn1 ZINC000486573618 998835090 /nfs/dbraw/zinc/83/50/90/998835090.db2.gz SRJFWIFKEBGAAA-UHFFFAOYSA-N 0 2 405.892 3.546 20 0 HHADLN COC(=O)c1cccc(CS(=O)(=O)Nc2cc(-c3cccc(Cl)c3)on2)c1 ZINC000486576554 998837048 /nfs/dbraw/zinc/83/70/48/998837048.db2.gz RSCZXSLVMLOVDG-UHFFFAOYSA-N 0 2 406.847 3.724 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1nc2cc(Cl)ccc2s1 ZINC000486843608 998968743 /nfs/dbraw/zinc/96/87/43/998968743.db2.gz IBXHTCANUCWFMP-UHFFFAOYSA-N 0 2 400.865 3.693 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(CC(C)(C)C)nn1-c1ccccc1 ZINC000479065068 999277054 /nfs/dbraw/zinc/27/70/54/999277054.db2.gz GLICYMOXTBLXLS-UHFFFAOYSA-N 0 2 401.536 3.612 20 0 HHADLN CC(C)(C)Cc1nc2cc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)ccc2o1 ZINC000479068257 999278348 /nfs/dbraw/zinc/27/83/48/999278348.db2.gz NYCGZDBBRPUHDU-UHFFFAOYSA-N 0 2 416.425 3.976 20 0 HHADLN C[C@]([N-]S(=O)(=O)c1ccccc1Cn1cc[nH+]c1)(c1ccccc1)C(F)(F)F ZINC000479164564 999304529 /nfs/dbraw/zinc/30/45/29/999304529.db2.gz ZONYYFZDGFMBFG-SFHVURJKSA-N 0 2 409.433 3.687 20 0 HHADLN CC(C)(C)c1cnc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)s1 ZINC000479190501 999318488 /nfs/dbraw/zinc/31/84/88/999318488.db2.gz JLKKCQGAJVHXHI-UHFFFAOYSA-N 0 2 411.524 3.617 20 0 HHADLN O=S(=O)(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccc(Cl)cc1F ZINC000479242021 999341740 /nfs/dbraw/zinc/34/17/40/999341740.db2.gz JUBQEFHRQFBVGJ-UHFFFAOYSA-N 0 2 402.838 3.990 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)c(OC)c1 ZINC000488301086 999429846 /nfs/dbraw/zinc/42/98/46/999429846.db2.gz PTMCALXGNCLGAD-UHFFFAOYSA-N 0 2 405.394 3.618 20 0 HHADLN O=S(=O)(Nc1ccc(-c2csnn2)cc1)c1ccc(Br)cc1F ZINC000479483935 999438176 /nfs/dbraw/zinc/43/81/76/999438176.db2.gz ZEXXGBXYWBEMLL-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN O=S(=O)(Nc1ccc(Br)c(Cl)c1)c1cnn(CC(F)(F)F)c1 ZINC000479492499 999442382 /nfs/dbraw/zinc/44/23/82/999442382.db2.gz VZROCVMZODMAED-UHFFFAOYSA-N 0 2 418.622 3.662 20 0 HHADLN C[C@H](C1CC1)n1cc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cn1 ZINC000488337298 999446824 /nfs/dbraw/zinc/44/68/24/999446824.db2.gz RYGZORZSDJCXRA-MRVPVSSYSA-N 0 2 406.252 3.696 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1OCCC(C)C ZINC000479508208 999450883 /nfs/dbraw/zinc/45/08/83/999450883.db2.gz CFWOOZVIRVPFCR-UHFFFAOYSA-N 0 2 405.442 3.980 20 0 HHADLN CCc1cc(Br)ccc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000479522426 999458915 /nfs/dbraw/zinc/45/89/15/999458915.db2.gz COYOOMILOZXFEK-UHFFFAOYSA-N 0 2 412.231 3.571 20 0 HHADLN O=S(=O)(Nc1cccc(-n2cc(C(F)(F)F)cn2)c1)c1cccc(F)c1F ZINC000479534776 999465234 /nfs/dbraw/zinc/46/52/34/999465234.db2.gz XWYKFRNJAHCLLG-UHFFFAOYSA-N 0 2 403.332 3.970 20 0 HHADLN CCCCOc1ccc(NS(=O)(=O)c2ccccc2C(=O)N(C)CCCC)cn1 ZINC000479546127 999470937 /nfs/dbraw/zinc/47/09/37/999470937.db2.gz VJAGBZAPRFPYOH-UHFFFAOYSA-N 0 2 419.547 3.933 20 0 HHADLN CCc1cnc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)s1 ZINC000488650932 999558829 /nfs/dbraw/zinc/55/88/29/999558829.db2.gz WPPJPZVUOUTIOO-LLVKDONJSA-N 0 2 402.925 3.575 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000479766967 999580739 /nfs/dbraw/zinc/58/07/39/999580739.db2.gz GSBUAQCKHKETBK-UHFFFAOYSA-N 0 2 408.368 3.930 20 0 HHADLN CC[C@@H](Cc1ccccc1Br)N(C)C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000479780903 999588958 /nfs/dbraw/zinc/58/89/58/999588958.db2.gz MOGOOOMZSLHHAE-ZDUSSCGKSA-N 0 2 417.307 3.530 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1c(F)cccc1F)c1cnn(C2CCOCC2)c1 ZINC000488975541 999662055 /nfs/dbraw/zinc/66/20/55/999662055.db2.gz HHTOFIULKKVVMJ-UHFFFAOYSA-N 0 2 419.453 3.981 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)cnn1-c1ccccn1 ZINC000479994695 999678938 /nfs/dbraw/zinc/67/89/38/999678938.db2.gz RTPXLNUHYFTVFH-UHFFFAOYSA-N 0 2 405.892 3.640 20 0 HHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2noc(COc3ccc(F)cc3)n2)s1 ZINC000480137044 999727401 /nfs/dbraw/zinc/72/74/01/999727401.db2.gz VHMHPUAHQGTBAL-UHFFFAOYSA-N 0 2 411.480 3.948 20 0 HHADLN Cc1ccc(OCc2nc(NS(=O)(=O)c3cccc4cc(C)cnc43)no2)cc1 ZINC000480151645 999731643 /nfs/dbraw/zinc/73/16/43/999731643.db2.gz JJYQRAFSLIIXTF-UHFFFAOYSA-N 0 2 410.455 3.614 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)c1C(C)C ZINC000480194214 999741506 /nfs/dbraw/zinc/74/15/06/999741506.db2.gz AJVUUXCJBIMHBU-UHFFFAOYSA-N 0 2 404.536 3.516 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)c(F)c1 ZINC000480198759 999742659 /nfs/dbraw/zinc/74/26/59/999742659.db2.gz UKVKHMJJHZKIKX-OAHLLOKOSA-N 0 2 420.506 3.958 20 0 HHADLN CC(C)c1c(NS(=O)(=O)c2cccc(C(N)=O)c2)cnn1-c1ccccc1Cl ZINC000480199174 999743022 /nfs/dbraw/zinc/74/30/22/999743022.db2.gz KHBWNDSJJUDEEA-UHFFFAOYSA-N 0 2 418.906 3.549 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)c(F)c1 ZINC000480212049 999746665 /nfs/dbraw/zinc/74/66/65/999746665.db2.gz FEKHFCXMNVIBDW-UHFFFAOYSA-N 0 2 420.506 3.816 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)cnn1-c1cccc(Cl)c1 ZINC000480233703 999752355 /nfs/dbraw/zinc/75/23/55/999752355.db2.gz ZWTOWWFKIIGGJA-UHFFFAOYSA-N 0 2 421.906 3.906 20 0 HHADLN CCOC(=O)C1CCC(NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)CC1 ZINC000480235127 999752892 /nfs/dbraw/zinc/75/28/92/999752892.db2.gz TXPRDXBMGBNDBB-UHFFFAOYSA-N 0 2 408.911 3.524 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(Br)c(OC)c2)c1C ZINC000480246916 999755418 /nfs/dbraw/zinc/75/54/18/999755418.db2.gz LNRRRGCWLYSZJS-SNVBAGLBSA-N 0 2 402.314 3.734 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(C(=O)OC)cc2)cnn1-c1ccc(Cl)cc1 ZINC000480245770 999755425 /nfs/dbraw/zinc/75/54/25/999755425.db2.gz XEPDYFHBNYAXIZ-UHFFFAOYSA-N 0 2 419.890 3.676 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc(F)c(F)cc1C(=O)c1ccccc1 ZINC000480575428 999830384 /nfs/dbraw/zinc/83/03/84/999830384.db2.gz DKHVQBKNHYIRGN-UHFFFAOYSA-N 0 2 422.416 3.784 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](CCO)c3ccc(Cl)cc3)s[nH]2)c1 ZINC000480699122 999862398 /nfs/dbraw/zinc/86/23/98/999862398.db2.gz DWSMYHXUFKAUQT-MRXNPFEDSA-N 0 2 418.906 3.534 20 0 HHADLN Cc1nc(S(=O)(=O)NC[C@H]2CCCCC(F)(F)C2)sc1Br ZINC000489996235 999874899 /nfs/dbraw/zinc/87/48/99/999874899.db2.gz KIFWYCZOVFLOIB-VIFPVBQESA-N 0 2 403.314 3.708 20 0 HHADLN Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2cnn(Cc3ccccc3)c2)n1 ZINC000491510596 1000080146 /nfs/dbraw/zinc/08/01/46/1000080146.db2.gz WJOXDDLIMLQZMY-UHFFFAOYSA-N 0 2 407.499 3.535 20 0 HHADLN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 ZINC000491558925 1000083486 /nfs/dbraw/zinc/08/34/86/1000083486.db2.gz HUJMNMYIRXKQBA-ZIAGYGMSSA-N 0 2 424.592 3.569 20 0 HHADLN CN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)c1 ZINC000491607498 1000089731 /nfs/dbraw/zinc/08/97/31/1000089731.db2.gz OWZNXMRQXAPMMI-UHFFFAOYSA-N 0 2 420.494 3.733 20 0 HHADLN CC(C)c1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)n(-c2ncccn2)n1 ZINC000492082619 1000108942 /nfs/dbraw/zinc/10/89/42/1000108942.db2.gz SBIQAEWVHHZEFZ-UHFFFAOYSA-N 0 2 412.302 3.893 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c1 ZINC000492144402 1000111609 /nfs/dbraw/zinc/11/16/09/1000111609.db2.gz PUBUMSWVHUEFCG-LBPRGKRZSA-N 0 2 415.968 3.838 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccccc2F)cccc1-c1nnc2n1CCCCC2 ZINC000504529585 1000252994 /nfs/dbraw/zinc/25/29/94/1000252994.db2.gz GMTVNCDOIYQKPS-UHFFFAOYSA-N 0 2 400.479 3.920 20 0 HHADLN Cc1c(NS(=O)(=O)c2cnn(C(C)C)c2)cccc1-c1nnc2n1CCCCC2 ZINC000504541594 1000258902 /nfs/dbraw/zinc/25/89/02/1000258902.db2.gz IUJRVLNSIBLRPM-UHFFFAOYSA-N 0 2 414.535 3.558 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 ZINC000494245014 1000384545 /nfs/dbraw/zinc/38/45/45/1000384545.db2.gz NLCKMEATSPPVKK-RBUKOAKNSA-N 0 2 416.510 3.874 20 0 HHADLN CCCn1nccc1C1CCN(C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)CC1 ZINC000505168468 1000591898 /nfs/dbraw/zinc/59/18/98/1000591898.db2.gz WPNYXAOYHWPAHM-UHFFFAOYSA-N 0 2 413.909 3.858 20 0 HHADLN CC(=O)N1CCC[C@@H](C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)C1 ZINC000505176548 1000597572 /nfs/dbraw/zinc/59/75/72/1000597572.db2.gz LIWJRWNRSGRIEH-QGZVFWFLSA-N 0 2 422.510 3.616 20 0 HHADLN CCOC[C@@H]1CCCN(C(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)C1 ZINC000505198034 1000612721 /nfs/dbraw/zinc/61/27/21/1000612721.db2.gz NABDFOBHRMBUOD-MRXNPFEDSA-N 0 2 422.572 3.746 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cccc2c1OCCO2 ZINC000505330550 1000706208 /nfs/dbraw/zinc/70/62/08/1000706208.db2.gz SQVMGWQONQISJK-UHFFFAOYSA-N 0 2 423.796 3.853 20 0 HHADLN CCNC(=O)CCCC(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000505752698 1001007235 /nfs/dbraw/zinc/00/72/35/1001007235.db2.gz IPPIICHDGURVOY-UHFFFAOYSA-N 0 2 410.499 3.664 20 0 HHADLN COc1ccccc1-c1n[nH]c(NC(=O)c2csc(Cc3cccc(F)c3)n2)n1 ZINC000505782157 1001020828 /nfs/dbraw/zinc/02/08/28/1001020828.db2.gz MODQBWHDRGRZAW-UHFFFAOYSA-N 0 2 409.446 3.919 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1c[nH]c2cccc(Br)c21 ZINC000496896683 1001243778 /nfs/dbraw/zinc/24/37/78/1001243778.db2.gz BMHSLFXIAXEATA-UHFFFAOYSA-N 0 2 400.261 3.518 20 0 HHADLN COc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccc3F)n[nH]2)c(Cl)c1 ZINC000506186565 1001266922 /nfs/dbraw/zinc/26/69/22/1001266922.db2.gz AYNLMGALTMOLPZ-UHFFFAOYSA-N 0 2 402.813 3.874 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN4CCOC[C@H]4CC(C)C)nc(=O)c3s2)cc1 ZINC000506254657 1001309543 /nfs/dbraw/zinc/30/95/43/1001309543.db2.gz NXKVMALHMGOURQ-MRXNPFEDSA-N 0 2 413.543 3.907 20 0 HHADLN Cc1cc(F)cc([C@]2(F)CCN(C(=O)C3=NN(c4ccc(F)cc4)CC3=O)C2)c1 ZINC000506375152 1001385505 /nfs/dbraw/zinc/38/55/05/1001385505.db2.gz LSGKMGRRIWEDJZ-NRFANRHFSA-N 0 2 401.388 3.875 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(NC(C)=O)cc1 ZINC000506546165 1001456448 /nfs/dbraw/zinc/45/64/48/1001456448.db2.gz LEPYVNQNPRRYCT-UHFFFAOYSA-N 0 2 417.270 3.539 20 0 HHADLN CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c1OC ZINC000506591965 1001465999 /nfs/dbraw/zinc/46/59/99/1001465999.db2.gz DVIVMIPUTPNOTR-UHFFFAOYSA-N 0 2 423.705 3.816 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)c1 ZINC000506686938 1001494041 /nfs/dbraw/zinc/49/40/41/1001494041.db2.gz BIRBPYKNABXHML-UHFFFAOYSA-N 0 2 416.455 3.691 20 0 HHADLN O=c1[nH]cnc2c1cnn2-c1ccccc1NS(=O)(=O)c1csc2ccccc21 ZINC000506691075 1001495488 /nfs/dbraw/zinc/49/54/88/1001495488.db2.gz WVOUWBRCOFVQSX-UHFFFAOYSA-N 0 2 423.479 3.537 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc2nccnc2c1 ZINC000506711850 1001501933 /nfs/dbraw/zinc/50/19/33/1001501933.db2.gz VNKXHSVSVSWIQD-UHFFFAOYSA-N 0 2 412.254 3.524 20 0 HHADLN C[C@H](CC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccc(F)cc1 ZINC000497788084 1001514306 /nfs/dbraw/zinc/51/43/06/1001514306.db2.gz KSRUPEGPIZNYLB-GFCCVEGCSA-N 0 2 420.491 3.610 20 0 HHADLN Cc1ccc2oc(C(=O)Nc3ccc(S(=O)(=O)Nc4nncs4)cc3)cc2c1 ZINC000497790484 1001514592 /nfs/dbraw/zinc/51/45/92/1001514592.db2.gz NLXODWKRZQXLQX-UHFFFAOYSA-N 0 2 414.468 3.646 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2cnccc2Oc2ccccc2)c1 ZINC000506822812 1001549928 /nfs/dbraw/zinc/54/99/28/1001549928.db2.gz UNINNVOCVDTDIZ-UHFFFAOYSA-N 0 2 412.467 3.780 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cc(Br)ccc2F)s1)c1ccoc1 ZINC000506822816 1001549950 /nfs/dbraw/zinc/54/99/50/1001549950.db2.gz UOVDGFSLZHTBFC-UHFFFAOYSA-N 0 2 404.242 3.501 20 0 HHADLN CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1OC ZINC000506822671 1001550016 /nfs/dbraw/zinc/55/00/16/1001550016.db2.gz PYJODVCPRSTTPT-UHFFFAOYSA-N 0 2 422.812 3.528 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)c1 ZINC000506836538 1001557765 /nfs/dbraw/zinc/55/77/65/1001557765.db2.gz VFRIFESJPFUAOU-UHFFFAOYSA-N 0 2 411.549 3.617 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc3c(cc(C)cc3C)s2)c1 ZINC000506848454 1001563403 /nfs/dbraw/zinc/56/34/03/1001563403.db2.gz IUAMWVPGZKKQHK-UHFFFAOYSA-N 0 2 420.512 3.899 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1nc[nH]n1)c1ccc(C(F)(F)F)cc1Cl ZINC000498022849 1001609551 /nfs/dbraw/zinc/60/95/51/1001609551.db2.gz QHBWRBXZQLOJTP-UHFFFAOYSA-N 0 2 402.785 3.945 20 0 HHADLN COCCOc1cc(C)ccc1NS(=O)(=O)c1cc(C)ccc1Br ZINC000498033888 1001615492 /nfs/dbraw/zinc/61/54/92/1001615492.db2.gz WPXNXMLRMJUEEJ-UHFFFAOYSA-N 0 2 414.321 3.892 20 0 HHADLN Cc1oncc1NS(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000507020946 1001767970 /nfs/dbraw/zinc/76/79/70/1001767970.db2.gz LAHVORZLHNDALY-UHFFFAOYSA-N 0 2 410.087 3.617 20 0 HHADLN O=C(c1ccc(NS(=O)(=O)c2cncc(Cl)c2)cc1Cl)N1CCCCC1 ZINC000507023467 1001769075 /nfs/dbraw/zinc/76/90/75/1001769075.db2.gz UYUGZRDAJGXVBM-UHFFFAOYSA-N 0 2 414.314 3.815 20 0 HHADLN Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(OCCCO)cc3)s2)cs1 ZINC000507583130 1002187888 /nfs/dbraw/zinc/18/78/88/1002187888.db2.gz LJSOPKPCBWWZMN-UHFFFAOYSA-N 0 2 410.542 3.742 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2ccc(C)s2)c(C)cc1Br ZINC000507635266 1002236898 /nfs/dbraw/zinc/23/68/98/1002236898.db2.gz JALGULUCCNSOPN-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2cccc(CC(=O)OCC)c2)c1C(C)C ZINC000507907163 1002442324 /nfs/dbraw/zinc/44/23/24/1002442324.db2.gz FEYFFAXOXAXWOP-UHFFFAOYSA-N 0 2 407.536 3.713 20 0 HHADLN O=S(=O)(Nc1ccc(Br)cc1-c1nc(C2CC2)no1)c1ccoc1 ZINC000507920143 1002454354 /nfs/dbraw/zinc/45/43/54/1002454354.db2.gz MIJFMOUMFFNTJX-UHFFFAOYSA-N 0 2 410.249 3.770 20 0 HHADLN Cc1ccc(F)c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1F ZINC000499135522 1002520610 /nfs/dbraw/zinc/52/06/10/1002520610.db2.gz SBWPGOKKBDSMNY-UHFFFAOYSA-N 0 2 409.439 3.783 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc(OCc2cscn2)c1 ZINC000508014134 1002538466 /nfs/dbraw/zinc/53/84/66/1002538466.db2.gz AFJJPVYVXIOBDS-UHFFFAOYSA-N 0 2 422.484 3.519 20 0 HHADLN NC(=O)c1cccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3F)cn2)c1 ZINC000508020521 1002545219 /nfs/dbraw/zinc/54/52/19/1002545219.db2.gz CKIHSDVQPDNAJU-UHFFFAOYSA-N 0 2 421.837 3.566 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc4oc(C5CC5)nc4c3)cnc2c1Cl ZINC000499173869 1002561810 /nfs/dbraw/zinc/56/18/10/1002561810.db2.gz JFBMEGZNSFGZTO-UHFFFAOYSA-N 0 2 403.851 3.511 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cccc(OC4CCCC4)c3)cnc2c1Cl ZINC000499181290 1002570623 /nfs/dbraw/zinc/57/06/23/1002570623.db2.gz VBJVJOCKRKDMPL-UHFFFAOYSA-N 0 2 406.895 3.813 20 0 HHADLN C[C@H]1Cc2cc(S(=O)(=O)Nc3csc(-c4ccccn4)n3)cc(Cl)c2O1 ZINC000508066753 1002587595 /nfs/dbraw/zinc/58/75/95/1002587595.db2.gz FEZNGGZXFLFLJC-JTQLQIEISA-N 0 2 407.904 3.983 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3coc4ccccc34)cc2)nc(C)n1 ZINC000499205136 1002590232 /nfs/dbraw/zinc/59/02/32/1002590232.db2.gz WUMSJLWLUGONNC-UHFFFAOYSA-N 0 2 422.466 3.893 20 0 HHADLN O=S(=O)([N-]c1ccc(Cn2cc[nH+]c2)cn1)c1c(Cl)cc(F)cc1Cl ZINC000508092960 1002616128 /nfs/dbraw/zinc/61/61/28/1002616128.db2.gz FRWTUOYALQADDQ-UHFFFAOYSA-N 0 2 401.250 3.573 20 0 HHADLN COCCc1ccnc(NS(=O)(=O)c2ccc3cc(Br)ccc3c2)c1 ZINC000508097873 1002622815 /nfs/dbraw/zinc/62/28/15/1002622815.db2.gz VGXRHRBTCSGQCQ-UHFFFAOYSA-N 0 2 421.316 3.987 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)cc1Br ZINC000508104223 1002629604 /nfs/dbraw/zinc/62/96/04/1002629604.db2.gz RYHLDXMZJZBPHM-UHFFFAOYSA-N 0 2 417.350 3.909 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)c(F)c1Cl ZINC000508112854 1002641055 /nfs/dbraw/zinc/64/10/55/1002641055.db2.gz OFFDVGFLRSUKDI-UHFFFAOYSA-N 0 2 418.893 3.824 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)o2)c(C)s1 ZINC000508144522 1002679415 /nfs/dbraw/zinc/67/94/15/1002679415.db2.gz RHPURHRICASSDZ-UHFFFAOYSA-N 0 2 414.306 3.978 20 0 HHADLN Cc1cnn(C)c1S(=O)(=O)Nc1nc(C)c(Cc2ccc(Cl)cc2F)s1 ZINC000508189819 1002725197 /nfs/dbraw/zinc/72/51/97/1002725197.db2.gz HHYHGVZPMLCGIL-UHFFFAOYSA-N 0 2 414.915 3.678 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(CC(F)(F)F)cc1 ZINC000508192310 1002727639 /nfs/dbraw/zinc/72/76/39/1002727639.db2.gz DXSYWAMFBUGADF-UHFFFAOYSA-N 0 2 401.341 3.781 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc(-c2csc(C)n2)c1 ZINC000508322834 1002827939 /nfs/dbraw/zinc/82/79/39/1002827939.db2.gz CKXWEGNPSLMLSH-UHFFFAOYSA-N 0 2 406.485 3.916 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1OC(C)C ZINC000499495011 1002883771 /nfs/dbraw/zinc/88/37/71/1002883771.db2.gz VZVQZLXDRMPOEK-UHFFFAOYSA-N 0 2 419.499 3.900 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NCc3ccc(-c4csc(C)n4)o3)=N2)cc1 ZINC000499610291 1002981747 /nfs/dbraw/zinc/98/17/47/1002981747.db2.gz KQSXMQNMLIVEPU-UHFFFAOYSA-N 0 2 410.455 3.541 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000499636764 1003002456 /nfs/dbraw/zinc/00/24/56/1003002456.db2.gz PBKCMWYINMIERK-UHFFFAOYSA-N 0 2 417.387 3.679 20 0 HHADLN Cc1ccc(SCc2nnc(N(C)Cc3nc(=O)c4sccc4[nH]3)n2C)cc1 ZINC000508557098 1003028898 /nfs/dbraw/zinc/02/88/98/1003028898.db2.gz LVPKPKRYWMPPEG-UHFFFAOYSA-N 0 2 412.544 3.763 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000508621769 1003073861 /nfs/dbraw/zinc/07/38/61/1003073861.db2.gz QBKJAWABSLNFCV-NXOUGTEYSA-N 0 2 424.881 3.643 20 0 HHADLN O=C(NCc1ccc(Oc2cccnc2)c(F)c1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499737566 1003082706 /nfs/dbraw/zinc/08/27/06/1003082706.db2.gz BJLQOIWBWDXLSN-UHFFFAOYSA-N 0 2 422.391 3.973 20 0 HHADLN C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1ccc(-n2cccn2)c(F)c1 ZINC000508768651 1003199992 /nfs/dbraw/zinc/19/99/92/1003199992.db2.gz GHJKEVZPOWZMPY-ZDUSSCGKSA-N 0 2 409.396 3.533 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](C)c3nc(C(C)(C)C)cs3)=N2)cc1 ZINC000499865534 1003202251 /nfs/dbraw/zinc/20/22/51/1003202251.db2.gz VWULTQLWQGHTDK-GFCCVEGCSA-N 0 2 400.504 3.832 20 0 HHADLN C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1nc(-c2ccncc2)cs1 ZINC000499980252 1003296181 /nfs/dbraw/zinc/29/61/81/1003296181.db2.gz FKPHVXQBESLUNV-GFCCVEGCSA-N 0 2 409.446 3.727 20 0 HHADLN CC1CCC(OC2CCN(C(=O)C3=NN(c4ccc(F)cc4)CC3=O)CC2)CC1 ZINC000500000043 1003319198 /nfs/dbraw/zinc/31/91/98/1003319198.db2.gz DOQNZVULYNSUAJ-UHFFFAOYSA-N 0 2 401.482 3.917 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CC[C@@H](OCCCc2ccccc2)C1 ZINC000500164813 1003518420 /nfs/dbraw/zinc/51/84/20/1003518420.db2.gz RECKBDLLBAQSBA-HXUWFJFHSA-N 0 2 409.461 3.581 20 0 HHADLN O=S(=O)(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1cccc2c1OCO2 ZINC000509088645 1003544252 /nfs/dbraw/zinc/54/42/52/1003544252.db2.gz DNRKYMDQKUEGNZ-UHFFFAOYSA-N 0 2 408.435 3.948 20 0 HHADLN O=S(=O)(C[C@@H]1CCCC(F)(F)C1)c1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000509141203 1003581533 /nfs/dbraw/zinc/58/15/33/1003581533.db2.gz ULYMEZHBIPALEF-LLVKDONJSA-N 0 2 405.854 3.636 20 0 HHADLN COc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)s3)c2)cn1 ZINC000500307651 1003613505 /nfs/dbraw/zinc/61/35/05/1003613505.db2.gz UTGRROJINMALQQ-UHFFFAOYSA-N 0 2 403.485 3.513 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC[C@H]3CC(=O)c3ccc(F)cc3)=N2)cc1 ZINC000500324646 1003625405 /nfs/dbraw/zinc/62/54/05/1003625405.db2.gz FXBMQLSCJRUYBS-SFHVURJKSA-N 0 2 423.444 3.603 20 0 HHADLN C[C@H]1CCCN(Cc2csc(NS(=O)(=O)c3cnc4ccccc4c3)n2)C1 ZINC000509219373 1003632488 /nfs/dbraw/zinc/63/24/88/1003632488.db2.gz SJDVWQAOWOWTMK-AWEZNQCLSA-N 0 2 402.545 3.724 20 0 HHADLN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1nnc(Cc2ccsc2)o1 ZINC000509241063 1003647588 /nfs/dbraw/zinc/64/75/88/1003647588.db2.gz PMPVCJDIYZOVCF-UHFFFAOYSA-N 0 2 403.407 3.850 20 0 HHADLN COc1cncc(S(=O)(=O)Nc2ccc(Br)cc2C(F)(F)F)c1 ZINC000500474196 1003736489 /nfs/dbraw/zinc/73/64/89/1003736489.db2.gz ZOZCGPFVUJNKBS-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN Cc1ncc(NS(=O)(=O)c2ccc(Br)cc2Cl)c(C2CC2)n1 ZINC000500568000 1003787975 /nfs/dbraw/zinc/78/79/75/1003787975.db2.gz STSFQRRFYKLCGZ-UHFFFAOYSA-N 0 2 402.701 3.879 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1cc(Cc2ccccn2)ccc1C ZINC000509380974 1003809894 /nfs/dbraw/zinc/80/98/94/1003809894.db2.gz YWCYUQFDHBSIIV-UHFFFAOYSA-N 0 2 402.497 3.630 20 0 HHADLN COC(=O)c1c(F)cc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1F ZINC000509390548 1003819970 /nfs/dbraw/zinc/81/99/70/1003819970.db2.gz IPHMAHVPTKJJHG-UHFFFAOYSA-N 0 2 414.188 3.998 20 0 HHADLN Cc1ccc(Cc2ccccn2)cc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000509391463 1003820938 /nfs/dbraw/zinc/82/09/38/1003820938.db2.gz ZENICFRIFLLMLH-UHFFFAOYSA-N 0 2 410.421 3.540 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(-c2cncc(F)c2)ccc1C ZINC000509393490 1003823968 /nfs/dbraw/zinc/82/39/68/1003823968.db2.gz ZYYICZUIIDJSQR-UHFFFAOYSA-N 0 2 418.446 3.993 20 0 HHADLN COCCN(C(=O)c1c[nH]c2c(cnn2C)c1=O)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000511898056 1003875637 /nfs/dbraw/zinc/87/56/37/1003875637.db2.gz WGBMXUWHNZDWMB-LBPRGKRZSA-N 0 2 422.407 3.543 20 0 HHADLN CCCCC1CCC(NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)CC1 ZINC000511914228 1003888609 /nfs/dbraw/zinc/88/86/09/1003888609.db2.gz KPKXTDBSTJTBDM-UHFFFAOYSA-N 0 2 424.592 3.761 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000509535231 1003929958 /nfs/dbraw/zinc/92/99/58/1003929958.db2.gz CVMBJVFHVJFIGP-UHFFFAOYSA-N 0 2 419.846 3.510 20 0 HHADLN Cc1ccc(Br)cc1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000509559596 1003945571 /nfs/dbraw/zinc/94/55/71/1003945571.db2.gz QTMNOLLFHOWJGB-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000509577917 1003956420 /nfs/dbraw/zinc/95/64/20/1003956420.db2.gz PGYOTUMUVVTAAT-UHFFFAOYSA-N 0 2 407.879 3.858 20 0 HHADLN CSc1cc2c(cc1NS(=O)(=O)c1cccc3cc(C)cnc31)OCCO2 ZINC000509595787 1003968899 /nfs/dbraw/zinc/96/88/99/1003968899.db2.gz KAXRJMHFALSXBC-UHFFFAOYSA-N 0 2 402.497 3.837 20 0 HHADLN CCN(C(=O)c1c[nH]c2c(cnn2C)c1=O)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000512035741 1003971336 /nfs/dbraw/zinc/97/13/36/1003971336.db2.gz XFPMBYJMTDLFEU-HXUWFJFHSA-N 0 2 419.460 3.768 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000509612798 1003981036 /nfs/dbraw/zinc/98/10/36/1003981036.db2.gz FDABJYKPYAJSAR-UHFFFAOYSA-N 0 2 413.451 3.715 20 0 HHADLN O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1cnn(Cc2ccccc2)c1 ZINC000509635870 1003995062 /nfs/dbraw/zinc/99/50/62/1003995062.db2.gz PBIWLXLOJKEKDB-UHFFFAOYSA-N 0 2 413.833 3.987 20 0 HHADLN Cc1cc(I)ccc1NS(=O)(=O)c1cccc(F)c1F ZINC000509638481 1003997421 /nfs/dbraw/zinc/99/74/21/1003997421.db2.gz SSQGKVWXYBYGQT-UHFFFAOYSA-N 0 2 409.195 3.679 20 0 HHADLN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2nc3ccccc3s2)c1 ZINC000500872361 1004019199 /nfs/dbraw/zinc/01/91/99/1004019199.db2.gz ZGJPZMPISXRSKE-UHFFFAOYSA-N 0 2 412.334 3.926 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N(Cc2ccccc2)CC2(CO)CC2)=N1 ZINC000512134801 1004047290 /nfs/dbraw/zinc/04/72/90/1004047290.db2.gz YJBRKECJRBJJAZ-UHFFFAOYSA-N 0 2 405.498 3.555 20 0 HHADLN Cc1ccc(I)c(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000500943806 1004067596 /nfs/dbraw/zinc/06/75/96/1004067596.db2.gz JQZZRWKTJNPDRY-UHFFFAOYSA-N 0 2 422.201 3.776 20 0 HHADLN C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000512175836 1004077876 /nfs/dbraw/zinc/07/78/76/1004077876.db2.gz RJUSYCJKECRFAU-OPAMFIHVSA-N 0 2 412.493 3.893 20 0 HHADLN COc1cc(F)c([C@H](C)NC(=O)N=c2nc(-c3ccccc3)[nH]s2)cc1OC ZINC000512231329 1004131541 /nfs/dbraw/zinc/13/15/41/1004131541.db2.gz WKARPCDRUWMCMK-NSHDSACASA-N 0 2 402.451 3.666 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccccc2Cl)ns1)c1cccc2cccnc21 ZINC000512341098 1004229211 /nfs/dbraw/zinc/22/92/11/1004229211.db2.gz DTARZFZWRBVMEZ-UHFFFAOYSA-N 0 2 402.888 3.629 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccccc2Cl)ns1)c1ccc(F)cc1Cl ZINC000512353341 1004240686 /nfs/dbraw/zinc/24/06/86/1004240686.db2.gz PTXZZIQQXUVUBC-UHFFFAOYSA-N 0 2 404.275 3.874 20 0 HHADLN C[C@H]1CCc2nc(NS(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4C)sc2C1 ZINC000512364025 1004248963 /nfs/dbraw/zinc/24/89/63/1004248963.db2.gz YMGWVODJWQTSAC-NSHDSACASA-N 0 2 413.524 3.812 20 0 HHADLN CC(C)CC(=O)Nc1cccc(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000510100756 1004324435 /nfs/dbraw/zinc/32/44/35/1004324435.db2.gz SYXZIGDOJILAJP-UHFFFAOYSA-N 0 2 418.412 3.706 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cn(-c3ccccc3)nc2C)cc1OCC ZINC000510131956 1004346636 /nfs/dbraw/zinc/34/66/36/1004346636.db2.gz GLZDEAKBYWDOPR-UHFFFAOYSA-N 0 2 401.488 3.779 20 0 HHADLN CCN(C(=O)CSc1nc(=O)cc(O)n1C1CCCC1)[C@@H](C)c1ccc(F)cc1 ZINC000510173119 1004374510 /nfs/dbraw/zinc/37/45/10/1004374510.db2.gz QWSMAXCMYDFWKA-AWEZNQCLSA-N 0 2 419.522 3.905 20 0 HHADLN O=S(=O)(Nc1nccs1)c1cccc(NCc2ccc(-c3cc[nH]n3)o2)c1 ZINC000512612896 1004426478 /nfs/dbraw/zinc/42/64/78/1004426478.db2.gz IMAPBVXMZVFDMT-UHFFFAOYSA-N 0 2 401.473 3.539 20 0 HHADLN Cc1nc(CSc2ccc(C(=O)N3CCC[C@H](c4n[nH]c(=O)[nH]4)C3)cc2)cs1 ZINC000510271111 1004439517 /nfs/dbraw/zinc/43/95/17/1004439517.db2.gz OVWOQKXJEQRLTE-AWEZNQCLSA-N 0 2 415.544 3.587 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cnn1CCC(C)C ZINC000512757613 1004540954 /nfs/dbraw/zinc/54/09/54/1004540954.db2.gz NURAXVZOWTUODV-UHFFFAOYSA-N 0 2 412.515 3.782 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)c1 ZINC000512952454 1004722873 /nfs/dbraw/zinc/72/28/73/1004722873.db2.gz HOIXRZXVHVWKMP-UHFFFAOYSA-N 0 2 412.486 3.907 20 0 HHADLN Cc1[nH]c(=O)c(Br)cc1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000513011904 1004758637 /nfs/dbraw/zinc/75/86/37/1004758637.db2.gz JWJIEIUFQGQALW-UHFFFAOYSA-N 0 2 408.643 3.549 20 0 HHADLN O=C(CNC(=O)NCc1ccc(Cl)cc1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000501988207 1004848300 /nfs/dbraw/zinc/84/83/00/1004848300.db2.gz YBPKWPASXGHFQT-UHFFFAOYSA-N 0 2 402.665 3.790 20 0 HHADLN COc1cccc(NCc2nnc(SCc3n[nH]c(=O)[nH]3)n2C2CCCCC2)c1 ZINC000513252690 1004880668 /nfs/dbraw/zinc/88/06/68/1004880668.db2.gz NFCINZVAIDTYHZ-UHFFFAOYSA-N 0 2 415.523 3.520 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN4CCOC[C@H]4CC(F)F)nc(=O)c3s2)cc1 ZINC000513412033 1004952483 /nfs/dbraw/zinc/95/24/83/1004952483.db2.gz SQZKRWKTLGENNA-CYBMUJFWSA-N 0 2 421.469 3.516 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)NCc1ccncc1OCc1ccccc1 ZINC000513606170 1005046227 /nfs/dbraw/zinc/04/62/27/1005046227.db2.gz JSDBTKWLCMSYTR-UHFFFAOYSA-N 0 2 417.494 3.923 20 0 HHADLN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)S(=O)(=O)Cc2ccc(C(C)(C)C)cc2)c1C ZINC000513611151 1005048499 /nfs/dbraw/zinc/04/84/99/1005048499.db2.gz FGBYOFIDXXEJKF-OAHLLOKOSA-N 0 2 419.543 3.902 20 0 HHADLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000502403632 1005059725 /nfs/dbraw/zinc/05/97/25/1005059725.db2.gz JIJDNKOWTDALLB-UHFFFAOYSA-N 0 2 400.632 3.872 20 0 HHADLN CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(SCc3ccccc3)cn2)cc1 ZINC000513788974 1005128086 /nfs/dbraw/zinc/12/80/86/1005128086.db2.gz AOPYUQXQGPYEIS-UHFFFAOYSA-N 0 2 413.524 3.534 20 0 HHADLN CCCCOc1ccc(OC)cc1NS(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC000513812976 1005139129 /nfs/dbraw/zinc/13/91/29/1005139129.db2.gz VIXJFGJEHZOTEH-UHFFFAOYSA-N 0 2 407.488 3.770 20 0 HHADLN COc1cccc(C(F)(F)CNS(=O)(=O)Cc2ccc(Cl)cc2Cl)n1 ZINC000511378707 1005147411 /nfs/dbraw/zinc/14/74/11/1005147411.db2.gz OJWYCUGJUSFDMT-UHFFFAOYSA-N 0 2 411.257 3.608 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N(C)C2CCCCC2)c1 ZINC000502766849 1005207982 /nfs/dbraw/zinc/20/79/82/1005207982.db2.gz VECQYAZQHQVVSI-UHFFFAOYSA-N 0 2 418.515 3.606 20 0 HHADLN Cc1noc(C)c1[C@H](C)CC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000514008659 1005225941 /nfs/dbraw/zinc/22/59/41/1005225941.db2.gz OPJJZAPBKLFTEA-LLVKDONJSA-N 0 2 420.516 3.681 20 0 HHADLN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000511768635 1005316315 /nfs/dbraw/zinc/31/63/15/1005316315.db2.gz FOFWQVFCRUOMRA-DNVCBOLYSA-N 0 2 420.538 3.565 20 0 HHADLN O=S(=O)(c1cc(F)cc(Cl)c1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000503209996 1005369118 /nfs/dbraw/zinc/36/91/18/1005369118.db2.gz WZPLKCBKOVDTHO-INIZCTEOSA-N 0 2 406.870 3.790 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1F ZINC000503243114 1005375605 /nfs/dbraw/zinc/37/56/05/1005375605.db2.gz OJVPSWQXDHMVBI-INIZCTEOSA-N 0 2 404.442 3.584 20 0 HHADLN Cc1cc(F)ccc1-n1cc(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)nn1 ZINC000503318829 1005389539 /nfs/dbraw/zinc/38/95/39/1005389539.db2.gz RQYGZKGZGRWKCH-UHFFFAOYSA-N 0 2 414.853 3.561 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1c(-c2cccnc2)nc2ccccn21 ZINC000531279614 1006089939 /nfs/dbraw/zinc/08/99/39/1006089939.db2.gz XWXNJPBXKHZCBB-UHFFFAOYSA-N 0 2 410.503 3.591 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1c(-c2cccnc2)[nH+]c2ccccn21 ZINC000531279614 1006089953 /nfs/dbraw/zinc/08/99/53/1006089953.db2.gz XWXNJPBXKHZCBB-UHFFFAOYSA-N 0 2 410.503 3.591 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3cc(C)c(OC)c(C)c3)s2)cc1 ZINC000534205024 1006197721 /nfs/dbraw/zinc/19/77/21/1006197721.db2.gz NVGWBIALAOJMPQ-UHFFFAOYSA-N 0 2 405.501 3.640 20 0 HHADLN O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000531460794 1006211832 /nfs/dbraw/zinc/21/18/32/1006211832.db2.gz JMDUIDVAXHEWGI-UHFFFAOYSA-N 0 2 415.494 3.802 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N(C)CC(=O)Nc3cccc(F)c3)=N2)c1 ZINC000531466466 1006215111 /nfs/dbraw/zinc/21/51/11/1006215111.db2.gz WCYASXVIJBIZHH-UHFFFAOYSA-N 0 2 410.449 3.551 20 0 HHADLN Cc1ccc2cccc(S(=O)(=O)Nc3cc(Cl)ccc3N3CCOCC3)c2n1 ZINC000531486622 1006225294 /nfs/dbraw/zinc/22/52/94/1006225294.db2.gz YOJZVXZVPQEYGI-UHFFFAOYSA-N 0 2 417.918 3.834 20 0 HHADLN CCc1csc(-n2cc(C(=O)N=c3nc(-c4cccc(Cl)c4)[nH]s3)cn2)n1 ZINC000534234988 1006237229 /nfs/dbraw/zinc/23/72/29/1006237229.db2.gz KSYSBIRNSHYCPR-UHFFFAOYSA-N 0 2 416.919 3.737 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1C1CC1 ZINC000534236706 1006240890 /nfs/dbraw/zinc/24/08/90/1006240890.db2.gz AIETWOVTJBUBKL-ZDUSSCGKSA-N 0 2 402.520 3.807 20 0 HHADLN Cc1c(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)sc2nccn12 ZINC000534268404 1006275022 /nfs/dbraw/zinc/27/50/22/1006275022.db2.gz JZLIPAZOGOKMHJ-UHFFFAOYSA-N 0 2 403.265 3.504 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@H](CC(=O)OC(C)(C)C)C2)=N1 ZINC000531617220 1006308784 /nfs/dbraw/zinc/30/87/84/1006308784.db2.gz QNVLMNOYNCIVSS-OAHLLOKOSA-N 0 2 417.481 3.609 20 0 HHADLN CCCCn1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)n1 ZINC000515344436 1006412240 /nfs/dbraw/zinc/41/22/40/1006412240.db2.gz ILELMFSWPSXZSM-UHFFFAOYSA-N 0 2 419.532 3.501 20 0 HHADLN COc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1Cl ZINC000515354164 1006414935 /nfs/dbraw/zinc/41/49/35/1006414935.db2.gz QZCVBHAZCRLMSH-UHFFFAOYSA-N 0 2 423.903 3.858 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ccc(NC(=O)c2cccs2)cc1 ZINC000534441415 1006419570 /nfs/dbraw/zinc/41/95/70/1006419570.db2.gz RILICNXSLFKQDF-UHFFFAOYSA-N 0 2 407.480 3.588 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)o2)cc1OC ZINC000515364807 1006421163 /nfs/dbraw/zinc/42/11/63/1006421163.db2.gz AHOWIFSOJXKQQW-UHFFFAOYSA-N 0 2 417.487 3.852 20 0 HHADLN C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000534442745 1006422798 /nfs/dbraw/zinc/42/27/98/1006422798.db2.gz YSVRKCPUDDEWRW-CQSZACIVSA-N 0 2 417.494 3.819 20 0 HHADLN O=C(NCC12CCC(CC1)C2)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000534570250 1006560047 /nfs/dbraw/zinc/56/00/47/1006560047.db2.gz RARMXMUSSNDSLQ-UHFFFAOYSA-N 0 2 406.533 3.646 20 0 HHADLN Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)c1C ZINC000534616364 1006596854 /nfs/dbraw/zinc/59/68/54/1006596854.db2.gz RLOATJDVBPQYMF-UHFFFAOYSA-N 0 2 407.499 3.850 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc2[nH]ccc21 ZINC000515698467 1006597519 /nfs/dbraw/zinc/59/75/19/1006597519.db2.gz GPDLNSYPDHZMCB-UHFFFAOYSA-N 0 2 416.352 3.913 20 0 HHADLN C[C@@H](Oc1ccc(F)cc1Br)C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000515705929 1006603007 /nfs/dbraw/zinc/60/30/07/1006603007.db2.gz UOUJIEOVGHRUQD-SNVBAGLBSA-N 0 2 422.279 3.935 20 0 HHADLN O=C(Nc1cc(Cl)ccc1O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000532158888 1006683317 /nfs/dbraw/zinc/68/33/17/1006683317.db2.gz AIHNVFFQXKBZMC-UHFFFAOYSA-N 0 2 409.876 3.555 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)c(C)o1 ZINC000538450566 1006719426 /nfs/dbraw/zinc/71/94/26/1006719426.db2.gz LNUQEIYELQRIHH-UHFFFAOYSA-N 0 2 414.439 3.678 20 0 HHADLN COC(=O)C1(c2ccc(S(=O)(=O)Nc3cc(C4CCCCCC4)n[nH]3)cc2)CC1 ZINC000538451708 1006721042 /nfs/dbraw/zinc/72/10/42/1006721042.db2.gz PUOZACUAFJGGFH-UHFFFAOYSA-N 0 2 417.531 3.853 20 0 HHADLN O=S(=O)(c1cccc2cccnc21)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000534743734 1006734826 /nfs/dbraw/zinc/73/48/26/1006734826.db2.gz TYOPDWFHJIFBSN-QGZVFWFLSA-N 0 2 405.483 3.546 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2O)c1 ZINC000532266577 1006758067 /nfs/dbraw/zinc/75/80/67/1006758067.db2.gz MWNPGUBREOCGHB-UHFFFAOYSA-N 0 2 416.430 3.593 20 0 HHADLN O=S(=O)(Nc1ccc2nc(-c3ccccn3)oc2c1)c1cnn(-c2ccccc2)c1 ZINC000538496685 1006764163 /nfs/dbraw/zinc/76/41/63/1006764163.db2.gz YUHHABSQURLNTJ-UHFFFAOYSA-N 0 2 417.450 3.876 20 0 HHADLN CC(C)(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(F)(F)F ZINC000532410954 1006856302 /nfs/dbraw/zinc/85/63/02/1006856302.db2.gz CRQZZAQHJUUOBM-CYBMUJFWSA-N 0 2 421.466 3.651 20 0 HHADLN COc1ccc(C[C@@H](C)CN(C)C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)cc1 ZINC000534938362 1006977257 /nfs/dbraw/zinc/97/72/57/1006977257.db2.gz BKFFFOUBQNCWCB-OAHLLOKOSA-N 0 2 411.477 3.985 20 0 HHADLN COC(=O)c1ccc(CS(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 ZINC000516595218 1007177192 /nfs/dbraw/zinc/17/71/92/1007177192.db2.gz YINJFIWQVCIADI-UHFFFAOYSA-N 0 2 414.508 3.637 20 0 HHADLN CCOc1ccc(Nc2ncccc2C(=O)N=c2nc(-c3cccnc3)[nH]s2)cc1 ZINC000535228843 1007280872 /nfs/dbraw/zinc/28/08/72/1007280872.db2.gz CTVPYXOWNIKRND-UHFFFAOYSA-N 0 2 418.482 3.812 20 0 HHADLN CC(=O)N1CC[C@H](NC(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)c2ccccc21 ZINC000535321213 1007373947 /nfs/dbraw/zinc/37/39/47/1007373947.db2.gz KOMPZKPCYLIWCY-FQEVSTJZSA-N 0 2 418.497 3.929 20 0 HHADLN Cc1cc(C(=O)NC2CCCC2)ccc1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000517173961 1007481026 /nfs/dbraw/zinc/48/10/26/1007481026.db2.gz KPXIKBDKLXLKFY-UHFFFAOYSA-N 0 2 412.433 3.886 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)ncn3-c2ccccc2)c(C)o1 ZINC000533177470 1007518908 /nfs/dbraw/zinc/51/89/08/1007518908.db2.gz OYBXNNVLFFUADM-UHFFFAOYSA-N 0 2 411.439 3.514 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(Cl)c2)s1)c1cncc(Cl)c1 ZINC000533177106 1007519092 /nfs/dbraw/zinc/51/90/92/1007519092.db2.gz STYGAUZGFIAKGD-UHFFFAOYSA-N 0 2 401.300 3.632 20 0 HHADLN Cn1c2ccc([N-]S(=O)(=O)c3cnn(Cc4ccccc4)c3)cc2[nH+]c1C(C)(C)C ZINC000535508697 1007564297 /nfs/dbraw/zinc/56/42/97/1007564297.db2.gz SAWJXAMIZUSMOE-UHFFFAOYSA-N 0 2 423.542 3.916 20 0 HHADLN Cn1c2ccc(NS(=O)(=O)c3cnn(Cc4ccccc4)c3)cc2nc1C(C)(C)C ZINC000535508697 1007564313 /nfs/dbraw/zinc/56/43/13/1007564313.db2.gz SAWJXAMIZUSMOE-UHFFFAOYSA-N 0 2 423.542 3.916 20 0 HHADLN O=C(C[C@H]1C=CCC1)Nc1ccccc1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000517401403 1007626565 /nfs/dbraw/zinc/62/65/65/1007626565.db2.gz JGPLEOPYUQMJFO-HNNXBMFYSA-N 0 2 414.483 3.553 20 0 HHADLN Cc1cn2cc(C(=O)Nc3nc(-c4ccccc4Br)n[nH]3)sc2n1 ZINC000535778780 1007787564 /nfs/dbraw/zinc/78/75/64/1007787564.db2.gz VLMXENFRACALEU-UHFFFAOYSA-N 0 2 403.265 3.504 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000517611722 1007815995 /nfs/dbraw/zinc/81/59/95/1007815995.db2.gz UXPIQECJBSICJZ-UHFFFAOYSA-N 0 2 420.409 3.569 20 0 HHADLN O=S(=O)(Nc1cc(-c2cccs2)[nH]n1)c1ccc(OCC(F)(F)F)cc1 ZINC000517638464 1007848755 /nfs/dbraw/zinc/84/87/55/1007848755.db2.gz VCVBORDIYJOYHK-UHFFFAOYSA-N 0 2 403.407 3.880 20 0 HHADLN O=S(=O)(Nc1cccc(-n2cccn2)c1)c1cc(F)c(Br)cc1F ZINC000535989211 1008028375 /nfs/dbraw/zinc/02/83/75/1008028375.db2.gz QHGWCPPMFFCZPL-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cc(OC)ccc2Cl)nc1C(C)C ZINC000535990097 1008029659 /nfs/dbraw/zinc/02/96/59/1008029659.db2.gz PBEABMNAQQLYKV-UHFFFAOYSA-N 0 2 418.924 3.906 20 0 HHADLN COc1ccccc1N1CC[C@@H]([N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)C1=O ZINC000539766094 1008082131 /nfs/dbraw/zinc/08/21/31/1008082131.db2.gz IYUNXYKIECZONO-AZUAARDMSA-N 0 2 423.561 3.846 20 0 HHADLN CC(=O)N1CCCC[C@H]1C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000533761328 1008087203 /nfs/dbraw/zinc/08/72/03/1008087203.db2.gz NDVUEKSMBJJBTQ-IBGZPJMESA-N 0 2 422.510 3.759 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccccc2OC(F)F)nc1C(C)C ZINC000533784648 1008107171 /nfs/dbraw/zinc/10/71/71/1008107171.db2.gz OSBCQEGVDPIOSH-UHFFFAOYSA-N 0 2 420.459 3.845 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)c(Cl)c1 ZINC000539813715 1008109977 /nfs/dbraw/zinc/10/99/77/1008109977.db2.gz RZTQCJFCLJJTRO-UHFFFAOYSA-N 0 2 416.952 3.526 20 0 HHADLN Cc1oc(C(=O)Nc2cc(Cl)cc(Cl)c2O)cc1S(=O)(=O)N1CCCC1 ZINC000536094189 1008116793 /nfs/dbraw/zinc/11/67/93/1008116793.db2.gz CUGIQRCCJBQJDI-UHFFFAOYSA-N 0 2 419.286 3.637 20 0 HHADLN CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)s1 ZINC000539941789 1008196467 /nfs/dbraw/zinc/19/64/67/1008196467.db2.gz XMHSFQJZBNIMAN-UHFFFAOYSA-N 0 2 406.573 3.742 20 0 HHADLN CNC(=O)c1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)s3)cc2F)ccn1 ZINC000518205167 1008205222 /nfs/dbraw/zinc/20/52/22/1008205222.db2.gz SCFOMKJGOZHEJN-UHFFFAOYSA-N 0 2 421.475 3.543 20 0 HHADLN COc1cc(OC)c(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1OC ZINC000518362590 1008276828 /nfs/dbraw/zinc/27/68/28/1008276828.db2.gz ODNOOGQRVMPJRA-UHFFFAOYSA-N 0 2 405.863 3.559 20 0 HHADLN O=S(=O)(Nc1ccccc1Nc1ccc(F)cc1F)c1cnn(CC(F)F)c1 ZINC000518408934 1008293338 /nfs/dbraw/zinc/29/33/38/1008293338.db2.gz YQDNBCSTUUREFN-UHFFFAOYSA-N 0 2 414.384 3.971 20 0 HHADLN COc1ccccc1-c1cccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)c1 ZINC000518421787 1008298881 /nfs/dbraw/zinc/29/88/81/1008298881.db2.gz UPPLOROHRDZBTD-UHFFFAOYSA-N 0 2 417.508 3.567 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2Cl)c(OC(F)F)c1 ZINC000518422717 1008298924 /nfs/dbraw/zinc/29/89/24/1008298924.db2.gz RZOGOCJQVBGMBC-UHFFFAOYSA-N 0 2 405.806 3.837 20 0 HHADLN CC(=O)N[C@@H](CC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc(C)cc1 ZINC000518900581 1008465740 /nfs/dbraw/zinc/46/57/40/1008465740.db2.gz CAVJHMJMCCOPTH-KRWDZBQOSA-N 0 2 414.918 3.795 20 0 HHADLN CCOC(=O)c1cnn(-c2cccc(NS(=O)(=O)c3ccc(C)cc3F)c2)c1C ZINC000519217546 1008622312 /nfs/dbraw/zinc/62/23/12/1008622312.db2.gz NJHXETBWHHBKIL-UHFFFAOYSA-N 0 2 417.462 3.606 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@H+](CCC(C)C)C3)s1 ZINC000543148533 1008722161 /nfs/dbraw/zinc/72/21/61/1008722161.db2.gz GFDFFUNUJRNFOU-UHFFFAOYSA-N 0 2 408.545 3.697 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@@H+](CCC(C)C)C3)s1 ZINC000543148533 1008722170 /nfs/dbraw/zinc/72/21/70/1008722170.db2.gz GFDFFUNUJRNFOU-UHFFFAOYSA-N 0 2 408.545 3.697 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cccc(COCCOC(C)C)c1 ZINC000543166762 1008742097 /nfs/dbraw/zinc/74/20/97/1008742097.db2.gz SDINSSGDYFTTHO-UHFFFAOYSA-N 0 2 423.579 3.898 20 0 HHADLN CCOC(=O)COc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000543166383 1008742248 /nfs/dbraw/zinc/74/22/48/1008742248.db2.gz RBINWIFASYFQQR-UHFFFAOYSA-N 0 2 404.271 3.736 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ccnc(Sc4ccccn4)c3)cc12 ZINC000545827389 1008912558 /nfs/dbraw/zinc/91/25/58/1008912558.db2.gz FZKALEMGJAXAHV-UHFFFAOYSA-N 0 2 413.484 3.527 20 0 HHADLN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000545827798 1008912624 /nfs/dbraw/zinc/91/26/24/1008912624.db2.gz LRZNGYVPEGJTFV-UHFFFAOYSA-N 0 2 409.769 3.668 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000545857693 1008944807 /nfs/dbraw/zinc/94/48/07/1008944807.db2.gz SOMIARREAXVWIV-UHFFFAOYSA-N 0 2 422.503 3.699 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)=N1 ZINC000546043340 1009067475 /nfs/dbraw/zinc/06/74/75/1009067475.db2.gz ZMZWHGOKHQWJEB-FQEVSTJZSA-N 0 2 405.498 3.614 20 0 HHADLN O=S(=O)(Nc1ccc(OC(F)F)nc1)c1cc(Br)ccc1Cl ZINC000549553618 1009171377 /nfs/dbraw/zinc/17/13/77/1009171377.db2.gz AYZYSWMECVWIJL-UHFFFAOYSA-N 0 2 413.627 3.900 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H]3CCCOc4ccc(F)cc43)s[nH]2)c1 ZINC000543616966 1009222690 /nfs/dbraw/zinc/22/26/90/1009222690.db2.gz QJAMYQUOXLNMRH-MRXNPFEDSA-N 0 2 414.462 3.810 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCO[C@@H](CCc4ccccc4)C3)s[nH]2)c1 ZINC000543617240 1009222745 /nfs/dbraw/zinc/22/27/45/1009222745.db2.gz UJNBVPPIMHMJSB-IBGZPJMESA-N 0 2 424.526 3.501 20 0 HHADLN CC[C@H]1C[C@H](C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)CC(=O)N1 ZINC000543646536 1009252108 /nfs/dbraw/zinc/25/21/08/1009252108.db2.gz OZGBIPYWCLAIPU-HOTGVXAUSA-N 0 2 422.510 3.663 20 0 HHADLN O=C(CCc1ccc2c(c1)OCCO2)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000520100004 1009257961 /nfs/dbraw/zinc/25/79/61/1009257961.db2.gz OPUAYCPEUPJLCU-UHFFFAOYSA-N 0 2 401.875 3.623 20 0 HHADLN O=C(NC1CC1)c1ccc(-c2noc(-c3cccc(Br)c3O)n2)cc1 ZINC000546336673 1009349597 /nfs/dbraw/zinc/34/95/97/1009349597.db2.gz ZRFRYBBODXCIDH-UHFFFAOYSA-N 0 2 400.232 3.764 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)CCOc1cccc(Br)c1 ZINC000549731092 1009354614 /nfs/dbraw/zinc/35/46/14/1009354614.db2.gz PHDJPXDIRXNZIU-UHFFFAOYSA-N 0 2 417.263 3.656 20 0 HHADLN CN(C)c1cccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)n1 ZINC000543794472 1009362311 /nfs/dbraw/zinc/36/23/11/1009362311.db2.gz PUVPTNVZGFHRSE-UHFFFAOYSA-N 0 2 424.242 3.730 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1c(F)ccc(C)c1Br ZINC000520276712 1009393604 /nfs/dbraw/zinc/39/36/04/1009393604.db2.gz VFXZQANWEALCAH-UHFFFAOYSA-N 0 2 405.227 3.948 20 0 HHADLN O=S(=O)(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccccc1-c1ccno1 ZINC000543865044 1009432235 /nfs/dbraw/zinc/43/22/35/1009432235.db2.gz OTXJHKPIVBYSPW-GOSISDBHSA-N 0 2 410.455 3.870 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)c1Cl ZINC000520395288 1009531265 /nfs/dbraw/zinc/53/12/65/1009531265.db2.gz MQDPWYABHSIQON-UHFFFAOYSA-N 0 2 423.343 3.783 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(OC)c(F)c2C)nc1C(C)C ZINC000543958407 1009561892 /nfs/dbraw/zinc/56/18/92/1009561892.db2.gz GRAKTPXBWNSYSG-UHFFFAOYSA-N 0 2 416.496 3.700 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)c(C)c1F ZINC000543961822 1009565425 /nfs/dbraw/zinc/56/54/25/1009565425.db2.gz GBJDEEOUEJJTQX-UHFFFAOYSA-N 0 2 418.494 3.822 20 0 HHADLN Cc1noc(C)c1CO[C@@H]1CCN(C(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)C1 ZINC000546577018 1009600321 /nfs/dbraw/zinc/60/03/21/1009600321.db2.gz RJZOSRZVROHTOP-LJQANCHMSA-N 0 2 424.501 3.737 20 0 HHADLN COc1ccc(Oc2ccc(S(=O)(=O)Nc3ncn(C(C)(C)C)n3)cc2)cc1 ZINC000544079387 1009685212 /nfs/dbraw/zinc/68/52/12/1009685212.db2.gz COQKRVLZXZDBBS-UHFFFAOYSA-N 0 2 402.476 3.635 20 0 HHADLN Cc1ccc(Sc2ncccc2C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c(C)c1 ZINC000550159065 1009740480 /nfs/dbraw/zinc/74/04/80/1009740480.db2.gz HZRWWBBQQINBBX-HNNXBMFYSA-N 0 2 409.515 3.693 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3cc(C)cc(Br)c3)o2)cc1 ZINC000520718378 1009786402 /nfs/dbraw/zinc/78/64/02/1009786402.db2.gz QDUIUTLITQNDGP-UHFFFAOYSA-N 0 2 424.276 3.617 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3C[C@H](C)C[C@H]3c3cccc(OC)c3)=N2)cc1 ZINC000544322165 1009946172 /nfs/dbraw/zinc/94/61/72/1009946172.db2.gz KNJIZGVTTWAENL-QRWLVFNGSA-N 0 2 407.470 3.818 20 0 HHADLN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1ccccc1C(=O)OCC ZINC000520967288 1010010784 /nfs/dbraw/zinc/01/07/84/1010010784.db2.gz OGGBIELIXWYYGK-UHFFFAOYSA-N 0 2 418.515 3.536 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3sc([C@@H]4CCCOC4)nc3C)s[nH]2)c1 ZINC000550573700 1010037996 /nfs/dbraw/zinc/03/79/96/1010037996.db2.gz FVYBSUXLTFYOTH-CYBMUJFWSA-N 0 2 416.528 3.547 20 0 HHADLN C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000544552624 1010181774 /nfs/dbraw/zinc/18/17/74/1010181774.db2.gz ZSYJSBXVXBRADL-BBRMVZONSA-N 0 2 402.775 3.777 20 0 HHADLN C[N@H+]1CC[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000544552624 1010181784 /nfs/dbraw/zinc/18/17/84/1010181784.db2.gz ZSYJSBXVXBRADL-BBRMVZONSA-N 0 2 402.775 3.777 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ccccc3NC(=O)c3ccccc3)cc12 ZINC000547241418 1010186171 /nfs/dbraw/zinc/18/61/71/1010186171.db2.gz IVIGOQCLPXOZBH-UHFFFAOYSA-N 0 2 422.466 3.838 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CC[C@@H](c4ccccc4OC)C3)s[nH]2)c1 ZINC000544597541 1010223231 /nfs/dbraw/zinc/22/32/31/1010223231.db2.gz KNPIICAJPFHXJG-OAHLLOKOSA-N 0 2 410.499 3.666 20 0 HHADLN CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000547329323 1010255766 /nfs/dbraw/zinc/25/57/66/1010255766.db2.gz PLJPIABCHOUJGH-YOEHRIQHSA-N 0 2 423.560 3.868 20 0 HHADLN Cn1ccnc1[C@@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccccc1 ZINC000544635209 1010258106 /nfs/dbraw/zinc/25/81/06/1010258106.db2.gz GEQARGOHOUMRSN-INIZCTEOSA-N 0 2 424.917 3.925 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCO[C@H](c2cccs2)C1 ZINC000544635350 1010259245 /nfs/dbraw/zinc/25/92/45/1010259245.db2.gz LTHGNOMWWJIQHL-ZDUSSCGKSA-N 0 2 406.920 3.947 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCO[C@@H](c2cccs2)C1 ZINC000544638726 1010262935 /nfs/dbraw/zinc/26/29/35/1010262935.db2.gz LLULUTQSKUEVII-CYBMUJFWSA-N 0 2 406.920 3.947 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2[nH]nc(CC)c2-c2ccc3c(c2)OCO3)cc1 ZINC000544664158 1010282957 /nfs/dbraw/zinc/28/29/57/1010282957.db2.gz DVCPHFSLTBTUBR-UHFFFAOYSA-N 0 2 415.471 3.567 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncccc2C(C)C)cc1C(F)(F)F ZINC000551017677 1010319464 /nfs/dbraw/zinc/31/94/64/1010319464.db2.gz WDHIWFMYKPJONT-UHFFFAOYSA-N 0 2 402.394 3.811 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc(OC(F)F)c2)c1OC ZINC000551107773 1010373698 /nfs/dbraw/zinc/37/36/98/1010373698.db2.gz CWRJMYLLCZYRKA-UHFFFAOYSA-N 0 2 421.805 3.537 20 0 HHADLN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)o1 ZINC000544816727 1010409847 /nfs/dbraw/zinc/40/98/47/1010409847.db2.gz FDRTZNKCQXHEEW-UHFFFAOYSA-N 0 2 407.275 3.621 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cccc3cc[nH]c32)cc1Br ZINC000547822578 1010439519 /nfs/dbraw/zinc/43/95/19/1010439519.db2.gz OMJLWXCYOWRTAM-UHFFFAOYSA-N 0 2 411.277 3.748 20 0 HHADLN COc1cccc(CO[C@@H](C)C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c1 ZINC000521548763 1010455911 /nfs/dbraw/zinc/45/59/11/1010455911.db2.gz DWFMTWKQKZHCQF-LBPRGKRZSA-N 0 2 403.891 3.833 20 0 HHADLN CSc1cc2c(cc1NS(=O)(=O)c1cccc3c(C)ccnc31)OCCO2 ZINC000548283329 1010579565 /nfs/dbraw/zinc/57/95/65/1010579565.db2.gz PECHBCSYSXZZCV-UHFFFAOYSA-N 0 2 402.497 3.837 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)c1OC ZINC000551468180 1010604430 /nfs/dbraw/zinc/60/44/30/1010604430.db2.gz WYCSODNNCUIOPY-UHFFFAOYSA-N 0 2 422.846 3.591 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N2CCCCC[C@@H]2C)c1 ZINC000548605635 1010678768 /nfs/dbraw/zinc/67/87/68/1010678768.db2.gz ZLNREGCYQQMFKT-HNNXBMFYSA-N 0 2 418.515 3.606 20 0 HHADLN CC(=O)Nc1ccc2nc(NS(=O)(=O)c3cccc4c(C)ccnc43)sc2c1 ZINC000548611101 1010681704 /nfs/dbraw/zinc/68/17/04/1010681704.db2.gz VDRMAIVSYZVZRJ-UHFFFAOYSA-N 0 2 412.496 3.912 20 0 HHADLN CC(C)S(=O)(=O)c1cccc(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c1 ZINC000545311747 1010725654 /nfs/dbraw/zinc/72/56/54/1010725654.db2.gz XVPAGYPJDSUUPZ-UHFFFAOYSA-N 0 2 421.931 3.715 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)c1 ZINC000521962238 1010739882 /nfs/dbraw/zinc/73/98/82/1010739882.db2.gz WDRFJYLDEKICME-UHFFFAOYSA-N 0 2 419.499 3.909 20 0 HHADLN O=S(=O)(Nc1noc(C2CC2)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000545380245 1010763585 /nfs/dbraw/zinc/76/35/85/1010763585.db2.gz RLHQAHJNKPOEKW-UHFFFAOYSA-N 0 2 401.288 3.785 20 0 HHADLN COc1ccc([C@H](Cc2ccc(F)cc2)NS(=O)(=O)[C@H](C)C(F)(F)F)cc1 ZINC000545385133 1010767218 /nfs/dbraw/zinc/76/72/18/1010767218.db2.gz WRCQBOUHAHNQHH-PXAZEXFGSA-N 0 2 405.413 3.988 20 0 HHADLN COC(=O)[C@H](C)CSCc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[nH]1 ZINC000522331062 1010935170 /nfs/dbraw/zinc/93/51/70/1010935170.db2.gz LWFIYWORMXSQBU-LLVKDONJSA-N 0 2 404.513 3.703 20 0 HHADLN Cc1ccc(CNC(=O)Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)cc1 ZINC000522423084 1010999797 /nfs/dbraw/zinc/99/97/97/1010999797.db2.gz JIQDXTUFSPSBKY-UHFFFAOYSA-N 0 2 407.470 3.958 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cc(C(C)(C)C)nn3C(C)(C)C)cc21 ZINC000522435810 1011011224 /nfs/dbraw/zinc/01/12/24/1011011224.db2.gz HCZKYYWMVZASRP-UHFFFAOYSA-N 0 2 418.563 3.645 20 0 HHADLN Cc1ccc(Nc2cccc(C(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)c2)nn1 ZINC000522876844 1011319694 /nfs/dbraw/zinc/31/96/94/1011319694.db2.gz BNTYKWNKALACIT-UHFFFAOYSA-N 0 2 406.471 3.511 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cc(Cl)sc2Cl)nc1C1CC1 ZINC000536184093 1011320730 /nfs/dbraw/zinc/32/07/30/1011320730.db2.gz QFYSOLGWDOJHJE-UHFFFAOYSA-N 0 2 413.329 3.976 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C3CCC(F)(F)CC3)cc2)nc(C)n1 ZINC000536215018 1011363875 /nfs/dbraw/zinc/36/38/75/1011363875.db2.gz OKKFYNTVNTZTOK-UHFFFAOYSA-N 0 2 424.473 3.658 20 0 HHADLN COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)c1 ZINC000536303255 1011493145 /nfs/dbraw/zinc/49/31/45/1011493145.db2.gz JXFXAZWTHSYRJW-UHFFFAOYSA-N 0 2 415.462 3.681 20 0 HHADLN CCNC(=O)c1cc(NS(=O)(=O)c2cccc(Cl)c2C)nc2ccccc21 ZINC000536308868 1011502029 /nfs/dbraw/zinc/50/20/29/1011502029.db2.gz SCNZIUGKIZNQHM-UHFFFAOYSA-N 0 2 403.891 3.747 20 0 HHADLN CCOC(=O)c1ccsc1NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000540895433 1011569888 /nfs/dbraw/zinc/56/98/88/1011569888.db2.gz JMUYHRHRMQSTDT-UHFFFAOYSA-N 0 2 410.517 3.710 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ncc(C3CCCCC3)s2)cnn1-c1ccccn1 ZINC000541074955 1011715499 /nfs/dbraw/zinc/71/54/99/1011715499.db2.gz XOHRVXOYBPXOCL-UHFFFAOYSA-N 0 2 403.533 3.881 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)ns2)c(C)c1F ZINC000541174887 1011847648 /nfs/dbraw/zinc/84/76/48/1011847648.db2.gz RKULVTVXWIORDX-UHFFFAOYSA-N 0 2 413.883 3.537 20 0 HHADLN Cn1cnc(-c2cccc(NC(=O)c3[nH]nc(-c4ccccc4)c3Br)c2)n1 ZINC000541242900 1011921030 /nfs/dbraw/zinc/92/10/30/1011921030.db2.gz IGVUNYJOGJRPFR-UHFFFAOYSA-N 0 2 423.274 3.887 20 0 HHADLN Cc1noc(-c2ccc(C)c(NS(=O)(=O)c3c(C)nn(CC(C)C)c3C)c2)n1 ZINC000541307787 1012014911 /nfs/dbraw/zinc/01/49/11/1012014911.db2.gz SICOEILPUZWIHV-UHFFFAOYSA-N 0 2 403.508 3.624 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2cnc(-c3ccccc3)s2)c1 ZINC000551949237 1012031830 /nfs/dbraw/zinc/03/18/30/1012031830.db2.gz NNSIBALKMXUKGX-UHFFFAOYSA-N 0 2 402.497 3.717 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)sc1C ZINC000536901248 1012160797 /nfs/dbraw/zinc/16/07/97/1012160797.db2.gz OJDDQHKIOLVIDM-UHFFFAOYSA-N 0 2 413.524 3.764 20 0 HHADLN CC(C)(C)[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000541469942 1012235722 /nfs/dbraw/zinc/23/57/22/1012235722.db2.gz NKRQWTGWZGWKNO-ZDUSSCGKSA-N 0 2 408.549 3.844 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)C1(c2cc(F)cc(Br)c2)CC1 ZINC000552245253 1012256048 /nfs/dbraw/zinc/25/60/48/1012256048.db2.gz RCYMMUIVOGZBDR-UHFFFAOYSA-N 0 2 417.238 3.749 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cc2sc(N3CCCC3)nc2s1 ZINC000552287697 1012299097 /nfs/dbraw/zinc/29/90/97/1012299097.db2.gz MMTRHFXOBMBDET-UHFFFAOYSA-N 0 2 412.500 3.701 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2nc(C)ccc2O)cc1 ZINC000541533289 1012316282 /nfs/dbraw/zinc/31/62/82/1012316282.db2.gz NYSGILGOMNLMEW-UHFFFAOYSA-N 0 2 403.485 3.519 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cccnc1OCc1ccccc1F ZINC000552601102 1012600460 /nfs/dbraw/zinc/60/04/60/1012600460.db2.gz DUJNJYKHHPXPOR-UHFFFAOYSA-N 0 2 405.389 3.543 20 0 HHADLN CCC(=O)c1ccc(OCCCCC(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cc1 ZINC000552601506 1012601619 /nfs/dbraw/zinc/60/16/19/1012601619.db2.gz YNOCIOAPJXPFDV-UHFFFAOYSA-N 0 2 408.458 3.958 20 0 HHADLN O=C(Cc1c[nH]c2cccc(Br)c12)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552605024 1012605830 /nfs/dbraw/zinc/60/58/30/1012605830.db2.gz KCIFPIVEEALFEA-UHFFFAOYSA-N 0 2 412.247 3.602 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2cc(Br)cc(OC(C)C)c2)c1 ZINC000537196708 1012612906 /nfs/dbraw/zinc/61/29/06/1012612906.db2.gz JBYHKPQRIAOSJS-UHFFFAOYSA-N 0 2 416.293 3.751 20 0 HHADLN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C1=NN(c2ccccc2)CC1=O ZINC000552667891 1012666727 /nfs/dbraw/zinc/66/67/27/1012666727.db2.gz NMBLGMYWTXUJFZ-APWZRJJASA-N 0 2 401.825 3.630 20 0 HHADLN CC[C@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1c(C)nn(C)c1C ZINC000541795848 1012670500 /nfs/dbraw/zinc/67/05/00/1012670500.db2.gz LNGLPONWUXLMND-AWEZNQCLSA-N 0 2 404.927 3.904 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1ccc(N2CCCC2)nc1 ZINC000541797419 1012673822 /nfs/dbraw/zinc/67/38/22/1012673822.db2.gz WGZDDZOJNDTROH-UHFFFAOYSA-N 0 2 414.922 3.597 20 0 HHADLN COc1ccc(OC)c(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c1 ZINC000541798201 1012674888 /nfs/dbraw/zinc/67/48/88/1012674888.db2.gz FGQQQIWGAHXBDM-UHFFFAOYSA-N 0 2 404.879 3.619 20 0 HHADLN Cc1cnn([C@H]2CCCN(C(=O)N=c3nc(-c4ccccc4Cl)[nH]s3)C2)c1 ZINC000541798353 1012675092 /nfs/dbraw/zinc/67/50/92/1012675092.db2.gz AJFYGDZBFNVCHZ-ZDUSSCGKSA-N 0 2 402.911 3.654 20 0 HHADLN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000541799388 1012676543 /nfs/dbraw/zinc/67/65/43/1012676543.db2.gz XBNMDVLTYQVCPU-HHHXNRCGSA-N 0 2 420.947 3.682 20 0 HHADLN C[C@@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1nc(C(C)(C)C)no1 ZINC000541799326 1012676723 /nfs/dbraw/zinc/67/67/23/1012676723.db2.gz VFSQJIMPWWQEBZ-SECBINFHSA-N 0 2 406.899 3.844 20 0 HHADLN Cn1nc(C2CCCC2)cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000541936450 1012796773 /nfs/dbraw/zinc/79/67/73/1012796773.db2.gz YJNBHVSSNVDTSL-UHFFFAOYSA-N 0 2 410.499 3.622 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(F)cc3)cc2)c(C)o1 ZINC000537348659 1012813825 /nfs/dbraw/zinc/81/38/25/1012813825.db2.gz GRMZAYGVSTUKDH-UHFFFAOYSA-N 0 2 402.447 3.766 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cccc(Nc4ccc(C)nn4)c3)s[nH]2)c1 ZINC000524070804 1012833096 /nfs/dbraw/zinc/83/30/96/1012833096.db2.gz OKQORNZJNQZZFI-UHFFFAOYSA-N 0 2 418.482 3.730 20 0 HHADLN CCOc1cc2c(cc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1)O[C@H](C)C2 ZINC000542007806 1012890449 /nfs/dbraw/zinc/89/04/49/1012890449.db2.gz XDRSXLSZVDTLJN-SNVBAGLBSA-N 0 2 402.394 3.623 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)c(OC[C@@H]2CCCO2)c1 ZINC000542008813 1012893439 /nfs/dbraw/zinc/89/34/39/1012893439.db2.gz SJTKPKVYONCXSL-ZDUSSCGKSA-N 0 2 416.421 3.767 20 0 HHADLN O=S(=O)(Nc1cc(O)cc(F)c1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000488234215 1072143716 /nfs/dbraw/zinc/14/37/16/1072143716.db2.gz NGBMQEMNOUZOLC-MRXNPFEDSA-N 0 2 415.870 3.933 20 0 HHADLN COc1cc(F)ccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000488223268 1072144696 /nfs/dbraw/zinc/14/46/96/1072144696.db2.gz TUTLYLDXRHIQHL-LBPRGKRZSA-N 0 2 415.870 3.704 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(-c3csc(C)n3)cc2)c(OC)c1 ZINC000488245355 1072161162 /nfs/dbraw/zinc/16/11/62/1072161162.db2.gz REUHDGLLOGPOTP-UHFFFAOYSA-N 0 2 420.512 3.945 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)s1)c1ccccc1 ZINC000760319894 1072243871 /nfs/dbraw/zinc/24/38/71/1072243871.db2.gz IWTYTDDXKWITLO-OAHLLOKOSA-N 0 2 415.496 3.551 20 0 HHADLN O=S(=O)(Nc1ccnc(Sc2ccccn2)c1)c1cccnc1C(F)(F)F ZINC000570478089 1072248456 /nfs/dbraw/zinc/24/84/56/1072248456.db2.gz AWVXJXQCWZIAHF-UHFFFAOYSA-N 0 2 412.418 3.842 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2C)c(F)cc1F ZINC000760363453 1072281073 /nfs/dbraw/zinc/28/10/73/1072281073.db2.gz FNTNPVCQQJQYMH-UHFFFAOYSA-N 0 2 409.332 3.879 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(OC(F)F)cc3)cc2[nH]c1=S ZINC000913015739 1072317994 /nfs/dbraw/zinc/31/79/94/1072317994.db2.gz ADXQJARCQIUJDO-NSHDSACASA-N 0 2 419.453 3.798 20 0 HHADLN CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2O)C1 ZINC000760428227 1072338955 /nfs/dbraw/zinc/33/89/55/1072338955.db2.gz YPFDYJRKZJWBCM-NSHDSACASA-N 0 2 405.278 3.664 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc3c(s2)c(C)ccc3C)c1 ZINC000586752854 1072416561 /nfs/dbraw/zinc/41/65/61/1072416561.db2.gz UUYUMZYFDUKEGM-UHFFFAOYSA-N 0 2 420.512 3.899 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cccc3ncccc32)cnn1-c1cc(C)ccn1 ZINC000760523902 1072539545 /nfs/dbraw/zinc/53/95/45/1072539545.db2.gz CIMFTTLENGUWFR-UHFFFAOYSA-N 0 2 407.499 3.877 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1c(F)ccc(O)c1F ZINC000571325763 1072603090 /nfs/dbraw/zinc/60/30/90/1072603090.db2.gz RIHWTDVIUPHRPS-HNNXBMFYSA-N 0 2 415.440 3.523 20 0 HHADLN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1c(F)ccc(O)c1F ZINC000571325763 1072603094 /nfs/dbraw/zinc/60/30/94/1072603094.db2.gz RIHWTDVIUPHRPS-HNNXBMFYSA-N 0 2 415.440 3.523 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)Cc3ccc(C)cc3)s2)c1 ZINC000571558954 1072669471 /nfs/dbraw/zinc/66/94/71/1072669471.db2.gz LKAQJPFVPASFHB-UHFFFAOYSA-N 0 2 416.524 3.771 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3ccc4ccccc4c3)o2)cc1OC ZINC000571729787 1072714391 /nfs/dbraw/zinc/71/43/91/1072714391.db2.gz RIADYWAWRDRAES-UHFFFAOYSA-N 0 2 411.439 3.708 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc2c(cccc2Cl)s1 ZINC000479112931 1072729773 /nfs/dbraw/zinc/72/97/73/1072729773.db2.gz ACYWLQKYWYBKCW-UHFFFAOYSA-N 0 2 400.840 3.676 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc2c(cccc2Cl)s1 ZINC000479114487 1072731459 /nfs/dbraw/zinc/73/14/59/1072731459.db2.gz HHSKGGQDGUEUQE-UHFFFAOYSA-N 0 2 416.883 3.915 20 0 HHADLN CC(C)n1cc(S(=O)(=O)Nc2nc3cc(F)c(Br)cc3s2)cn1 ZINC000479130822 1072740756 /nfs/dbraw/zinc/74/07/56/1072740756.db2.gz LGFVBWDYDPPKMR-UHFFFAOYSA-N 0 2 419.301 3.776 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2NC(C)=O)c(F)c1 ZINC000479131149 1072741211 /nfs/dbraw/zinc/74/12/11/1072741211.db2.gz SRQRMBBVSPWIJY-UHFFFAOYSA-N 0 2 406.357 3.612 20 0 HHADLN O=S(=O)(Nc1cccc(-c2ccc3c(c2)CCO3)c1)c1cnn(CC(F)(F)F)c1 ZINC000479134695 1072746148 /nfs/dbraw/zinc/74/61/48/1072746148.db2.gz RGUIYEJEGWGFBO-UHFFFAOYSA-N 0 2 423.416 3.848 20 0 HHADLN Cc1nn(-c2ccc(Cl)cc2)c(NS(=O)(=O)c2ccc3c(c2)N(C)CC3)c1C ZINC000479138370 1072749297 /nfs/dbraw/zinc/74/92/97/1072749297.db2.gz PKTSZVCXZQUWER-UHFFFAOYSA-N 0 2 416.934 3.936 20 0 HHADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)c1 ZINC000479137709 1072749857 /nfs/dbraw/zinc/74/98/57/1072749857.db2.gz ZWXFDXDHUXWDBZ-UHFFFAOYSA-N 0 2 400.840 3.676 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)ccc1OC ZINC000479121415 1072757511 /nfs/dbraw/zinc/75/75/11/1072757511.db2.gz YMWPLGKVYDXTGQ-UHFFFAOYSA-N 0 2 412.876 3.546 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2c(C)c(C)nn2-c2ccc(Cl)cc2)cc1OC ZINC000479122090 1072759029 /nfs/dbraw/zinc/75/90/29/1072759029.db2.gz SKNRAKDVBYHOLV-UHFFFAOYSA-N 0 2 421.906 3.961 20 0 HHADLN Cc1ccc(-c2cnc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)s2)c(C)c1 ZINC000479150170 1072772060 /nfs/dbraw/zinc/77/20/60/1072772060.db2.gz AVNANQXMPSJUTC-UHFFFAOYSA-N 0 2 416.450 3.987 20 0 HHADLN CC(C)c1cc(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)n(-c2ccccc2)n1 ZINC000555134130 1073187126 /nfs/dbraw/zinc/18/71/26/1073187126.db2.gz FIHIAUFTFTUANI-UHFFFAOYSA-N 0 2 424.526 3.689 20 0 HHADLN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1cccc(Br)c1F ZINC000572159137 1073192266 /nfs/dbraw/zinc/19/22/66/1073192266.db2.gz XGBWAZVDZCFXSA-UHFFFAOYSA-N 0 2 421.313 3.740 20 0 HHADLN Cc1c(Br)cccc1NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000588834111 1073295926 /nfs/dbraw/zinc/29/59/26/1073295926.db2.gz OCJOHPPKOGZOSX-UHFFFAOYSA-N 0 2 413.268 3.582 20 0 HHADLN Cc1c(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cccc1OCC(F)(F)F ZINC000589939071 1073423714 /nfs/dbraw/zinc/42/37/14/1073423714.db2.gz RKZLCMILTZSFJX-UHFFFAOYSA-N 0 2 411.405 3.923 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(OC(F)F)nc2)cnn1-c1ccc(Cl)cc1 ZINC000555428105 1073455350 /nfs/dbraw/zinc/45/53/50/1073455350.db2.gz GVYJAXOCMRQMDO-UHFFFAOYSA-N 0 2 414.821 3.631 20 0 HHADLN O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000555557758 1073625027 /nfs/dbraw/zinc/62/50/27/1073625027.db2.gz BIIWRYNCOQQYJS-RRFJBIMHSA-N 0 2 409.515 3.576 20 0 HHADLN COCCOc1ncccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000590264603 1073719416 /nfs/dbraw/zinc/71/94/16/1073719416.db2.gz KLVJZQIASXDNMY-UHFFFAOYSA-N 0 2 411.694 3.868 20 0 HHADLN CN(C)c1cccc(S(=O)(=O)Nc2nnc(Cc3ccc4ccccc4c3)o2)c1 ZINC000572945243 1073880360 /nfs/dbraw/zinc/88/03/60/1073880360.db2.gz NLYRFXFSLLKFRO-UHFFFAOYSA-N 0 2 408.483 3.680 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc4ccccc4c3)o2)cc1C ZINC000556039577 1074059473 /nfs/dbraw/zinc/05/94/73/1074059473.db2.gz POZUGHAFKSEFIC-UHFFFAOYSA-N 0 2 409.467 3.931 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)N[C@@H](c2nccs2)C(F)(F)F)s1 ZINC000573025382 1074063931 /nfs/dbraw/zinc/06/39/31/1074063931.db2.gz HZQSDAPPDSCBOY-ZETCQYMHSA-N 0 2 421.285 3.857 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2ncc(Cc3ccccc3Cl)s2)c1 ZINC000591707072 1074498348 /nfs/dbraw/zinc/49/83/48/1074498348.db2.gz QDHZNEVEGHKATQ-UHFFFAOYSA-N 0 2 422.915 3.975 20 0 HHADLN COC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(C)cc1Cl ZINC000591885394 1074617039 /nfs/dbraw/zinc/61/70/39/1074617039.db2.gz VLENPLZFBRFFLB-UHFFFAOYSA-N 0 2 418.696 3.998 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NC2CCC(O)(c3ccccc3)CC2)=N1 ZINC000760996421 1075113814 /nfs/dbraw/zinc/11/38/14/1075113814.db2.gz TVNMCCPTKHFDIA-UHFFFAOYSA-N 0 2 409.461 3.586 20 0 HHADLN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(Cl)c1 ZINC000594417015 1075321480 /nfs/dbraw/zinc/32/14/80/1075321480.db2.gz VDVTWSZKHQYVGF-UHFFFAOYSA-N 0 2 423.903 3.858 20 0 HHADLN O=S(=O)(Cc1ccccc1NS(=O)(=O)c1cccc(F)c1F)c1ccccc1 ZINC000594576705 1075337801 /nfs/dbraw/zinc/33/78/01/1075337801.db2.gz ZBKGGHJKANLHES-UHFFFAOYSA-N 0 2 423.462 3.740 20 0 HHADLN CC1CCN(Cc2csc(NS(=O)(=O)c3ccc(Cl)cc3F)n2)CC1 ZINC000594873317 1075366507 /nfs/dbraw/zinc/36/65/07/1075366507.db2.gz OWFCRKJOUMXJOK-UHFFFAOYSA-N 0 2 403.932 3.968 20 0 HHADLN O=C(NC1(C2CC2)CC1)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC000761194946 1075577884 /nfs/dbraw/zinc/57/78/84/1075577884.db2.gz VKLJCSAALIMEOF-UHFFFAOYSA-N 0 2 405.523 3.600 20 0 HHADLN NC(=O)c1ccc(Oc2ccc(C(=O)N=c3nc(-c4ccsc4)[nH]s3)cc2)cc1 ZINC000597017520 1075613543 /nfs/dbraw/zinc/61/35/43/1075613543.db2.gz QFELDEIBHFYUNT-UHFFFAOYSA-N 0 2 422.491 3.832 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N(C)Cc3ccc(OC(F)F)cc3)cc2[nH]c1=S ZINC000302853859 971354917 /nfs/dbraw/zinc/35/49/17/971354917.db2.gz ZUAPBBDAWHVJKN-UHFFFAOYSA-N 0 2 419.453 3.579 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2[nH]c1=S ZINC000302889121 971373919 /nfs/dbraw/zinc/37/39/19/971373919.db2.gz BTBXZFCOUYBABZ-UHFFFAOYSA-N 0 2 409.389 3.856 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000524297553 1013108897 /nfs/dbraw/zinc/10/88/97/1013108897.db2.gz HDHFDOSZJCEHRW-UHFFFAOYSA-N 0 2 424.475 3.670 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccccc2F)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC000524297942 1013109031 /nfs/dbraw/zinc/10/90/31/1013109031.db2.gz GFBRRDYPZZEASM-UHFFFAOYSA-N 0 2 400.357 3.534 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccnn2Cc2cccc(C)c2)c2cccnc12 ZINC000524298455 1013110873 /nfs/dbraw/zinc/11/08/73/1013110873.db2.gz JXBCWRDNNDCUMO-UHFFFAOYSA-N 0 2 408.483 3.597 20 0 HHADLN CCOc1ccc(-c2nc(CC(=O)N=c3nc(C(C)(C)C)[nH]s3)cs2)cc1 ZINC000524337203 1013160251 /nfs/dbraw/zinc/16/02/51/1013160251.db2.gz ZVJBKSYUWAFIHM-UHFFFAOYSA-N 0 2 402.545 3.961 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cc(F)c(OC(C)C)c(F)c2)cc1OC ZINC000542232197 1013187382 /nfs/dbraw/zinc/18/73/82/1013187382.db2.gz LDNLDHMSPWPODA-UHFFFAOYSA-N 0 2 405.394 3.709 20 0 HHADLN CCOC(=O)c1cc(NS(=O)(=O)c2cnn(C)c2)ccc1Sc1ccccc1 ZINC000542237758 1013196576 /nfs/dbraw/zinc/19/65/76/1013196576.db2.gz OEVWSIJIGZFWFF-UHFFFAOYSA-N 0 2 417.512 3.549 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2)s1)c1ccc(Br)cc1 ZINC000005942119 960803205 /nfs/dbraw/zinc/80/32/05/960803205.db2.gz QZDRGBHRXVIYKW-UHFFFAOYSA-N 0 2 410.318 3.692 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCC3CCCC3)cc2)nc(C)n1 ZINC000005925162 960803554 /nfs/dbraw/zinc/80/35/54/960803554.db2.gz JJDMMDGLZNYIGF-UHFFFAOYSA-N 0 2 402.520 3.803 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)cn1 ZINC000537651561 1013212594 /nfs/dbraw/zinc/21/25/94/1013212594.db2.gz VLLZNFHSCQBQPQ-UHFFFAOYSA-N 0 2 404.394 3.614 20 0 HHADLN O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1Cl ZINC000012970400 962357631 /nfs/dbraw/zinc/35/76/31/962357631.db2.gz SIFUNLRBISBKOE-UHFFFAOYSA-N 0 2 404.797 3.685 20 0 HHADLN COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccc(C(C)=O)cc3)n2)c1 ZINC000016096781 962942908 /nfs/dbraw/zinc/94/29/08/962942908.db2.gz VHKOLNWIJOMLCH-UHFFFAOYSA-N 0 2 418.496 3.831 20 0 HHADLN CCCNC(=S)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000016216638 962983587 /nfs/dbraw/zinc/98/35/87/962983587.db2.gz JKTIZOQWFMUDNQ-UHFFFAOYSA-N 0 2 413.952 3.846 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)NCc3cccc(Cl)c3)cc2[nH]c1=S ZINC000017117853 963155854 /nfs/dbraw/zinc/15/58/54/963155854.db2.gz VJLCBTUQAVGBIP-UHFFFAOYSA-N 0 2 417.918 3.679 20 0 HHADLN COc1ccc(C)cc1NS(=O)(=O)c1cc(OC)c(OC)cc1Br ZINC000017319724 963187045 /nfs/dbraw/zinc/18/70/45/963187045.db2.gz KCHRGCDOEIYYEC-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN Cc1n[nH]c(NS(=O)(=O)c2c(C)cc(C)cc2C)c1-c1ccc2c(c1)OCCO2 ZINC000537872986 1013448274 /nfs/dbraw/zinc/44/82/74/1013448274.db2.gz LVWRPNCBMGGESA-UHFFFAOYSA-N 0 2 413.499 3.882 20 0 HHADLN CC1CCN([C@H](CNS(=O)(=O)c2c(F)cccc2F)c2cccs2)CC1 ZINC000023994503 963916970 /nfs/dbraw/zinc/91/69/70/963916970.db2.gz PBCYLQJTGSDLLJ-MRXNPFEDSA-N 0 2 400.516 3.778 20 0 HHADLN O=C(Nc1cccc(-c2cn[nH]n2)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000542516300 1013459177 /nfs/dbraw/zinc/45/91/77/1013459177.db2.gz QHBCQBMTXDHMPG-UHFFFAOYSA-N 0 2 419.466 3.525 20 0 HHADLN CC(C)n1c(=O)c2ccc(Cl)cc2nc1SCC(=O)NOCc1ccccc1 ZINC000049710950 964200842 /nfs/dbraw/zinc/20/08/42/964200842.db2.gz LOJFNIXZITWNBJ-UHFFFAOYSA-N 0 2 417.918 3.971 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1OC ZINC000026530268 964590608 /nfs/dbraw/zinc/59/06/08/964590608.db2.gz NDHQUBUMGJOSEW-UHFFFAOYSA-N 0 2 411.785 3.899 20 0 HHADLN Cc1oncc1C(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000057119981 965289631 /nfs/dbraw/zinc/28/96/31/965289631.db2.gz ZZPVUKWWUZQSJS-UHFFFAOYSA-N 0 2 409.826 3.829 20 0 HHADLN Cc1nc(-c2cccc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)c2)oc1C ZINC000057119678 965289855 /nfs/dbraw/zinc/28/98/55/965289855.db2.gz BABLCEBELADVIO-UHFFFAOYSA-N 0 2 415.446 3.783 20 0 HHADLN COCCOC(=O)Cc1nc(=O)c2sc(-c3ccc(Cl)cc3Cl)cc2[nH]1 ZINC000053851036 965293205 /nfs/dbraw/zinc/29/32/05/965293205.db2.gz KDKNYPVXSMETEA-UHFFFAOYSA-N 0 2 413.282 3.691 20 0 HHADLN O=C(Cc1nc(=O)c2sc(-c3ccc4c(c3)OCO4)cc2[nH]1)c1ccccc1F ZINC000053854670 965295340 /nfs/dbraw/zinc/29/53/40/965295340.db2.gz LYZUYTOQADAWSB-UHFFFAOYSA-N 0 2 408.410 3.945 20 0 HHADLN O=c1nc(Cc2nc3ccccc3[nH]2)[nH]c2cc(-c3ccc4c(c3)OCO4)sc21 ZINC000053854787 965295403 /nfs/dbraw/zinc/29/54/03/965295403.db2.gz HNEGICHYDITCOA-UHFFFAOYSA-N 0 2 402.435 3.847 20 0 HHADLN O=C(NNC(=O)c1c2c(nc3ccccc31)/C(=C/c1ccco1)CC2)c1ccccn1 ZINC000029505518 965395403 /nfs/dbraw/zinc/39/54/03/965395403.db2.gz RLPIVXIXFVGXMF-CCEZHUSRSA-N 0 2 410.433 3.784 20 0 HHADLN CC(C)c1ccc(-c2nc(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)cs2)cc1 ZINC000029518525 965398474 /nfs/dbraw/zinc/39/84/74/965398474.db2.gz KAIQOASKCLNYJH-UHFFFAOYSA-N 0 2 412.515 3.833 20 0 HHADLN Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cc(-c2ccccc2F)on1 ZINC000030034050 965606507 /nfs/dbraw/zinc/60/65/07/965606507.db2.gz ZSSXBXBVKJSLTB-UHFFFAOYSA-N 0 2 422.441 3.987 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)c3ccccc23)cn1 ZINC000538015235 1013587961 /nfs/dbraw/zinc/58/79/61/1013587961.db2.gz LSEBQPWCMJMHJB-UHFFFAOYSA-N 0 2 421.272 3.585 20 0 HHADLN COc1ccc(OC(F)F)c(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000054829715 965660806 /nfs/dbraw/zinc/66/08/06/965660806.db2.gz KUAOSECWPVNJKF-UHFFFAOYSA-N 0 2 408.766 3.659 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)Nc3ccc4ncccc4c3)cc2[nH]c1=S ZINC000058329122 965694098 /nfs/dbraw/zinc/69/40/98/965694098.db2.gz KJOHWMLXBSVUFV-UHFFFAOYSA-N 0 2 420.494 3.522 20 0 HHADLN CCCCCC/N=C1\NC(=O)C(CC(=O)Nc2ccccc2Br)S1 ZINC000055117426 965760717 /nfs/dbraw/zinc/76/07/17/965760717.db2.gz JFVMKOUTGBVVTM-AWEZNQCLSA-N 0 2 412.353 3.946 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCc3cccc(OC(F)F)c3)s[nH]2)c1 ZINC000542689163 1013608732 /nfs/dbraw/zinc/60/87/32/1013608732.db2.gz PZUCEOHGLNYGQX-UHFFFAOYSA-N 0 2 406.414 3.559 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000055558337 965915718 /nfs/dbraw/zinc/91/57/18/965915718.db2.gz SSWBIKSYWRRBML-UHFFFAOYSA-N 0 2 418.412 3.790 20 0 HHADLN CC(C)(C)c1nc2cc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)ccc2o1 ZINC000055586235 965939764 /nfs/dbraw/zinc/93/97/64/965939764.db2.gz UHTUCOHCNAHKKU-UHFFFAOYSA-N 0 2 417.462 3.950 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1c(C)cc(Br)cc1C ZINC000055619497 965967002 /nfs/dbraw/zinc/96/70/02/965967002.db2.gz ZRYOAEBLODJCLS-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccc(OCc3ccccc3)nc2)cc1OC ZINC000055639766 965984448 /nfs/dbraw/zinc/98/44/48/965984448.db2.gz FNODWYPTGHZNSV-UHFFFAOYSA-N 0 2 418.446 3.618 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c1 ZINC000055650897 965996682 /nfs/dbraw/zinc/99/66/82/965996682.db2.gz BQMJXBAGXQBJNB-UHFFFAOYSA-N 0 2 418.515 3.521 20 0 HHADLN O=C(NCC1CCC1)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1Cl)c2=O ZINC000031439914 966017573 /nfs/dbraw/zinc/01/75/73/966017573.db2.gz LMGZQHPRBFAWPY-UHFFFAOYSA-N 0 2 413.930 3.917 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N[C@H](CC)c3ccccc3OC)cc2[nH]c1=S ZINC000031617613 966068214 /nfs/dbraw/zinc/06/82/14/966068214.db2.gz UTUDGERBLXEREA-QGZVFWFLSA-N 0 2 409.511 3.761 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)NCCc3cccc4ccccc43)cc2[nH]c1=S ZINC000031955709 966160717 /nfs/dbraw/zinc/16/07/17/966160717.db2.gz GDCRYAKFNZJJJZ-UHFFFAOYSA-N 0 2 415.518 3.997 20 0 HHADLN COc1ccc([C@@H](CCO)NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1 ZINC000542726710 1013638635 /nfs/dbraw/zinc/63/86/35/1013638635.db2.gz CMOOOZSXEJWWEM-MRXNPFEDSA-N 0 2 418.906 3.534 20 0 HHADLN Cc1cccc(C)c1NC(=O)CNC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000542727997 1013639947 /nfs/dbraw/zinc/63/99/47/1013639947.db2.gz WWQKKRYKMJANMK-UHFFFAOYSA-N 0 2 415.906 3.657 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCO[C@@H](c2ccccc2)C1 ZINC000542730741 1013643257 /nfs/dbraw/zinc/64/32/57/1013643257.db2.gz VMRFLHWUBBTESY-MRXNPFEDSA-N 0 2 400.891 3.886 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCO[C@H](c2ccccc2)C1 ZINC000542730739 1013643374 /nfs/dbraw/zinc/64/33/74/1013643374.db2.gz VMRFLHWUBBTESY-INIZCTEOSA-N 0 2 400.891 3.886 20 0 HHADLN COCCCNC(=O)NNC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl ZINC000061431728 966460806 /nfs/dbraw/zinc/46/08/06/966460806.db2.gz FZOKLDVPPDCXCO-UHFFFAOYSA-N 0 2 410.710 3.842 20 0 HHADLN Cc1csc(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)n1 ZINC000037383509 966474784 /nfs/dbraw/zinc/47/47/84/966474784.db2.gz ZVMRUMXIWLMRIV-UHFFFAOYSA-N 0 2 402.122 4.322 20 0 HHADLN Cc1ccc(OCc2ccc(C(=O)NNC(=O)CCOc3ccccc3)o2)c(C)c1 ZINC000061475119 966475678 /nfs/dbraw/zinc/47/56/78/966475678.db2.gz CMMNUAJBRFYGPI-UHFFFAOYSA-N 0 2 408.454 3.706 20 0 HHADLN Cc1cnc(NS(=O)(=O)c2ccc(Br)cc2Br)s1 ZINC000037574780 966475733 /nfs/dbraw/zinc/47/57/33/966475733.db2.gz DTATYCPZCIWTFB-UHFFFAOYSA-N 0 2 412.128 3.777 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)oc1C ZINC000542756828 1013663627 /nfs/dbraw/zinc/66/36/27/1013663627.db2.gz VVIAYEMYQRRVSW-ZDUSSCGKSA-N 0 2 411.785 3.610 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccc(F)cc3)cc2[nH]c1=S ZINC000041869012 966656871 /nfs/dbraw/zinc/65/68/71/966656871.db2.gz HCMPWGPTPSYFBX-IBGZPJMESA-N 0 2 409.486 3.988 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccc(F)cc3)cc2[nH]c1=S ZINC000041869010 966657015 /nfs/dbraw/zinc/65/70/15/966657015.db2.gz HCMPWGPTPSYFBX-LJQANCHMSA-N 0 2 409.486 3.988 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2c(C)cc(Br)cc2C)c1 ZINC000063176909 966767309 /nfs/dbraw/zinc/76/73/09/966767309.db2.gz KDCUPHIJGXKBRP-UHFFFAOYSA-N 0 2 416.268 3.792 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cccc(COCc3ccco3)c2)c1 ZINC000063177700 966768016 /nfs/dbraw/zinc/76/80/16/966768016.db2.gz CYMKQCWQXZAFLQ-UHFFFAOYSA-N 0 2 419.430 3.723 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ncc(Cc3ccccc3F)s2)c1 ZINC000063185205 966772301 /nfs/dbraw/zinc/77/23/01/966772301.db2.gz CITBEDBBEWWRMS-UHFFFAOYSA-N 0 2 424.450 3.600 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1cccc2ccncc21 ZINC000542800561 1013686302 /nfs/dbraw/zinc/68/63/02/1013686302.db2.gz QGHGBPQMGOHMFP-UHFFFAOYSA-N 0 2 411.252 3.946 20 0 HHADLN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000064477110 967203316 /nfs/dbraw/zinc/20/33/16/967203316.db2.gz XXCQVHKVCPDNOW-MRXNPFEDSA-N 0 2 419.499 3.530 20 0 HHADLN O=c1[nH]nc(CSc2nnc(-c3ccccc3F)n2-c2ccc(Cl)cc2)[nH]1 ZINC000538147766 1013707748 /nfs/dbraw/zinc/70/77/48/1013707748.db2.gz NXYHGORRJOAAMW-UHFFFAOYSA-N 0 2 402.842 3.843 20 0 HHADLN Cc1cccc(NC(=S)NNC(=O)c2cnn3c2nccc3-c2ccccc2)c1C ZINC000045081256 967349258 /nfs/dbraw/zinc/34/92/58/967349258.db2.gz GKYLFVODWUUMLW-UHFFFAOYSA-N 0 2 416.510 3.645 20 0 HHADLN CC(C)Cn1ccc2cc(NS(=O)(=O)c3cc(S(C)(=O)=O)ccc3F)ccc21 ZINC000065069722 967364240 /nfs/dbraw/zinc/36/42/40/967364240.db2.gz GMMNPQLHTAJRIE-UHFFFAOYSA-N 0 2 424.519 3.641 20 0 HHADLN C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000065083349 967369623 /nfs/dbraw/zinc/36/96/23/967369623.db2.gz RIYNIJZESJZUJT-NSHDSACASA-N 0 2 419.865 3.831 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)NCc3ccc4ccccc4c3)cc2[nH]c1=S ZINC000045201430 967379505 /nfs/dbraw/zinc/37/95/05/967379505.db2.gz PESUZOJFBFXNAI-UHFFFAOYSA-N 0 2 401.491 3.954 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)NCc3ccc4[nH]c(C)c(C)c4c3)cc2[nH]c1=S ZINC000065216916 967409937 /nfs/dbraw/zinc/40/99/37/967409937.db2.gz FZULULFQCNOHDV-UHFFFAOYSA-N 0 2 418.522 3.899 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1F ZINC000542865918 1013720203 /nfs/dbraw/zinc/72/02/03/1013720203.db2.gz YOFAVYFUYAFDPI-UHFFFAOYSA-N 0 2 417.531 3.950 20 0 HHADLN Cc1oc(-c2cccs2)nc1C(=O)NNC(=O)c1ccccc1Br ZINC000046572427 967864497 /nfs/dbraw/zinc/86/44/97/967864497.db2.gz JRPQEDSZGKTIOB-UHFFFAOYSA-N 0 2 406.261 3.549 20 0 HHADLN Cc1oc(-c2cccs2)nc1C(=O)Nn1cnc2sc3c(c2c1=O)CCCC3 ZINC000047055427 968043042 /nfs/dbraw/zinc/04/30/42/968043042.db2.gz PRVPBEUBASOCPW-UHFFFAOYSA-N 0 2 412.496 3.746 20 0 HHADLN CCc1nc2cc(S(=O)(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)ccc2o1 ZINC000542943748 1013776646 /nfs/dbraw/zinc/77/66/46/1013776646.db2.gz VTRNPHAPCIFMDE-UHFFFAOYSA-N 0 2 405.501 3.803 20 0 HHADLN Cc1cccc(NC(=S)NNC(=O)c2ccc(CSc3nccn3C)o2)c1C ZINC000047435451 968189983 /nfs/dbraw/zinc/18/99/83/968189983.db2.gz YWIXCUOLAMACJS-UHFFFAOYSA-N 0 2 415.544 3.554 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(-c4cnco4)c3)cc2[nH]c1=S ZINC000048282422 968510647 /nfs/dbraw/zinc/51/06/47/968510647.db2.gz HYPCQWVPFXJLGB-UHFFFAOYSA-N 0 2 404.451 3.779 20 0 HHADLN COc1ccc(CCC(=O)NNC(=O)c2ccc(COc3ccc(C)cc3C)o2)cc1 ZINC000065741759 968620915 /nfs/dbraw/zinc/62/09/15/968620915.db2.gz ZOCZNJARMKVZSL-UHFFFAOYSA-N 0 2 422.481 3.878 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1 ZINC000538297236 1013832479 /nfs/dbraw/zinc/83/24/79/1013832479.db2.gz ZIQMWGCXFXNFHG-UHFFFAOYSA-N 0 2 413.455 3.846 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1OC ZINC000071869692 968877394 /nfs/dbraw/zinc/87/73/94/968877394.db2.gz CUHCCNMLGQSDIC-UHFFFAOYSA-N 0 2 401.488 3.616 20 0 HHADLN Cc1noc2ncc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)cc12 ZINC000072066836 968968841 /nfs/dbraw/zinc/96/88/41/968968841.db2.gz LQDAWVJNMBGQJB-UHFFFAOYSA-N 0 2 423.376 3.537 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000072089927 968983932 /nfs/dbraw/zinc/98/39/32/968983932.db2.gz MZVBLNNYKMBWHP-UHFFFAOYSA-N 0 2 400.840 3.676 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)C3)ccc2F)cc1 ZINC000098066444 969188092 /nfs/dbraw/zinc/18/80/92/969188092.db2.gz YOGMMDIOUXTWNI-AWEZNQCLSA-N 0 2 406.479 3.507 20 0 HHADLN O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000138937116 970015572 /nfs/dbraw/zinc/01/55/72/970015572.db2.gz BXGYCVLOHHTHTP-UYAOXDASSA-N 0 2 417.490 3.986 20 0 HHADLN C[N@@H+](Cc1ccccc1)C1CN(C(=O)Nc2ccccc2CN2CCSCC2)C1 ZINC000554414862 1013939698 /nfs/dbraw/zinc/93/96/98/1013939698.db2.gz ITVQHCCHDLRHJG-UHFFFAOYSA-N 0 2 410.587 3.584 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3cc(C)nn3-c3ccc(F)cc3)cc2[nH]c1=S ZINC000218445036 970085459 /nfs/dbraw/zinc/08/54/59/970085459.db2.gz GMNMELXIOGQHIU-UHFFFAOYSA-N 0 2 423.473 3.591 20 0 HHADLN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)cc1 ZINC000148129010 970349688 /nfs/dbraw/zinc/34/96/88/970349688.db2.gz XFWDZBTZTXLCJC-GFCCVEGCSA-N 0 2 405.476 3.574 20 0 HHADLN O=C([O-])CN(CCc1ccc(Cl)cc1Cl)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000238123473 970444539 /nfs/dbraw/zinc/44/45/39/970444539.db2.gz XWTGBTAUBXMMRS-UHFFFAOYSA-N 0 2 418.280 3.949 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NC[C@H](Nc3ccccc3)C(C)C)cc2[nH]c1=S ZINC000248294587 970526724 /nfs/dbraw/zinc/52/67/24/970526724.db2.gz WFTJBGWZNQNMLQ-IBGZPJMESA-N 0 2 410.543 3.572 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)cc2[nH]c1=S ZINC000261378308 970634312 /nfs/dbraw/zinc/63/43/12/970634312.db2.gz HIQZJAPTOJPTJD-PXNSSMCTSA-N 0 2 423.538 3.603 20 0 HHADLN COC(=O)c1cc(C)ccc1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000319915240 972674896 /nfs/dbraw/zinc/67/48/96/972674896.db2.gz ZAEZJLRUGPYZAJ-UHFFFAOYSA-N 0 2 418.696 3.998 20 0 HHADLN O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)Nc1nc2ccccc2s1 ZINC000320588024 972682853 /nfs/dbraw/zinc/68/28/53/972682853.db2.gz BUOOMHVBNQWEGM-UHFFFAOYSA-N 0 2 414.262 3.768 20 0 HHADLN O=S(=O)(Nc1ccc(OCC(F)(F)F)nc1)c1cnc(Cl)c(Cl)c1 ZINC000325700643 972734414 /nfs/dbraw/zinc/73/44/14/972734414.db2.gz KIAPOQFYVSSYJT-UHFFFAOYSA-N 0 2 402.181 3.525 20 0 HHADLN NC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)cc1Cl ZINC000389811999 972815743 /nfs/dbraw/zinc/81/57/43/972815743.db2.gz MSBWXMXDHQMNFT-UHFFFAOYSA-N 0 2 424.103 3.656 20 0 HHADLN COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cc(Br)sc1C ZINC000390892095 972832549 /nfs/dbraw/zinc/83/25/49/972832549.db2.gz ZPJBDMQPRIHTEP-UHFFFAOYSA-N 0 2 419.322 3.587 20 0 HHADLN O=S(=O)(Nc1cnc(-c2ccccc2)nc1)c1ccc(F)cc1Br ZINC000391981479 972846966 /nfs/dbraw/zinc/84/69/66/972846966.db2.gz ORZAOZWUACBKCF-UHFFFAOYSA-N 0 2 408.252 3.846 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccnn2Cc2cccc(Br)c2)c1 ZINC000409455396 972899799 /nfs/dbraw/zinc/89/97/99/972899799.db2.gz GQAZFFMIUXOLQU-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN CCOC(=O)c1cccc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)c1 ZINC000409486232 972936384 /nfs/dbraw/zinc/93/63/84/972936384.db2.gz NAKAZIXHYYPVOQ-UHFFFAOYSA-N 0 2 402.497 3.711 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3nc(Cc4ccccc4)cs3)c(F)cc2N1 ZINC000409490753 972942235 /nfs/dbraw/zinc/94/22/35/972942235.db2.gz ITIDVWANIOHYQT-UHFFFAOYSA-N 0 2 417.487 3.559 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)c1 ZINC000409524255 972979112 /nfs/dbraw/zinc/97/91/12/972979112.db2.gz YEVQXCWZNLXYKU-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 ZINC000409537672 972994009 /nfs/dbraw/zinc/99/40/09/972994009.db2.gz VROBIFZBNNYNJU-UHFFFAOYSA-N 0 2 408.476 3.691 20 0 HHADLN COc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cc1OC ZINC000409542536 972998310 /nfs/dbraw/zinc/99/83/10/972998310.db2.gz HMVVVODZHKRTPO-UHFFFAOYSA-N 0 2 421.226 3.643 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1ccc2ccccc2n1 ZINC000409542234 972998592 /nfs/dbraw/zinc/99/85/92/972998592.db2.gz FSGZAGPRFOTBEQ-UHFFFAOYSA-N 0 2 412.222 4.174 20 0 HHADLN O=C(COc1ccc(F)cc1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000409543724 973000446 /nfs/dbraw/zinc/00/04/46/973000446.db2.gz NCOTUNSZMHKUMY-UHFFFAOYSA-N 0 2 409.190 3.530 20 0 HHADLN CC(=O)c1cccc(S(=O)(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000409582698 973032768 /nfs/dbraw/zinc/03/27/68/973032768.db2.gz BOIOIZJHBJCRST-UHFFFAOYSA-N 0 2 423.416 3.954 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccnn2Cc2ccccc2Br)c1 ZINC000409583694 973033363 /nfs/dbraw/zinc/03/33/63/973033363.db2.gz HJSIZCXDSYIUJM-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN CC(C)(C)c1cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)n(C(C)(C)C)n1 ZINC000409584817 973035063 /nfs/dbraw/zinc/03/50/63/973035063.db2.gz YTZIKRBGQAZZNP-UHFFFAOYSA-N 0 2 401.536 3.922 20 0 HHADLN Cc1cccc(Oc2ccc(S(=O)(=O)Nc3ccnn3C[C@H]3CCOC3)cc2)c1 ZINC000409612216 973059823 /nfs/dbraw/zinc/05/98/23/973059823.db2.gz LIZMQYOOBLTDPG-QGZVFWFLSA-N 0 2 413.499 3.821 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)C1(c2cncc(Br)c2)CC1 ZINC000409740031 973214747 /nfs/dbraw/zinc/21/47/47/973214747.db2.gz KWPJHXRNPXBNFL-UHFFFAOYSA-N 0 2 420.217 3.578 20 0 HHADLN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N=c1nc(C(C)(C)C)[nH]s1)O[C@@H](C)C2 ZINC000409926966 973388455 /nfs/dbraw/zinc/38/84/55/973388455.db2.gz SZXUZLMFALKTCS-CORIIIEPSA-N 0 2 401.532 3.722 20 0 HHADLN CCc1cc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c2c(CC(C)(C)C)noc2n1 ZINC000409969653 973438299 /nfs/dbraw/zinc/43/82/99/973438299.db2.gz DSELQWUYCALWIH-UHFFFAOYSA-N 0 2 422.514 3.962 20 0 HHADLN Cc1c(NS(=O)(=O)Cc2cccc(C)c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000410331694 973906893 /nfs/dbraw/zinc/90/68/93/973906893.db2.gz CRRHCNZEWXKYBG-UHFFFAOYSA-N 0 2 424.448 3.904 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3nnc(Cc4ccsc4)o3)c2)n1 ZINC000410334315 973913295 /nfs/dbraw/zinc/91/32/95/973913295.db2.gz DVGIOYQDTCLFNO-UHFFFAOYSA-N 0 2 418.525 3.955 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3nnc(CC(F)(F)F)s3)c2)n1 ZINC000410337188 973919588 /nfs/dbraw/zinc/91/95/88/973919588.db2.gz IQGMZCQUXFPIJM-UHFFFAOYSA-N 0 2 420.463 3.876 20 0 HHADLN CCOc1cccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c1 ZINC000410341874 973928338 /nfs/dbraw/zinc/92/83/38/973928338.db2.gz DDACXRHYQBRLGI-UHFFFAOYSA-N 0 2 409.920 3.982 20 0 HHADLN O=S(=O)(Nc1ccnn1CCc1ccccc1)c1cccc(Br)c1F ZINC000410392841 973990725 /nfs/dbraw/zinc/99/07/25/973990725.db2.gz MNTJRDBOCAVSNF-UHFFFAOYSA-N 0 2 424.295 3.828 20 0 HHADLN Cc1nc(-c2ccccc2)sc1NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000410394396 973992824 /nfs/dbraw/zinc/99/28/24/973992824.db2.gz AMTIVLWIRWFTPZ-UHFFFAOYSA-N 0 2 407.904 3.672 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2sc(-c3ccccc3)nc2C)cc1OC ZINC000410395028 973994192 /nfs/dbraw/zinc/99/41/92/973994192.db2.gz KCJCYTQMNLEZPJ-UHFFFAOYSA-N 0 2 418.496 3.715 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cc(-c2ccnn2C)ccc1C ZINC000410412795 974011016 /nfs/dbraw/zinc/01/10/16/974011016.db2.gz GAQCGGCMFZWJIR-UHFFFAOYSA-N 0 2 401.536 3.666 20 0 HHADLN CC(C)Oc1cc(Br)cc(NS(=O)(=O)c2cnn(C(C)C)c2)c1 ZINC000425992176 974104920 /nfs/dbraw/zinc/10/49/20/974104920.db2.gz BFRRUDWYUQRRRZ-UHFFFAOYSA-N 0 2 402.314 3.815 20 0 HHADLN COCCc1nsc(NC[C@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)n1 ZINC000426573267 974537691 /nfs/dbraw/zinc/53/76/91/974537691.db2.gz KUSPVGPKFRDWDI-SFHVURJKSA-N 0 2 408.527 3.883 20 0 HHADLN Cc1c(Cl)cccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000426982944 974798544 /nfs/dbraw/zinc/79/85/44/974798544.db2.gz LZPQCQRDQJOYFS-UHFFFAOYSA-N 0 2 408.892 3.553 20 0 HHADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCCN2c3ccccc3C[C@H]2C1 ZINC000427035048 974845724 /nfs/dbraw/zinc/84/57/24/974845724.db2.gz QUGGXMJUDPUXTR-SFHVURJKSA-N 0 2 408.889 3.509 20 0 HHADLN O=S(=O)(Nc1ccc(O[C@H]2CCOC2)cc1)c1cccc(OC(F)(F)F)c1F ZINC000427262346 975011646 /nfs/dbraw/zinc/01/16/46/975011646.db2.gz HJJBBYPQYZBBJF-ZDUSSCGKSA-N 0 2 421.368 3.693 20 0 HHADLN O=S(=O)(Nc1ccc(-c2cncnc2)cc1)c1cccc(OC(F)(F)F)c1F ZINC000427279776 975022081 /nfs/dbraw/zinc/02/20/81/975022081.db2.gz GKNHCVAAVWRFBK-UHFFFAOYSA-N 0 2 413.352 3.982 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cn(-c3ccccc3)nc2C)c1 ZINC000427345869 975068282 /nfs/dbraw/zinc/06/82/82/975068282.db2.gz QYUACMANVFINSC-UHFFFAOYSA-N 0 2 419.890 3.812 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)cc2cccnc21 ZINC000427641229 975220973 /nfs/dbraw/zinc/22/09/73/975220973.db2.gz FLFIMDSCTJKIOZ-UHFFFAOYSA-N 0 2 423.853 3.795 20 0 HHADLN Cc1nc2ccc(S(=O)(=O)Nc3nnc(CCc4ccccc4)o3)cc2s1 ZINC000427747887 975265973 /nfs/dbraw/zinc/26/59/73/975265973.db2.gz VWVMRBPDLCSWMH-UHFFFAOYSA-N 0 2 400.485 3.574 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)cnc1C ZINC000427747554 975265990 /nfs/dbraw/zinc/26/59/90/975265990.db2.gz LPXPFTGQIFVDJC-UHFFFAOYSA-N 0 2 423.903 3.754 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cnn1C ZINC000427758738 975272251 /nfs/dbraw/zinc/27/22/51/975272251.db2.gz LONFNUAPMVMHNN-UHFFFAOYSA-N 0 2 417.343 3.883 20 0 HHADLN COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccc3ccc(Cl)cc3n2)c1 ZINC000427773201 975280494 /nfs/dbraw/zinc/28/04/94/975280494.db2.gz YJSJTHAMPQVFNH-UHFFFAOYSA-N 0 2 420.874 3.622 20 0 HHADLN COCc1nc2cc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3F)ccc2o1 ZINC000427772646 975280514 /nfs/dbraw/zinc/28/05/14/975280514.db2.gz GCAUTPPRJBTNDM-UHFFFAOYSA-N 0 2 420.340 3.813 20 0 HHADLN O=S(=O)(Nc1ccc(-c2ncc[nH]2)cc1)c1cccc(OC(F)(F)F)c1F ZINC000427777858 975283075 /nfs/dbraw/zinc/28/30/75/975283075.db2.gz IATSDPLPNNTOPL-UHFFFAOYSA-N 0 2 401.341 3.915 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nnc(-c3ccccc3C)o2)c1 ZINC000427778656 975283100 /nfs/dbraw/zinc/28/31/00/975283100.db2.gz BUKVFVBMACHSPH-UHFFFAOYSA-N 0 2 421.862 3.676 20 0 HHADLN CC(C)(C)c1coc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)n1 ZINC000427778236 975283228 /nfs/dbraw/zinc/28/32/28/975283228.db2.gz IIKYHNMRHAKTPY-GFCCVEGCSA-N 0 2 414.911 3.842 20 0 HHADLN Cc1nc2ccc(S(=O)(=O)Nc3ncn(Cc4ccc(Cl)cc4)n3)cc2s1 ZINC000427791509 975291463 /nfs/dbraw/zinc/29/14/63/975291463.db2.gz DWMZNIKCIFCPEJ-UHFFFAOYSA-N 0 2 419.919 3.699 20 0 HHADLN CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000429500789 976756541 /nfs/dbraw/zinc/75/65/41/976756541.db2.gz GOQDTHNKSADEDN-NHCUHLMSSA-N 0 2 409.578 3.772 20 0 HHADLN CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000429500790 976756606 /nfs/dbraw/zinc/75/66/06/976756606.db2.gz GOQDTHNKSADEDN-RTWAWAEBSA-N 0 2 409.578 3.772 20 0 HHADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3cccc(Br)c3)o2)cc1F ZINC000430048421 977296282 /nfs/dbraw/zinc/29/62/82/977296282.db2.gz XNCMGWFVBPCHAZ-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN Cc1c(NS(=O)(=O)Cc2cc(Cl)ccc2F)nnn1Cc1ccccc1F ZINC000430080455 977310751 /nfs/dbraw/zinc/31/07/51/977310751.db2.gz BLNCQSXGCMIOPQ-UHFFFAOYSA-N 0 2 412.849 3.508 20 0 HHADLN COC(=O)[C@@H](CC(C)C)NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430403901 977525128 /nfs/dbraw/zinc/52/51/28/977525128.db2.gz HNTDXBVZFPODMB-HXUWFJFHSA-N 0 2 408.454 3.638 20 0 HHADLN COC(=O)[C@@H]1CCN(C(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)C[C@H]1C ZINC000430627543 977660069 /nfs/dbraw/zinc/66/00/69/977660069.db2.gz MGGFBGJDGYPQEE-CRAIPNDOSA-N 0 2 420.465 3.592 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000430900384 977867779 /nfs/dbraw/zinc/86/77/79/977867779.db2.gz NTDWGHQGLNFNLF-HZPDHXFCSA-N 0 2 409.465 3.658 20 0 HHADLN Cc1cc(C)c(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)s1 ZINC000431143920 978047109 /nfs/dbraw/zinc/04/71/09/978047109.db2.gz OUQCOMXWJDTUKE-UHFFFAOYSA-N 0 2 422.553 3.967 20 0 HHADLN Cc1cc(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)s1 ZINC000431185220 978083252 /nfs/dbraw/zinc/08/32/52/978083252.db2.gz YPNLZLGDUDYGLH-UHFFFAOYSA-N 0 2 416.590 3.551 20 0 HHADLN C[C@H]1Cc2cc(S(=O)(=O)Nc3nnc(-c4ccccc4Cl)s3)ccc2O1 ZINC000431329278 978213923 /nfs/dbraw/zinc/21/39/23/978213923.db2.gz BJMKDOKYWCMFNM-JTQLQIEISA-N 0 2 407.904 3.983 20 0 HHADLN CC(=O)c1ccc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000431332920 978217695 /nfs/dbraw/zinc/21/76/95/978217695.db2.gz OKVOVIVYTCSZAR-UHFFFAOYSA-N 0 2 405.526 3.834 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CC[C@@H](OCc4ccncc4)C3)=N2)cc1 ZINC000431444181 978301182 /nfs/dbraw/zinc/30/11/82/978301182.db2.gz HZKSNKUTFULARY-HXUWFJFHSA-N 0 2 406.486 3.528 20 0 HHADLN O=C(N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)c1cc2n(n1)CCCO2 ZINC000431808144 978529166 /nfs/dbraw/zinc/52/91/66/978529166.db2.gz ASSJDZPPLOFWRH-UHFFFAOYSA-N 0 2 419.466 3.651 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(C)cc2Br)n(Cc2ccccn2)n1 ZINC000432350953 978772271 /nfs/dbraw/zinc/77/22/71/978772271.db2.gz GYZFJNWFXUQQAG-UHFFFAOYSA-N 0 2 421.320 3.507 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)sc1C1CC1 ZINC000432365366 978779581 /nfs/dbraw/zinc/77/95/81/978779581.db2.gz SOWRJYHBUQNAGV-UHFFFAOYSA-N 0 2 404.872 3.709 20 0 HHADLN Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)Nc2nc(-c3ccccc3F)n[nH]2)s1 ZINC000432938483 979016620 /nfs/dbraw/zinc/01/66/20/979016620.db2.gz OIHRAMMNQXLHRW-HNNXBMFYSA-N 0 2 423.477 3.531 20 0 HHADLN Cn1nc(-c2ccc(F)cc2F)cc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000432955431 979023105 /nfs/dbraw/zinc/02/31/05/979023105.db2.gz MZJIIUVUFNVILW-UHFFFAOYSA-N 0 2 401.797 3.959 20 0 HHADLN CC(C)Cc1noc(-c2cc(Cl)ccc2NS(=O)(=O)c2cnc3n2CCC3)n1 ZINC000432957321 979023729 /nfs/dbraw/zinc/02/37/29/979023729.db2.gz YKVULWPGIDYZCR-UHFFFAOYSA-N 0 2 421.910 3.532 20 0 HHADLN O=S(=O)(Nc1noc(Cc2ccccc2)n1)c1ccc(C(F)(F)F)cc1F ZINC000432960595 979025080 /nfs/dbraw/zinc/02/50/80/979025080.db2.gz OKMIFSZVPDJFBU-UHFFFAOYSA-N 0 2 401.341 3.619 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2noc(Cc3ccccc3)n2)c(Br)c1 ZINC000432964343 979026771 /nfs/dbraw/zinc/02/67/71/979026771.db2.gz GFXLJRSMBVHQKV-UHFFFAOYSA-N 0 2 408.277 3.532 20 0 HHADLN CN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(-c3ccc(Cl)s3)cn2)c1 ZINC000433129942 979088828 /nfs/dbraw/zinc/08/88/28/979088828.db2.gz FWCNYKZDKNBBLJ-UHFFFAOYSA-N 0 2 421.931 3.966 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)cc1 ZINC000433141638 979095923 /nfs/dbraw/zinc/09/59/23/979095923.db2.gz PSPHRASXSURANY-UHFFFAOYSA-N 0 2 402.476 3.873 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000433220929 979155374 /nfs/dbraw/zinc/15/53/74/979155374.db2.gz RNOZGSCXUVPQCX-UHFFFAOYSA-N 0 2 419.391 3.999 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)c1C ZINC000433380478 979265487 /nfs/dbraw/zinc/26/54/87/979265487.db2.gz BZXQPALRAMUTRG-UHFFFAOYSA-N 0 2 419.528 3.656 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)sc1Br ZINC000433486023 979331571 /nfs/dbraw/zinc/33/15/71/979331571.db2.gz CCHISKDGXVGFGJ-CYBMUJFWSA-N 0 2 418.334 3.788 20 0 HHADLN COC(=O)COc1ccc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)cc1 ZINC000433506364 979343582 /nfs/dbraw/zinc/34/35/82/979343582.db2.gz GABSOYLJMSYDHI-UHFFFAOYSA-N 0 2 411.888 3.907 20 0 HHADLN O=S(=O)(Nc1cnn(CC(F)(F)F)c1)c1cc(Br)sc1Cl ZINC000433603089 979418430 /nfs/dbraw/zinc/41/84/30/979418430.db2.gz HGRPJDKVNLQPOW-UHFFFAOYSA-N 0 2 424.651 3.724 20 0 HHADLN O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cc(Br)sc1Cl ZINC000433610344 979423173 /nfs/dbraw/zinc/42/31/73/979423173.db2.gz PVHMKHXYWIXTBB-UHFFFAOYSA-N 0 2 410.698 3.736 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3C)cc2)nc(C)n1 ZINC000433706974 979503843 /nfs/dbraw/zinc/50/38/43/979503843.db2.gz KZZGVLRVLHPQJS-UHFFFAOYSA-N 0 2 414.462 3.594 20 0 HHADLN Cc1c(NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)noc1-c1ccccc1F ZINC000433900352 979661921 /nfs/dbraw/zinc/66/19/21/979661921.db2.gz GMGDLNUYKJQFGX-UHFFFAOYSA-N 0 2 413.434 4.163 20 0 HHADLN Cc1cn([C@H](C)c2ccccc2)nc1NC(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000434153605 979915201 /nfs/dbraw/zinc/91/52/01/979915201.db2.gz KQLPISOVHWUHJR-OAHLLOKOSA-N 0 2 404.499 4.385 20 0 HHADLN Cc1ccc([C@@]2(C)CCN(C(=O)NCc3nnc(COc4ccccc4)[nH]3)C2)cc1 ZINC000434375256 980121990 /nfs/dbraw/zinc/12/19/90/980121990.db2.gz UUVDJFGBOPMWKP-QHCPKHFHSA-N 0 2 405.502 3.565 20 0 HHADLN CCCOc1ccc(CNC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434672642 980332337 /nfs/dbraw/zinc/33/23/37/980332337.db2.gz ACYFQQJHZJRYFY-UHFFFAOYSA-N 0 2 410.562 3.504 20 0 HHADLN O=C1[C@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000434688827 980341564 /nfs/dbraw/zinc/34/15/64/980341564.db2.gz QBSDHCREIBHQNU-HXUWFJFHSA-N 0 2 416.928 3.997 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cc(-c3ccccc3C)n[nH]2)ccc1Br ZINC000434978318 980545320 /nfs/dbraw/zinc/54/53/20/980545320.db2.gz UXYIWPXQSXJKBA-UHFFFAOYSA-N 0 2 422.304 3.957 20 0 HHADLN O=C1C[C@@H](c2cccc(NS(=O)(=O)c3c(Cl)cccc3C(F)(F)F)c2)CN1 ZINC000435132729 980663831 /nfs/dbraw/zinc/66/38/31/980663831.db2.gz LBOIIODAUCRKEK-LLVKDONJSA-N 0 2 418.824 3.763 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccccc2Br)cnn1-c1ccccc1F ZINC000435140125 980671318 /nfs/dbraw/zinc/67/13/18/980671318.db2.gz RTNBSKUNOJWHQA-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN Cc1c[nH]c(=O)n1-c1ccccc1NS(=O)(=O)c1cccc(C)c1Br ZINC000435141038 980672871 /nfs/dbraw/zinc/67/28/71/980672871.db2.gz XCHBLKOBDVTLJE-UHFFFAOYSA-N 0 2 422.304 3.758 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc(F)c3ncccc23)cnn1-c1ccccc1F ZINC000435143058 980675274 /nfs/dbraw/zinc/67/52/74/980675274.db2.gz ZJVBKOCBLSVPGE-UHFFFAOYSA-N 0 2 400.410 3.808 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2OC)c(Cl)c1Cl ZINC000435146903 980678345 /nfs/dbraw/zinc/67/83/45/980678345.db2.gz RCUIVXSQPONENA-UHFFFAOYSA-N 0 2 419.286 3.770 20 0 HHADLN O=S(=O)(Nc1ccc(Cn2cncn2)cc1)c1c(Cl)cc(F)cc1Cl ZINC000435503211 980906406 /nfs/dbraw/zinc/90/64/06/980906406.db2.gz VGVGEYQALIDBPD-UHFFFAOYSA-N 0 2 401.250 3.573 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cn1)C1CC1 ZINC000435719635 981001397 /nfs/dbraw/zinc/00/13/97/981001397.db2.gz OQWWQACFQXSWKG-UHFFFAOYSA-N 0 2 404.250 3.677 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2cnn(C3CCCC3)c2C)c1 ZINC000435735767 981009180 /nfs/dbraw/zinc/00/91/80/981009180.db2.gz PXQILWVYKAIAKC-UHFFFAOYSA-N 0 2 414.325 3.879 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1c[nH]nc1-c1cc2ccccc2o1 ZINC000435874994 981072528 /nfs/dbraw/zinc/07/25/28/981072528.db2.gz AIGYRFHOBFIPKX-UHFFFAOYSA-N 0 2 405.439 3.805 20 0 HHADLN CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c(C)c1 ZINC000436016173 981156711 /nfs/dbraw/zinc/15/67/11/981156711.db2.gz JPPFQUFMMIGBGG-UHFFFAOYSA-N 0 2 404.385 3.703 20 0 HHADLN CN(C)C(=O)Nc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000436024649 981163647 /nfs/dbraw/zinc/16/36/47/981163647.db2.gz FGGWZDVXHYIXCY-UHFFFAOYSA-N 0 2 405.373 3.739 20 0 HHADLN Cc1ccnc(Oc2ccc(NS(=O)(=O)c3cnc(-c4ccccc4)nc3)cc2)n1 ZINC000436029822 981167625 /nfs/dbraw/zinc/16/76/25/981167625.db2.gz SUKGQEJHIWHCCN-UHFFFAOYSA-N 0 2 419.466 3.835 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cnn(C)c2C(F)(F)F)c(C)cc1Br ZINC000436170201 981232327 /nfs/dbraw/zinc/23/23/27/981232327.db2.gz JGNGUHWTBHPMPI-UHFFFAOYSA-N 0 2 412.231 3.619 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)c1F ZINC000436175894 981235360 /nfs/dbraw/zinc/23/53/60/981235360.db2.gz BUBVZMJEEOSJBA-UHFFFAOYSA-N 0 2 416.396 3.776 20 0 HHADLN CN(CC(=O)Nc1cccc(Cl)c1)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000436468490 981390243 /nfs/dbraw/zinc/39/02/43/981390243.db2.gz HRSBMOHRQSKCEM-UHFFFAOYSA-N 0 2 419.268 3.595 20 0 HHADLN O=S(=O)(Nc1ccc(-c2nncs2)cc1)c1ccc(Br)cc1F ZINC000436477420 981393643 /nfs/dbraw/zinc/39/36/43/981393643.db2.gz LRWVMNLMJRVXCM-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)cc1 ZINC000436479134 981394697 /nfs/dbraw/zinc/39/46/97/981394697.db2.gz PFXYHRLAAJBKTR-UHFFFAOYSA-N 0 2 416.421 3.694 20 0 HHADLN CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CC1 ZINC000436498891 981402712 /nfs/dbraw/zinc/40/27/12/981402712.db2.gz XVDFLQIOZBTQHP-MRXNPFEDSA-N 0 2 407.919 3.752 20 0 HHADLN CCc1cnc(NC(=O)NCC[C@@H]2C(=O)N(Cc3ccccc3C)N=C2CC)s1 ZINC000436520673 981414385 /nfs/dbraw/zinc/41/43/85/981414385.db2.gz XBXGXLRSLSKZOO-KRWDZBQOSA-N 0 2 413.547 3.950 20 0 HHADLN CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436523649 981416637 /nfs/dbraw/zinc/41/66/37/981416637.db2.gz UYOOXWLULBPYKM-UHFFFAOYSA-N 0 2 415.440 3.998 20 0 HHADLN CCOC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)cc(Cl)c1O)C1CCOCC1 ZINC000436524297 981417441 /nfs/dbraw/zinc/41/74/41/981417441.db2.gz GIYRWBGSMHDWOT-LJQANCHMSA-N 0 2 417.889 3.801 20 0 HHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000436526618 981419448 /nfs/dbraw/zinc/41/94/48/981419448.db2.gz AQALXLHDCUCXKF-KRWDZBQOSA-N 0 2 406.816 3.912 20 0 HHADLN O=C(NCc1cccc(NC(=O)c2cccc(F)c2)c1)c1cc(F)c(O)c(F)c1 ZINC000436535778 981426589 /nfs/dbraw/zinc/42/65/89/981426589.db2.gz OJFYKHYEKIPGRS-UHFFFAOYSA-N 0 2 400.356 3.992 20 0 HHADLN O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1cc(F)c(O)c(F)c1 ZINC000436535862 981426873 /nfs/dbraw/zinc/42/68/73/981426873.db2.gz UEWGEPIEFFXYCM-UHFFFAOYSA-N 0 2 404.394 3.724 20 0 HHADLN O=C(c1cc(F)c(O)c(F)c1)N1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000436563027 981446396 /nfs/dbraw/zinc/44/63/96/981446396.db2.gz MAQWOALXHGYUJG-IVZQSRNASA-N 0 2 411.408 3.914 20 0 HHADLN O=C(c1cc(-c2ccccc2)cc(Cl)c1O)N1CCC(N2CCCNC2=O)CC1 ZINC000436599319 981467481 /nfs/dbraw/zinc/46/74/81/981467481.db2.gz ANIZBWDOWKZQQM-UHFFFAOYSA-N 0 2 413.905 3.733 20 0 HHADLN CC1(C)CN(C(=O)c2cc(Cl)cc(Br)c2O)C[C@]2(CCCOC2)O1 ZINC000436609053 981472141 /nfs/dbraw/zinc/47/21/41/981472141.db2.gz VHWGVPDAVPRAGP-KRWDZBQOSA-N 0 2 418.715 3.608 20 0 HHADLN C[C@H](N1CCN(C(=O)c2cc(Cl)cc(Br)c2O)CC1)C(F)(F)F ZINC000436641968 981489568 /nfs/dbraw/zinc/48/95/68/981489568.db2.gz YGAXAQOZFRRTKW-QMMMGPOBSA-N 0 2 415.637 3.517 20 0 HHADLN CC(C)n1ncc2c1C[C@H](NC(=O)c1cc(Cl)cc(Br)c1O)CC2 ZINC000436666354 981500550 /nfs/dbraw/zinc/50/05/50/981500550.db2.gz SNJOBDMMTAONHY-GFCCVEGCSA-N 0 2 412.715 3.873 20 0 HHADLN COC(=O)CC1(CNC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CCOCC1 ZINC000436702504 981521492 /nfs/dbraw/zinc/52/14/92/981521492.db2.gz CZZFUOGGXIMIQV-UHFFFAOYSA-N 0 2 417.889 3.802 20 0 HHADLN CS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)C1 ZINC000436702732 981521498 /nfs/dbraw/zinc/52/14/98/981521498.db2.gz JFSOYCGIWAYNRX-CQSZACIVSA-N 0 2 407.919 3.609 20 0 HHADLN COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc(F)cc(Cl)c1O ZINC000436714024 981526982 /nfs/dbraw/zinc/52/69/82/981526982.db2.gz SIYSRUXZDLQKLC-UHFFFAOYSA-N 0 2 401.221 3.557 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCCN(c2ccccc2F)CC1 ZINC000436728615 981534894 /nfs/dbraw/zinc/53/48/94/981534894.db2.gz MOCQXQZWSXRXST-UHFFFAOYSA-N 0 2 411.246 3.785 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCOc2ccc(Br)cc2C1 ZINC000436745491 981541990 /nfs/dbraw/zinc/54/19/90/981541990.db2.gz VALIKMUNORIBCE-UHFFFAOYSA-N 0 2 400.631 3.982 20 0 HHADLN CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cc(F)cc(Cl)c1O ZINC000436790330 981562628 /nfs/dbraw/zinc/56/26/28/981562628.db2.gz NXJFTKPXVAPHDP-LBPRGKRZSA-N 0 2 421.774 3.715 20 0 HHADLN COCCN(Cc1cc(Br)cs1)C(=O)c1cc(F)c(O)c(F)c1 ZINC000436816001 981573958 /nfs/dbraw/zinc/57/39/58/981573958.db2.gz RIVBPAWLMOWDEA-UHFFFAOYSA-N 0 2 406.248 3.783 20 0 HHADLN CCN(CC)C(=O)Cc1ccc(NC(=O)c2cc(F)cc(Br)c2O)cc1 ZINC000436849654 981589420 /nfs/dbraw/zinc/58/94/20/981589420.db2.gz UGWXAYQOZPZJOE-UHFFFAOYSA-N 0 2 423.282 3.957 20 0 HHADLN CN(Cc1nccn1Cc1ccccc1)C(=O)c1cc(F)cc(Br)c1O ZINC000436852868 981592314 /nfs/dbraw/zinc/59/23/14/981592314.db2.gz PTPFEAQJQWELPE-UHFFFAOYSA-N 0 2 418.266 3.811 20 0 HHADLN COc1ccc2c(c1OC)CCN(C(=O)c1cc(F)cc(Br)c1O)C2 ZINC000436855273 981593618 /nfs/dbraw/zinc/59/36/18/981593618.db2.gz VGIDTBUWGFRLTI-UHFFFAOYSA-N 0 2 410.239 3.510 20 0 HHADLN Cc1ccc(NC(=O)CNC(=O)c2cc(F)cc(Br)c2O)c(Cl)c1 ZINC000436857562 981594852 /nfs/dbraw/zinc/59/48/52/981594852.db2.gz LCEGTQZOHLKHLE-UHFFFAOYSA-N 0 2 415.646 3.624 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N(Cc1ccncc1)Cc1cccnc1 ZINC000436889087 981602562 /nfs/dbraw/zinc/60/25/62/981602562.db2.gz AUYBQWQITNCEAI-UHFFFAOYSA-N 0 2 416.250 3.926 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000436912847 981618521 /nfs/dbraw/zinc/61/85/21/981618521.db2.gz UKULJFDVRFVIBS-JVXZTZIISA-N 0 2 416.621 3.584 20 0 HHADLN Cc1ccc([C@H](C)c2noc(-c3cc(S(=O)(=O)N4CCCC4)ccc3O)n2)cc1 ZINC000436934885 981632730 /nfs/dbraw/zinc/63/27/30/981632730.db2.gz UPQPLUDAZJLADJ-HNNXBMFYSA-N 0 2 413.499 3.687 20 0 HHADLN CCC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc(F)c(O)c(F)c2)c1 ZINC000436964361 981652114 /nfs/dbraw/zinc/65/21/14/981652114.db2.gz GIQZEHORVZMSIS-GFCCVEGCSA-N 0 2 412.458 3.531 20 0 HHADLN CCN1CC[C@@H](NC(=O)c2cc(F)c(O)c(F)c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000436970492 981656365 /nfs/dbraw/zinc/65/63/65/981656365.db2.gz LZEMQCRUVHUANS-WBVHZDCISA-N 0 2 400.347 3.653 20 0 HHADLN C[N@@H+]1CCO[C@H]([C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000436979366 981663654 /nfs/dbraw/zinc/66/36/54/981663654.db2.gz KPTNMWLIROJNJJ-IRXDYDNUSA-N 0 2 413.276 3.640 20 0 HHADLN C[N@H+]1CCO[C@H]([C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000436979366 981663658 /nfs/dbraw/zinc/66/36/58/981663658.db2.gz KPTNMWLIROJNJJ-IRXDYDNUSA-N 0 2 413.276 3.640 20 0 HHADLN CO[C@@H]1CCOc2c(NC(=O)C(=O)Nc3cc(Cl)c(O)c(Cl)c3)cccc21 ZINC000448289167 981676525 /nfs/dbraw/zinc/67/65/25/981676525.db2.gz IYVLYQKUEPBJPF-CQSZACIVSA-N 0 2 411.241 3.746 20 0 HHADLN CCC[C@H](C)c1cc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)n[nH]1 ZINC000448415955 981766230 /nfs/dbraw/zinc/76/62/30/981766230.db2.gz IITULEDTGGTXRJ-LBPRGKRZSA-N 0 2 419.532 3.823 20 0 HHADLN Cc1cnc2c(cccc2S(=O)(=O)Nc2nnc(Cc3ccccc3F)s2)c1 ZINC000437162663 981812475 /nfs/dbraw/zinc/81/24/75/981812475.db2.gz BZLBMRHHSCEGJU-UHFFFAOYSA-N 0 2 414.487 3.925 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2F)s1)c1cc(F)ccc1Cl ZINC000437162863 981812984 /nfs/dbraw/zinc/81/29/84/981812984.db2.gz DETUEWAZDOOAKZ-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(Cl)c2)s1)c1cc(F)cc(F)c1 ZINC000437175151 981830677 /nfs/dbraw/zinc/83/06/77/981830677.db2.gz DTHMNPGRSQKPAE-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN O=S(=O)(Nc1nnc(CC2CCCCC2)s1)c1ccc2c(c1)OCCCO2 ZINC000437191936 981849031 /nfs/dbraw/zinc/84/90/31/981849031.db2.gz WMWMVXPOFXIEFC-UHFFFAOYSA-N 0 2 409.533 3.623 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)cn1)c1ccccc1 ZINC000437325890 981977147 /nfs/dbraw/zinc/97/71/47/981977147.db2.gz POIYUCLKDFIUSL-UHFFFAOYSA-N 0 2 405.838 3.927 20 0 HHADLN O=S(=O)(Nc1nc2cc(F)c(F)cc2s1)c1cnn(-c2ccccc2F)c1 ZINC000437331249 981982476 /nfs/dbraw/zinc/98/24/76/981982476.db2.gz HSZHUZDQEUUQEQ-UHFFFAOYSA-N 0 2 410.402 3.700 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ncc(C(C)C)s2)c(F)c1Cl ZINC000437336499 981987589 /nfs/dbraw/zinc/98/75/89/981987589.db2.gz HDTRHTMHSRBIBS-UHFFFAOYSA-N 0 2 409.867 3.957 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)cc1 ZINC000437339731 981990096 /nfs/dbraw/zinc/99/00/96/981990096.db2.gz UEDGYVFVBMQUNX-UHFFFAOYSA-N 0 2 401.513 3.517 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C(C)(C)C)c1C ZINC000437340242 981990996 /nfs/dbraw/zinc/99/09/96/981990996.db2.gz KBTDIVDWVKNYMJ-UHFFFAOYSA-N 0 2 401.536 3.939 20 0 HHADLN COC(=O)c1cc(C)nc2nc(NS(=O)(=O)c3cccc(C(C)C)c3)sc21 ZINC000437398606 982042893 /nfs/dbraw/zinc/04/28/93/982042893.db2.gz UBRWBOWGMUERGR-UHFFFAOYSA-N 0 2 405.501 3.711 20 0 HHADLN Cc1nn(C)c(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1C ZINC000437398963 982043980 /nfs/dbraw/zinc/04/39/80/982043980.db2.gz ZFSGMDWGJABRPW-UHFFFAOYSA-N 0 2 412.231 3.619 20 0 HHADLN CC(C)COc1ccc(NC(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)cc1Cl ZINC000437430095 982069160 /nfs/dbraw/zinc/06/91/60/982069160.db2.gz HHFIIDIQOGHDJW-UHFFFAOYSA-N 0 2 410.927 3.523 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccccc2-n2cccn2)cnn1-c1ccc(Cl)cc1 ZINC000460452976 982247109 /nfs/dbraw/zinc/24/71/09/982247109.db2.gz RUPWVQGYTGIDBW-UHFFFAOYSA-N 0 2 413.890 3.821 20 0 HHADLN O=S(=O)(Nc1cnc2c(Br)cccn12)c1cccc(C(F)(F)F)c1 ZINC000460645686 982419082 /nfs/dbraw/zinc/41/90/82/982419082.db2.gz AISWCCRQNUCYJS-UHFFFAOYSA-N 0 2 420.210 3.916 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cnc3n2CCC3)sc1Cc1cccc(Cl)c1 ZINC000437937710 982473055 /nfs/dbraw/zinc/47/30/55/982473055.db2.gz WMWGSBWOKMBUMO-UHFFFAOYSA-N 0 2 408.936 3.639 20 0 HHADLN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)N=c2nc(C(C)(C)C)[nH]s2)cc1 ZINC000437979599 982503183 /nfs/dbraw/zinc/50/31/83/982503183.db2.gz RFYGHZYHEJXHOF-KRWDZBQOSA-N 0 2 402.564 3.822 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000438318642 982720715 /nfs/dbraw/zinc/72/07/15/982720715.db2.gz UMOUEEZGCSFWAU-WMLDXEAASA-N 0 2 415.856 3.532 20 0 HHADLN O=S(=O)(Nc1c[nH]nc1-c1ccccn1)c1ccc(OCc2ccccc2)cc1 ZINC000438387220 982758712 /nfs/dbraw/zinc/75/87/12/982758712.db2.gz VJHXKZVVJHTHPG-UHFFFAOYSA-N 0 2 406.467 3.852 20 0 HHADLN O=S(=O)(Nc1nnc([C@@H]2Cc3ccccc3O2)o1)c1ccc(C(F)(F)F)s1 ZINC000461109319 982798801 /nfs/dbraw/zinc/79/88/01/982798801.db2.gz BITRLCURXYIOCM-JTQLQIEISA-N 0 2 417.390 3.627 20 0 HHADLN COCCCCc1cccnc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000461206362 982920274 /nfs/dbraw/zinc/92/02/74/982920274.db2.gz DWYWUJTVBZCJLE-UHFFFAOYSA-N 0 2 417.300 3.753 20 0 HHADLN COCCOc1ccc(F)cc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000438767892 983058544 /nfs/dbraw/zinc/05/85/44/983058544.db2.gz BREMHLAFGAPBJK-UHFFFAOYSA-N 0 2 422.247 3.553 20 0 HHADLN CC(C)(C)c1nc2ccc(S(=O)(=O)Nc3cnn(CC(F)F)c3)cc2s1 ZINC000438770821 983060489 /nfs/dbraw/zinc/06/04/89/983060489.db2.gz LGJBNZUBUHXHDG-UHFFFAOYSA-N 0 2 400.476 3.856 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cc3oc4ccccc4c3cc2OC)c[nH]1 ZINC000438793071 983074456 /nfs/dbraw/zinc/07/44/56/983074456.db2.gz RDQDVMRJLZGARM-UHFFFAOYSA-N 0 2 400.412 3.510 20 0 HHADLN CC[C@H](C)Oc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3OC)c2)cc1 ZINC000438794198 983074781 /nfs/dbraw/zinc/07/47/81/983074781.db2.gz RLDGMCZXNYPZGE-HNNXBMFYSA-N 0 2 401.488 3.859 20 0 HHADLN Cn1nc(CC(C)(C)C)cc1NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000438807705 983083549 /nfs/dbraw/zinc/08/35/49/983083549.db2.gz RCMWTCAVRSQHIY-UHFFFAOYSA-N 0 2 404.305 3.711 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(OC)ccc2O)c(OCc2ccccc2)c1 ZINC000438820000 983093894 /nfs/dbraw/zinc/09/38/94/983093894.db2.gz OMVHYLKDHJDYTI-UHFFFAOYSA-N 0 2 415.467 3.789 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2Cc3ccc(OC)cc3C3(CC3)C2)=N1 ZINC000461444188 983109278 /nfs/dbraw/zinc/10/92/78/983109278.db2.gz ARKNTHQGHYZCJK-UHFFFAOYSA-N 0 2 403.482 3.837 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)=N1 ZINC000438903960 983145371 /nfs/dbraw/zinc/14/53/71/983145371.db2.gz KTVCGDPDCDPBJN-UHFFFAOYSA-N 0 2 413.481 3.946 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)=N1 ZINC000438904638 983145454 /nfs/dbraw/zinc/14/54/54/983145454.db2.gz VAOTUVMSKBOGKQ-UHFFFAOYSA-N 0 2 418.497 3.631 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1c[nH]cc1-c1ccc2c(c1)OCCO2 ZINC000439038318 983223053 /nfs/dbraw/zinc/22/30/53/983223053.db2.gz JBONDJAADBYXMV-UHFFFAOYSA-N 0 2 404.451 3.646 20 0 HHADLN CCO[C@@H](C)c1noc(CN(C)C(=O)c2cc(Cl)cc(Br)c2O)n1 ZINC000439118919 983259035 /nfs/dbraw/zinc/25/90/35/983259035.db2.gz XXUJSLSLVZUTCD-QMMMGPOBSA-N 0 2 418.675 3.561 20 0 HHADLN CO[C@@H](C)c1nc(CNC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)cs1 ZINC000439143934 983270963 /nfs/dbraw/zinc/27/09/63/983270963.db2.gz VQQZFGSJOKYGOI-ZDUSSCGKSA-N 0 2 400.504 3.795 20 0 HHADLN C[C@H]1CCCC[C@H]1OCC(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439245420 983329317 /nfs/dbraw/zinc/32/93/17/983329317.db2.gz KEPWDHYKVXZMNF-IINYFYTJSA-N 0 2 411.275 3.907 20 0 HHADLN O=C(CCOCc1ccccc1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439245486 983329355 /nfs/dbraw/zinc/32/93/55/983329355.db2.gz ASLYJEDNZLLQNG-UHFFFAOYSA-N 0 2 419.254 3.919 20 0 HHADLN C[C@H](Oc1ccccc1F)C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439251888 983332695 /nfs/dbraw/zinc/33/26/95/983332695.db2.gz XYZBKXFKUOTEQU-VIFPVBQESA-N 0 2 423.217 3.918 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N(Cc2ccccc2Cl)C2CCCC2)s[nH]1 ZINC000439625283 983475664 /nfs/dbraw/zinc/47/56/64/983475664.db2.gz YXKWTUWCBOBPNT-UHFFFAOYSA-N 0 2 420.966 3.821 20 0 HHADLN CS(=O)(=O)Cc1ccccc1NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440279004 983705356 /nfs/dbraw/zinc/70/53/56/983705356.db2.gz SFMOILJFCIYMFB-UHFFFAOYSA-N 0 2 409.916 3.839 20 0 HHADLN CCc1nc(NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)sc1C(=O)OC ZINC000441359330 984207104 /nfs/dbraw/zinc/20/71/04/984207104.db2.gz RASOJAPKXOIKSB-UHFFFAOYSA-N 0 2 408.423 3.620 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)cc1Cl ZINC000441377261 984218665 /nfs/dbraw/zinc/21/86/65/984218665.db2.gz AQTIEPMGSOEGQE-UHFFFAOYSA-N 0 2 422.915 3.975 20 0 HHADLN C[C@@H](N(Cc1ccccc1)C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)C(C)(C)C ZINC000441402756 984233159 /nfs/dbraw/zinc/23/31/59/984233159.db2.gz JSVJVBHUTMFKQN-CQSZACIVSA-N 0 2 402.564 3.659 20 0 HHADLN C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000441406825 984235360 /nfs/dbraw/zinc/23/53/60/984235360.db2.gz RRBZLDWXMOTCRL-NWDGAFQWSA-N 0 2 408.955 3.500 20 0 HHADLN C[C@H](CCC(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1ccccc1 ZINC000441816126 984472783 /nfs/dbraw/zinc/47/27/83/984472783.db2.gz YNLVVEILMVDCQJ-CQSZACIVSA-N 0 2 416.528 3.861 20 0 HHADLN O=C1Nc2ccc(S(=O)(=O)Nc3nnc(-c4ccccc4)s3)c3cccc1c23 ZINC000442108799 984640203 /nfs/dbraw/zinc/64/02/03/984640203.db2.gz KLAQEPSNWWDTIN-UHFFFAOYSA-N 0 2 408.464 3.725 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1cc(F)cc(NCC(F)(F)F)c1 ZINC000442236092 984756776 /nfs/dbraw/zinc/75/67/76/984756776.db2.gz JSIMCGKXAXYACF-UHFFFAOYSA-N 0 2 420.384 3.777 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1 ZINC000442362194 984868410 /nfs/dbraw/zinc/86/84/10/984868410.db2.gz WBHKDVDOOPGTJU-MRXNPFEDSA-N 0 2 419.499 3.530 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)Cc2cccs2)c(F)c1Cl ZINC000462162801 985138304 /nfs/dbraw/zinc/13/83/04/985138304.db2.gz GLMNMHYLHIMJDI-QMMMGPOBSA-N 0 2 408.879 3.548 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3csc(C)n3)cc2)c(OC)c1 ZINC000442819267 985226990 /nfs/dbraw/zinc/22/69/90/985226990.db2.gz JYWWLCQXAIRVKU-UHFFFAOYSA-N 0 2 418.496 3.715 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3csc(C)n3)c2)c(OC)c1 ZINC000442820797 985227748 /nfs/dbraw/zinc/22/77/48/985227748.db2.gz TZJQMCJHIIBIPV-UHFFFAOYSA-N 0 2 418.496 3.715 20 0 HHADLN CC(C)(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)F)cc1 ZINC000442832148 985234287 /nfs/dbraw/zinc/23/42/87/985234287.db2.gz CTMONRIDLZDRDS-UHFFFAOYSA-N 0 2 419.471 3.661 20 0 HHADLN CC[C@]1(C)Oc2ccc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)cc2O1 ZINC000442840458 985239388 /nfs/dbraw/zinc/23/93/88/985239388.db2.gz DOBNSHDXKSUMIE-LJQANCHMSA-N 0 2 403.435 3.710 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CCCc3occc32)c(F)c1Cl ZINC000462460778 985421546 /nfs/dbraw/zinc/42/15/46/985421546.db2.gz UOGZTSHQOYRQKY-NSHDSACASA-N 0 2 404.822 3.526 20 0 HHADLN CC[C@]1(C)Oc2ccc(NC(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)cc2O1 ZINC000443354947 985518314 /nfs/dbraw/zinc/51/83/14/985518314.db2.gz JUWNJNPOPFHAOH-LJQANCHMSA-N 0 2 400.460 3.958 20 0 HHADLN O=S(=O)(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cnn(-c2ccccc2)c1 ZINC000443414468 985569941 /nfs/dbraw/zinc/56/99/41/985569941.db2.gz IPYZFQXKFOSSER-UHFFFAOYSA-N 0 2 415.368 3.753 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)cc1 ZINC000443423931 985580832 /nfs/dbraw/zinc/58/08/32/985580832.db2.gz SUIQMCNAXUUHPR-UHFFFAOYSA-N 0 2 424.526 3.608 20 0 HHADLN CC(C)(C)c1ncc(NS(=O)(=O)c2ccc(Br)c(Cl)c2)cn1 ZINC000443462826 985636464 /nfs/dbraw/zinc/63/64/64/985636464.db2.gz RSAQAJMFPYHUND-UHFFFAOYSA-N 0 2 404.717 3.991 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCCC(F)(F)C3)cc2)nc(C)n1 ZINC000443465489 985640151 /nfs/dbraw/zinc/64/01/51/985640151.db2.gz HSHJSJMSKAKWLR-AWEZNQCLSA-N 0 2 424.473 3.658 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)cn1 ZINC000443565474 985740008 /nfs/dbraw/zinc/74/00/08/985740008.db2.gz HCFLGZXNKLPWAG-UHFFFAOYSA-N 0 2 421.398 3.913 20 0 HHADLN Cc1cccc(C2(C(=O)Nc3cccc(S(=O)(=O)Nc4nccs4)c3)CC2)c1 ZINC000443578192 985752901 /nfs/dbraw/zinc/75/29/01/985752901.db2.gz NPBZKZGCODTYPG-UHFFFAOYSA-N 0 2 413.524 3.923 20 0 HHADLN C[C@H](Cc1cccc(F)c1)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443585909 985760721 /nfs/dbraw/zinc/76/07/21/985760721.db2.gz YEBPGSITXZEVKX-CYBMUJFWSA-N 0 2 419.503 3.900 20 0 HHADLN CC(C)Cc1nc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cs1 ZINC000443587036 985763673 /nfs/dbraw/zinc/76/36/73/985763673.db2.gz ZSXMQUGALSRRHU-UHFFFAOYSA-N 0 2 422.557 3.851 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(C(=O)C(C)(C)C)cc1 ZINC000468345390 986042052 /nfs/dbraw/zinc/04/20/52/986042052.db2.gz FDZRZZLMJKRABC-UHFFFAOYSA-N 0 2 409.479 3.881 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccccc1CC(F)(F)F ZINC000468347737 986044406 /nfs/dbraw/zinc/04/44/06/986044406.db2.gz JXTMDBYJIUTBJT-UHFFFAOYSA-N 0 2 407.385 3.757 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3c(C)cccc3C)cc2)nc(C)n1 ZINC000443853617 986056748 /nfs/dbraw/zinc/05/67/48/986056748.db2.gz SPRDAIIMUMVWRY-UHFFFAOYSA-N 0 2 410.499 3.763 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC[C@@H](c4nncn4C4CC4)C3)=N2)cc1 ZINC000443860591 986063393 /nfs/dbraw/zinc/06/33/93/986063393.db2.gz ILSYFRSSQXOMPM-QGZVFWFLSA-N 0 2 420.517 3.648 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000468364972 986063469 /nfs/dbraw/zinc/06/34/69/986063469.db2.gz PUNVIYHCGZIOHV-UHFFFAOYSA-N 0 2 401.843 3.508 20 0 HHADLN O=C(COc1ccccc1)N1CCC[C@@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 ZINC000463106447 986066776 /nfs/dbraw/zinc/06/67/76/986066776.db2.gz ACKFRYZIUSMIGY-CYBMUJFWSA-N 0 2 423.296 3.955 20 0 HHADLN O=C(COc1ccccc1)N1CCC[C@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 ZINC000463106448 986067363 /nfs/dbraw/zinc/06/73/63/986067363.db2.gz ACKFRYZIUSMIGY-ZDUSSCGKSA-N 0 2 423.296 3.955 20 0 HHADLN O=C(CNC(=O)c1ccccc1OC(F)F)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000463111293 986073740 /nfs/dbraw/zinc/07/37/40/986073740.db2.gz WSFQGYRIKUMLML-UHFFFAOYSA-N 0 2 405.184 3.669 20 0 HHADLN COCCCOc1ccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cn1 ZINC000463172117 986144248 /nfs/dbraw/zinc/14/42/48/986144248.db2.gz QAHADWFYDVFHRG-UHFFFAOYSA-N 0 2 422.272 3.841 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccccc2SC)nc1C(C)C ZINC000444055431 986256117 /nfs/dbraw/zinc/25/61/17/986256117.db2.gz HHFMDGUHNDJPNZ-UHFFFAOYSA-N 0 2 400.547 3.966 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccco2)o1)c1ccc(OCC(F)F)c2ccccc21 ZINC000444064309 986266847 /nfs/dbraw/zinc/26/68/47/986266847.db2.gz VRKVVIPTHZRJTN-UHFFFAOYSA-N 0 2 421.381 3.928 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)o2)c(C)o1 ZINC000444065795 986268539 /nfs/dbraw/zinc/26/85/39/986268539.db2.gz OZZOFKQOVTUZPH-UHFFFAOYSA-N 0 2 405.329 3.905 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H](c2ccccc2)c2cccnc2)=N1 ZINC000468696649 986409396 /nfs/dbraw/zinc/40/93/96/986409396.db2.gz XVKGPXGTKWDLFR-NRFANRHFSA-N 0 2 402.429 3.940 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)=N1 ZINC000468700750 986413859 /nfs/dbraw/zinc/41/38/59/986413859.db2.gz VHKHHGFJIUXXOP-LJQANCHMSA-N 0 2 417.387 3.517 20 0 HHADLN COc1ccc(CNC(=O)C2=NN(c3ccc(F)cc3C)CC2=O)cc1OC(F)F ZINC000468736514 986450203 /nfs/dbraw/zinc/45/02/03/986450203.db2.gz GKRKPOMZCBDDJT-UHFFFAOYSA-N 0 2 421.375 3.565 20 0 HHADLN CCSc1nnc(NS(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)s1 ZINC000468884751 986592251 /nfs/dbraw/zinc/59/22/51/986592251.db2.gz IIBAQHLBYABENZ-SECBINFHSA-N 0 2 423.969 3.518 20 0 HHADLN Cc1ccc(-c2cnc(NS(=O)(=O)c3ccc4c(c3)OCCO4)s2)c(C)c1 ZINC000468914945 986622062 /nfs/dbraw/zinc/62/20/62/986622062.db2.gz LLKIMNAAUVMDBX-UHFFFAOYSA-N 0 2 402.497 3.999 20 0 HHADLN Cc1ccc(-c2cnc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)s2)c(C)c1 ZINC000468967247 986670919 /nfs/dbraw/zinc/67/09/19/986670919.db2.gz PIZRPQXJMSOJFD-UHFFFAOYSA-N 0 2 415.540 3.930 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)=N1 ZINC000469049354 986760094 /nfs/dbraw/zinc/76/00/94/986760094.db2.gz QIPOYJPOCFKOFX-HXUWFJFHSA-N 0 2 423.488 3.889 20 0 HHADLN COc1cc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)ccc1F ZINC000469115353 986831094 /nfs/dbraw/zinc/83/10/94/986831094.db2.gz ZSLWVCSXNFUUDM-UHFFFAOYSA-N 0 2 413.883 3.731 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CC(=O)N(C)Cc4ccccc4)nc(=O)c3s2)cc1 ZINC000469131685 986851466 /nfs/dbraw/zinc/85/14/66/986851466.db2.gz XGGXTMPAXNNYFW-UHFFFAOYSA-N 0 2 419.506 3.861 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N(C)Cc2nccs2)cc1 ZINC000470260698 988208086 /nfs/dbraw/zinc/20/80/86/988208086.db2.gz GOLMMVNSZMISDQ-UHFFFAOYSA-N 0 2 407.542 3.586 20 0 HHADLN O=S(=O)(c1c(F)cccc1Cl)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000464214030 988331213 /nfs/dbraw/zinc/33/12/13/988331213.db2.gz YKZDIJTYFQHCPB-HNNXBMFYSA-N 0 2 406.870 3.790 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CC[C@@H](C(F)(F)F)C3(C)C)s[nH]2)c1 ZINC000470420809 988384314 /nfs/dbraw/zinc/38/43/14/988384314.db2.gz ZENPIPKSMVSIBF-GFCCVEGCSA-N 0 2 400.426 3.830 20 0 HHADLN CSc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)ns2)cc1Cl ZINC000464428705 988600441 /nfs/dbraw/zinc/60/04/41/988600441.db2.gz NMARHIMCCZQWAC-UHFFFAOYSA-N 0 2 403.963 3.865 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)NCc2nnc(-c3ccccc3)s2)=N1 ZINC000470973471 989036942 /nfs/dbraw/zinc/03/69/42/989036942.db2.gz DQKMNOPYGNZIOZ-UHFFFAOYSA-N 0 2 405.483 3.589 20 0 HHADLN Cc1nn(C)c(Oc2cccnc2)c1NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000471126388 989233300 /nfs/dbraw/zinc/23/33/00/989233300.db2.gz YBUOENRCFDDODE-UHFFFAOYSA-N 0 2 410.858 3.818 20 0 HHADLN Cc1cn(-c2c(F)cccc2F)nc1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000471305707 989467520 /nfs/dbraw/zinc/46/75/20/989467520.db2.gz FIEILPHXAVEYCX-UHFFFAOYSA-N 0 2 416.338 3.775 20 0 HHADLN COc1cccc(-c2nc(C(=O)Nc3nnc(Cc4ccc(C)cc4)s3)no2)c1 ZINC000471458910 989646130 /nfs/dbraw/zinc/64/61/30/989646130.db2.gz MYUWNNVTKBAGNQ-UHFFFAOYSA-N 0 2 407.455 3.748 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2ccc(OC)c(OC)c2)s1)c1ccccc1 ZINC000471510315 989708700 /nfs/dbraw/zinc/70/87/00/989708700.db2.gz JWYBBFQQDBQLFP-HNNXBMFYSA-N 0 2 419.528 3.898 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2ccc3c(c2)N(C)CC3)s1)c1ccccc1 ZINC000471510037 989708793 /nfs/dbraw/zinc/70/87/93/989708793.db2.gz FSRMWGVQCWSXDS-KRWDZBQOSA-N 0 2 414.556 3.873 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccco3)s2)c(Br)c1 ZINC000471517998 989717696 /nfs/dbraw/zinc/71/76/96/989717696.db2.gz KGBXHSRRCJSGPU-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2c(C)nn(CC)c2C)s1)c1ccccc1 ZINC000471518627 989717831 /nfs/dbraw/zinc/71/78/31/989717831.db2.gz AYUMMRVOUNIPQG-OAHLLOKOSA-N 0 2 405.549 3.714 20 0 HHADLN CCOc1cccc(CNC(=O)C2=NN(c3ccccc3)CC2=O)c1OC(F)F ZINC000465393782 989743440 /nfs/dbraw/zinc/74/34/40/989743440.db2.gz GGBAYCKWXHRCDW-UHFFFAOYSA-N 0 2 403.385 3.508 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(F)c(OC)c2)cnn1-c1cccc(F)c1 ZINC000471587824 989791840 /nfs/dbraw/zinc/79/18/40/989791840.db2.gz KHNGACYHYUHZJN-UHFFFAOYSA-N 0 2 407.442 3.912 20 0 HHADLN NC(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)cc1 ZINC000471591867 989795616 /nfs/dbraw/zinc/79/56/16/989795616.db2.gz AKORRGBACAKSMT-UHFFFAOYSA-N 0 2 422.663 3.533 20 0 HHADLN O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccc2[nH]nnc2c1 ZINC000471679464 989883347 /nfs/dbraw/zinc/88/33/47/989883347.db2.gz MBXWHVWXMHETKC-UHFFFAOYSA-N 0 2 407.865 3.849 20 0 HHADLN CC(C)n1nc2c(c1NS(=O)(=O)c1ccc(F)cc1Br)CCC2 ZINC000471905884 990074301 /nfs/dbraw/zinc/07/43/01/990074301.db2.gz NXJSUAPDFMRHAX-UHFFFAOYSA-N 0 2 402.289 3.655 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(F)c(Br)cc1C ZINC000471964024 990129604 /nfs/dbraw/zinc/12/96/04/990129604.db2.gz HLHBDEIRCPDQHW-UHFFFAOYSA-N 0 2 420.256 3.639 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cc(F)c(Br)cc2C)cc1OC ZINC000471964044 990129630 /nfs/dbraw/zinc/12/96/30/990129630.db2.gz HOXMVELCXKYUKK-UHFFFAOYSA-N 0 2 422.247 3.854 20 0 HHADLN COC(=O)[C@@H](NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(F)c(C)c1 ZINC000466512988 991799435 /nfs/dbraw/zinc/79/94/35/991799435.db2.gz DSLVQBXDIVHXCS-LBPRGKRZSA-N 0 2 412.291 3.695 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCCc3sccc32)c(F)c1Cl ZINC000466530416 991828329 /nfs/dbraw/zinc/82/83/29/991828329.db2.gz NLEMKAMBUUTZOP-LLVKDONJSA-N 0 2 420.890 3.994 20 0 HHADLN CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)[nH]n1 ZINC000466957897 992267629 /nfs/dbraw/zinc/26/76/29/992267629.db2.gz OADQECSHKCQSRC-KGLIPLIRSA-N 0 2 411.499 3.669 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)ccc1Br ZINC000467433063 992730660 /nfs/dbraw/zinc/73/06/60/992730660.db2.gz GZRCOTMJGINDHR-UHFFFAOYSA-N 0 2 411.199 3.852 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)ccc1C ZINC000467442468 992738646 /nfs/dbraw/zinc/73/86/46/992738646.db2.gz GLVFNEWAGGTQCR-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](C)c3cn(C(C)(C)C)nc3C)s[nH]2)c1 ZINC000467458679 992752295 /nfs/dbraw/zinc/75/22/95/992752295.db2.gz RHJLFANWLIVVBI-LBPRGKRZSA-N 0 2 414.535 3.778 20 0 HHADLN Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000472160928 993211130 /nfs/dbraw/zinc/21/11/30/993211130.db2.gz VLOPXBVEWWKONY-UHFFFAOYSA-N 0 2 417.473 3.508 20 0 HHADLN O=C(Nc1cc([C@H]2CCCOC2)[nH]n1)c1[nH]nc(-c2ccccc2)c1Br ZINC000473413705 994266239 /nfs/dbraw/zinc/26/62/39/994266239.db2.gz RCMWUSWULGGKHG-LBPRGKRZSA-N 0 2 416.279 3.709 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)c1C ZINC000473429111 994280280 /nfs/dbraw/zinc/28/02/80/994280280.db2.gz BHPMTMNNKAVYIC-UHFFFAOYSA-N 0 2 414.318 3.813 20 0 HHADLN CCOC(=O)C(C)(C)n1cc(NS(=O)(=O)c2ccc(Cl)c3ccccc32)cn1 ZINC000481601718 994450975 /nfs/dbraw/zinc/45/09/75/994450975.db2.gz ROXKHFNXJUKWFK-UHFFFAOYSA-N 0 2 421.906 3.789 20 0 HHADLN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000481656432 994518348 /nfs/dbraw/zinc/51/83/48/994518348.db2.gz LZKAQMWSOHBVSN-JTQLQIEISA-N 0 2 424.452 3.885 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCn4c(nnc4C4CCCC4)C3)=N2)c1 ZINC000481685901 994546137 /nfs/dbraw/zinc/54/61/37/994546137.db2.gz NJIUTNONSWOOIM-UHFFFAOYSA-N 0 2 420.517 3.606 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccnc(Oc2ccccc2)c1 ZINC000473707998 994599128 /nfs/dbraw/zinc/59/91/28/994599128.db2.gz YCPYKAXMGWCSHC-UHFFFAOYSA-N 0 2 416.441 3.893 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3ncc(C(F)(F)F)s3)cc2F)c1 ZINC000473756261 994666274 /nfs/dbraw/zinc/66/62/74/994666274.db2.gz LDVSESYYGYXQAZ-UHFFFAOYSA-N 0 2 406.386 3.596 20 0 HHADLN O=S(=O)(Nc1ncc(C(F)(F)F)s1)c1ccc(F)c(Br)c1 ZINC000473761162 994674251 /nfs/dbraw/zinc/67/42/51/994674251.db2.gz ZZYKMWRSCIVWOE-UHFFFAOYSA-N 0 2 405.192 3.864 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000473770126 994689977 /nfs/dbraw/zinc/68/99/77/994689977.db2.gz RHBLBDVPIOYFQM-FQEVSTJZSA-N 0 2 412.902 3.944 20 0 HHADLN Cc1ccc(Br)c(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)c1 ZINC000473771056 994690691 /nfs/dbraw/zinc/69/06/91/994690691.db2.gz XOPKCSMNSVSNOL-UHFFFAOYSA-N 0 2 416.279 3.776 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2noc(COc3ccc(F)cc3)n2)sc1Cl ZINC000473770745 994690930 /nfs/dbraw/zinc/69/09/30/994690930.db2.gz VWFSRTVGCGHYLG-UHFFFAOYSA-N 0 2 403.844 3.612 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3ccc(OCC)cc3C)o2)cc1 ZINC000481841988 994696833 /nfs/dbraw/zinc/69/68/33/994696833.db2.gz ONWZHRHJQGPSFJ-UHFFFAOYSA-N 0 2 403.460 3.643 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(C3CCC3)cs2)c(Br)c1 ZINC000481844624 994699998 /nfs/dbraw/zinc/69/99/98/994699998.db2.gz KRKCZCGATBFJMJ-UHFFFAOYSA-N 0 2 403.323 3.983 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3c(C)ccc4cccnc43)o2)cc1 ZINC000481852784 994709759 /nfs/dbraw/zinc/70/97/59/994709759.db2.gz FMWSXHQVYRHKFA-UHFFFAOYSA-N 0 2 410.455 3.793 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(C3CCCC3)nn2C)c(Br)c1 ZINC000481864267 994725210 /nfs/dbraw/zinc/72/52/10/994725210.db2.gz NYZUCFAEQRZJHW-UHFFFAOYSA-N 0 2 414.325 3.650 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(C[NH+](C)C)c(Cl)c2)c1 ZINC000481866698 994727063 /nfs/dbraw/zinc/72/70/63/994727063.db2.gz SQMFIAHTWXCZEY-UHFFFAOYSA-N 0 2 414.886 3.518 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2nc3cc(F)c(C)cc3s2)cn1 ZINC000481869568 994731709 /nfs/dbraw/zinc/73/17/09/994731709.db2.gz DXTXOLIJVNUSIB-UHFFFAOYSA-N 0 2 418.475 3.739 20 0 HHADLN Cc1sc(Br)cc1S(=O)(=O)Nc1nnc(Cc2ccccc2)o1 ZINC000481871135 994734533 /nfs/dbraw/zinc/73/45/33/994734533.db2.gz VAGOIVOPWKMUAM-UHFFFAOYSA-N 0 2 414.306 3.594 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2ccc3c(c2)OCO3)s1)c1ccccc1 ZINC000481942014 994818291 /nfs/dbraw/zinc/81/82/91/994818291.db2.gz KAEPUEVGEFULOR-AWEZNQCLSA-N 0 2 403.485 3.610 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2c(C)cccc2OC(F)F)c1 ZINC000481959253 994843864 /nfs/dbraw/zinc/84/38/64/994843864.db2.gz KYGCVOBZOKPFSP-UHFFFAOYSA-N 0 2 405.806 3.837 20 0 HHADLN COc1ccc([C@H](NC(=O)NCc2nnc(COc3ccccc3)[nH]2)C(C)C)cc1 ZINC000473895693 994851765 /nfs/dbraw/zinc/85/17/65/994851765.db2.gz ONDQTYBSSSRVML-OAQYLSRUSA-N 0 2 409.490 3.589 20 0 HHADLN O=S(=O)(Nc1nc2c(cccc2C(F)(F)F)s1)c1ccc2c(c1)OCO2 ZINC000481965000 994853747 /nfs/dbraw/zinc/85/37/47/994853747.db2.gz PUKQXDAVZFHTDJ-UHFFFAOYSA-N 0 2 402.375 3.845 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CC[C@@H](OCc4ccccn4)C3)=N2)cc1 ZINC000473984637 994971671 /nfs/dbraw/zinc/97/16/71/994971671.db2.gz QKOAMKYDHHAKPB-HXUWFJFHSA-N 0 2 406.486 3.528 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1cnn(-c2ccc(Cl)cc2)c1 ZINC000482065990 994998595 /nfs/dbraw/zinc/99/85/95/994998595.db2.gz FIEGXSKMYWBYOW-UHFFFAOYSA-N 0 2 423.864 3.545 20 0 HHADLN O=C(NCCc1c[nH]c2ccc(Cl)cc12)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474040120 995030213 /nfs/dbraw/zinc/03/02/13/995030213.db2.gz UMIJWOXGEYEWPP-UHFFFAOYSA-N 0 2 424.892 3.560 20 0 HHADLN CCO[C@@H]1C[C@H](N(C)C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1(CC)CC ZINC000474089881 995072740 /nfs/dbraw/zinc/07/27/40/995072740.db2.gz PETXIRJLPINOEW-ZWKOTPCHSA-N 0 2 415.538 3.509 20 0 HHADLN C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1 ZINC000474091221 995073504 /nfs/dbraw/zinc/07/35/04/995073504.db2.gz VWGFVMCZLGHBQG-BEFAXECRSA-N 0 2 409.465 3.816 20 0 HHADLN C[C@H]1CCN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)[C@H]1c1cccc(F)c1 ZINC000474090861 995073674 /nfs/dbraw/zinc/07/36/74/995073674.db2.gz UVLDVTNUICTLKI-YCRPNKLZSA-N 0 2 409.465 3.816 20 0 HHADLN Cc1ccc(SC[C@@H](C)NC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000474091282 995073747 /nfs/dbraw/zinc/07/37/47/995073747.db2.gz WYSNEDMADOVBQL-MRXNPFEDSA-N 0 2 411.531 3.672 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc2cccnc21 ZINC000482131767 995082054 /nfs/dbraw/zinc/08/20/54/995082054.db2.gz JWKARICAEBLKKO-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN COc1cc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)ccc1NC(N)=O ZINC000474298756 995288399 /nfs/dbraw/zinc/28/83/99/995288399.db2.gz USONOCWQCOXAFW-UHFFFAOYSA-N 0 2 424.693 3.947 20 0 HHADLN Cc1ncoc1C(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000474330130 995311944 /nfs/dbraw/zinc/31/19/44/995311944.db2.gz NHRKHKFTQITBMM-UHFFFAOYSA-N 0 2 409.826 3.829 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccnn1C1CCCC1 ZINC000482357679 995338090 /nfs/dbraw/zinc/33/80/90/995338090.db2.gz LKNGAWYDNWUKCT-UHFFFAOYSA-N 0 2 417.516 3.508 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2ccccc2OCC(F)F)c1 ZINC000474390801 995365609 /nfs/dbraw/zinc/36/56/09/995365609.db2.gz QHVFGXLENMOOQA-UHFFFAOYSA-N 0 2 422.247 3.902 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CC[C@@]4(C3)OCc3ccccc34)=N2)cc1 ZINC000474427490 995390484 /nfs/dbraw/zinc/39/04/84/995390484.db2.gz ASTQREYYQIENOT-DEOSSOPVSA-N 0 2 403.482 3.973 20 0 HHADLN C[C@@H](Sc1ccccc1Cl)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474576982 995538555 /nfs/dbraw/zinc/53/85/55/995538555.db2.gz NBUMFOGRGAMQFF-CYBMUJFWSA-N 0 2 402.907 3.834 20 0 HHADLN CC(C)Cn1cc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)c2ccccc21 ZINC000474591670 995550148 /nfs/dbraw/zinc/55/01/48/995550148.db2.gz KJFGFYHXUTYCAE-UHFFFAOYSA-N 0 2 403.486 3.924 20 0 HHADLN Cc1ccc(C(=O)CC(C)(C)CC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000474592632 995550501 /nfs/dbraw/zinc/55/05/01/995550501.db2.gz IEICCEXCHXJGAK-UHFFFAOYSA-N 0 2 420.513 3.998 20 0 HHADLN C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474594581 995552357 /nfs/dbraw/zinc/55/23/57/995552357.db2.gz WCSOZEBKBRNFIP-MRXNPFEDSA-N 0 2 408.502 3.765 20 0 HHADLN CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474594633 995553607 /nfs/dbraw/zinc/55/36/07/995553607.db2.gz WQIOIQJSMAOHDG-LJQANCHMSA-N 0 2 408.502 3.981 20 0 HHADLN CC(C)c1cc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)c2ccccc2n1 ZINC000474596299 995554251 /nfs/dbraw/zinc/55/42/51/995554251.db2.gz TWKXXYQVRCTPPA-UHFFFAOYSA-N 0 2 401.470 3.985 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000474659427 995605474 /nfs/dbraw/zinc/60/54/74/995605474.db2.gz JGVJJAFSTIUFAI-WMZOPIPTSA-N 0 2 409.465 3.658 20 0 HHADLN COc1ccccc1[C@@H](CNC(=O)C1=NN(c2ccc(F)cc2)CC1=O)OC(C)C ZINC000474707569 995647640 /nfs/dbraw/zinc/64/76/40/995647640.db2.gz UUIKLKRUKMRLJW-HXUWFJFHSA-N 0 2 413.449 3.622 20 0 HHADLN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000474723043 995659331 /nfs/dbraw/zinc/65/93/31/995659331.db2.gz NQLVSZTYQVIIEU-MCIONIFRSA-N 0 2 408.549 3.842 20 0 HHADLN Cc1cccc2c(=O)c(C(=O)N3CCN(Cc4csc(C(C)(C)C)n4)CC3)c[nH]c12 ZINC000482829407 995776875 /nfs/dbraw/zinc/77/68/75/995776875.db2.gz RKVYREZEMAWNKA-UHFFFAOYSA-N 0 2 424.570 3.549 20 0 HHADLN C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000475030348 995881318 /nfs/dbraw/zinc/88/13/18/995881318.db2.gz HMDFPZXGWRIODH-CEXHIMGSSA-N 0 2 400.529 3.589 20 0 HHADLN Cc1cccc2c(=O)c(C(=O)N3CCO[C@H](c4ccc(F)c(Cl)c4)C3)c[nH]c12 ZINC000482959260 995882212 /nfs/dbraw/zinc/88/22/12/995882212.db2.gz KSMSPXJDXWTKNA-SFHVURJKSA-N 0 2 400.837 3.843 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@@H]3CCc4cn(C(C)C)nc4C3)=N2)cc1 ZINC000483067715 995952401 /nfs/dbraw/zinc/95/24/01/995952401.db2.gz AMPAYSSQAWJCLH-GOSISDBHSA-N 0 2 407.518 3.766 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)s[nH]1 ZINC000475629196 996261155 /nfs/dbraw/zinc/26/11/55/996261155.db2.gz WMJJNYCOUUOXFW-CYBMUJFWSA-N 0 2 414.453 3.882 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1F ZINC000475753345 996349632 /nfs/dbraw/zinc/34/96/32/996349632.db2.gz XCIHBMZPTNXSFQ-UHFFFAOYSA-N 0 2 402.850 3.564 20 0 HHADLN Cc1nc2ccc(Br)cn2c1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000475775861 996363641 /nfs/dbraw/zinc/36/36/41/996363641.db2.gz NXVVQQOMHWALAM-UHFFFAOYSA-N 0 2 420.317 3.659 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(F)cc(NCC(F)(F)F)c1 ZINC000475786616 996370756 /nfs/dbraw/zinc/37/07/56/996370756.db2.gz LZEWYYSPVAWZBF-UHFFFAOYSA-N 0 2 424.347 3.526 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cn(-c3ccccc3)nc2C)c(Br)c1 ZINC000475794634 996375017 /nfs/dbraw/zinc/37/50/17/996375017.db2.gz PUPDSVVFJNGSBD-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN Cc1nc(-c2ccccc2NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)cs1 ZINC000475830683 996399266 /nfs/dbraw/zinc/39/92/66/996399266.db2.gz NNDMIHGIPZROJD-UHFFFAOYSA-N 0 2 419.919 3.924 20 0 HHADLN CCc1nc(NS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)no1 ZINC000476225467 996688908 /nfs/dbraw/zinc/68/89/08/996688908.db2.gz WRAGNSNDTYPREC-UHFFFAOYSA-N 0 2 401.069 3.502 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1 ZINC000476267631 996718319 /nfs/dbraw/zinc/71/83/19/996718319.db2.gz WJFPEELBDRLOGI-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(Br)ccc3F)s[nH]2)c1 ZINC000476359068 996786752 /nfs/dbraw/zinc/78/67/52/996786752.db2.gz XTOYADDRQAEXLA-UHFFFAOYSA-N 0 2 408.252 3.790 20 0 HHADLN COc1ncc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000476381329 996823629 /nfs/dbraw/zinc/82/36/29/996823629.db2.gz SCSYSDWFZFTTDK-UHFFFAOYSA-N 0 2 415.446 3.591 20 0 HHADLN CN(Cc1ccccc1Cl)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476412872 996875088 /nfs/dbraw/zinc/87/50/88/996875088.db2.gz HKZINRPYYSGORE-UHFFFAOYSA-N 0 2 421.931 3.870 20 0 HHADLN Cc1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000476437889 996909467 /nfs/dbraw/zinc/90/94/67/996909467.db2.gz QQLSFFYTOOSALQ-UHFFFAOYSA-N 0 2 401.513 3.525 20 0 HHADLN CCN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H](C)c1cccnc1 ZINC000476524495 997013171 /nfs/dbraw/zinc/01/31/71/997013171.db2.gz IVDNIFQNKWJHMR-AWEZNQCLSA-N 0 2 416.528 3.562 20 0 HHADLN O=C(Nc1cc(C2CCCC2)[nH]n1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476538647 997029726 /nfs/dbraw/zinc/02/97/26/997029726.db2.gz RPADPUBEJDMWPC-UHFFFAOYSA-N 0 2 417.516 3.577 20 0 HHADLN O=C(NC1(c2ccc(F)cc2)CC1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476542065 997033268 /nfs/dbraw/zinc/03/32/68/997033268.db2.gz TWRKPDKTMJVGSQ-UHFFFAOYSA-N 0 2 417.487 3.502 20 0 HHADLN C[C@H]1CCCC[C@H]1CCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476551689 997043921 /nfs/dbraw/zinc/04/39/21/997043921.db2.gz VUEWJGFOPWUZEX-GJZGRUSLSA-N 0 2 407.561 3.890 20 0 HHADLN C[C@H]1CCCC[C@@H]1CCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476551694 997045194 /nfs/dbraw/zinc/04/51/94/997045194.db2.gz VUEWJGFOPWUZEX-LSDHHAIUSA-N 0 2 407.561 3.890 20 0 HHADLN Cc1ccc([C@@H](C)CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000476555991 997048011 /nfs/dbraw/zinc/04/80/11/997048011.db2.gz ZROSMBYNHSVMCW-HNNXBMFYSA-N 0 2 415.540 3.786 20 0 HHADLN Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccc(C(=O)N(C)C)c(Cl)c1 ZINC000476590964 997093287 /nfs/dbraw/zinc/09/32/87/997093287.db2.gz ACHLHOQFRCEAHD-UHFFFAOYSA-N 0 2 403.891 3.699 20 0 HHADLN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H](C)c1ccccc1 ZINC000476682253 997222402 /nfs/dbraw/zinc/22/24/02/997222402.db2.gz BAFBYTMHJWJIQK-LSDHHAIUSA-N 0 2 415.540 3.866 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCC[C@@H]1C1CCCC1 ZINC000476744428 997296892 /nfs/dbraw/zinc/29/68/92/997296892.db2.gz IVYOLCBNLKFZFE-QGZVFWFLSA-N 0 2 405.545 3.739 20 0 HHADLN CCN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1CCCC[C@H]1C ZINC000476750206 997305604 /nfs/dbraw/zinc/30/56/04/997305604.db2.gz WEXHVCPTQPJZNB-RHSMWYFYSA-N 0 2 407.561 3.985 20 0 HHADLN C[C@@H](CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1 ZINC000476767897 997324745 /nfs/dbraw/zinc/32/47/45/997324745.db2.gz VJKAJISXXRERJM-HNNXBMFYSA-N 0 2 415.540 3.820 20 0 HHADLN CC[C@@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1nccs1 ZINC000485018501 997383983 /nfs/dbraw/zinc/38/39/83/997383983.db2.gz DMHIPONLUKXZRS-CYBMUJFWSA-N 0 2 423.545 3.673 20 0 HHADLN Cc1ccc(-c2nsc(NS(=O)(=O)c3ccccc3Br)n2)s1 ZINC000476873164 997450319 /nfs/dbraw/zinc/45/03/19/997450319.db2.gz NLSZTDBTUHXRGU-UHFFFAOYSA-N 0 2 416.347 3.560 20 0 HHADLN Cc1ccc(-c2nsc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)n2)s1 ZINC000476873141 997450396 /nfs/dbraw/zinc/45/03/96/997450396.db2.gz NFIDWEUSRCQKNG-UHFFFAOYSA-N 0 2 405.448 3.817 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c(OC)c1OC ZINC000485105054 997484722 /nfs/dbraw/zinc/48/47/22/997484722.db2.gz OPFAPGUHUJOMAB-UHFFFAOYSA-N 0 2 409.357 3.671 20 0 HHADLN COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1 ZINC000476906803 997513413 /nfs/dbraw/zinc/51/34/13/997513413.db2.gz COKZCCMMQPCQHG-UHFFFAOYSA-N 0 2 422.528 3.502 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cc(F)ccc2Cl)nc1C(C)(C)C ZINC000476914902 997523814 /nfs/dbraw/zinc/52/38/14/997523814.db2.gz NICQDOKXUHRHME-UHFFFAOYSA-N 0 2 406.888 3.821 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1n[nH]c2c1CCCCC2 ZINC000476921118 997531972 /nfs/dbraw/zinc/53/19/72/997531972.db2.gz YDGDQTSMGZAFLR-UHFFFAOYSA-N 0 2 419.258 3.618 20 0 HHADLN CCOC(=O)c1cccc(NS(=O)(=O)c2cc(Br)c(F)cc2F)c1 ZINC000485167267 997549252 /nfs/dbraw/zinc/54/92/52/997549252.db2.gz UXBFWKHFYUAACI-UHFFFAOYSA-N 0 2 420.231 3.705 20 0 HHADLN C[C@@H](C1CC1)N(C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1CC1 ZINC000485369449 997795246 /nfs/dbraw/zinc/79/52/46/997795246.db2.gz GGSIJEUMFRZOHX-LBPRGKRZSA-N 0 2 406.533 3.739 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N[C@H]1C[C@H]1c1ccccc1 ZINC000485383999 997811475 /nfs/dbraw/zinc/81/14/75/997811475.db2.gz ZBKAABDSPCJAFP-IRXDYDNUSA-N 0 2 414.512 3.622 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1)C1CC1 ZINC000485384042 997811578 /nfs/dbraw/zinc/81/15/78/997811578.db2.gz TUUZDMHYLJUVJP-UHFFFAOYSA-N 0 2 402.369 3.994 20 0 HHADLN Cc1cc(F)cc(C)c1S(=O)(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000485394983 997822776 /nfs/dbraw/zinc/82/27/76/997822776.db2.gz ZLQLPONFEPIRMA-UHFFFAOYSA-N 0 2 414.384 3.843 20 0 HHADLN Cn1ncc(NS(=O)(=O)c2cc(Cl)ccc2Br)c1C(F)(F)F ZINC000485396632 997824937 /nfs/dbraw/zinc/82/49/37/997824937.db2.gz XOTCYBPWISRKJU-UHFFFAOYSA-N 0 2 418.622 3.656 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c1C1CC1 ZINC000477218371 997891154 /nfs/dbraw/zinc/89/11/54/997891154.db2.gz HZMDWQNNBAWAIJ-NSHDSACASA-N 0 2 418.441 3.868 20 0 HHADLN Cc1ccc(O[C@H](C)C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1 ZINC000485474870 997922772 /nfs/dbraw/zinc/92/27/72/997922772.db2.gz DROPKIOIYUANBG-CQSZACIVSA-N 0 2 417.512 3.658 20 0 HHADLN O=C(CCC(=O)c1ccccc1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485479142 997929305 /nfs/dbraw/zinc/92/93/05/997929305.db2.gz NJLZAAJSZYSHHQ-UHFFFAOYSA-N 0 2 415.496 3.546 20 0 HHADLN O=C(N[C@H](C(=O)Nc1ccccc1)c1ccccc1)C1=NN(c2ccccc2)CC1=O ZINC000485712330 998179432 /nfs/dbraw/zinc/17/94/32/998179432.db2.gz RVIQZKUMTZWBGI-NRFANRHFSA-N 0 2 412.449 3.688 20 0 HHADLN CCN(CC)C(=O)Nc1ccc([C@H](C)NC(=O)C2=NN(c3ccccc3)CC2=O)cc1 ZINC000485714030 998181802 /nfs/dbraw/zinc/18/18/02/998181802.db2.gz XJWNSDHZYDYKCM-INIZCTEOSA-N 0 2 421.501 3.943 20 0 HHADLN CC(C)c1ccc2c(c1)[C@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)CCC2 ZINC000477672324 998384198 /nfs/dbraw/zinc/38/41/98/998384198.db2.gz FETMDTMGGISHJJ-MRXNPFEDSA-N 0 2 400.548 3.513 20 0 HHADLN Cc1cccc(CC2(O)CCN(C(=O)C3=NN(c4ccc(F)cc4C)CC3=O)CC2)c1 ZINC000477686960 998399663 /nfs/dbraw/zinc/39/96/63/998399663.db2.gz AORJIKRZIZYRMQ-UHFFFAOYSA-N 0 2 423.488 3.544 20 0 HHADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c1 ZINC000486080216 998527558 /nfs/dbraw/zinc/52/75/58/998527558.db2.gz KIHBEBHQHJWSLH-UHFFFAOYSA-N 0 2 417.462 3.722 20 0 HHADLN COC(=O)c1c(Br)ccc(NS(=O)(=O)c2ccc(C)s2)c1C ZINC000486082044 998528965 /nfs/dbraw/zinc/52/89/65/998528965.db2.gz VVLBLCVERGXJAZ-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN COC(=O)c1c(C)c(NS(=O)(=O)c2cccc(F)c2F)ccc1Br ZINC000486090147 998537203 /nfs/dbraw/zinc/53/72/03/998537203.db2.gz UHNYRLGHZCSZCU-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C(C)C)ccc1F ZINC000486098726 998547121 /nfs/dbraw/zinc/54/71/21/998547121.db2.gz RXJRERUENNXLFK-UHFFFAOYSA-N 0 2 410.515 3.951 20 0 HHADLN CC(C)CCn1ncc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1C(C)C ZINC000486108527 998555591 /nfs/dbraw/zinc/55/55/91/998555591.db2.gz KUGUQWDQXDGMNV-UHFFFAOYSA-N 0 2 418.563 3.980 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cnn(CCC(C)C)c3C(C)C)cc21 ZINC000486111988 998559637 /nfs/dbraw/zinc/55/96/37/998559637.db2.gz XJBCIJLYQOHAOX-UHFFFAOYSA-N 0 2 418.563 3.762 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000486570427 998832815 /nfs/dbraw/zinc/83/28/15/998832815.db2.gz HOHXXNPTUUENCH-UHFFFAOYSA-N 0 2 413.883 3.731 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)c1 ZINC000486624612 998863199 /nfs/dbraw/zinc/86/31/99/998863199.db2.gz DORSXKRBJAIJFZ-UHFFFAOYSA-N 0 2 404.419 3.831 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cccc(NC(=O)c2cccnc2)c1 ZINC000478305061 998875812 /nfs/dbraw/zinc/87/58/12/998875812.db2.gz ANSVWROTKKKISC-UHFFFAOYSA-N 0 2 420.379 3.650 20 0 HHADLN O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000478315823 998883096 /nfs/dbraw/zinc/88/30/96/998883096.db2.gz RLTBIDQGAIPBSE-UHFFFAOYSA-N 0 2 419.819 3.552 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000486837050 998964690 /nfs/dbraw/zinc/96/46/90/998964690.db2.gz MSEYKSPBSVPGMU-UHFFFAOYSA-N 0 2 410.467 3.959 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)ns2)cc1C(F)(F)F ZINC000486914644 999004234 /nfs/dbraw/zinc/00/42/34/999004234.db2.gz YJXPRIYNGFJLFB-UHFFFAOYSA-N 0 2 405.448 3.817 20 0 HHADLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2ccc(OC)cc2Br)cn1 ZINC000478690770 999090801 /nfs/dbraw/zinc/09/08/01/999090801.db2.gz AZCMDQAUFHOZTI-SNVBAGLBSA-N 0 2 400.298 3.562 20 0 HHADLN Cc1cscc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 ZINC000487203023 999095706 /nfs/dbraw/zinc/09/57/06/999095706.db2.gz RQYBNHREWHGVRX-UHFFFAOYSA-N 0 2 402.501 3.516 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CC34CCCCC4)cc2)nc(C)n1 ZINC000478750428 999121833 /nfs/dbraw/zinc/12/18/33/999121833.db2.gz ZBMZHUFUQOBRJY-GOSISDBHSA-N 0 2 414.531 3.803 20 0 HHADLN COC[C@H](C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C ZINC000487498786 999199275 /nfs/dbraw/zinc/19/92/75/999199275.db2.gz KMXBCLZLSDLGOI-GJZGRUSLSA-N 0 2 408.495 3.792 20 0 HHADLN CC(C)(C)c1cc(NS(=O)(=O)c2ccc3ncsc3c2)n(-c2ccccn2)n1 ZINC000479083948 999286202 /nfs/dbraw/zinc/28/62/02/999286202.db2.gz HMVHHIISOMPPSL-UHFFFAOYSA-N 0 2 413.528 3.975 20 0 HHADLN O=S(=O)(Nc1nccc(-c2ccccc2)n1)c1cc(F)ccc1Br ZINC000479159087 999302032 /nfs/dbraw/zinc/30/20/32/999302032.db2.gz QJBPNPJJDFBQSD-UHFFFAOYSA-N 0 2 408.252 3.846 20 0 HHADLN C[C@@]([N-]S(=O)(=O)c1ccccc1Cn1cc[nH+]c1)(c1ccccc1)C(F)(F)F ZINC000479164563 999304542 /nfs/dbraw/zinc/30/45/42/999304542.db2.gz ZONYYFZDGFMBFG-GOSISDBHSA-N 0 2 409.433 3.687 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000479295624 999370940 /nfs/dbraw/zinc/37/09/40/999370940.db2.gz XCFVMMFHPOFJQA-GOSISDBHSA-N 0 2 419.815 3.723 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1ccn(C2CCCC2)n1 ZINC000479357095 999401678 /nfs/dbraw/zinc/40/16/78/999401678.db2.gz HOJONODWAXDSFL-UHFFFAOYSA-N 0 2 419.258 3.937 20 0 HHADLN O=S(=O)(Nc1cccc2c1OCCC2)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000488281154 999422390 /nfs/dbraw/zinc/42/23/90/999422390.db2.gz RTZLOKARIPCNSH-AWEZNQCLSA-N 0 2 423.918 3.881 20 0 HHADLN CNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)cc1 ZINC000488299671 999429387 /nfs/dbraw/zinc/42/93/87/999429387.db2.gz YBHLOPCTCNSYPS-UHFFFAOYSA-N 0 2 408.907 3.679 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000479521877 999458512 /nfs/dbraw/zinc/45/85/12/999458512.db2.gz KVRJGEIDBLTBBE-UHFFFAOYSA-N 0 2 418.906 3.743 20 0 HHADLN CCCc1cnc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)s1 ZINC000488402620 999476039 /nfs/dbraw/zinc/47/60/39/999476039.db2.gz XZRZQZQCHMVTAD-LBPRGKRZSA-N 0 2 416.952 3.965 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cnn(-c2ccc(Cl)cc2)c1 ZINC000479570627 999482876 /nfs/dbraw/zinc/48/28/76/999482876.db2.gz ZVHVOMNLVUFOCY-UHFFFAOYSA-N 0 2 407.927 3.796 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccnn2C)ccc1-c1ccc(Br)cc1 ZINC000488448436 999489862 /nfs/dbraw/zinc/48/98/62/999489862.db2.gz ZPOJSGPFOPHFPJ-UHFFFAOYSA-N 0 2 406.305 3.959 20 0 HHADLN CN(Cc1ccccc1)c1ccccc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000488562594 999528526 /nfs/dbraw/zinc/52/85/26/999528526.db2.gz NYGIZUJHZAFWAK-UHFFFAOYSA-N 0 2 406.458 3.585 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cnn(CC(F)F)c2)sc1Cc1cccc(C)c1 ZINC000488586681 999536787 /nfs/dbraw/zinc/53/67/87/999536787.db2.gz ZYCJVPCSDWBJJM-UHFFFAOYSA-N 0 2 412.487 3.613 20 0 HHADLN O=S(=O)(Nc1ncc(Cc2ccccc2Cl)s1)c1cnn(CC(F)F)c1 ZINC000488650905 999558770 /nfs/dbraw/zinc/55/87/70/999558770.db2.gz WIXMOCKNOCEBIF-UHFFFAOYSA-N 0 2 418.878 3.650 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000479757069 999574788 /nfs/dbraw/zinc/57/47/88/999574788.db2.gz QRYPZSZYMAIWET-UHFFFAOYSA-N 0 2 424.386 3.816 20 0 HHADLN COC[C@@H](C)n1ccc(NS(=O)(=O)c2ccc(OCC3CCCCC3)cc2)n1 ZINC000489037915 999679184 /nfs/dbraw/zinc/67/91/84/999679184.db2.gz JEEVSPSEORUALQ-MRXNPFEDSA-N 0 2 407.536 3.850 20 0 HHADLN O=S(=O)(Nc1noc(COc2ccc(F)cc2)n1)c1c(Cl)cccc1Cl ZINC000480177866 999737557 /nfs/dbraw/zinc/73/75/57/999737557.db2.gz KFMXDOYLNNXLEI-UHFFFAOYSA-N 0 2 418.233 3.895 20 0 HHADLN Cc1c2cc(F)ccc2oc1S(=O)(=O)Nc1noc(COc2ccc(F)cc2)n1 ZINC000480198786 999742713 /nfs/dbraw/zinc/74/27/13/999742713.db2.gz KPVASYDEIBYYNA-UHFFFAOYSA-N 0 2 421.381 3.782 20 0 HHADLN CCc1c(NS(=O)(=O)c2c(C)csc2C(=O)OC)cnn1-c1ccccc1C ZINC000480201241 999743657 /nfs/dbraw/zinc/74/36/57/999743657.db2.gz PQLSUUJLRWQVSG-UHFFFAOYSA-N 0 2 419.528 3.700 20 0 HHADLN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000480202022 999743669 /nfs/dbraw/zinc/74/36/69/999743669.db2.gz RBGXOTPOXYQFAH-UHFFFAOYSA-N 0 2 408.234 3.729 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)cc1 ZINC000480204118 999744488 /nfs/dbraw/zinc/74/44/88/999744488.db2.gz YFTGWMJIRVLEAH-UHFFFAOYSA-N 0 2 413.499 3.892 20 0 HHADLN Cc1ccc(-n2ncc(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)c2C(C)C)cc1 ZINC000480222406 999749219 /nfs/dbraw/zinc/74/92/19/999749219.db2.gz HBWWZOVADSKWPG-UHFFFAOYSA-N 0 2 422.510 3.946 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cnn1-c1cccc(Cl)c1 ZINC000480242113 999754375 /nfs/dbraw/zinc/75/43/75/999754375.db2.gz PSYRGTDXTUTEDU-UHFFFAOYSA-N 0 2 418.906 3.847 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(-c3cccc(C)c3)c2CC)cc1 ZINC000480248746 999756030 /nfs/dbraw/zinc/75/60/30/999756030.db2.gz NYYSMLFSDMLAKD-UHFFFAOYSA-N 0 2 412.515 3.892 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cnn1-c1ccc(Cl)cc1 ZINC000480249679 999756130 /nfs/dbraw/zinc/75/61/30/999756130.db2.gz QACFKSDCOWASOC-UHFFFAOYSA-N 0 2 418.906 3.847 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1sccc1C1CC1 ZINC000490030560 999881249 /nfs/dbraw/zinc/88/12/49/999881249.db2.gz MLOMOFLUPDCFBL-UHFFFAOYSA-N 0 2 406.514 3.530 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1cccn1C1CCCC1 ZINC000490068239 999888464 /nfs/dbraw/zinc/88/84/64/999888464.db2.gz QRYJAFNUJVOAIV-UHFFFAOYSA-N 0 2 417.516 3.508 20 0 HHADLN Cn1cc(NS(=O)(=O)c2ccsc2C(=O)Nc2csc3ccccc23)cn1 ZINC000490213234 999911832 /nfs/dbraw/zinc/91/18/32/999911832.db2.gz SIVDDDIMPQXSDY-UHFFFAOYSA-N 0 2 418.525 3.749 20 0 HHADLN CCc1c(NS(=O)(=O)c2cc(C(=O)OC)cc(F)c2C)cnn1CCC(C)C ZINC000491571656 1000084477 /nfs/dbraw/zinc/08/44/77/1000084477.db2.gz GPDMUVUHTCFVCP-UHFFFAOYSA-N 0 2 411.499 3.527 20 0 HHADLN CCc1c(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)cnn1CCC(C)C ZINC000491602241 1000088607 /nfs/dbraw/zinc/08/86/07/1000088607.db2.gz SFZOOXLRVXDMJS-UHFFFAOYSA-N 0 2 413.927 3.717 20 0 HHADLN CC(C)Cc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)cc1 ZINC000492078924 1000108501 /nfs/dbraw/zinc/10/85/01/1000108501.db2.gz JLLNCWWJALIUKH-UHFFFAOYSA-N 0 2 413.547 3.959 20 0 HHADLN CCCCN(C(=O)C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1)C1CCCCC1 ZINC000493946767 1000231396 /nfs/dbraw/zinc/23/13/96/1000231396.db2.gz KOZAZKCKRLBLLD-UHFFFAOYSA-N 0 2 416.547 3.536 20 0 HHADLN O=S(=O)([N-]c1nnc(CC2CCCCC2)s1)c1ccccc1Cn1cc[nH+]c1 ZINC000494083479 1000300869 /nfs/dbraw/zinc/30/08/69/1000300869.db2.gz OEPAGFONMWLCGF-UHFFFAOYSA-N 0 2 417.560 3.707 20 0 HHADLN CS(=O)(=O)c1c(Cl)cccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000494316556 1000428828 /nfs/dbraw/zinc/42/88/28/1000428828.db2.gz KFTGGRMCBFSPOW-UHFFFAOYSA-N 0 2 413.826 3.563 20 0 HHADLN CS(=O)(=O)c1c(Cl)cccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000494330941 1000436768 /nfs/dbraw/zinc/43/67/68/1000436768.db2.gz IDRAEAUCXJTPKV-UHFFFAOYSA-N 0 2 413.826 3.563 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C ZINC000505072558 1000536568 /nfs/dbraw/zinc/53/65/68/1000536568.db2.gz ZAZQEVMPPDVILA-CKFHNAJUSA-N 0 2 406.479 3.687 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cncnc2-c2ccccc2)cc1Cl ZINC000494551543 1000551226 /nfs/dbraw/zinc/55/12/26/1000551226.db2.gz ARHPQOJHGAJOPO-UHFFFAOYSA-N 0 2 420.853 3.695 20 0 HHADLN O=S(=O)(Nc1ccc(CCn2nnc(-c3ccccc3)n2)cc1)c1ccccc1F ZINC000505112027 1000555792 /nfs/dbraw/zinc/55/57/92/1000555792.db2.gz BKDFWWMHQVAXOA-UHFFFAOYSA-N 0 2 423.473 3.523 20 0 HHADLN Cc1ccc2c(n1)[nH]cc(C(=O)N1CCC[C@H](c3nc4ccc(F)cc4o3)C1)c2=O ZINC000505173780 1000595947 /nfs/dbraw/zinc/59/59/47/1000595947.db2.gz UZGFVWOJEPCBCX-ZDUSSCGKSA-N 0 2 406.417 3.944 20 0 HHADLN Cc1cc(C)n(CC(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)n1 ZINC000505177177 1000598356 /nfs/dbraw/zinc/59/83/56/1000598356.db2.gz RHCWWXOQBCKHPL-UHFFFAOYSA-N 0 2 405.483 3.871 20 0 HHADLN Cn1c(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cc2ccccc2c1=O ZINC000505271494 1000660558 /nfs/dbraw/zinc/66/05/58/1000660558.db2.gz DABJEGBBUZQLOG-UHFFFAOYSA-N 0 2 414.252 3.883 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N1CCCC[C@H]1C(F)F ZINC000505298247 1000681835 /nfs/dbraw/zinc/68/18/35/1000681835.db2.gz POIMFUHULLBKBZ-ZDUSSCGKSA-N 0 2 416.475 3.595 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccnc(-c4ccc(Cl)cc4)n3)s[nH]2)c1 ZINC000496130279 1001129156 /nfs/dbraw/zinc/12/91/56/1001129156.db2.gz QJPXIBWOLCWQQJ-UHFFFAOYSA-N 0 2 423.885 3.998 20 0 HHADLN O=S(=O)(Nc1ccccc1-n1ccnn1)c1cc(Cl)ccc1C(F)(F)F ZINC000506602208 1001468577 /nfs/dbraw/zinc/46/85/77/1001468577.db2.gz OIJPXWMHHBQHCB-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCO[C@@H](c3ccc(F)c(C)c3)C2)=N1 ZINC000497671592 1001479743 /nfs/dbraw/zinc/47/97/43/1001479743.db2.gz SVWAIHVVZRKQIT-OAQYLSRUSA-N 0 2 409.461 3.802 20 0 HHADLN CC(C)(C)c1cc(CS(=O)(=O)Nc2ccc(F)cc2OCC(F)(F)F)no1 ZINC000506648628 1001482424 /nfs/dbraw/zinc/48/24/24/1001482424.db2.gz MWBPSYCLPAODLY-UHFFFAOYSA-N 0 2 410.389 3.994 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cnc(C(C)(C)C)nc1 ZINC000506706521 1001499992 /nfs/dbraw/zinc/49/99/92/1001499992.db2.gz HMVQEPWVEWUAEY-UHFFFAOYSA-N 0 2 418.302 3.668 20 0 HHADLN Cc1cnn(C)c1S(=O)(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 ZINC000506718911 1001503927 /nfs/dbraw/zinc/50/39/27/1001503927.db2.gz KLIJYVHVFWUSFU-UHFFFAOYSA-N 0 2 424.954 3.587 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nnc(CC(C)C)s1 ZINC000506816978 1001546957 /nfs/dbraw/zinc/54/69/57/1001546957.db2.gz ANNGOOZHASKULN-UHFFFAOYSA-N 0 2 424.331 3.631 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccccc2Oc2ccncc2)c1 ZINC000506832430 1001555111 /nfs/dbraw/zinc/55/51/11/1001555111.db2.gz MAWCLBKVEQAACL-UHFFFAOYSA-N 0 2 400.456 3.830 20 0 HHADLN CC(C)Cn1nccc1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000506836865 1001558267 /nfs/dbraw/zinc/55/82/67/1001558267.db2.gz WVPVOBQQDBIRNG-UHFFFAOYSA-N 0 2 410.696 3.895 20 0 HHADLN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2c[nH]c3ncccc23)cc1 ZINC000498009774 1001602812 /nfs/dbraw/zinc/60/28/12/1001602812.db2.gz VOAUNTVZHOCSSF-UHFFFAOYSA-N 0 2 422.466 3.625 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3C[C@@H](C)O[C@@H](c4ccccc4)C3)s[nH]2)c1 ZINC000498223148 1001706704 /nfs/dbraw/zinc/70/67/04/1001706704.db2.gz FEVPUBSOBFBCBW-RDTXWAMCSA-N 0 2 410.499 3.630 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3C[C@H](C)O[C@@H](c4ccccc4)C3)s[nH]2)c1 ZINC000498223145 1001706771 /nfs/dbraw/zinc/70/67/71/1001706771.db2.gz FEVPUBSOBFBCBW-KBXCAEBGSA-N 0 2 410.499 3.630 20 0 HHADLN Cc1cc2cccnc2c(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)c1 ZINC000507003628 1001759329 /nfs/dbraw/zinc/75/93/29/1001759329.db2.gz WYWMCBRTKLNDQH-UHFFFAOYSA-N 0 2 413.474 3.719 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccc(Cl)c(F)c1 ZINC000498322792 1001776758 /nfs/dbraw/zinc/77/67/58/1001776758.db2.gz MFFCPROYZHFHSI-UHFFFAOYSA-N 0 2 411.867 3.989 20 0 HHADLN Cc1nn(C)c2ncc(S(=O)(=O)Nc3nc4c(ccc5c4CCCC5)s3)cc12 ZINC000507299460 1001983010 /nfs/dbraw/zinc/98/30/10/1001983010.db2.gz BPMZEZVKFSZENY-UHFFFAOYSA-N 0 2 413.528 3.566 20 0 HHADLN C[C@@H]1C[C@]1(NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc(Cl)cc1 ZINC000507363229 1002024631 /nfs/dbraw/zinc/02/46/31/1002024631.db2.gz SKPFGKHRNYTRBK-SPLOXXLWSA-N 0 2 411.893 3.772 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1OC1CCOCC1)c1c[nH]c2cccc(F)c21 ZINC000507555669 1002162004 /nfs/dbraw/zinc/16/20/04/1002162004.db2.gz XYSBQYVOSOXGPR-UHFFFAOYSA-N 0 2 408.426 3.805 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N(CCO)Cc1ccc(Cl)c(Cl)c1 ZINC000507824080 1002368638 /nfs/dbraw/zinc/36/86/38/1002368638.db2.gz NFNRAOYDUSJOJB-UHFFFAOYSA-N 0 2 424.259 3.659 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2C)ccc1C ZINC000507906502 1002441488 /nfs/dbraw/zinc/44/14/88/1002441488.db2.gz REKMFJPYYAYLOD-UHFFFAOYSA-N 0 2 417.462 3.606 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)C3CCC3)cc2)c1 ZINC000507909032 1002443164 /nfs/dbraw/zinc/44/31/64/1002443164.db2.gz PFCJWHPWKNKYQQ-UHFFFAOYSA-N 0 2 417.483 3.656 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2cn(CC(C)C)nc2C(F)F)ccc1C ZINC000507920922 1002455645 /nfs/dbraw/zinc/45/56/45/1002455645.db2.gz VKXGKBLLWRTZEX-UHFFFAOYSA-N 0 2 415.462 3.763 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cccc(C(C)(C)C)c2O)c1 ZINC000507933812 1002467967 /nfs/dbraw/zinc/46/79/67/1002467967.db2.gz IVBIWHYOFPUUDB-UHFFFAOYSA-N 0 2 407.488 3.676 20 0 HHADLN O=C(N[C@@H](c1cccc(F)c1)c1ccccn1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499094207 1002485380 /nfs/dbraw/zinc/48/53/80/1002485380.db2.gz CPVRFOGXHASPPB-FQEVSTJZSA-N 0 2 406.392 3.771 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cccc(OCCF)c1 ZINC000507985956 1002514346 /nfs/dbraw/zinc/51/43/46/1002514346.db2.gz PYIXBQDXNDLMGN-UHFFFAOYSA-N 0 2 422.261 3.929 20 0 HHADLN O=C(CCc1nc2cc(Br)ccc2s1)Nc1ccc2nn[nH]c2c1 ZINC000508001764 1002529780 /nfs/dbraw/zinc/52/97/80/1002529780.db2.gz RMTFTSMVHFMJGO-UHFFFAOYSA-N 0 2 402.277 3.901 20 0 HHADLN COCC[C@@H](Cc1cccc(Br)c1)C(=O)Nc1ccc2nn[nH]c2c1 ZINC000508015143 1002539019 /nfs/dbraw/zinc/53/90/19/1002539019.db2.gz JATMGWJXTOABCM-ZDUSSCGKSA-N 0 2 403.280 3.554 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)nc3)cnc2c1Cl ZINC000499158037 1002542794 /nfs/dbraw/zinc/54/27/94/1002542794.db2.gz PVTQRMZQDZCRSU-UHFFFAOYSA-N 0 2 415.862 3.679 20 0 HHADLN O=S(=O)([N-]c1ccc(Cn2cc[nH+]c2)cn1)c1cc(C(F)(F)F)ccc1Cl ZINC000508067523 1002588783 /nfs/dbraw/zinc/58/87/83/1002588783.db2.gz JMBDGZWZQDIIAJ-UHFFFAOYSA-N 0 2 416.812 3.799 20 0 HHADLN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1cccc(Br)c1 ZINC000508103828 1002628304 /nfs/dbraw/zinc/62/83/04/1002628304.db2.gz QOKHNKRYQZZRSO-UHFFFAOYSA-N 0 2 403.323 3.600 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccccn2)s1)c1ccc(OC(F)F)c(F)c1 ZINC000508105095 1002630687 /nfs/dbraw/zinc/63/06/87/1002630687.db2.gz VSCIAIPNTQTYCY-UHFFFAOYSA-N 0 2 401.391 3.746 20 0 HHADLN O=S(=O)(Nc1cc(F)cc(N2CCOCC2)c1)c1cc(Cl)sc1Cl ZINC000499243227 1002635752 /nfs/dbraw/zinc/63/57/52/1002635752.db2.gz JEINEKMVZZKLRZ-UHFFFAOYSA-N 0 2 411.307 3.831 20 0 HHADLN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1ccc(C(F)(F)F)cc1F ZINC000508110307 1002636522 /nfs/dbraw/zinc/63/65/22/1002636522.db2.gz PMZFDKWCIGIKGB-UHFFFAOYSA-N 0 2 410.414 3.996 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)F)c2)o1)c1cccc(Cl)c1F ZINC000508129531 1002660232 /nfs/dbraw/zinc/66/02/32/1002660232.db2.gz UYZZOMPGOHRVQT-UHFFFAOYSA-N 0 2 419.768 3.931 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2ccc3c(Cl)cccc3n2)c1 ZINC000508129768 1002661773 /nfs/dbraw/zinc/66/17/73/1002661773.db2.gz CDYLIDJPNCVWGR-UHFFFAOYSA-N 0 2 404.875 3.795 20 0 HHADLN O=S(=O)(Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1)c1cn[nH]c1 ZINC000499269329 1002674951 /nfs/dbraw/zinc/67/49/51/1002674951.db2.gz FNCMACRTLBGLML-UHFFFAOYSA-N 0 2 402.329 3.556 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nc3c(s2)c(Cl)ccc3C)cnn1-c1ccccn1 ZINC000508145810 1002681834 /nfs/dbraw/zinc/68/18/34/1002681834.db2.gz UHEXTFJQZGOLRE-UHFFFAOYSA-N 0 2 419.919 3.948 20 0 HHADLN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(C)C)cc1 ZINC000499275490 1002683336 /nfs/dbraw/zinc/68/33/36/1002683336.db2.gz URYAYVXUUROSQU-UHFFFAOYSA-N 0 2 420.579 3.945 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2nnc(C[C@@H](C)CC(C)(C)C)o2)c1 ZINC000508209568 1002741452 /nfs/dbraw/zinc/74/14/52/1002741452.db2.gz ZEHKLFVFIANWHY-CYBMUJFWSA-N 0 2 411.524 3.640 20 0 HHADLN COc1ccc(CN(C)C(=O)C2=NN(c3ccc(F)cc3)CC2=O)cc1OC(F)F ZINC000499538395 1002923756 /nfs/dbraw/zinc/92/37/56/1002923756.db2.gz HJVFMAZWYKZHNR-UHFFFAOYSA-N 0 2 421.375 3.599 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(C)Cc3ccc(Br)s3)=N2)cc1 ZINC000499584892 1002961220 /nfs/dbraw/zinc/96/12/20/1002961220.db2.gz KPSBAOXLCFBYMV-UHFFFAOYSA-N 0 2 422.304 3.683 20 0 HHADLN O=C(NCc1ccc(COCC(F)(F)F)cc1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499771551 1003109573 /nfs/dbraw/zinc/10/95/73/1003109573.db2.gz QHFJIPLRKRPUJC-UHFFFAOYSA-N 0 2 423.366 3.726 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC[C@@H]3c3cccc(N(C)C)c3)=N2)cc1 ZINC000499843654 1003180018 /nfs/dbraw/zinc/18/00/18/1003180018.db2.gz COICGHLETBSSAI-HXUWFJFHSA-N 0 2 406.486 3.630 20 0 HHADLN CCc1nc2c(s1)[C@H](N(C)C(=O)C1=NN(c3ccc(OC)cc3)CC1=O)CCC2 ZINC000499877885 1003214344 /nfs/dbraw/zinc/21/43/44/1003214344.db2.gz XASUQLQJTOPVKD-MRXNPFEDSA-N 0 2 412.515 3.755 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)S(=O)(=O)c1cccc(-c2ccccc2)c1 ZINC000508858874 1003278684 /nfs/dbraw/zinc/27/86/84/1003278684.db2.gz WULJKYDDAYOEQS-UHFFFAOYSA-N 0 2 411.508 3.885 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCCCC[C@H]3[C@H]3CCCCC3=O)=N2)cc1 ZINC000500126630 1003488310 /nfs/dbraw/zinc/48/83/10/1003488310.db2.gz XKZAPJSJVLGACT-MOPGFXCFSA-N 0 2 411.502 3.731 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H]3CCCO[C@H]3c3ccc(C)cc3)=N2)cc1 ZINC000500150336 1003506766 /nfs/dbraw/zinc/50/67/66/1003506766.db2.gz UPIFKTKFWQLADR-UGKGYDQZSA-N 0 2 407.470 3.545 20 0 HHADLN NC(=O)CSc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000500154501 1003509997 /nfs/dbraw/zinc/50/99/97/1003509997.db2.gz TVYCPQRNCAPFIQ-UHFFFAOYSA-N 0 2 424.853 3.737 20 0 HHADLN Cc1cc(C(=O)NC2CCCCC2)ccc1NS(=O)(=O)c1cccc2c1OCO2 ZINC000509102830 1003554081 /nfs/dbraw/zinc/55/40/81/1003554081.db2.gz JFQPVDHLPMACCY-UHFFFAOYSA-N 0 2 416.499 3.587 20 0 HHADLN Cc1cc(C[C@H](C)NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)n(-c2ccccc2)n1 ZINC000500291315 1003603633 /nfs/dbraw/zinc/60/36/33/1003603633.db2.gz PSZDLHHTQSDMRY-HNNXBMFYSA-N 0 2 419.460 3.572 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC(=Cc4cccc(OC)c4)CC3)=N2)cc1 ZINC000500299782 1003608016 /nfs/dbraw/zinc/60/80/16/1003608016.db2.gz BTTZIIDYVHKJAZ-UHFFFAOYSA-N 0 2 419.481 3.915 20 0 HHADLN O=S(=O)(Nc1cnc(-c2ccccc2)nc1)c1cc(Br)ccc1F ZINC000500307636 1003613602 /nfs/dbraw/zinc/61/36/02/1003613602.db2.gz UQQKRIWBUZZSSH-UHFFFAOYSA-N 0 2 408.252 3.846 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cccc(SC)c2)nc1C(C)C ZINC000509211070 1003626707 /nfs/dbraw/zinc/62/67/07/1003626707.db2.gz LSKKRNXAOJPGKN-UHFFFAOYSA-N 0 2 400.547 3.966 20 0 HHADLN CSc1cccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c1 ZINC000509218407 1003631867 /nfs/dbraw/zinc/63/18/67/1003631867.db2.gz OLJJOUYQTBYWMG-QGZVFWFLSA-N 0 2 400.529 3.719 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cnc3ccccc3c2)nc1C1CCCC1 ZINC000509220100 1003633412 /nfs/dbraw/zinc/63/34/12/1003633412.db2.gz OXLCGRJBMQJTMN-UHFFFAOYSA-N 0 2 417.512 3.936 20 0 HHADLN CCOC(=O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000500335302 1003633620 /nfs/dbraw/zinc/63/36/20/1003633620.db2.gz YDFHOZIDTQNSNM-UHFFFAOYSA-N 0 2 402.241 3.566 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cccc3c2OCO3)sc1Cc1ccccc1F ZINC000509226695 1003638908 /nfs/dbraw/zinc/63/89/08/1003638908.db2.gz WVUQFFXGXMYQOD-UHFFFAOYSA-N 0 2 406.460 3.711 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](c3cccc(C)c3)c3ccccn3)=N2)cc1 ZINC000500398779 1003692873 /nfs/dbraw/zinc/69/28/73/1003692873.db2.gz OIRLOIRMNLSGAY-QFIPXVFZSA-N 0 2 414.465 3.809 20 0 HHADLN CCn1nccc1C1CCN(C(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)CC1 ZINC000509310352 1003699699 /nfs/dbraw/zinc/69/96/99/1003699699.db2.gz NMUYDAGUYRLKIV-UHFFFAOYSA-N 0 2 407.518 3.938 20 0 HHADLN CCc1nnc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)s1 ZINC000500479671 1003739884 /nfs/dbraw/zinc/73/98/84/1003739884.db2.gz BTILCKYVDPKWRX-UHFFFAOYSA-N 0 2 416.244 3.683 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCS[C@H](C)[C@H]3c3ccccc3)=N2)cc1 ZINC000500607508 1003824338 /nfs/dbraw/zinc/82/43/38/1003824338.db2.gz MDKPIJSPXNNHBY-VFNWGFHPSA-N 0 2 409.511 3.905 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(Cc2ccccn2)ccc1C ZINC000509397229 1003828035 /nfs/dbraw/zinc/82/80/35/1003828035.db2.gz RSHVEYPABGULAK-UHFFFAOYSA-N 0 2 414.483 3.778 20 0 HHADLN Cc1cc(COCC(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)on1 ZINC000509449230 1003870997 /nfs/dbraw/zinc/87/09/97/1003870997.db2.gz BTWNDLVOWNAULA-UHFFFAOYSA-N 0 2 422.466 3.871 20 0 HHADLN CCN(C(=O)c1c[nH]c2c(cnn2C)c1=O)[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000512035740 1003971069 /nfs/dbraw/zinc/97/10/69/1003971069.db2.gz XFPMBYJMTDLFEU-FQEVSTJZSA-N 0 2 419.460 3.768 20 0 HHADLN COc1ccc(CCN(Cc2ccccc2)C(=O)c2c[nH]c3c(cnn3C)c2=O)cc1 ZINC000512035475 1003971228 /nfs/dbraw/zinc/97/12/28/1003971228.db2.gz SLXAPUWCMFUHKH-UHFFFAOYSA-N 0 2 416.481 3.568 20 0 HHADLN O=S(=O)(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cccc(F)c1F ZINC000509615462 1003982447 /nfs/dbraw/zinc/98/24/47/1003982447.db2.gz CYXPULMPMVMQTG-UHFFFAOYSA-N 0 2 404.442 3.751 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2nc3c(ccc(F)c3F)s2)cn1 ZINC000500852925 1004003486 /nfs/dbraw/zinc/00/34/86/1004003486.db2.gz QATMMLVZFMSVNR-UHFFFAOYSA-N 0 2 422.438 3.570 20 0 HHADLN CCN(C(=O)c1c[nH]c2c(cnn2C)c1=O)[C@@H](c1ccc(C)cc1)c1cccnc1 ZINC000512079992 1004007313 /nfs/dbraw/zinc/00/73/13/1004007313.db2.gz UDYXQVNHLRDAOS-FQEVSTJZSA-N 0 2 401.470 3.629 20 0 HHADLN COC(=O)c1nccc2c1cccc2S(=O)(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000500864517 1004011351 /nfs/dbraw/zinc/01/13/51/1004011351.db2.gz QCDYGMRUMSFYRA-UHFFFAOYSA-N 0 2 412.254 3.524 20 0 HHADLN O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)C1=NN(c2ccc(F)cc2)CC1=O ZINC000509675080 1004021703 /nfs/dbraw/zinc/02/17/03/1004021703.db2.gz HTLUVZHWVHJGFF-GOSISDBHSA-N 0 2 409.465 3.836 20 0 HHADLN CCCCCn1nc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c2ccccc2c1=O ZINC000500923429 1004054049 /nfs/dbraw/zinc/05/40/49/1004054049.db2.gz JCZGMWBRBBQWHD-UHFFFAOYSA-N 0 2 420.448 3.763 20 0 HHADLN C[C@@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2c[nH]c3c(cnn3C)c2=O)C1 ZINC000512143630 1004055024 /nfs/dbraw/zinc/05/50/24/1004055024.db2.gz BQQLSHMVVVGAPW-BZNIZROVSA-N 0 2 404.392 3.916 20 0 HHADLN CO[C@@H](C)c1nsc(NCC2(c3ccc(Br)cc3)CCOCC2)n1 ZINC000509727344 1004055259 /nfs/dbraw/zinc/05/52/59/1004055259.db2.gz DFPSLCOAPBYWLW-LBPRGKRZSA-N 0 2 412.353 3.590 20 0 HHADLN C[C@@H]1CCN(C(=O)c2c[nH]c3c(cnn3C)c2=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000512160955 1004067654 /nfs/dbraw/zinc/06/76/54/1004067654.db2.gz TUIWMTAYPNJGOY-BZNIZROVSA-N 0 2 404.392 3.916 20 0 HHADLN Cc1nc(-c2cccc(C(=O)Nc3nc(-c4ccc(Br)cc4)n[nH]3)c2)n[nH]1 ZINC000512282258 1004184473 /nfs/dbraw/zinc/18/44/73/1004184473.db2.gz UMZBDUBBPPTDNQ-UHFFFAOYSA-N 0 2 424.262 3.580 20 0 HHADLN CC[C@H](C)C(=O)Nc1cccc(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)c1 ZINC000509963994 1004235710 /nfs/dbraw/zinc/23/57/10/1004235710.db2.gz NXVYDIOSIBHVRI-JTQLQIEISA-N 0 2 418.412 3.706 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3cn(-c4ccccc4)nc3C)cc2F)c1 ZINC000510082243 1004310507 /nfs/dbraw/zinc/31/05/07/1004310507.db2.gz DHYUONYECAYLJR-UHFFFAOYSA-N 0 2 411.462 3.615 20 0 HHADLN COc1cccc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)c1OC ZINC000512609739 1004423015 /nfs/dbraw/zinc/42/30/15/1004423015.db2.gz PSKKJRPVGBENCW-UHFFFAOYSA-N 0 2 405.501 3.573 20 0 HHADLN O=C(c1ccccc1SCc1cccs1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510250797 1004425321 /nfs/dbraw/zinc/42/53/21/1004425321.db2.gz GAEVGAHNZAJRTJ-CYBMUJFWSA-N 0 2 400.529 3.884 20 0 HHADLN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510255200 1004429011 /nfs/dbraw/zinc/42/90/11/1004429011.db2.gz RGUCNHLOZSEXNH-GFCCVEGCSA-N 0 2 403.895 3.615 20 0 HHADLN O=C(COc1ccc(Cl)cc1C1CCCCC1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510267258 1004436055 /nfs/dbraw/zinc/43/60/55/1004436055.db2.gz FCMIWDCDRCDMTD-HNNXBMFYSA-N 0 2 418.925 3.996 20 0 HHADLN O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510290908 1004455635 /nfs/dbraw/zinc/45/56/35/1004455635.db2.gz XOFVVJBHDUZBRB-LLVKDONJSA-N 0 2 411.512 3.868 20 0 HHADLN Cc1ccc(F)c(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1F ZINC000501495066 1004465817 /nfs/dbraw/zinc/46/58/17/1004465817.db2.gz DIHMQPDVEPEQRE-UHFFFAOYSA-N 0 2 409.439 3.783 20 0 HHADLN CC(=O)Nc1ccccc1CNc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000512663809 1004474598 /nfs/dbraw/zinc/47/45/98/1004474598.db2.gz QQRYQPUEWRWKDW-UHFFFAOYSA-N 0 2 402.501 3.514 20 0 HHADLN COCCOc1cccc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000512663987 1004474691 /nfs/dbraw/zinc/47/46/91/1004474691.db2.gz UEXUCVDBVXICIZ-UHFFFAOYSA-N 0 2 419.528 3.581 20 0 HHADLN COC(=O)[C@H]1CC[C@@H]1C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000512944492 1004714791 /nfs/dbraw/zinc/71/47/91/1004714791.db2.gz DIDLFYAUZJDCLR-IRXDYDNUSA-N 0 2 409.467 3.557 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)NC3(C(=O)Nc4ccccc4)CC3)=N2)c1 ZINC000501788539 1004731068 /nfs/dbraw/zinc/73/10/68/1004731068.db2.gz HQVHZLYLHONMDL-UHFFFAOYSA-N 0 2 404.470 3.602 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)c1 ZINC000501834891 1004766491 /nfs/dbraw/zinc/76/64/91/1004766491.db2.gz XEEMLXBOGAPGOX-UHFFFAOYSA-N 0 2 412.899 3.868 20 0 HHADLN O=C(CNC(=O)c1cccc(Br)c1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000501988543 1004848313 /nfs/dbraw/zinc/84/83/13/1004848313.db2.gz DWWZBBOJWLCURY-UHFFFAOYSA-N 0 2 418.074 3.830 20 0 HHADLN CC(C)c1cccc(N(C)C(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)c1 ZINC000502000578 1004854759 /nfs/dbraw/zinc/85/47/59/1004854759.db2.gz UVNZFZWSPFFCDV-UHFFFAOYSA-N 0 2 418.544 3.682 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)c1F ZINC000513459314 1004975677 /nfs/dbraw/zinc/97/56/77/1004975677.db2.gz ZJKBPKWVTCAAAW-UHFFFAOYSA-N 0 2 400.479 3.920 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)cc1OC ZINC000502405274 1005060766 /nfs/dbraw/zinc/06/07/66/1005060766.db2.gz OJOWAHWQYSPETI-AWEZNQCLSA-N 0 2 423.510 3.726 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000502409174 1005063415 /nfs/dbraw/zinc/06/34/15/1005063415.db2.gz GQDDBZPNAJUEOU-UHFFFAOYSA-N 0 2 421.368 3.831 20 0 HHADLN Cc1nn(C)c2ncc(S(=O)(=O)Nc3cccnc3Nc3ccc(C)cc3)cc12 ZINC000502464646 1005083924 /nfs/dbraw/zinc/08/39/24/1005083924.db2.gz OMCUMEZTNGOYME-UHFFFAOYSA-N 0 2 408.487 3.525 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccnc1Nc1ccc(C)cc1 ZINC000502468260 1005085061 /nfs/dbraw/zinc/08/50/61/1005085061.db2.gz ZOEIXLGQQDXJCR-UHFFFAOYSA-N 0 2 415.471 3.931 20 0 HHADLN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000513819922 1005143654 /nfs/dbraw/zinc/14/36/54/1005143654.db2.gz GLVLOXCRCCGACD-UHFFFAOYSA-N 0 2 416.430 3.909 20 0 HHADLN CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1Cl ZINC000511720775 1005292190 /nfs/dbraw/zinc/29/21/90/1005292190.db2.gz CJAAQHSMEHSCPN-UHFFFAOYSA-N 0 2 422.812 3.741 20 0 HHADLN CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 ZINC000503195196 1005366257 /nfs/dbraw/zinc/36/62/57/1005366257.db2.gz WAPUDHXPYMILJT-UHFFFAOYSA-N 0 2 402.451 3.593 20 0 HHADLN CSc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000503209880 1005369240 /nfs/dbraw/zinc/36/92/40/1005369240.db2.gz VOBINXKNIJWWFR-QGZVFWFLSA-N 0 2 400.529 3.719 20 0 HHADLN COc1cc(O)cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)c1 ZINC000504015522 1005533023 /nfs/dbraw/zinc/53/30/23/1005533023.db2.gz HNJPCGSXOZJUHY-UHFFFAOYSA-N 0 2 410.648 3.757 20 0 HHADLN CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)[nH]n1 ZINC000504043135 1005539507 /nfs/dbraw/zinc/53/95/07/1005539507.db2.gz PGRPIUOEMIMPCU-AWEZNQCLSA-N 0 2 413.503 3.761 20 0 HHADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1ccccc1OCC(C)C ZINC000534145324 1006125110 /nfs/dbraw/zinc/12/51/10/1006125110.db2.gz QEYVQERAKZURSN-UHFFFAOYSA-N 0 2 418.515 3.879 20 0 HHADLN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC ZINC000534146891 1006126780 /nfs/dbraw/zinc/12/67/80/1006126780.db2.gz CVMKDGYYNVJLSH-UHFFFAOYSA-N 0 2 410.879 3.507 20 0 HHADLN O=S(=O)(Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000531356264 1006146557 /nfs/dbraw/zinc/14/65/57/1006146557.db2.gz YIMYGAHRUVGYSF-UHFFFAOYSA-N 0 2 411.483 3.712 20 0 HHADLN CN1C(=O)c2ccc(NS(=O)(=O)c3c(Cl)ccc4ccccc43)cc2C1=O ZINC000534204978 1006197541 /nfs/dbraw/zinc/19/75/41/1006197541.db2.gz KADQZNZSRHAQHV-UHFFFAOYSA-N 0 2 400.843 3.520 20 0 HHADLN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)C1 ZINC000531468786 1006216556 /nfs/dbraw/zinc/21/65/56/1006216556.db2.gz GQISXIJAEMKTGG-AUPSIVQCSA-N 0 2 403.548 3.511 20 0 HHADLN CCOc1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1CO ZINC000534226724 1006224267 /nfs/dbraw/zinc/22/42/67/1006224267.db2.gz RMXHWNCPRBIHRK-UHFFFAOYSA-N 0 2 416.275 3.983 20 0 HHADLN CCOC(=O)c1sc2ncc(S(=O)(=O)Nc3ccc(C)nc3C)cc2c1C ZINC000531517346 1006245487 /nfs/dbraw/zinc/24/54/87/1006245487.db2.gz ZRECCVMYDZPLNI-UHFFFAOYSA-N 0 2 405.501 3.594 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NC[C@H](CCO)c1ccccc1 ZINC000515020481 1006254754 /nfs/dbraw/zinc/25/47/54/1006254754.db2.gz WINIXJFLHHPGKK-HNNXBMFYSA-N 0 2 402.907 3.568 20 0 HHADLN CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc4c(ccc(F)c4F)s3)cc21 ZINC000534306402 1006289773 /nfs/dbraw/zinc/28/97/73/1006289773.db2.gz KPUCFTVWWZBOLJ-UHFFFAOYSA-N 0 2 409.439 3.605 20 0 HHADLN CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cn1 ZINC000531768258 1006410881 /nfs/dbraw/zinc/41/08/81/1006410881.db2.gz WNQHPAWHCGHFKE-UHFFFAOYSA-N 0 2 408.785 3.731 20 0 HHADLN COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1cccc2ccncc21 ZINC000531780575 1006421579 /nfs/dbraw/zinc/42/15/79/1006421579.db2.gz QVHXCVZSQSSMKA-UHFFFAOYSA-N 0 2 421.272 3.585 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)n(-c2ccccc2C)n1 ZINC000531857314 1006478238 /nfs/dbraw/zinc/47/82/38/1006478238.db2.gz UMHJFKAZJXXHFJ-UHFFFAOYSA-N 0 2 410.499 3.520 20 0 HHADLN Cc1ccc(OCc2cccc(C(=O)N=c3nc(-c4cccnc4)[nH]s3)c2)cn1 ZINC000534493364 1006490915 /nfs/dbraw/zinc/49/09/15/1006490915.db2.gz ILHMJKFZNMZELC-UHFFFAOYSA-N 0 2 403.467 3.557 20 0 HHADLN COc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccccc1-c1ccccc1 ZINC000515692839 1006593199 /nfs/dbraw/zinc/59/31/99/1006593199.db2.gz JZSCYDUOCVZLPB-UHFFFAOYSA-N 0 2 410.495 3.865 20 0 HHADLN COc1cc(Br)ccc1C(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000515709702 1006606358 /nfs/dbraw/zinc/60/63/58/1006606358.db2.gz FJRQHYABGCEDFT-UHFFFAOYSA-N 0 2 403.236 3.509 20 0 HHADLN CC[C@H](C)[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000532155320 1006679953 /nfs/dbraw/zinc/67/99/53/1006679953.db2.gz SNFQOXGUJHDRBW-WMLDXEAASA-N 0 2 407.561 3.985 20 0 HHADLN Cc1c([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)nnn1-c1ccc(C)cc1 ZINC000532188572 1006707052 /nfs/dbraw/zinc/70/70/52/1006707052.db2.gz QRUNKYWQHHKFBO-RXVVDRJESA-N 0 2 424.618 3.585 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cccc3ccncc32)cc1Br ZINC000532291278 1006775191 /nfs/dbraw/zinc/77/51/91/1006775191.db2.gz OZKMQFXHYDJPTP-UHFFFAOYSA-N 0 2 423.288 3.815 20 0 HHADLN COc1ccccc1[C@H](NC(=O)N=c1nc(-c2ccccc2)[nH]s1)c1ccccn1 ZINC000534821389 1006831103 /nfs/dbraw/zinc/83/11/03/1006831103.db2.gz YLHKBHIETQYHMU-IBGZPJMESA-N 0 2 417.494 3.942 20 0 HHADLN COc1ccc(Cl)c(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000532410689 1006856026 /nfs/dbraw/zinc/85/60/26/1006856026.db2.gz VVKGJZAHMXCKCU-UHFFFAOYSA-N 0 2 423.903 3.858 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc(Cl)c1F ZINC000532433385 1006876944 /nfs/dbraw/zinc/87/69/44/1006876944.db2.gz ABUOCZYLSKUITR-UHFFFAOYSA-N 0 2 411.867 3.989 20 0 HHADLN O=C(NCc1ccccc1)c1cccc(NS(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000534973607 1007030778 /nfs/dbraw/zinc/03/07/78/1007030778.db2.gz WJFGOVDNYRDPHB-UHFFFAOYSA-N 0 2 420.412 3.835 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)c(C)c1 ZINC000538753268 1007039381 /nfs/dbraw/zinc/03/93/81/1007039381.db2.gz BVOYGMFFQJJLJG-UHFFFAOYSA-N 0 2 424.588 3.961 20 0 HHADLN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cc(Cl)ccc1OC(C)C ZINC000516358772 1007039624 /nfs/dbraw/zinc/03/96/24/1007039624.db2.gz XWDYSCIYSJSVGB-UHFFFAOYSA-N 0 2 401.843 3.854 20 0 HHADLN O=S(=O)(Nc1ccccc1NC1CCCCC1)c1cnn(C2CCOCC2)c1 ZINC000535025327 1007070427 /nfs/dbraw/zinc/07/04/27/1007070427.db2.gz AXAKZOVBWORPAD-UHFFFAOYSA-N 0 2 404.536 3.780 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cnc(-c4ccccc4)s3)cc21 ZINC000535067675 1007090120 /nfs/dbraw/zinc/09/01/20/1007090120.db2.gz WYOSRZUTZMCFRE-UHFFFAOYSA-N 0 2 413.524 3.910 20 0 HHADLN O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000538825590 1007098971 /nfs/dbraw/zinc/09/89/71/1007098971.db2.gz CNYULBQYMPDXRD-UHFFFAOYSA-N 0 2 415.453 3.852 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000516657985 1007212397 /nfs/dbraw/zinc/21/23/97/1007212397.db2.gz NEVJUBGGHWSZOM-CABCVRRESA-N 0 2 404.923 3.846 20 0 HHADLN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@@H]([N@H+](C)Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000516836934 1007317249 /nfs/dbraw/zinc/31/72/49/1007317249.db2.gz HBHOMFYYQXKSJS-QGZVFWFLSA-N 0 2 421.280 3.764 20 0 HHADLN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@@H]([N@@H+](C)Cc2cc(Cl)cc(Cl)c2)C1=O ZINC000516836934 1007317261 /nfs/dbraw/zinc/31/72/61/1007317261.db2.gz HBHOMFYYQXKSJS-QGZVFWFLSA-N 0 2 421.280 3.764 20 0 HHADLN O=c1[n-]c(C2CC[NH+](Cc3csc(COc4ccc(Cl)cc4)n3)CC2)n[nH]1 ZINC000516890999 1007332633 /nfs/dbraw/zinc/33/26/33/1007332633.db2.gz YYTZJHNZZODFJM-UHFFFAOYSA-N 0 2 405.911 3.579 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)ns2)c(Cl)c1 ZINC000517053784 1007384714 /nfs/dbraw/zinc/38/47/14/1007384714.db2.gz RTPMGVZDTCPOBO-UHFFFAOYSA-N 0 2 416.311 3.743 20 0 HHADLN Cn1cc(NS(=O)(=O)c2cc(Br)ccc2F)c(-c2ccccc2)n1 ZINC000539113282 1007400307 /nfs/dbraw/zinc/40/03/07/1007400307.db2.gz PCJXMXHVWHTFMY-UHFFFAOYSA-N 0 2 410.268 3.790 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cc(C(=O)N3CCSCC3)ccc2C)sc1C ZINC000539117239 1007404471 /nfs/dbraw/zinc/40/44/71/1007404471.db2.gz IDKZUIALBTXSIL-UHFFFAOYSA-N 0 2 410.586 3.663 20 0 HHADLN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cc(Cc2ccccc2)ccc1O ZINC000535400484 1007467214 /nfs/dbraw/zinc/46/72/14/1007467214.db2.gz KHNXXTQPOICJKP-UHFFFAOYSA-N 0 2 415.442 3.710 20 0 HHADLN COCCOc1cc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)nc2ccccc21 ZINC000535481529 1007542292 /nfs/dbraw/zinc/54/22/92/1007542292.db2.gz ZKRHPGHGZTZTEW-UHFFFAOYSA-N 0 2 423.860 3.951 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(F)cc2)o1)c1ccc(Cl)cc1Cl ZINC000517428507 1007650692 /nfs/dbraw/zinc/65/06/92/1007650692.db2.gz PKHYHPCEETTXNC-UHFFFAOYSA-N 0 2 402.234 3.907 20 0 HHADLN O=S(=O)(c1cccc2cnccc21)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000535764553 1007777797 /nfs/dbraw/zinc/77/77/97/1007777797.db2.gz XAOJCMMDUGGASD-SFHVURJKSA-N 0 2 405.483 3.546 20 0 HHADLN O=S(=O)(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(F)ccc1F ZINC000517611307 1007815050 /nfs/dbraw/zinc/81/50/50/1007815050.db2.gz HFDNHAKHRMZDEV-UHFFFAOYSA-N 0 2 422.375 3.621 20 0 HHADLN COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc4c(cccc4C)s3)cc2)CC1 ZINC000539549290 1007861270 /nfs/dbraw/zinc/86/12/70/1007861270.db2.gz MAQICRKUOUCOGN-UHFFFAOYSA-N 0 2 402.497 3.610 20 0 HHADLN Cc1cc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)nc(-c2ccc(Cl)cc2)n1 ZINC000535937556 1007967356 /nfs/dbraw/zinc/96/73/56/1007967356.db2.gz OHPQRGWAGMIQDV-UHFFFAOYSA-N 0 2 408.874 3.693 20 0 HHADLN CNC(=O)CCOc1ccc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)cc1 ZINC000517921595 1008058167 /nfs/dbraw/zinc/05/81/67/1008058167.db2.gz PWXNIZXSAVAYEY-UHFFFAOYSA-N 0 2 417.314 3.618 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1cccc(Br)c1F ZINC000517974129 1008081441 /nfs/dbraw/zinc/08/14/41/1008081441.db2.gz WKTPWRXOWGUPIY-UHFFFAOYSA-N 0 2 420.310 3.969 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cccc(C)c3Br)s[nH]2)c1 ZINC000536069632 1008097263 /nfs/dbraw/zinc/09/72/63/1008097263.db2.gz PYULUVCFXULHQM-UHFFFAOYSA-N 0 2 404.289 3.959 20 0 HHADLN COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1Cl ZINC000534007900 1008263488 /nfs/dbraw/zinc/26/34/88/1008263488.db2.gz DPIQUBXGGUHVPX-MRXNPFEDSA-N 0 2 418.906 3.660 20 0 HHADLN CC(=O)CCc1ccc(OCC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1 ZINC000518367925 1008277980 /nfs/dbraw/zinc/27/79/80/1008277980.db2.gz CLXUCQDFLYCKSN-UHFFFAOYSA-N 0 2 415.902 3.820 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3scnc3-c3ccccc3)cc21 ZINC000540206753 1008335544 /nfs/dbraw/zinc/33/55/44/1008335544.db2.gz WXVNBLKSTCJUMZ-UHFFFAOYSA-N 0 2 413.524 3.910 20 0 HHADLN CC(C)Oc1ccc(S(=O)(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)cc1 ZINC000540208407 1008336240 /nfs/dbraw/zinc/33/62/40/1008336240.db2.gz OCANFQWMBMCYBA-UHFFFAOYSA-N 0 2 406.895 3.568 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2C)sc1C ZINC000540209842 1008336914 /nfs/dbraw/zinc/33/69/14/1008336914.db2.gz RRHBGVJCLHCVKS-UHFFFAOYSA-N 0 2 416.590 3.551 20 0 HHADLN COc1cc(NC(=O)c2cccc(Br)c2O)ccc1N1CCCC1=O ZINC000518544497 1008343362 /nfs/dbraw/zinc/34/33/62/1008343362.db2.gz UXDYTMJLFWOUFC-UHFFFAOYSA-N 0 2 405.248 3.542 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2c(C)n(C)c3ccccc32)sc1C(C)C ZINC000518826868 1008436155 /nfs/dbraw/zinc/43/61/55/1008436155.db2.gz FDBQRMMNJUTGED-UHFFFAOYSA-N 0 2 407.517 3.654 20 0 HHADLN Cc1cc(C(=O)CS(=O)(=O)[C@@H](C)c2ccc(OC(F)(F)F)cc2)c(C)n1C ZINC000518915246 1008471927 /nfs/dbraw/zinc/47/19/27/1008471927.db2.gz GDTOGVLODBFTPZ-ZDUSSCGKSA-N 0 2 403.422 3.899 20 0 HHADLN Cc1n[nH]cc1S(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 ZINC000518917174 1008472559 /nfs/dbraw/zinc/47/25/59/1008472559.db2.gz FEWMIJBKKDSKBZ-UHFFFAOYSA-N 0 2 405.867 3.816 20 0 HHADLN O=S(=O)(Cc1ccc(F)cc1Cl)c1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000519074001 1008519690 /nfs/dbraw/zinc/51/96/90/1008519690.db2.gz ATFYDQDNUXVPBW-UHFFFAOYSA-N 0 2 416.261 3.804 20 0 HHADLN O=S(=O)(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cccc(Cl)c1F ZINC000519217310 1008621109 /nfs/dbraw/zinc/62/11/09/1008621109.db2.gz ACJCHKPWHUPMMD-UHFFFAOYSA-N 0 2 416.755 3.954 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc([C@H]3Cc4ccccc43)no2)cc1 ZINC000545579123 1008679709 /nfs/dbraw/zinc/67/97/09/1008679709.db2.gz CATVCAYWFRXKLV-INIZCTEOSA-N 0 2 410.480 3.682 20 0 HHADLN Cc1cc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)n(-c2ccc(F)cc2)n1 ZINC000543148686 1008722062 /nfs/dbraw/zinc/72/20/62/1008722062.db2.gz ZNOGNKJCIPGOJA-UHFFFAOYSA-N 0 2 405.499 3.590 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ncoc1-c1cccc(C(F)(F)F)c1 ZINC000543158430 1008731124 /nfs/dbraw/zinc/73/11/24/1008731124.db2.gz FXAZRIZDLXCRMH-UHFFFAOYSA-N 0 2 417.372 3.948 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cnn1-c1cccc(F)c1 ZINC000543163732 1008738434 /nfs/dbraw/zinc/73/84/34/1008738434.db2.gz FMTSCOKIDRQUEB-UHFFFAOYSA-N 0 2 416.478 3.723 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(Sc2nccn2C)cc1 ZINC000543163742 1008738469 /nfs/dbraw/zinc/73/84/69/1008738469.db2.gz AKERAXSMEAIEDR-UHFFFAOYSA-N 0 2 419.576 3.841 20 0 HHADLN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)C1 ZINC000519385671 1008779673 /nfs/dbraw/zinc/77/96/73/1008779673.db2.gz RLFIXIJKICQQDV-CYBMUJFWSA-N 0 2 406.939 3.504 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)Cc3ccccc3C)s2)c1 ZINC000545856027 1008942910 /nfs/dbraw/zinc/94/29/10/1008942910.db2.gz FMHDFULFLGUYPE-UHFFFAOYSA-N 0 2 416.524 3.771 20 0 HHADLN C[C@H](Cc1nnc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)o1)CC(C)(C)C ZINC000519683268 1008962772 /nfs/dbraw/zinc/96/27/72/1008962772.db2.gz POKKVMZGTSLQBA-GFCCVEGCSA-N 0 2 420.535 3.715 20 0 HHADLN C[C@@H](Cc1nnc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)o1)CC(C)(C)C ZINC000519683269 1008962988 /nfs/dbraw/zinc/96/29/88/1008962988.db2.gz POKKVMZGTSLQBA-LBPRGKRZSA-N 0 2 420.535 3.715 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cc(C4CC4)ccn3)cc2c1C ZINC000519736979 1008989063 /nfs/dbraw/zinc/98/90/63/1008989063.db2.gz ZNJOANOTLAXVDO-UHFFFAOYSA-N 0 2 400.456 3.991 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](COCC(C)C)c3ccco3)s[nH]2)c1 ZINC000543617480 1009222356 /nfs/dbraw/zinc/22/23/56/1009222356.db2.gz XUSMBUAGFSAKMM-INIZCTEOSA-N 0 2 416.503 3.764 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCCc3ccc(OC(F)F)cc3)s[nH]2)c1 ZINC000543620990 1009226912 /nfs/dbraw/zinc/22/69/12/1009226912.db2.gz ADSNMOYMQFJPPC-UHFFFAOYSA-N 0 2 420.441 3.601 20 0 HHADLN Cc1ccccc1Cc1noc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)n1 ZINC000546233133 1009257924 /nfs/dbraw/zinc/25/79/24/1009257924.db2.gz WDLDUZJKFOQLDF-UHFFFAOYSA-N 0 2 412.496 3.893 20 0 HHADLN C[C@H](O)C[C@H](CNC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccccc1 ZINC000543656346 1009262795 /nfs/dbraw/zinc/26/27/95/1009262795.db2.gz NFDAXNRSWOEXPN-XJKSGUPXSA-N 0 2 416.934 3.957 20 0 HHADLN COc1ccc2c(c1)CN(C(=O)N=c1nc(-c3cccc(Cl)c3)[nH]s1)CC2 ZINC000543656897 1009264626 /nfs/dbraw/zinc/26/46/26/1009264626.db2.gz NHCYXHNHGAZTNJ-UHFFFAOYSA-N 0 2 400.891 3.879 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@H](CCCO)c1ccccc1 ZINC000543658468 1009266922 /nfs/dbraw/zinc/26/69/22/1009266922.db2.gz OZQQVFKZEYWXFR-MRXNPFEDSA-N 0 2 402.907 3.916 20 0 HHADLN C[C@H]1CCCN(C(=O)C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)C1 ZINC000549648650 1009276352 /nfs/dbraw/zinc/27/63/52/1009276352.db2.gz ZFILXBDYKLSECZ-HNNXBMFYSA-N 0 2 422.510 3.616 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1nc(C2CCCC2)c(C(=O)OC)s1 ZINC000543686143 1009294796 /nfs/dbraw/zinc/29/47/96/1009294796.db2.gz YBXNGXHFKMFWIH-UHFFFAOYSA-N 0 2 410.517 3.535 20 0 HHADLN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000549730351 1009353980 /nfs/dbraw/zinc/35/39/80/1009353980.db2.gz GMKSWQFZVVZUDI-UHFFFAOYSA-N 0 2 408.849 3.886 20 0 HHADLN CCOCCCn1c([C@H](C)CC)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000549763051 1009379551 /nfs/dbraw/zinc/37/95/51/1009379551.db2.gz FGCLUYNPYSQMNQ-CYBMUJFWSA-N 0 2 404.540 3.565 20 0 HHADLN COc1ccccc1-c1nnc(N(C)Cc2nc(=O)c3sccc3[nH]2)n1CC(C)C ZINC000549819406 1009429134 /nfs/dbraw/zinc/42/91/34/1009429134.db2.gz NYUGDLFIGBXGAW-UHFFFAOYSA-N 0 2 424.530 3.956 20 0 HHADLN O=S(=O)(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccccc1-c1ccno1 ZINC000543865045 1009432616 /nfs/dbraw/zinc/43/26/16/1009432616.db2.gz OTXJHKPIVBYSPW-SFHVURJKSA-N 0 2 410.455 3.870 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1Nc1ccccc1F)c1cnn([C@@H]2CCOC2)c1 ZINC000543951225 1009550753 /nfs/dbraw/zinc/55/07/53/1009550753.db2.gz CPMXPUYSYKTPEH-CQSZACIVSA-N 0 2 420.441 3.667 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ccc(Oc4ccc(F)cc4)nc3)cc12 ZINC000546537145 1009559109 /nfs/dbraw/zinc/55/91/09/1009559109.db2.gz FJUZXNJGXBFKCN-UHFFFAOYSA-N 0 2 414.418 3.912 20 0 HHADLN COC(=O)COc1cccc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)c1 ZINC000520501207 1009595941 /nfs/dbraw/zinc/59/59/41/1009595941.db2.gz HHOJPCXDOBKMSO-UHFFFAOYSA-N 0 2 404.271 3.654 20 0 HHADLN COc1cc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)ccc1Br ZINC000544098668 1009708413 /nfs/dbraw/zinc/70/84/13/1009708413.db2.gz NUVUJTBMZFJUPE-UHFFFAOYSA-N 0 2 416.341 3.728 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)[C@@H](CC(C)C)NC(=O)c1ccccc1C ZINC000550118914 1009711667 /nfs/dbraw/zinc/71/16/67/1009711667.db2.gz WGKDIFAYCBFISG-LJQANCHMSA-N 0 2 421.501 3.577 20 0 HHADLN CCc1cc(NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)nc(C)n1 ZINC000546877684 1009838933 /nfs/dbraw/zinc/83/89/33/1009838933.db2.gz NSTWWAZLOBIBLS-UHFFFAOYSA-N 0 2 407.442 3.945 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000546886286 1009847175 /nfs/dbraw/zinc/84/71/75/1009847175.db2.gz OJQHPWRYXGPVLX-UHFFFAOYSA-N 0 2 403.323 3.594 20 0 HHADLN COc1ccc(C(=O)C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1Cl ZINC000546890520 1009850607 /nfs/dbraw/zinc/85/06/07/1009850607.db2.gz ACLPVKKWSJRMKG-UHFFFAOYSA-N 0 2 408.266 3.764 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1CC ZINC000550424637 1009926438 /nfs/dbraw/zinc/92/64/38/1009926438.db2.gz FFCLKEKNWCTPRJ-HUUCEWRRSA-N 0 2 423.604 3.678 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3C[C@@H](C)C[C@H]3c3cccc(OC)c3)=N2)cc1 ZINC000544322166 1009946348 /nfs/dbraw/zinc/94/63/48/1009946348.db2.gz KNJIZGVTTWAENL-YWZLYKJASA-N 0 2 407.470 3.818 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)c1C ZINC000520925265 1009979648 /nfs/dbraw/zinc/97/96/48/1009979648.db2.gz XQXHDRFBPSLCBD-UHFFFAOYSA-N 0 2 416.402 3.609 20 0 HHADLN CC(=O)N[C@@H](CC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1cccs1 ZINC000520971001 1010014687 /nfs/dbraw/zinc/01/46/87/1010014687.db2.gz RIJLHFLTGGDECG-ZDUSSCGKSA-N 0 2 406.920 3.548 20 0 HHADLN COC(=O)C12CCC(C(=O)N=c3nc(-c4cccc(Cl)c4)[nH]s3)(CC1)CC2 ZINC000550572380 1010036910 /nfs/dbraw/zinc/03/69/10/1010036910.db2.gz WMKLSDKSCOFVKI-UHFFFAOYSA-N 0 2 405.907 3.733 20 0 HHADLN COc1cc(NC(=O)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc2cccnc21 ZINC000550661346 1010088144 /nfs/dbraw/zinc/08/81/44/1010088144.db2.gz AUZVLDMVTLCSCX-UHFFFAOYSA-N 0 2 406.225 3.833 20 0 HHADLN O=C(CCc1nc(-c2ccsc2)no1)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000521085185 1010101215 /nfs/dbraw/zinc/10/12/15/1010101215.db2.gz GQFLMYXQWBEYCW-UHFFFAOYSA-N 0 2 417.903 3.963 20 0 HHADLN O=C(N=c1nc(Sc2ccccc2)[n-]s1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000521118434 1010139865 /nfs/dbraw/zinc/13/98/65/1010139865.db2.gz UPSNFBZJGSSYQN-OAHLLOKOSA-N 0 2 415.544 3.663 20 0 HHADLN Cc1ccc(Cl)cc1S(=O)(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000550832644 1010207404 /nfs/dbraw/zinc/20/74/04/1010207404.db2.gz YZMTVZMSLJAKOQ-STQMWFEESA-N 0 2 415.968 3.515 20 0 HHADLN Cc1ccc(Cl)cc1S(=O)(=O)Nc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000550832642 1010207765 /nfs/dbraw/zinc/20/77/65/1010207765.db2.gz YZMTVZMSLJAKOQ-BETUJISGSA-N 0 2 415.968 3.515 20 0 HHADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc(NC(=O)C(C)(C)C)cc3)o2)s1 ZINC000521183605 1010215826 /nfs/dbraw/zinc/21/58/26/1010215826.db2.gz OVORLBIMMVIDMF-UHFFFAOYSA-N 0 2 420.516 3.892 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](C)c3ccccc3-n3cccn3)s[nH]2)c1 ZINC000544593339 1010219188 /nfs/dbraw/zinc/21/91/88/1010219188.db2.gz FFCASIJIPIMCBC-CQSZACIVSA-N 0 2 420.498 3.704 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](c3ccccc3)[C@H]3CCCO3)s[nH]2)c1 ZINC000544596324 1010222428 /nfs/dbraw/zinc/22/24/28/1010222428.db2.gz VKBWIBWJICOUKZ-MSOLQXFVSA-N 0 2 410.499 3.677 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCO4)s[nH]2)c1 ZINC000544600464 1010226706 /nfs/dbraw/zinc/22/67/06/1010226706.db2.gz WYLMHISFEHQMLO-MRXNPFEDSA-N 0 2 424.482 3.733 20 0 HHADLN O=S(=O)(Nc1cccc2ncccc21)c1cc(Br)cc2c1OCC2 ZINC000544621216 1010244565 /nfs/dbraw/zinc/24/45/65/1010244565.db2.gz PPHBWZPTBFDKFI-UHFFFAOYSA-N 0 2 405.273 3.733 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cnn1CCC(C)C ZINC000521244762 1010250863 /nfs/dbraw/zinc/25/08/63/1010250863.db2.gz JDWYXOARKQKVHU-UHFFFAOYSA-N 0 2 404.536 3.522 20 0 HHADLN CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000547329321 1010255331 /nfs/dbraw/zinc/25/53/31/1010255331.db2.gz PLJPIABCHOUJGH-RHSMWYFYSA-N 0 2 423.560 3.868 20 0 HHADLN CC(=O)Nc1cccc(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c1 ZINC000544635021 1010257971 /nfs/dbraw/zinc/25/79/71/1010257971.db2.gz BMOCEAUUOXYOSD-UHFFFAOYSA-N 0 2 401.879 3.561 20 0 HHADLN COC[C@H](Cc1ccccc1)NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000544637291 1010261024 /nfs/dbraw/zinc/26/10/24/1010261024.db2.gz DBNMKUOCAIVRGE-AWEZNQCLSA-N 0 2 402.907 3.660 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc(Br)cc2Cl)nc2c1CCCC2 ZINC000544664980 1010284065 /nfs/dbraw/zinc/28/40/65/1010284065.db2.gz PBTARHBGEWJHJP-UHFFFAOYSA-N 0 2 416.728 3.881 20 0 HHADLN CC[C@H](C)Sc1ccc(NS(=O)(=O)[C@@H](C)C(=O)N(C)C)c(C(F)(F)F)c1 ZINC000551021143 1010322167 /nfs/dbraw/zinc/32/21/67/1010322167.db2.gz XMKWERIFYSJMAU-QWRGUYRKSA-N 0 2 412.499 3.814 20 0 HHADLN CC[C@@H](C)Sc1ccc(NS(=O)(=O)[C@@H](C)C(=O)N(C)C)c(C(F)(F)F)c1 ZINC000551021142 1010322510 /nfs/dbraw/zinc/32/25/10/1010322510.db2.gz XMKWERIFYSJMAU-MNOVXSKESA-N 0 2 412.499 3.814 20 0 HHADLN O=S(=O)([N-]c1cnccc1Oc1ccccc1)c1ccccc1Cn1cc[nH+]c1 ZINC000544741768 1010346974 /nfs/dbraw/zinc/34/69/74/1010346974.db2.gz FAUDPNLOQKGKBC-UHFFFAOYSA-N 0 2 406.467 3.920 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)CSCc1ccncc1 ZINC000521383163 1010347158 /nfs/dbraw/zinc/34/71/58/1010347158.db2.gz ICLMLTQMHCUAFX-HXUWFJFHSA-N 0 2 424.570 3.554 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CC(Cc4ccc(F)c(F)c4)C3)s[nH]2)c1 ZINC000547752678 1010413456 /nfs/dbraw/zinc/41/34/56/1010413456.db2.gz RRVVHPFVVPOETD-UHFFFAOYSA-N 0 2 416.453 3.620 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2[nH]nc(-c3ccccc3)c2C)c1 ZINC000544837588 1010427679 /nfs/dbraw/zinc/42/76/79/1010427679.db2.gz ZWGCCHQSFDVMLW-UHFFFAOYSA-N 0 2 422.304 3.957 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccc(OCC(F)(F)F)nc1 ZINC000521549171 1010455816 /nfs/dbraw/zinc/45/58/16/1010455816.db2.gz ICTXRHIVDYPNMX-UHFFFAOYSA-N 0 2 414.796 3.869 20 0 HHADLN CSc1nc(C)c(CCC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c(C)n1 ZINC000521550891 1010457107 /nfs/dbraw/zinc/45/71/07/1010457107.db2.gz GLMIGAHVLOHRNV-UHFFFAOYSA-N 0 2 419.963 3.980 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000548043004 1010511642 /nfs/dbraw/zinc/51/16/42/1010511642.db2.gz CGFZWYPGNAWECG-UHFFFAOYSA-N 0 2 416.469 3.760 20 0 HHADLN CCCc1ccc(Cl)c(S(=O)(=O)Nc2c(-c3nc(C4CC4)no3)cnn2C)c1 ZINC000551386408 1010553945 /nfs/dbraw/zinc/55/39/45/1010553945.db2.gz MGVKJKFPAIWQSZ-UHFFFAOYSA-N 0 2 421.910 3.754 20 0 HHADLN O=S(=O)(Nc1nsc(-c2ccccc2)n1)c1ccc(OC(F)F)c(F)c1 ZINC000551388291 1010555541 /nfs/dbraw/zinc/55/55/41/1010555541.db2.gz GNAYSCMVZQILPH-UHFFFAOYSA-N 0 2 401.391 3.746 20 0 HHADLN O=S(=O)([N-]c1cc(C2CC2)nn1-c1ccccc1)c1ccccc1Cn1cc[nH+]c1 ZINC000545381473 1010764654 /nfs/dbraw/zinc/76/46/54/1010764654.db2.gz HYUQAZFJUBOCHM-UHFFFAOYSA-N 0 2 419.510 3.795 20 0 HHADLN Cc1nc(-c2cnn(C)c2)sc1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000522302503 1010917350 /nfs/dbraw/zinc/91/73/50/1010917350.db2.gz BPVZQHOOYWIQBA-UHFFFAOYSA-N 0 2 416.919 3.698 20 0 HHADLN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)c(C)c1 ZINC000522358081 1010955083 /nfs/dbraw/zinc/95/50/83/1010955083.db2.gz QYOMEMSPBKTRBJ-AWEZNQCLSA-N 0 2 406.552 3.718 20 0 HHADLN CCc1cc(=O)[nH]c(-c2cccc(NS(=O)(=O)c3c(C)nn(C(C)C)c3C)c2)n1 ZINC000522358624 1010955160 /nfs/dbraw/zinc/95/51/60/1010955160.db2.gz FVBVEQWLPPFVIK-UHFFFAOYSA-N 0 2 415.519 3.607 20 0 HHADLN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2C(=O)c2cccs2)c1 ZINC000536120027 1011239389 /nfs/dbraw/zinc/23/93/89/1011239389.db2.gz IRRVHFCFYHYNKF-UHFFFAOYSA-N 0 2 415.492 3.731 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3ncccc3-c3ccccc3)cc2C[C@H]1C ZINC000536125795 1011248442 /nfs/dbraw/zinc/24/84/42/1011248442.db2.gz PAFYZJOPSDZCND-OAHLLOKOSA-N 0 2 407.495 3.847 20 0 HHADLN O=C(CCCNS(=O)(=O)c1ccc(F)cc1)Nc1cc(Cl)cc(Cl)c1O ZINC000540621709 1011272954 /nfs/dbraw/zinc/27/29/54/1011272954.db2.gz IBGIZCVBVQRYFH-UHFFFAOYSA-N 0 2 421.277 3.535 20 0 HHADLN COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc4c(ccc(F)c4C)s3)cc2)CC1 ZINC000540649944 1011302099 /nfs/dbraw/zinc/30/20/99/1011302099.db2.gz KATXQTVSLHKBGQ-UHFFFAOYSA-N 0 2 420.487 3.749 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)=N1 ZINC000536251376 1011408529 /nfs/dbraw/zinc/40/85/29/1011408529.db2.gz XDFREFRZVKUOPY-KRWDZBQOSA-N 0 2 415.852 3.972 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000536264280 1011432514 /nfs/dbraw/zinc/43/25/14/1011432514.db2.gz OMBAKHQPFKYWRP-MRXNPFEDSA-N 0 2 401.513 3.564 20 0 HHADLN CC[N@H+]1Cc2c(C(=O)[O-])c3ccccc3nc2/C(=C/c2ccc(-n3cncn3)cc2)C1 ZINC000522990550 1011442694 /nfs/dbraw/zinc/44/26/94/1011442694.db2.gz YEZBNAAZCAUZOQ-GZTJUZNOSA-N 0 2 411.465 3.890 20 0 HHADLN CC[N@@H+]1Cc2c(C(=O)[O-])c3ccccc3nc2/C(=C/c2ccc(-n3cncn3)cc2)C1 ZINC000522990550 1011442702 /nfs/dbraw/zinc/44/27/02/1011442702.db2.gz YEZBNAAZCAUZOQ-GZTJUZNOSA-N 0 2 411.465 3.890 20 0 HHADLN O=C(Cc1ccncc1)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000540925359 1011589616 /nfs/dbraw/zinc/58/96/16/1011589616.db2.gz SMHJPMWGVVYGGW-UHFFFAOYSA-N 0 2 419.865 3.856 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)cnn1-c1ccccc1 ZINC000541166008 1011836216 /nfs/dbraw/zinc/83/62/16/1011836216.db2.gz YEJQLDROAMOKPW-UHFFFAOYSA-N 0 2 424.526 3.535 20 0 HHADLN O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000551775642 1011936619 /nfs/dbraw/zinc/93/66/19/1011936619.db2.gz JBBJFAQFCKXHLM-UHFFFAOYSA-N 0 2 404.495 3.718 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ncn(C2CCCCC2)n1 ZINC000541289190 1011986133 /nfs/dbraw/zinc/98/61/33/1011986133.db2.gz SJDYIFKLXWNMPC-UHFFFAOYSA-N 0 2 420.516 3.585 20 0 HHADLN O=S(=O)(Nc1ncn(C2CCCCC2)n1)c1ccc(OCC(F)(F)F)cc1 ZINC000541290810 1011990197 /nfs/dbraw/zinc/99/01/97/1011990197.db2.gz NCEDDTRDDZMKKJ-UHFFFAOYSA-N 0 2 404.414 3.525 20 0 HHADLN O=S(=O)(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1ccc(OCC(F)F)cc1 ZINC000541290389 1011990246 /nfs/dbraw/zinc/99/02/46/1011990246.db2.gz NEADUFDOTUFZMZ-UHFFFAOYSA-N 0 2 415.368 3.800 20 0 HHADLN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(s2)CSCC3)cc1 ZINC000551951577 1012032047 /nfs/dbraw/zinc/03/20/47/1012032047.db2.gz CMQRZWAVIROYNK-UHFFFAOYSA-N 0 2 411.574 3.718 20 0 HHADLN COC(=O)[C@@H](CS(=O)(=O)Nc1cnc(-c2ccccc2)s1)c1ccccc1 ZINC000552031393 1012056073 /nfs/dbraw/zinc/05/60/73/1012056073.db2.gz IDLSQGRFHHROST-INIZCTEOSA-N 0 2 402.497 3.509 20 0 HHADLN CN(C[C@@H]1CC=CCC1)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000541469012 1012234886 /nfs/dbraw/zinc/23/48/86/1012234886.db2.gz UXRNUKNHAINNOQ-CQSZACIVSA-N 0 2 406.533 3.764 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000523727174 1012341260 /nfs/dbraw/zinc/34/12/60/1012341260.db2.gz GKGXXGWCPOBGKI-UHFFFAOYSA-N 0 2 409.562 3.884 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000523772481 1012411709 /nfs/dbraw/zinc/41/17/09/1012411709.db2.gz LWJNYCMXRKEZBK-UHFFFAOYSA-N 0 2 404.458 3.966 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(F)ccc2F)cc(OC)c1Br ZINC000537195467 1012612413 /nfs/dbraw/zinc/61/24/13/1012612413.db2.gz ADUWPOBSGDTESK-UHFFFAOYSA-N 0 2 408.220 3.545 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2cccc(-c3nc4ccccc4n3C)c2)c1 ZINC000537197268 1012614642 /nfs/dbraw/zinc/61/46/42/1012614642.db2.gz VHSBEQNGINIBID-UHFFFAOYSA-N 0 2 409.467 3.755 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC[C@@H]3Cc3ccccc3OC)s[nH]2)c1 ZINC000541758871 1012619023 /nfs/dbraw/zinc/61/90/23/1012619023.db2.gz SHZBTSXSNBYADH-QGZVFWFLSA-N 0 2 424.526 3.883 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NC3(c4nc(C)cs4)CCC3)s[nH]2)c1 ZINC000541758646 1012619118 /nfs/dbraw/zinc/61/91/18/1012619118.db2.gz KYKOQNCBCLDULX-UHFFFAOYSA-N 0 2 401.517 3.601 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC[C@H]3Cc3ccccc3OC)s[nH]2)c1 ZINC000541758870 1012619528 /nfs/dbraw/zinc/61/95/28/1012619528.db2.gz SHZBTSXSNBYADH-KRWDZBQOSA-N 0 2 424.526 3.883 20 0 HHADLN COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552629049 1012631216 /nfs/dbraw/zinc/63/12/16/1012631216.db2.gz AIRWTNVUUOBCOV-UHFFFAOYSA-N 0 2 409.833 3.882 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000541797702 1012674021 /nfs/dbraw/zinc/67/40/21/1012674021.db2.gz YNMPLVKIJRVIRN-LSDHHAIUSA-N 0 2 402.911 3.782 20 0 HHADLN CN(Cc1ccc2c(c1)OCCO2)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000541798255 1012675572 /nfs/dbraw/zinc/67/55/72/1012675572.db2.gz IFJAFDMVZCGIEJ-UHFFFAOYSA-N 0 2 416.890 3.716 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccc2)cc1OCC ZINC000524049982 1012802857 /nfs/dbraw/zinc/80/28/57/1012802857.db2.gz CQYVNRLRHNSGMN-UHFFFAOYSA-N 0 2 401.488 3.530 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3nc4ccc(Cl)cc4s3)c(F)cc2N1 ZINC000524050546 1012803974 /nfs/dbraw/zinc/80/39/74/1012803974.db2.gz YIIKEFZHFVOORZ-UHFFFAOYSA-N 0 2 411.867 3.774 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3[C@H](C)Cc4cc(OC)ccc4[C@H]3C)=N2)cc1 ZINC000541992857 1012869745 /nfs/dbraw/zinc/86/97/45/1012869745.db2.gz MKGOQQNTDQGQMO-HUUCEWRRSA-N 0 2 407.470 3.743 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)cn1)c1ccccc1 ZINC000541998673 1012878075 /nfs/dbraw/zinc/87/80/75/1012878075.db2.gz LJZRWDYDPJZNRV-UHFFFAOYSA-N 0 2 422.388 3.549 20 0 HHADLN CC(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c(F)c1 ZINC000537469431 1012974199 /nfs/dbraw/zinc/97/41/99/1012974199.db2.gz XWVVMUSRYKSBKT-UHFFFAOYSA-N 0 2 419.459 3.538 20 0 HHADLN C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)[C@@H]2CCCC[C@@H]21 ZINC000542061364 1012978976 /nfs/dbraw/zinc/97/89/76/1012978976.db2.gz WDBJFTRQCNEGRO-KBRIMQKVSA-N 0 2 405.545 3.595 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000524188304 1012991031 /nfs/dbraw/zinc/99/10/31/1012991031.db2.gz WCYUTYJBRQAHFN-UHFFFAOYSA-N 0 2 400.504 3.856 20 0 HHADLN COc1cc(C)ccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000488215964 1072130873 /nfs/dbraw/zinc/13/08/73/1072130873.db2.gz HDSWYOBNHSEBNC-CQSZACIVSA-N 0 2 411.907 3.873 20 0 HHADLN COCCOc1ncccc1NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488234255 1072143611 /nfs/dbraw/zinc/14/36/11/1072143611.db2.gz OXDVVISHYWUNLP-UHFFFAOYSA-N 0 2 410.801 3.580 20 0 HHADLN COc1cc(F)ccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000488223267 1072144582 /nfs/dbraw/zinc/14/45/82/1072144582.db2.gz TUTLYLDXRHIQHL-GFCCVEGCSA-N 0 2 415.870 3.704 20 0 HHADLN CCNS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cccc(-c2cccs2)c1 ZINC000488228055 1072148795 /nfs/dbraw/zinc/14/87/95/1072148795.db2.gz ICLWJLAUCKDWOT-UHFFFAOYSA-N 0 2 422.553 3.514 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cccc(COC2CCOCC2)c1 ZINC000488238270 1072154054 /nfs/dbraw/zinc/15/40/54/1072154054.db2.gz YXBFHZHQSIMWFN-UHFFFAOYSA-N 0 2 414.412 3.698 20 0 HHADLN CCc1ccccc1S(=O)(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)cc(C(F)(F)F)c1 ZINC000488239315 1072155465 /nfs/dbraw/zinc/15/54/65/1072155465.db2.gz XAOSHMHGPVIGSK-UHFFFAOYSA-N 0 2 412.393 3.559 20 0 HHADLN CC1(C)c2cc(S(=O)(=O)Nc3nnc(C4CCCCC4)s3)ccc2NC1=O ZINC000760319444 1072245070 /nfs/dbraw/zinc/24/50/70/1072245070.db2.gz ZZSSNSFMQBYDPW-UHFFFAOYSA-N 0 2 406.533 3.616 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2cccc3c2COC3=O)s1)c1ccccc1 ZINC000760321268 1072246503 /nfs/dbraw/zinc/24/65/03/1072246503.db2.gz UIJDZPIUOQKZDI-ZDUSSCGKSA-N 0 2 415.496 3.551 20 0 HHADLN COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)C(C)(C)NC(=O)C(F)(F)F)C1 ZINC000760366265 1072295652 /nfs/dbraw/zinc/29/56/52/1072295652.db2.gz CJCDIEXAYLSMAH-GFCCVEGCSA-N 0 2 420.859 3.587 20 0 HHADLN O=C(C[C@@H]1SC(n2nccc2C(F)(F)F)=NC1=O)Nc1cccc2ccccc21 ZINC000913098467 1072328655 /nfs/dbraw/zinc/32/86/55/1072328655.db2.gz FAPSUTJKEPAXTG-AWEZNQCLSA-N 0 2 418.400 3.930 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc(O)c(C)cc1C ZINC000586660523 1072390223 /nfs/dbraw/zinc/39/02/23/1072390223.db2.gz ATLRPCSMRHVYKP-UHFFFAOYSA-N 0 2 404.271 3.903 20 0 HHADLN CCc1c(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cnn1-c1ccccn1 ZINC000570959461 1072522332 /nfs/dbraw/zinc/52/23/32/1072522332.db2.gz CQIRMRFSAOVNKO-UHFFFAOYSA-N 0 2 410.890 3.676 20 0 HHADLN C[C@@]1(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)OCCc2sccc21 ZINC000571219333 1072584949 /nfs/dbraw/zinc/58/49/49/1072584949.db2.gz CVCOSZQLTUOUKQ-SFHVURJKSA-N 0 2 420.947 3.952 20 0 HHADLN COC(=O)c1cncc(S(=O)(=O)Nc2ccccc2-c2c(F)cccc2F)c1 ZINC000571263726 1072593197 /nfs/dbraw/zinc/59/31/97/1072593197.db2.gz VCQPHRHUPPTHTM-UHFFFAOYSA-N 0 2 404.394 3.614 20 0 HHADLN O=S(=O)(Nc1nc2c(cccc2Cl)s1)c1cncc(Br)c1 ZINC000479112944 1072729633 /nfs/dbraw/zinc/72/96/33/1072729633.db2.gz AFQKRBJSCPJYBN-UHFFFAOYSA-N 0 2 404.698 3.908 20 0 HHADLN CC(=O)Nc1sc(NS(=O)(=O)Cc2ccc(F)cc2)nc1-c1ccccc1 ZINC000479134561 1072746899 /nfs/dbraw/zinc/74/68/99/1072746899.db2.gz QOFIJQADUIOBML-UHFFFAOYSA-N 0 2 405.476 3.850 20 0 HHADLN CCC[C@@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cnn(C4CCOCC4)c3)c2C1 ZINC000479135806 1072747865 /nfs/dbraw/zinc/74/78/65/1072747865.db2.gz ABEREDTZKJRBMY-MRXNPFEDSA-N 0 2 418.563 3.540 20 0 HHADLN CCC[C@@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cnn(C4CCOCC4)c3)c2C1 ZINC000479135806 1072747874 /nfs/dbraw/zinc/74/78/74/1072747874.db2.gz ABEREDTZKJRBMY-MRXNPFEDSA-N 0 2 418.563 3.540 20 0 HHADLN COc1cccc(-c2cc(NS(=O)(=O)c3ccc4ncsc4c3)n(C)n2)c1 ZINC000479140984 1072762861 /nfs/dbraw/zinc/76/28/61/1072762861.db2.gz DXFPAABKVSSLGM-UHFFFAOYSA-N 0 2 400.485 3.506 20 0 HHADLN Cn1nc2c(c1NS(=O)(=O)c1ccc3cc(Br)ccc3c1)CCC2 ZINC000479154136 1072776730 /nfs/dbraw/zinc/77/67/30/1072776730.db2.gz UYOVRQSYWNUUSB-UHFFFAOYSA-N 0 2 406.305 3.625 20 0 HHADLN Cc1cnn(Cc2ccccc2F)c1NS(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000571935170 1072946579 /nfs/dbraw/zinc/94/65/79/1072946579.db2.gz KADKETKZQCCXNS-UHFFFAOYSA-N 0 2 413.474 3.699 20 0 HHADLN O=C(Nc1ccc(-n2ccnn2)cc1)c1[nH]nc(-c2ccccc2)c1Br ZINC000588870517 1073316442 /nfs/dbraw/zinc/31/64/42/1073316442.db2.gz JVTMLVWNNMJAQW-UHFFFAOYSA-N 0 2 409.247 3.672 20 0 HHADLN COCCC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000589090146 1073430086 /nfs/dbraw/zinc/43/00/86/1073430086.db2.gz FBMQKXHGPWDIKX-UHFFFAOYSA-N 0 2 403.287 3.769 20 0 HHADLN CCn1c2ccccc2nc1SCC(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000555536328 1073600545 /nfs/dbraw/zinc/60/05/45/1073600545.db2.gz GBLQCWHFMSQPKV-UHFFFAOYSA-N 0 2 408.487 3.586 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1[nH]c2ccccc2c1Br ZINC000555537503 1073601691 /nfs/dbraw/zinc/60/16/91/1073601691.db2.gz GWGQAQDTLUEYKM-UHFFFAOYSA-N 0 2 412.247 3.982 20 0 HHADLN CCOc1ccc(-c2noc(CCC(=O)Nc3nc(-c4ccccc4F)n[nH]3)n2)cc1 ZINC000590404497 1073789328 /nfs/dbraw/zinc/78/93/28/1073789328.db2.gz BVVKIXALBDLLTM-UHFFFAOYSA-N 0 2 422.420 3.631 20 0 HHADLN CC(C)(C)c1nc(SCC(=O)Nc2nc3c(cc(F)c(F)c3F)s2)n[nH]1 ZINC000590411762 1073793827 /nfs/dbraw/zinc/79/38/27/1073793827.db2.gz SITYWMCHDGDMIB-UHFFFAOYSA-N 0 2 401.439 3.860 20 0 HHADLN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N=c3nc(-c4ccccc4)[nH]s3)n2)n1 ZINC000590502045 1073861455 /nfs/dbraw/zinc/86/14/55/1073861455.db2.gz QYRIKKQKRQKNRE-UHFFFAOYSA-N 0 2 410.890 3.730 20 0 HHADLN O=S(=O)(Cc1ccc(Br)cc1)Nc1nc(-c2cccnc2)cs1 ZINC000556040532 1074061470 /nfs/dbraw/zinc/06/14/70/1074061470.db2.gz KQFAOWLKNPRFFS-UHFFFAOYSA-N 0 2 410.318 3.910 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)o1)c1ccccc1 ZINC000556045112 1074065604 /nfs/dbraw/zinc/06/56/04/1074065604.db2.gz UQODQXKXICCJKE-MRXNPFEDSA-N 0 2 403.508 3.807 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000573650748 1074598920 /nfs/dbraw/zinc/59/89/20/1074598920.db2.gz XTUHERKVBQDJHL-LBPRGKRZSA-N 0 2 414.434 3.562 20 0 HHADLN COc1ccccc1S(=O)(=O)Nc1ccccc1NC(=O)Cc1cccs1 ZINC000592986654 1075154473 /nfs/dbraw/zinc/15/44/73/1075154473.db2.gz OCNNGKXSKJKGSI-UHFFFAOYSA-N 0 2 402.497 3.739 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2nc3c(s2)CCCCC3)cc1Cl ZINC000592990566 1075154984 /nfs/dbraw/zinc/15/49/84/1075154984.db2.gz NLETYJIIIKIMFB-UHFFFAOYSA-N 0 2 417.915 3.964 20 0 HHADLN Cc1ccccc1-c1nnc(NS(=O)(=O)c2cccc(Br)c2C)o1 ZINC000574265593 1075192754 /nfs/dbraw/zinc/19/27/54/1075192754.db2.gz MYQMWGWSLYBYKF-UHFFFAOYSA-N 0 2 408.277 3.917 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)CCc1ccc(Br)cc1 ZINC000575199242 1075483272 /nfs/dbraw/zinc/48/32/72/1075483272.db2.gz PKYKGTVODNLZKA-UHFFFAOYSA-N 0 2 401.264 3.820 20 0 HHADLN CC(=O)CCc1ccc(OCCC(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1 ZINC000596904448 1075598283 /nfs/dbraw/zinc/59/82/83/1075598283.db2.gz BPOXWECCKPRUPT-UHFFFAOYSA-N 0 2 401.513 3.618 20 0 HHADLN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2nc(C)c(C(F)(F)F)s2)s1 ZINC000669606968 1075641947 /nfs/dbraw/zinc/64/19/47/1075641947.db2.gz KBXOOSHHLWNKKQ-LURJTMIESA-N 0 2 413.468 3.530 20 0 HHADLN CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c1 ZINC000537539081 1013053923 /nfs/dbraw/zinc/05/39/23/1013053923.db2.gz CCGSGRNSTLBTKN-INIZCTEOSA-N 0 2 411.506 3.536 20 0 HHADLN Cc1nc(-c2ccc(N3CCC[C@@H]3c3nc(-c4ccccc4)n[nH]3)nc2)[nH]c(=O)c1C ZINC000301969990 971136866 /nfs/dbraw/zinc/13/68/66/971136866.db2.gz QYUREZGQNOQPRD-GOSISDBHSA-N 0 2 413.485 3.988 20 0 HHADLN CCCCNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1Cl)c2=O ZINC000302793599 971320110 /nfs/dbraw/zinc/32/01/10/971320110.db2.gz PWRJPKDPYNVBKV-UHFFFAOYSA-N 0 2 401.919 3.917 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N(Cc3ccco3)Cc3ccco3)cc2[nH]c1=S ZINC000302847577 971349330 /nfs/dbraw/zinc/34/93/30/971349330.db2.gz AIWSLWABEYOODU-UHFFFAOYSA-N 0 2 409.467 3.734 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cc(CC(C)(C)C)nn2C)cc1Cl ZINC000303374671 971668243 /nfs/dbraw/zinc/66/82/43/971668243.db2.gz KYVRHUCRGRGNMA-UHFFFAOYSA-N 0 2 416.906 3.560 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cccc(F)c2)n(-c2cccc(Br)c2)n1 ZINC000524297921 1013108972 /nfs/dbraw/zinc/10/89/72/1013108972.db2.gz DWMPDRCGYSXCJD-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN Cc1cccc(Cn2nccc2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 ZINC000524298336 1013111094 /nfs/dbraw/zinc/11/10/94/1013111094.db2.gz BKEBJBVZUKYBMM-UHFFFAOYSA-N 0 2 411.405 3.939 20 0 HHADLN CS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc(F)ccc2Oc2ccccc2)c1 ZINC000524318555 1013137210 /nfs/dbraw/zinc/13/72/10/1013137210.db2.gz SYAWXUOVNKRPFI-UHFFFAOYSA-N 0 2 421.471 3.822 20 0 HHADLN Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N=c2nc(C(C)(C)C)[nH]s2)cc1 ZINC000524321096 1013140026 /nfs/dbraw/zinc/14/00/26/1013140026.db2.gz PLHRDSHFMPNQRO-UHFFFAOYSA-N 0 2 419.510 3.517 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ncn(C3CCCCC3)n2)c(Cl)c1Cl ZINC000542216404 1013163961 /nfs/dbraw/zinc/16/39/61/1013163961.db2.gz JRMPCXZVXZLOED-UHFFFAOYSA-N 0 2 405.307 3.900 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)Nc2ncn(C3CCCCC3)n2)s1 ZINC000542219667 1013171240 /nfs/dbraw/zinc/17/12/40/1013171240.db2.gz LBEWDNODMJYVPH-UHFFFAOYSA-N 0 2 405.343 3.717 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1cc(F)c(F)c(F)c1 ZINC000303874373 972416358 /nfs/dbraw/zinc/41/63/58/972416358.db2.gz IPCJXNTYOHJSTN-LLVKDONJSA-N 0 2 405.369 3.602 20 0 HHADLN CC(C)Oc1c(F)cc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1F ZINC000542235510 1013191406 /nfs/dbraw/zinc/19/14/06/1013191406.db2.gz KRHOINUEDUXHSI-UHFFFAOYSA-N 0 2 411.405 3.878 20 0 HHADLN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(OC)cc1OC ZINC000006328167 960885850 /nfs/dbraw/zinc/88/58/50/960885850.db2.gz PKKDHRKMUODOMT-UHFFFAOYSA-N 0 2 416.293 3.666 20 0 HHADLN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)s1 ZINC000537651843 1013213086 /nfs/dbraw/zinc/21/30/86/1013213086.db2.gz KQOWHDZBGTWJLU-UHFFFAOYSA-N 0 2 413.590 3.588 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(Cl)cc1F ZINC000007059964 961000775 /nfs/dbraw/zinc/00/07/75/961000775.db2.gz QJKUPVOKGDOUQI-UHFFFAOYSA-N 0 2 405.278 3.770 20 0 HHADLN Cc1ccccc1NC(=O)COC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O ZINC000009739960 961677656 /nfs/dbraw/zinc/67/76/56/961677656.db2.gz KGJBYNPUFOFBCV-UHFFFAOYSA-N 0 2 419.359 3.701 20 0 HHADLN CC1(C)Cc2nc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)sc2C(=O)C1 ZINC000010342356 961795466 /nfs/dbraw/zinc/79/54/66/961795466.db2.gz LVNSPRPSGLMWRU-UHFFFAOYSA-N 0 2 420.434 3.998 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3cc(Cl)c(OC)cc3OC)cc2[nH]c1=S ZINC000011604284 962142329 /nfs/dbraw/zinc/14/23/29/962142329.db2.gz AAFQVLNEUHDIHW-UHFFFAOYSA-N 0 2 419.890 3.628 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NCC3(c4ccccc4)CCCC3)cc2[nH]c1=S ZINC000012101412 962239199 /nfs/dbraw/zinc/23/91/99/962239199.db2.gz QZCUIPUZTCXGKE-UHFFFAOYSA-N 0 2 407.539 3.947 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)Nc3ccc4c(c3)CCC4)cc2[nH]c1=S ZINC000012211585 962254888 /nfs/dbraw/zinc/25/48/88/962254888.db2.gz OIWURCHKKXDTJF-UHFFFAOYSA-N 0 2 409.511 3.837 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OCC(F)(F)F)cc1 ZINC000014205664 962444649 /nfs/dbraw/zinc/44/46/49/962444649.db2.gz KSFDSJPOKGQAQE-UHFFFAOYSA-N 0 2 403.378 3.605 20 0 HHADLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)COc1cccc2ccccc21 ZINC000014374622 962490548 /nfs/dbraw/zinc/49/05/48/962490548.db2.gz TWUPNQXSDREALY-UHFFFAOYSA-N 0 2 407.495 3.955 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000014372609 962490869 /nfs/dbraw/zinc/49/08/69/962490869.db2.gz QVDVKLVCHZYCMC-UHFFFAOYSA-N 0 2 400.847 3.565 20 0 HHADLN COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)nc1 ZINC000016154672 962965790 /nfs/dbraw/zinc/96/57/90/962965790.db2.gz XCNXXUNYTKAVND-UHFFFAOYSA-N 0 2 410.801 3.580 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2[nH]c1=S ZINC000017064746 963150556 /nfs/dbraw/zinc/15/05/56/963150556.db2.gz FULUERVELQGUGZ-UHFFFAOYSA-N 0 2 407.417 3.654 20 0 HHADLN O=C(NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1n[nH]c2ccccc21 ZINC000021392382 963459208 /nfs/dbraw/zinc/45/92/08/963459208.db2.gz FKYRFVSBQCSVDK-UHFFFAOYSA-N 0 2 413.812 3.867 20 0 HHADLN O=C(Nc1ncccc1O)c1ccc2c(=O)n(CCc3ccccc3)c(=S)[nH]c2c1 ZINC000022263925 963620633 /nfs/dbraw/zinc/62/06/33/963620633.db2.gz CZSJQPMPWGSIKI-UHFFFAOYSA-N 0 2 418.478 3.655 20 0 HHADLN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(Cl)cc2Cl)C1=O ZINC000023946375 963906287 /nfs/dbraw/zinc/90/62/87/963906287.db2.gz DLIVEOLRIGRMLU-IBGZPJMESA-N 0 2 406.269 3.582 20 0 HHADLN COCCCN1Cc2cccc(NS(=O)(=O)c3cc(OC)ccc3Cl)c2C1 ZINC000542516027 1013459271 /nfs/dbraw/zinc/45/92/71/1013459271.db2.gz KHYYMROQVXFLIH-UHFFFAOYSA-N 0 2 410.923 3.502 20 0 HHADLN COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1cccc(C#N)c1 ZINC000024249381 963967556 /nfs/dbraw/zinc/96/75/56/963967556.db2.gz MDKXJLGLRFSQLK-UHFFFAOYSA-N 0 2 401.669 3.784 20 0 HHADLN O=C(NNC(=O)c1ccccc1C(F)(F)F)c1ccc(COc2ccccc2)o1 ZINC000025446094 964272063 /nfs/dbraw/zinc/27/20/63/964272063.db2.gz QCRRKFCZGVCGOZ-UHFFFAOYSA-N 0 2 404.344 3.952 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccc3nc(SC)sc3c2)cc1OC ZINC000026530708 964590878 /nfs/dbraw/zinc/59/08/78/964590878.db2.gz HBTYRPZDKHDQBE-UHFFFAOYSA-N 0 2 414.505 3.975 20 0 HHADLN N#Cc1ccsc1C(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl ZINC000052147648 964821194 /nfs/dbraw/zinc/82/11/94/964821194.db2.gz BAZIGBKJXADUBD-UHFFFAOYSA-N 0 2 404.826 3.923 20 0 HHADLN O=C(CSc1nnc(NCCc2ccccc2)s1)NOCc1ccccc1 ZINC000052493789 964917243 /nfs/dbraw/zinc/91/72/43/964917243.db2.gz GXXMSYQVTWDJGK-UHFFFAOYSA-N 0 2 400.529 3.533 20 0 HHADLN Cc1cccnc1NC(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC000027651207 964938049 /nfs/dbraw/zinc/93/80/49/964938049.db2.gz LQKYNNHNFCUUFL-UHFFFAOYSA-N 0 2 416.506 3.884 20 0 HHADLN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000057121429 965293434 /nfs/dbraw/zinc/29/34/34/965293434.db2.gz NEYVWIMQHRKRPM-GFCCVEGCSA-N 0 2 416.421 3.914 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CC(=O)N[C@@H]4CCCC[C@H]4C)nc(=O)c3s2)cc1 ZINC000053852603 965293539 /nfs/dbraw/zinc/29/35/39/965293539.db2.gz MTEKZVUADFGSBV-CZUORRHYSA-N 0 2 411.527 3.898 20 0 HHADLN O=C(CCc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1)N1CCCC1 ZINC000057125206 965299071 /nfs/dbraw/zinc/29/90/71/965299071.db2.gz GRXRWBFETVOJQA-UHFFFAOYSA-N 0 2 410.898 3.835 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 ZINC000057689820 965523894 /nfs/dbraw/zinc/52/38/94/965523894.db2.gz GOYOIUGIOGHMFI-UHFFFAOYSA-N 0 2 416.480 3.680 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1OC ZINC000057689892 965523934 /nfs/dbraw/zinc/52/39/34/965523934.db2.gz FVZNVBJMZYCWNN-UHFFFAOYSA-N 0 2 404.469 3.521 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)c1 ZINC000057733997 965533399 /nfs/dbraw/zinc/53/33/99/965533399.db2.gz GMQYDZAFGIRBGX-UHFFFAOYSA-N 0 2 404.391 3.532 20 0 HHADLN COc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3ccccc3)[nH]c(=O)c2C#N)cc1 ZINC000054749317 965631886 /nfs/dbraw/zinc/63/18/86/965631886.db2.gz ZYJDBDHJHODLSJ-ZDUSSCGKSA-N 0 2 406.467 3.849 20 0 HHADLN CC1CCN(C2=NC(=O)C(CC(=O)Nc3ccc(Br)cc3)S2)CC1 ZINC000055117585 965760200 /nfs/dbraw/zinc/76/02/00/965760200.db2.gz NILIEMYWCHMYFZ-CQSZACIVSA-N 0 2 410.337 3.508 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C)Cc3nc4c(s3)CCCC4)s[nH]2)c1 ZINC000542685476 1013605880 /nfs/dbraw/zinc/60/58/80/1013605880.db2.gz HUCHNNZCYZVVBT-UHFFFAOYSA-N 0 2 415.544 3.635 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1 ZINC000055559850 965916501 /nfs/dbraw/zinc/91/65/01/965916501.db2.gz OCFIORTYAPIQNR-UHFFFAOYSA-N 0 2 400.479 3.920 20 0 HHADLN COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2nc(SC)sc2c1 ZINC000055561249 965918624 /nfs/dbraw/zinc/91/86/24/965918624.db2.gz IUGUEXICVYVBDE-UHFFFAOYSA-N 0 2 411.486 3.736 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NC[C@@H](OC)c3cccc(Cl)c3)s[nH]2)c1 ZINC000542692584 1013611179 /nfs/dbraw/zinc/61/11/79/1013611179.db2.gz AYAUYNMHYRUVQC-MRXNPFEDSA-N 0 2 418.906 3.798 20 0 HHADLN CC(C)c1nc2cc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)ccc2o1 ZINC000055586253 965941123 /nfs/dbraw/zinc/94/11/23/965941123.db2.gz QUAVLJLJKFHCJL-UHFFFAOYSA-N 0 2 403.435 3.776 20 0 HHADLN CC(C)NC(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000055614385 965962256 /nfs/dbraw/zinc/96/22/56/965962256.db2.gz WZMCMIBFMYHNTB-UHFFFAOYSA-N 0 2 417.409 3.916 20 0 HHADLN CCc1cc(=O)[nH]c(-c2cccc(NS(=O)(=O)c3ccc(Cl)cc3F)c2)n1 ZINC000055621134 965967565 /nfs/dbraw/zinc/96/75/65/965967565.db2.gz QUSQIPUHBPHSSE-UHFFFAOYSA-N 0 2 407.854 3.593 20 0 HHADLN CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1Cl ZINC000055663284 966006772 /nfs/dbraw/zinc/00/67/72/966006772.db2.gz NORMZTDYPQVIFG-UHFFFAOYSA-N 0 2 402.850 3.805 20 0 HHADLN CCCNC(=O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000055665581 966007861 /nfs/dbraw/zinc/00/78/61/966007861.db2.gz KYQSSIZWFMBDJN-UHFFFAOYSA-N 0 2 402.394 3.526 20 0 HHADLN CCCCCCOc1ccc(C(=O)NNC(=O)c2c(C)nn3c2nc(C)cc3C)cc1 ZINC000059364873 966017960 /nfs/dbraw/zinc/01/79/60/966017960.db2.gz NOMBXVNOCWCLAM-UHFFFAOYSA-N 0 2 423.517 3.688 20 0 HHADLN O=C(NCC(F)(F)F)NNC(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000060414794 966135615 /nfs/dbraw/zinc/13/56/15/966135615.db2.gz MUZBJISPGYSNAV-UHFFFAOYSA-N 0 2 407.348 3.518 20 0 HHADLN O=C(Nn1cnc2sc3c(c2c1=O)CCCC3)c1csc(Cc2ccccc2)n1 ZINC000032804398 966329745 /nfs/dbraw/zinc/32/97/45/966329745.db2.gz KPEIQMCKASJMBC-UHFFFAOYSA-N 0 2 422.535 3.768 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3nc(-c4cc(F)ccc4F)cs3)ccc2N1 ZINC000060934531 966331739 /nfs/dbraw/zinc/33/17/39/966331739.db2.gz KRKJTCVXKQHMNY-UHFFFAOYSA-N 0 2 421.450 3.774 20 0 HHADLN O=C(NNC(=O)c1ccccc1C(=O)c1cccs1)c1cc(-c2ccccc2)on1 ZINC000032916921 966346053 /nfs/dbraw/zinc/34/60/53/966346053.db2.gz HCGLDJNAFCCIFJ-UHFFFAOYSA-N 0 2 417.446 3.709 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000039968101 966514263 /nfs/dbraw/zinc/51/42/63/966514263.db2.gz SVXQBOSIHVJPSK-UHFFFAOYSA-N 0 2 408.907 3.822 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@H]2C[C@@H]2C)ccc1Cl ZINC000043114343 966909107 /nfs/dbraw/zinc/90/91/07/966909107.db2.gz KTKSRGUCGZPZFI-GXTWGEPZSA-N 0 2 408.907 3.535 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)COc3c(C)cccc3C)cc2[nH]c1=S ZINC000063805886 966965093 /nfs/dbraw/zinc/96/50/93/966965093.db2.gz STSUPJMOCZVTIN-INIZCTEOSA-N 0 2 423.538 3.685 20 0 HHADLN CCCS(=O)(=O)Nc1cccc(NS(=O)(=O)c2cccc(Cl)c2F)c1C ZINC000064381236 967162930 /nfs/dbraw/zinc/16/29/30/967162930.db2.gz SWNHWALEYLUKMD-UHFFFAOYSA-N 0 2 420.915 3.740 20 0 HHADLN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccccc1OCC(F)(F)F ZINC000064475291 967202473 /nfs/dbraw/zinc/20/24/73/967202473.db2.gz MUHMLPADKXHEBQ-UHFFFAOYSA-N 0 2 403.378 3.524 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cc1C ZINC000064478114 967204580 /nfs/dbraw/zinc/20/45/80/967204580.db2.gz ZELZXONYYHIOMS-UHFFFAOYSA-N 0 2 416.524 3.905 20 0 HHADLN O=C(NCCc1cccs1)NNC(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000065199085 967403772 /nfs/dbraw/zinc/40/37/72/967403772.db2.gz DUTPYXAWBJTZND-UHFFFAOYSA-N 0 2 406.920 3.712 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)N[C@H](C)c3ccc(C)cc3)cc2[nH]c1=S ZINC000045364840 967440130 /nfs/dbraw/zinc/44/01/30/967440130.db2.gz HOQMMNIIOGXNCL-OAHLLOKOSA-N 0 2 411.527 3.521 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)NC[C@H](C)c3ccccc3)cc2[nH]c1=S ZINC000045898798 967589636 /nfs/dbraw/zinc/58/96/36/967589636.db2.gz YJJSBJOFIZEASN-HNNXBMFYSA-N 0 2 411.527 3.629 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)Nc3ccc(C)cc3F)cc2[nH]c1=S ZINC000045899643 967590445 /nfs/dbraw/zinc/59/04/45/967590445.db2.gz YDLNDHFGZZXGQW-UHFFFAOYSA-N 0 2 401.463 3.795 20 0 HHADLN COc1cc2nc(C)sc2cc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000542935479 1013769598 /nfs/dbraw/zinc/76/95/98/1013769598.db2.gz AFSNJULEMKOWJS-UHFFFAOYSA-N 0 2 403.407 3.828 20 0 HHADLN CS(=O)(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000047313150 968135477 /nfs/dbraw/zinc/13/54/77/968135477.db2.gz UVGQUOYPVIYIJE-UHFFFAOYSA-N 0 2 417.483 3.601 20 0 HHADLN O=C(Nn1cnc2sc3c(c2c1=O)CCCC3)c1cc(-c2ccccc2F)on1 ZINC000047526583 968222734 /nfs/dbraw/zinc/22/27/34/968222734.db2.gz BGRQYFOATPBBBU-UHFFFAOYSA-N 0 2 410.430 3.515 20 0 HHADLN COc1cc(NS(=O)(=O)c2ccc(C)cc2F)cc(OC)c1Br ZINC000538297849 1013832862 /nfs/dbraw/zinc/83/28/62/1013832862.db2.gz CJWFXTCQWYSRIM-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(F)c(C)cc2F)cc(OC)c1Br ZINC000538299601 1013834287 /nfs/dbraw/zinc/83/42/87/1013834287.db2.gz YLEZEJIIZKSIDP-UHFFFAOYSA-N 0 2 422.247 3.854 20 0 HHADLN COc1ccc(-c2cc3[n-]c(C[N@H+](CCO)Cc4ccccc4)nc(=O)c3s2)cc1 ZINC000096993678 969074781 /nfs/dbraw/zinc/07/47/81/969074781.db2.gz OWKGTYFEVHFWDE-UHFFFAOYSA-N 0 2 421.522 3.655 20 0 HHADLN COc1ccc(-c2cc3[n-]c(C[N@@H+](CCO)Cc4ccccc4)nc(=O)c3s2)cc1 ZINC000096993678 969074790 /nfs/dbraw/zinc/07/47/90/969074790.db2.gz OWKGTYFEVHFWDE-UHFFFAOYSA-N 0 2 421.522 3.655 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3C[C@H](C)C[C@H](C)C3)ccc2F)cc1 ZINC000098067290 969188229 /nfs/dbraw/zinc/18/82/29/969188229.db2.gz SIFSRVUUMJTNQA-GASCZTMLSA-N 0 2 420.506 3.753 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N3CCCCC[C@H]3c3cccn3C)cc2[nH]c1=S ZINC000103474144 969200139 /nfs/dbraw/zinc/20/01/39/969200139.db2.gz CGAKJVKYQINOBN-IBGZPJMESA-N 0 2 410.543 3.801 20 0 HHADLN Cc1c(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)nnn1-c1cccc(C)c1 ZINC000554224304 1013860952 /nfs/dbraw/zinc/86/09/52/1013860952.db2.gz BMGBRNPLFZHZMK-UHFFFAOYSA-N 0 2 410.890 3.730 20 0 HHADLN O=C(Nc1ccc(OC(F)(F)F)c(Br)c1)c1ccc2[nH]nnc2c1 ZINC000115658858 969847117 /nfs/dbraw/zinc/84/71/17/969847117.db2.gz GHBHWOJADWVHKL-UHFFFAOYSA-N 0 2 401.142 3.871 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N(C3CC3)[C@H]3CCc4ccccc43)cc2[nH]c1=S ZINC000116100825 969872336 /nfs/dbraw/zinc/87/23/36/969872336.db2.gz AHXBLTRDKMZCGM-FQEVSTJZSA-N 0 2 405.523 3.997 20 0 HHADLN O=C(N[C@H]1C[C@H]1c1ccccc1)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000138936749 970015736 /nfs/dbraw/zinc/01/57/36/970015736.db2.gz BXGYCVLOHHTHTP-ICSRJNTNSA-N 0 2 417.490 3.986 20 0 HHADLN Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000140069322 970060809 /nfs/dbraw/zinc/06/08/09/970060809.db2.gz RCCORTNKJCVXBH-UHFFFAOYSA-N 0 2 415.862 3.679 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(F)cc2Br)cnc1Br ZINC000228524974 970125125 /nfs/dbraw/zinc/12/51/25/970125125.db2.gz SKYSDAJSZISGDQ-UHFFFAOYSA-N 0 2 424.089 3.855 20 0 HHADLN O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000141702971 970126556 /nfs/dbraw/zinc/12/65/56/970126556.db2.gz WUYINQWDIJRAOC-BJMVGYQFSA-N 0 2 420.903 3.644 20 0 HHADLN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3ccc4c(c3)[nH]c(=S)n(C)c4=O)nc2c1 ZINC000142295440 970149984 /nfs/dbraw/zinc/14/99/84/970149984.db2.gz IVGKFHZDHCOVFI-SFHVURJKSA-N 0 2 419.510 3.758 20 0 HHADLN Cc1ccc2nc([C@@H]3CCCN3C(=O)c3ccc4c(c3)[nH]c(=S)n(C)c4=O)[nH]c2c1 ZINC000142295440 970149991 /nfs/dbraw/zinc/14/99/91/970149991.db2.gz IVGKFHZDHCOVFI-SFHVURJKSA-N 0 2 419.510 3.758 20 0 HHADLN CO[C@@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000144972421 970248484 /nfs/dbraw/zinc/24/84/84/970248484.db2.gz HSPNAUJORIDXIP-JTQLQIEISA-N 0 2 403.287 3.768 20 0 HHADLN O=C([O-])C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000238010808 970418691 /nfs/dbraw/zinc/41/86/91/970418691.db2.gz ZCLIRDNVMVGHFH-KRWDZBQOSA-N 0 2 414.259 3.581 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N(C)CCOc3cccc(Cl)c3)cc2[nH]c1=S ZINC000247994473 970496331 /nfs/dbraw/zinc/49/63/31/970496331.db2.gz MFRGXHCUHLOCON-UHFFFAOYSA-N 0 2 417.918 3.510 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N[C@H](c3ccccc3)c3ccncc3)cc2[nH]c1=S ZINC000249680074 970529805 /nfs/dbraw/zinc/52/98/05/970529805.db2.gz AEKWAOHHGMQMCE-HXUWFJFHSA-N 0 2 416.506 3.620 20 0 HHADLN Cc1sc(Br)cc1S(=O)(=O)Nc1nnc(-c2ccccc2)o1 ZINC000316895707 972652325 /nfs/dbraw/zinc/65/23/25/972652325.db2.gz DDKDMUABYRIWME-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN Cc1cc(Cl)ncc1NS(=O)(=O)c1cc(Br)ccc1[N+](=O)[O-] ZINC000319371304 972671558 /nfs/dbraw/zinc/67/15/58/972671558.db2.gz XXYSGPKZSRDLKI-UHFFFAOYSA-N 0 2 406.645 3.515 20 0 HHADLN COC(=O)CCCc1csc(NS(=O)(=O)c2cc(Cl)sc2Cl)n1 ZINC000321108461 972686745 /nfs/dbraw/zinc/68/67/45/972686745.db2.gz FFAUNKBGXVIWSG-UHFFFAOYSA-N 0 2 415.345 3.808 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cnc1Br ZINC000322623677 972702094 /nfs/dbraw/zinc/70/20/94/972702094.db2.gz OMFSSJFFPUKYHQ-UHFFFAOYSA-N 0 2 411.199 3.852 20 0 HHADLN COC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000322999543 972705693 /nfs/dbraw/zinc/70/56/93/972705693.db2.gz UCKYZSCAAKGIJY-UHFFFAOYSA-N 0 2 403.229 3.567 20 0 HHADLN COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000391537832 972841887 /nfs/dbraw/zinc/84/18/87/972841887.db2.gz MHJCJFNMKMASNC-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN COC(=O)CCCc1csc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000391717184 972844732 /nfs/dbraw/zinc/84/47/32/972844732.db2.gz BJZHGPNYJFKQGV-UHFFFAOYSA-N 0 2 409.316 3.746 20 0 HHADLN CCc1nnc(CNCc2cc(Br)c(O)c(Br)c2)s1 ZINC000391926430 972845754 /nfs/dbraw/zinc/84/57/54/972845754.db2.gz JBLQXINXZHURBW-UHFFFAOYSA-N 0 2 407.131 3.621 20 0 HHADLN CC(C)n1ncc2cc(NS(=O)(=O)c3ccc(Br)cc3F)cnc21 ZINC000392385481 972852771 /nfs/dbraw/zinc/85/27/71/972852771.db2.gz ICBKBZLVWGDKKR-UHFFFAOYSA-N 0 2 413.272 3.715 20 0 HHADLN COC(=O)c1ccc(N)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 ZINC000404208353 972883230 /nfs/dbraw/zinc/88/32/30/972883230.db2.gz DNBGFQSQORGROL-UHFFFAOYSA-N 0 2 409.678 3.816 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1cccc(Br)c1)c1ccc(F)cc1 ZINC000409458172 972903707 /nfs/dbraw/zinc/90/37/07/972903707.db2.gz ZMSKCRDGOHQXKA-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)s1 ZINC000409537417 972993076 /nfs/dbraw/zinc/99/30/76/972993076.db2.gz RZCZFDQGXQEFBF-UHFFFAOYSA-N 0 2 422.553 4.000 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)[C@H]1COc2ccccc2C1 ZINC000409542329 972998262 /nfs/dbraw/zinc/99/82/62/972998262.db2.gz GSFXCJSMEGIZAK-LLVKDONJSA-N 0 2 417.238 3.563 20 0 HHADLN COCCOc1cc(OC)ccc1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000409543409 973000665 /nfs/dbraw/zinc/00/06/65/973000665.db2.gz MDQURBYZIBWZMV-UHFFFAOYSA-N 0 2 419.890 3.567 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccc2Br)cc1 ZINC000409585118 973034610 /nfs/dbraw/zinc/03/46/10/973034610.db2.gz MICHVJMMOGLWCL-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3cc(C(=O)OC)cs3)sc2C1 ZINC000409669283 973129648 /nfs/dbraw/zinc/12/96/48/973129648.db2.gz UATLCUDJPIDXQK-SNVBAGLBSA-N 0 2 400.547 3.697 20 0 HHADLN COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC000409876167 973342590 /nfs/dbraw/zinc/34/25/90/973342590.db2.gz OHDMLUJKLHWKAK-INIZCTEOSA-N 0 2 409.269 3.951 20 0 HHADLN C[C@H](CCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1 ZINC000410212286 973707571 /nfs/dbraw/zinc/70/75/71/973707571.db2.gz BUGRYFPGEYAIJN-OAHLLOKOSA-N 0 2 415.540 3.868 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3c[nH]nc3-c3nccs3)c2)n1 ZINC000410333261 973910340 /nfs/dbraw/zinc/91/03/40/973910340.db2.gz PZSCVJDQPAGLSV-UHFFFAOYSA-N 0 2 403.514 3.766 20 0 HHADLN CC1(C)Cc2cccc(S(=O)(=O)Nc3nnc(Cc4ccc(Cl)cc4)o3)c2O1 ZINC000410343557 973929918 /nfs/dbraw/zinc/92/99/18/973929918.db2.gz ROTMXPVWWDUUDE-UHFFFAOYSA-N 0 2 419.890 3.828 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3noc(Cc4ccccc4)n3)c2)n1 ZINC000410355541 973946678 /nfs/dbraw/zinc/94/66/78/973946678.db2.gz UAWAVKQEIHSUJB-UHFFFAOYSA-N 0 2 412.496 3.893 20 0 HHADLN COc1cc(C)c(NS(=O)(=O)c2cccc(Br)c2F)cc1OC ZINC000410361218 973952720 /nfs/dbraw/zinc/95/27/20/973952720.db2.gz UPLUTOXLWIRUPH-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN O=S(=O)(Nc1ccc(Cn2cccn2)cc1)c1cccc(Br)c1F ZINC000410368014 973962909 /nfs/dbraw/zinc/96/29/09/973962909.db2.gz SLRQBDQMHDRLFN-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN Cc1nc(-c2cccc(NS(=O)(=O)c3cccc(Br)c3F)c2)no1 ZINC000410376217 973974501 /nfs/dbraw/zinc/97/45/01/973974501.db2.gz SPQYFPNECWOBFX-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN COc1ccc(C[NH2+][C@@H](C(=O)[O-])c2c(Cl)cccc2Cl)c(OC)c1OC ZINC000426752725 974635797 /nfs/dbraw/zinc/63/57/97/974635797.db2.gz BGKWIGUZXVJNOV-OAHLLOKOSA-N 0 2 400.258 3.935 20 0 HHADLN Cc1cnn(C[C@@H]([NH2+]Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C(=O)[O-])c1 ZINC000426756992 974637843 /nfs/dbraw/zinc/63/78/43/974637843.db2.gz BHMWWWVBGRAZMP-CQSZACIVSA-N 0 2 411.314 3.865 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(Cc2cccs2)C[C@@H]2CCCO2)=N1 ZINC000426990416 974803606 /nfs/dbraw/zinc/80/36/06/974803606.db2.gz IFCNGYISERCVFZ-INIZCTEOSA-N 0 2 415.490 3.908 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc(-c4ccncc4)c(C)c3)cnc2c1Cl ZINC000427660627 975229251 /nfs/dbraw/zinc/22/92/51/975229251.db2.gz UWNPTLOXZUIEES-UHFFFAOYSA-N 0 2 413.890 3.862 20 0 HHADLN Cc1nc2ccc(S(=O)(=O)Nc3nc(-c4cccc(Cl)c4)ns3)cc2s1 ZINC000427751508 975268232 /nfs/dbraw/zinc/26/82/32/975268232.db2.gz FGRHHHGUXLUVCZ-UHFFFAOYSA-N 0 2 422.944 3.999 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nc(C(C)(C)C)co1 ZINC000427798752 975295424 /nfs/dbraw/zinc/29/54/24/975295424.db2.gz NBOWZMXGTCPQEN-NSHDSACASA-N 0 2 402.900 3.840 20 0 HHADLN C[C@H](CCCC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000427974909 975371777 /nfs/dbraw/zinc/37/17/77/975371777.db2.gz SGOZSYBOMZPBCY-LLVKDONJSA-N 0 2 421.466 3.795 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCn4c(nnc4C4CCCC4)C3)=N2)cc1 ZINC000428282846 975596149 /nfs/dbraw/zinc/59/61/49/975596149.db2.gz GTCYRNOMLRGTOR-UHFFFAOYSA-N 0 2 420.517 3.606 20 0 HHADLN COc1ccc(S(=O)(=O)[N-]c2ccccc2-c2[nH+]cc3n2CCCC3)c(F)c1 ZINC000430370434 977507220 /nfs/dbraw/zinc/50/72/20/977507220.db2.gz MTBZLVHXJVGTHD-UHFFFAOYSA-N 0 2 401.463 3.835 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccccc2-c2ncc3n2CCCC3)c(F)c1 ZINC000430370434 977507221 /nfs/dbraw/zinc/50/72/21/977507221.db2.gz MTBZLVHXJVGTHD-UHFFFAOYSA-N 0 2 401.463 3.835 20 0 HHADLN Cc1cc(F)cc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)c1 ZINC000430371502 977508664 /nfs/dbraw/zinc/50/86/64/977508664.db2.gz QEKTZLOMJYCDTL-UHFFFAOYSA-N 0 2 413.474 3.602 20 0 HHADLN O=C(N[C@H](CO)c1ccccc1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430568408 977635800 /nfs/dbraw/zinc/63/58/00/977635800.db2.gz KLQPGBYPXKUIHE-JOCHJYFZSA-N 0 2 400.434 3.784 20 0 HHADLN COC(=O)C12CCC(C(=O)Nc3nc(-c4cc(Cl)ccc4Cl)n[nH]3)(CC1)C2 ZINC000430569453 977636924 /nfs/dbraw/zinc/63/69/24/977636924.db2.gz HRLTWVHGPGRRFX-UHFFFAOYSA-N 0 2 409.273 3.841 20 0 HHADLN O=C(N[C@H](CO)Cc1ccccc1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430581425 977643394 /nfs/dbraw/zinc/64/33/94/977643394.db2.gz OJSVUCSDBDRURK-SFHVURJKSA-N 0 2 414.461 3.654 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)ccc1F ZINC000431316055 978200907 /nfs/dbraw/zinc/20/09/07/978200907.db2.gz BEWHQNXXYVXPFY-UHFFFAOYSA-N 0 2 420.491 3.720 20 0 HHADLN O=S(=O)(Nc1nnc(SCc2cccs2)s1)c1ccc(F)cc1F ZINC000431319667 978205467 /nfs/dbraw/zinc/20/54/67/978205467.db2.gz UBLHUQUCAHDKGC-UHFFFAOYSA-N 0 2 405.498 3.971 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)c(Cl)c1Cl ZINC000431324337 978209474 /nfs/dbraw/zinc/20/94/74/978209474.db2.gz AAVHYSTUESAZGE-UHFFFAOYSA-N 0 2 408.210 3.673 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)c(C)c1 ZINC000431327904 978213407 /nfs/dbraw/zinc/21/34/07/978213407.db2.gz UFOYAPWDEBLMTK-UHFFFAOYSA-N 0 2 417.512 3.718 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2cc(C)ccc2F)cc(Br)c1F ZINC000431914128 978597205 /nfs/dbraw/zinc/59/72/05/978597205.db2.gz ZKVMFYVSNXMGGG-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2F)cc(Br)c1F ZINC000431921138 978602215 /nfs/dbraw/zinc/60/22/15/978602215.db2.gz WQHDFNFSSFQIEF-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN CC(C)(c1ccc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)cc1)C(F)(F)F ZINC000432062255 978665410 /nfs/dbraw/zinc/66/54/10/978665410.db2.gz MRHJCQPHEROXOM-UHFFFAOYSA-N 0 2 417.453 3.875 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cnccc2-c2ccccc2)cc1Cl ZINC000432343078 978768482 /nfs/dbraw/zinc/76/84/82/978768482.db2.gz QXDLPMNCFISRMV-UHFFFAOYSA-N 0 2 402.859 3.989 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000432351723 978772654 /nfs/dbraw/zinc/77/26/54/978772654.db2.gz PXZFIYPORVSWGS-UHFFFAOYSA-N 0 2 410.423 3.676 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2ccc(SC)c(Cl)c2)sc1C1CC1 ZINC000432363894 978778800 /nfs/dbraw/zinc/77/88/00/978778800.db2.gz YDYWQJTZSQBJAB-UHFFFAOYSA-N 0 2 418.949 3.983 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2csc3ccc(Cl)cc32)nc1C ZINC000432381804 978789576 /nfs/dbraw/zinc/78/95/76/978789576.db2.gz QQVNPANTPVGNGG-UHFFFAOYSA-N 0 2 402.906 3.907 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)ccc1Cl ZINC000432480117 978838247 /nfs/dbraw/zinc/83/82/47/978838247.db2.gz UTDPIKDGCQRZNN-UHFFFAOYSA-N 0 2 407.250 3.900 20 0 HHADLN CC(C)Oc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)ccc1C(N)=O ZINC000432484609 978840953 /nfs/dbraw/zinc/84/09/53/978840953.db2.gz WFDPTEGOMVGIHP-UHFFFAOYSA-N 0 2 420.384 3.531 20 0 HHADLN COc1cc(S(=O)(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)ccc1F ZINC000432531816 978868762 /nfs/dbraw/zinc/86/87/62/978868762.db2.gz ROWZZCMYZCDSSV-HNNXBMFYSA-N 0 2 419.503 3.955 20 0 HHADLN Cc1cc(Br)cc(S(=O)(=O)Nc2noc(Cc3ccccc3)n2)c1 ZINC000432958999 979024484 /nfs/dbraw/zinc/02/44/84/979024484.db2.gz IXAPZDGGKDBCOB-UHFFFAOYSA-N 0 2 408.277 3.532 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(Cc3ccccc3F)o2)cc1Cl ZINC000432959426 979024644 /nfs/dbraw/zinc/02/46/44/979024644.db2.gz KLQJQNDDUHDZIC-UHFFFAOYSA-N 0 2 411.842 3.571 20 0 HHADLN COc1ccccc1-c1nnc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)o1 ZINC000432961629 979025504 /nfs/dbraw/zinc/02/55/04/979025504.db2.gz TWWJYPXGMBCDAH-UHFFFAOYSA-N 0 2 417.487 3.986 20 0 HHADLN CC(C)Oc1ccc(S(=O)(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)cc1 ZINC000432962763 979026274 /nfs/dbraw/zinc/02/62/74/979026274.db2.gz SVBHUKORYLITMK-UHFFFAOYSA-N 0 2 407.442 3.953 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cc(-c4ccco4)nn3C(C)C)cnc2c1Cl ZINC000433156795 979105471 /nfs/dbraw/zinc/10/54/71/979105471.db2.gz CYHQFGBIHNUGMA-UHFFFAOYSA-N 0 2 420.882 3.529 20 0 HHADLN Cc1c2cc(F)ccc2oc1S(=O)(=O)Nc1nccc(-c2cncc(F)c2)n1 ZINC000433159068 979107703 /nfs/dbraw/zinc/10/77/03/979107703.db2.gz RBGYLJSXWIJQTA-UHFFFAOYSA-N 0 2 402.382 3.672 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cc(C)nn2C2CCOCC2)c2ccccc12 ZINC000433396283 979274802 /nfs/dbraw/zinc/27/48/02/979274802.db2.gz VSPNXWJMWRCRAG-UHFFFAOYSA-N 0 2 415.515 3.896 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)c(F)c1Cl ZINC000433467510 979321583 /nfs/dbraw/zinc/32/15/83/979321583.db2.gz AQOYCNMEKDFPJF-WCQYABFASA-N 0 2 418.824 3.550 20 0 HHADLN CCc1cccc(S(=O)(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)cc(C(F)(F)F)c2)c1 ZINC000433506913 979344252 /nfs/dbraw/zinc/34/42/52/979344252.db2.gz PXCQIHXUYFPXRP-UHFFFAOYSA-N 0 2 412.393 3.559 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000433530262 979361398 /nfs/dbraw/zinc/36/13/98/979361398.db2.gz NCCVPVJNCBCVAO-UHFFFAOYSA-N 0 2 407.455 3.597 20 0 HHADLN C[S@](=O)c1ccc(NS(=O)(=O)c2cc(Br)sc2Cl)cc1 ZINC000433613468 979425808 /nfs/dbraw/zinc/42/58/08/979425808.db2.gz WNIAALVRHXZMDB-IBGZPJMESA-N 0 2 414.755 3.702 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc(OCC(F)(F)F)cn1 ZINC000433979685 979730787 /nfs/dbraw/zinc/73/07/87/979730787.db2.gz DXHRILUJAYIVIK-UHFFFAOYSA-N 0 2 414.796 3.869 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCC(F)(c2ccccc2)CC1 ZINC000434370658 980119210 /nfs/dbraw/zinc/11/92/10/980119210.db2.gz BKLHPASIMOZLDW-UHFFFAOYSA-N 0 2 409.465 3.554 20 0 HHADLN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1 ZINC000434628073 980306759 /nfs/dbraw/zinc/30/67/59/980306759.db2.gz CDTLIIPYTZKXSO-KRWDZBQOSA-N 0 2 401.488 3.841 20 0 HHADLN CCCc1ccc(-c2cc(NS(=O)(=O)c3ccc(N(C)C(C)=O)cc3)[nH]n2)cc1 ZINC000434969169 980539053 /nfs/dbraw/zinc/53/90/53/980539053.db2.gz XFOGOKXZHKJCFH-UHFFFAOYSA-N 0 2 412.515 3.813 20 0 HHADLN COc1ccc(NC(C)=O)c(NS(=O)(=O)c2cccc(C)c2Br)c1 ZINC000435132593 980663957 /nfs/dbraw/zinc/66/39/57/980663957.db2.gz YIQXAIYYNGLEIO-UHFFFAOYSA-N 0 2 413.293 3.525 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C)cc1OCC ZINC000435139563 980670537 /nfs/dbraw/zinc/67/05/37/980670537.db2.gz ONZZHFZNDVFDPG-UHFFFAOYSA-N 0 2 401.488 3.779 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2ccnn2C(C)C)cc1Cl ZINC000435196767 980714333 /nfs/dbraw/zinc/71/43/33/980714333.db2.gz OGSMPYLCSPETNF-UHFFFAOYSA-N 0 2 408.705 3.689 20 0 HHADLN Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435485029 980896376 /nfs/dbraw/zinc/89/63/76/980896376.db2.gz SCAFBPDNFKQPKR-UHFFFAOYSA-N 0 2 405.278 3.944 20 0 HHADLN Cc1cc(S(C)(=O)=O)ccc1NS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435497431 980903611 /nfs/dbraw/zinc/90/36/11/980903611.db2.gz PIFHPUQEBHHXST-UHFFFAOYSA-N 0 2 412.291 3.645 20 0 HHADLN C[C@@H]1Oc2ccc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)cc2NC1=O ZINC000435500178 980904884 /nfs/dbraw/zinc/90/48/84/980904884.db2.gz FVFOCTKGWDUWLE-ZETCQYMHSA-N 0 2 405.234 3.653 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccn2)s1)c1c(Cl)cc(F)cc1Cl ZINC000435723990 981003312 /nfs/dbraw/zinc/00/33/12/981003312.db2.gz QXPMHGPHZYGBHF-UHFFFAOYSA-N 0 2 405.263 3.847 20 0 HHADLN C[C@@H]1[C@@H](C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)[C@H]1c1ccccc1 ZINC000435756993 981017993 /nfs/dbraw/zinc/01/79/93/981017993.db2.gz WSYBWDCUQVNLNP-MORSLUCNSA-N 0 2 413.524 3.932 20 0 HHADLN O=C1CCCN1c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1 ZINC000436006985 981149430 /nfs/dbraw/zinc/14/94/30/981149430.db2.gz LNHPBHKDJOWQGK-UHFFFAOYSA-N 0 2 402.369 3.772 20 0 HHADLN O=S(=O)(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cnc(-c2ccccc2)nc1 ZINC000436013749 981155198 /nfs/dbraw/zinc/15/51/98/981155198.db2.gz OCCXPOLEZQHHQM-IBGZPJMESA-N 0 2 411.483 3.502 20 0 HHADLN O=C(Nc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1)C1CC1 ZINC000436015612 981156790 /nfs/dbraw/zinc/15/67/90/981156790.db2.gz NTRIUWAHBCCIQA-UHFFFAOYSA-N 0 2 402.369 3.994 20 0 HHADLN CCCN1c2ccc(NS(=O)(=O)c3cnc(-c4ccccc4)nc3)cc2CCC1=O ZINC000436154199 981224576 /nfs/dbraw/zinc/22/45/76/981224576.db2.gz QTNHUAQROOCAPF-UHFFFAOYSA-N 0 2 422.510 3.634 20 0 HHADLN COc1cc(Br)cc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)c1 ZINC000436164559 981229674 /nfs/dbraw/zinc/22/96/74/981229674.db2.gz UTGLQHGJDCERPS-UHFFFAOYSA-N 0 2 420.288 3.716 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)c(OC)cc2Cl)c(OC)c1 ZINC000436185929 981240750 /nfs/dbraw/zinc/24/07/50/981240750.db2.gz NDJKZEPSFPEBCN-UHFFFAOYSA-N 0 2 420.270 3.598 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2ccc(Oc3nc(C)cs3)c(F)c2)c1 ZINC000436474810 981392357 /nfs/dbraw/zinc/39/23/57/981392357.db2.gz FLYBFXPZGAODEE-UHFFFAOYSA-N 0 2 410.448 3.898 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)Nc1ccc2c(c1)CCO2 ZINC000436501450 981404795 /nfs/dbraw/zinc/40/47/95/981404795.db2.gz FQXZHKWLXLUTLP-HXUWFJFHSA-N 0 2 420.513 3.866 20 0 HHADLN O=C(NC1CCN(c2nccs2)CC1)c1cc(Cl)cc(Br)c1O ZINC000436517966 981412737 /nfs/dbraw/zinc/41/27/37/981412737.db2.gz PNEAPLDXJBMMBC-UHFFFAOYSA-N 0 2 416.728 3.663 20 0 HHADLN COc1cc(CNC(=O)c2cc(F)c(O)c(F)c2)ccc1OCc1cccnc1 ZINC000436521247 981415203 /nfs/dbraw/zinc/41/52/03/981415203.db2.gz CTNSJQJOTDKCBN-UHFFFAOYSA-N 0 2 400.381 3.583 20 0 HHADLN COc1cccc(OC)c1Oc1ccc(CNC(=O)c2cc(F)c(O)c(F)c2)cn1 ZINC000436527091 981420107 /nfs/dbraw/zinc/42/01/07/981420107.db2.gz BZBSYPPSWWPPDF-UHFFFAOYSA-N 0 2 416.380 3.805 20 0 HHADLN CC[C@H](C(=O)N1CCC(NC(=O)c2cc(F)c(O)c(F)c2)CC1)c1ccccc1 ZINC000436531437 981423362 /nfs/dbraw/zinc/42/33/62/981423362.db2.gz CTKBTRNKRJOZOC-KRWDZBQOSA-N 0 2 402.441 3.585 20 0 HHADLN Cc1cccc(CC2(O)CCN(C(=O)c3cc(F)cc(Br)c3O)CC2)c1 ZINC000436532923 981424105 /nfs/dbraw/zinc/42/41/05/981424105.db2.gz YHAYXABNJHEOSW-UHFFFAOYSA-N 0 2 422.294 3.812 20 0 HHADLN Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c(O)c1C ZINC000436576870 981455881 /nfs/dbraw/zinc/45/58/81/981455881.db2.gz ROYBYKNNQCVAOB-UHFFFAOYSA-N 0 2 403.485 3.519 20 0 HHADLN CC(C)OCc1nc([C@@H](C)NC(=O)c2cc(Cl)cc(Br)c2O)no1 ZINC000436610087 981472919 /nfs/dbraw/zinc/47/29/19/981472919.db2.gz MMLBSYPRMSCRMB-MRVPVSSYSA-N 0 2 418.675 3.607 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CC[C@H](OCc2ccncc2)C1 ZINC000436624263 981480928 /nfs/dbraw/zinc/48/09/28/981480928.db2.gz KIWNPNZKHVQFAA-ZDUSSCGKSA-N 0 2 411.683 3.634 20 0 HHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000436636431 981486437 /nfs/dbraw/zinc/48/64/37/981486437.db2.gz RPUJJJOCGBGQGS-UHFFFAOYSA-N 0 2 421.753 3.700 20 0 HHADLN Cc1cc2[nH]ncc2cc1NC(=O)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000436669659 981502153 /nfs/dbraw/zinc/50/21/53/981502153.db2.gz AYAKYDVLDGGCCH-NRFANRHFSA-N 0 2 414.465 3.973 20 0 HHADLN Cc1noc(C2(C)CCN(C(=O)c3cc(Cl)cc(Br)c3O)CC2)n1 ZINC000436692587 981516067 /nfs/dbraw/zinc/51/60/67/981516067.db2.gz XJQNWPFFGUHXSO-UHFFFAOYSA-N 0 2 414.687 3.693 20 0 HHADLN O=C(Nc1sccc1C(=O)N1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1[O-] ZINC000436819593 981576040 /nfs/dbraw/zinc/57/60/40/981576040.db2.gz IJVJTXZGDCNVSM-UHFFFAOYSA-N 0 2 419.934 3.527 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000436846659 981587780 /nfs/dbraw/zinc/58/77/80/981587780.db2.gz IHDTZWIKGZSNPH-UHFFFAOYSA-N 0 2 413.674 3.910 20 0 HHADLN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cc(F)cc(Br)c2O)c1 ZINC000436850068 981589403 /nfs/dbraw/zinc/58/94/03/981589403.db2.gz XXQRZFPUURVBHO-LLVKDONJSA-N 0 2 423.282 3.752 20 0 HHADLN C[C@H](NC(=O)c1cc(F)cc(Br)c1O)c1noc(Cc2ccccc2)n1 ZINC000436850246 981590063 /nfs/dbraw/zinc/59/00/63/981590063.db2.gz GVEHLERKSLFQDS-JTQLQIEISA-N 0 2 420.238 3.759 20 0 HHADLN O=C(Nc1nc2ccc(F)cc2[nH]1)[C@@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000436852310 981591368 /nfs/dbraw/zinc/59/13/68/981591368.db2.gz IAEBHVNFZZKMGI-IBGZPJMESA-N 0 2 418.428 3.804 20 0 HHADLN O=C(Nc1nc2ccc(F)cc2[nH]1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000436852311 981591488 /nfs/dbraw/zinc/59/14/88/981591488.db2.gz IAEBHVNFZZKMGI-LJQANCHMSA-N 0 2 418.428 3.804 20 0 HHADLN COc1cc(C)c(CN(C)C(=O)c2cc(F)cc(Br)c2O)cc1OC ZINC000436853549 981592060 /nfs/dbraw/zinc/59/20/60/981592060.db2.gz QVVWLZDFOUZHIW-UHFFFAOYSA-N 0 2 412.255 3.892 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CC(Cc2ccc(F)c(F)c2)C1 ZINC000436854515 981592798 /nfs/dbraw/zinc/59/27/98/981592798.db2.gz SPWYDZWZDLFUST-UHFFFAOYSA-N 0 2 400.194 3.887 20 0 HHADLN CC(=O)c1ccc(O)c(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1 ZINC000436872604 981598126 /nfs/dbraw/zinc/59/81/26/981598126.db2.gz UQVRKOSEXMPPHN-UHFFFAOYSA-N 0 2 424.478 3.956 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(-c2nc(CCC(C)C)no2)c1 ZINC000436888513 981602213 /nfs/dbraw/zinc/60/22/13/981602213.db2.gz NMTNXXPXLUJTAJ-UHFFFAOYSA-N 0 2 417.487 3.840 20 0 HHADLN O=C(Nc1ccc2[nH]ccc2c1)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O ZINC000436937111 981634207 /nfs/dbraw/zinc/63/42/07/981634207.db2.gz XEVMILIICBJEAJ-UHFFFAOYSA-N 0 2 421.478 3.604 20 0 HHADLN COC(=O)C[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000436966772 981653558 /nfs/dbraw/zinc/65/35/58/981653558.db2.gz NLHYUSKXYVYLGI-CQSZACIVSA-N 0 2 403.303 3.723 20 0 HHADLN COc1cc([C@H](NC(=O)c2cc(F)c(O)c(F)c2)C(F)(F)F)cc(OC)c1OC ZINC000436967621 981653745 /nfs/dbraw/zinc/65/37/45/981653745.db2.gz QMBNQMDQWBRJBR-INIZCTEOSA-N 0 2 421.318 3.730 20 0 HHADLN CC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(Br)cc2Cl)c1 ZINC000437003776 981679824 /nfs/dbraw/zinc/67/98/24/981679824.db2.gz PSQRFFAWWZWIQD-UHFFFAOYSA-N 0 2 404.669 3.812 20 0 HHADLN CC(=O)c1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc1 ZINC000437172099 981826121 /nfs/dbraw/zinc/82/61/21/981826121.db2.gz NNQYNFQQDDQQQK-UHFFFAOYSA-N 0 2 407.904 3.786 20 0 HHADLN Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NS(=O)(=O)c1ccccc1Cl ZINC000448540356 981868295 /nfs/dbraw/zinc/86/82/95/981868295.db2.gz ZOWZEVJTGHVYHY-IUODEOHRSA-N 0 2 403.895 3.684 20 0 HHADLN CC(C)(C)c1cnc(NS(=O)(=O)c2cccc(I)c2)s1 ZINC000437308830 981961263 /nfs/dbraw/zinc/96/12/63/981961263.db2.gz SNWCNWQCYLHSSB-UHFFFAOYSA-N 0 2 422.313 3.846 20 0 HHADLN C[C@H]1CCc2nc(NS(=O)(=O)c3ccc(Br)c(F)c3)sc2C1 ZINC000437317116 981968867 /nfs/dbraw/zinc/96/88/67/981968867.db2.gz YROPYWGTNMKIBR-QMMMGPOBSA-N 0 2 405.314 3.970 20 0 HHADLN CC(C)(C)c1nc2ccc(S(=O)(=O)Nc3ccnn3C[C@@H]3CCOC3)cc2s1 ZINC000437324057 981974856 /nfs/dbraw/zinc/97/48/56/981974856.db2.gz ICBRFJJYNXITRX-ZDUSSCGKSA-N 0 2 420.560 3.628 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cc(CC(C)(C)C)nn2C)cc1Br ZINC000437399829 982044282 /nfs/dbraw/zinc/04/42/82/982044282.db2.gz ZWGHDHVTLCAJOA-UHFFFAOYSA-N 0 2 400.342 3.880 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2ccc3oc(C)nc3c2)cn1 ZINC000460433418 982223814 /nfs/dbraw/zinc/22/38/14/982223814.db2.gz DGQHPTDPPCAYDM-UHFFFAOYSA-N 0 2 418.862 3.785 20 0 HHADLN CC(=O)Nc1ccc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000460438885 982229836 /nfs/dbraw/zinc/22/98/36/982229836.db2.gz VZKHWKSTNOWJMW-UHFFFAOYSA-N 0 2 404.879 3.593 20 0 HHADLN O=S(=O)(Nc1cnc2c(Br)cccn12)c1ccc(C(F)(F)F)cc1 ZINC000460649875 982422532 /nfs/dbraw/zinc/42/25/32/982422532.db2.gz QALOBHRJHQFLQJ-UHFFFAOYSA-N 0 2 420.210 3.916 20 0 HHADLN CCCc1csc(NS(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)n1 ZINC000437947281 982478756 /nfs/dbraw/zinc/47/87/56/982478756.db2.gz NSDUFTRHUFLTGR-UHFFFAOYSA-N 0 2 402.501 3.544 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccc(Br)c(F)c2)cc1OC ZINC000460820660 982572281 /nfs/dbraw/zinc/57/22/81/982572281.db2.gz PDPFRSMUQSVHHO-UHFFFAOYSA-N 0 2 408.220 3.545 20 0 HHADLN COc1c(F)cc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1F ZINC000460830827 982580977 /nfs/dbraw/zinc/58/09/77/982580977.db2.gz TWBKUASQWDIHPR-UHFFFAOYSA-N 0 2 413.833 3.922 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)cc1 ZINC000460836644 982586475 /nfs/dbraw/zinc/58/64/75/982586475.db2.gz CTEBCPGATCNDEI-UHFFFAOYSA-N 0 2 406.552 3.719 20 0 HHADLN CN(C(=O)NCc1nnc(COc2ccccc2)[nH]1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000460883606 982622576 /nfs/dbraw/zinc/62/25/76/982622576.db2.gz OJAACFSKPHOXJA-OKILXGFUSA-N 0 2 411.428 3.646 20 0 HHADLN COCc1nc(CNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)cs1 ZINC000460960493 982691960 /nfs/dbraw/zinc/69/19/60/982691960.db2.gz FNCWVJKVEQXTCJ-UHFFFAOYSA-N 0 2 421.478 3.853 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)sc1C(C)C ZINC000461113995 982805256 /nfs/dbraw/zinc/80/52/56/982805256.db2.gz QTQAJNRTMWGVIG-UHFFFAOYSA-N 0 2 414.452 3.934 20 0 HHADLN Cn1cc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c(C2CC2)n1 ZINC000461330850 983021591 /nfs/dbraw/zinc/02/15/91/983021591.db2.gz IYUIUWWLMPUGJA-UHFFFAOYSA-N 0 2 424.242 3.880 20 0 HHADLN Cc1cccc(Cn2nccc2NS(=O)(=O)c2ccc(F)c(Br)c2)c1 ZINC000438780074 983066552 /nfs/dbraw/zinc/06/65/52/983066552.db2.gz WGNPUOOMFPQYKY-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)=N1 ZINC000438943728 983169841 /nfs/dbraw/zinc/16/98/41/983169841.db2.gz PCUWXMMWHLRPSO-UHFFFAOYSA-N 0 2 408.477 3.996 20 0 HHADLN COc1cc(CN(C)C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)cc(OC)c1 ZINC000438952568 983174689 /nfs/dbraw/zinc/17/46/89/983174689.db2.gz MRQHLXPEGRACKB-UHFFFAOYSA-N 0 2 409.486 3.991 20 0 HHADLN O=S(=O)(Nc1noc(-c2ccccc2Cl)n1)c1cnc(-c2ccccc2)nc1 ZINC000438987058 983196770 /nfs/dbraw/zinc/19/67/70/983196770.db2.gz SPURFXRHVDVACS-UHFFFAOYSA-N 0 2 413.846 3.648 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC(CC(=O)N4CCCC4)CC3)=N2)cc1 ZINC000439023944 983217061 /nfs/dbraw/zinc/21/70/61/983217061.db2.gz WMQPRBZUFSQRAM-UHFFFAOYSA-N 0 2 424.545 3.566 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)cc1N1CCCC1=O ZINC000439040141 983223568 /nfs/dbraw/zinc/22/35/68/983223568.db2.gz GSBDLVSHYNHRSG-UHFFFAOYSA-N 0 2 408.545 3.982 20 0 HHADLN CSc1nnnn1-c1cccc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)c1 ZINC000439039486 983223827 /nfs/dbraw/zinc/22/38/27/983223827.db2.gz CHKPVAJTWBSLPC-UHFFFAOYSA-N 0 2 409.562 3.544 20 0 HHADLN C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439243308 983327983 /nfs/dbraw/zinc/32/79/83/983327983.db2.gz DFWJMYUKSBOMPC-VIFPVBQESA-N 0 2 423.217 3.918 20 0 HHADLN CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)s1 ZINC000439252752 983333043 /nfs/dbraw/zinc/33/30/43/983333043.db2.gz YNUVFWDJHGWEFY-UHFFFAOYSA-N 0 2 409.240 3.890 20 0 HHADLN CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)C1 ZINC000439395342 983392411 /nfs/dbraw/zinc/39/24/11/983392411.db2.gz LBWHNFIHUHYXKB-ROUUACIJSA-N 0 2 412.534 3.515 20 0 HHADLN O=S(=O)(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cnc2ccsc2c1 ZINC000439575296 983457378 /nfs/dbraw/zinc/45/73/78/983457378.db2.gz VODKGMDRWCZVFL-UHFFFAOYSA-N 0 2 421.397 3.771 20 0 HHADLN Cc1cnn(-c2ccccc2)c1NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000439886361 983570087 /nfs/dbraw/zinc/57/00/87/983570087.db2.gz FZHFVKYMLMNKIC-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2N2CCOCC2)c(F)cc1F ZINC000440303351 983712415 /nfs/dbraw/zinc/71/24/15/983712415.db2.gz MDOPHVZQIPDCOH-UHFFFAOYSA-N 0 2 402.850 3.564 20 0 HHADLN Cc1ccc(Sc2nc(=NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)s[n-]2)cc1 ZINC000440318161 983718980 /nfs/dbraw/zinc/71/89/80/983718980.db2.gz TXCJFGLYJAGYHU-UHFFFAOYSA-N 0 2 407.524 3.917 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000440435322 983756796 /nfs/dbraw/zinc/75/67/96/983756796.db2.gz ROKKBBXVMWIDFK-UHFFFAOYSA-N 0 2 408.270 3.624 20 0 HHADLN O=S(=O)(Nc1cccc(CCC(F)(F)F)c1)c1cnn(C2CCOCC2)c1 ZINC000440832759 983928401 /nfs/dbraw/zinc/92/84/01/983928401.db2.gz MTBXUEWXTBHEOH-UHFFFAOYSA-N 0 2 403.426 3.530 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3ccc(OC)cc3s2)cc1Cl ZINC000441387410 984224433 /nfs/dbraw/zinc/22/44/33/984224433.db2.gz PTOSQHKUMIZEFW-UHFFFAOYSA-N 0 2 412.876 3.546 20 0 HHADLN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1ccccc1-n1cnnn1 ZINC000441738898 984423680 /nfs/dbraw/zinc/42/36/80/984423680.db2.gz KNSQBFQGMWTDLX-UHFFFAOYSA-N 0 2 405.892 3.640 20 0 HHADLN COc1ccc(Br)cc1S(=O)(=O)Nc1cc(Cl)cc(C)c1O ZINC000462102191 985072820 /nfs/dbraw/zinc/07/28/20/985072820.db2.gz KXYOFMRLNQRIBL-UHFFFAOYSA-N 0 2 406.685 3.926 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H]2CCc3ccccc32)c(F)c1Cl ZINC000462129509 985100400 /nfs/dbraw/zinc/10/04/00/985100400.db2.gz FWVFTDSAESUXPX-LBPRGKRZSA-N 0 2 414.861 3.585 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2c3ccccc3C[C@H]2C)c(F)c1Cl ZINC000462137318 985107510 /nfs/dbraw/zinc/10/75/10/985107510.db2.gz ITWZCCDVQWDNOE-XLFHBGCDSA-N 0 2 414.861 3.788 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC2(c3ccccc3)CC2)c(F)c1Cl ZINC000462151378 985122887 /nfs/dbraw/zinc/12/28/87/985122887.db2.gz NIIWGDHJLUNZPF-UHFFFAOYSA-N 0 2 400.834 3.544 20 0 HHADLN Cc1cnn(-c2ccc(NS(=O)(=O)c3cnccc3C(F)(F)F)cc2F)c1 ZINC000442811438 985223582 /nfs/dbraw/zinc/22/35/82/985223582.db2.gz CGBAXNZCQOAHPN-UHFFFAOYSA-N 0 2 400.357 3.534 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000442819689 985227050 /nfs/dbraw/zinc/22/70/50/985227050.db2.gz QNPKTNQXTQFGTO-UHFFFAOYSA-N 0 2 423.491 3.586 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(OC(F)F)c2)c(OC)c1 ZINC000442825244 985230163 /nfs/dbraw/zinc/23/01/63/985230163.db2.gz LCUGEDNCSDDXAM-UHFFFAOYSA-N 0 2 421.805 3.537 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000442830737 985234111 /nfs/dbraw/zinc/23/41/11/985234111.db2.gz RBEKLSMFTHEFPC-UHFFFAOYSA-N 0 2 406.485 3.916 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c(OC)c1 ZINC000442836001 985237993 /nfs/dbraw/zinc/23/79/93/985237993.db2.gz ZJGZPFVIMUUYEQ-UHFFFAOYSA-N 0 2 418.471 3.721 20 0 HHADLN CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3c(C)csc3C(=O)OC)c2)n1 ZINC000442843926 985242512 /nfs/dbraw/zinc/24/25/12/985242512.db2.gz QWIKGAQZJQVLQY-UHFFFAOYSA-N 0 2 421.500 3.565 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000462265863 985255264 /nfs/dbraw/zinc/25/52/64/985255264.db2.gz CMYYBUWGAFWDEE-UHFFFAOYSA-N 0 2 417.372 3.948 20 0 HHADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)[C@H](C)C1 ZINC000442901201 985269213 /nfs/dbraw/zinc/26/92/13/985269213.db2.gz NXTAGORGWVFUEQ-CYBMUJFWSA-N 0 2 408.420 3.555 20 0 HHADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(F)c(F)c([O-])c2F)[C@H](C)C1 ZINC000442901201 985269226 /nfs/dbraw/zinc/26/92/26/985269226.db2.gz NXTAGORGWVFUEQ-CYBMUJFWSA-N 0 2 408.420 3.555 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)c(F)c1Cl ZINC000462300330 985286377 /nfs/dbraw/zinc/28/63/77/985286377.db2.gz VDVYEHLCHDUWMI-YPMHNXCESA-N 0 2 418.824 3.550 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC(C)(C)c2cccs2)c(F)c1Cl ZINC000462335900 985326006 /nfs/dbraw/zinc/32/60/06/985326006.db2.gz CNXFMBUOCUINDS-UHFFFAOYSA-N 0 2 408.879 3.852 20 0 HHADLN Cc1cc2sc(NS(=O)(=O)c3cc4c5c(c3)CCCN5C(=O)C4)nc2c(C)c1 ZINC000462380099 985363425 /nfs/dbraw/zinc/36/34/25/985363425.db2.gz MHAOYXYPDPLYDB-UHFFFAOYSA-N 0 2 413.524 3.549 20 0 HHADLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)OC)cc3OC)sc2C1 ZINC000443136380 985399572 /nfs/dbraw/zinc/39/95/72/985399572.db2.gz BMPPDQIKIOBFAX-GFCCVEGCSA-N 0 2 424.544 3.644 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(OC)c1 ZINC000443139457 985401075 /nfs/dbraw/zinc/40/10/75/985401075.db2.gz XBHJWCFAKAUPFA-UHFFFAOYSA-N 0 2 423.796 3.955 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCc3ccccc32)c(F)c1Cl ZINC000462453724 985416634 /nfs/dbraw/zinc/41/66/34/985416634.db2.gz HJQZJVUOUFYRIV-CYBMUJFWSA-N 0 2 400.834 3.542 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(C3CCCCC3)s2)c(OC)c1 ZINC000443159412 985416765 /nfs/dbraw/zinc/41/67/65/985416765.db2.gz LNYKTBFLAMOIHQ-UHFFFAOYSA-N 0 2 410.517 3.787 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)c2c(F)cccc2F)c(F)c1Cl ZINC000462543796 985491938 /nfs/dbraw/zinc/49/19/38/985491938.db2.gz LTWYZYZXORMVTM-ZETCQYMHSA-N 0 2 424.803 3.894 20 0 HHADLN C=Cc1ccc(CCNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000462562938 985511093 /nfs/dbraw/zinc/51/10/93/985511093.db2.gz QCQIWAAHKWSNIQ-UHFFFAOYSA-N 0 2 413.524 3.559 20 0 HHADLN Cc1ccc(SCC(F)(F)F)c(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)c1 ZINC000443469634 985643850 /nfs/dbraw/zinc/64/38/50/985643850.db2.gz XNBMQUSYKGEIOR-LBPRGKRZSA-N 0 2 421.466 3.608 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CC(C)(C)OC(C)(C)C2)cc1 ZINC000468032467 985687546 /nfs/dbraw/zinc/68/75/46/985687546.db2.gz XRBMFOWALDHARS-UHFFFAOYSA-N 0 2 422.572 3.887 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cncc2ccccc21 ZINC000443576664 985751335 /nfs/dbraw/zinc/75/13/35/985751335.db2.gz CXSXKFCXJZRQLO-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN C[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccc(F)c1 ZINC000443582815 985757203 /nfs/dbraw/zinc/75/72/03/985757203.db2.gz OWVBKLXTWGPBFU-LBPRGKRZSA-N 0 2 405.476 3.825 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccc2cnccc21 ZINC000443587665 985763547 /nfs/dbraw/zinc/76/35/47/985763547.db2.gz AWLRHBFZGVFYQU-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN COc1ccccc1CCC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443594568 985771157 /nfs/dbraw/zinc/77/11/57/985771157.db2.gz XENJSZFAZOAXJA-UHFFFAOYSA-N 0 2 417.512 3.524 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cc(C)cc(Br)c1 ZINC000468345946 986042658 /nfs/dbraw/zinc/04/26/58/986042658.db2.gz MBJPASLQVGLOEC-UHFFFAOYSA-N 0 2 418.284 3.723 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(Br)c(F)c1 ZINC000468349477 986045807 /nfs/dbraw/zinc/04/58/07/986045807.db2.gz NQDYOFYSNMAKTM-UHFFFAOYSA-N 0 2 422.247 3.553 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000468356397 986053241 /nfs/dbraw/zinc/05/32/41/986053241.db2.gz BBNKKCOIOBFNAY-SNVBAGLBSA-N 0 2 424.828 3.968 20 0 HHADLN Cn1cnc(-c2ccc(C(=O)Nc3nc(-c4cc(Cl)ccc4Cl)n[nH]3)cc2)n1 ZINC000463166203 986137606 /nfs/dbraw/zinc/13/76/06/986137606.db2.gz RRWQZUWZFAXVMI-UHFFFAOYSA-N 0 2 414.256 3.826 20 0 HHADLN COc1cc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cc2c1OCCO2 ZINC000463169287 986141647 /nfs/dbraw/zinc/14/16/47/986141647.db2.gz IFSSRGXDQVMJGH-UHFFFAOYSA-N 0 2 421.240 3.811 20 0 HHADLN COC(=O)c1cccc(CC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c1 ZINC000463171856 986144242 /nfs/dbraw/zinc/14/42/42/986144242.db2.gz OUSHOQYTGOFVQA-UHFFFAOYSA-N 0 2 405.241 3.746 20 0 HHADLN Cc1cc2ncc(C(=O)Nc3nc(-c4cc(Cl)ccc4Cl)n[nH]3)c(C)n2n1 ZINC000463175037 986146599 /nfs/dbraw/zinc/14/65/99/986146599.db2.gz XZWAKVQFLVZHDA-UHFFFAOYSA-N 0 2 402.245 3.690 20 0 HHADLN CC[C@H](C)[C@H](NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(F)(F)F ZINC000443946043 986153008 /nfs/dbraw/zinc/15/30/08/986153008.db2.gz XMMPJUIUAMANPI-CPFSXVBKSA-N 0 2 404.813 3.693 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc(OC)cc(OC)c1 ZINC000468515389 986217971 /nfs/dbraw/zinc/21/79/71/986217971.db2.gz JWIIWHAFWIHONB-LBPRGKRZSA-N 0 2 415.895 3.572 20 0 HHADLN O=S(=O)(Nc1ccc(-n2ccnc2)c(F)c1)c1ccc(C(F)(F)F)cc1F ZINC000444050881 986249745 /nfs/dbraw/zinc/24/97/45/986249745.db2.gz JQCWBGPVOIPMSO-UHFFFAOYSA-N 0 2 403.332 3.970 20 0 HHADLN Cc1occc1-c1nnc(NS(=O)(=O)c2ccc(Br)c(Cl)c2)o1 ZINC000444061196 986262718 /nfs/dbraw/zinc/26/27/18/986262718.db2.gz AAHRZWFYQFTHMW-UHFFFAOYSA-N 0 2 418.656 3.855 20 0 HHADLN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2ccc(Cl)c3ccccc32)s1 ZINC000444197041 986375222 /nfs/dbraw/zinc/37/52/22/986375222.db2.gz RFAIZVWRGANTMO-UHFFFAOYSA-N 0 2 405.892 3.844 20 0 HHADLN CCOc1cc(N2CCOC(C)(C)C2)ccc1NS(=O)(=O)c1cc(C)oc1C ZINC000444198933 986377394 /nfs/dbraw/zinc/37/73/94/986377394.db2.gz QDWOBBFQIMPZKW-UHFFFAOYSA-N 0 2 408.520 3.711 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCN(c3cccc(Cl)c3)CC2)=N1 ZINC000468726305 986439651 /nfs/dbraw/zinc/43/96/51/986439651.db2.gz BPULYXSHDKXNMA-UHFFFAOYSA-N 0 2 414.868 3.641 20 0 HHADLN Cc1ccccc1[C@H]1CN(C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)[C@@H](C)CO1 ZINC000468744234 986457976 /nfs/dbraw/zinc/45/79/76/986457976.db2.gz PTINJXCHJFAAED-HRAATJIYSA-N 0 2 409.461 3.936 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)cc1F ZINC000468854643 986564614 /nfs/dbraw/zinc/56/46/14/986564614.db2.gz GXWJUFKVTFMBDS-UHFFFAOYSA-N 0 2 405.432 3.900 20 0 HHADLN C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000444408677 986589478 /nfs/dbraw/zinc/58/94/78/986589478.db2.gz HTFORBFTNWMQCS-ORAYPTAESA-N 0 2 415.852 3.973 20 0 HHADLN COc1cc(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)ccc1F ZINC000468884659 986591350 /nfs/dbraw/zinc/59/13/50/986591350.db2.gz JLYPALMVVTYBDJ-UHFFFAOYSA-N 0 2 407.492 3.813 20 0 HHADLN Cc1cc2cc[nH]c2cc1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000444446575 986631873 /nfs/dbraw/zinc/63/18/73/986631873.db2.gz KFZKNJOUFCKOQY-UHFFFAOYSA-N 0 2 412.496 3.986 20 0 HHADLN COc1cc(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)ccc1F ZINC000468933914 986639202 /nfs/dbraw/zinc/63/92/02/986639202.db2.gz LHCZEUBLNAVGFN-UHFFFAOYSA-N 0 2 413.883 3.731 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000468979810 986684455 /nfs/dbraw/zinc/68/44/55/986684455.db2.gz OEDKGWKHOZDPTJ-CYBMUJFWSA-N 0 2 421.906 3.945 20 0 HHADLN CC[C@H](C)[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(F)(F)F ZINC000444537703 986727171 /nfs/dbraw/zinc/72/71/71/986727171.db2.gz AUTUQCKLZQQZLP-GXFFZTMASA-N 0 2 421.466 3.651 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2c(C)noc2-c2ccccc2)c1C ZINC000463778796 986769100 /nfs/dbraw/zinc/76/91/00/986769100.db2.gz CUKOKDXPTGJQPZ-UHFFFAOYSA-N 0 2 403.460 3.572 20 0 HHADLN COCCc1cc(O)ccc1NC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000444615642 986801078 /nfs/dbraw/zinc/80/10/78/986801078.db2.gz ZBQMVPSUYPXYLC-UHFFFAOYSA-N 0 2 416.275 3.986 20 0 HHADLN CC(C)c1ccccc1S(=O)(=O)Nc1nc(CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000469127494 986846872 /nfs/dbraw/zinc/84/68/72/986846872.db2.gz QDYCIGALOBEMMU-GASCZTMLSA-N 0 2 409.577 3.677 20 0 HHADLN Cc1ccc(CS(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1F ZINC000469213241 986935346 /nfs/dbraw/zinc/93/53/46/986935346.db2.gz XTFUOQSQVCPJQJ-UHFFFAOYSA-N 0 2 406.460 3.928 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(-c2nc(-c3ccoc3)no2)c1 ZINC000445455397 987522549 /nfs/dbraw/zinc/52/25/49/987522549.db2.gz PLLWNMFRAGNLEE-UHFFFAOYSA-N 0 2 413.411 3.512 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)s2)cc1Br ZINC000469985019 987601145 /nfs/dbraw/zinc/60/11/45/987601145.db2.gz XJMNRGLUDFRJRL-UHFFFAOYSA-N 0 2 420.354 3.699 20 0 HHADLN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2OC(F)F)cc1 ZINC000470436083 988405696 /nfs/dbraw/zinc/40/56/96/988405696.db2.gz ATKVQZWXMWQORX-UHFFFAOYSA-N 0 2 416.421 3.710 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(F)ccc2OC(F)F)cc1Cl ZINC000470443644 988419240 /nfs/dbraw/zinc/41/92/40/988419240.db2.gz KFJXBUBBYSAKAQ-UHFFFAOYSA-N 0 2 408.785 3.840 20 0 HHADLN Cn1c(=O)ccc2ccc(NC(=O)c3[nH]nc(-c4ccccc4)c3Br)cc21 ZINC000470444077 988420364 /nfs/dbraw/zinc/42/03/64/988420364.db2.gz DBGUIQSSCCDNKZ-UHFFFAOYSA-N 0 2 423.270 3.943 20 0 HHADLN CCOC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2Cl)cc(OC)cc1OC ZINC000470447890 988426736 /nfs/dbraw/zinc/42/67/36/988426736.db2.gz HFPYXOBEZWYIOA-UHFFFAOYSA-N 0 2 413.879 3.643 20 0 HHADLN O=S(=O)(Nc1ccccc1O[C@@H]1CCOC1)c1ccccc1OC(F)(F)F ZINC000470455130 988438802 /nfs/dbraw/zinc/43/88/02/988438802.db2.gz IFAUQTQNNHAZPI-GFCCVEGCSA-N 0 2 403.378 3.554 20 0 HHADLN CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(OC)c(Br)c2)[nH]n1 ZINC000470492867 988485662 /nfs/dbraw/zinc/48/56/62/988485662.db2.gz QZJPNIDGHIGCQT-JTQLQIEISA-N 0 2 402.314 3.885 20 0 HHADLN O=S(=O)(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1cc(F)ccc1F ZINC000464420125 988591915 /nfs/dbraw/zinc/59/19/15/988591915.db2.gz GIBZKEIPHRUXMG-UHFFFAOYSA-N 0 2 418.469 3.674 20 0 HHADLN CC(C)CCC1CCN(C(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)CC1 ZINC000470774272 988821689 /nfs/dbraw/zinc/82/16/89/988821689.db2.gz RXJHVCBFLOVCNY-UHFFFAOYSA-N 0 2 424.592 3.571 20 0 HHADLN Cc1c2nc(NS(=O)(=O)c3cncc(Br)c3)sc2ccc1F ZINC000464893909 989163215 /nfs/dbraw/zinc/16/32/15/989163215.db2.gz NXZITFCPOUSBFZ-UHFFFAOYSA-N 0 2 402.270 3.702 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2nc3c(ccc(F)c3C)s2)c(F)c1 ZINC000464908533 989184081 /nfs/dbraw/zinc/18/40/81/989184081.db2.gz CBVLYLRVERWDKA-UHFFFAOYSA-N 0 2 415.418 3.781 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C)c3F)cc2)nc(C)n1 ZINC000471097073 989193398 /nfs/dbraw/zinc/19/33/98/989193398.db2.gz ZPFPZCMIGKBMTP-UHFFFAOYSA-N 0 2 414.462 3.594 20 0 HHADLN CSc1nc(C(C)(C)C)nc(C)c1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000471139341 989250156 /nfs/dbraw/zinc/25/01/56/989250156.db2.gz JNJARKCYQDZUSY-UHFFFAOYSA-N 0 2 417.560 3.787 20 0 HHADLN Cc1cc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)nn1-c1c(F)cccc1F ZINC000471306470 989468230 /nfs/dbraw/zinc/46/82/30/989468230.db2.gz ILOMEWXDRXNRAI-UHFFFAOYSA-N 0 2 416.338 3.775 20 0 HHADLN Cc1c(I)cccc1C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000471393935 989571746 /nfs/dbraw/zinc/57/17/46/989571746.db2.gz ZFDLDWZZOPARBT-UHFFFAOYSA-N 0 2 421.263 3.792 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2cc(Br)ccc2F)c(C)cc1C ZINC000471568881 989769900 /nfs/dbraw/zinc/76/99/00/989769900.db2.gz BOLAIDADWGFXPZ-UHFFFAOYSA-N 0 2 416.268 3.792 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1 ZINC000471916794 990083667 /nfs/dbraw/zinc/08/36/67/990083667.db2.gz DDNZXTQQBMLXRT-UHFFFAOYSA-N 0 2 405.451 3.952 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1nc(C2CC2)c(Cc2ccccc2F)s1 ZINC000471920850 990087578 /nfs/dbraw/zinc/08/75/78/990087578.db2.gz BXWBWVQCVUVRGA-UHFFFAOYSA-N 0 2 406.508 3.768 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ccc(Oc2cccc(Br)c2)nc1 ZINC000471933633 990099305 /nfs/dbraw/zinc/09/93/05/990099305.db2.gz TVNUUPGPNVWTRY-UHFFFAOYSA-N 0 2 423.292 3.654 20 0 HHADLN Cc1cc(C(=O)NCC(C)C)ccc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000471944133 990107745 /nfs/dbraw/zinc/10/77/45/990107745.db2.gz XIKLACHDZJBVFT-UHFFFAOYSA-N 0 2 403.479 3.802 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(C(=O)OC)cc(F)c2C)c1C1CC1 ZINC000471952717 990116792 /nfs/dbraw/zinc/11/67/92/990116792.db2.gz HUZFCRSCMBRDLY-NSHDSACASA-N 0 2 409.483 3.766 20 0 HHADLN O=C1N=NCN1c1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 ZINC000471983355 990149687 /nfs/dbraw/zinc/14/96/87/990149687.db2.gz AXCHDMROHZTWHU-UHFFFAOYSA-N 0 2 419.677 3.734 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(OC2CCCC2)c(F)c1 ZINC000466284439 991531689 /nfs/dbraw/zinc/53/16/89/991531689.db2.gz AMUZHZIPHVVJOI-UHFFFAOYSA-N 0 2 411.426 3.874 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000466347508 991607349 /nfs/dbraw/zinc/60/73/49/991607349.db2.gz RPFYVTLWMUKLPT-UHFFFAOYSA-N 0 2 406.460 3.900 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000466351861 991614978 /nfs/dbraw/zinc/61/49/78/991614978.db2.gz DTLFIWIDCNVNLP-UHFFFAOYSA-N 0 2 406.435 3.852 20 0 HHADLN COC(=O)c1ccc(C(C)C)c(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1 ZINC000466468439 991758985 /nfs/dbraw/zinc/75/89/85/991758985.db2.gz GNGPSRQCLVECIJ-UHFFFAOYSA-N 0 2 417.462 3.722 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cnn1-c1ccccc1 ZINC000466472249 991763624 /nfs/dbraw/zinc/76/36/24/991763624.db2.gz GPMFXNSONZBZAF-UHFFFAOYSA-N 0 2 410.499 3.510 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cc(COc2ccccc2F)on1 ZINC000466869765 992190683 /nfs/dbraw/zinc/19/06/83/992190683.db2.gz DOPJBJBSRJKYEP-UHFFFAOYSA-N 0 2 402.432 3.647 20 0 HHADLN CC(C)c1cnc(NS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)s1 ZINC000467011963 992319491 /nfs/dbraw/zinc/31/94/91/992319491.db2.gz AICPJSLESINQQQ-GFCCVEGCSA-N 0 2 400.497 3.622 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)s1 ZINC000467074158 992379954 /nfs/dbraw/zinc/37/99/54/992379954.db2.gz JKPNKYXLMDBAOZ-UHFFFAOYSA-N 0 2 409.924 3.618 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2Oc2cccc(C)c2)cn1C ZINC000467077206 992383237 /nfs/dbraw/zinc/38/32/37/992383237.db2.gz ZOYAUODHAMWZFL-UHFFFAOYSA-N 0 2 400.456 3.713 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](C)c3cn(C(C)(C)C)nc3C)s[nH]2)c1 ZINC000467458678 992752497 /nfs/dbraw/zinc/75/24/97/992752497.db2.gz RHJLFANWLIVVBI-GFCCVEGCSA-N 0 2 414.535 3.778 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000481116765 993952334 /nfs/dbraw/zinc/95/23/34/993952334.db2.gz WQPOMXXQBZBCRC-UHFFFAOYSA-N 0 2 422.478 3.706 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC[C@H](C(F)(F)F)[C@@H]3C)s[nH]2)c1 ZINC000481151749 993985773 /nfs/dbraw/zinc/98/57/73/993985773.db2.gz SOZFUDZPIHOKMZ-GWCFXTLKSA-N 0 2 400.426 3.830 20 0 HHADLN CCS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1 ZINC000473412496 994265514 /nfs/dbraw/zinc/26/55/14/994265514.db2.gz YNOQIFFWDBCATR-UHFFFAOYSA-N 0 2 412.291 3.727 20 0 HHADLN Cc1cc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)ccc1Br ZINC000473502532 994350672 /nfs/dbraw/zinc/35/06/72/994350672.db2.gz KDDVKCTVUJLIGF-UHFFFAOYSA-N 0 2 416.279 3.776 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2[nH]nc(-c3ccccc3)c2C)c(Br)c1 ZINC000481820519 994670688 /nfs/dbraw/zinc/67/06/88/994670688.db2.gz XTTYJSXVNTVDAO-UHFFFAOYSA-N 0 2 422.304 3.957 20 0 HHADLN CCCCCc1nnc(NS(=O)(=O)c2ccc(OC)cc2Br)s1 ZINC000481821836 994672131 /nfs/dbraw/zinc/67/21/31/994672131.db2.gz FRYPTBLMXLCYQC-UHFFFAOYSA-N 0 2 420.354 3.843 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1nc(Cc2ccccc2)cs1 ZINC000473763593 994678330 /nfs/dbraw/zinc/67/83/30/994678330.db2.gz KKAILMVGIBFYBL-UHFFFAOYSA-N 0 2 420.498 3.753 20 0 HHADLN Cc1cc2c(cc1S(=O)(=O)Nc1nnc(Cc3ccc(Cl)cc3)s1)OCO2 ZINC000481848325 994704465 /nfs/dbraw/zinc/70/44/65/994704465.db2.gz NUBFRXPAHKENEI-UHFFFAOYSA-N 0 2 423.903 3.620 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3cc(F)ccc3C)s2)c(C)c1 ZINC000481850205 994706835 /nfs/dbraw/zinc/70/68/35/994706835.db2.gz VCVKIYHWALBYSD-UHFFFAOYSA-N 0 2 421.475 3.548 20 0 HHADLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)s1 ZINC000481857321 994714971 /nfs/dbraw/zinc/71/49/71/994714971.db2.gz JDXCZMTXPVBLHD-UHFFFAOYSA-N 0 2 403.382 3.871 20 0 HHADLN CC(C)CCOc1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3)o2)cc1 ZINC000481870943 994733910 /nfs/dbraw/zinc/73/39/10/994733910.db2.gz RKWJTJYRCNAYGR-UHFFFAOYSA-N 0 2 401.488 3.886 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccccc2)cn1)c1ccc(F)cc1Br ZINC000481871688 994734234 /nfs/dbraw/zinc/73/42/34/994734234.db2.gz HQYQLUYUOPCNHB-UHFFFAOYSA-N 0 2 408.252 3.846 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2cc(F)cc(Cl)c2)nc1)c1ccccc1 ZINC000481872043 994735685 /nfs/dbraw/zinc/73/56/85/994735685.db2.gz UAKHWZQANNEHBV-UHFFFAOYSA-N 0 2 405.838 3.927 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3cc(F)c(C)cc3s2)cc1Cl ZINC000481875769 994740659 /nfs/dbraw/zinc/74/06/59/994740659.db2.gz QSXRYFYGAHCALN-UHFFFAOYSA-N 0 2 414.867 3.985 20 0 HHADLN Cc1ccccc1CCNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000473817114 994744058 /nfs/dbraw/zinc/74/40/58/994744058.db2.gz IMUFQFYQBGXHSA-UHFFFAOYSA-N 0 2 416.528 3.617 20 0 HHADLN Cc1cc2sc(NS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)nc2cc1F ZINC000481881868 994746910 /nfs/dbraw/zinc/74/69/10/994746910.db2.gz ACESOPXCOKEOEP-UHFFFAOYSA-N 0 2 405.476 3.819 20 0 HHADLN Cc1c(Br)cccc1S(=O)(=O)Nc1nnc(Cc2ccccc2)o1 ZINC000481888813 994755967 /nfs/dbraw/zinc/75/59/67/994755967.db2.gz YUTRZHVOANXYKF-UHFFFAOYSA-N 0 2 408.277 3.532 20 0 HHADLN O=C(Nc1cc([C@@H]2CCCO2)[nH]n1)c1[nH]nc(-c2ccccc2)c1Br ZINC000473849030 994785665 /nfs/dbraw/zinc/78/56/65/994785665.db2.gz VCDLATMVCGTZMN-LBPRGKRZSA-N 0 2 402.252 3.666 20 0 HHADLN O=S(=O)(Nc1ccc(-c2ccccc2)cn1)c1ccc(OCC(F)(F)F)nc1 ZINC000481915949 994787937 /nfs/dbraw/zinc/78/79/37/994787937.db2.gz AKDYAIHMBGQGRV-UHFFFAOYSA-N 0 2 409.389 3.886 20 0 HHADLN CC(C)Oc1ccc([C@H](C)NC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000473886544 994835872 /nfs/dbraw/zinc/83/58/72/994835872.db2.gz PTVORTOMHOPBOI-INIZCTEOSA-N 0 2 409.490 3.731 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)c2ccccc12 ZINC000481959329 994843807 /nfs/dbraw/zinc/84/38/07/994843807.db2.gz GCIQGWXORUFXCP-UHFFFAOYSA-N 0 2 420.288 3.757 20 0 HHADLN CC(C)Oc1cccc([C@@H](C)NC(=O)NCc2nnc(COc3ccccc3)[nH]2)c1 ZINC000473897805 994854962 /nfs/dbraw/zinc/85/49/62/994854962.db2.gz XHAFGIGPVFVFLB-MRXNPFEDSA-N 0 2 409.490 3.731 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473907566 994869090 /nfs/dbraw/zinc/86/90/90/994869090.db2.gz SDHAUEDUUZBZNZ-UHFFFAOYSA-N 0 2 422.290 3.664 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3ccc(OC4CCC4)c(F)c3)c(F)cc2N1 ZINC000481976779 994871079 /nfs/dbraw/zinc/87/10/79/994871079.db2.gz BJHSAPMOLNVOND-UHFFFAOYSA-N 0 2 408.426 3.582 20 0 HHADLN CCOC(=O)c1oc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)nc1C ZINC000481988928 994888400 /nfs/dbraw/zinc/88/84/00/994888400.db2.gz MMRFBEZAUKJLCY-UHFFFAOYSA-N 0 2 413.666 3.921 20 0 HHADLN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474029594 995021297 /nfs/dbraw/zinc/02/12/97/995021297.db2.gz HOLBSVOKQOOYHR-KRWDZBQOSA-N 0 2 413.909 3.858 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000474038221 995028237 /nfs/dbraw/zinc/02/82/37/995028237.db2.gz RMNKAHGUNBYJAX-DZGCQCFKSA-N 0 2 411.428 3.552 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NCC1(c2cccc(Cl)c2)CC1 ZINC000474043555 995034062 /nfs/dbraw/zinc/03/40/62/995034062.db2.gz ZKQZOLZQYIXXLS-UHFFFAOYSA-N 0 2 411.893 3.568 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000474088172 995070720 /nfs/dbraw/zinc/07/07/20/995070720.db2.gz HIEXDLUDSVKYCZ-KQDNUWKFSA-N 0 2 403.486 3.771 20 0 HHADLN C[C@]1(Cc2ccccc2)CCCN1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474091856 995074702 /nfs/dbraw/zinc/07/47/02/995074702.db2.gz YQNKXYGGMLCNHU-HSZRJFAPSA-N 0 2 405.502 3.691 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NC1(Cc2ccccc2)CCCC1 ZINC000474093214 995075348 /nfs/dbraw/zinc/07/53/48/995075348.db2.gz DKUSVPDYFIGLFD-UHFFFAOYSA-N 0 2 405.502 3.738 20 0 HHADLN Cc1cnc(NS(=O)(=O)c2cc(Br)c(C)cc2Br)o1 ZINC000474408887 995375624 /nfs/dbraw/zinc/37/56/24/995375624.db2.gz CEAGPDHYBYVEMV-UHFFFAOYSA-N 0 2 410.087 3.617 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3ccccn3)s2)c(Cl)c1Cl ZINC000474411644 995377722 /nfs/dbraw/zinc/37/77/22/995377722.db2.gz HNESEBDIYSSYLQ-UHFFFAOYSA-N 0 2 417.299 3.716 20 0 HHADLN Cc1cc(NS(=O)(=O)c2c(C)cc(C(C)(C)C)cc2C)n(-c2ccc(C)nn2)n1 ZINC000474414297 995380213 /nfs/dbraw/zinc/38/02/13/995380213.db2.gz KVRRZMYHTHEPJX-UHFFFAOYSA-N 0 2 413.547 3.994 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1csc(CCc2ccccc2)n1 ZINC000474571344 995533055 /nfs/dbraw/zinc/53/30/55/995533055.db2.gz BBHZFBVESFPAJQ-UHFFFAOYSA-N 0 2 419.510 3.555 20 0 HHADLN C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474573034 995534719 /nfs/dbraw/zinc/53/47/19/995534719.db2.gz DSACBXXEEZPYIU-MRXNPFEDSA-N 0 2 408.502 3.765 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000474572575 995535032 /nfs/dbraw/zinc/53/50/32/995535032.db2.gz GHQFSJCKHQXEMO-HZPDHXFCSA-N 0 2 416.403 3.822 20 0 HHADLN O=C(CCSc1ccccc1Cl)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474576617 995538168 /nfs/dbraw/zinc/53/81/68/995538168.db2.gz OGXBAHVEJBQTNX-UHFFFAOYSA-N 0 2 402.907 3.836 20 0 HHADLN O=C(CCc1cccc(OC2CCCC2)c1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474577622 995538696 /nfs/dbraw/zinc/53/86/96/995538696.db2.gz NQUVHZBNXIYILC-UHFFFAOYSA-N 0 2 420.513 3.954 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cc(-c2cccc(Cl)c2)no1 ZINC000474580098 995540545 /nfs/dbraw/zinc/54/05/45/995540545.db2.gz OOIMHMGAXUXHQD-UHFFFAOYSA-N 0 2 409.833 3.622 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cc(Cl)cc(Br)c1 ZINC000474582880 995542849 /nfs/dbraw/zinc/54/28/49/995542849.db2.gz PVIIVMCEQDRXAS-UHFFFAOYSA-N 0 2 421.682 3.730 20 0 HHADLN O=C(CCC(=O)c1csc2ccccc12)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474588231 995547529 /nfs/dbraw/zinc/54/75/29/995547529.db2.gz YBOSUCFGWJOQAL-UHFFFAOYSA-N 0 2 420.494 3.878 20 0 HHADLN C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474590441 995549009 /nfs/dbraw/zinc/54/90/09/995549009.db2.gz VJDIGWRTUIJTNL-LBPRGKRZSA-N 0 2 421.284 3.774 20 0 HHADLN C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474592284 995550902 /nfs/dbraw/zinc/55/09/02/995550902.db2.gz NJBSVWICWXEEAA-AWEZNQCLSA-N 0 2 418.419 3.898 20 0 HHADLN Cc1cccc2c(=O)c(C(=O)N3CCO[C@@H](c4ccc(F)c(Cl)c4)C3)c[nH]c12 ZINC000482959259 995882344 /nfs/dbraw/zinc/88/23/44/995882344.db2.gz KSMSPXJDXWTKNA-GOSISDBHSA-N 0 2 400.837 3.843 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)NCc1cccc(-c2ccccn2)c1 ZINC000483196433 996031580 /nfs/dbraw/zinc/03/15/80/996031580.db2.gz JLNDZYRIFGVLQM-UHFFFAOYSA-N 0 2 405.483 3.801 20 0 HHADLN Cc1ccc(CCC(=O)N=c2nc(-c3cccnc3)[nH]s2)c(Br)c1 ZINC000483251721 996061438 /nfs/dbraw/zinc/06/14/38/996061438.db2.gz FSIAFTIXGATFKE-UHFFFAOYSA-N 0 2 403.305 3.664 20 0 HHADLN Cc1cccc2c(=O)c(C(=O)N3CCO[C@H](c4ccc(OC(F)F)cc4)C3)c[nH]c12 ZINC000483297275 996086306 /nfs/dbraw/zinc/08/63/06/996086306.db2.gz SQPLTNHJJNEDQP-SFHVURJKSA-N 0 2 414.408 3.652 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(F)cc(NCC(F)(F)F)c1 ZINC000475784484 996369248 /nfs/dbraw/zinc/36/92/48/996369248.db2.gz AGAHKATUSCYARZ-UHFFFAOYSA-N 0 2 424.372 3.543 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc(F)cc(NCC(F)(F)F)c1 ZINC000475811198 996385823 /nfs/dbraw/zinc/38/58/23/996385823.db2.gz QJKAIBKSWFNIOU-UHFFFAOYSA-N 0 2 424.347 3.526 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2ccc(-c3csc(C(F)(F)F)n3)cc2)cn1 ZINC000475825722 996395485 /nfs/dbraw/zinc/39/54/85/996395485.db2.gz BYFZXHLTMMJRPH-UHFFFAOYSA-N 0 2 402.423 3.846 20 0 HHADLN COc1cc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc(-n2cccn2)c1 ZINC000475830222 996398924 /nfs/dbraw/zinc/39/89/24/996398924.db2.gz JUDGNCIUFVJDGL-UHFFFAOYSA-N 0 2 413.377 3.580 20 0 HHADLN CS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000476223619 996687770 /nfs/dbraw/zinc/68/77/70/996687770.db2.gz CGNTWGKSYPDWPK-UHFFFAOYSA-N 0 2 413.826 3.563 20 0 HHADLN C[C@@](CO)(CNC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)Cc1ccccc1 ZINC000484337507 996712013 /nfs/dbraw/zinc/71/20/13/996712013.db2.gz CAKKZLUHUPEEPT-FQEVSTJZSA-N 0 2 416.934 3.643 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)CCc3c(C)nn(CC(C)C)c3C)s[nH]2)c1 ZINC000476327622 996759154 /nfs/dbraw/zinc/75/91/54/996759154.db2.gz VUFIODBVQNCNCR-UHFFFAOYSA-N 0 2 413.547 3.676 20 0 HHADLN CN(CCC1CCCCC1)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476423108 996890207 /nfs/dbraw/zinc/89/02/07/996890207.db2.gz JSNYIAGWHPADLL-UHFFFAOYSA-N 0 2 407.561 3.986 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000484567094 996900572 /nfs/dbraw/zinc/90/05/72/996900572.db2.gz GROMYOALGOIXNI-INIZCTEOSA-N 0 2 411.907 3.845 20 0 HHADLN CN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1CCc2ccccc21 ZINC000476431554 996902783 /nfs/dbraw/zinc/90/27/83/996902783.db2.gz RAKYMCWCRCOOSA-SFHVURJKSA-N 0 2 413.524 3.703 20 0 HHADLN CCC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1)C(C)C ZINC000484571034 996904163 /nfs/dbraw/zinc/90/41/63/996904163.db2.gz YLBIMCWSJVBMMM-SFHVURJKSA-N 0 2 404.536 3.905 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CC2(CC2)c2ccccc21 ZINC000476522780 997011171 /nfs/dbraw/zinc/01/11/71/997011171.db2.gz HAZWFRCELXTHRE-UHFFFAOYSA-N 0 2 411.508 3.636 20 0 HHADLN CCN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H](C)c1cccnc1 ZINC000476524496 997013318 /nfs/dbraw/zinc/01/33/18/997013318.db2.gz IVDNIFQNKWJHMR-CQSZACIVSA-N 0 2 416.528 3.562 20 0 HHADLN Cc1ccc(NC(=O)C(=O)NCC2(C)CCC(C)CC2)c(OC[C@H]2CCCO2)c1 ZINC000484709781 997049001 /nfs/dbraw/zinc/04/90/01/997049001.db2.gz WULDWXJDTBHOGY-BISSLNBESA-N 0 2 402.535 3.824 20 0 HHADLN C[C@H]1Cc2ccccc2CN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476686789 997226898 /nfs/dbraw/zinc/22/68/98/997226898.db2.gz FVNISULXYIVLOY-AWEZNQCLSA-N 0 2 413.524 3.531 20 0 HHADLN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476688636 997228417 /nfs/dbraw/zinc/22/84/17/997228417.db2.gz IYARGCJXGSFNTN-CJNGLKHVSA-N 0 2 407.561 3.889 20 0 HHADLN CC(C)Oc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476712565 997255047 /nfs/dbraw/zinc/25/50/47/997255047.db2.gz FKEWXRIDJDDSFD-UHFFFAOYSA-N 0 2 417.512 3.983 20 0 HHADLN O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476720203 997266510 /nfs/dbraw/zinc/26/65/10/997266510.db2.gz RZBGSWPHMZKPRB-UHFFFAOYSA-N 0 2 417.556 3.643 20 0 HHADLN CCOc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476725996 997273679 /nfs/dbraw/zinc/27/36/79/997273679.db2.gz HZULPRIUMICEOI-UHFFFAOYSA-N 0 2 403.485 3.595 20 0 HHADLN O=C(Nc1ccc(Cl)c(F)c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476739366 997291169 /nfs/dbraw/zinc/29/11/69/997291169.db2.gz ANUTXSFSRNWMMG-UHFFFAOYSA-N 0 2 411.867 3.989 20 0 HHADLN CC(C)(C)c1csc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)n1 ZINC000476741459 997292808 /nfs/dbraw/zinc/29/28/08/997292808.db2.gz FHMPJCCOZDOILA-UHFFFAOYSA-N 0 2 422.557 3.950 20 0 HHADLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 ZINC000485007468 997372294 /nfs/dbraw/zinc/37/22/94/997372294.db2.gz XKZDMKLIIUEXTH-UHFFFAOYSA-N 0 2 423.462 3.836 20 0 HHADLN Cc1nc(-c2cccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)c2)n[nH]1 ZINC000485075618 997444605 /nfs/dbraw/zinc/44/46/05/997444605.db2.gz FVMBAFMSTQKUJV-UHFFFAOYSA-N 0 2 400.357 3.739 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)CCCCCC2)c1cncc(Br)c1 ZINC000476907508 997513363 /nfs/dbraw/zinc/51/33/63/997513363.db2.gz FUKZLAGCPNVPDQ-UHFFFAOYSA-N 0 2 402.339 3.760 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cccc(Cl)c2F)nc1C(C)(C)C ZINC000476911740 997519334 /nfs/dbraw/zinc/51/93/34/997519334.db2.gz CGKGEECVKMHOPJ-UHFFFAOYSA-N 0 2 406.888 3.821 20 0 HHADLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3cc(C(=O)OC)ccc3OC)sc2C1 ZINC000476926994 997540909 /nfs/dbraw/zinc/54/09/09/997540909.db2.gz MVEFCOAGQQVOIO-GFCCVEGCSA-N 0 2 424.544 3.644 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc(OC)c1OC ZINC000485346774 997768096 /nfs/dbraw/zinc/76/80/96/997768096.db2.gz FKQQUAWPAOLVJY-UHFFFAOYSA-N 0 2 409.357 3.671 20 0 HHADLN O=C(NCc1ccc(F)c(F)c1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485360523 997784851 /nfs/dbraw/zinc/78/48/51/997784851.db2.gz IGJWIYYNOBXZLX-UHFFFAOYSA-N 0 2 424.454 3.544 20 0 HHADLN C[C@H]1CCC[C@@H](CNC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000485361634 997786723 /nfs/dbraw/zinc/78/67/23/997786723.db2.gz KOBBBYFEDALCOU-UONOGXRCSA-N 0 2 408.549 3.892 20 0 HHADLN C[C@@H](c1ccco1)N(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485375910 997802119 /nfs/dbraw/zinc/80/21/19/997802119.db2.gz IYYQHBOBLNIADH-LBPRGKRZSA-N 0 2 406.489 3.762 20 0 HHADLN C[C@H]1C[C@H](NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C[C@@H](C)C1 ZINC000485381351 997808958 /nfs/dbraw/zinc/80/89/58/997808958.db2.gz JMJSNTKLOWMEQP-NHAGDIPZSA-N 0 2 408.549 3.890 20 0 HHADLN Cc1ccc(NC(=O)Nc2ccccc2)cc1NS(=O)(=O)c1c(Cl)cnn1C ZINC000485397725 997826637 /nfs/dbraw/zinc/82/66/37/997826637.db2.gz BLLOLRWOQSQERV-UHFFFAOYSA-N 0 2 419.894 3.827 20 0 HHADLN O=S(=O)(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cc(F)ccc1Cl ZINC000485410125 997842909 /nfs/dbraw/zinc/84/29/09/997842909.db2.gz NCHVSHONVADSLF-UHFFFAOYSA-N 0 2 417.911 3.996 20 0 HHADLN CCn1cnnc1-c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000485429624 997866790 /nfs/dbraw/zinc/86/67/90/997866790.db2.gz SCJZGFTVAMEXSO-UHFFFAOYSA-N 0 2 414.384 3.924 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(Br)c(F)cc2F)cc1OC ZINC000485465750 997910909 /nfs/dbraw/zinc/91/09/09/997910909.db2.gz GQUQNCDJGTXFPS-UHFFFAOYSA-N 0 2 408.220 3.545 20 0 HHADLN CC(C)(C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccccc1 ZINC000485486717 997939163 /nfs/dbraw/zinc/93/91/63/997939163.db2.gz BWVKHQIATAZNTQ-UHFFFAOYSA-N 0 2 401.513 3.860 20 0 HHADLN CCC1(CC)CCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 ZINC000485580286 998028274 /nfs/dbraw/zinc/02/82/74/998028274.db2.gz GIUHRNOXLYGULV-UHFFFAOYSA-N 0 2 407.561 3.986 20 0 HHADLN COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1cc(F)cc(Cl)c1 ZINC000477403484 998089316 /nfs/dbraw/zinc/08/93/16/998089316.db2.gz WLKQLHOZBFGWLS-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 ZINC000477420814 998108761 /nfs/dbraw/zinc/10/87/61/998108761.db2.gz QIOJBZUPXNVRSB-UHFFFAOYSA-N 0 2 404.419 3.685 20 0 HHADLN CCc1cc(Br)ccc1NS(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000477428176 998120161 /nfs/dbraw/zinc/12/01/61/998120161.db2.gz PPTYXEKJPAZIHV-UHFFFAOYSA-N 0 2 416.268 3.738 20 0 HHADLN Cc1n[nH]cc1C(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000485763345 998237495 /nfs/dbraw/zinc/23/74/95/998237495.db2.gz BSXZJYJFSLVCPR-UHFFFAOYSA-N 0 2 408.842 3.564 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C(C)C)ccc1C ZINC000486075335 998522144 /nfs/dbraw/zinc/52/21/44/998522144.db2.gz DTDJNDNJXQNZCT-UHFFFAOYSA-N 0 2 407.536 3.948 20 0 HHADLN CO[C@@]1(C)CCCN(C(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)CC1 ZINC000477833400 998589033 /nfs/dbraw/zinc/58/90/33/998589033.db2.gz YMKRUCFQTYYGQL-FQEVSTJZSA-N 0 2 422.572 3.889 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1cccc2cnccc21 ZINC000486526941 998808240 /nfs/dbraw/zinc/80/82/40/998808240.db2.gz BSMOFULORXFENX-UHFFFAOYSA-N 0 2 420.281 3.923 20 0 HHADLN CC1(C)CCc2nc(NS(=O)(=O)c3cc(F)ccc3Br)ncc2C1 ZINC000486560528 998826214 /nfs/dbraw/zinc/82/62/14/998826214.db2.gz UVQKUZCLQWHQHO-UHFFFAOYSA-N 0 2 414.300 3.694 20 0 HHADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCO[C@@H](c2ccccc2F)C1 ZINC000478282340 998862953 /nfs/dbraw/zinc/86/29/53/998862953.db2.gz PGWBOVHGNPMUTB-GOSISDBHSA-N 0 2 401.825 3.584 20 0 HHADLN O=C(CCCc1nnc(-c2ccccc2)o1)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000478313678 998881785 /nfs/dbraw/zinc/88/17/85/998881785.db2.gz LSKOHXRXNLJKAC-UHFFFAOYSA-N 0 2 410.384 3.761 20 0 HHADLN CC(=O)c1cccc(OCCCC(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)c1 ZINC000478326516 998889767 /nfs/dbraw/zinc/88/97/67/998889767.db2.gz MMJLOEMZLGSICE-UHFFFAOYSA-N 0 2 400.385 3.750 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(-c2ccccc2)cnc1C ZINC000486727154 998910511 /nfs/dbraw/zinc/91/05/11/998910511.db2.gz YVLDAAXOHVYACD-UHFFFAOYSA-N 0 2 400.456 3.800 20 0 HHADLN O=C(N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)[C@H]1CCn2cncc2C1 ZINC000486781219 998937814 /nfs/dbraw/zinc/93/78/14/998937814.db2.gz SXXKIWYYLQEFKH-INIZCTEOSA-N 0 2 417.494 3.817 20 0 HHADLN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000478474681 998980944 /nfs/dbraw/zinc/98/09/44/998980944.db2.gz MODVSEISLSJTTN-UHFFFAOYSA-N 0 2 423.860 3.542 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)c1 ZINC000486888939 998993147 /nfs/dbraw/zinc/99/31/47/998993147.db2.gz URUOAXKRPMTIES-UHFFFAOYSA-N 0 2 420.487 3.851 20 0 HHADLN COc1cc(NS(=O)(=O)c2c(C)ccc3cccnc32)c(OC)c(C)c1OC ZINC000478681857 999086237 /nfs/dbraw/zinc/08/62/37/999086237.db2.gz ZJZSKBRKSFMTIP-UHFFFAOYSA-N 0 2 402.472 3.678 20 0 HHADLN CC[C@H](C)c1nnc([C@@H](C)NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)[nH]1 ZINC000487196029 999093598 /nfs/dbraw/zinc/09/35/98/999093598.db2.gz GXFYVUZDOZTCQA-VHSXEESVSA-N 0 2 405.915 3.795 20 0 HHADLN CC(C)Oc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1C(N)=O ZINC000478710459 999100404 /nfs/dbraw/zinc/10/04/04/999100404.db2.gz QISCZIIWMSAKOF-UHFFFAOYSA-N 0 2 409.316 3.742 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)Nc1ccn(CC(F)(F)F)n1 ZINC000487218020 999100764 /nfs/dbraw/zinc/10/07/64/999100764.db2.gz UJPIXNQXJMEHJG-UHFFFAOYSA-N 0 2 402.789 3.683 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)c(OC)c(C)c1OC ZINC000478712801 999101549 /nfs/dbraw/zinc/10/15/49/999101549.db2.gz SJSLDVVTSMAINT-UHFFFAOYSA-N 0 2 403.859 3.923 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000479084418 999286224 /nfs/dbraw/zinc/28/62/24/999286224.db2.gz XUJBVLPCIMRMTR-UHFFFAOYSA-N 0 2 416.952 3.891 20 0 HHADLN O=S(=O)(Nc1nnc(/C=C/c2ccco2)s1)c1cccc(Br)c1 ZINC000479161983 999303440 /nfs/dbraw/zinc/30/34/40/999303440.db2.gz KGGMPGMSPNPEHD-VOTSOKGWSA-N 0 2 412.290 3.865 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ccccc2)ccc1F ZINC000479264062 999353806 /nfs/dbraw/zinc/35/38/06/999353806.db2.gz SSTYGGVFISBUJG-UHFFFAOYSA-N 0 2 414.462 3.648 20 0 HHADLN CCc1ccc(O)c(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)c1 ZINC000488279299 999421563 /nfs/dbraw/zinc/42/15/63/999421563.db2.gz BYACJQWUUKOCJY-AWEZNQCLSA-N 0 2 411.907 3.824 20 0 HHADLN COc1ccc(C)cc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000488289504 999425359 /nfs/dbraw/zinc/42/53/59/999425359.db2.gz FRUBYJODPYZQPI-CQSZACIVSA-N 0 2 411.907 3.873 20 0 HHADLN O=S(=O)(Nc1ccc(-c2cncnc2)cc1)c1ccc(Br)cc1F ZINC000479489050 999440430 /nfs/dbraw/zinc/44/04/30/999440430.db2.gz OCPUWEKCTSFUEU-UHFFFAOYSA-N 0 2 408.252 3.846 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)c(F)c(F)c1 ZINC000479490039 999441396 /nfs/dbraw/zinc/44/13/96/999441396.db2.gz RCZDIGMOHNUXAJ-UHFFFAOYSA-N 0 2 409.813 3.973 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)c(Cl)c1 ZINC000479491906 999442392 /nfs/dbraw/zinc/44/23/92/999442392.db2.gz RJEKOPBXUZYLEH-GFCCVEGCSA-N 0 2 424.954 3.506 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1 ZINC000479500670 999446376 /nfs/dbraw/zinc/44/63/76/999446376.db2.gz VCCOUDJPLRBRJB-UHFFFAOYSA-N 0 2 416.455 3.658 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(Sc2ncccn2)cc1C ZINC000479521063 999458093 /nfs/dbraw/zinc/45/80/93/999458093.db2.gz ZEYRYJYLZCMWHS-UHFFFAOYSA-N 0 2 417.512 3.754 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc2n[nH]cc2cc1C ZINC000479521765 999458592 /nfs/dbraw/zinc/45/85/92/999458592.db2.gz JKIVYWOLHCIYFB-UHFFFAOYSA-N 0 2 409.895 3.741 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)cn1 ZINC000488380514 999466353 /nfs/dbraw/zinc/46/63/53/999466353.db2.gz PSYLGTPJDVPSMS-LBPRGKRZSA-N 0 2 421.910 3.503 20 0 HHADLN CN1CCc2ccc(S(=O)(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)cc21 ZINC000488425227 999483690 /nfs/dbraw/zinc/48/36/90/999483690.db2.gz FZVGRTDMKCBQEJ-UHFFFAOYSA-N 0 2 420.947 3.575 20 0 HHADLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1ccc(Br)cc1F ZINC000479572070 999483892 /nfs/dbraw/zinc/48/38/92/999483892.db2.gz YLUGBAMFOZKVSX-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN COc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)cc1O ZINC000479580878 999488427 /nfs/dbraw/zinc/48/84/27/999488427.db2.gz XXKRZISZLWZKDR-UHFFFAOYSA-N 0 2 418.496 3.824 20 0 HHADLN CCS[C@H](C)c1noc(CN(C)C(=O)C2=NN(c3ccccc3CC)CC2=O)n1 ZINC000488480515 999502367 /nfs/dbraw/zinc/50/23/67/999502367.db2.gz OXATZKZVQYMIOD-CYBMUJFWSA-N 0 2 415.519 3.610 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(F)ccc2Sc2nccn2C)c(F)c1 ZINC000479623339 999506077 /nfs/dbraw/zinc/50/60/77/999506077.db2.gz XSRQHSXRXQHBOG-UHFFFAOYSA-N 0 2 411.455 3.659 20 0 HHADLN Cc1cnc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)s1 ZINC000488559862 999527813 /nfs/dbraw/zinc/52/78/13/999527813.db2.gz OFKUUCKVELMAKX-CYBMUJFWSA-N 0 2 402.925 3.854 20 0 HHADLN O=S(=O)(Nc1cc(C2CCCC2)nn1-c1ccccc1)c1cnn(CC(F)F)c1 ZINC000488575995 999532984 /nfs/dbraw/zinc/53/29/84/999532984.db2.gz UVWGOUVGJXUTLH-UHFFFAOYSA-N 0 2 421.473 3.792 20 0 HHADLN CC[C@H](Cc1ccccc1Br)N(C)C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000479780901 999588734 /nfs/dbraw/zinc/58/87/34/999588734.db2.gz MOGOOOMZSLHHAE-CYBMUJFWSA-N 0 2 417.307 3.530 20 0 HHADLN O=S(=O)(Cc1cc(F)c(C(F)(F)F)cc1F)c1n[nH]c(-c2ccccc2)n1 ZINC000488915062 999645848 /nfs/dbraw/zinc/64/58/48/999645848.db2.gz JPLBWEDGZTVZBN-UHFFFAOYSA-N 0 2 403.332 3.743 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1c(F)cccc1F)c1cnn([C@H]2CCOC2)c1 ZINC000488972419 999661137 /nfs/dbraw/zinc/66/11/37/999661137.db2.gz HRELGRVGUKLYPA-ZDUSSCGKSA-N 0 2 405.426 3.591 20 0 HHADLN Cc1coc2ccc(NC(=O)c3sccc3S(=O)(=O)Nc3cnn(C)c3)cc12 ZINC000480061468 999705869 /nfs/dbraw/zinc/70/58/69/999705869.db2.gz CHXKOFMNYNKIMG-UHFFFAOYSA-N 0 2 416.484 3.589 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)c(F)c1 ZINC000480196763 999742232 /nfs/dbraw/zinc/74/22/32/999742232.db2.gz MAZCYVCJZRRKPA-UHFFFAOYSA-N 0 2 406.479 3.651 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(C(=O)OC)cc2)cnn1-c1ccccc1Cl ZINC000480220076 999748790 /nfs/dbraw/zinc/74/87/90/999748790.db2.gz GBDSHZDPZZDSDL-UHFFFAOYSA-N 0 2 419.890 3.676 20 0 HHADLN CCc1c(NS(=O)(=O)c2cnn(-c3ccccc3OC)c2)cnn1C(CC)CC ZINC000480235499 999752810 /nfs/dbraw/zinc/75/28/10/999752810.db2.gz XVGQKQHTKIJNNM-UHFFFAOYSA-N 0 2 417.535 3.802 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cnn1-c1cccc(C)c1 ZINC000480253125 999756939 /nfs/dbraw/zinc/75/69/39/999756939.db2.gz VYZRTIOOTWTQFD-UHFFFAOYSA-N 0 2 424.526 3.671 20 0 HHADLN Cc1cc(F)ccc1CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000489419847 999763532 /nfs/dbraw/zinc/76/35/32/999763532.db2.gz CQFUXFQKOFWSRF-UHFFFAOYSA-N 0 2 419.503 3.664 20 0 HHADLN CN(C(=O)C1=NN(c2ccccc2)CC1=O)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000480426394 999796080 /nfs/dbraw/zinc/79/60/80/999796080.db2.gz NDZWJHYTQGNZEJ-LPHOPBHVSA-N 0 2 418.280 3.615 20 0 HHADLN O=C(C/C=C/c1cccc(F)c1)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000490066083 999888039 /nfs/dbraw/zinc/88/80/39/999888039.db2.gz IRXUNVKNSKLVKG-DUXPYHPUSA-N 0 2 418.475 3.520 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1cc(C)c(Br)c(C)c1 ZINC000491588442 1000086592 /nfs/dbraw/zinc/08/65/92/1000086592.db2.gz ILMZSRHINLAPLY-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1nc[nH]n1)c1cccc(Cl)c1Br ZINC000491800456 1000095230 /nfs/dbraw/zinc/09/52/30/1000095230.db2.gz BWFLKBCWGRIUAQ-UHFFFAOYSA-N 0 2 413.684 3.688 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)cc1Cl ZINC000492163224 1000112674 /nfs/dbraw/zinc/11/26/74/1000112674.db2.gz WRIDGTKTMYFAQX-UHFFFAOYSA-N 0 2 405.911 3.722 20 0 HHADLN CCCc1nnc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)s1 ZINC000504517895 1000246314 /nfs/dbraw/zinc/24/63/14/1000246314.db2.gz HOGKYVKJFXVBDO-UHFFFAOYSA-N 0 2 414.709 3.846 20 0 HHADLN Cn1cc(CCC(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)cn1 ZINC000505203918 1000616672 /nfs/dbraw/zinc/61/66/72/1000616672.db2.gz LVDLVOIEUDSIFL-UHFFFAOYSA-N 0 2 405.483 3.724 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NCC(C)(C)c2ccc(Br)cc2)cn1 ZINC000495030930 1000789027 /nfs/dbraw/zinc/78/90/27/1000789027.db2.gz YYEIIIHAYAHIIE-UHFFFAOYSA-N 0 2 416.323 3.763 20 0 HHADLN C[C@H](NC(=O)C(C)(C)C)C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000505758073 1001008933 /nfs/dbraw/zinc/00/89/33/1001008933.db2.gz LPUHPNHWDOLIKR-AWEZNQCLSA-N 0 2 424.526 3.909 20 0 HHADLN Cc1ccc([C@@H](NC(=O)CSc2nc(=O)cc(O)n2C2CCCC2)C2CC2)cc1 ZINC000497424873 1001357127 /nfs/dbraw/zinc/35/71/27/1001357127.db2.gz AHXNGUUXVXAWTP-OAQYLSRUSA-N 0 2 413.543 3.732 20 0 HHADLN Cc1ccc2[nH+]c(COc3cccc(C(=O)Nc4n[n-]c(C(F)(F)F)n4)c3)cn2c1 ZINC000497506691 1001408907 /nfs/dbraw/zinc/40/89/07/1001408907.db2.gz QNPMMNAYUSPVAB-UHFFFAOYSA-N 0 2 416.363 3.611 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000497567036 1001438698 /nfs/dbraw/zinc/43/86/98/1001438698.db2.gz DZKZHEFDDPBSOR-UHFFFAOYSA-N 0 2 405.411 3.928 20 0 HHADLN Cc1cnn(C)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000506555519 1001458322 /nfs/dbraw/zinc/45/83/22/1001458322.db2.gz OZXBKRSQBRXUHO-UHFFFAOYSA-N 0 2 402.442 3.538 20 0 HHADLN CC(C)(C)c1cc(CS(=O)(=O)Nc2ccccc2OCc2cscn2)no1 ZINC000506647738 1001482230 /nfs/dbraw/zinc/48/22/30/1001482230.db2.gz HOWDJLCIMHVAPU-UHFFFAOYSA-N 0 2 407.517 3.950 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(C)C)cc2C(=O)OC)c1 ZINC000506652950 1001483771 /nfs/dbraw/zinc/48/37/71/1001483771.db2.gz IKNDHKWFSIGFOR-UHFFFAOYSA-N 0 2 407.488 3.552 20 0 HHADLN O=C(Nc1nc(Sc2ccccc2)ns1)c1nc[nH]c1C(=O)c1ccccc1 ZINC000497690512 1001486107 /nfs/dbraw/zinc/48/61/07/1001486107.db2.gz JJMBTOUWXKRCNL-UHFFFAOYSA-N 0 2 407.480 3.896 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccccc2OCC(F)(F)F)c1 ZINC000506674096 1001489960 /nfs/dbraw/zinc/48/99/60/1001489960.db2.gz GEYVVNOYUQKVMH-UHFFFAOYSA-N 0 2 405.394 3.584 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2OCC(F)(F)F)c1 ZINC000506707745 1001500313 /nfs/dbraw/zinc/50/03/13/1001500313.db2.gz NQOJWBDMWHLJBY-UHFFFAOYSA-N 0 2 419.421 3.892 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2OC[C@@H]2CCCO2)c1 ZINC000506707481 1001500424 /nfs/dbraw/zinc/50/04/24/1001500424.db2.gz LWWDZXDWTXSVKW-KRWDZBQOSA-N 0 2 421.515 3.509 20 0 HHADLN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)c(C)n1C(C)C ZINC000497789774 1001514772 /nfs/dbraw/zinc/51/47/72/1001514772.db2.gz JBDVRHQVNMPWHC-UHFFFAOYSA-N 0 2 419.532 3.590 20 0 HHADLN O=C(CC/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000497792207 1001515533 /nfs/dbraw/zinc/51/55/33/1001515533.db2.gz FEPRJWHCBONKPZ-XBXARRHUSA-N 0 2 414.512 3.771 20 0 HHADLN CCCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)cc1 ZINC000497802114 1001518482 /nfs/dbraw/zinc/51/84/82/1001518482.db2.gz GNTSKCPMVCXVMM-UHFFFAOYSA-N 0 2 402.501 3.544 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc3ccc(CC)cc3s2)c1 ZINC000506813532 1001544957 /nfs/dbraw/zinc/54/49/57/1001544957.db2.gz HARFPMUFNZSTRI-UHFFFAOYSA-N 0 2 404.513 3.765 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cn1)C1CC1 ZINC000506816075 1001545968 /nfs/dbraw/zinc/54/59/68/1001545968.db2.gz OXCGOVODDWCOBI-UHFFFAOYSA-N 0 2 419.812 3.903 20 0 HHADLN C[C@@H]1CN(Cc2csc(NS(=O)(=O)c3csc4ccccc43)n2)C[C@@H](C)O1 ZINC000506820042 1001548473 /nfs/dbraw/zinc/54/84/73/1001548473.db2.gz MKGNKKAVQMFWIQ-CHWSQXEVSA-N 0 2 423.585 3.768 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc3c(cccc3C)s2)c1 ZINC000506832227 1001555148 /nfs/dbraw/zinc/55/51/48/1001555148.db2.gz JTNPANCKHYDZFC-UHFFFAOYSA-N 0 2 406.485 3.591 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccnc(-c3ccccc3)c2)c1 ZINC000506834464 1001556762 /nfs/dbraw/zinc/55/67/62/1001556762.db2.gz YILBAOFJSPZJAT-UHFFFAOYSA-N 0 2 412.467 3.735 20 0 HHADLN Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ncc(C(F)(F)F)[nH]3)c2)c1 ZINC000506916491 1001592195 /nfs/dbraw/zinc/59/21/95/1001592195.db2.gz JOCULUKIPBZWEC-UHFFFAOYSA-N 0 2 424.404 3.790 20 0 HHADLN O=C(N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)c1cnn(CCF)c1 ZINC000498000564 1001598471 /nfs/dbraw/zinc/59/84/71/1001598471.db2.gz JSJIFJHMZRAPQA-UHFFFAOYSA-N 0 2 409.446 3.838 20 0 HHADLN CCOCCOc1ccccc1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000498375352 1001805974 /nfs/dbraw/zinc/80/59/74/1001805974.db2.gz GZTDYQQDXSIIAZ-UHFFFAOYSA-N 0 2 403.891 3.948 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3csc(-c4ncccc4F)n3)s[nH]2)c1 ZINC000507275792 1001959802 /nfs/dbraw/zinc/95/98/02/1001959802.db2.gz CTQWEJDMSONOAZ-UHFFFAOYSA-N 0 2 413.459 3.546 20 0 HHADLN CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(-c4ccccc4)nn3C(C)C)ccc21 ZINC000507309677 1001989588 /nfs/dbraw/zinc/98/95/88/1001989588.db2.gz ABYDEJOSFRWRAD-UHFFFAOYSA-N 0 2 424.526 3.841 20 0 HHADLN CC[C@@H]1C[C@@]1(NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1cccc(C)c1 ZINC000507360508 1002022956 /nfs/dbraw/zinc/02/29/56/1002022956.db2.gz NLDZTIKDGIOUOW-HXOBKFHXSA-N 0 2 405.502 3.817 20 0 HHADLN CC1(C)CC(=O)c2cc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)ccc2O1 ZINC000507568410 1002172880 /nfs/dbraw/zinc/17/28/80/1002172880.db2.gz TVHYVJPRUFLSAE-UHFFFAOYSA-N 0 2 415.446 3.556 20 0 HHADLN Cc1noc(C2(C)CCN(C(=O)C3=NN(c4cccc(C(C)C)c4)CC3=O)CC2)n1 ZINC000498798604 1002184227 /nfs/dbraw/zinc/18/42/27/1002184227.db2.gz YJRVNCWEQOTRQP-UHFFFAOYSA-N 0 2 409.490 3.587 20 0 HHADLN CNC(=O)Nc1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)ccc1F ZINC000507586904 1002192188 /nfs/dbraw/zinc/19/21/88/1002192188.db2.gz XRZYFSRMEZOYEA-UHFFFAOYSA-N 0 2 410.229 3.824 20 0 HHADLN CCc1cc(NS(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)ccc1F ZINC000507630122 1002232809 /nfs/dbraw/zinc/23/28/09/1002232809.db2.gz NITRUPARYKVSJW-UHFFFAOYSA-N 0 2 412.552 3.955 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000507900110 1002434368 /nfs/dbraw/zinc/43/43/68/1002434368.db2.gz AJIKEKUVGNERME-VIFPVBQESA-N 0 2 418.302 3.748 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C(C)=O)c(Cl)c2)c1 ZINC000507908085 1002443563 /nfs/dbraw/zinc/44/35/63/1002443563.db2.gz YTYUDJBSAKYYOG-UHFFFAOYSA-N 0 2 411.863 3.529 20 0 HHADLN COc1ccccc1CSc1ccccc1NS(=O)(=O)c1c(C)cnn1C ZINC000507938884 1002472925 /nfs/dbraw/zinc/47/29/25/1002472925.db2.gz SVQIFHUOVHHWCQ-UHFFFAOYSA-N 0 2 403.529 3.830 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cnc2c1Cl ZINC000499160251 1002546224 /nfs/dbraw/zinc/54/62/24/1002546224.db2.gz GOAVSQVMURYACD-UHFFFAOYSA-N 0 2 420.878 3.533 20 0 HHADLN CCc1cccc(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)o2)c1 ZINC000508070137 1002592193 /nfs/dbraw/zinc/59/21/93/1002592193.db2.gz UNKCMQSSOLMDSS-UHFFFAOYSA-N 0 2 408.277 3.862 20 0 HHADLN CN1C(=O)CC[C@H](C(=O)Nc2ccc3nn[nH]c3c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000508092639 1002616107 /nfs/dbraw/zinc/61/61/07/1002616107.db2.gz GIVITULQZURIMQ-KBXCAEBGSA-N 0 2 417.391 3.525 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)c(Br)c1 ZINC000508102943 1002627365 /nfs/dbraw/zinc/62/73/65/1002627365.db2.gz NJISVLSEYGSMNX-UHFFFAOYSA-N 0 2 417.350 3.909 20 0 HHADLN CC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)o2)cc1 ZINC000508110415 1002636478 /nfs/dbraw/zinc/63/64/78/1002636478.db2.gz PWMSUUWZTTWJDV-UHFFFAOYSA-N 0 2 422.260 3.503 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2nc3c(s2)CSCC3)c1 ZINC000508114246 1002643075 /nfs/dbraw/zinc/64/30/75/1002643075.db2.gz YPOKGIJQNNQGGS-UHFFFAOYSA-N 0 2 421.363 3.504 20 0 HHADLN O=S(=O)(Nc1ncc(-c2cccnc2)s1)c1ccc(F)c(Br)c1 ZINC000508142066 1002675903 /nfs/dbraw/zinc/67/59/03/1002675903.db2.gz IWTQLFDOKLZBEY-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN CC(C)(C)c1nnc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)o1 ZINC000508187033 1002721877 /nfs/dbraw/zinc/72/18/77/1002721877.db2.gz IYSZLTFIVSDGCB-UHFFFAOYSA-N 0 2 412.668 3.723 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nnc(CCC(C)C)o1 ZINC000508208187 1002740993 /nfs/dbraw/zinc/74/09/93/1002740993.db2.gz TXMGVXFPBUAECH-UHFFFAOYSA-N 0 2 422.290 3.552 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2scnc2-c2ccccc2)c1 ZINC000508230220 1002757775 /nfs/dbraw/zinc/75/77/75/1002757775.db2.gz IYDIAJIWPQQNBV-UHFFFAOYSA-N 0 2 402.497 3.717 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2c(C)ccc3cccnc32)c1OC(C)C ZINC000499491117 1002879053 /nfs/dbraw/zinc/87/90/53/1002879053.db2.gz GSEZLPSBRZBETI-UHFFFAOYSA-N 0 2 414.483 3.918 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)c1OC(C)C ZINC000499495024 1002883720 /nfs/dbraw/zinc/88/37/20/1002883720.db2.gz WAZUGHZLPQJJSV-UHFFFAOYSA-N 0 2 401.843 3.854 20 0 HHADLN Cc1cn(-c2ccc(Cl)cc2)nc1NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000499508522 1002897931 /nfs/dbraw/zinc/89/79/31/1002897931.db2.gz WQPMXDCGBHNAJA-XOBRGWDASA-N 0 2 421.950 3.971 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](C)c3ccccc3OC(F)F)=N2)cc1 ZINC000499542801 1002927142 /nfs/dbraw/zinc/92/71/42/1002927142.db2.gz FLYODECPZHIMJT-LBPRGKRZSA-N 0 2 403.385 3.679 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000499627327 1002994668 /nfs/dbraw/zinc/99/46/68/1002994668.db2.gz RDGYWBCCKFYEPK-UHFFFAOYSA-N 0 2 403.417 3.523 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCn2cccc2[C@@H]1c1ccccc1 ZINC000499781593 1003117799 /nfs/dbraw/zinc/11/77/99/1003117799.db2.gz OPYBRZASXJRYEL-QFIPXVFZSA-N 0 2 402.429 3.764 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N(CCc1ccccc1)Cc1cccnc1 ZINC000499841490 1003178265 /nfs/dbraw/zinc/17/82/65/1003178265.db2.gz PRQFEVUYRBSQCE-UHFFFAOYSA-N 0 2 416.456 3.997 20 0 HHADLN COCCCCN(Cc1ccccc1)C(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC000499845018 1003181117 /nfs/dbraw/zinc/18/11/17/1003181117.db2.gz DYWWQDYHMZBOQI-UHFFFAOYSA-N 0 2 409.486 3.656 20 0 HHADLN CCO[C@H]1C[C@@H](N(C)C(=O)C2=NN(c3ccc(OC)cc3)CC2=O)C12CCCCC2 ZINC000499846625 1003183214 /nfs/dbraw/zinc/18/32/14/1003183214.db2.gz KEIDUCKRBJWUKA-UXHICEINSA-N 0 2 413.518 3.786 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3C[C@@H](c4cc(C)ccc4C)OC[C@H]3C)=N2)cc1 ZINC000499863773 1003200167 /nfs/dbraw/zinc/20/01/67/1003200167.db2.gz RASVFXDAOHIZFO-VGSWGCGISA-N 0 2 421.497 3.806 20 0 HHADLN CC1CC[NH+](Cc2csc(NC(=O)c3nn(-c4ccc(F)cc4)cc3[O-])n2)CC1 ZINC000499892564 1003227224 /nfs/dbraw/zinc/22/72/24/1003227224.db2.gz LRLUYWJMYAEQMI-UHFFFAOYSA-N 0 2 415.494 3.658 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NCc3ccc(Oc4ccccc4)nc3)=N2)cc1 ZINC000499972031 1003289711 /nfs/dbraw/zinc/28/97/11/1003289711.db2.gz YVJJOAWKOGJIQQ-UHFFFAOYSA-N 0 2 416.437 3.704 20 0 HHADLN CCOc1ccc(C2=CCN(C(=O)C3=NN(c4ccc(OC)cc4)CC3=O)CC2)cc1 ZINC000500027904 1003353645 /nfs/dbraw/zinc/35/36/45/1003353645.db2.gz GEJGOLHSMVBYAD-UHFFFAOYSA-N 0 2 419.481 3.915 20 0 HHADLN O=S(=O)(Nc1cccc(-c2nc[nH]n2)c1)c1c(Cl)cccc1Br ZINC000509075211 1003535343 /nfs/dbraw/zinc/53/53/43/1003535343.db2.gz PITASUNCPUMQAU-UHFFFAOYSA-N 0 2 413.684 3.688 20 0 HHADLN O=S(=O)(Nc1cc(-c2ccoc2)nn1-c1ccccc1)c1cccc2c1OCO2 ZINC000509075913 1003536074 /nfs/dbraw/zinc/53/60/74/1003536074.db2.gz TZLWPRZRESAMAR-UHFFFAOYSA-N 0 2 409.423 3.662 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cc(C)cc(C)c2OC)nc1C(C)(C)C ZINC000509193349 1003616474 /nfs/dbraw/zinc/61/64/74/1003616474.db2.gz CQHLYZVAABVROL-UHFFFAOYSA-N 0 2 412.533 3.653 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1)C1CC1 ZINC000500324641 1003625455 /nfs/dbraw/zinc/62/54/55/1003625455.db2.gz FWQJHLNWNRHRAG-UHFFFAOYSA-N 0 2 413.268 3.738 20 0 HHADLN O=C(C[C@H]1CCCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1ccc(F)cc1 ZINC000500331890 1003629953 /nfs/dbraw/zinc/62/99/53/1003629953.db2.gz RMVIBXOEUDYUBF-GOSISDBHSA-N 0 2 411.408 3.734 20 0 HHADLN O=S(=O)(Nc1nccc(-c2ccco2)n1)c1ccc(Cl)cc1Br ZINC000500473474 1003736085 /nfs/dbraw/zinc/73/60/85/1003736085.db2.gz COAXYLTZHNTKLJ-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)cc1OC ZINC000500474992 1003737365 /nfs/dbraw/zinc/73/73/65/1003737365.db2.gz KPORXAPKBWEHJX-UHFFFAOYSA-N 0 2 422.459 3.545 20 0 HHADLN O=S(=O)(Nc1ccc(OCC(F)(F)F)cc1)c1cnn(Cc2ccccc2)c1 ZINC000509551990 1003940203 /nfs/dbraw/zinc/94/02/03/1003940203.db2.gz DXEMSDWLLHDFTC-UHFFFAOYSA-N 0 2 411.405 3.673 20 0 HHADLN O=C(NCCc1ccccc1)c1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1 ZINC000509551826 1003940186 /nfs/dbraw/zinc/94/01/86/1003940186.db2.gz CVPKETUHAMCYIR-UHFFFAOYSA-N 0 2 416.449 3.738 20 0 HHADLN COc1c(Cl)cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1Cl ZINC000509566332 1003949225 /nfs/dbraw/zinc/94/92/25/1003949225.db2.gz DXAUVIPPCRRYON-UHFFFAOYSA-N 0 2 419.261 3.827 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cc(Cl)c(OC)c(Cl)c2)cc1OC ZINC000509579085 1003957371 /nfs/dbraw/zinc/95/73/71/1003957371.db2.gz SQFKRKANHKYREJ-UHFFFAOYSA-N 0 2 410.250 3.959 20 0 HHADLN O=C(c1ccccc1)c1cccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1 ZINC000509613147 1003979523 /nfs/dbraw/zinc/97/95/23/1003979523.db2.gz IXKIXLVHZVQJDX-UHFFFAOYSA-N 0 2 424.453 3.742 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc3c(ccc(F)c3F)s2)c1 ZINC000500871433 1004018751 /nfs/dbraw/zinc/01/87/51/1004018751.db2.gz XRATZYHAFKFQJA-UHFFFAOYSA-N 0 2 418.830 3.815 20 0 HHADLN CCc1nc(NS(=O)(=O)c2cc(N(C)C)ccc2Br)sc1C ZINC000500878028 1004022935 /nfs/dbraw/zinc/02/29/35/1004022935.db2.gz VWUHKIUXPVDSGI-UHFFFAOYSA-N 0 2 404.355 3.643 20 0 HHADLN COC(=O)c1nccc2c1cccc2S(=O)(=O)Nc1ccnn1[C@H](C)CC(C)C ZINC000500879939 1004024070 /nfs/dbraw/zinc/02/40/70/1004024070.db2.gz FJVIVCINILNNOJ-CQSZACIVSA-N 0 2 416.503 3.626 20 0 HHADLN CO[C@H](C)c1nc(=NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)s[n-]1 ZINC000509679660 1004024563 /nfs/dbraw/zinc/02/45/63/1004024563.db2.gz OYIZHSYGLIPQRZ-RHSMWYFYSA-N 0 2 400.573 3.940 20 0 HHADLN CO[C@H](C)c1nc(=NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)s[n-]1 ZINC000509679660 1004024572 /nfs/dbraw/zinc/02/45/72/1004024572.db2.gz OYIZHSYGLIPQRZ-RHSMWYFYSA-N 0 2 400.573 3.940 20 0 HHADLN COc1ccc(C(=O)c2ccccc2C(=O)N=c2nc(-c3cccnc3)[nH]s2)cc1 ZINC000512336907 1004225854 /nfs/dbraw/zinc/22/58/54/1004225854.db2.gz PEEQAIUYNJUPRT-UHFFFAOYSA-N 0 2 416.462 3.514 20 0 HHADLN CCCCCn1nc(C)cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000512349282 1004237166 /nfs/dbraw/zinc/23/71/66/1004237166.db2.gz UGFYLFCTEFIXSP-UHFFFAOYSA-N 0 2 412.515 3.926 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccc(Cl)c2)ns1)c1cc(F)ccc1Cl ZINC000512367117 1004251210 /nfs/dbraw/zinc/25/12/10/1004251210.db2.gz PGPVIPRQCLPPTN-UHFFFAOYSA-N 0 2 404.275 3.874 20 0 HHADLN COc1ccc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)c(OC)c1 ZINC000512615607 1004428721 /nfs/dbraw/zinc/42/87/21/1004428721.db2.gz YAXOSHLPZGDOHS-UHFFFAOYSA-N 0 2 405.501 3.573 20 0 HHADLN COc1ccc2c(c1)oc(C(=O)N1CCC[C@H](c3n[nH]c(=O)[nH]3)C1)c2-c1ccccc1 ZINC000510258642 1004431220 /nfs/dbraw/zinc/43/12/20/1004431220.db2.gz ZYVDZHOYVWZEQV-HNNXBMFYSA-N 0 2 418.453 3.952 20 0 HHADLN CCOC(=O)[C@H](C(=O)CSc1nc(-c2ccc(F)cc2)c[nH]1)c1nc(C)cs1 ZINC000501610715 1004551131 /nfs/dbraw/zinc/55/11/31/1004551131.db2.gz FQLOUXSVFLBGPN-MRXNPFEDSA-N 0 2 419.503 3.989 20 0 HHADLN C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cncc(F)c2)cc1Cl ZINC000501799867 1004741912 /nfs/dbraw/zinc/74/19/12/1004741912.db2.gz SWMPFPUFEGMHFK-GFCCVEGCSA-N 0 2 411.886 3.690 20 0 HHADLN CC(C)c1nc([C@@H]2CCCCCN2C(=O)C2=NN(c3ccc(F)cc3)CC2=O)no1 ZINC000501860194 1004782530 /nfs/dbraw/zinc/78/25/30/1004782530.db2.gz LMUQQGXGIUNGQP-INIZCTEOSA-N 0 2 413.453 3.981 20 0 HHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000501981403 1004844510 /nfs/dbraw/zinc/84/45/10/1004844510.db2.gz DCYVQXFGIIACQJ-UHFFFAOYSA-N 0 2 421.327 3.797 20 0 HHADLN COc1ccccc1O[C@@H]1CCCN(C(=O)N=c2nc(-c3ccccc3)[nH]s2)C1 ZINC000513472798 1004981629 /nfs/dbraw/zinc/98/16/29/1004981629.db2.gz MHJZALFZLHKKFV-MRXNPFEDSA-N 0 2 410.499 3.711 20 0 HHADLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000502428508 1005072808 /nfs/dbraw/zinc/07/28/08/1005072808.db2.gz ZQAVEZRZAVZDKW-UHFFFAOYSA-N 0 2 401.826 3.604 20 0 HHADLN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000513815594 1005140790 /nfs/dbraw/zinc/14/07/90/1005140790.db2.gz XNFZJWNCRBMMPI-INIZCTEOSA-N 0 2 419.499 3.530 20 0 HHADLN Cc1ccc2c(n1)[nH]cc(C(=O)NCc1ccc(COCC(F)(F)F)cc1)c2=O ZINC000513832233 1005150466 /nfs/dbraw/zinc/15/04/66/1005150466.db2.gz FZKCDAMIPLESCM-UHFFFAOYSA-N 0 2 405.376 3.653 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2cccc([C@H](C)OC)c2)c1 ZINC000502812295 1005227839 /nfs/dbraw/zinc/22/78/39/1005227839.db2.gz FJBMQSIZERFECC-LBPRGKRZSA-N 0 2 411.451 3.519 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@H]1CCCC(F)(F)C1 ZINC000502989266 1005305791 /nfs/dbraw/zinc/30/57/91/1005305791.db2.gz GYQTVJCWSLNVGO-NSHDSACASA-N 0 2 401.460 3.708 20 0 HHADLN CCn1cc(S(=O)(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)nc1C ZINC000503847028 1005499832 /nfs/dbraw/zinc/49/98/32/1005499832.db2.gz QKFDLMNQNNSPQM-CYBMUJFWSA-N 0 2 415.359 3.812 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000504064062 1005544209 /nfs/dbraw/zinc/54/42/09/1005544209.db2.gz YTTALJHRKUGPLV-UHFFFAOYSA-N 0 2 409.769 3.668 20 0 HHADLN Cc1c(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)oc2c1C(=O)CCC2 ZINC000514561750 1006035922 /nfs/dbraw/zinc/03/59/22/1006035922.db2.gz BZULKRGSPCEEOU-UHFFFAOYSA-N 0 2 415.247 3.907 20 0 HHADLN COC(=O)CCC1CCN(C(=O)c2cc(Cl)cc(Br)c2O)CC1 ZINC000531236735 1006063237 /nfs/dbraw/zinc/06/32/37/1006063237.db2.gz XEOHTVQXHRBWEU-UHFFFAOYSA-N 0 2 404.688 3.614 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c(F)cc1F ZINC000531237646 1006063957 /nfs/dbraw/zinc/06/39/57/1006063957.db2.gz ARVKTIJDJIEOCV-UHFFFAOYSA-N 0 2 400.410 3.784 20 0 HHADLN CC[C@H](NC(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O)c1nnc2n1CCCCC2 ZINC000531257067 1006075615 /nfs/dbraw/zinc/07/56/15/1006075615.db2.gz CLWBEDKFMQHVLM-SFHVURJKSA-N 0 2 422.533 3.900 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(-c4cc(C)cc(C)c4)n[nH]3)cc2C[C@@H]1C ZINC000531257985 1006076280 /nfs/dbraw/zinc/07/62/80/1006076280.db2.gz ZZBXCDOUIZJWQI-HNNXBMFYSA-N 0 2 424.526 3.792 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCc2c(Br)cccc2C1 ZINC000531341857 1006134377 /nfs/dbraw/zinc/13/43/77/1006134377.db2.gz VAQFSXQCMUVADS-UHFFFAOYSA-N 0 2 415.316 3.980 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)NCc1cccc(COC2CCOCC2)c1 ZINC000531341342 1006134513 /nfs/dbraw/zinc/13/45/13/1006134513.db2.gz ZVMDOPUTCUFJFT-UHFFFAOYSA-N 0 2 424.526 3.644 20 0 HHADLN C[C@]12CCC[N@@H+]1C[C@H](c1noc([C@H]3CCn4c(cnc4C4CCCCC4)C3)n1)OC2 ZINC000514819163 1006150699 /nfs/dbraw/zinc/15/06/99/1006150699.db2.gz XVCUMMJPJFCVCZ-GEQKSPFYSA-N 0 2 411.550 3.970 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccn2)c2ccccc12 ZINC000534207754 1006201684 /nfs/dbraw/zinc/20/16/84/1006201684.db2.gz ZWONKVJZQMTUDW-UHFFFAOYSA-N 0 2 408.483 3.679 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)s2)cc1C ZINC000531450157 1006204271 /nfs/dbraw/zinc/20/42/71/1006204271.db2.gz JFEGCUQSQVBNOB-UHFFFAOYSA-N 0 2 407.492 3.776 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cnn([C@@H](C)CC)c2C2CC2)c1C ZINC000534234332 1006236042 /nfs/dbraw/zinc/23/60/42/1006236042.db2.gz GFXYOYUXUYLIJT-NSHDSACASA-N 0 2 408.524 3.654 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1C1CC1 ZINC000534236705 1006241253 /nfs/dbraw/zinc/24/12/53/1006241253.db2.gz AIETWOVTJBUBKL-CYBMUJFWSA-N 0 2 402.520 3.807 20 0 HHADLN CC(C)C[C@@H](C)OCCC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000531511687 1006241687 /nfs/dbraw/zinc/24/16/87/1006241687.db2.gz NPBJNLUHUOFLCL-CQSZACIVSA-N 0 2 411.549 3.724 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)=N1 ZINC000531622208 1006311787 /nfs/dbraw/zinc/31/17/87/1006311787.db2.gz FMXGPKFOOILFDR-INIZCTEOSA-N 0 2 413.518 3.724 20 0 HHADLN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)N=c2nc(-c3ccccc3)[nH]s2)C1 ZINC000531623094 1006312167 /nfs/dbraw/zinc/31/21/67/1006312167.db2.gz QKIVUGNGTXRJFA-AWEZNQCLSA-N 0 2 402.520 3.603 20 0 HHADLN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)s1 ZINC000515321126 1006393613 /nfs/dbraw/zinc/39/36/13/1006393613.db2.gz HOPGWNZSGOPMCD-UHFFFAOYSA-N 0 2 402.501 3.516 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)C1(c2ccc(Br)cc2)CCC1 ZINC000534439708 1006416996 /nfs/dbraw/zinc/41/69/96/1006416996.db2.gz CZUUICMQFSBKQF-UHFFFAOYSA-N 0 2 415.316 3.845 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)cc1F ZINC000515399990 1006439463 /nfs/dbraw/zinc/43/94/63/1006439463.db2.gz YKYMTVLYWWAMHN-SNVBAGLBSA-N 0 2 421.368 3.743 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc3[nH]c(-c4ccco4)nc3c2)cnn1-c1ccccn1 ZINC000531951322 1006540392 /nfs/dbraw/zinc/54/03/92/1006540392.db2.gz BJBHZYLSPXSLDQ-UHFFFAOYSA-N 0 2 420.454 3.513 20 0 HHADLN COc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1Cl ZINC000531956140 1006543960 /nfs/dbraw/zinc/54/39/60/1006543960.db2.gz ABXPZGUTFNIWNR-KRWDZBQOSA-N 0 2 404.938 3.910 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CC[C@]3(C2)CCc2ccccc2O3)=N1 ZINC000515720706 1006619335 /nfs/dbraw/zinc/61/93/35/1006619335.db2.gz SOGUDKBXCAZLDO-DEOSSOPVSA-N 0 2 403.482 3.750 20 0 HHADLN C[C@H]1CCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2[O-])C[C@@H]1n1cc[nH+]c1 ZINC000532091761 1006626994 /nfs/dbraw/zinc/62/69/94/1006626994.db2.gz LPBKVPDAOITBLB-BBRMVZONSA-N 0 2 419.407 3.517 20 0 HHADLN O=S(=O)(Nc1cncc2ccccc21)c1cc2c(cc1Br)OCCO2 ZINC000534673207 1006650942 /nfs/dbraw/zinc/65/09/42/1006650942.db2.gz CTROPLCJDULTMU-UHFFFAOYSA-N 0 2 421.272 3.569 20 0 HHADLN CCCc1occc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 ZINC000538401736 1006669608 /nfs/dbraw/zinc/66/96/08/1006669608.db2.gz ABLFCILRLKRSKO-UHFFFAOYSA-N 0 2 414.487 3.692 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2cnoc2-c2ccccc2)c1 ZINC000538496960 1006764310 /nfs/dbraw/zinc/76/43/10/1006764310.db2.gz RHSBHTKZNFFSMQ-UHFFFAOYSA-N 0 2 409.261 3.914 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(Cc3ccsc3)o2)ccc1C(F)(F)F ZINC000516123755 1006899821 /nfs/dbraw/zinc/89/98/21/1006899821.db2.gz KWAHGNSHNFADFV-UHFFFAOYSA-N 0 2 403.407 3.850 20 0 HHADLN COc1cccc(-c2cc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)n(C)n2)c1 ZINC000534942159 1006983616 /nfs/dbraw/zinc/98/36/16/1006983616.db2.gz RUZLBVGMSKWAQK-UHFFFAOYSA-N 0 2 411.405 3.915 20 0 HHADLN Cc1nc(CSc2ccccc2C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cs1 ZINC000535082098 1007096745 /nfs/dbraw/zinc/09/67/45/1007096745.db2.gz SARVXWPEXOIEBW-UHFFFAOYSA-N 0 2 415.544 3.587 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(-c3cccc(C)c3)s2)c(OC)c1 ZINC000516508451 1007118917 /nfs/dbraw/zinc/11/89/17/1007118917.db2.gz JEIHGDNMTNDJGA-UHFFFAOYSA-N 0 2 418.496 3.715 20 0 HHADLN CCNC(=O)c1cccc(NS(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000532768416 1007171144 /nfs/dbraw/zinc/17/11/44/1007171144.db2.gz TUUMARBEZHWYJP-UHFFFAOYSA-N 0 2 423.741 3.715 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000516657988 1007212331 /nfs/dbraw/zinc/21/23/31/1007212331.db2.gz NEVJUBGGHWSZOM-LSDHHAIUSA-N 0 2 404.923 3.846 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000535173201 1007216667 /nfs/dbraw/zinc/21/66/67/1007216667.db2.gz LWHCKBYRTXFIOD-UONOGXRCSA-N 0 2 401.289 3.527 20 0 HHADLN C[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC12CCC2 ZINC000538948327 1007234799 /nfs/dbraw/zinc/23/47/99/1007234799.db2.gz JNSSMDQYFARMNU-CQSZACIVSA-N 0 2 420.560 3.988 20 0 HHADLN O=S(=O)(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc2c(c1)CCO2 ZINC000532878615 1007262503 /nfs/dbraw/zinc/26/25/03/1007262503.db2.gz GFCBQKJEEKQLOJ-UHFFFAOYSA-N 0 2 423.516 3.705 20 0 HHADLN CN(CC(=O)Nc1ccccc1)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 ZINC000532905344 1007280550 /nfs/dbraw/zinc/28/05/50/1007280550.db2.gz FRMSHBJAOOPAPH-UHFFFAOYSA-N 0 2 422.485 3.861 20 0 HHADLN COc1ccc(-c2cc3[nH]c(Cn4cc(Br)cn4)nc(=O)c3s2)cc1 ZINC000535233940 1007287753 /nfs/dbraw/zinc/28/77/53/1007287753.db2.gz LVKRDOBXSKSVRS-UHFFFAOYSA-N 0 2 417.288 3.668 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cnn1-c1ccccc1 ZINC000532933027 1007306412 /nfs/dbraw/zinc/30/64/12/1007306412.db2.gz OIGFUCFHGWJJCN-UHFFFAOYSA-N 0 2 412.515 3.966 20 0 HHADLN CC(C)Oc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000539115766 1007403547 /nfs/dbraw/zinc/40/35/47/1007403547.db2.gz HWEQIJCSNDLMHP-IBGZPJMESA-N 0 2 412.515 3.785 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cccc(C[S@@](=O)C3CCOCC3)c2)sc1C ZINC000539117808 1007405796 /nfs/dbraw/zinc/40/57/96/1007405796.db2.gz VDWWGWFGSNMIMW-RUZDIDTESA-N 0 2 413.586 3.593 20 0 HHADLN COC(=O)c1cncc(S(=O)(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)c1 ZINC000517213130 1007509872 /nfs/dbraw/zinc/50/98/72/1007509872.db2.gz OPNPGRMMYPRMQO-UHFFFAOYSA-N 0 2 418.283 3.586 20 0 HHADLN CCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)oc1CC ZINC000533195413 1007529794 /nfs/dbraw/zinc/52/97/94/1007529794.db2.gz QRABSCRRZMZCCU-UHFFFAOYSA-N 0 2 405.501 3.914 20 0 HHADLN CC(C)c1nc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Br)no1 ZINC000533219763 1007543926 /nfs/dbraw/zinc/54/39/26/1007543926.db2.gz GZDIRXFOUJCSRH-UHFFFAOYSA-N 0 2 414.203 3.775 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)cc1Cl ZINC000535508450 1007563469 /nfs/dbraw/zinc/56/34/69/1007563469.db2.gz SWRANGSFLSIXOA-UHFFFAOYSA-N 0 2 420.869 3.889 20 0 HHADLN COc1cc(NS(=O)(=O)c2ccc(F)cc2F)cc(OC)c1Br ZINC000539399724 1007707279 /nfs/dbraw/zinc/70/72/79/1007707279.db2.gz ZLRVHWOWHXWMBX-UHFFFAOYSA-N 0 2 408.220 3.545 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1C1CC1 ZINC000535686903 1007719343 /nfs/dbraw/zinc/71/93/43/1007719343.db2.gz VPTVDHTWKNZIKO-ZDUSSCGKSA-N 0 2 403.483 3.857 20 0 HHADLN CC(=O)N1CCc2cc(S(=O)(=O)Nc3cnn(-c4cc(C)ccc4C)c3C)ccc21 ZINC000533464361 1007774946 /nfs/dbraw/zinc/77/49/46/1007774946.db2.gz PCNNWPFWTUZHQM-UHFFFAOYSA-N 0 2 424.526 3.507 20 0 HHADLN COc1ccnc2c(NS(=O)(=O)c3ccc(Br)c(F)c3)cccc12 ZINC000535767448 1007780439 /nfs/dbraw/zinc/78/04/39/1007780439.db2.gz YBQOTRWGXCKMKN-UHFFFAOYSA-N 0 2 411.252 3.946 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)c(C)o1 ZINC000539549227 1007861709 /nfs/dbraw/zinc/86/17/09/1007861709.db2.gz HGTPMHQONUBDSZ-UHFFFAOYSA-N 0 2 424.475 3.637 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2ccc3cccc(Br)c3n2)c1 ZINC000539553211 1007866562 /nfs/dbraw/zinc/86/65/62/1007866562.db2.gz LNEJZLGFRGWNBK-UHFFFAOYSA-N 0 2 421.272 3.585 20 0 HHADLN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1nc(-c2cccnc2)ns1 ZINC000535893854 1007914453 /nfs/dbraw/zinc/91/44/53/1007914453.db2.gz YGWQLFANCLDNKQ-UHFFFAOYSA-N 0 2 422.944 3.999 20 0 HHADLN COc1cccc(COc2cccc(NS(=O)(=O)c3c(C)n[nH]c3C)c2C)c1 ZINC000533689408 1008013772 /nfs/dbraw/zinc/01/37/72/1008013772.db2.gz KGDSEZBNVHWWAY-UHFFFAOYSA-N 0 2 401.488 3.723 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCCCSCC(C)C)c(F)c1Cl ZINC000533693932 1008017459 /nfs/dbraw/zinc/01/74/59/1008017459.db2.gz OEHNCQOOZZTYKP-UHFFFAOYSA-N 0 2 414.927 3.634 20 0 HHADLN Cc1ccc(-n2nc(C(=O)N=c3nc(-c4cccnc4)[nH]s3)c3c2CCCC3)cc1 ZINC000533723742 1008049945 /nfs/dbraw/zinc/04/99/45/1008049945.db2.gz KHLYTHXFCRXBOY-UHFFFAOYSA-N 0 2 416.510 3.647 20 0 HHADLN O=C(Nc1nnc(Cc2ccccc2F)s1)c1cccc(Br)c1O ZINC000518159573 1008188634 /nfs/dbraw/zinc/18/86/34/1008188634.db2.gz YQJKKLINRZBZCJ-UHFFFAOYSA-N 0 2 408.252 3.988 20 0 HHADLN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2C(=O)c2ccc(C)cc2)c1 ZINC000539944190 1008197794 /nfs/dbraw/zinc/19/77/94/1008197794.db2.gz VZPJYVFHMSHNIY-UHFFFAOYSA-N 0 2 423.490 3.978 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c(C(F)F)nc2c1)c1cnn(-c2ccccc2F)c1 ZINC000533939747 1008220367 /nfs/dbraw/zinc/22/03/67/1008220367.db2.gz UQDHJGOHOKRPLJ-UHFFFAOYSA-N 0 2 407.377 3.626 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c1Cl ZINC000533951023 1008228333 /nfs/dbraw/zinc/22/83/33/1008228333.db2.gz ZYXHMFQLXSFXFT-UHFFFAOYSA-N 0 2 408.328 3.815 20 0 HHADLN O=S(=O)(Nc1c[nH]nc1-c1ccccn1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000540077959 1008275588 /nfs/dbraw/zinc/27/55/88/1008275588.db2.gz FRLSWKKYGYQVMB-UHFFFAOYSA-N 0 2 402.785 3.945 20 0 HHADLN C[S@](=O)c1cccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 ZINC000518408049 1008292867 /nfs/dbraw/zinc/29/28/67/1008292867.db2.gz DPXFSZIZGJMCKA-DEOSSOPVSA-N 0 2 404.289 3.829 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(COc3ccccc3)cc2)cnn1-c1ccccn1 ZINC000540215115 1008339329 /nfs/dbraw/zinc/33/93/29/1008339329.db2.gz OMBFCCQHJHAQEU-UHFFFAOYSA-N 0 2 420.494 3.956 20 0 HHADLN COCc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cc1 ZINC000540331302 1008383683 /nfs/dbraw/zinc/38/36/83/1008383683.db2.gz SZNLKCDQDLXHFS-UHFFFAOYSA-N 0 2 410.467 3.959 20 0 HHADLN CC(C)S(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000540334812 1008385324 /nfs/dbraw/zinc/38/53/24/1008385324.db2.gz XRIMIKWAIOYPFR-UHFFFAOYSA-N 0 2 407.435 3.688 20 0 HHADLN Cc1ccc2cccc(NS(=O)(=O)c3cc(Cl)ccc3CS(C)(=O)=O)c2n1 ZINC000540339622 1008387836 /nfs/dbraw/zinc/38/78/36/1008387836.db2.gz QEULSNYTKYQBRB-UHFFFAOYSA-N 0 2 424.931 3.542 20 0 HHADLN Cc1ccc(-n2nc(C(=O)N=c3nc(-c4ccsc4)[nH]s3)c3c2CCC3)cc1 ZINC000518788199 1008420792 /nfs/dbraw/zinc/42/07/92/1008420792.db2.gz TWPLHJKULREFRK-UHFFFAOYSA-N 0 2 407.524 3.924 20 0 HHADLN CCCCCc1nnc(NS(=O)(=O)c2cc(Br)cc(OC)c2)s1 ZINC000545473160 1008580105 /nfs/dbraw/zinc/58/01/05/1008580105.db2.gz DVLQZXGVFUAANW-UHFFFAOYSA-N 0 2 420.354 3.843 20 0 HHADLN O=S(=O)(Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)c1ccc2c(c1)CCO2 ZINC000543022880 1008603992 /nfs/dbraw/zinc/60/39/92/1008603992.db2.gz MCEARUGBOFNTJJ-UHFFFAOYSA-N 0 2 409.389 3.627 20 0 HHADLN CCn1c(-c2cn(C)c3ccccc23)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000549041873 1008609223 /nfs/dbraw/zinc/60/92/23/1008609223.db2.gz XCINQZGPVYOXFW-UHFFFAOYSA-N 0 2 419.514 3.803 20 0 HHADLN Oc1c(Br)cccc1-c1nc(-c2ccccc2N2CCOCC2)no1 ZINC000545616867 1008714558 /nfs/dbraw/zinc/71/45/58/1008714558.db2.gz JRHSHIRYPJNNGJ-UHFFFAOYSA-N 0 2 402.248 3.708 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1nc2c(cc(F)c(F)c2F)s1 ZINC000543148658 1008722523 /nfs/dbraw/zinc/72/25/23/1008722523.db2.gz YYNRNPUEESHJSZ-UHFFFAOYSA-N 0 2 418.466 3.984 20 0 HHADLN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2sc(-c3ccccc3)nc2C)cc1 ZINC000543163868 1008738139 /nfs/dbraw/zinc/73/81/39/1008738139.db2.gz FIXCHXFGFXRYGB-UHFFFAOYSA-N 0 2 422.553 3.713 20 0 HHADLN COc1cccc([C@H](C)N2CCN(C(=O)c3cccc(Br)c3O)CC2)c1 ZINC000519332973 1008739623 /nfs/dbraw/zinc/73/96/23/1008739623.db2.gz QUYQDBGKUWCYMS-AWEZNQCLSA-N 0 2 419.319 3.682 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000543165673 1008741807 /nfs/dbraw/zinc/74/18/07/1008741807.db2.gz KROFTWSSAHVBGY-UHFFFAOYSA-N 0 2 414.535 3.619 20 0 HHADLN [O-]c1c(Br)cccc1-c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000545683068 1008775997 /nfs/dbraw/zinc/77/59/97/1008775997.db2.gz FHPDQDNTLAHUQV-MRXNPFEDSA-N 0 2 416.275 3.778 20 0 HHADLN [O-]c1c(Br)cccc1-c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000545683068 1008776007 /nfs/dbraw/zinc/77/60/07/1008776007.db2.gz FHPDQDNTLAHUQV-MRXNPFEDSA-N 0 2 416.275 3.778 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CC[C@@](F)(c4ccccc4F)C3)s[nH]2)c1 ZINC000549252718 1008823495 /nfs/dbraw/zinc/82/34/95/1008823495.db2.gz ZFGCVUWEJMFBPF-FQEVSTJZSA-N 0 2 416.453 3.877 20 0 HHADLN O=S(=O)(Nc1cc(Br)ccc1-n1cccn1)c1ccc(F)cc1F ZINC000519515375 1008889820 /nfs/dbraw/zinc/88/98/20/1008889820.db2.gz GALYDCRCFJCPSF-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCO[C@H](CCc3ccccc3)C2)=N1 ZINC000546043341 1009067120 /nfs/dbraw/zinc/06/71/20/1009067120.db2.gz ZMZWHGOKHQWJEB-HXUWFJFHSA-N 0 2 405.498 3.614 20 0 HHADLN O=C(c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)N(Cc1c(Cl)cccc1Cl)C1CC1 ZINC000549519646 1009129214 /nfs/dbraw/zinc/12/92/14/1009129214.db2.gz NKSBIKIKJSESOU-UHFFFAOYSA-N 0 2 405.241 3.548 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NC3(c4nc(C)cs4)CCCC3)s[nH]2)c1 ZINC000543614771 1009219546 /nfs/dbraw/zinc/21/95/46/1009219546.db2.gz KEMAYMBGAUDJAG-UHFFFAOYSA-N 0 2 415.544 3.992 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](c3ncc(C)s3)C3CC3)s[nH]2)c1 ZINC000543616937 1009222621 /nfs/dbraw/zinc/22/26/21/1009222621.db2.gz PTRSTQSNBGDXPA-CQSZACIVSA-N 0 2 401.517 3.673 20 0 HHADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ncc(-c3ccccc3F)s2)c1 ZINC000549608718 1009236480 /nfs/dbraw/zinc/23/64/80/1009236480.db2.gz UCVVAYNGEHALDB-UHFFFAOYSA-N 0 2 410.423 3.676 20 0 HHADLN C[C@@H](O)CN(Cc1ccccc1)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000543656734 1009262995 /nfs/dbraw/zinc/26/29/95/1009262995.db2.gz LPEOXEQDZLAFLA-CYBMUJFWSA-N 0 2 402.907 3.695 20 0 HHADLN C[C@@H](O)C[C@@H](CNC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccccc1 ZINC000543656337 1009263341 /nfs/dbraw/zinc/26/33/41/1009263341.db2.gz NFDAXNRSWOEXPN-CJNGLKHVSA-N 0 2 416.934 3.957 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCO[C@@H](c2ccsc2)C1 ZINC000543657278 1009263910 /nfs/dbraw/zinc/26/39/10/1009263910.db2.gz KMWGCXXCIIIHQU-CQSZACIVSA-N 0 2 406.920 3.947 20 0 HHADLN COCCOc1ccc(NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc1 ZINC000543657007 1009264398 /nfs/dbraw/zinc/26/43/98/1009264398.db2.gz OFDVQYCQVWRAIH-UHFFFAOYSA-N 0 2 404.879 3.950 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1cnn(-c2ccccc2)c1 ZINC000543657468 1009264768 /nfs/dbraw/zinc/26/47/68/1009264768.db2.gz PRVLNASRJGGZJY-UHFFFAOYSA-N 0 2 410.890 3.788 20 0 HHADLN CO[C@@H](C)c1nc(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cs1 ZINC000543658885 1009266355 /nfs/dbraw/zinc/26/63/55/1009266355.db2.gz WQSJKNNCUYJASF-VIFPVBQESA-N 0 2 409.924 3.766 20 0 HHADLN Cc1noc(C2(C)CCN(C(=O)N=c3nc(-c4cccc(Cl)c4)[nH]s3)CC2)n1 ZINC000543658258 1009266704 /nfs/dbraw/zinc/26/67/04/1009266704.db2.gz VIOPDFDNMUZTBZ-UHFFFAOYSA-N 0 2 418.910 3.557 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc3ncccc3c2)nc1C1CCCC1 ZINC000543682884 1009292516 /nfs/dbraw/zinc/29/25/16/1009292516.db2.gz RTURNXALVMBDEG-UHFFFAOYSA-N 0 2 417.512 3.936 20 0 HHADLN C[C@H]1CN(Cc2ccc(C(=O)N=c3nc(-c4ccsc4)[nH]s3)cc2)C[C@H](C)O1 ZINC000520221645 1009348835 /nfs/dbraw/zinc/34/88/35/1009348835.db2.gz MSKCHWNITIAQTR-KBPBESRZSA-N 0 2 414.556 3.550 20 0 HHADLN O=C(COc1ccc(F)cc1Br)N=c1nc(-c2ccsc2)[nH]s1 ZINC000520221786 1009349187 /nfs/dbraw/zinc/34/91/87/1009349187.db2.gz ZOMHJGIZGKDQGF-UHFFFAOYSA-N 0 2 414.281 3.608 20 0 HHADLN CC(C)[C@H]1C[C@@H](CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCO1 ZINC000543788127 1009357784 /nfs/dbraw/zinc/35/77/84/1009357784.db2.gz WOUFQPXGBPKEAV-WMLDXEAASA-N 0 2 423.560 3.724 20 0 HHADLN C[C@H]1Sc2ccc(C(=O)N=c3nc(-c4ccccc4Cl)[nH]s3)cc2NC1=O ZINC000520321498 1009450380 /nfs/dbraw/zinc/45/03/80/1009450380.db2.gz WHGCXMJOSIRSFD-SECBINFHSA-N 0 2 416.915 3.965 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1nc(C(C)C)n(-c2ccccc2F)n1 ZINC000520371424 1009508523 /nfs/dbraw/zinc/50/85/23/1009508523.db2.gz SLEVNPAKEOJWJA-UHFFFAOYSA-N 0 2 421.436 3.581 20 0 HHADLN CC(C)(C)n1cnc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 ZINC000544080796 1009687001 /nfs/dbraw/zinc/68/70/01/1009687001.db2.gz JGZMGEQMXNLFFN-UHFFFAOYSA-N 0 2 416.347 3.872 20 0 HHADLN CC(C)Cn1cc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)c(C(F)F)n1 ZINC000544098489 1009708046 /nfs/dbraw/zinc/70/80/46/1009708046.db2.gz NKQKDZXGPRGGLC-UHFFFAOYSA-N 0 2 409.405 3.921 20 0 HHADLN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000550123699 1009714402 /nfs/dbraw/zinc/71/44/02/1009714402.db2.gz VRWNPFGYPFJHLC-SNVBAGLBSA-N 0 2 422.411 3.604 20 0 HHADLN COc1ccc([C@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3O)CC(=O)N2C)cc1 ZINC000546860480 1009822938 /nfs/dbraw/zinc/82/29/38/1009822938.db2.gz VSEKQWYCWYKHOY-GUYCJALGSA-N 0 2 409.269 3.866 20 0 HHADLN COCCn1ccc(NS(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)n1 ZINC000520872388 1009926263 /nfs/dbraw/zinc/92/62/63/1009926263.db2.gz MOSJXTOFLAXPGK-UHFFFAOYSA-N 0 2 407.879 3.776 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1CC ZINC000550424319 1009926522 /nfs/dbraw/zinc/92/65/22/1009926522.db2.gz FFCLKEKNWCTPRJ-GJZGRUSLSA-N 0 2 423.604 3.678 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2cnn(C(C)C)c2)cc1 ZINC000550445666 1009946307 /nfs/dbraw/zinc/94/63/07/1009946307.db2.gz GLGXEHPWAPKUEB-UHFFFAOYSA-N 0 2 404.517 3.887 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1cn[nH]c1)c1cc(F)c(Br)cc1F ZINC000544353721 1009980459 /nfs/dbraw/zinc/98/04/59/1009980459.db2.gz OEWZDGFWCZTJHR-UHFFFAOYSA-N 0 2 414.231 3.918 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3ccccc3N3CCCCCC3)c(F)cc2N1 ZINC000521026613 1010060908 /nfs/dbraw/zinc/06/09/08/1010060908.db2.gz TUFPJNODPXMISJ-UHFFFAOYSA-N 0 2 417.506 3.892 20 0 HHADLN C[C@@H](CNC(=O)c1ccccc1)c1noc(-c2cccc(Br)c2O)n1 ZINC000547173615 1010118265 /nfs/dbraw/zinc/11/82/65/1010118265.db2.gz PVIRJYZTAJJXIX-NSHDSACASA-N 0 2 402.248 3.738 20 0 HHADLN CN(C(=O)C1=NN(c2ccc(F)cc2)CC1=O)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000544573712 1010202644 /nfs/dbraw/zinc/20/26/44/1010202644.db2.gz UENGERNYQPDFTL-UYAOXDASSA-N 0 2 413.424 3.848 20 0 HHADLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3ccccc3OCCOC)sc2C1 ZINC000547268933 1010215237 /nfs/dbraw/zinc/21/52/37/1010215237.db2.gz UJRKRUVJKDJYOA-AWEZNQCLSA-N 0 2 410.561 3.874 20 0 HHADLN CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000547329320 1010255691 /nfs/dbraw/zinc/25/56/91/1010255691.db2.gz PLJPIABCHOUJGH-PBHICJAKSA-N 0 2 423.560 3.868 20 0 HHADLN C[C@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccc([S@@](C)=O)cc1 ZINC000544634954 1010258389 /nfs/dbraw/zinc/25/83/89/1010258389.db2.gz CWXWPLYCZDJXIX-YBOJIHHZSA-N 0 2 420.947 3.901 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1ccccc1Cn1cccn1 ZINC000544635537 1010259043 /nfs/dbraw/zinc/25/90/43/1010259043.db2.gz PMZPUBGVSWFHPO-UHFFFAOYSA-N 0 2 424.917 3.847 20 0 HHADLN COc1ccccc1CCN(C)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000544636658 1010260078 /nfs/dbraw/zinc/26/00/78/1010260078.db2.gz UZJOPKWZXLJUBR-UHFFFAOYSA-N 0 2 402.907 3.995 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000544637008 1010261239 /nfs/dbraw/zinc/26/12/39/1010261239.db2.gz HVAPFLZOKSZXAU-MRXNPFEDSA-N 0 2 416.890 3.591 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCO[C@H](c2cccs2)C1 ZINC000544638727 1010263159 /nfs/dbraw/zinc/26/31/59/1010263159.db2.gz LLULUTQSKUEVII-ZDUSSCGKSA-N 0 2 406.920 3.947 20 0 HHADLN CC[C@@H](C)Sc1ccc(NS(=O)(=O)[C@H](C)C(=O)N(C)C)c(C(F)(F)F)c1 ZINC000551021133 1010322126 /nfs/dbraw/zinc/32/21/26/1010322126.db2.gz XMKWERIFYSJMAU-GHMZBOCLSA-N 0 2 412.499 3.814 20 0 HHADLN COc1ccc(C[C@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)c2ccccc2)cc1OC ZINC000544720330 1010328837 /nfs/dbraw/zinc/32/88/37/1010328837.db2.gz MFWLOSOHQNKJJX-BBRMVZONSA-N 0 2 417.449 3.858 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccco2)s1)c1cc(F)c(Br)cc1F ZINC000544742702 1010347900 /nfs/dbraw/zinc/34/79/00/1010347900.db2.gz OCBIDXNFMKYRCV-UHFFFAOYSA-N 0 2 422.232 3.640 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccn2)c1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000547629757 1010371281 /nfs/dbraw/zinc/37/12/81/1010371281.db2.gz VRYQDDQTVBYAGO-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN Cc1ccc(C(=O)Nc2ccccc2)cc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000551106564 1010371713 /nfs/dbraw/zinc/37/17/13/1010371713.db2.gz ALBZEHDJUSALBM-UHFFFAOYSA-N 0 2 420.441 3.510 20 0 HHADLN COc1ccccc1[C@@H](NC(=O)C1=NN(c2ccccc2)CC1=O)c1ccccn1 ZINC000551107101 1010372573 /nfs/dbraw/zinc/37/25/73/1010372573.db2.gz YPHZIKZUAHXWNM-OAQYLSRUSA-N 0 2 400.438 3.501 20 0 HHADLN Cc1cccc(COc2cccc(NS(=O)(=O)c3cnn(CC(F)F)c3)c2)c1 ZINC000551113537 1010377377 /nfs/dbraw/zinc/37/73/77/1010377377.db2.gz ZXLKBZSNIRXFMA-UHFFFAOYSA-N 0 2 407.442 3.836 20 0 HHADLN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000551116951 1010380657 /nfs/dbraw/zinc/38/06/57/1010380657.db2.gz PIJGDQXEJTZWMT-UHFFFAOYSA-N 0 2 417.314 3.813 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cc(F)c(C)cc2F)cnn1-c1cc(C)ccn1 ZINC000544844143 1010430032 /nfs/dbraw/zinc/43/00/32/1010430032.db2.gz PWOFRJAVOYMUGZ-UHFFFAOYSA-N 0 2 406.458 3.916 20 0 HHADLN O=C1Cc2cc(S(=O)(=O)Nc3ccc(Cl)c4cccnc34)c(Cl)cc2N1 ZINC000551341175 1010527098 /nfs/dbraw/zinc/52/70/98/1010527098.db2.gz LLTDZYAWVJOKMR-UHFFFAOYSA-N 0 2 408.266 3.837 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1 ZINC000544998892 1010545035 /nfs/dbraw/zinc/54/50/35/1010545035.db2.gz LTUHCRAVDDESET-UHFFFAOYSA-N 0 2 424.467 3.537 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)o2)c2ccccc2n1C ZINC000551388575 1010555218 /nfs/dbraw/zinc/55/52/18/1010555218.db2.gz PUISXUUBGKVRIA-UHFFFAOYSA-N 0 2 416.890 3.915 20 0 HHADLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1cccc(Br)c1 ZINC000551468175 1010604582 /nfs/dbraw/zinc/60/45/82/1010604582.db2.gz WRPBUTIAHISOIG-UHFFFAOYSA-N 0 2 404.669 3.690 20 0 HHADLN O=S(=O)(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccc(Cl)cc1F ZINC000521799756 1010627764 /nfs/dbraw/zinc/62/77/64/1010627764.db2.gz BDMGSSJYTGIZDV-UHFFFAOYSA-N 0 2 406.870 3.875 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1cncc(Cl)c1 ZINC000545121366 1010628043 /nfs/dbraw/zinc/62/80/43/1010628043.db2.gz KPRBLIWQNPJJNV-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN CN1C(=O)c2ccc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)cc2C1=O ZINC000551511659 1010629979 /nfs/dbraw/zinc/62/99/79/1010629979.db2.gz YVFDVWWOZXGRJM-UHFFFAOYSA-N 0 2 419.673 3.673 20 0 HHADLN CC[C@@](C)(NS(=O)(=O)c1cc(F)c(Br)cc1OC)C(F)(F)F ZINC000548474146 1010637911 /nfs/dbraw/zinc/63/79/11/1010637911.db2.gz CGXFUEMFENOMRU-LLVKDONJSA-N 0 2 408.211 3.606 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1ccccc1I ZINC000521835261 1010647780 /nfs/dbraw/zinc/64/77/80/1010647780.db2.gz HDUWFMBPDSXUNX-UHFFFAOYSA-N 0 2 413.265 3.545 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cc(Cl)ccc2N(C)C)cc1Cl ZINC000521897064 1010694304 /nfs/dbraw/zinc/69/43/04/1010694304.db2.gz HYOKQWUZJFBPTO-UHFFFAOYSA-N 0 2 420.293 3.958 20 0 HHADLN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2C(F)(F)F)cc1 ZINC000521938219 1010725259 /nfs/dbraw/zinc/72/52/59/1010725259.db2.gz UBNTYNWORJEPBW-UHFFFAOYSA-N 0 2 401.410 3.886 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)c2ncccc12 ZINC000545313970 1010727174 /nfs/dbraw/zinc/72/71/74/1010727174.db2.gz JSTNPRCIWPVCHP-UHFFFAOYSA-N 0 2 411.252 3.946 20 0 HHADLN COc1ccc(CNC(=O)N=c2nc(C(C)(C)C)[nH]s2)cc1OC1CCCC1 ZINC000522620464 1011118255 /nfs/dbraw/zinc/11/82/55/1011118255.db2.gz GUYSKMLXZRERDJ-UHFFFAOYSA-N 0 2 404.536 3.909 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN(C)C(=O)c4ccccc4)nc(=O)c3s2)cc1 ZINC000522710305 1011172022 /nfs/dbraw/zinc/17/20/22/1011172022.db2.gz RMRPJSCUDKGQSV-UHFFFAOYSA-N 0 2 405.479 3.932 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1CSc2ccccc21 ZINC000522769446 1011205426 /nfs/dbraw/zinc/20/54/26/1011205426.db2.gz JIMBLSUUPSCYGW-OAHLLOKOSA-N 0 2 417.537 3.772 20 0 HHADLN COCCOc1ccc(S(=O)(=O)Nc2cc(C)n(-c3cccc(Cl)c3)n2)cc1 ZINC000540695991 1011348239 /nfs/dbraw/zinc/34/82/39/1011348239.db2.gz HOJBDDHZWNPUBQ-UHFFFAOYSA-N 0 2 421.906 3.660 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCC(F)(F)CC1 ZINC000536216276 1011364581 /nfs/dbraw/zinc/36/45/81/1011364581.db2.gz WTIINNOIUDBEIX-UHFFFAOYSA-N 0 2 401.460 3.708 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000536264279 1011432256 /nfs/dbraw/zinc/43/22/56/1011432256.db2.gz OMBAKHQPFKYWRP-INIZCTEOSA-N 0 2 401.513 3.564 20 0 HHADLN CC(C)c1cc(Br)ccc1NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 ZINC000536302456 1011492022 /nfs/dbraw/zinc/49/20/22/1011492022.db2.gz OXXYXQMSGXHMQQ-CYBMUJFWSA-N 0 2 414.325 3.531 20 0 HHADLN COCCOc1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)cc1C ZINC000536303417 1011494378 /nfs/dbraw/zinc/49/43/78/1011494378.db2.gz NRBXIRMUQAKUQO-UHFFFAOYSA-N 0 2 417.478 3.611 20 0 HHADLN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)s1 ZINC000536698185 1011866321 /nfs/dbraw/zinc/86/63/21/1011866321.db2.gz DRTVWUIDFDUZRC-UHFFFAOYSA-N 0 2 417.556 3.802 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Cl)cc3)nc2)cn1 ZINC000536700657 1011870777 /nfs/dbraw/zinc/87/07/77/1011870777.db2.gz XCBODUBPSOCLSR-UHFFFAOYSA-N 0 2 419.846 3.510 20 0 HHADLN CSc1c(F)cc(NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1F ZINC000541306497 1012012190 /nfs/dbraw/zinc/01/21/90/1012012190.db2.gz NKKPRWYXUGNUMJ-UHFFFAOYSA-N 0 2 406.819 3.575 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000551948158 1012030116 /nfs/dbraw/zinc/03/01/16/1012030116.db2.gz RFXLWIXIFRLFHJ-UHFFFAOYSA-N 0 2 402.414 3.665 20 0 HHADLN Cc1ccc(Br)c(C)c1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000551963726 1012034007 /nfs/dbraw/zinc/03/40/07/1012034007.db2.gz YKBXWUAUJCVZOK-UHFFFAOYSA-N 0 2 415.291 3.693 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1cc(C(C)C)nn1CC ZINC000552002755 1012043920 /nfs/dbraw/zinc/04/39/20/1012043920.db2.gz JJZJGLYSRHOROQ-LJQANCHMSA-N 0 2 423.561 3.879 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000523727213 1012341962 /nfs/dbraw/zinc/34/19/62/1012341962.db2.gz IINYPFWJJFXJNS-KRWDZBQOSA-N 0 2 403.508 3.609 20 0 HHADLN CCC[C@H](C)N1Cc2cccc(NS(=O)(=O)c3ccc(C(=O)OC)cc3)c2C1 ZINC000541588944 1012380559 /nfs/dbraw/zinc/38/05/59/1012380559.db2.gz PKZBZHSBXHTZEQ-HNNXBMFYSA-N 0 2 402.516 3.778 20 0 HHADLN CCC[C@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)OC)cc3)c2C1 ZINC000541588944 1012380566 /nfs/dbraw/zinc/38/05/66/1012380566.db2.gz PKZBZHSBXHTZEQ-HNNXBMFYSA-N 0 2 402.516 3.778 20 0 HHADLN CCC[C@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)OC)cc3)c2C1 ZINC000541588944 1012380575 /nfs/dbraw/zinc/38/05/75/1012380575.db2.gz PKZBZHSBXHTZEQ-HNNXBMFYSA-N 0 2 402.516 3.778 20 0 HHADLN COc1cc(NS(=O)(=O)c2cccc3cccnc32)cc(OC)c1Br ZINC000537195633 1012612032 /nfs/dbraw/zinc/61/20/32/1012612032.db2.gz MRSSDRTWPCZCMS-UHFFFAOYSA-N 0 2 423.288 3.815 20 0 HHADLN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)c1 ZINC000552616084 1012619860 /nfs/dbraw/zinc/61/98/60/1012619860.db2.gz LEHFASFOIBEZCJ-UHFFFAOYSA-N 0 2 417.314 3.980 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)[C@H](c1ccccc1)N1CCc2ccccc21 ZINC000552626301 1012628604 /nfs/dbraw/zinc/62/86/04/1012628604.db2.gz QDBYRQDJBFDCEA-NRFANRHFSA-N 0 2 411.465 3.920 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000541800439 1012678254 /nfs/dbraw/zinc/67/82/54/1012678254.db2.gz LHZWQGLZMVCKOK-CQSZACIVSA-N 0 2 413.934 3.928 20 0 HHADLN COc1ccc(CN(C)C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc1O ZINC000541801031 1012679734 /nfs/dbraw/zinc/67/97/34/1012679734.db2.gz YLHSRVSBEVGFDC-UHFFFAOYSA-N 0 2 404.879 3.659 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cccc3cccnc32)nc1C1CCCC1 ZINC000541826338 1012713654 /nfs/dbraw/zinc/71/36/54/1012713654.db2.gz PRXNOVGYBQSUMB-UHFFFAOYSA-N 0 2 417.512 3.936 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2[nH]nc(C)c2-c2ccc3c(c2)OCO3)c(C)c1C ZINC000541832084 1012719035 /nfs/dbraw/zinc/71/90/35/1012719035.db2.gz DVDOMZKOARXRAH-UHFFFAOYSA-N 0 2 415.471 3.540 20 0 HHADLN O=C(N[C@H](c1cncc(Br)c1)C1CC1)C1=NN(c2ccccc2)CC1=O ZINC000552763285 1012770743 /nfs/dbraw/zinc/77/07/43/1012770743.db2.gz ZRIDFIPFGFAYLX-KRWDZBQOSA-N 0 2 413.275 3.617 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N[C@H]2C[C@H]3CCC(C)(C)c4cccc2c43)s[nH]1 ZINC000537380635 1012857019 /nfs/dbraw/zinc/85/70/19/1012857019.db2.gz YRWNGYQEAFGCNB-DOMZBBRYSA-N 0 2 412.559 3.612 20 0 HHADLN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000524095277 1012867486 /nfs/dbraw/zinc/86/74/86/1012867486.db2.gz GXRMXSSOSHBCAB-SECBINFHSA-N 0 2 415.346 3.722 20 0 HHADLN CC(C)c1noc(-c2ccccc2C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)n1 ZINC000524100648 1012875594 /nfs/dbraw/zinc/87/55/94/1012875594.db2.gz ZAJQHIGVERYNTG-UHFFFAOYSA-N 0 2 409.471 3.843 20 0 HHADLN CCc1nc2cc(S(=O)(=O)Nc3cc(-c4cccc(OC)c4)nn3C)ccc2o1 ZINC000541999027 1012878327 /nfs/dbraw/zinc/87/83/27/1012878327.db2.gz RKYPSGGRSDQYHK-UHFFFAOYSA-N 0 2 412.471 3.600 20 0 HHADLN CC(C)(C)n1cc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)cn1 ZINC000524106151 1012880644 /nfs/dbraw/zinc/88/06/44/1012880644.db2.gz ZNQGTOZUQMOKLW-UHFFFAOYSA-N 0 2 423.432 3.856 20 0 HHADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)c1 ZINC000542000704 1012880690 /nfs/dbraw/zinc/88/06/90/1012880690.db2.gz ZPOPSCLROULKPL-UHFFFAOYSA-N 0 2 421.475 3.548 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)c(OC[C@H]2CCCO2)c1 ZINC000542008812 1012893043 /nfs/dbraw/zinc/89/30/43/1012893043.db2.gz SJTKPKVYONCXSL-CYBMUJFWSA-N 0 2 416.421 3.767 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(CN3CCC(C)CC3)cs2)c(C)c1F ZINC000542101975 1013034787 /nfs/dbraw/zinc/03/47/87/1013034787.db2.gz CDNKCNNYOZMLFV-UHFFFAOYSA-N 0 2 413.540 3.632 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1cnn(CC(C)C)c1C ZINC000568705291 1071825530 /nfs/dbraw/zinc/82/55/30/1071825530.db2.gz WSOOUCSODKXOKF-HXUWFJFHSA-N 0 2 423.561 3.700 20 0 HHADLN Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000488206459 1072125187 /nfs/dbraw/zinc/12/51/87/1072125187.db2.gz UVVZYKBGUNWBDH-MRVPVSSYSA-N 0 2 421.274 3.846 20 0 HHADLN CCc1ccccc1S(=O)(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000488229488 1072149702 /nfs/dbraw/zinc/14/97/02/1072149702.db2.gz HBFCGCIJMXZSMM-UHFFFAOYSA-N 0 2 416.524 3.851 20 0 HHADLN O=S(=O)(Nc1cc(F)cc(F)c1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000488235093 1072151088 /nfs/dbraw/zinc/15/10/88/1072151088.db2.gz UOHBMTBIBOIUFL-LLVKDONJSA-N 0 2 403.834 3.834 20 0 HHADLN COCCn1nc(C)c(NS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c1C ZINC000488236792 1072152893 /nfs/dbraw/zinc/15/28/93/1072152893.db2.gz YAWKNQNBHUSKRE-UHFFFAOYSA-N 0 2 411.833 3.619 20 0 HHADLN COCc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000488249393 1072164847 /nfs/dbraw/zinc/16/48/47/1072164847.db2.gz MCYAJWYPLADWFP-AWEZNQCLSA-N 0 2 411.907 3.703 20 0 HHADLN Cc1ccc(Cc2nnc(NS(=O)(=O)c3c(Cl)nc4ccccn43)s2)cc1 ZINC000760320648 1072245547 /nfs/dbraw/zinc/24/55/47/1072245547.db2.gz LAFSMLBBMMDNKR-UHFFFAOYSA-N 0 2 419.919 3.539 20 0 HHADLN Cc1ccc(Cc2nnc(NS(=O)(=O)c3cnc(Cl)c(Cl)c3)s2)cc1 ZINC000760320916 1072245578 /nfs/dbraw/zinc/24/55/78/1072245578.db2.gz NFOIYZXUIXIDKK-UHFFFAOYSA-N 0 2 415.327 3.940 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2ccnn2C2CCCC2)c1 ZINC000760510985 1072455959 /nfs/dbraw/zinc/45/59/59/1072455959.db2.gz DHLCBPNZCNNCIU-UHFFFAOYSA-N 0 2 400.298 3.570 20 0 HHADLN C[C@]1(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)OCCc2sccc21 ZINC000571219331 1072584872 /nfs/dbraw/zinc/58/48/72/1072584872.db2.gz CVCOSZQLTUOUKQ-GOSISDBHSA-N 0 2 420.947 3.952 20 0 HHADLN COCCOc1c(Cl)cc(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)cc1Cl ZINC000571478200 1072633453 /nfs/dbraw/zinc/63/34/53/1072633453.db2.gz FBYAJYSSVTVANN-UHFFFAOYSA-N 0 2 408.307 3.666 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)c1C ZINC000479115352 1072732037 /nfs/dbraw/zinc/73/20/37/1072732037.db2.gz KWNWMWMCXGWYGP-UHFFFAOYSA-N 0 2 413.908 3.872 20 0 HHADLN O=S(=O)(Nc1nc2c(cccc2Cl)s1)c1cnn(Cc2ccccc2)c1 ZINC000479127745 1072738205 /nfs/dbraw/zinc/73/82/05/1072738205.db2.gz FICGEIZUNYQXKN-UHFFFAOYSA-N 0 2 404.904 3.995 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CCC3)cc1F ZINC000479118188 1072754373 /nfs/dbraw/zinc/75/43/73/1072754373.db2.gz DSNLPCWWVKHPLA-UHFFFAOYSA-N 0 2 421.881 3.963 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c(N(C)C)c1 ZINC000479123610 1072761920 /nfs/dbraw/zinc/76/19/20/1072761920.db2.gz LVFXIPCNMKDYTO-UHFFFAOYSA-N 0 2 409.316 3.708 20 0 HHADLN CCC[C@@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)OC)c2C1 ZINC000479142634 1072764919 /nfs/dbraw/zinc/76/49/19/1072764919.db2.gz RDKFPRLKADEIDJ-CYBMUJFWSA-N 0 2 420.531 3.988 20 0 HHADLN CCC[C@@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)OC)c2C1 ZINC000479142634 1072764928 /nfs/dbraw/zinc/76/49/28/1072764928.db2.gz RDKFPRLKADEIDJ-CYBMUJFWSA-N 0 2 420.531 3.988 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2ccccc2OCC2CC2)cc1F)N1CCCC1 ZINC000479409761 1072830806 /nfs/dbraw/zinc/83/08/06/1072830806.db2.gz QDVCDAPGGFZJMH-UHFFFAOYSA-N 0 2 418.490 3.651 20 0 HHADLN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(-c2ncon2)cc1 ZINC000588834842 1073296960 /nfs/dbraw/zinc/29/69/60/1073296960.db2.gz XKCKLUIBGIRZPK-UHFFFAOYSA-N 0 2 424.276 3.699 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)cnn1C1CCCC1 ZINC000588850055 1073306074 /nfs/dbraw/zinc/30/60/74/1073306074.db2.gz WJOASAQJSUYMOU-UHFFFAOYSA-N 0 2 405.520 3.981 20 0 HHADLN CCc1oc(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)n[nH]2)cc1C(=O)OC ZINC000555276046 1073314073 /nfs/dbraw/zinc/31/40/73/1073314073.db2.gz ABAIHEUZNVWGDU-UHFFFAOYSA-N 0 2 408.336 3.685 20 0 HHADLN CCOC(=O)C(C)(C)c1csc(NS(=O)(=O)c2ccc(Cl)cc2C)n1 ZINC000588948936 1073355581 /nfs/dbraw/zinc/35/55/81/1073355581.db2.gz KLRVPOHOSMBBKJ-UHFFFAOYSA-N 0 2 402.925 3.746 20 0 HHADLN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001127128560 1073488302 /nfs/dbraw/zinc/48/83/02/1073488302.db2.gz ZDGLVNJUTKLNGC-ZDUSSCGKSA-N 0 2 412.408 3.874 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)CCNc3cc(Cl)ccc3OC)s[nH]2)c1 ZINC000600340077 1073772317 /nfs/dbraw/zinc/77/23/17/1073772317.db2.gz CRXJUICCQOBXSV-UHFFFAOYSA-N 0 2 418.906 3.738 20 0 HHADLN COc1ccc(-c2noc(CCCC(=O)Nc3nc(-c4ccccc4F)n[nH]3)n2)cc1 ZINC000590406058 1073789206 /nfs/dbraw/zinc/78/92/06/1073789206.db2.gz ZEWAYSYXRPWUGP-UHFFFAOYSA-N 0 2 422.420 3.631 20 0 HHADLN C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000590405245 1073789767 /nfs/dbraw/zinc/78/97/67/1073789767.db2.gz VSWHIQDBURHNJN-JTQLQIEISA-N 0 2 405.227 3.779 20 0 HHADLN COCCn1ncc2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)cc21 ZINC000590695228 1073981163 /nfs/dbraw/zinc/98/11/63/1073981163.db2.gz QLVSMMPPXLLREV-UHFFFAOYSA-N 0 2 417.384 3.641 20 0 HHADLN O=C([O-])c1ccc(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000590893662 1074029868 /nfs/dbraw/zinc/02/98/68/1074029868.db2.gz BWBCHDQSCBFMBW-UHFFFAOYSA-N 0 2 412.449 3.622 20 0 HHADLN CC(C)C(=O)Nc1cc(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)ccn1 ZINC000556028109 1074052590 /nfs/dbraw/zinc/05/25/90/1074052590.db2.gz DCUKUUJPRCZDDN-UHFFFAOYSA-N 0 2 401.879 3.522 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1sc2nccn2c1C ZINC000567962349 1074084615 /nfs/dbraw/zinc/08/46/15/1074084615.db2.gz DXNFWKBCMPDPAU-KRWDZBQOSA-N 0 2 423.542 3.557 20 0 HHADLN O=C1CCCc2cc(S(=O)(=O)Nc3cccnc3OCc3ccccc3)ccc2N1 ZINC000591682596 1074486170 /nfs/dbraw/zinc/48/61/70/1074486170.db2.gz GKHMHESPMQMCTJ-UHFFFAOYSA-N 0 2 423.494 3.736 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2OCc2ccccc2)cc1 ZINC000591683492 1074487826 /nfs/dbraw/zinc/48/78/26/1074487826.db2.gz VQHDPYQWALRHTL-UHFFFAOYSA-N 0 2 411.483 3.810 20 0 HHADLN O=S(=O)(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cc(F)c(F)cc1F ZINC000591796578 1074546724 /nfs/dbraw/zinc/54/67/24/1074546724.db2.gz JGMCLMMQRAFCLU-UHFFFAOYSA-N 0 2 423.294 3.974 20 0 HHADLN O=C(Nc1cccc(CN2CCCCC2=O)c1)c1cccc(Br)c1O ZINC000592859448 1075127497 /nfs/dbraw/zinc/12/74/97/1075127497.db2.gz MOVVZPOAJMTYNC-UHFFFAOYSA-N 0 2 403.276 3.920 20 0 HHADLN COC(=O)c1c(C)c(NS(=O)(=O)c2cccc(Br)c2F)ccc1F ZINC000574247247 1075194816 /nfs/dbraw/zinc/19/48/16/1075194816.db2.gz LOGHIQYSKCCACC-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN O=C(Nc1ccc(Cl)cn1)c1cccc(NS(=O)(=O)c2ccccc2F)c1 ZINC000596931316 1075605162 /nfs/dbraw/zinc/60/51/62/1075605162.db2.gz GCNYYQAOMDIVEH-UHFFFAOYSA-N 0 2 405.838 3.927 20 0 HHADLN O=C([O-])[C@H](NC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000780571337 939134716 /nfs/dbraw/zinc/13/47/16/939134716.db2.gz NLGYTIDPBXBEKD-PKOBYXMFSA-N 0 2 419.884 3.569 20 0 HHADLN O=C([O-])[C@H](NC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000780571337 939134718 /nfs/dbraw/zinc/13/47/18/939134718.db2.gz NLGYTIDPBXBEKD-PKOBYXMFSA-N 0 2 419.884 3.569 20 0 HHADLN Cc1ccc(NC(=O)c2ccc(NCc3nnc(COc4ccccc4)[nH]3)nc2)cc1 ZINC000302252002 971218227 /nfs/dbraw/zinc/21/82/27/971218227.db2.gz NHCLEYADBPEWDR-UHFFFAOYSA-N 0 2 414.469 3.952 20 0 HHADLN O=S(=O)(Nc1cncc(F)c1)c1ccc(Br)cc1Br ZINC000302503215 971246819 /nfs/dbraw/zinc/24/68/19/971246819.db2.gz UJZLZKGIXFVBBE-UHFFFAOYSA-N 0 2 410.062 3.547 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N[C@H](c3ccc(OC)cc3)C(C)C)cc2[nH]c1=S ZINC000302853357 971354973 /nfs/dbraw/zinc/35/49/73/971354973.db2.gz BAYHVDLPZQCWII-IBGZPJMESA-N 0 2 411.527 3.841 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)cc2[nH]c1=S ZINC000302899616 971380990 /nfs/dbraw/zinc/38/09/90/971380990.db2.gz PRNHQUVMHJAUIE-UHFFFAOYSA-N 0 2 419.510 3.760 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2c(Cl)nc3ccccn32)cc1OCC(F)F ZINC000303155518 971532415 /nfs/dbraw/zinc/53/24/15/971532415.db2.gz OKKKRFASARMQNJ-UHFFFAOYSA-N 0 2 401.822 3.741 20 0 HHADLN O=C1CCCN1c1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)cc1 ZINC000524298208 1013108921 /nfs/dbraw/zinc/10/89/21/1013108921.db2.gz XEFQUGWOJQBREA-UHFFFAOYSA-N 0 2 407.904 3.877 20 0 HHADLN NC(=O)c1cccc(S(=O)(=O)Nc2cc(-c3cccs3)nn2-c2ccccc2)c1 ZINC000524298242 1013109441 /nfs/dbraw/zinc/10/94/41/1013109441.db2.gz ZSRTUGUCCXKCHY-UHFFFAOYSA-N 0 2 424.507 3.501 20 0 HHADLN CC(=O)c1cccc(S(=O)(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)c1 ZINC000303590669 971883412 /nfs/dbraw/zinc/88/34/12/971883412.db2.gz MHCNLBBZFZPFKJ-UHFFFAOYSA-N 0 2 409.389 3.895 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccnn1Cc1cccc(C)c1 ZINC000542218145 1013167498 /nfs/dbraw/zinc/16/74/98/1013167498.db2.gz RDWHCSFQJQCAQK-UHFFFAOYSA-N 0 2 401.536 3.510 20 0 HHADLN O=S(=O)(Nc1ccn(-c2ccccc2Cl)n1)c1ccc(OCC(F)F)cc1 ZINC000542233645 1013188556 /nfs/dbraw/zinc/18/85/56/1013188556.db2.gz ROTGFGRYYHKLHL-UHFFFAOYSA-N 0 2 413.833 3.970 20 0 HHADLN Cc1nn(-c2ccccc2Cl)c2sc(C(=O)NNC(=O)c3ccccn3)cc12 ZINC000007038639 960989315 /nfs/dbraw/zinc/98/93/15/960989315.db2.gz DKFMCHRVRYFNPW-UHFFFAOYSA-N 0 2 411.874 3.519 20 0 HHADLN CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cc(F)ccc3F)n2)cc1 ZINC000008106416 961432180 /nfs/dbraw/zinc/43/21/80/961432180.db2.gz REEZLGAGLUVLFQ-UHFFFAOYSA-N 0 2 409.439 3.848 20 0 HHADLN Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O)nc1 ZINC000010429972 961819972 /nfs/dbraw/zinc/81/99/72/961819972.db2.gz RSPUSWQIKIFAMB-UHFFFAOYSA-N 0 2 417.874 3.802 20 0 HHADLN O=C([O-])/C=C/c1ccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 ZINC000013192119 962374931 /nfs/dbraw/zinc/37/49/31/962374931.db2.gz NGHXJVZCORGGHR-FNORWQNLSA-N 0 2 401.850 3.668 20 0 HHADLN O=C1C(=Cc2ccc(O)c([N+](=O)[O-])c2)NC(=S)N1c1ccccc1C(F)(F)F ZINC000015253500 962698747 /nfs/dbraw/zinc/69/87/47/962698747.db2.gz COXCCAPUQGTERM-XFFZJAGNSA-N 0 2 409.345 3.581 20 0 HHADLN NC(=O)CSc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000017320155 963187001 /nfs/dbraw/zinc/18/70/01/963187001.db2.gz GBVHFWOBTUOTEF-UHFFFAOYSA-N 0 2 424.853 3.737 20 0 HHADLN Cc1csc(C(C#N)C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)n1 ZINC000020056157 963381676 /nfs/dbraw/zinc/38/16/76/963381676.db2.gz MKSYDCLEDIUBEB-INIZCTEOSA-N 0 2 409.540 3.937 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccc(OC)cc3)cc2[nH]c1=S ZINC000021623161 963507706 /nfs/dbraw/zinc/50/77/06/963507706.db2.gz DBNOLWCMUWSDMT-HXUWFJFHSA-N 0 2 421.522 3.857 20 0 HHADLN O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)NOCc1ccccc1 ZINC000025038979 964150533 /nfs/dbraw/zinc/15/05/33/964150533.db2.gz HSCRTSHKVVDIIW-UHFFFAOYSA-N 0 2 417.494 3.669 20 0 HHADLN N#C[C@H](C(=O)CCSc1ccccc1F)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049394692 964165824 /nfs/dbraw/zinc/16/58/24/964165824.db2.gz NMLWCEJUGIRKJV-CQSZACIVSA-N 0 2 408.462 3.695 20 0 HHADLN N#CC(C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049395637 964167054 /nfs/dbraw/zinc/16/70/54/964167054.db2.gz ZQHHUGDMKGWVCM-SGMGOOAPSA-N 0 2 404.396 3.742 20 0 HHADLN N#C[C@H](C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049395637 964167059 /nfs/dbraw/zinc/16/70/59/964167059.db2.gz ZQHHUGDMKGWVCM-SGMGOOAPSA-N 0 2 404.396 3.742 20 0 HHADLN Cc1csc(C(C#N)C(=O)CSc2n[nH]c(COc3ccc(Cl)cc3)n2)n1 ZINC000026047491 964430011 /nfs/dbraw/zinc/43/00/11/964430011.db2.gz JBKZXBPHWFABSH-ZDUSSCGKSA-N 0 2 419.919 3.771 20 0 HHADLN O=C(/C=C/c1ccc2ccccc2n1)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000026632299 964628798 /nfs/dbraw/zinc/62/87/98/964628798.db2.gz XRSBZFJRRMSFCQ-NTCAYCPXSA-N 0 2 413.433 3.881 20 0 HHADLN C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000553645726 1013517853 /nfs/dbraw/zinc/51/78/53/1013517853.db2.gz CMRKYRROBIXPOO-CQSZACIVSA-N 0 2 414.868 3.721 20 0 HHADLN O=C(Nn1cnc2sc3c(c2c1=O)CCCC3)c1csc(-c2ccccc2)n1 ZINC000052893907 965014286 /nfs/dbraw/zinc/01/42/86/965014286.db2.gz DBBMTFPMLDDZMY-UHFFFAOYSA-N 0 2 408.508 3.844 20 0 HHADLN COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc(C)cc1Br ZINC000028198278 965056365 /nfs/dbraw/zinc/05/63/65/965056365.db2.gz DRTKNRMAAUUFSA-UHFFFAOYSA-N 0 2 413.293 3.525 20 0 HHADLN C[C@H]1C[C@H]1c1ccc(CCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)o1 ZINC000053367719 965145801 /nfs/dbraw/zinc/14/58/01/965145801.db2.gz HIJWVQASEKLNKT-HNAYVOBHSA-N 0 2 408.454 3.969 20 0 HHADLN Cc1noc2nc(C)cc(C(=O)Nc3nc(-c4ccccc4Br)n[nH]3)c12 ZINC000028906360 965212668 /nfs/dbraw/zinc/21/26/68/965212668.db2.gz IXTHEFBFVFOZBY-UHFFFAOYSA-N 0 2 413.235 3.640 20 0 HHADLN CN(CC1CC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1Cl)c2=O ZINC000057365413 965416627 /nfs/dbraw/zinc/41/66/27/965416627.db2.gz YHZFTMSEXQJKTK-UHFFFAOYSA-N 0 2 413.930 3.869 20 0 HHADLN C[C@@H](CCc1ccccc1)NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000029657499 965448971 /nfs/dbraw/zinc/44/89/71/965448971.db2.gz XSWLEZSHELUMIY-KRWDZBQOSA-N 0 2 407.470 3.824 20 0 HHADLN CNC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc1 ZINC000057680479 965520637 /nfs/dbraw/zinc/52/06/37/965520637.db2.gz OOFHPTJDFCCRQF-UHFFFAOYSA-N 0 2 413.480 3.717 20 0 HHADLN COc1ccc(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1OC ZINC000057719652 965530104 /nfs/dbraw/zinc/53/01/04/965530104.db2.gz KPRQBVBSIAMBDC-UHFFFAOYSA-N 0 2 421.456 3.536 20 0 HHADLN COc1ccc(-c2nc(NS(=O)(=O)c3cccc(C(C)=O)c3)sc2C)cc1 ZINC000057721009 965531323 /nfs/dbraw/zinc/53/13/23/965531323.db2.gz HKYBLYAJVHUZGC-UHFFFAOYSA-N 0 2 402.497 3.552 20 0 HHADLN Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000030032011 965605292 /nfs/dbraw/zinc/60/52/92/965605292.db2.gz QDOODHNHNTVZGY-UHFFFAOYSA-N 0 2 414.874 3.874 20 0 HHADLN COc1ccc(-c2nc(SCC(=O)N3[C@H](C)CCC[C@@H]3C)[nH]c(=O)c2C#N)cc1 ZINC000054749259 965630630 /nfs/dbraw/zinc/63/06/30/965630630.db2.gz ODPADNKQQZKBFM-OKILXGFUSA-N 0 2 412.515 3.611 20 0 HHADLN COc1ccccc1-c1nc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cs1 ZINC000058616571 965809352 /nfs/dbraw/zinc/80/93/52/965809352.db2.gz IYIMRLYYZRNCNQ-UHFFFAOYSA-N 0 2 411.527 3.796 20 0 HHADLN C[C@H]1CCCC[C@H]1OCCOC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1C#N ZINC000058654161 965828780 /nfs/dbraw/zinc/82/87/80/965828780.db2.gz YQXMHCJODVVUSJ-SMDDNHRTSA-N 0 2 418.437 3.908 20 0 HHADLN CCN(Cc1c(F)cccc1F)C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000542690808 1013609591 /nfs/dbraw/zinc/60/95/91/1013609591.db2.gz LHWSMWPBXOAODD-UHFFFAOYSA-N 0 2 404.442 3.968 20 0 HHADLN C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000055651415 965997952 /nfs/dbraw/zinc/99/79/52/965997952.db2.gz SONJRQCXUHOBRR-LBPRGKRZSA-N 0 2 412.433 3.919 20 0 HHADLN COc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000055666284 966009015 /nfs/dbraw/zinc/00/90/15/966009015.db2.gz VQOXJUFTILRBEF-UHFFFAOYSA-N 0 2 403.287 3.505 20 0 HHADLN CC(=O)Nc1cccc(N2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)c1 ZINC000031435915 966016527 /nfs/dbraw/zinc/01/65/27/966016527.db2.gz DTYBCFSSSUESBI-LZYBPNLTSA-N 0 2 415.452 3.665 20 0 HHADLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Cl)c(C(=O)NC2CCCCC2)c1 ZINC000055688407 966019937 /nfs/dbraw/zinc/01/99/37/966019937.db2.gz NKFXHMPBAJSRJS-UHFFFAOYSA-N 0 2 410.927 3.543 20 0 HHADLN Cc1ccc(-c2nc(C)c(C(=O)NNC(=O)c3cc(-c4ccccc4)on3)s2)o1 ZINC000031592460 966061739 /nfs/dbraw/zinc/06/17/39/966061739.db2.gz CNRUZRIEKPDIGC-UHFFFAOYSA-N 0 2 408.439 3.750 20 0 HHADLN CC(C)NC(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000031722073 966096509 /nfs/dbraw/zinc/09/65/09/966096509.db2.gz YOGKPBFTPLBKDT-UHFFFAOYSA-N 0 2 407.344 3.923 20 0 HHADLN O=C(N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)c1ccc2nc[nH]c2n1 ZINC000542718416 1013630161 /nfs/dbraw/zinc/63/01/61/1013630161.db2.gz KSLYXRHJWPOJCB-UHFFFAOYSA-N 0 2 414.450 3.943 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc(OS(=O)(=O)c3ccccc3)cc2)s1 ZINC000056061232 966198126 /nfs/dbraw/zinc/19/81/26/966198126.db2.gz ZTPQXBSVZODHDY-UHFFFAOYSA-N 0 2 409.510 3.625 20 0 HHADLN CC(C)c1c(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cnn1-c1ccccc1 ZINC000032467403 966263642 /nfs/dbraw/zinc/26/36/42/966263642.db2.gz OOMHARWNEJFXFM-UHFFFAOYSA-N 0 2 415.453 3.726 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCc1ccc(-n2cccn2)cc1 ZINC000542725891 1013637735 /nfs/dbraw/zinc/63/77/35/1013637735.db2.gz CJKGWWYILBTATH-UHFFFAOYSA-N 0 2 410.890 3.788 20 0 HHADLN O=C(C=Cc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000033341782 966406024 /nfs/dbraw/zinc/40/60/24/966406024.db2.gz UMWKHNBTANBHCS-YHYXMXQVSA-N 0 2 419.915 3.671 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3CC(C)(C)C)cc2[nH]c1=S ZINC000061527900 966490645 /nfs/dbraw/zinc/49/06/45/966490645.db2.gz DKFDRNYKXFJKPR-MRXNPFEDSA-N 0 2 417.575 3.763 20 0 HHADLN N#C[C@H](C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)c1nc2ccccc2s1 ZINC000041501536 966581619 /nfs/dbraw/zinc/58/16/19/966581619.db2.gz BXEXMDNPIFXQSU-MRXNPFEDSA-N 0 2 402.479 3.889 20 0 HHADLN Cc1csc(C(C#N)C(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)n1 ZINC000041515365 966584174 /nfs/dbraw/zinc/58/41/74/966584174.db2.gz NXIXLIOLZVYSBM-UKRRQHHQSA-N 0 2 419.453 3.782 20 0 HHADLN Cc1csc([C@H](C#N)C(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)n1 ZINC000041515365 966584181 /nfs/dbraw/zinc/58/41/81/966584181.db2.gz NXIXLIOLZVYSBM-UKRRQHHQSA-N 0 2 419.453 3.782 20 0 HHADLN Cc1csc(C(C#N)C(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)n1 ZINC000041515363 966584422 /nfs/dbraw/zinc/58/44/22/966584422.db2.gz NXIXLIOLZVYSBM-HIFRSBDPSA-N 0 2 419.453 3.782 20 0 HHADLN Cc1csc([C@@H](C#N)C(=O)[C@@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)n1 ZINC000041515363 966584425 /nfs/dbraw/zinc/58/44/25/966584425.db2.gz NXIXLIOLZVYSBM-HIFRSBDPSA-N 0 2 419.453 3.782 20 0 HHADLN N#C[C@H](C(=O)CCc1nc2ccccc2c(=O)[nH]1)c1nc(-c2ccccc2)cs1 ZINC000041537691 966590319 /nfs/dbraw/zinc/59/03/19/966590319.db2.gz ZCXOEFXJUJVLRX-MRXNPFEDSA-N 0 2 400.463 3.856 20 0 HHADLN N#CC(C(=O)COc1ccc2ccc(=O)oc2c1)c1nc2ccccc2n1C(F)F ZINC000041559633 966596380 /nfs/dbraw/zinc/59/63/80/966596380.db2.gz BDIFNQMNUMTYMM-AWEZNQCLSA-N 0 2 409.348 3.793 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)oc1C ZINC000542756825 1013663617 /nfs/dbraw/zinc/66/36/17/1013663617.db2.gz VVIAYEMYQRRVSW-CYBMUJFWSA-N 0 2 411.785 3.610 20 0 HHADLN COc1ccc(C(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000062930020 966743123 /nfs/dbraw/zinc/74/31/23/966743123.db2.gz PXKJVCIVHMUJIB-UHFFFAOYSA-N 0 2 412.870 3.525 20 0 HHADLN COc1ccccc1NC(=S)NNC(=O)c1cnc(-c2ccccc2F)s1 ZINC000063122861 966757289 /nfs/dbraw/zinc/75/72/89/966757289.db2.gz DIZDSSOEPCYGSK-UHFFFAOYSA-N 0 2 402.476 3.589 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)c1 ZINC000063184518 966771963 /nfs/dbraw/zinc/77/19/63/966771963.db2.gz DZQLXMOFYNULMO-UHFFFAOYSA-N 0 2 424.450 3.600 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)CCc3ccc(OC)cc3)cc2[nH]c1=S ZINC000063698688 966930370 /nfs/dbraw/zinc/93/03/70/966930370.db2.gz OFJZNFKDMLMNSP-HNNXBMFYSA-N 0 2 423.538 3.631 20 0 HHADLN O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC000044282251 967181091 /nfs/dbraw/zinc/18/10/91/967181091.db2.gz FCBJFNAFVJTJGF-LHLIQPBNSA-N 0 2 405.288 3.741 20 0 HHADLN Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)c1 ZINC000064478106 967204356 /nfs/dbraw/zinc/20/43/56/967204356.db2.gz VLQKGDXYVWZZKO-UHFFFAOYSA-N 0 2 416.524 3.905 20 0 HHADLN Cc1ccc(OCc2ccc(C(=O)NNC(=O)COc3cc(C)ccc3C)o2)c(C)c1 ZINC000064707487 967273530 /nfs/dbraw/zinc/27/35/30/967273530.db2.gz CXVPLGBPBWZRAU-UHFFFAOYSA-N 0 2 422.481 3.932 20 0 HHADLN O=C(Nc1cccc2c1OCCO2)c1[nH]nc(-c2ccccc2)c1Br ZINC000065108487 967380913 /nfs/dbraw/zinc/38/09/13/967380913.db2.gz WCBLHEJPZRRUHR-UHFFFAOYSA-N 0 2 400.232 3.863 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)Nc3ccc(C)c(F)c3)cc2[nH]c1=S ZINC000045573702 967500076 /nfs/dbraw/zinc/50/00/76/967500076.db2.gz QAMFJWWOUOIITR-UHFFFAOYSA-N 0 2 401.463 3.795 20 0 HHADLN C[C@@H]1CC[C@]2(CCN(C(=O)Nc3cccc(S(=O)(=O)Nc4nccs4)c3)C2)C1 ZINC000542899706 1013742749 /nfs/dbraw/zinc/74/27/49/1013742749.db2.gz ANTIOLWTRILRJS-KUHUBIRLSA-N 0 2 420.560 3.988 20 0 HHADLN CS(=O)(=O)Cc1ccc(S(=O)(=O)Nc2ncc(C3CCCCC3)s2)cc1 ZINC000542930708 1013765629 /nfs/dbraw/zinc/76/56/29/1013765629.db2.gz UZUVLQHINPNTPB-UHFFFAOYSA-N 0 2 414.574 3.536 20 0 HHADLN O=C(NCCc1ccc(Cl)s1)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000047144664 968067046 /nfs/dbraw/zinc/06/70/46/968067046.db2.gz YJIYASAEGPCLMZ-UHFFFAOYSA-N 0 2 419.890 3.760 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)c2cccnc12 ZINC000047252007 968104762 /nfs/dbraw/zinc/10/47/62/968104762.db2.gz JDDIGKCFFHFPMY-UHFFFAOYSA-N 0 2 408.483 3.847 20 0 HHADLN CCC[NH+]1CCN(c2ccc(NC(=O)c3cc(=O)c4ccccc4[n-]3)cc2Cl)CC1 ZINC000065875669 968694959 /nfs/dbraw/zinc/69/49/59/968694959.db2.gz HUGFAPKAIDIHIK-UHFFFAOYSA-N 0 2 424.932 3.966 20 0 HHADLN CC(C)(C)OC(=O)N(CCCNC(=O)c1c(O)cc(F)cc1F)Cc1cccnc1 ZINC000066045547 968780263 /nfs/dbraw/zinc/78/02/63/968780263.db2.gz QQPFUQMNUQSCHH-UHFFFAOYSA-N 0 2 421.444 3.623 20 0 HHADLN Cc1nc2sccc2c(=O)n1NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 ZINC000106205977 969300094 /nfs/dbraw/zinc/30/00/94/969300094.db2.gz YSKXBQYMNAMWIM-UHFFFAOYSA-N 0 2 419.510 3.740 20 0 HHADLN O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000108065359 969355005 /nfs/dbraw/zinc/35/50/05/969355005.db2.gz GAUBVONVJXPBIF-UHFFFAOYSA-N 0 2 424.507 3.987 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2ccc3c(ccn3CC(=O)N(CC)CC)c2)s1 ZINC000109763947 969561445 /nfs/dbraw/zinc/56/14/45/969561445.db2.gz QAXUOKUUQHBSBS-UHFFFAOYSA-N 0 2 419.572 3.934 20 0 HHADLN O=C(Nc1ccncc1)c1cccc(NS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000110020164 969610817 /nfs/dbraw/zinc/61/08/17/969610817.db2.gz SVHPJCGESRFDTB-UHFFFAOYSA-N 0 2 405.838 3.927 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)c1 ZINC000110024259 969611340 /nfs/dbraw/zinc/61/13/40/969611340.db2.gz UCRYGOCJRKHKGE-UHFFFAOYSA-N 0 2 406.485 3.540 20 0 HHADLN CC(C)c1noc(-c2ccc(NS(=O)(=O)c3cnn(-c4ccccc4)c3)cc2)n1 ZINC000110823160 969727917 /nfs/dbraw/zinc/72/79/17/969727917.db2.gz FESJYPHAWDACAW-UHFFFAOYSA-N 0 2 409.471 3.847 20 0 HHADLN O=C([O-])c1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)s1 ZINC000197754663 970003050 /nfs/dbraw/zinc/00/30/50/970003050.db2.gz RXLHUGCEAWBTCB-UHFFFAOYSA-N 0 2 406.507 3.994 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NCc3ccccc3OC(F)(F)F)cc2[nH]c1=S ZINC000138752016 970010132 /nfs/dbraw/zinc/01/01/32/970010132.db2.gz GTGKVZYBFRREOD-UHFFFAOYSA-N 0 2 423.416 3.908 20 0 HHADLN O=C(/C=C\c1cccc(F)c1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000215770840 970053213 /nfs/dbraw/zinc/05/32/13/970053213.db2.gz QGUBUILCFJCTOI-WTKPLQERSA-N 0 2 403.460 3.735 20 0 HHADLN O=S(=O)(Nc1ccc(F)nc1)c1ccc(Br)cc1Br ZINC000221722657 970099812 /nfs/dbraw/zinc/09/98/12/970099812.db2.gz MARJRNLZAHCKHR-UHFFFAOYSA-N 0 2 410.062 3.547 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc2cc(F)ccc2[nH]1 ZINC000223559012 970104939 /nfs/dbraw/zinc/10/49/39/970104939.db2.gz WFNNQYPYZMSTCD-UHFFFAOYSA-N 0 2 416.459 3.817 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(Br)cnc2Cl)ccc1Cl ZINC000232200218 970139267 /nfs/dbraw/zinc/13/92/67/970139267.db2.gz KELWTHHJABIKET-UHFFFAOYSA-N 0 2 412.092 3.960 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(Br)c(C)c1 ZINC000389363383 972812599 /nfs/dbraw/zinc/81/25/99/972812599.db2.gz XRLLRGHNYUHFPA-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000409481170 972931642 /nfs/dbraw/zinc/93/16/42/972931642.db2.gz ACPBDPDQIVAETG-UHFFFAOYSA-N 0 2 417.512 3.502 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)cc1OC ZINC000409491109 972942209 /nfs/dbraw/zinc/94/22/09/972942209.db2.gz KOEILJZSVQYHIV-UHFFFAOYSA-N 0 2 408.476 3.691 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(C)c(C)c3)s2)s1 ZINC000409502344 972954825 /nfs/dbraw/zinc/95/48/25/972954825.db2.gz NXOANCBFAMFZDT-UHFFFAOYSA-N 0 2 422.553 4.000 20 0 HHADLN Cc1ccc(Cc2cnc(NS(=O)(=O)c3ccc(C)c(C(N)=O)c3)s2)cc1C ZINC000409505144 972957346 /nfs/dbraw/zinc/95/73/46/972957346.db2.gz WXVZGCDVFGAJGF-UHFFFAOYSA-N 0 2 415.540 3.559 20 0 HHADLN O=C(COc1cccc(F)c1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000409547260 973004076 /nfs/dbraw/zinc/00/40/76/973004076.db2.gz YHUATHJQQOQEOD-UHFFFAOYSA-N 0 2 409.190 3.530 20 0 HHADLN CC(C)(C)c1cc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)n(C(C)(C)C)n1 ZINC000409579885 973029252 /nfs/dbraw/zinc/02/92/52/973029252.db2.gz DTOAAKVWXAVWLM-UHFFFAOYSA-N 0 2 415.563 3.981 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nc2c(s1)CCCCC2 ZINC000409597619 973045750 /nfs/dbraw/zinc/04/57/50/973045750.db2.gz VSCVCTKEPFTADO-UHFFFAOYSA-N 0 2 400.909 3.653 20 0 HHADLN Cn1ccc2c(NS(=O)(=O)c3ccc(Cl)c(F)c3Cl)cccc2c1=O ZINC000410321094 973867421 /nfs/dbraw/zinc/86/74/21/973867421.db2.gz KJGWATLIHDNIKX-UHFFFAOYSA-N 0 2 401.246 3.785 20 0 HHADLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2cccc3c2OC(C)(C)C3)o1 ZINC000410326382 973883152 /nfs/dbraw/zinc/88/31/52/973883152.db2.gz NOWSSIQZFDDRPR-UHFFFAOYSA-N 0 2 403.435 3.698 20 0 HHADLN CC1(C)Cc2cccc(S(=O)(=O)Nc3ccc(NC(=O)c4ccccc4)nc3)c2O1 ZINC000410330769 973905427 /nfs/dbraw/zinc/90/54/27/973905427.db2.gz ZVLVYKIWHSSNSN-UHFFFAOYSA-N 0 2 423.494 3.848 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3cc([C@@H]4CCCO4)nn3C)c2)n1 ZINC000410332478 973908444 /nfs/dbraw/zinc/90/84/44/973908444.db2.gz GZKWDSBUFPDQIY-INIZCTEOSA-N 0 2 404.517 3.504 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3ccnn3-c3cc(C)ccn3)c2)n1 ZINC000410339533 973924232 /nfs/dbraw/zinc/92/42/32/973924232.db2.gz UDJVLGNSQBDOQA-UHFFFAOYSA-N 0 2 411.512 3.808 20 0 HHADLN COCCOc1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1F ZINC000410376744 973974530 /nfs/dbraw/zinc/97/45/30/973974530.db2.gz WAOBHZXODZKFKK-UHFFFAOYSA-N 0 2 422.247 3.553 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1nc[nH]n1)c1ccc(Cl)cc1Br ZINC000410378624 973977045 /nfs/dbraw/zinc/97/70/45/973977045.db2.gz CRWLQYXASDDCAX-UHFFFAOYSA-N 0 2 413.684 3.688 20 0 HHADLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1cccc(Br)c1F ZINC000410395728 973994017 /nfs/dbraw/zinc/99/40/17/973994017.db2.gz RFUPWZOPHFOGIR-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN CCn1ncc(NS(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1C(F)(F)F ZINC000410402609 974001892 /nfs/dbraw/zinc/00/18/92/974001892.db2.gz JEDKHPVIWRHVGX-UHFFFAOYSA-N 0 2 418.372 3.658 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C(C)C)cc1OC ZINC000410404239 974004212 /nfs/dbraw/zinc/00/42/12/974004212.db2.gz ZACATRJJUOEORZ-UHFFFAOYSA-N 0 2 423.535 3.649 20 0 HHADLN CNC(=O)c1cc(Oc2ccccc2NS(=O)(=O)c2ccccc2Cl)ccn1 ZINC000425975004 974083431 /nfs/dbraw/zinc/08/34/31/974083431.db2.gz FYURJFOJPCHYTA-UHFFFAOYSA-N 0 2 417.874 3.688 20 0 HHADLN O=S(=O)(Nc1ccc2n[nH]nc2c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000426304998 974384492 /nfs/dbraw/zinc/38/44/92/974384492.db2.gz VEXBCHIPDLXFFM-UHFFFAOYSA-N 0 2 410.299 3.796 20 0 HHADLN O=S(=O)(Nc1ccc2nn[nH]c2c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000426304998 974384500 /nfs/dbraw/zinc/38/45/00/974384500.db2.gz VEXBCHIPDLXFFM-UHFFFAOYSA-N 0 2 410.299 3.796 20 0 HHADLN Cc1nc(C[NH2+]Cc2cccc(Br)c2OC(F)F)sc1C(=O)[O-] ZINC000426706666 974607654 /nfs/dbraw/zinc/60/76/54/974607654.db2.gz VVXAGRBIHWXQMX-UHFFFAOYSA-N 0 2 407.236 3.803 20 0 HHADLN COCCc1nc(=NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)s[n-]1 ZINC000426906298 974744329 /nfs/dbraw/zinc/74/43/29/974744329.db2.gz ZKRFLDIBPWHITA-UHFFFAOYSA-N 0 2 405.527 3.673 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cnn1C ZINC000427104362 974906959 /nfs/dbraw/zinc/90/69/59/974906959.db2.gz NPUNYSLMOHSLMV-UHFFFAOYSA-N 0 2 402.442 3.538 20 0 HHADLN O=S(=O)(Nc1cccc(-c2cc[nH]n2)c1)c1cccc(OC(F)(F)F)c1F ZINC000427132064 974928942 /nfs/dbraw/zinc/92/89/42/974928942.db2.gz YQCOSDHMFYOZFI-UHFFFAOYSA-N 0 2 401.341 3.915 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CCS[C@H](C)CC2)cc1 ZINC000427163597 974950200 /nfs/dbraw/zinc/95/02/00/974950200.db2.gz RVGKIBPVHXLFKC-CQSZACIVSA-N 0 2 410.586 3.825 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000427204026 974976315 /nfs/dbraw/zinc/97/63/15/974976315.db2.gz LNNYQZUJKSBNKP-UHFFFAOYSA-N 0 2 407.861 3.962 20 0 HHADLN CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000427244799 975001607 /nfs/dbraw/zinc/00/16/07/975001607.db2.gz WXFLKPYXLYLDJK-UHFFFAOYSA-N 0 2 419.528 3.506 20 0 HHADLN Cc1ccc2c(n1)[nH]cc(C(=O)N1CCC[C@@H](c3nc4c(s3)CCCC4)C1)c2=O ZINC000427476064 975138260 /nfs/dbraw/zinc/13/82/60/975138260.db2.gz KWQPVUARYHMWJF-CQSZACIVSA-N 0 2 408.527 3.999 20 0 HHADLN Cn1ccnc1-c1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 ZINC000427749924 975266934 /nfs/dbraw/zinc/26/69/34/975266934.db2.gz SGJMPHNVJUQUMT-UHFFFAOYSA-N 0 2 415.368 3.926 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nc(C3CC3)c(Cc3ccccc3F)s2)cnn1C ZINC000427774056 975280810 /nfs/dbraw/zinc/28/08/10/975280810.db2.gz AYFMFJPBZNBHQO-UHFFFAOYSA-N 0 2 406.508 3.593 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2nc(C(C)(C)C)co2)cn1 ZINC000427773479 975280967 /nfs/dbraw/zinc/28/09/67/975280967.db2.gz JRSVUYHNUMKEAD-UHFFFAOYSA-N 0 2 410.883 3.621 20 0 HHADLN Cc1nc2ccc(S(=O)(=O)Nc3nnc(-c4cc(F)ccc4C)o3)cc2s1 ZINC000427774749 975281272 /nfs/dbraw/zinc/28/12/72/975281272.db2.gz BBUAMGYYKGLZPD-UHFFFAOYSA-N 0 2 404.448 3.903 20 0 HHADLN COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2ncc(C3CCCCC3)s2)c1 ZINC000427782444 975285592 /nfs/dbraw/zinc/28/55/92/975285592.db2.gz SBTCIQFVFGGFJP-UHFFFAOYSA-N 0 2 424.544 3.925 20 0 HHADLN O=C(NCc1ccnc(Oc2ccccc2F)c1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000428033025 975397837 /nfs/dbraw/zinc/39/78/37/975397837.db2.gz LXBHSGRFKJJARQ-UHFFFAOYSA-N 0 2 422.391 3.973 20 0 HHADLN COc1cccc2c1CCN(C(=O)C1=NN(c3ccc(C(C)C)cc3)CC1=O)CC2 ZINC000428075670 975420157 /nfs/dbraw/zinc/42/01/57/975420157.db2.gz QUWVKQHCSKCWLI-UHFFFAOYSA-N 0 2 405.498 3.951 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)=N1 ZINC000428601991 975911063 /nfs/dbraw/zinc/91/10/63/975911063.db2.gz OXZYAJCNCPASGG-SECBINFHSA-N 0 2 414.384 3.992 20 0 HHADLN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC000428612753 975919211 /nfs/dbraw/zinc/91/92/11/975919211.db2.gz ADVFKUWBPCIYEL-GOSISDBHSA-N 0 2 415.877 3.700 20 0 HHADLN Cc1nc2ccc(NS(=O)(=O)c3cc(Cl)ccc3OCCC3CC3)cn2n1 ZINC000430366385 977504379 /nfs/dbraw/zinc/50/43/79/977504379.db2.gz IXHCBXHFYOYKAI-UHFFFAOYSA-N 0 2 406.895 3.671 20 0 HHADLN CN(C)c1cccc(CNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)n1 ZINC000430586578 977645527 /nfs/dbraw/zinc/64/55/27/977645527.db2.gz TYLBXAUGZDROSY-UHFFFAOYSA-N 0 2 414.465 3.711 20 0 HHADLN O=S(=O)(Nc1nnc(SCc2cccs2)s1)c1ccc2c(c1)COC2 ZINC000431315604 978200708 /nfs/dbraw/zinc/20/07/08/978200708.db2.gz ZDDYNJUXTKVIFW-UHFFFAOYSA-N 0 2 411.555 3.723 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1nnc(-c2ccc(C)cc2C)s1 ZINC000431334201 978218632 /nfs/dbraw/zinc/21/86/32/978218632.db2.gz WHZPHEQACBSVAA-UHFFFAOYSA-N 0 2 421.500 3.619 20 0 HHADLN COCc1cccc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)c1 ZINC000431343110 978223885 /nfs/dbraw/zinc/22/38/85/978223885.db2.gz YJGDXUHREFQBIU-UHFFFAOYSA-N 0 2 407.542 3.778 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2sccc2C)cc(Br)c1F ZINC000431908908 978592664 /nfs/dbraw/zinc/59/26/64/978592664.db2.gz ICHHIFUOCSNTJO-UHFFFAOYSA-N 0 2 408.270 3.546 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)c(OC)c1 ZINC000432351160 978772408 /nfs/dbraw/zinc/77/24/08/978772408.db2.gz JNSKKKOMKVYJAV-UHFFFAOYSA-N 0 2 424.475 3.776 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)sc1C1CC1 ZINC000432357889 978776458 /nfs/dbraw/zinc/77/64/58/978776458.db2.gz JSRZGZWUZYMPSF-UHFFFAOYSA-N 0 2 424.397 3.766 20 0 HHADLN O=S(=O)(Nc1cccnc1N1CCOCC1)c1csc2ccc(Cl)cc21 ZINC000432376435 978785573 /nfs/dbraw/zinc/78/55/73/978785573.db2.gz ZXQXZRZEYTVZEQ-UHFFFAOYSA-N 0 2 409.920 3.587 20 0 HHADLN O=S(=O)(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cnn(Cc2ccccc2)c1 ZINC000432489874 978844637 /nfs/dbraw/zinc/84/46/37/978844637.db2.gz BENSQOPGAGRPNA-UHFFFAOYSA-N 0 2 421.482 3.660 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)cc1 ZINC000432539876 978873518 /nfs/dbraw/zinc/87/35/18/978873518.db2.gz DPOJJJIKZWXTCJ-KRWDZBQOSA-N 0 2 401.513 3.816 20 0 HHADLN COc1ccc(Cl)cc1-c1cc(NS(=O)(=O)c2ccc(N(C)C)cc2)n[nH]1 ZINC000432766617 978966364 /nfs/dbraw/zinc/96/63/64/978966364.db2.gz DGLNTIKCTCBRHM-UHFFFAOYSA-N 0 2 406.895 3.606 20 0 HHADLN Cc1sc(Br)cc1S(=O)(=O)Nc1noc(Cc2ccccc2)n1 ZINC000432971227 979029607 /nfs/dbraw/zinc/02/96/07/979029607.db2.gz MVZKXUYGVKURCD-UHFFFAOYSA-N 0 2 414.306 3.594 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)ccc1F ZINC000433138647 979094164 /nfs/dbraw/zinc/09/41/64/979094164.db2.gz YRVOBLJTSHFUBI-UHFFFAOYSA-N 0 2 406.439 3.622 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n(C2CCOCC2)n1 ZINC000433373461 979261321 /nfs/dbraw/zinc/26/13/21/979261321.db2.gz GVYQUOWHCQQAMZ-UHFFFAOYSA-N 0 2 407.389 3.502 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cnccc2-c2cccc(F)c2)c1C ZINC000433405968 979280861 /nfs/dbraw/zinc/28/08/61/979280861.db2.gz KNFKCBHWTQTEPI-UHFFFAOYSA-N 0 2 417.462 3.810 20 0 HHADLN CCN(C(=O)C1=NN(c2ccc(F)cc2C)CC1=O)[C@@H](COC)Cc1ccccc1 ZINC000434333296 980096830 /nfs/dbraw/zinc/09/68/30/980096830.db2.gz LQEWBQDPBSFCQH-LJQANCHMSA-N 0 2 411.477 3.745 20 0 HHADLN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cc(-c3ccccc3C)n[nH]2)cc1 ZINC000434963592 980534848 /nfs/dbraw/zinc/53/48/48/980534848.db2.gz RUVSKMOMGVYESU-UHFFFAOYSA-N 0 2 412.515 3.668 20 0 HHADLN CCCc1ccc(-c2cc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)[nH]n2)cc1 ZINC000434965118 980536448 /nfs/dbraw/zinc/53/64/48/980536448.db2.gz DCLLGEFEIHEZRY-UHFFFAOYSA-N 0 2 412.515 3.532 20 0 HHADLN C[C@@H]1CCc2nc(NS(=O)(=O)c3cc(F)ccc3Br)sc2C1 ZINC000434977617 980544490 /nfs/dbraw/zinc/54/44/90/980544490.db2.gz RCMDTCOEPAMYKG-MRVPVSSYSA-N 0 2 405.314 3.970 20 0 HHADLN C[C@H]1CCc2nc(NC(=O)C(=O)Nc3cc(Cl)c(O)c(Cl)c3)sc2C1 ZINC000434991581 980554047 /nfs/dbraw/zinc/55/40/47/980554047.db2.gz PKAXZIPSIGYVGE-ZETCQYMHSA-N 0 2 400.287 3.858 20 0 HHADLN COCCOc1ccc(F)cc1NS(=O)(=O)c1cccc(C)c1Br ZINC000435142944 980675481 /nfs/dbraw/zinc/67/54/81/980675481.db2.gz ZEVLDDWKZSLKIY-UHFFFAOYSA-N 0 2 418.284 3.723 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccccc2N2CCCC2=O)c1Br ZINC000435146608 980678211 /nfs/dbraw/zinc/67/82/11/980678211.db2.gz NCEDTZPVDMYHLS-UHFFFAOYSA-N 0 2 409.305 3.685 20 0 HHADLN CCn1cc(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c(C(F)(F)F)n1 ZINC000435462572 980876424 /nfs/dbraw/zinc/87/64/24/980876424.db2.gz HUAIZYQTHFMVLR-UHFFFAOYSA-N 0 2 401.801 3.768 20 0 HHADLN CC(C)Oc1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)ccc1C(N)=O ZINC000435475879 980889148 /nfs/dbraw/zinc/88/91/48/980889148.db2.gz YPUFWOHFNUAYBF-UHFFFAOYSA-N 0 2 421.277 3.819 20 0 HHADLN Cn1c(=O)ccc2ccc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)cc21 ZINC000435507065 980908150 /nfs/dbraw/zinc/90/81/50/980908150.db2.gz YDPITDTVDXYNEM-UHFFFAOYSA-N 0 2 401.246 3.785 20 0 HHADLN O=C(Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc(-c2ccccc2)n[nH]1 ZINC000435644647 980972624 /nfs/dbraw/zinc/97/26/24/980972624.db2.gz CWXHJQWPMBENNZ-FQEVSTJZSA-N 0 2 412.497 3.973 20 0 HHADLN Cn1nc(-c2ccncc2)cc1NS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435714484 980997726 /nfs/dbraw/zinc/99/77/26/980997726.db2.gz KUFRVNYMUOIGJG-UHFFFAOYSA-N 0 2 401.250 3.729 20 0 HHADLN Cn1nc([C@@H]2CCCOC2)cc1NS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435901685 981083591 /nfs/dbraw/zinc/08/35/91/981083591.db2.gz KGXLAHKFWPBQQB-SECBINFHSA-N 0 2 408.282 3.561 20 0 HHADLN Cn1nc([C@H]2CCCOC2)cc1NS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435901686 981083613 /nfs/dbraw/zinc/08/36/13/981083613.db2.gz KGXLAHKFWPBQQB-VIFPVBQESA-N 0 2 408.282 3.561 20 0 HHADLN CC(C)c1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cn1 ZINC000435979809 981128066 /nfs/dbraw/zinc/12/80/66/981128066.db2.gz GTNRIMFHVOURKR-UHFFFAOYSA-N 0 2 402.501 3.715 20 0 HHADLN CC(C)NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1 ZINC000436004417 981147036 /nfs/dbraw/zinc/14/70/36/981147036.db2.gz CXAHOAYZXIDYJW-UHFFFAOYSA-N 0 2 418.412 3.712 20 0 HHADLN CO[C@@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000436005759 981148613 /nfs/dbraw/zinc/14/86/13/981148613.db2.gz HMGPGERTABIYGS-JTQLQIEISA-N 0 2 420.384 3.619 20 0 HHADLN COc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc(OC)c1OC ZINC000436015740 981156674 /nfs/dbraw/zinc/15/66/74/981156674.db2.gz WTWKCMROQZIGSO-UHFFFAOYSA-N 0 2 409.357 3.671 20 0 HHADLN O=C1CSc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)cc2N1 ZINC000436019005 981158962 /nfs/dbraw/zinc/15/89/62/981158962.db2.gz AYPINHSDGQXPCT-UHFFFAOYSA-N 0 2 406.382 3.690 20 0 HHADLN Cc1nc(-c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)c2)n[nH]1 ZINC000436018702 981159157 /nfs/dbraw/zinc/15/91/57/981159157.db2.gz FMROEMWLDBXVEY-UHFFFAOYSA-N 0 2 400.357 3.739 20 0 HHADLN CC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1 ZINC000436020297 981160803 /nfs/dbraw/zinc/16/08/03/981160803.db2.gz YUVKWKRDTFEVNT-UHFFFAOYSA-N 0 2 404.385 3.784 20 0 HHADLN O=S(=O)(Nc1ccc(OC2COC2)cc1)c1c(Cl)cccc1C(F)(F)F ZINC000436150204 981222351 /nfs/dbraw/zinc/22/23/51/981222351.db2.gz JKZKHNYJCIYEGF-UHFFFAOYSA-N 0 2 407.797 3.937 20 0 HHADLN COc1cc(S(=O)(=O)Nc2ccc(Cl)cc2O)c(OC)cc1Br ZINC000436162084 981228379 /nfs/dbraw/zinc/22/83/79/981228379.db2.gz DHQLVGUHZXXNET-UHFFFAOYSA-N 0 2 422.684 3.626 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2cccc(C(C)(F)F)c2)c1 ZINC000436202594 981247783 /nfs/dbraw/zinc/24/77/83/981247783.db2.gz XHSFMYLICIYJSQ-UHFFFAOYSA-N 0 2 417.405 3.924 20 0 HHADLN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(F)c(-c3nc[nH]n3)c2)cc1Cl ZINC000436478509 981393667 /nfs/dbraw/zinc/39/36/67/981393667.db2.gz PVGXFIZRRWTKLU-UHFFFAOYSA-N 0 2 417.249 3.727 20 0 HHADLN COCCOc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)c(C)c1 ZINC000436478709 981394547 /nfs/dbraw/zinc/39/45/47/981394547.db2.gz RMPSOSFEHIWLSQ-UHFFFAOYSA-N 0 2 405.394 3.545 20 0 HHADLN CCOC(=O)Cc1nnc(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)s1 ZINC000436515333 981411172 /nfs/dbraw/zinc/41/11/72/981411172.db2.gz QKBFFFDJTNVSOY-UHFFFAOYSA-N 0 2 417.874 3.922 20 0 HHADLN COc1ccc(I)c(NC(=O)c2cc(F)c(O)c(F)c2)c1 ZINC000436531389 981423392 /nfs/dbraw/zinc/42/33/92/981423392.db2.gz HTFIGNQJKHGKPV-UHFFFAOYSA-N 0 2 405.138 3.536 20 0 HHADLN O=C(NC1(c2ccc(Br)cc2)CCOCC1)c1cc(F)c(O)c(F)c1 ZINC000436538503 981428950 /nfs/dbraw/zinc/42/89/50/981428950.db2.gz VZEBJFWPSMOFMM-UHFFFAOYSA-N 0 2 412.230 3.869 20 0 HHADLN CCC(=O)c1ccc(O)c(NS(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)c1 ZINC000436604773 981470247 /nfs/dbraw/zinc/47/02/47/981470247.db2.gz KBYTTXXBTYHNIW-UHFFFAOYSA-N 0 2 423.450 3.989 20 0 HHADLN CCC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(OC)cc2Br)c1 ZINC000436612050 981474212 /nfs/dbraw/zinc/47/42/12/981474212.db2.gz XOQQAWRVURXHEB-UHFFFAOYSA-N 0 2 414.277 3.557 20 0 HHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000436628861 981482679 /nfs/dbraw/zinc/48/26/79/981482679.db2.gz RQSYIZPZNFPREN-UHFFFAOYSA-N 0 2 400.347 3.647 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000436636628 981487003 /nfs/dbraw/zinc/48/70/03/981487003.db2.gz VZJYWRXNZKZGHH-UHFFFAOYSA-N 0 2 413.276 3.675 20 0 HHADLN CCCC[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O ZINC000436668287 981501310 /nfs/dbraw/zinc/50/13/10/981501310.db2.gz XIAFQNOHDIGBFX-OAHLLOKOSA-N 0 2 420.531 3.852 20 0 HHADLN C[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000436680458 981508996 /nfs/dbraw/zinc/50/89/96/981508996.db2.gz JMXSMNBTLFQJCO-INIZCTEOSA-N 0 2 422.554 3.986 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000436709509 981524204 /nfs/dbraw/zinc/52/42/04/981524204.db2.gz NXJQSSNGEQAWMG-MPBGBICISA-N 0 2 405.857 3.714 20 0 HHADLN C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436715889 981527604 /nfs/dbraw/zinc/52/76/04/981527604.db2.gz ZDGRWULGEKJLOM-RYUDHWBXSA-N 0 2 407.923 3.524 20 0 HHADLN C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436715889 981527609 /nfs/dbraw/zinc/52/76/09/981527609.db2.gz ZDGRWULGEKJLOM-RYUDHWBXSA-N 0 2 407.923 3.524 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCOc2cccc(F)c2C1 ZINC000436735703 981538110 /nfs/dbraw/zinc/53/81/10/981538110.db2.gz MQDQWPZJWYCZTM-UHFFFAOYSA-N 0 2 400.631 3.982 20 0 HHADLN CSCC[C@H](NC(=O)c1cc(-c2ccccc2)cc(Cl)c1O)C(=O)N(C)C ZINC000436748844 981543890 /nfs/dbraw/zinc/54/38/90/981543890.db2.gz HUJQTNNHOMZHFA-KRWDZBQOSA-N 0 2 406.935 3.652 20 0 HHADLN Cc1c(COC(C)(C)C)cccc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O ZINC000436782610 981559422 /nfs/dbraw/zinc/55/94/22/981559422.db2.gz NXQPAGNAFXCVFR-UHFFFAOYSA-N 0 2 420.531 3.518 20 0 HHADLN CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)c1cc(F)cc(Cl)c1O ZINC000436790328 981562785 /nfs/dbraw/zinc/56/27/85/981562785.db2.gz NXJFTKPXVAPHDP-GFCCVEGCSA-N 0 2 421.774 3.715 20 0 HHADLN O=C(N[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1)c1cc2ccccc2o1 ZINC000436792762 981564128 /nfs/dbraw/zinc/56/41/28/981564128.db2.gz XNJKWOUTROPDOU-AWEZNQCLSA-N 0 2 416.836 3.966 20 0 HHADLN COCCN(Cc1ccc(Br)s1)C(=O)c1cc(F)c(O)c(F)c1 ZINC000436813136 981572922 /nfs/dbraw/zinc/57/29/22/981572922.db2.gz HCEQIRKCHXGSEH-UHFFFAOYSA-N 0 2 406.248 3.783 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1O ZINC000436817753 981574493 /nfs/dbraw/zinc/57/44/93/981574493.db2.gz CCQGCQXZXAKEEH-UHFFFAOYSA-N 0 2 409.769 3.652 20 0 HHADLN O=C(Nc1ccccc1)C1CCN(C(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436849331 981588880 /nfs/dbraw/zinc/58/88/80/981588880.db2.gz RYWOUGHWVHIWHU-UHFFFAOYSA-N 0 2 421.266 3.785 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCN(c2ccccc2Cl)CC1 ZINC000436849611 981589430 /nfs/dbraw/zinc/58/94/30/981589430.db2.gz TYXHFSHECXRCOA-UHFFFAOYSA-N 0 2 413.674 3.910 20 0 HHADLN CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cc(F)cc(Br)c1O ZINC000436850136 981589581 /nfs/dbraw/zinc/58/95/81/981589581.db2.gz YSYMQIKAQITJDY-UHFFFAOYSA-N 0 2 412.255 3.973 20 0 HHADLN O=C(NCc1nnc(-c2ccccc2)s1)c1cc(F)cc(Br)c1O ZINC000436853336 981592040 /nfs/dbraw/zinc/59/20/40/981592040.db2.gz BQSQJWFIXSLSCJ-UHFFFAOYSA-N 0 2 408.252 3.742 20 0 HHADLN COc1ccc(C[C@H](C)NC(=O)c2cc(F)cc(Br)c2O)cc1OC ZINC000436855013 981592885 /nfs/dbraw/zinc/59/28/85/981592885.db2.gz HEHHFNUYGHYTLA-JTQLQIEISA-N 0 2 412.255 3.672 20 0 HHADLN COc1cccc(N2CC[C@H](CNC(=O)c3cc(F)cc(Br)c3O)C2)c1 ZINC000436860744 981595697 /nfs/dbraw/zinc/59/56/97/981595697.db2.gz YATCQHIVPQHMNI-GFCCVEGCSA-N 0 2 423.282 3.559 20 0 HHADLN CCS[C@H](C)c1noc(CN(C)C(=O)c2cc(F)cc(Br)c2O)n1 ZINC000436862038 981596141 /nfs/dbraw/zinc/59/61/41/981596141.db2.gz GKJDMOKFJQUGPQ-MRVPVSSYSA-N 0 2 418.288 3.763 20 0 HHADLN O=S(=O)(NCc1ccccc1)c1ccc(O)c(-c2nc(-c3ccccc3)no2)c1 ZINC000436894209 981603954 /nfs/dbraw/zinc/60/39/54/981603954.db2.gz DIQQUJQHBJVILZ-UHFFFAOYSA-N 0 2 407.451 3.588 20 0 HHADLN O=S(=O)(c1ccc(O)c(-c2nc(-c3ccccc3Cl)no2)c1)N1CCCC1 ZINC000436896860 981605070 /nfs/dbraw/zinc/60/50/70/981605070.db2.gz ORSCRCOYMJZQJV-UHFFFAOYSA-N 0 2 405.863 3.547 20 0 HHADLN O=c1[nH]c(C=Cc2cc(Br)c(O)c(Br)c2)nc2cnccc12 ZINC000436935848 981633086 /nfs/dbraw/zinc/63/30/86/981633086.db2.gz RBJNZIMSQRWWRN-OWOJBTEDSA-N 0 2 423.064 3.719 20 0 HHADLN C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000436979369 981663586 /nfs/dbraw/zinc/66/35/86/981663586.db2.gz KPTNMWLIROJNJJ-SJORKVTESA-N 0 2 413.276 3.640 20 0 HHADLN C[N@H+]1CCO[C@@H]([C@@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000436979369 981663592 /nfs/dbraw/zinc/66/35/92/981663592.db2.gz KPTNMWLIROJNJJ-SJORKVTESA-N 0 2 413.276 3.640 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)s2)c1 ZINC000437180021 981836504 /nfs/dbraw/zinc/83/65/04/981836504.db2.gz JMLZFNFQUNDXFX-UHFFFAOYSA-N 0 2 413.883 3.731 20 0 HHADLN CS(=O)(=O)c1ccc2nc(NS(=O)(=O)c3cccc4ccccc43)sc2c1 ZINC000437196328 981854084 /nfs/dbraw/zinc/85/40/84/981854084.db2.gz UNBBCXWMHISEEB-UHFFFAOYSA-N 0 2 418.521 3.654 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(Cl)c2)s1)c1ccc2c(c1)COC2 ZINC000437201956 981860305 /nfs/dbraw/zinc/86/03/05/981860305.db2.gz LZRCNMABDKUBMK-UHFFFAOYSA-N 0 2 407.904 3.613 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)NCc1ccoc1 ZINC000448545808 981874273 /nfs/dbraw/zinc/87/42/73/981874273.db2.gz MLEWBKOODHVNSM-UHFFFAOYSA-N 0 2 403.435 3.850 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCC(OCc2ccccc2)CC1 ZINC000460130291 981904739 /nfs/dbraw/zinc/90/47/39/981904739.db2.gz VEOSBVCIWHBZDX-UHFFFAOYSA-N 0 2 400.529 3.902 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N(CCO)[C@@H]1CCCc2ccccc21 ZINC000460130492 981904770 /nfs/dbraw/zinc/90/47/70/981904770.db2.gz MKIZMUVBPPSXPH-MRXNPFEDSA-N 0 2 400.529 3.592 20 0 HHADLN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)cc1 ZINC000437302718 981954694 /nfs/dbraw/zinc/95/46/94/981954694.db2.gz FYGNXUZBJQAGJT-UHFFFAOYSA-N 0 2 402.303 3.671 20 0 HHADLN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)c1 ZINC000437319440 981971515 /nfs/dbraw/zinc/97/15/15/981971515.db2.gz ACUSELSCTVKMJX-UHFFFAOYSA-N 0 2 418.478 3.991 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccc2F)cc1Br ZINC000437325565 981977233 /nfs/dbraw/zinc/97/72/33/981977233.db2.gz RFMBXLLBZVGYQX-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2nc(C3CC3)cs2)cn1 ZINC000437326694 981978022 /nfs/dbraw/zinc/97/80/22/981978022.db2.gz WMPWMRMOFUWJGZ-UHFFFAOYSA-N 0 2 410.908 3.669 20 0 HHADLN Cc1c(F)cccc1S(=O)(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000437327339 981979113 /nfs/dbraw/zinc/97/91/13/981979113.db2.gz SWLLFCJKHQINOD-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)c1 ZINC000437338654 981988174 /nfs/dbraw/zinc/98/81/74/981988174.db2.gz QBPYHTHWXIRBKN-UHFFFAOYSA-N 0 2 422.915 3.975 20 0 HHADLN Cc1c(F)cccc1S(=O)(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000437402657 982046695 /nfs/dbraw/zinc/04/66/95/982046695.db2.gz CUFVIBNWAYLIBS-UHFFFAOYSA-N 0 2 417.531 3.950 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2nc(C)c(Cc3cccc(C)c3)s2)c1C ZINC000437403897 982048076 /nfs/dbraw/zinc/04/80/76/982048076.db2.gz ADZZMYLUNYXWSP-UHFFFAOYSA-N 0 2 404.561 3.985 20 0 HHADLN Cc1occc1C(=O)NC1CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000460384724 982163130 /nfs/dbraw/zinc/16/31/30/982163130.db2.gz FHCORMUBWBMUPA-UHFFFAOYSA-N 0 2 417.307 3.621 20 0 HHADLN Cc1occc1C(=O)NC1CCN(Cc2nc3ccc(Br)cc3[nH]2)CC1 ZINC000460384724 982163133 /nfs/dbraw/zinc/16/31/33/982163133.db2.gz FHCORMUBWBMUPA-UHFFFAOYSA-N 0 2 417.307 3.621 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1ncccc1OCC(F)(F)F ZINC000437569244 982201643 /nfs/dbraw/zinc/20/16/43/982201643.db2.gz QAWSHPNFJLZVPR-UHFFFAOYSA-N 0 2 414.796 3.869 20 0 HHADLN Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000460421614 982209641 /nfs/dbraw/zinc/20/96/41/982209641.db2.gz CRLACSAMKXAXTQ-UHFFFAOYSA-N 0 2 416.478 3.715 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(F)cc2C)nc1C(F)(F)F ZINC000460529904 982317017 /nfs/dbraw/zinc/31/70/17/982317017.db2.gz YEFAPMXUNZVLMU-UHFFFAOYSA-N 0 2 412.386 3.587 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)c(F)c2)o1)c1ccc(C(F)(F)F)cc1 ZINC000460543934 982330817 /nfs/dbraw/zinc/33/08/17/982330817.db2.gz KFBBFOAHDUJRKR-UHFFFAOYSA-N 0 2 405.304 3.834 20 0 HHADLN COc1ccc(-c2n[nH]c(NC(=O)c3ncsc3-c3ccccc3)n2)c(OC)c1 ZINC000437800059 982364724 /nfs/dbraw/zinc/36/47/24/982364724.db2.gz LVZBCXSJMIUIAA-UHFFFAOYSA-N 0 2 407.455 3.865 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000437814639 982374374 /nfs/dbraw/zinc/37/43/74/982374374.db2.gz MTIMKADQPGJZTN-LEWJYISDSA-N 0 2 413.481 3.892 20 0 HHADLN O=C(c1cc(F)cc(F)c1)c1cccnc1NS(=O)(=O)Cc1ccccc1F ZINC000460626723 982402666 /nfs/dbraw/zinc/40/26/66/982402666.db2.gz OIBWHVCAAKUQLG-UHFFFAOYSA-N 0 2 406.385 3.672 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(OCc2ccccn2)cc1 ZINC000460670430 982436415 /nfs/dbraw/zinc/43/64/15/982436415.db2.gz IGWUDVGARDYZFP-UHFFFAOYSA-N 0 2 406.467 3.643 20 0 HHADLN O=S(=O)(Nc1nccc(-c2cncc(F)c2)n1)c1ccc(C(F)(F)F)s1 ZINC000461114754 982806898 /nfs/dbraw/zinc/80/68/98/982806898.db2.gz CFYLPDOJSIEXQL-UHFFFAOYSA-N 0 2 404.370 3.559 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(C)n(C)nc2c1 ZINC000461335196 983025066 /nfs/dbraw/zinc/02/50/66/983025066.db2.gz SZXMYHCVQZSWSK-UHFFFAOYSA-N 0 2 423.922 3.751 20 0 HHADLN CCc1nnc(-c2ccc(NS(=O)(=O)c3cc(Cl)ccc3C(=O)OC)cc2)o1 ZINC000438723156 983026321 /nfs/dbraw/zinc/02/63/21/983026321.db2.gz NXVFZQKIYOYZSA-UHFFFAOYSA-N 0 2 421.862 3.540 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2OCc2cccc(Cl)c2)c[nH]1 ZINC000438764516 983055537 /nfs/dbraw/zinc/05/55/37/983055537.db2.gz KUFVKGYOVXIMOW-UHFFFAOYSA-N 0 2 420.874 3.835 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(F)c(C(F)(F)F)c2)cn1 ZINC000438797173 983076521 /nfs/dbraw/zinc/07/65/21/983076521.db2.gz ORIWCVGRNFTVHX-UHFFFAOYSA-N 0 2 415.368 3.840 20 0 HHADLN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000438892450 983140108 /nfs/dbraw/zinc/14/01/08/983140108.db2.gz CLSWTAFGDDDFHN-ZYHUDNBSSA-N 0 2 417.731 3.621 20 0 HHADLN O=C(Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1)c1ccc2[nH]nnc2c1 ZINC000438910484 983148384 /nfs/dbraw/zinc/14/83/84/983148384.db2.gz BGCCLJZZKUWFBL-UHFFFAOYSA-N 0 2 411.874 3.855 20 0 HHADLN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000439127864 983263853 /nfs/dbraw/zinc/26/38/53/983263853.db2.gz CCNWKPPPTJGEDO-GANBNBROSA-N 0 2 408.745 3.618 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N(CCC3CCCCC3)CC(N)=O)=N2)cc1 ZINC000439173050 983290200 /nfs/dbraw/zinc/29/02/00/983290200.db2.gz VDBXGXFSRBYVQI-UHFFFAOYSA-N 0 2 412.534 3.599 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC[C@H](c4nncn4C(C)C)C3)=N2)cc1 ZINC000439207210 983311223 /nfs/dbraw/zinc/31/12/23/983311223.db2.gz GJCUPYSEOXRBRC-SFHVURJKSA-N 0 2 422.533 3.894 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC(C(=O)OC(C)(C)C)CC3)=N2)cc1 ZINC000439257001 983335031 /nfs/dbraw/zinc/33/50/31/983335031.db2.gz IWXUCJZHWYKISM-UHFFFAOYSA-N 0 2 413.518 3.895 20 0 HHADLN Cc1ccc(N2CCC(NC(=O)c3nn(-c4ccc(C(C)C)cc4)cc3[O-])CC2)[nH+]c1 ZINC000439336776 983371068 /nfs/dbraw/zinc/37/10/68/983371068.db2.gz MLMIOMPLZFJJMC-UHFFFAOYSA-N 0 2 419.529 3.804 20 0 HHADLN CC1(C)Cc2cc(S(=O)(=O)Nc3nnc(Cc4ccccc4F)s3)ccc2O1 ZINC000439881724 983567678 /nfs/dbraw/zinc/56/76/78/983567678.db2.gz WXXQZXWGZYGERX-UHFFFAOYSA-N 0 2 419.503 3.782 20 0 HHADLN O=C(N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)[C@@H]1CCn2ccnc2C1 ZINC000439966393 983598424 /nfs/dbraw/zinc/59/84/24/983598424.db2.gz JVJOBMDHPBPDPZ-MRXNPFEDSA-N 0 2 417.494 3.817 20 0 HHADLN Cc1ccc(NS(C)(=O)=O)c(NS(=O)(=O)c2c(Cl)ccc3ccccc32)c1 ZINC000440291357 983708709 /nfs/dbraw/zinc/70/87/09/983708709.db2.gz KZPCSDOOICGQFZ-UHFFFAOYSA-N 0 2 424.931 3.974 20 0 HHADLN CC(C)c1nc2ccc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)cc2s1 ZINC000440803028 983913363 /nfs/dbraw/zinc/91/33/63/983913363.db2.gz BKNRQXLDNJAOAL-UHFFFAOYSA-N 0 2 406.533 3.769 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc(F)cc2Br)cnn1CCC(C)C ZINC000440818881 983920246 /nfs/dbraw/zinc/92/02/46/983920246.db2.gz HXFFFFLKUVAIAH-UHFFFAOYSA-N 0 2 404.305 3.940 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2OC(F)F)cc1Cl ZINC000440820785 983921720 /nfs/dbraw/zinc/92/17/20/983921720.db2.gz ZKYDEEBEQSTSEW-UHFFFAOYSA-N 0 2 405.806 3.837 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N2Cc3ccccc3C[C@H]2c2ccccc2)s[nH]1 ZINC000441055682 984046562 /nfs/dbraw/zinc/04/65/62/984046562.db2.gz XIPPFXPJJOGVET-SFHVURJKSA-N 0 2 420.538 3.522 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N2CCCCC[C@@H]2/C=C\c2ccccc2)s[nH]1 ZINC000442056843 984615024 /nfs/dbraw/zinc/61/50/24/984615024.db2.gz MVUJDCPQWHOAMP-LKBMAGLMSA-N 0 2 412.559 3.681 20 0 HHADLN CC(C)C[C@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccc(Cl)cc1 ZINC000442116608 984646518 /nfs/dbraw/zinc/64/65/18/984646518.db2.gz LOPRHFFUFMDPBV-AWEZNQCLSA-N 0 2 408.955 3.753 20 0 HHADLN CC(C)C[C@@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccc(Cl)cc1 ZINC000442116611 984646566 /nfs/dbraw/zinc/64/65/66/984646566.db2.gz LOPRHFFUFMDPBV-CQSZACIVSA-N 0 2 408.955 3.753 20 0 HHADLN O=S(=O)(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1ccc(F)c(F)c1F ZINC000442216552 984736200 /nfs/dbraw/zinc/73/62/00/984736200.db2.gz HRTGVTJSGMVCQS-HUUCEWRRSA-N 0 2 401.406 3.587 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2ccc(N3CC[NH+]=C3[O-])cc2C)cc1C(C)C ZINC000442231557 984751221 /nfs/dbraw/zinc/75/12/21/984751221.db2.gz AENUKIKSEICZDT-UHFFFAOYSA-N 0 2 417.531 3.766 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(Oc2ccccc2F)nc1 ZINC000442238925 984759677 /nfs/dbraw/zinc/75/96/77/984759677.db2.gz BUVLOUWGLBLOIR-UHFFFAOYSA-N 0 2 416.430 3.991 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)Nc2ccc3c(c2)C(C)(C)CC3(C)C)s[nH]1 ZINC000442252920 984774400 /nfs/dbraw/zinc/77/44/00/984774400.db2.gz GQOLSMODDBAVIM-UHFFFAOYSA-N 0 2 400.548 3.794 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccccc1OCC(F)(F)F ZINC000442337995 984842895 /nfs/dbraw/zinc/84/28/95/984842895.db2.gz WZFBKNRPYFUJJS-UHFFFAOYSA-N 0 2 403.378 3.605 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N2CCCCC[C@H]2/C=C\c2cccs2)s[nH]1 ZINC000442484767 984987270 /nfs/dbraw/zinc/98/72/70/984987270.db2.gz XLFUNOLEBXIQLS-BMSUMIBZSA-N 0 2 418.588 3.742 20 0 HHADLN O=S(=O)(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1cnccc1C(F)(F)F ZINC000442821052 985228175 /nfs/dbraw/zinc/22/81/75/985228175.db2.gz UHYJOFPQCICBFS-JKSUJKDBSA-N 0 2 416.421 3.584 20 0 HHADLN COC(=O)CCSc1cccc(NS(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000442825746 985230084 /nfs/dbraw/zinc/23/00/84/985230084.db2.gz IBKDJTDQLILFGM-UHFFFAOYSA-N 0 2 420.434 3.556 20 0 HHADLN O=C(Nc1cccc(NS(=O)(=O)c2cnccc2C(F)(F)F)c1)c1ccoc1 ZINC000442830705 985234155 /nfs/dbraw/zinc/23/41/55/985234155.db2.gz ZWCMJQXUSLYHBJ-UHFFFAOYSA-N 0 2 411.361 3.747 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cnn(-c2cc(C)ccc2C)c1C ZINC000442836923 985238058 /nfs/dbraw/zinc/23/80/58/985238058.db2.gz IZUVQLZQORFTQY-UHFFFAOYSA-N 0 2 419.528 3.755 20 0 HHADLN C[C@@H](c1cccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000462255932 985241473 /nfs/dbraw/zinc/24/14/73/985241473.db2.gz RXJWQRYXJHRFEW-JXALWOEJSA-N 0 2 422.573 3.722 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@@H+]([C@@H](C)C(C)C)C3)cc1 ZINC000462382366 985365740 /nfs/dbraw/zinc/36/57/40/985365740.db2.gz ZOGUAZQGIDPAFD-HNNXBMFYSA-N 0 2 402.516 3.634 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)cc1 ZINC000462382366 985365747 /nfs/dbraw/zinc/36/57/47/985365747.db2.gz ZOGUAZQGIDPAFD-HNNXBMFYSA-N 0 2 402.516 3.634 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc2c(ccc(F)c2F)s1 ZINC000443158952 985415657 /nfs/dbraw/zinc/41/56/57/985415657.db2.gz QMRVHVYJMDIIAD-UHFFFAOYSA-N 0 2 404.441 3.532 20 0 HHADLN COCCc1ccc(S(=O)(=O)Nc2nnc(-c3cc4cc(C)ccc4o3)o2)cc1 ZINC000443161040 985417241 /nfs/dbraw/zinc/41/72/41/985417241.db2.gz RBELMJCCOKVPJN-UHFFFAOYSA-N 0 2 413.455 3.781 20 0 HHADLN CCc1ccccc1CC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443271854 985464596 /nfs/dbraw/zinc/46/45/96/985464596.db2.gz JMSVOBMUMGTXNX-UHFFFAOYSA-N 0 2 401.513 3.688 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)c2c(F)cccc2F)c(F)c1Cl ZINC000462543795 985491891 /nfs/dbraw/zinc/49/18/91/985491891.db2.gz LTWYZYZXORMVTM-SSDOTTSWSA-N 0 2 424.803 3.894 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2ccc(OCC(=O)OC)c3ccccc23)s1 ZINC000467920389 985553185 /nfs/dbraw/zinc/55/31/85/985553185.db2.gz RCCZJUKRFKDBQW-UHFFFAOYSA-N 0 2 405.497 3.816 20 0 HHADLN C[C@@H]1CCC[C@@H](OCc2cccc(NS(=O)(=O)c3cnn([C@@H]4CCOC4)c3)c2)C1 ZINC000443450960 985618847 /nfs/dbraw/zinc/61/88/47/985618847.db2.gz BWIMPKGMPGEFLV-NSISKUIASA-N 0 2 419.547 3.741 20 0 HHADLN COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000443459389 985631828 /nfs/dbraw/zinc/63/18/28/985631828.db2.gz DUOVEHHTIGNRQQ-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc2n[nH]cc2c(C)c1 ZINC000468349398 986045745 /nfs/dbraw/zinc/04/57/45/986045745.db2.gz ZKBJJTOPNFSVGK-LBPRGKRZSA-N 0 2 409.895 3.739 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000468363768 986062066 /nfs/dbraw/zinc/06/20/66/986062066.db2.gz GWQYMFFHPDFJKE-UHFFFAOYSA-N 0 2 406.435 3.670 20 0 HHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000463116197 986079944 /nfs/dbraw/zinc/07/99/44/986079944.db2.gz OXPHBEJXHFRLBO-JTQLQIEISA-N 0 2 401.196 3.969 20 0 HHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000463116821 986081110 /nfs/dbraw/zinc/08/11/10/986081110.db2.gz SEJVXWDIYDMDKA-QMMMGPOBSA-N 0 2 401.196 3.969 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000468386235 986086631 /nfs/dbraw/zinc/08/66/31/986086631.db2.gz ZBZXXFHRGVDXKE-UHFFFAOYSA-N 0 2 418.446 3.839 20 0 HHADLN CN1C(=O)CCc2cc(C(=O)Nc3nc(-c4cc(Cl)ccc4Cl)n[nH]3)ccc21 ZINC000463160416 986132773 /nfs/dbraw/zinc/13/27/73/986132773.db2.gz JLQDKNMKAKSDFA-UHFFFAOYSA-N 0 2 416.268 3.940 20 0 HHADLN CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463161278 986133660 /nfs/dbraw/zinc/13/36/60/986133660.db2.gz MLCWDJHNIBAKIT-CQSZACIVSA-N 0 2 410.305 3.754 20 0 HHADLN COC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c1C ZINC000463162134 986134341 /nfs/dbraw/zinc/13/43/41/986134341.db2.gz PFNFIIWZVCUARP-UHFFFAOYSA-N 0 2 408.245 3.762 20 0 HHADLN O=C(CCNC(=O)c1cccs1)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463164809 986136231 /nfs/dbraw/zinc/13/62/31/986136231.db2.gz VCWPAOSLKNXTCY-UHFFFAOYSA-N 0 2 410.286 3.599 20 0 HHADLN COc1ccc(OC)c(CC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c1 ZINC000463168782 986140674 /nfs/dbraw/zinc/14/06/74/986140674.db2.gz ZAUUTAAHSJQZKP-UHFFFAOYSA-N 0 2 407.257 3.977 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1ccn(-c2ccc(F)cc2)n1 ZINC000463173740 986145858 /nfs/dbraw/zinc/14/58/58/986145858.db2.gz VBOQDEXHLISYGH-UHFFFAOYSA-N 0 2 417.231 4.356 20 0 HHADLN CNC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)cc1 ZINC000468522150 986226818 /nfs/dbraw/zinc/22/68/18/986226818.db2.gz HBNKADVFCCGGMJ-UHFFFAOYSA-N 0 2 408.907 3.679 20 0 HHADLN O=S(=O)(Nc1nc(Cc2ccccc2)cs1)c1cnc(-c2ccccc2)nc1 ZINC000444049110 986247574 /nfs/dbraw/zinc/24/75/74/986247574.db2.gz DQWXUADCKVNGEA-UHFFFAOYSA-N 0 2 408.508 3.992 20 0 HHADLN COCCc1nc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)ccc2o1 ZINC000444049948 986248422 /nfs/dbraw/zinc/24/84/22/986248422.db2.gz GTAGSQSGJJEOHW-UHFFFAOYSA-N 0 2 418.368 3.975 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2c(F)cccc2Cl)cn1)c1ccccc1 ZINC000444056600 986256821 /nfs/dbraw/zinc/25/68/21/986256821.db2.gz QRFAQEWPACBYAY-UHFFFAOYSA-N 0 2 405.838 3.927 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3ccccc3SC)s2)c1 ZINC000444059208 986261059 /nfs/dbraw/zinc/26/10/59/986261059.db2.gz PYLLPAFVVHWKPT-UHFFFAOYSA-N 0 2 407.542 3.660 20 0 HHADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)n1 ZINC000444063949 986266254 /nfs/dbraw/zinc/26/62/54/986266254.db2.gz SSSJUPSUIXZVQE-UHFFFAOYSA-N 0 2 423.438 3.956 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC(C(=O)N4CCCCC4)CC3)=N2)cc1 ZINC000468609091 986322724 /nfs/dbraw/zinc/32/27/24/986322724.db2.gz NNDIHDIBDPOLFJ-UHFFFAOYSA-N 0 2 424.545 3.566 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NCc3cc(=O)[nH]c4ccccc34)=N2)cc1 ZINC000468620457 986336091 /nfs/dbraw/zinc/33/60/91/986336091.db2.gz UANCVBKRADLWRU-UHFFFAOYSA-N 0 2 402.454 3.885 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nccc(-c3ccco3)n2)sc1Br ZINC000463370991 986336428 /nfs/dbraw/zinc/33/64/28/986336428.db2.gz WCYPHBPPDIWSOQ-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cc(O)ccc2C(=O)OC)c2ccccc12 ZINC000463381807 986348955 /nfs/dbraw/zinc/34/89/55/986348955.db2.gz PKZBIUPFMHETPG-UHFFFAOYSA-N 0 2 401.440 3.532 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)=N1 ZINC000468673220 986381888 /nfs/dbraw/zinc/38/18/88/986381888.db2.gz NPXRKIACRZVIHF-LJQANCHMSA-N 0 2 408.477 3.766 20 0 HHADLN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1cn(C)nc1C(F)(F)F ZINC000463440524 986417812 /nfs/dbraw/zinc/41/78/12/986417812.db2.gz FUVCMDQMGFVEGS-UHFFFAOYSA-N 0 2 412.231 3.619 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C)Cc2nc3c(s2)CCCC3)=N1 ZINC000468747685 986461525 /nfs/dbraw/zinc/46/15/25/986461525.db2.gz ZBLQYTIKOVLCLE-UHFFFAOYSA-N 0 2 400.479 3.633 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ncc(-c3ccc(C)cc3C)s2)c(C)o1 ZINC000468823701 986532157 /nfs/dbraw/zinc/53/21/57/986532157.db2.gz FNLRBINTIKNPSV-UHFFFAOYSA-N 0 2 406.485 3.916 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N1CCC[C@H]2CCC[C@@H]21 ZINC000444396625 986574696 /nfs/dbraw/zinc/57/46/96/986574696.db2.gz NQFHIGBUVRSCOM-CJNGLKHVSA-N 0 2 406.533 3.740 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000463654358 986633152 /nfs/dbraw/zinc/63/31/52/986633152.db2.gz HUVTWOBZGOAGET-FQEVSTJZSA-N 0 2 414.556 3.538 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)c1 ZINC000468984709 986690931 /nfs/dbraw/zinc/69/09/31/986690931.db2.gz PKSRKMZRCNBTDT-UHFFFAOYSA-N 0 2 417.468 3.769 20 0 HHADLN Cc1ccc(-c2cnc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)s2)c(C)c1 ZINC000469057742 986769168 /nfs/dbraw/zinc/76/91/68/986769168.db2.gz XEWKXTRJDWPBNZ-UHFFFAOYSA-N 0 2 418.544 3.776 20 0 HHADLN Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000463780269 986770945 /nfs/dbraw/zinc/77/09/45/986770945.db2.gz XBGJTJLNURFXMF-UHFFFAOYSA-N 0 2 403.847 3.599 20 0 HHADLN COc1cc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)ccc1OC(C)C ZINC000463787845 986779134 /nfs/dbraw/zinc/77/91/34/986779134.db2.gz LJXGBXWJFVLUMY-UHFFFAOYSA-N 0 2 405.451 3.608 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000444738549 986907603 /nfs/dbraw/zinc/90/76/03/986907603.db2.gz UBXBSJHIMMYTSE-UHFFFAOYSA-N 0 2 408.380 3.850 20 0 HHADLN NC(=O)[C@H]1CCC[C@H](C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)C1 ZINC000469378192 987074541 /nfs/dbraw/zinc/07/45/41/987074541.db2.gz BWYRXOJOYQFHLI-HOCLYGCPSA-N 0 2 422.510 3.650 20 0 HHADLN Cc1nc2sccn2c1CN(C)C(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O ZINC000469705909 987363022 /nfs/dbraw/zinc/36/30/22/987363022.db2.gz PBYFIMCZBJRJMZ-UHFFFAOYSA-N 0 2 409.515 3.991 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCO[C@@H](c4cccc(O)c4)C3)=N2)c1 ZINC000469893206 987530479 /nfs/dbraw/zinc/53/04/79/987530479.db2.gz MMXYPVNHGWKRMB-OAQYLSRUSA-N 0 2 407.470 3.621 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Br)s3)[nH]n2)cc1 ZINC000469986365 987602071 /nfs/dbraw/zinc/60/20/71/987602071.db2.gz YHODPWLOKMZIPP-UHFFFAOYSA-N 0 2 414.306 3.710 20 0 HHADLN CCc1cccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2)c1 ZINC000464426919 988598891 /nfs/dbraw/zinc/59/88/91/988598891.db2.gz OCPLYLBANKJSMR-UHFFFAOYSA-N 0 2 416.524 3.851 20 0 HHADLN CCOc1c(Cl)cc(NS(=O)(=O)c2cc(C(=O)OC)oc2C)cc1Cl ZINC000464530730 988708395 /nfs/dbraw/zinc/70/83/95/988708395.db2.gz UHHCEMNHVHNJRM-UHFFFAOYSA-N 0 2 408.259 3.881 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(-c3ccccc3C)nn2C)c1 ZINC000470783319 988836579 /nfs/dbraw/zinc/83/65/79/988836579.db2.gz KFLOMCURGTWQCA-UHFFFAOYSA-N 0 2 419.890 3.636 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc2c(ccc(F)c2C)s1 ZINC000464897019 989167529 /nfs/dbraw/zinc/16/75/29/989167529.db2.gz VLMJJSJRIIXKKF-UHFFFAOYSA-N 0 2 409.464 3.512 20 0 HHADLN COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1ccccc1SC(C)C ZINC000471127883 989236263 /nfs/dbraw/zinc/23/62/63/989236263.db2.gz UECYWHJSYYLRLN-UHFFFAOYSA-N 0 2 408.545 3.633 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)C1=CCOCC1 ZINC000471415278 989593258 /nfs/dbraw/zinc/59/32/58/989593258.db2.gz IUKMTLOTYPDUIP-UHFFFAOYSA-N 0 2 410.854 3.565 20 0 HHADLN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000471495430 989692952 /nfs/dbraw/zinc/69/29/52/989692952.db2.gz GWGVYUGPXRSKKC-UHFFFAOYSA-N 0 2 416.933 3.544 20 0 HHADLN CC(C)(c1nnc(NS(=O)(=O)c2ccc3c(c2)COC3)s1)c1ccccc1 ZINC000471500468 989698016 /nfs/dbraw/zinc/69/80/16/989698016.db2.gz MFTZUYHMJBUGJN-UHFFFAOYSA-N 0 2 401.513 3.695 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccco2)s1)c1ccc(OC(F)F)c(Cl)c1 ZINC000471509025 989707112 /nfs/dbraw/zinc/70/71/12/989707112.db2.gz TYKOFWUXWQMQSL-UHFFFAOYSA-N 0 2 407.807 3.854 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1cccc(Br)c1 ZINC000471510326 989709025 /nfs/dbraw/zinc/70/90/25/989709025.db2.gz KAQYTGMGZPLQDR-UHFFFAOYSA-N 0 2 402.320 3.830 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1ccccc1OC(F)(F)F ZINC000471517492 989716930 /nfs/dbraw/zinc/71/69/30/989716930.db2.gz CCAYMPIGUKRVFU-UHFFFAOYSA-N 0 2 407.420 3.966 20 0 HHADLN CCCCc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)[nH]n1 ZINC000471517870 989716961 /nfs/dbraw/zinc/71/69/61/989716961.db2.gz IOHJMIXXGXUENB-UHFFFAOYSA-N 0 2 416.478 3.945 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3ccco3)s2)c(C)cc1Br ZINC000471519743 989719430 /nfs/dbraw/zinc/71/94/30/989719430.db2.gz KPCBXKMENWKQDR-UHFFFAOYSA-N 0 2 414.306 3.978 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)c1 ZINC000471525856 989725594 /nfs/dbraw/zinc/72/55/94/989725594.db2.gz MIJPXCMVYOCFTO-UHFFFAOYSA-N 0 2 419.528 3.682 20 0 HHADLN O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cc(Cl)c(Br)cc1F ZINC000471621410 989826858 /nfs/dbraw/zinc/82/68/58/989826858.db2.gz SNERGVSDANAYMQ-UHFFFAOYSA-N 0 2 422.659 3.814 20 0 HHADLN COCCOc1ccc(C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)c(Cl)c1 ZINC000471851778 990025387 /nfs/dbraw/zinc/02/53/87/990025387.db2.gz RRDOWISBAINLNP-UHFFFAOYSA-N 0 2 419.890 3.567 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 ZINC000471913119 990080797 /nfs/dbraw/zinc/08/07/97/990080797.db2.gz YTAFKWDGIXCDFH-UHFFFAOYSA-N 0 2 401.879 3.901 20 0 HHADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccccc2Br)n1 ZINC000471944957 990109599 /nfs/dbraw/zinc/10/95/99/990109599.db2.gz UKXUGEDAYBTCCK-UHFFFAOYSA-N 0 2 416.347 3.560 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccc(C(=O)c2ccccc2)c1 ZINC000466291176 991540793 /nfs/dbraw/zinc/54/07/93/991540793.db2.gz TVZGFCUBDNMSBA-UHFFFAOYSA-N 0 2 413.426 3.644 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cccc(F)c2C(=O)OC)c(C(F)(F)F)c1 ZINC000466351016 991613330 /nfs/dbraw/zinc/61/33/30/991613330.db2.gz ZLGLTJBBOGCOSV-UHFFFAOYSA-N 0 2 421.368 3.831 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cnccc1Oc1ccccc1 ZINC000466364260 991636454 /nfs/dbraw/zinc/63/64/54/991636454.db2.gz JVFOMGSMIGXCDT-UHFFFAOYSA-N 0 2 402.403 3.600 20 0 HHADLN Cc1ccc(-n2cc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)cn2)c(C)c1 ZINC000466406449 991700788 /nfs/dbraw/zinc/70/07/88/991700788.db2.gz WYVABKRYZQUOSO-UHFFFAOYSA-N 0 2 411.462 3.615 20 0 HHADLN Cc1ccc(-n2cc(NS(=O)(=O)c3cnn(Cc4ccccc4)c3)cn2)c(C)c1 ZINC000466408695 991702950 /nfs/dbraw/zinc/70/29/50/991702950.db2.gz HIPJQKHIHFQKOO-UHFFFAOYSA-N 0 2 407.499 3.535 20 0 HHADLN Cc1cc(C(F)(F)F)ccc1CNC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000466882267 992203351 /nfs/dbraw/zinc/20/33/51/992203351.db2.gz LMGSORUGFUFKTK-UHFFFAOYSA-N 0 2 419.407 3.710 20 0 HHADLN Cc1ccc(-n2cc(NC(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)cn2)c(C)c1 ZINC000466922137 992235221 /nfs/dbraw/zinc/23/52/21/992235221.db2.gz UNFWYBFGIILQIJ-UHFFFAOYSA-N 0 2 408.487 3.863 20 0 HHADLN CC(C)(C)c1cnc(NS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)s1 ZINC000467016164 992323608 /nfs/dbraw/zinc/32/36/08/992323608.db2.gz KCMXSPYIPCRDID-GFCCVEGCSA-N 0 2 414.524 3.796 20 0 HHADLN CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(OCCC(C)C)cc2)s1 ZINC000467076940 992383075 /nfs/dbraw/zinc/38/30/75/992383075.db2.gz ZHSYCNOLHJYNAJ-UHFFFAOYSA-N 0 2 410.561 3.652 20 0 HHADLN CCOc1ccc(OCC)c(NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000467103433 992411469 /nfs/dbraw/zinc/41/14/69/992411469.db2.gz UIJVJMPLIJHMTH-UHFFFAOYSA-N 0 2 402.476 3.858 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000467429340 992728640 /nfs/dbraw/zinc/72/86/40/992728640.db2.gz WRMHRLKDUMUQRW-DLBZAZTESA-N 0 2 417.487 3.825 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000472182072 993223581 /nfs/dbraw/zinc/22/35/81/993223581.db2.gz LHQISRFJGRIOET-FUHWJXTLSA-N 0 2 409.465 3.658 20 0 HHADLN CCC(C)(C)c1ccc(S(=O)(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000472688010 993608689 /nfs/dbraw/zinc/60/86/89/993608689.db2.gz CWNSRSVGXPRBMP-UHFFFAOYSA-N 0 2 414.531 3.550 20 0 HHADLN CCNc1cc(C)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000480792892 993661386 /nfs/dbraw/zinc/66/13/86/993661386.db2.gz CHTQQRZRVOCKSP-UHFFFAOYSA-N 0 2 416.528 3.936 20 0 HHADLN O=C(NC1CCC(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)CC1)C1CC1 ZINC000480932424 993782108 /nfs/dbraw/zinc/78/21/08/993782108.db2.gz JBDZMZULNXJIEG-UHFFFAOYSA-N 0 2 422.316 3.802 20 0 HHADLN Cn1ccc2cccc(NC(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)c21 ZINC000472926084 993853927 /nfs/dbraw/zinc/85/39/27/993853927.db2.gz JZEQEDOEQSDFEI-UHFFFAOYSA-N 0 2 412.496 3.688 20 0 HHADLN Cc1cc(F)c(Br)cc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000473423984 994276617 /nfs/dbraw/zinc/27/66/17/994276617.db2.gz WUSOIVLXLJUDPT-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cnn(CC(C)C)c3)cc2c1C ZINC000473484247 994327836 /nfs/dbraw/zinc/32/78/36/994327836.db2.gz QBHYYAKIFIPCNJ-UHFFFAOYSA-N 0 2 405.476 3.571 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(F)cc1C(F)(F)F ZINC000473663011 994550640 /nfs/dbraw/zinc/55/06/40/994550640.db2.gz KARKCVOWNPRQAL-UHFFFAOYSA-N 0 2 409.343 3.863 20 0 HHADLN Cc1ccc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1OCC(F)F ZINC000473672638 994561878 /nfs/dbraw/zinc/56/18/78/994561878.db2.gz BRBRLECMZOMBBV-UHFFFAOYSA-N 0 2 417.416 3.658 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(OC2CCC2)c(F)c1 ZINC000473718351 994610884 /nfs/dbraw/zinc/61/08/84/994610884.db2.gz ZNICLCVDWQRKIN-UHFFFAOYSA-N 0 2 411.437 3.776 20 0 HHADLN CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2nnc(/C=C\c3ccco3)s2)c1 ZINC000473754859 994664337 /nfs/dbraw/zinc/66/43/37/994664337.db2.gz BDUNDMYUMZHHJR-HJWRWDBZSA-N 0 2 419.484 3.587 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c1 ZINC000473758061 994669220 /nfs/dbraw/zinc/66/92/20/994669220.db2.gz XZNMCCKPGRGORS-UHFFFAOYSA-N 0 2 417.228 3.734 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3nnc(C(F)F)s3)cc2c1C ZINC000473758932 994670171 /nfs/dbraw/zinc/67/01/71/994670171.db2.gz DJFJDNALXAUPEA-UHFFFAOYSA-N 0 2 417.415 3.508 20 0 HHADLN Cc1cc2c(cc1S(=O)(=O)Nc1nnc(-c3ccccc3Cl)s1)OCO2 ZINC000481819937 994670584 /nfs/dbraw/zinc/67/05/84/994670584.db2.gz XFFDGZWASIMPDH-UHFFFAOYSA-N 0 2 409.876 3.696 20 0 HHADLN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)cn2)cc1 ZINC000481862567 994722140 /nfs/dbraw/zinc/72/21/40/994722140.db2.gz GACXLJKVIPWWQA-UHFFFAOYSA-N 0 2 423.494 3.973 20 0 HHADLN Cc1ccc(-c2noc([C@H](C)NC(=O)N=c3nc(C(C)(C)C)[nH]s3)n2)cc1F ZINC000473798024 994723158 /nfs/dbraw/zinc/72/31/58/994723158.db2.gz CFMVKHHKLRXNRT-JTQLQIEISA-N 0 2 404.471 3.638 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3nc4cc(F)c(C)cc4s3)cc21 ZINC000481875973 994740192 /nfs/dbraw/zinc/74/01/92/994740192.db2.gz RIOOMQFHYHEUDF-UHFFFAOYSA-N 0 2 419.503 3.844 20 0 HHADLN CCc1cc(Br)cc2sc(NS(=O)(=O)c3ccnn3CC)nc21 ZINC000481877015 994742224 /nfs/dbraw/zinc/74/22/24/994742224.db2.gz VYQYGJQXXNVTBB-UHFFFAOYSA-N 0 2 415.338 3.638 20 0 HHADLN COc1cc(Cl)c(S(=O)(=O)Nc2ncc(-c3ccccc3)cn2)cc1OC ZINC000481877783 994742853 /nfs/dbraw/zinc/74/28/53/994742853.db2.gz ZLFJFVKKZQFCGU-UHFFFAOYSA-N 0 2 405.863 3.615 20 0 HHADLN CC(C)C[C@H](C)n1nccc1NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000481898872 994769703 /nfs/dbraw/zinc/76/97/03/994769703.db2.gz KOMPCSUDCGXMPF-LBPRGKRZSA-N 0 2 406.430 3.627 20 0 HHADLN Cc1ccsc1-c1nc(=NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)s[n-]1 ZINC000473836463 994769663 /nfs/dbraw/zinc/76/96/63/994769663.db2.gz NVWHHKCKGNAWCX-CQSZACIVSA-N 0 2 417.560 3.939 20 0 HHADLN COC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 ZINC000481927049 994798827 /nfs/dbraw/zinc/79/88/27/994798827.db2.gz XLWABJNISPQVAZ-UHFFFAOYSA-N 0 2 416.908 3.564 20 0 HHADLN Cc1ccc2cccnc2c1S(=O)(=O)[N-]c1ccccc1OCCn1cc[nH+]c1 ZINC000481992281 994892979 /nfs/dbraw/zinc/89/29/79/994892979.db2.gz UGAASTYJVHTUTB-UHFFFAOYSA-N 0 2 408.483 3.620 20 0 HHADLN CC1(C)CC[C@H](NC(=O)NCc2nnc(COc3ccccc3)[nH]2)c2ccccc21 ZINC000473936859 994911170 /nfs/dbraw/zinc/91/11/70/994911170.db2.gz BAJZCLNBONLUQH-IBGZPJMESA-N 0 2 405.502 3.996 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000473948758 994926353 /nfs/dbraw/zinc/92/63/53/994926353.db2.gz KXSPIOHPGMFSOJ-OAQYLSRUSA-N 0 2 409.465 3.863 20 0 HHADLN C[C@H]1CCCc2ccccc2[C@H]1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474001549 994991263 /nfs/dbraw/zinc/99/12/63/994991263.db2.gz SDQZFYVXGYOROA-AOMKIAJQSA-N 0 2 405.502 3.897 20 0 HHADLN CCCN(CCc1cccc(F)c1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474087480 995069922 /nfs/dbraw/zinc/06/99/22/995069922.db2.gz FBSMCASKGTXKMW-UHFFFAOYSA-N 0 2 411.481 3.687 20 0 HHADLN CCO[C@@H]1C[C@@H](N(C)C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1(CC)CC ZINC000474089877 995072323 /nfs/dbraw/zinc/07/23/23/995072323.db2.gz PETXIRJLPINOEW-QZTJIDSGSA-N 0 2 415.538 3.509 20 0 HHADLN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C2CC2)o1 ZINC000474096443 995077841 /nfs/dbraw/zinc/07/78/41/995077841.db2.gz OWTBKVCQBVPPLO-BEFAXECRSA-N 0 2 421.501 3.974 20 0 HHADLN CCCc1cc(NS(=O)(=O)c2cc(Cl)c(OC)cc2Br)[nH]n1 ZINC000474428260 995391524 /nfs/dbraw/zinc/39/15/24/995391524.db2.gz RLJSOUUGXIEWRZ-UHFFFAOYSA-N 0 2 408.705 3.588 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@@H](OC1CCCC1)c1ccccc1 ZINC000474571750 995533706 /nfs/dbraw/zinc/53/37/06/995533706.db2.gz AXGCZTGWWTXOPR-QFIPXVFZSA-N 0 2 406.486 3.700 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccc(COc2ccccc2)cc1 ZINC000474576971 995538603 /nfs/dbraw/zinc/53/86/03/995538603.db2.gz NBJVFYVYYBVPIW-UHFFFAOYSA-N 0 2 414.465 3.893 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cccc(Br)c1Cl ZINC000474582088 995542009 /nfs/dbraw/zinc/54/20/09/995542009.db2.gz WKRFMNOXCJNNGQ-UHFFFAOYSA-N 0 2 421.682 3.730 20 0 HHADLN C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474590882 995548984 /nfs/dbraw/zinc/54/89/84/995548984.db2.gz BLHBRSMLWLCJQA-CYBMUJFWSA-N 0 2 402.907 3.834 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(-c3nc(C(C)(C)OC)no3)ccc2F)cc1 ZINC000482543334 995552008 /nfs/dbraw/zinc/55/20/08/995552008.db2.gz LZAZGGUGJBSJEF-UHFFFAOYSA-N 0 2 421.450 3.567 20 0 HHADLN CC[C@H](Oc1ccccc1C(C)C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474594632 995553265 /nfs/dbraw/zinc/55/32/65/995553265.db2.gz WQIOIQJSMAOHDG-IBGZPJMESA-N 0 2 408.502 3.981 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccc(COc2ccc(F)cc2)o1 ZINC000474597481 995555964 /nfs/dbraw/zinc/55/59/64/995555964.db2.gz WYQANFSMZRKNLS-UHFFFAOYSA-N 0 2 422.416 3.625 20 0 HHADLN Cc1ccc(-c2nc3cc(F)ccc3n2C(C)C)cc1NC(=O)NCc1n[nH]c(=O)[nH]1 ZINC000474610469 995564546 /nfs/dbraw/zinc/56/45/46/995564546.db2.gz BUVZZHZTTOSWLS-UHFFFAOYSA-N 0 2 423.452 3.877 20 0 HHADLN Cn1ncc2c1[nH]cc(C(=O)N1CCSC[C@@H]1c1cccc(C(F)(F)F)c1)c2=O ZINC000474654562 995599778 /nfs/dbraw/zinc/59/97/78/995599778.db2.gz XCISCGQLSQRCJS-OAHLLOKOSA-N 0 2 422.432 3.623 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@H](c1ccccc1)c1ccccn1 ZINC000482636142 995631024 /nfs/dbraw/zinc/63/10/24/995631024.db2.gz ZAWOIFCOVHNAAD-GOSISDBHSA-N 0 2 405.483 3.723 20 0 HHADLN Cc1ccc(-n2cccn2)cc1NC(=O)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000475158240 995959436 /nfs/dbraw/zinc/95/94/36/995959436.db2.gz UERAIXALZRLMEB-UHFFFAOYSA-N 0 2 405.241 3.770 20 0 HHADLN Cn1ccnc1C(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000483720384 996348533 /nfs/dbraw/zinc/34/85/33/996348533.db2.gz BKDZQSREPSPKDU-UHFFFAOYSA-N 0 2 410.282 3.759 20 0 HHADLN Cn1ccnc1C(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000483761857 996371394 /nfs/dbraw/zinc/37/13/94/996371394.db2.gz MFHFTKBWABAWON-UHFFFAOYSA-N 0 2 416.311 3.820 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc(-c2cccnc2)ccc1C ZINC000475821469 996392858 /nfs/dbraw/zinc/39/28/58/996392858.db2.gz YWVTZDWVBHULHZ-UHFFFAOYSA-N 0 2 400.431 3.784 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)c1C ZINC000475830058 996398989 /nfs/dbraw/zinc/39/89/89/996398989.db2.gz MYNZBMHXBFBOKC-UHFFFAOYSA-N 0 2 413.368 3.941 20 0 HHADLN COc1cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc(OC)c1C(C)C ZINC000484034318 996533444 /nfs/dbraw/zinc/53/34/44/996533444.db2.gz OGUMUZFPRKFSMO-UHFFFAOYSA-N 0 2 401.488 3.814 20 0 HHADLN CCOC(=O)c1cccc(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC000484111368 996576162 /nfs/dbraw/zinc/57/61/62/996576162.db2.gz RCUWNSHLOHECLJ-UHFFFAOYSA-N 0 2 422.466 3.602 20 0 HHADLN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2csc3ccccc23)cc1 ZINC000484116905 996579215 /nfs/dbraw/zinc/57/92/15/996579215.db2.gz PBTHWTMTORMQBP-UHFFFAOYSA-N 0 2 424.569 3.733 20 0 HHADLN COc1cc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc(OC)c1C(C)C ZINC000484139183 996593165 /nfs/dbraw/zinc/59/31/65/996593165.db2.gz JBIILKWRJYYJAC-UHFFFAOYSA-N 0 2 415.515 3.873 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cc2[nH]ccc2s1 ZINC000476243165 996701774 /nfs/dbraw/zinc/70/17/74/996701774.db2.gz BDDNGWFIPIENGE-UHFFFAOYSA-N 0 2 404.498 3.739 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cccc3cccnc32)cc1Br ZINC000476254594 996709171 /nfs/dbraw/zinc/70/91/71/996709171.db2.gz GOKIPTUSBOFWBQ-UHFFFAOYSA-N 0 2 423.288 3.815 20 0 HHADLN CCc1ccc([C@@H]2CN(C(=O)N=c3nc(-c4cccc(OC)c4)[nH]s3)CCO2)cc1 ZINC000484344012 996716127 /nfs/dbraw/zinc/71/61/27/996716127.db2.gz WRVXRHQIHCTEHE-IBGZPJMESA-N 0 2 424.526 3.803 20 0 HHADLN COc1ccc(C)cc1NS(=O)(=O)c1cc(Br)c(OC)cc1OC ZINC000476276109 996724922 /nfs/dbraw/zinc/72/49/22/996724922.db2.gz TZSNETWANRTXRE-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)COc3ccc(C(F)(F)F)cc3)s[nH]2)c1 ZINC000476363576 996794133 /nfs/dbraw/zinc/79/41/33/996794133.db2.gz KQDGAWCJSWJTRR-UHFFFAOYSA-N 0 2 409.389 3.672 20 0 HHADLN CCOc1ccc(Br)cc1NS(=O)(=O)c1ccccc1COC ZINC000484519479 996850581 /nfs/dbraw/zinc/85/05/81/996850581.db2.gz YUVPPWUHZLLOJA-UHFFFAOYSA-N 0 2 400.294 3.795 20 0 HHADLN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)c(F)c1 ZINC000476401702 996860369 /nfs/dbraw/zinc/86/03/69/996860369.db2.gz BONIUNYNQYMTJU-LLVKDONJSA-N 0 2 423.466 3.713 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccs2)o1)c1cc(F)c(Br)cc1F ZINC000476421088 996887183 /nfs/dbraw/zinc/88/71/83/996887183.db2.gz GHIYJTAOYSNIKI-UHFFFAOYSA-N 0 2 422.232 3.640 20 0 HHADLN CN(Cc1cccc(Cl)c1)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476433803 996904335 /nfs/dbraw/zinc/90/43/35/996904335.db2.gz HUWFCUUOYDBKDO-UHFFFAOYSA-N 0 2 421.931 3.870 20 0 HHADLN CC(C)[C@@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000476531695 997020796 /nfs/dbraw/zinc/02/07/96/997020796.db2.gz HKRZAWUHIYFBGM-CVEARBPZSA-N 0 2 407.561 3.889 20 0 HHADLN Cc1ccc(S(=O)(=O)C2(C(=O)Nc3ccc(-n4cccn4)cc3)CCCC2)cc1 ZINC000484709704 997048831 /nfs/dbraw/zinc/04/88/31/997048831.db2.gz WECDGRFXSCQPNM-UHFFFAOYSA-N 0 2 409.511 3.906 20 0 HHADLN O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476684361 997224280 /nfs/dbraw/zinc/22/42/80/997224280.db2.gz FFNLITDLLHCPFT-FVQBIDKESA-N 0 2 405.545 3.643 20 0 HHADLN C[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)Cc1cccs1 ZINC000476685771 997226160 /nfs/dbraw/zinc/22/61/60/997226160.db2.gz FYJHCEZZCXTCDI-ZDUSSCGKSA-N 0 2 421.569 3.614 20 0 HHADLN Cc1ccc(CC[C@@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 ZINC000476688952 997228525 /nfs/dbraw/zinc/22/85/25/997228525.db2.gz PGZMCWVTPRDNQI-CYBMUJFWSA-N 0 2 419.528 3.596 20 0 HHADLN COc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476710379 997250909 /nfs/dbraw/zinc/25/09/09/997250909.db2.gz AZHXNDFCHSENNE-UHFFFAOYSA-N 0 2 423.903 3.858 20 0 HHADLN CCCCN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476719761 997265676 /nfs/dbraw/zinc/26/56/76/997265676.db2.gz DQGFUEUKOORCFZ-UHFFFAOYSA-N 0 2 421.466 3.749 20 0 HHADLN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476742380 997294221 /nfs/dbraw/zinc/29/42/21/997294221.db2.gz GMYPUDRYWWYLPF-ZDUSSCGKSA-N 0 2 419.503 3.916 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCC[C@H]1C1CCCC1 ZINC000476744421 997297124 /nfs/dbraw/zinc/29/71/24/997297124.db2.gz IVYOLCBNLKFZFE-KRWDZBQOSA-N 0 2 405.545 3.739 20 0 HHADLN CCN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1CCCC[C@@H]1C ZINC000476750210 997305513 /nfs/dbraw/zinc/30/55/13/997305513.db2.gz WEXHVCPTQPJZNB-YOEHRIQHSA-N 0 2 407.561 3.985 20 0 HHADLN Cc1ccc(CCNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)c1 ZINC000476767965 997325980 /nfs/dbraw/zinc/32/59/80/997325980.db2.gz VPVKOUUMHLAPHB-UHFFFAOYSA-N 0 2 415.540 3.533 20 0 HHADLN O=C(NCCC1=CCCCC1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485036480 997401300 /nfs/dbraw/zinc/40/13/00/997401300.db2.gz UMNGWWSQAFFROM-UHFFFAOYSA-N 0 2 406.533 3.956 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)ccc1Br ZINC000476909990 997516442 /nfs/dbraw/zinc/51/64/42/997516442.db2.gz ADVUZXDEZDYAEK-UHFFFAOYSA-N 0 2 412.092 3.960 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cc(CC(C)(C)C)nn2C)ccc1Br ZINC000476911216 997519737 /nfs/dbraw/zinc/51/97/37/997519737.db2.gz DAOKTRLTDAMOQL-UHFFFAOYSA-N 0 2 416.341 3.581 20 0 HHADLN CC1(C)CCCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC1 ZINC000485355996 997780300 /nfs/dbraw/zinc/78/03/00/997780300.db2.gz SEXUXROUPSRGKY-UHFFFAOYSA-N 0 2 408.549 3.988 20 0 HHADLN C[C@H]1CCC[C@H](N(C)C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000485360311 997784585 /nfs/dbraw/zinc/78/45/85/997784585.db2.gz QNIUIWLUJVGDJS-ZFWWWQNUSA-N 0 2 408.549 3.986 20 0 HHADLN CC(C)C[C@@H]1CCCN1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485374513 997801420 /nfs/dbraw/zinc/80/14/20/997801420.db2.gz GOOMEXZUKMDOGC-HNNXBMFYSA-N 0 2 408.549 3.986 20 0 HHADLN CC(C)C[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000485382247 997810062 /nfs/dbraw/zinc/81/00/62/997810062.db2.gz KWMLTLXDIFHOOE-CQSZACIVSA-N 0 2 408.549 3.844 20 0 HHADLN CC[C@@H](C)[C@@H](OC)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C ZINC000477155486 997815347 /nfs/dbraw/zinc/81/53/47/997815347.db2.gz YWRWXEDPNNMEBH-BFUOFWGJSA-N 0 2 408.495 3.935 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(C)ccc3Br)s[nH]2)c1 ZINC000477250861 997925532 /nfs/dbraw/zinc/92/55/32/997925532.db2.gz OYIHCNSLTIZWKT-UHFFFAOYSA-N 0 2 404.289 3.959 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@H]1Cc2ccccc2S1 ZINC000485486990 997938812 /nfs/dbraw/zinc/93/88/12/997938812.db2.gz HTRNMRPDXKIALW-INIZCTEOSA-N 0 2 417.537 3.599 20 0 HHADLN Cc1ccn(CC(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)c(=O)c1 ZINC000485542288 997997782 /nfs/dbraw/zinc/99/77/82/997997782.db2.gz HETJBZQTXKGRIK-UHFFFAOYSA-N 0 2 418.478 3.528 20 0 HHADLN COCCOc1ccc(Br)cc1NS(=O)(=O)c1cc(C)sc1C ZINC000477361567 998049899 /nfs/dbraw/zinc/04/98/99/998049899.db2.gz RURPCVKZKZKJGW-UHFFFAOYSA-N 0 2 420.350 3.953 20 0 HHADLN Cc1cc(Cl)cc(C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)c1 ZINC000477464249 998177801 /nfs/dbraw/zinc/17/78/01/998177801.db2.gz CTAFEOIPANNXKP-UHFFFAOYSA-N 0 2 408.892 3.553 20 0 HHADLN CC(C)(C)c1ccc(C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)s1 ZINC000477469441 998185537 /nfs/dbraw/zinc/18/55/37/998185537.db2.gz WAEOHJFAYPGPIT-UHFFFAOYSA-N 0 2 422.557 3.950 20 0 HHADLN COc1ccc(Oc2cc(CNC(=O)C3=NN(c4ccccc4)CC3=O)ccn2)cc1 ZINC000485792755 998263324 /nfs/dbraw/zinc/26/33/24/998263324.db2.gz UJSOHYDIEREGTI-UHFFFAOYSA-N 0 2 416.437 3.704 20 0 HHADLN CCOc1cccc(-c2cccc(NS(=O)(=O)c3cnc4c(c3)c(C)nn4C)n2)c1 ZINC000485995400 998438887 /nfs/dbraw/zinc/43/88/87/998438887.db2.gz CYLKRZYLPHDMOW-UHFFFAOYSA-N 0 2 423.498 3.538 20 0 HHADLN CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000486061264 998509261 /nfs/dbraw/zinc/50/92/61/998509261.db2.gz ODJSCVSGZXKXKC-UHFFFAOYSA-N 0 2 415.497 3.683 20 0 HHADLN Cc1cc(Br)cc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)c1 ZINC000486357331 998727134 /nfs/dbraw/zinc/72/71/34/998727134.db2.gz XMLFWCWBBFXLGH-UHFFFAOYSA-N 0 2 416.279 3.776 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)c1 ZINC000486486819 998790945 /nfs/dbraw/zinc/79/09/45/998790945.db2.gz KHKCCMBZJGKGTC-UHFFFAOYSA-N 0 2 401.250 3.822 20 0 HHADLN Cc1cc(F)ccc1S(=O)(=O)Nc1ccn(-c2ncccc2C(F)(F)F)n1 ZINC000486526570 998808297 /nfs/dbraw/zinc/80/82/97/998808297.db2.gz GWGZTDJHRSLLQI-UHFFFAOYSA-N 0 2 400.357 3.534 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1cc(F)c(F)cc1F ZINC000486545227 998817895 /nfs/dbraw/zinc/81/78/95/998817895.db2.gz MDQJYEWJIYUTDL-UHFFFAOYSA-N 0 2 423.203 3.792 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)cc1 ZINC000486549948 998820488 /nfs/dbraw/zinc/82/04/88/998820488.db2.gz PHDJENWVFWTOGK-UHFFFAOYSA-N 0 2 424.935 3.586 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(Br)c(C)c2)n(-c2cc(C)ccn2)n1 ZINC000486554588 998823162 /nfs/dbraw/zinc/82/31/62/998823162.db2.gz CXCPXFODVDZSBP-UHFFFAOYSA-N 0 2 421.320 3.756 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(CCCc2cccs2)o1 ZINC000486556363 998824232 /nfs/dbraw/zinc/82/42/32/998824232.db2.gz ABLSZHMOXXHMQX-UHFFFAOYSA-N 0 2 413.908 3.769 20 0 HHADLN CN(C(=O)C1=NN(c2ccccc2)CC1=O)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000486567309 998830878 /nfs/dbraw/zinc/83/08/78/998830878.db2.gz QGQUOFMQVRJZFR-NRFANRHFSA-N 0 2 419.872 3.883 20 0 HHADLN Cc1cccc(Oc2ccc(S(=O)(=O)Nc3ccnn3-c3ccc(C)nn3)cc2)c1 ZINC000486587626 998842800 /nfs/dbraw/zinc/84/28/00/998842800.db2.gz SYVXDDIYILGETJ-UHFFFAOYSA-N 0 2 421.482 3.872 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)c2cccnc12 ZINC000486605964 998853561 /nfs/dbraw/zinc/85/35/61/998853561.db2.gz QSYQAIAUHCHWNC-UHFFFAOYSA-N 0 2 423.853 3.795 20 0 HHADLN Cc1oc(-c2ccsc2)nc1CC(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000478311285 998879610 /nfs/dbraw/zinc/87/96/10/998879610.db2.gz KIRPUCJIADQYIU-UHFFFAOYSA-N 0 2 401.398 3.956 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc3c(cccc3COC)s2)c1 ZINC000486756914 998925789 /nfs/dbraw/zinc/92/57/89/998925789.db2.gz HCAVNBKZIBPWGW-UHFFFAOYSA-N 0 2 424.475 3.559 20 0 HHADLN CC(C)C(=O)Nc1ccc(CNC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)cc1 ZINC000478440592 998959836 /nfs/dbraw/zinc/95/98/36/998959836.db2.gz AHSNAOGJHRJJTE-UHFFFAOYSA-N 0 2 412.877 3.756 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)c1 ZINC000486910736 999002094 /nfs/dbraw/zinc/00/20/94/999002094.db2.gz PFAFXEJPRZDELL-UHFFFAOYSA-N 0 2 416.402 3.691 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(OCc4ccncc4)cc3)s[nH]2)c1 ZINC000478674774 999082462 /nfs/dbraw/zinc/08/24/62/999082462.db2.gz JJWFSPYCNADIPN-UHFFFAOYSA-N 0 2 418.478 3.862 20 0 HHADLN CC[C@@H](C)c1nnc([C@@H](C)NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)[nH]1 ZINC000487213811 999099156 /nfs/dbraw/zinc/09/91/56/999099156.db2.gz COQJBIUIBGKLSU-NXEZZACHSA-N 0 2 405.915 3.795 20 0 HHADLN COc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1F ZINC000478788293 999141469 /nfs/dbraw/zinc/14/14/69/999141469.db2.gz NAQKTMGPSBQIIJ-UHFFFAOYSA-N 0 2 421.475 3.652 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)[N-]c1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000479065843 999277483 /nfs/dbraw/zinc/27/74/83/999277483.db2.gz SRRDIMFYCXFHKS-UHFFFAOYSA-N 0 2 413.499 3.704 20 0 HHADLN O=S(=O)(Nc1cccnc1N1CCCCC1)c1cc(F)ccc1Br ZINC000479159155 999302122 /nfs/dbraw/zinc/30/21/22/999302122.db2.gz HPONIUAHPJYECC-UHFFFAOYSA-N 0 2 414.300 3.774 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3ccc4ncsc4c3)s2)c1 ZINC000479161182 999303025 /nfs/dbraw/zinc/30/30/25/999303025.db2.gz QWZSBHASUSQTFC-UHFFFAOYSA-N 0 2 418.525 3.548 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2c(OC)cccc2OC)s1)c1ccccc1 ZINC000479163270 999304235 /nfs/dbraw/zinc/30/42/35/999304235.db2.gz SXLYKXRGWONZEJ-CQSZACIVSA-N 0 2 419.528 3.898 20 0 HHADLN CCSCc1ccnc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)c1 ZINC000479199470 999323141 /nfs/dbraw/zinc/32/31/41/999323141.db2.gz YUZAQOKBOAKYRJ-UHFFFAOYSA-N 0 2 423.535 3.511 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(/C=C/c3ccco3)s2)cc1Cl ZINC000479214817 999329117 /nfs/dbraw/zinc/32/91/17/999329117.db2.gz KRRHQRMWPYEDEW-QPJJXVBHSA-N 0 2 424.891 3.714 20 0 HHADLN O=C1CCCc2cc(S(=O)(=O)Nc3cc(C4CC4)nn3-c3ccccc3)ccc2N1 ZINC000479254615 999349446 /nfs/dbraw/zinc/34/94/46/999349446.db2.gz FFAWJPOSAXMCOY-UHFFFAOYSA-N 0 2 422.510 3.825 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ccccc2)ccc1C ZINC000479264654 999354321 /nfs/dbraw/zinc/35/43/21/999354321.db2.gz WITWKOMASSLNMM-UHFFFAOYSA-N 0 2 410.499 3.817 20 0 HHADLN CN(Cc1cscn1)Cc1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000479281077 999363159 /nfs/dbraw/zinc/36/31/59/999363159.db2.gz KDTWFXOZJHTPNN-UHFFFAOYSA-N 0 2 409.483 3.854 20 0 HHADLN CC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)cc1 ZINC000488279363 999421571 /nfs/dbraw/zinc/42/15/71/999421571.db2.gz CGKMSKDHBOZCIY-AWEZNQCLSA-N 0 2 409.891 3.759 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CC(c3nc4ccccc4s3)C2)=N1 ZINC000479480392 999435754 /nfs/dbraw/zinc/43/57/54/999435754.db2.gz MHYILOCIXLVUJA-UHFFFAOYSA-N 0 2 404.495 3.990 20 0 HHADLN O=S(=O)(Nc1ccc(OC2CCCCC2)cc1)c1cnn(CC(F)(F)F)c1 ZINC000479489278 999440773 /nfs/dbraw/zinc/44/07/73/999440773.db2.gz JINGUQGYGARKCU-UHFFFAOYSA-N 0 2 403.426 3.958 20 0 HHADLN O=S(=O)(Nc1ccc(Sc2ccncc2)cc1)c1cnn(CC(F)(F)F)c1 ZINC000479492506 999442547 /nfs/dbraw/zinc/44/25/47/999442547.db2.gz WBKVFFOMFTXIGT-UHFFFAOYSA-N 0 2 414.434 3.792 20 0 HHADLN COCCOc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1F ZINC000479500782 999446271 /nfs/dbraw/zinc/44/62/71/999446271.db2.gz VKLCVMWATVSEIR-UHFFFAOYSA-N 0 2 422.247 3.553 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccc2F)c1)c1ccc(Br)cc1F ZINC000479519258 999456887 /nfs/dbraw/zinc/45/68/87/999456887.db2.gz VAXZKPGNEUXUOT-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN O=S(=O)(Nc1ccc(CCC(F)(F)F)cc1)c1cnn(CC(F)(F)F)c1 ZINC000479520340 999457564 /nfs/dbraw/zinc/45/75/64/999457564.db2.gz ZFBXQOJTWUFAKC-UHFFFAOYSA-N 0 2 401.332 3.741 20 0 HHADLN O=S(=O)(Nc1cccc(-c2ccc3c(c2)CCO3)c1)c1cnn(CC(F)F)c1 ZINC000488434959 999486142 /nfs/dbraw/zinc/48/61/42/999486142.db2.gz UOJODYKYHHDNEK-UHFFFAOYSA-N 0 2 405.426 3.551 20 0 HHADLN O=S(=O)(Cc1cccc(C(F)F)c1)c1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000479633620 999511737 /nfs/dbraw/zinc/51/17/37/999511737.db2.gz GBPHIOLOFFHNJM-UHFFFAOYSA-N 0 2 413.833 3.949 20 0 HHADLN Cc1ccc(-n2nc(C(C)C)cc2NS(=O)(=O)c2cnn(CC(F)F)c2)cc1 ZINC000488564368 999529358 /nfs/dbraw/zinc/52/93/58/999529358.db2.gz KAQWMCUUVSGFCM-UHFFFAOYSA-N 0 2 409.462 3.567 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1nn(-c2ccccc2)c2c1CCC2 ZINC000479748633 999570613 /nfs/dbraw/zinc/57/06/13/999570613.db2.gz DCPGABPDVVSYGY-UHFFFAOYSA-N 0 2 406.396 3.677 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)c1c[nH]c2ncccc12 ZINC000489002006 999668892 /nfs/dbraw/zinc/66/88/92/999668892.db2.gz JNTHAYRYFIOLFP-AWEZNQCLSA-N 0 2 421.906 3.965 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC/C=C\c2ccccc2)c(F)c1Cl ZINC000480012554 999686121 /nfs/dbraw/zinc/68/61/21/999686121.db2.gz AICGXBLVYXUIQL-YVMONPNESA-N 0 2 400.834 3.568 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccccc2N2CCCCCC2)cnn1-c1ccccn1 ZINC000480020654 999689462 /nfs/dbraw/zinc/68/94/62/999689462.db2.gz YKMNXIXUQABZBX-UHFFFAOYSA-N 0 2 411.531 3.757 20 0 HHADLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)sc2C1 ZINC000480020668 999689527 /nfs/dbraw/zinc/68/95/27/999689527.db2.gz YRXKQSOTUZAWIN-CQSZACIVSA-N 0 2 417.560 3.738 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000480051953 999702595 /nfs/dbraw/zinc/70/25/95/999702595.db2.gz UJGZCINQHAOMCY-HNNXBMFYSA-N 0 2 420.844 3.592 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000480052587 999702960 /nfs/dbraw/zinc/70/29/60/999702960.db2.gz YEKNLAFJUHQVOG-IXDOHACOSA-N 0 2 412.540 3.725 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2c3c(ccc2OC)CCC3)c1 ZINC000480227667 999750581 /nfs/dbraw/zinc/75/05/81/999750581.db2.gz IXBRKJIRJXGEQF-UHFFFAOYSA-N 0 2 412.305 3.756 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C(C)C)c[nH]1 ZINC000480229965 999751306 /nfs/dbraw/zinc/75/13/06/999751306.db2.gz QHXPKKXWUSSRFS-UHFFFAOYSA-N 0 2 422.894 3.565 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3CC)cnn1C(CC)CC ZINC000480256019 999757672 /nfs/dbraw/zinc/75/76/72/999757672.db2.gz YEYKZXRKITYIIM-UHFFFAOYSA-N 0 2 406.508 3.535 20 0 HHADLN CCOC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000480257034 999757899 /nfs/dbraw/zinc/75/78/99/999757899.db2.gz CQVRNEMDKHPRNV-UHFFFAOYSA-N 0 2 422.528 3.617 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2noc(COc3ccc(F)cc3)n2)c(Cl)cc1F ZINC000480259255 999758188 /nfs/dbraw/zinc/75/81/88/999758188.db2.gz FTXOIXUVCBWPJZ-UHFFFAOYSA-N 0 2 415.805 3.689 20 0 HHADLN O=C(NCCc1cccc(C(F)(F)F)n1)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000489428359 999765518 /nfs/dbraw/zinc/76/55/18/999765518.db2.gz HWIQUBHWEBZEKE-UHFFFAOYSA-N 0 2 410.783 3.618 20 0 HHADLN CC[C@@H](N=c1nc(C(C)(C)C)[nH]s1)c1ccccc1OCC(=O)N1CCCC1 ZINC000489650847 999810226 /nfs/dbraw/zinc/81/02/26/999810226.db2.gz TZHFFJRRPLEJGM-MRXNPFEDSA-N 0 2 402.564 3.822 20 0 HHADLN Cc1nc(S(=O)(=O)NC[C@@H]2CCCCC(F)(F)C2)sc1Br ZINC000489996224 999874845 /nfs/dbraw/zinc/87/48/45/999874845.db2.gz KIFWYCZOVFLOIB-SECBINFHSA-N 0 2 403.314 3.708 20 0 HHADLN CCc1ccc([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)cc1 ZINC000490012946 999877527 /nfs/dbraw/zinc/87/75/27/999877527.db2.gz KJUFTKAVAJDEPY-ZDUSSCGKSA-N 0 2 416.528 3.644 20 0 HHADLN O=C(C/C=C\c1cccc(F)c1)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000490066084 999888058 /nfs/dbraw/zinc/88/80/58/999888058.db2.gz IRXUNVKNSKLVKG-RQOWECAXSA-N 0 2 418.475 3.520 20 0 HHADLN O=C(C/C=C\c1ccccc1F)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000490091049 999891874 /nfs/dbraw/zinc/89/18/74/999891874.db2.gz RNWBNWYZBPYZIN-HYXAFXHYSA-N 0 2 418.475 3.520 20 0 HHADLN Cn1cc(S(=O)(=O)Nc2cc(Cl)ccc2Sc2ccccc2)cc1C(N)=O ZINC000491078405 1000042950 /nfs/dbraw/zinc/04/29/50/1000042950.db2.gz OWRWAJVHYMBPKW-UHFFFAOYSA-N 0 2 421.931 3.729 20 0 HHADLN Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC000492077449 1000108528 /nfs/dbraw/zinc/10/85/28/1000108528.db2.gz DGVJPIGCAVNHNA-UHFFFAOYSA-N 0 2 405.911 3.722 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)c(C)c3)cc2)nc(C)n1 ZINC000504489203 1000230588 /nfs/dbraw/zinc/23/05/88/1000230588.db2.gz PDYSQVBJUONBPD-UHFFFAOYSA-N 0 2 414.462 3.594 20 0 HHADLN CC(C)c1nnc2n1CCN(C(=O)C1=NN(c3cccc(C(C)C)c3)CC1=O)[C@H]2C ZINC000504782171 1000367406 /nfs/dbraw/zinc/36/74/06/1000367406.db2.gz LLMDDENXNDYIAE-HNNXBMFYSA-N 0 2 408.506 3.633 20 0 HHADLN COC(=O)CCSCc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000504984329 1000488510 /nfs/dbraw/zinc/48/85/10/1000488510.db2.gz BZYONMITASUSCX-UHFFFAOYSA-N 0 2 419.446 3.701 20 0 HHADLN CC(=O)N1CCN(C(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)CC12CCCCC2 ZINC000494441939 1000494201 /nfs/dbraw/zinc/49/42/01/1000494201.db2.gz CPFCWDQQFHNMMM-UHFFFAOYSA-N 0 2 424.545 3.709 20 0 HHADLN O=S(=O)(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cccc2cccnc21 ZINC000494555462 1000553330 /nfs/dbraw/zinc/55/33/30/1000553330.db2.gz WZPQGQXDEQQIEQ-UHFFFAOYSA-N 0 2 416.524 3.752 20 0 HHADLN O=C1Nc2ccc(S(=O)(=O)Nc3cncnc3-c3ccccc3)c3cccc1c23 ZINC000494568778 1000558247 /nfs/dbraw/zinc/55/82/47/1000558247.db2.gz BXDSPSPQMASZAW-UHFFFAOYSA-N 0 2 402.435 3.663 20 0 HHADLN CC(C)N1Cc2cccc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)c2C1 ZINC000494569927 1000558689 /nfs/dbraw/zinc/55/86/89/1000558689.db2.gz LNUPWEJAUNZSKP-UHFFFAOYSA-N 0 2 400.479 3.536 20 0 HHADLN O=C(c1ccc(Br)c(O)c1)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000497096608 1001269870 /nfs/dbraw/zinc/26/98/70/1001269870.db2.gz YZTWBUVGBFCXNW-HNNXBMFYSA-N 0 2 413.275 3.917 20 0 HHADLN CC[C@H](OC1CCCC1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000497530706 1001422657 /nfs/dbraw/zinc/42/26/57/1001422657.db2.gz SIQPLHYXIWEYAX-INIZCTEOSA-N 0 2 409.533 3.620 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccccc2OC(C)(C)C)c1 ZINC000506660659 1001486212 /nfs/dbraw/zinc/48/62/12/1001486212.db2.gz CRUJBPVKVZXNRG-UHFFFAOYSA-N 0 2 407.488 3.850 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2C(F)(F)F)c1 ZINC000506689144 1001494857 /nfs/dbraw/zinc/49/48/57/1001494857.db2.gz JRAFDCQJDXRJCI-UHFFFAOYSA-N 0 2 405.394 3.670 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)c1 ZINC000497863560 1001541336 /nfs/dbraw/zinc/54/13/36/1001541336.db2.gz UXCJDWSMXHWDNI-CHWSQXEVSA-N 0 2 415.968 3.515 20 0 HHADLN C[C@@H]1CN(Cc2csc(NS(=O)(=O)c3csc4ccccc43)n2)C[C@H](C)O1 ZINC000506820036 1001548437 /nfs/dbraw/zinc/54/84/37/1001548437.db2.gz MKGNKKAVQMFWIQ-BETUJISGSA-N 0 2 423.585 3.768 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)ccc1C ZINC000506863177 1001570611 /nfs/dbraw/zinc/57/06/11/1001570611.db2.gz VHSZCQKEQUKGHY-UHFFFAOYSA-N 0 2 422.528 3.584 20 0 HHADLN CCOc1ccc(OC)cc1NS(=O)(=O)c1cc(C)ccc1Br ZINC000498012406 1001603872 /nfs/dbraw/zinc/60/38/72/1001603872.db2.gz OAFKNWKKRAJPAY-UHFFFAOYSA-N 0 2 400.294 3.966 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CC[C@H](COCc4ccccc4)C3)s[nH]2)c1 ZINC000498223242 1001706951 /nfs/dbraw/zinc/70/69/51/1001706951.db2.gz GRMYQROUUVOEEM-KRWDZBQOSA-N 0 2 424.526 3.706 20 0 HHADLN O=C(c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1)N1CCc2ccccc21 ZINC000498411708 1001841113 /nfs/dbraw/zinc/84/11/13/1001841113.db2.gz FQDRIVLUEZDANY-UHFFFAOYSA-N 0 2 414.433 3.969 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc3c(ccc4c3CCCC4)s2)cc1OC ZINC000507304173 1001986082 /nfs/dbraw/zinc/98/60/82/1001986082.db2.gz OBXBJEJXNOKZNT-UHFFFAOYSA-N 0 2 404.513 3.993 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc(-c2ccccc2)nn1C(C)C ZINC000507317546 1001997269 /nfs/dbraw/zinc/99/72/69/1001997269.db2.gz WTXMBWBJFZEUQO-UHFFFAOYSA-N 0 2 417.462 3.858 20 0 HHADLN Cc1cc(N2CCCCCC2)ccc1NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000507440397 1002072035 /nfs/dbraw/zinc/07/20/35/1002072035.db2.gz FNGDFVIZTHQSFA-UHFFFAOYSA-N 0 2 415.563 3.524 20 0 HHADLN COCCCOc1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1OC ZINC000507544887 1002151744 /nfs/dbraw/zinc/15/17/44/1002151744.db2.gz CIXBSKGNOPDAIR-UHFFFAOYSA-N 0 2 403.859 3.704 20 0 HHADLN O=S(=O)(Nc1cc(F)c(F)cc1N1CCOCC1)c1cc(Cl)ccc1Cl ZINC000507569982 1002174744 /nfs/dbraw/zinc/17/47/44/1002174744.db2.gz XBPAFENRAMHWPG-UHFFFAOYSA-N 0 2 423.268 3.909 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1OC1CCOCC1)c1ccccc1-c1ccno1 ZINC000507579214 1002183882 /nfs/dbraw/zinc/18/38/82/1002183882.db2.gz CGHQUGSPQKAQEU-UHFFFAOYSA-N 0 2 418.446 3.839 20 0 HHADLN CNC(=O)Nc1cc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)ccc1F ZINC000507600993 1002207751 /nfs/dbraw/zinc/20/77/51/1002207751.db2.gz NLQHZOALJOGSFA-UHFFFAOYSA-N 0 2 406.266 3.993 20 0 HHADLN CC1(C)Cc2cccc(S(=O)(=O)Nc3ccc(F)cc3OC3CCOCC3)c2O1 ZINC000507616963 1002222296 /nfs/dbraw/zinc/22/22/96/1002222296.db2.gz MTZRCEFOPJXVRZ-UHFFFAOYSA-N 0 2 421.490 3.898 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000507640014 1002241284 /nfs/dbraw/zinc/24/12/84/1002241284.db2.gz YPBMMBBXGWQZOK-UHFFFAOYSA-N 0 2 404.441 3.883 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2cc(F)ccc2F)c(C)cc1Br ZINC000507650074 1002249655 /nfs/dbraw/zinc/24/96/55/1002249655.db2.gz OCPAIAAUDGYEKH-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NCC(C)(C)C2CCCCC2)cn1 ZINC000498884903 1002271714 /nfs/dbraw/zinc/27/17/14/1002271714.db2.gz RUKRKZCUXCUDFK-UHFFFAOYSA-N 0 2 424.592 3.619 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc2n[nH]cc2c(C)c1 ZINC000507889933 1002423258 /nfs/dbraw/zinc/42/32/58/1002423258.db2.gz FNGSGRAKPMTVKD-UHFFFAOYSA-N 0 2 414.270 3.766 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cc(COC)ccc2OC)c2ncccc12 ZINC000507905857 1002440267 /nfs/dbraw/zinc/44/02/67/1002440267.db2.gz ZLTSZLFVVFTVTJ-UHFFFAOYSA-N 0 2 402.472 3.589 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)cn1 ZINC000507936473 1002470405 /nfs/dbraw/zinc/47/04/05/1002470405.db2.gz MTIYVLKZUDNXDT-UHFFFAOYSA-N 0 2 406.336 3.721 20 0 HHADLN Cn1cc(-c2ncccc2NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cn1 ZINC000507950947 1002483844 /nfs/dbraw/zinc/48/38/44/1002483844.db2.gz LZHJVLIQIJJENM-UHFFFAOYSA-N 0 2 416.812 3.955 20 0 HHADLN O=S(=O)(Nc1ncc(-c2cccnc2)s1)c1cc(F)ccc1Br ZINC000508066759 1002587630 /nfs/dbraw/zinc/58/76/30/1002587630.db2.gz DVTSGMLEYJIULR-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN O=S(=O)(Nc1nc2c(cccc2Br)s1)c1ccc2c(c1)CCO2 ZINC000508082567 1002604242 /nfs/dbraw/zinc/60/42/42/1002604242.db2.gz HILMHHUUBOPXRG-UHFFFAOYSA-N 0 2 411.302 3.795 20 0 HHADLN CCn1c2ccc(S(=O)(=O)Nc3ccc4c(Cl)cccc4n3)cc2oc1=O ZINC000508083104 1002605085 /nfs/dbraw/zinc/60/50/85/1002605085.db2.gz KBSIMZYILCVZKW-UHFFFAOYSA-N 0 2 403.847 3.617 20 0 HHADLN COCc1cnc(NS(=O)(=O)c2ccc(Oc3ccc(OC)cc3)cc2)s1 ZINC000508098035 1002622489 /nfs/dbraw/zinc/62/24/89/1002622489.db2.gz VNSGYRUKZILCGY-UHFFFAOYSA-N 0 2 406.485 3.891 20 0 HHADLN Cc1cc(F)cc(C)c1S(=O)(=O)Nc1nnc(-c2cccc(OC(F)F)c2)o1 ZINC000508112308 1002639420 /nfs/dbraw/zinc/63/94/20/1002639420.db2.gz ZHJQPQLQJDNXBQ-UHFFFAOYSA-N 0 2 413.377 3.895 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)c1 ZINC000508112903 1002640668 /nfs/dbraw/zinc/64/06/68/1002640668.db2.gz OTQWSBKMQTXVNK-UHFFFAOYSA-N 0 2 417.350 3.909 20 0 HHADLN CSc1ccc(S(=O)(=O)Nc2nnc(-c3cccc(OC(F)F)c3)o2)cc1 ZINC000508126424 1002656215 /nfs/dbraw/zinc/65/62/15/1002656215.db2.gz UGADBRPPCRULNN-UHFFFAOYSA-N 0 2 413.427 3.861 20 0 HHADLN Cc1c(F)cccc1S(=O)(=O)Nc1nnc(-c2cccc(Br)c2)o1 ZINC000508130099 1002661552 /nfs/dbraw/zinc/66/15/52/1002661552.db2.gz FLPWYRFRJCKJRC-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cc3[nH]ncc3c(C)c2)cc1Br ZINC000499274247 1002680757 /nfs/dbraw/zinc/68/07/57/1002680757.db2.gz QGBDYFMVPJYJBY-UHFFFAOYSA-N 0 2 410.293 3.833 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc(C(F)(F)F)c(C)c3)cnc2c1Cl ZINC000499300842 1002710156 /nfs/dbraw/zinc/71/01/56/1002710156.db2.gz NEDPCXSPGDMATG-UHFFFAOYSA-N 0 2 404.801 3.819 20 0 HHADLN CCCCc1nnc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)o1 ZINC000508187076 1002721853 /nfs/dbraw/zinc/72/18/53/1002721853.db2.gz JWZZAFGTXDGXGJ-UHFFFAOYSA-N 0 2 412.668 3.768 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)ncn2)ccc1C ZINC000508214323 1002745503 /nfs/dbraw/zinc/74/55/03/1002745503.db2.gz LOAIYAUHUFUHQQ-UHFFFAOYSA-N 0 2 417.874 3.693 20 0 HHADLN O=S(=O)(Nc1nnc(CCOc2ccccc2)o1)c1csc2ccccc12 ZINC000508232739 1002759752 /nfs/dbraw/zinc/75/97/52/1002759752.db2.gz ADBFXUMFVZUXFY-UHFFFAOYSA-N 0 2 401.469 3.707 20 0 HHADLN C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000499713798 1003062837 /nfs/dbraw/zinc/06/28/37/1003062837.db2.gz LADFJDLCORDBEF-ZDUSSCGKSA-N 0 2 408.433 3.557 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](C)c3cccc(OC(F)F)c3)=N2)cc1 ZINC000499743230 1003088543 /nfs/dbraw/zinc/08/85/43/1003088543.db2.gz PVCQOUVKWQDHIJ-GFCCVEGCSA-N 0 2 403.385 3.679 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(C)Cc3ccccc3C(F)(F)F)=N2)cc1 ZINC000499752634 1003095077 /nfs/dbraw/zinc/09/50/77/1003095077.db2.gz TVPCZYUZHZTFMC-UHFFFAOYSA-N 0 2 405.376 3.878 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NC[C@H]3CCCO[C@@H]3c3ccc(C)cc3)=N2)cc1 ZINC000499815726 1003151177 /nfs/dbraw/zinc/15/11/77/1003151177.db2.gz LMFZORQQDXXJBS-WZONZLPQSA-N 0 2 421.497 3.793 20 0 HHADLN COc1ccc(-n2cc([O-])c(C(=O)N[C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)n2)cc1 ZINC000499839536 1003176614 /nfs/dbraw/zinc/17/66/14/1003176614.db2.gz PTWQXQYYHGLWNK-OAHLLOKOSA-N 0 2 417.469 3.572 20 0 HHADLN CCCN(C(=O)C1=NN(c2ccc(F)cc2)CC1=O)[C@@H](C)C(=O)Nc1ccccc1 ZINC000499887878 1003223216 /nfs/dbraw/zinc/22/32/16/1003223216.db2.gz COVCNEJNYLOMQU-HNNXBMFYSA-N 0 2 410.449 3.596 20 0 HHADLN O=C(Nc1ccccc1NS(=O)(=O)c1cccc2c1OCO2)c1cccs1 ZINC000509074069 1003534320 /nfs/dbraw/zinc/53/43/20/1003534320.db2.gz GIVGMJLKVRWAPG-UHFFFAOYSA-N 0 2 402.453 3.530 20 0 HHADLN C[S@](=O)c1cccc(NS(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000509075171 1003535477 /nfs/dbraw/zinc/53/54/77/1003535477.db2.gz OSAIRNSULWRGQG-FQEVSTJZSA-N 0 2 408.726 3.641 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2cccc3c2OCO3)s1)c1ccccc1 ZINC000509202941 1003621580 /nfs/dbraw/zinc/62/15/80/1003621580.db2.gz MVINYSNPKZRWFU-ZDUSSCGKSA-N 0 2 403.485 3.610 20 0 HHADLN CCNC(=O)Nc1cccc(NS(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000500330933 1003629999 /nfs/dbraw/zinc/62/99/99/1003629999.db2.gz OSRUSYBJPQQPCU-UHFFFAOYSA-N 0 2 416.272 3.530 20 0 HHADLN CC(C)(C)Cc1nnc(NS(=O)(=O)c2c(Cl)cccc2Br)o1 ZINC000509237042 1003644597 /nfs/dbraw/zinc/64/45/97/1003644597.db2.gz HLRARLQIQBRZHB-UHFFFAOYSA-N 0 2 408.705 3.875 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cccc3c2OCO3)sc1Cc1c(F)cccc1F ZINC000509240679 1003647694 /nfs/dbraw/zinc/64/76/94/1003647694.db2.gz NSIDEGYTPMBFJQ-UHFFFAOYSA-N 0 2 424.450 3.850 20 0 HHADLN O=C(NCc1cccc(COCC(F)(F)F)c1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000500361227 1003659148 /nfs/dbraw/zinc/65/91/48/1003659148.db2.gz RQPOTCKMIOVLHU-UHFFFAOYSA-N 0 2 423.366 3.726 20 0 HHADLN O=S(=O)(Nc1nnc(C(F)F)s1)c1ccc(Cl)cc1Br ZINC000500493963 1003746444 /nfs/dbraw/zinc/74/64/44/1003746444.db2.gz ZBEHINOHFMJJSM-UHFFFAOYSA-N 0 2 404.645 3.692 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2cc(C)cc(C)c2OC)c1OC(C)C ZINC000509389382 1003819261 /nfs/dbraw/zinc/81/92/61/1003819261.db2.gz UKPSCTPEHNZTHM-UHFFFAOYSA-N 0 2 407.488 3.687 20 0 HHADLN O=C(c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)N1CC[C@]2(C1)CCCOC2 ZINC000511858746 1003839560 /nfs/dbraw/zinc/83/95/60/1003839560.db2.gz LEVGPHYQPIOFSI-DEOSSOPVSA-N 0 2 404.466 3.963 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(C[C@H]3CCCO3)C3CCC(C)CC3)=N2)cc1 ZINC000500668728 1003880066 /nfs/dbraw/zinc/88/00/66/1003880066.db2.gz OHZBPHMBENSTTM-LBXVMSDZSA-N 0 2 413.518 3.786 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1OC ZINC000509616427 1003983407 /nfs/dbraw/zinc/98/34/07/1003983407.db2.gz FXBNAVBIAHIUQV-UHFFFAOYSA-N 0 2 415.442 3.875 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nc3c(ccc(F)c3F)s2)cc1OC ZINC000500876418 1004021642 /nfs/dbraw/zinc/02/16/42/1004021642.db2.gz QMNXPLVUJLGUFK-UHFFFAOYSA-N 0 2 400.428 3.701 20 0 HHADLN CO[C@H](C)c1nc(=NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)s[n-]1 ZINC000509679657 1004025009 /nfs/dbraw/zinc/02/50/09/1004025009.db2.gz OYIZHSYGLIPQRZ-PBHICJAKSA-N 0 2 400.573 3.940 20 0 HHADLN CO[C@H](C)c1nc(=NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)s[n-]1 ZINC000509679657 1004025014 /nfs/dbraw/zinc/02/50/14/1004025014.db2.gz OYIZHSYGLIPQRZ-PBHICJAKSA-N 0 2 400.573 3.940 20 0 HHADLN CO[C@H](C)c1nsc(NCC2(c3cccc(Br)c3)CCOCC2)n1 ZINC000509695028 1004034840 /nfs/dbraw/zinc/03/48/40/1004034840.db2.gz WOGPHHIEGRXJNE-GFCCVEGCSA-N 0 2 412.353 3.590 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccccc2Cl)ns1)c1cnc2ccsc2c1 ZINC000512347573 1004235865 /nfs/dbraw/zinc/23/58/65/1004235865.db2.gz LJZLJGAENGRUMT-UHFFFAOYSA-N 0 2 408.917 3.691 20 0 HHADLN COc1cccc(-c2nsc(NS(=O)(=O)c3c(Cl)cccc3Cl)n2)c1 ZINC000512349090 1004237227 /nfs/dbraw/zinc/23/72/27/1004237227.db2.gz RYKIGCXDIKBQEO-UHFFFAOYSA-N 0 2 416.311 3.743 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)n(-c2ccccc2)n1 ZINC000512357414 1004243474 /nfs/dbraw/zinc/24/34/74/1004243474.db2.gz HONOQNKWGDJYBY-UHFFFAOYSA-N 0 2 418.478 3.725 20 0 HHADLN Cn1cc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)c(C(C)(C)C)n1 ZINC000512610284 1004423578 /nfs/dbraw/zinc/42/35/78/1004423578.db2.gz YTEFVAMYZQMDBK-UHFFFAOYSA-N 0 2 405.549 3.587 20 0 HHADLN O=C(c1oc2ccccc2c1COc1ccccc1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510299835 1004461128 /nfs/dbraw/zinc/46/11/28/1004461128.db2.gz WNBJSLHSZKWEJS-OAHLLOKOSA-N 0 2 418.453 3.855 20 0 HHADLN COc1cc(C)c(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)c(C)n1 ZINC000512652251 1004463984 /nfs/dbraw/zinc/46/39/84/1004463984.db2.gz KPTWQMVEJJVCFW-UHFFFAOYSA-N 0 2 404.517 3.576 20 0 HHADLN Cn1cnc2cc(C(=O)Nc3nc(-c4ccc(Br)cc4F)n[nH]3)ccc21 ZINC000512761737 1004543798 /nfs/dbraw/zinc/54/37/98/1004543798.db2.gz HIWSYJDTOXLDSO-UHFFFAOYSA-N 0 2 415.226 3.512 20 0 HHADLN Cn1cccc1C(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000512803702 1004568435 /nfs/dbraw/zinc/56/84/35/1004568435.db2.gz ZSFLARNPJPSVCX-UHFFFAOYSA-N 0 2 407.854 3.871 20 0 HHADLN COc1ccc(C(=O)N2CCCCCC2)cc1NS(=O)(=O)c1ccccc1OC ZINC000501820528 1004758040 /nfs/dbraw/zinc/75/80/40/1004758040.db2.gz FUPQZWIRUNPATI-UHFFFAOYSA-N 0 2 418.515 3.521 20 0 HHADLN COc1ccc(C(=O)N2CCCCCC2)cc1NS(=O)(=O)c1cccc(F)c1 ZINC000501829620 1004763153 /nfs/dbraw/zinc/76/31/53/1004763153.db2.gz PCBWXTXFDPIYSH-UHFFFAOYSA-N 0 2 406.479 3.651 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000502167310 1004934647 /nfs/dbraw/zinc/93/46/47/1004934647.db2.gz MDOIAIBNTHFNLV-HBMCJLEFSA-N 0 2 417.513 3.861 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2cccc(CS(=O)(=O)c3ccccc3)c2)c1F ZINC000513437476 1004966091 /nfs/dbraw/zinc/96/60/91/1004966091.db2.gz MTVWRWCXMSUREX-UHFFFAOYSA-N 0 2 419.499 3.909 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2c(C)[nH]nc2C(F)F)cc1Br ZINC000502447440 1005078999 /nfs/dbraw/zinc/07/89/99/1005078999.db2.gz FISWOACKWGOKNL-UHFFFAOYSA-N 0 2 410.240 3.618 20 0 HHADLN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccccc1OCC(F)(F)F ZINC000513812007 1005138533 /nfs/dbraw/zinc/13/85/33/1005138533.db2.gz CAAPFMSJNPFDDK-UHFFFAOYSA-N 0 2 403.378 3.524 20 0 HHADLN CCc1cc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)c2c(n1)onc2C(C)C ZINC000513823618 1005145968 /nfs/dbraw/zinc/14/59/68/1005145968.db2.gz XMWYCUNHNFTFOR-UHFFFAOYSA-N 0 2 420.473 3.536 20 0 HHADLN O=S(=O)(Nc1cnc(-c2cccc(O)c2)nc1)c1ccc(F)c(C(F)(F)F)c1 ZINC000502756780 1005203139 /nfs/dbraw/zinc/20/31/39/1005203139.db2.gz VVKFHYJSJCIKAN-UHFFFAOYSA-N 0 2 413.352 3.808 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1csc(I)c1 ZINC000503221657 1005371098 /nfs/dbraw/zinc/37/10/98/1005371098.db2.gz WPLQSGVOJMMNCD-UHFFFAOYSA-N 0 2 413.265 3.545 20 0 HHADLN O=C(Nc1cnn(Cc2ccncc2)c1)c1[nH]nc(-c2ccccc2)c1Br ZINC000503834851 1005498630 /nfs/dbraw/zinc/49/86/30/1005498630.db2.gz XSNUJIJFDBDGGO-UHFFFAOYSA-N 0 2 423.274 3.731 20 0 HHADLN CC(=O)Nc1ccc2nc(NS(=O)(=O)c3ccc4c(c3)CCCC4)sc2c1 ZINC000504101059 1005552552 /nfs/dbraw/zinc/55/25/52/1005552552.db2.gz UWFWJVMNBOCNJN-UHFFFAOYSA-N 0 2 401.513 3.934 20 0 HHADLN O=S(=O)(Nc1ccc2c[nH]nc2c1)c1c(Cl)cc(F)cc1Br ZINC000504293684 1005591144 /nfs/dbraw/zinc/59/11/44/1005591144.db2.gz RRUFYRAERAFUNL-UHFFFAOYSA-N 0 2 404.648 3.919 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(C)n(CCCOc3ccc(F)cc3)n2)cc1 ZINC000504293677 1005591206 /nfs/dbraw/zinc/59/12/06/1005591206.db2.gz RNPDNKFLZMLRQW-UHFFFAOYSA-N 0 2 419.478 3.609 20 0 HHADLN CC(C)c1c(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cnn1-c1ccccn1 ZINC000531122103 1006004637 /nfs/dbraw/zinc/00/46/37/1006004637.db2.gz XFKYTQMXAOLJQV-UHFFFAOYSA-N 0 2 409.400 3.706 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCC[C@@H](OCC(F)(F)F)C3)=N2)c1 ZINC000531225921 1006057578 /nfs/dbraw/zinc/05/75/78/1006057578.db2.gz QQAOGESOHLNHPS-MRXNPFEDSA-N 0 2 411.424 3.885 20 0 HHADLN CC[C@@H](NC(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O)c1nnc2n1CCCCC2 ZINC000531257066 1006075179 /nfs/dbraw/zinc/07/51/79/1006075179.db2.gz CLWBEDKFMQHVLM-GOSISDBHSA-N 0 2 422.533 3.900 20 0 HHADLN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)N=c2nc(-c3ccccc3)[nH]s2)c1 ZINC000531341971 1006134365 /nfs/dbraw/zinc/13/43/65/1006134365.db2.gz NGHMJXJHIMEKOO-IBGZPJMESA-N 0 2 424.526 3.849 20 0 HHADLN C[C@H](NC(=O)N=c1nc(-c2ccccc2)[nH]s1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000531342153 1006135781 /nfs/dbraw/zinc/13/57/81/1006135781.db2.gz YKHBNMIVPKVVQT-ZDUSSCGKSA-N 0 2 422.514 3.794 20 0 HHADLN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1ccnn1Cc1ccccn1 ZINC000534207945 1006201719 /nfs/dbraw/zinc/20/17/19/1006201719.db2.gz YODXVIOIQUHNGX-UHFFFAOYSA-N 0 2 421.320 3.507 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1C1CC1 ZINC000534236171 1006240227 /nfs/dbraw/zinc/24/02/27/1006240227.db2.gz VPKXXWIYLPTULT-GFCCVEGCSA-N 0 2 402.520 3.762 20 0 HHADLN O=S(=O)(Nc1ccc(F)cn1)c1ccc(OC(F)(F)F)cc1Br ZINC000534244297 1006251210 /nfs/dbraw/zinc/25/12/10/1006251210.db2.gz CDSBZTKHWHUKCL-UHFFFAOYSA-N 0 2 415.162 3.683 20 0 HHADLN Cc1ncc(NS(=O)(=O)c2cc(Cl)ccc2Br)c(C2CC2)n1 ZINC000515101192 1006290745 /nfs/dbraw/zinc/29/07/45/1006290745.db2.gz WWLVRTZIOOXQAO-UHFFFAOYSA-N 0 2 402.701 3.879 20 0 HHADLN COc1ccc(O)c(NC(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000531835628 1006460227 /nfs/dbraw/zinc/46/02/27/1006460227.db2.gz LSMQXCFWDYBGIL-UHFFFAOYSA-N 0 2 418.496 3.824 20 0 HHADLN O=S(=O)(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cccnc1C(F)(F)F ZINC000515702266 1006599629 /nfs/dbraw/zinc/59/96/29/1006599629.db2.gz COQRYNIPOCGMJM-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN CC1(C)c2cc(S(=O)(=O)Nc3cc(CC4CCCCC4)n[nH]3)ccc2NC1=O ZINC000532114296 1006647728 /nfs/dbraw/zinc/64/77/28/1006647728.db2.gz KWBPUDYLARJGAE-UHFFFAOYSA-N 0 2 402.520 3.563 20 0 HHADLN CCNC(=O)c1cc(NS(=O)(=O)c2cc(F)cc(Cl)c2)nc2ccccc21 ZINC000538452671 1006721582 /nfs/dbraw/zinc/72/15/82/1006721582.db2.gz BEYICNUBYJCWPZ-UHFFFAOYSA-N 0 2 407.854 3.578 20 0 HHADLN O=S(=O)(c1cccc(Cl)c1F)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000534742219 1006732268 /nfs/dbraw/zinc/73/22/68/1006732268.db2.gz MPSIGPQILVGXHQ-CQSZACIVSA-N 0 2 406.870 3.790 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2ccc3cccc(Br)c3n2)c1 ZINC000538464539 1006733502 /nfs/dbraw/zinc/73/35/02/1006733502.db2.gz COCVHMUTWXHELR-UHFFFAOYSA-N 0 2 423.288 3.815 20 0 HHADLN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2cccc(F)c2)cc1 ZINC000516025062 1006837357 /nfs/dbraw/zinc/83/73/57/1006837357.db2.gz BANDUXRSLIEUKY-UHFFFAOYSA-N 0 2 421.471 3.822 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)n(-c2ccc(C)nn2)n1 ZINC000532393903 1006841908 /nfs/dbraw/zinc/84/19/08/1006841908.db2.gz UUMICTUYQNTALS-UHFFFAOYSA-N 0 2 419.466 3.979 20 0 HHADLN COC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000538702759 1006981034 /nfs/dbraw/zinc/98/10/34/1006981034.db2.gz FERVFEPLJKDJIS-UHFFFAOYSA-N 0 2 424.544 3.937 20 0 HHADLN CCc1ccc2nc(NS(=O)(=O)c3ccc(OCCC(=O)OC)cc3)sc2c1 ZINC000534942688 1006984525 /nfs/dbraw/zinc/98/45/25/1006984525.db2.gz IIFQOVDFHXSJIA-UHFFFAOYSA-N 0 2 420.512 3.601 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc(Nc2nc(C)cs2)c1 ZINC000516333650 1007023348 /nfs/dbraw/zinc/02/33/48/1007023348.db2.gz HAKUSZARSZVSKT-UHFFFAOYSA-N 0 2 421.500 3.992 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N(CC(C)C)C(C)C)c1 ZINC000538741260 1007025718 /nfs/dbraw/zinc/02/57/18/1007025718.db2.gz LTJSYNXMZRGFFU-UHFFFAOYSA-N 0 2 420.531 3.708 20 0 HHADLN Cc1[nH]nc2cc(NS(=O)(=O)c3cc(N(C)C)ccc3Br)ccc12 ZINC000538755239 1007040448 /nfs/dbraw/zinc/04/04/48/1007040448.db2.gz HGCQJXIOBWCZJT-UHFFFAOYSA-N 0 2 409.309 3.501 20 0 HHADLN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@H]([N@H+](C)Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000516381231 1007052523 /nfs/dbraw/zinc/05/25/23/1007052523.db2.gz CGEBUHWZOYNLGX-KRWDZBQOSA-N 0 2 421.280 3.764 20 0 HHADLN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@H]([N@@H+](C)Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000516381231 1007052535 /nfs/dbraw/zinc/05/25/35/1007052535.db2.gz CGEBUHWZOYNLGX-KRWDZBQOSA-N 0 2 421.280 3.764 20 0 HHADLN O=C(COc1ccccc1)N1CCC(C(=O)Nc2cc(Cl)cc(Cl)c2O)CC1 ZINC000538831409 1007104646 /nfs/dbraw/zinc/10/46/46/1007104646.db2.gz ZBDZROMWWZNJRK-UHFFFAOYSA-N 0 2 423.296 3.955 20 0 HHADLN Cc1cccc(Oc2ccc(S(=O)(=O)Nc3nc(-c4cccnc4)ns3)cc2)c1 ZINC000535136733 1007175584 /nfs/dbraw/zinc/17/55/84/1007175584.db2.gz GIVZKIKLSLMMHM-UHFFFAOYSA-N 0 2 424.507 3.924 20 0 HHADLN Cn1nc(-c2cc(F)cc(F)c2)cc1NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000516599224 1007180732 /nfs/dbraw/zinc/18/07/32/1007180732.db2.gz YFODWTUNUKGDOU-UHFFFAOYSA-N 0 2 418.347 3.580 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)=N1 ZINC000538925199 1007209686 /nfs/dbraw/zinc/20/96/86/1007209686.db2.gz NDVOWUDMURHEJO-HNNXBMFYSA-N 0 2 423.366 3.508 20 0 HHADLN Cc1cn2c(CN(C)C(=O)C3=NN(c4ccc(F)cc4C)CC3=O)c(C)nc2s1 ZINC000538926899 1007211370 /nfs/dbraw/zinc/21/13/70/1007211370.db2.gz HRRLZTICJBVXJF-UHFFFAOYSA-N 0 2 413.478 3.624 20 0 HHADLN O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000516671290 1007219821 /nfs/dbraw/zinc/21/98/21/1007219821.db2.gz BDSVGQTVAMINNB-LJQANCHMSA-N 0 2 420.444 3.571 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000535182180 1007228144 /nfs/dbraw/zinc/22/81/44/1007228144.db2.gz LZXIBPXOFQWBCW-UHFFFAOYSA-N 0 2 419.441 3.666 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Sc3ccncc3)cc2)c(C)o1 ZINC000532845786 1007230569 /nfs/dbraw/zinc/23/05/69/1007230569.db2.gz PKKSOEWXBQRBEM-UHFFFAOYSA-N 0 2 404.469 3.722 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000516889134 1007331244 /nfs/dbraw/zinc/33/12/44/1007331244.db2.gz VSOBCVLSWZHTKR-UHFFFAOYSA-N 0 2 404.879 3.593 20 0 HHADLN O=S(=O)(Nc1nc2cc(Cl)ccn2n1)c1cccc(Cl)c1Br ZINC000516943391 1007349529 /nfs/dbraw/zinc/34/95/29/1007349529.db2.gz YHBXYXHHRWJJQZ-UHFFFAOYSA-N 0 2 422.091 3.599 20 0 HHADLN CC(C)Oc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)cc1 ZINC000539110591 1007396762 /nfs/dbraw/zinc/39/67/62/1007396762.db2.gz NMAIWOJNURHXNP-UHFFFAOYSA-N 0 2 415.519 3.548 20 0 HHADLN CC1(C)CC(C)(C)c2cc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)ccc21 ZINC000535401599 1007468900 /nfs/dbraw/zinc/46/89/00/1007468900.db2.gz NHSZMPFGNWCNJT-UHFFFAOYSA-N 0 2 403.548 3.994 20 0 HHADLN C[C@@H](c1ccc(F)c(F)c1)S(=O)(=O)c1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000517215640 1007510748 /nfs/dbraw/zinc/51/07/48/1007510748.db2.gz SBWCVPFEGCVFGE-JTQLQIEISA-N 0 2 413.833 3.850 20 0 HHADLN O=S(=O)(Cc1cccc2cccnc21)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000535456036 1007518308 /nfs/dbraw/zinc/51/83/08/1007518308.db2.gz LBLWHONSULHANX-LJQANCHMSA-N 0 2 419.510 3.687 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccn2)c1)c1cc(Br)sc1Cl ZINC000533229456 1007552217 /nfs/dbraw/zinc/55/22/17/1007552217.db2.gz UYCMYNDCSXRAHQ-UHFFFAOYSA-N 0 2 419.713 3.546 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)c2cccnc12 ZINC000535506013 1007561147 /nfs/dbraw/zinc/56/11/47/1007561147.db2.gz AGFDYBKHUIQKPL-UHFFFAOYSA-N 0 2 410.446 3.834 20 0 HHADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1cc(F)ccc1OC(C)C ZINC000535616852 1007622052 /nfs/dbraw/zinc/62/20/52/1007622052.db2.gz LKAOJAHCGGVNAM-UHFFFAOYSA-N 0 2 422.478 3.771 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2cccc(C[S@](=O)C3CCCCC3)c2)c1 ZINC000539400270 1007708395 /nfs/dbraw/zinc/70/83/95/1007708395.db2.gz ATXJEUPQVORKRW-MHZLTWQESA-N 0 2 423.556 3.783 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1ccc2c(c1)COC2 ZINC000517532822 1007752089 /nfs/dbraw/zinc/75/20/89/1007752089.db2.gz NCBUFIXRLVNQJQ-UHFFFAOYSA-N 0 2 407.854 3.555 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)=N1 ZINC000539445583 1007756661 /nfs/dbraw/zinc/75/66/61/1007756661.db2.gz BRMFIJXVICFFRS-JXFKEZNVSA-N 0 2 417.387 3.564 20 0 HHADLN COc1cccc(-c2noc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)c1 ZINC000533448604 1007764501 /nfs/dbraw/zinc/76/45/01/1007764501.db2.gz ITACUMABIMHYLS-UHFFFAOYSA-N 0 2 414.468 3.670 20 0 HHADLN O=C(CCNC(=O)c1ccc2ccccc2c1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000517553391 1007765981 /nfs/dbraw/zinc/76/59/81/1007765981.db2.gz WOLQZSQDJQCXRK-UHFFFAOYSA-N 0 2 408.508 3.600 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@@H](C)c3ccc([S@@](C)=O)cc3)=N2)c1 ZINC000536010976 1008053140 /nfs/dbraw/zinc/05/31/40/1008053140.db2.gz DYLOVBHXWFFVQO-PEGYKEAPSA-N 0 2 411.527 3.930 20 0 HHADLN COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CCC[C@H](c4n[nH]c(C)n4)C3)ccc2c1 ZINC000539764116 1008079347 /nfs/dbraw/zinc/07/93/47/1008079347.db2.gz BOQQXPWBZOUWDX-KKSFZXQISA-N 0 2 421.545 3.501 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cnc3ccsc3c2)nc1C(C)C ZINC000533786021 1008108666 /nfs/dbraw/zinc/10/86/66/1008108666.db2.gz CYZLUAQHUUPRJA-UHFFFAOYSA-N 0 2 411.530 3.854 20 0 HHADLN Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000539923217 1008186609 /nfs/dbraw/zinc/18/66/09/1008186609.db2.gz SRDYLTIQTVZEEG-UHFFFAOYSA-N 0 2 403.895 3.615 20 0 HHADLN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000539931311 1008190150 /nfs/dbraw/zinc/19/01/50/1008190150.db2.gz JHEDZZPXWWSFMX-HNNXBMFYSA-N 0 2 410.236 3.556 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1ccc(I)cc1 ZINC000518280773 1008237016 /nfs/dbraw/zinc/23/70/16/1008237016.db2.gz NPSHDAMKYMCVRP-UHFFFAOYSA-N 0 2 413.265 3.545 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccs2)ns1)c1ccc(C(F)(F)F)c(F)c1 ZINC000518475899 1008321281 /nfs/dbraw/zinc/32/12/81/1008321281.db2.gz SDGUSTCIQHBNAJ-UHFFFAOYSA-N 0 2 409.411 3.647 20 0 HHADLN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1Br ZINC000518491390 1008326891 /nfs/dbraw/zinc/32/68/91/1008326891.db2.gz QYOSZZWECHVZRI-UHFFFAOYSA-N 0 2 403.685 3.862 20 0 HHADLN CC(C)Oc1ccc(S(=O)(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1 ZINC000540202165 1008334094 /nfs/dbraw/zinc/33/40/94/1008334094.db2.gz OMTUPQXICHPPAT-OAHLLOKOSA-N 0 2 409.577 3.963 20 0 HHADLN CC(C)Oc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cc1 ZINC000540203779 1008334847 /nfs/dbraw/zinc/33/48/47/1008334847.db2.gz WDZJLUKRHDVVSF-UHFFFAOYSA-N 0 2 407.492 3.856 20 0 HHADLN Cc1nc(-c2ccccc2)c(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)s1 ZINC000540205305 1008335167 /nfs/dbraw/zinc/33/51/67/1008335167.db2.gz ZKHAMOPHMPFOMH-UHFFFAOYSA-N 0 2 401.513 3.621 20 0 HHADLN CO[C@@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000518907384 1008468627 /nfs/dbraw/zinc/46/86/27/1008468627.db2.gz BPICCMIZBYUQTG-QMMMGPOBSA-N 0 2 409.316 3.829 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(CCOC)cc2)cnn1-c1cc(C)ccn1 ZINC000545473152 1008580184 /nfs/dbraw/zinc/58/01/84/1008580184.db2.gz CYBCCMJCCMBLSU-UHFFFAOYSA-N 0 2 414.531 3.518 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3ccc(F)c(C(F)(F)F)c3)c(F)cc2N1 ZINC000519201944 1008607178 /nfs/dbraw/zinc/60/71/78/1008607178.db2.gz MAFMWUZXJHUVBH-UHFFFAOYSA-N 0 2 406.332 3.669 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cc(OC)cc(OC)c2)cnn1-c1cccc(F)c1 ZINC000543162943 1008737642 /nfs/dbraw/zinc/73/76/42/1008737642.db2.gz QOSFKVHNGWJFGA-UHFFFAOYSA-N 0 2 419.478 3.782 20 0 HHADLN COCCOc1ccc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)cc1Cl ZINC000543165541 1008741648 /nfs/dbraw/zinc/74/16/48/1008741648.db2.gz GQNIFCDVFGKERC-UHFFFAOYSA-N 0 2 415.943 3.635 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cccc(OCc2cscn2)c1 ZINC000543166358 1008742051 /nfs/dbraw/zinc/74/20/51/1008742051.db2.gz PHCKOZQSFAXAGP-UHFFFAOYSA-N 0 2 420.560 3.992 20 0 HHADLN CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc3ccc(Cl)cc3n2)c1 ZINC000519466264 1008842983 /nfs/dbraw/zinc/84/29/83/1008842983.db2.gz DORFYAPCUKUDLT-UHFFFAOYSA-N 0 2 403.891 3.781 20 0 HHADLN CCn1c(-c2cccc(Cl)c2)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000549350494 1008929501 /nfs/dbraw/zinc/92/95/01/1008929501.db2.gz YLIYDSDTKJOIGR-UHFFFAOYSA-N 0 2 400.895 3.965 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2nc3c(s2)CCCC3(C)C)cn1 ZINC000519815528 1009019031 /nfs/dbraw/zinc/01/90/31/1009019031.db2.gz JIPSNNQECWXLFR-UHFFFAOYSA-N 0 2 418.544 3.752 20 0 HHADLN C[C@@H](C(F)(F)F)S(=O)(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000546093130 1009118190 /nfs/dbraw/zinc/11/81/90/1009118190.db2.gz PZWYJRKOVXXZGS-JTQLQIEISA-N 0 2 400.260 3.741 20 0 HHADLN C[C@H](C(F)(F)F)S(=O)(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000546094504 1009120351 /nfs/dbraw/zinc/12/03/51/1009120351.db2.gz KFJXKRUHASWYQN-SNVBAGLBSA-N 0 2 420.280 3.912 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)[C@H]1CCOC1 ZINC000520035848 1009193098 /nfs/dbraw/zinc/19/30/98/1009193098.db2.gz IYANZVWJRIZQBF-NSHDSACASA-N 0 2 415.298 3.769 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1NC(=O)c1ccncc1 ZINC000520037968 1009197221 /nfs/dbraw/zinc/19/72/21/1009197221.db2.gz SGSARKFGXUXHNH-UHFFFAOYSA-N 0 2 403.410 3.721 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCc3ccccc3COC(C)C)s[nH]2)c1 ZINC000543620459 1009225457 /nfs/dbraw/zinc/22/54/57/1009225457.db2.gz PSCKWTLWHKJLJL-UHFFFAOYSA-N 0 2 412.515 3.882 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](C)c3cc(F)ccc3OC)s[nH]2)c1 ZINC000543621365 1009226569 /nfs/dbraw/zinc/22/65/69/1009226569.db2.gz NIJOEQLOOLZZJX-NSHDSACASA-N 0 2 402.451 3.666 20 0 HHADLN CCn1cc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)c(=O)c2cc(Cl)ccc21 ZINC000543633028 1009237158 /nfs/dbraw/zinc/23/71/58/1009237158.db2.gz QUNXIKWCNHINIC-UHFFFAOYSA-N 0 2 410.886 3.868 20 0 HHADLN CC(C)(C)c1nnc(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)s1 ZINC000543655120 1009260587 /nfs/dbraw/zinc/26/05/87/1009260587.db2.gz BMVIOUQEAXAMEC-UHFFFAOYSA-N 0 2 408.940 3.751 20 0 HHADLN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000543656026 1009261637 /nfs/dbraw/zinc/26/16/37/1009261637.db2.gz KPZLNPMKOALFDL-CQSZACIVSA-N 0 2 402.911 3.989 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCc1ccccc1-n1ccnc1 ZINC000543656226 1009262666 /nfs/dbraw/zinc/26/26/66/1009262666.db2.gz GSGGQNLAWQRNFM-UHFFFAOYSA-N 0 2 410.890 3.788 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCc1ccc(Cn2cccn2)cc1 ZINC000543657233 1009264377 /nfs/dbraw/zinc/26/43/77/1009264377.db2.gz NMJDLHCQVXPFKI-UHFFFAOYSA-N 0 2 424.917 3.847 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(F)cc2F)nc1C1CCCC1 ZINC000543682663 1009292057 /nfs/dbraw/zinc/29/20/57/1009292057.db2.gz FZWNYMAHRJFSBF-UHFFFAOYSA-N 0 2 402.444 3.666 20 0 HHADLN COCc1ccc(S(=O)(=O)Nc2nc(C3CCCC3)c(C(=O)OC)s2)cc1 ZINC000543686116 1009294992 /nfs/dbraw/zinc/29/49/92/1009294992.db2.gz WBKIJZLPTMIBLU-UHFFFAOYSA-N 0 2 410.517 3.535 20 0 HHADLN Cn1cncc1CCC(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000549695763 1009325081 /nfs/dbraw/zinc/32/50/81/1009325081.db2.gz OWSUNYUPTDRKAL-UHFFFAOYSA-N 0 2 405.483 3.724 20 0 HHADLN CCOc1nc(C)ccc1C(=O)NCC[C@@H]1C(=O)N(Cc2ccccc2C)N=C1CC ZINC000549721286 1009348117 /nfs/dbraw/zinc/34/81/17/1009348117.db2.gz WDBXCXFQZBQTIL-IBGZPJMESA-N 0 2 422.529 3.642 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000549732845 1009355454 /nfs/dbraw/zinc/35/54/54/1009355454.db2.gz UKJVCBUCHMJSAJ-LLVKDONJSA-N 0 2 401.264 3.990 20 0 HHADLN CC(C)[C@H]1C[C@H](CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCO1 ZINC000543788126 1009356916 /nfs/dbraw/zinc/35/69/16/1009356916.db2.gz WOUFQPXGBPKEAV-RHSMWYFYSA-N 0 2 423.560 3.724 20 0 HHADLN CC(C)[C@@H]1C[C@@H](CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCO1 ZINC000543788128 1009357594 /nfs/dbraw/zinc/35/75/94/1009357594.db2.gz WOUFQPXGBPKEAV-YOEHRIQHSA-N 0 2 423.560 3.724 20 0 HHADLN O=S(=O)(Nc1nnc(CC2CCCCC2)s1)c1ccc(C(F)(F)F)nc1 ZINC000543860183 1009427385 /nfs/dbraw/zinc/42/73/85/1009427385.db2.gz SKGKYGISXFNLQO-UHFFFAOYSA-N 0 2 406.455 3.876 20 0 HHADLN COC(=O)[C@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1cccs1 ZINC000520363298 1009500408 /nfs/dbraw/zinc/50/04/08/1009500408.db2.gz GSPSNZHNBXDRSD-GFCCVEGCSA-N 0 2 413.826 3.613 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000546539238 1009561197 /nfs/dbraw/zinc/56/11/97/1009561197.db2.gz WIHSAIAGEGHROK-UHFFFAOYSA-N 0 2 400.456 3.700 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(-c3ccccc3F)s2)cc1F ZINC000549990514 1009591107 /nfs/dbraw/zinc/59/11/07/1009591107.db2.gz BDZKYOFFCKDICM-UHFFFAOYSA-N 0 2 410.423 3.676 20 0 HHADLN CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ncc(-c4ccccc4F)s3)cc21 ZINC000549991761 1009591897 /nfs/dbraw/zinc/59/18/97/1009591897.db2.gz NIMVOTLPBWQSDW-UHFFFAOYSA-N 0 2 417.487 3.980 20 0 HHADLN NC(=O)CCSc1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000520500879 1009596137 /nfs/dbraw/zinc/59/61/37/1009596137.db2.gz JFSVNYAUMAOBLG-UHFFFAOYSA-N 0 2 411.357 3.823 20 0 HHADLN Cc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c(C)n1Cc1ccncc1 ZINC000546578825 1009602301 /nfs/dbraw/zinc/60/23/01/1009602301.db2.gz WXFNTOJJSKAKBD-UHFFFAOYSA-N 0 2 407.499 3.531 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1c(-c2ccncc2)nc2ccccn21 ZINC000544078946 1009684140 /nfs/dbraw/zinc/68/41/40/1009684140.db2.gz DJNZIDSLRLLFOU-UHFFFAOYSA-N 0 2 424.530 3.666 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1c(-c2ccncc2)[nH+]c2ccccn21 ZINC000544078946 1009684147 /nfs/dbraw/zinc/68/41/47/1009684147.db2.gz DJNZIDSLRLLFOU-UHFFFAOYSA-N 0 2 424.530 3.666 20 0 HHADLN CCOC(=O)c1cc(NS(=O)(=O)c2ccnn2C)ccc1Sc1ccccc1 ZINC000544098545 1009708169 /nfs/dbraw/zinc/70/81/69/1009708169.db2.gz JUUPQSDUXMIEFM-UHFFFAOYSA-N 0 2 417.512 3.549 20 0 HHADLN O=S(=O)([N-]c1ccnn1-c1cccc(Cl)c1)c1ccccc1Cn1cc[nH+]c1 ZINC000546795614 1009761567 /nfs/dbraw/zinc/76/15/67/1009761567.db2.gz ZRJKRICNSDWHCU-UHFFFAOYSA-N 0 2 413.890 3.571 20 0 HHADLN CCOc1ccccc1Oc1ccc(CNS(=O)(=O)[C@@H](C)C(F)(F)F)cn1 ZINC000546799967 1009765450 /nfs/dbraw/zinc/76/54/50/1009765450.db2.gz ZCVGUKCRVQOIRW-LBPRGKRZSA-N 0 2 404.410 3.643 20 0 HHADLN Cc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2O)cc1C ZINC000546857386 1009819111 /nfs/dbraw/zinc/81/91/11/1009819111.db2.gz CQAPBEDEYCGLMO-UHFFFAOYSA-N 0 2 417.314 3.623 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1NC(=O)c1ccncc1 ZINC000520767964 1009836747 /nfs/dbraw/zinc/83/67/47/1009836747.db2.gz LDNMXLPHQACJQR-UHFFFAOYSA-N 0 2 421.400 3.860 20 0 HHADLN CCCS(=O)(=O)c1ccccc1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000520967033 1010011032 /nfs/dbraw/zinc/01/10/32/1010011032.db2.gz ZUAJWTKRUZEOCY-UHFFFAOYSA-N 0 2 421.931 3.716 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cccc(-n2cccn2)c1 ZINC000520982413 1010022349 /nfs/dbraw/zinc/02/23/49/1010022349.db2.gz IMQSKNYHSSWMGM-UHFFFAOYSA-N 0 2 413.480 3.674 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)C1CCC(OC[C@H]2CCCO2)CC1 ZINC000550571546 1010035488 /nfs/dbraw/zinc/03/54/88/1010035488.db2.gz DLPACYXNJXZLAW-YMAMQOFZSA-N 0 2 421.950 3.973 20 0 HHADLN Cc1cccc(-c2cnc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)s2)c1 ZINC000521105215 1010125757 /nfs/dbraw/zinc/12/57/57/1010125757.db2.gz FPDDUQZPASLXMF-UHFFFAOYSA-N 0 2 417.487 3.943 20 0 HHADLN CN(C(=O)C1=NN(c2ccc(F)cc2)CC1=O)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000544573711 1010202484 /nfs/dbraw/zinc/20/24/84/1010202484.db2.gz UENGERNYQPDFTL-QUCCMNQESA-N 0 2 413.424 3.848 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCSC[C@H]3c3ccccc3)s[nH]2)c1 ZINC000544591223 1010217228 /nfs/dbraw/zinc/21/72/28/1010217228.db2.gz SUTQAZHTUQPGRA-KRWDZBQOSA-N 0 2 412.540 3.958 20 0 HHADLN C[C@H](O)C[C@@H](CNC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccccc1 ZINC000544637270 1010261698 /nfs/dbraw/zinc/26/16/98/1010261698.db2.gz BYGVNZJFIOELKM-ZFWWWQNUSA-N 0 2 416.934 3.957 20 0 HHADLN CCc1ccc([C@H](COC)NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)o1 ZINC000544638951 1010263962 /nfs/dbraw/zinc/26/39/62/1010263962.db2.gz VYNYBRNXAYJGLP-AWEZNQCLSA-N 0 2 406.895 3.945 20 0 HHADLN Cn1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c(C(F)(F)F)n1 ZINC000544684471 1010297534 /nfs/dbraw/zinc/29/75/34/1010297534.db2.gz HHUHHWICEAVLFS-UHFFFAOYSA-N 0 2 407.723 3.912 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(F)cc2)s1)c1cc(Cl)ccc1F ZINC000551019749 1010321096 /nfs/dbraw/zinc/32/10/96/1010321096.db2.gz BFYDHEZRUNRGRG-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN C[C@@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)Sc1ccc(Br)cc1 ZINC000544720992 1010328775 /nfs/dbraw/zinc/32/87/75/1010328775.db2.gz GWTYUQOUEIPZMX-IUCAKERBSA-N 0 2 406.289 3.800 20 0 HHADLN O=S(=O)(Nc1ccc(SCc2cccnc2)cc1)c1cnn(CC(F)F)c1 ZINC000547629381 1010371243 /nfs/dbraw/zinc/37/12/43/1010371243.db2.gz ZOLLRGUWBRMJAU-UHFFFAOYSA-N 0 2 410.471 3.636 20 0 HHADLN Cc1ccccc1-n1nc(C(C)(C)C)cc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000547629795 1010371403 /nfs/dbraw/zinc/37/14/03/1010371403.db2.gz DMAICDHAVIVMRK-UHFFFAOYSA-N 0 2 423.489 3.741 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CC[C@H](OCc4ccncc4)C3)=N2)c1 ZINC000551192945 1010430226 /nfs/dbraw/zinc/43/02/26/1010430226.db2.gz KMGLQVLCFSTFBJ-FQEVSTJZSA-N 0 2 406.486 3.528 20 0 HHADLN CNC(=O)COc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000521526574 1010438764 /nfs/dbraw/zinc/43/87/64/1010438764.db2.gz XJAHNANLXFLINI-UHFFFAOYSA-N 0 2 423.705 3.572 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)c(F)c1 ZINC000521527419 1010440271 /nfs/dbraw/zinc/44/02/71/1010440271.db2.gz UEGLYDMVLRCZFK-UHFFFAOYSA-N 0 2 412.486 3.907 20 0 HHADLN Cc1ccnc2c1cccc2S(=O)(=O)[N-]c1ccccc1OCCn1cc[nH+]c1 ZINC000547954355 1010481075 /nfs/dbraw/zinc/48/10/75/1010481075.db2.gz AUHSULHHWUDTTO-UHFFFAOYSA-N 0 2 408.483 3.620 20 0 HHADLN O=C1Nc2ccc(S(=O)(=O)Nc3ccnn3Cc3ccccc3F)c3cccc1c23 ZINC000521590603 1010487702 /nfs/dbraw/zinc/48/77/02/1010487702.db2.gz QXWUDRXBGNBBGA-UHFFFAOYSA-N 0 2 422.441 3.590 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc3cc[nH]c32)c(Br)c1 ZINC000548149972 1010545927 /nfs/dbraw/zinc/54/59/27/1010545927.db2.gz SSPCJFBMPGEISV-UHFFFAOYSA-N 0 2 423.288 3.908 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3ccc(Cl)c(F)c3Cl)o2)cc1 ZINC000551385469 1010552875 /nfs/dbraw/zinc/55/28/75/1010552875.db2.gz NLERVBIFJVIDAV-UHFFFAOYSA-N 0 2 418.233 3.992 20 0 HHADLN O=S(=O)(Nc1nsc(-c2ccccc2)n1)c1ccc(F)c(Br)c1 ZINC000551386669 1010554309 /nfs/dbraw/zinc/55/43/09/1010554309.db2.gz SRWJPHDUWMJWJM-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN O=C([O-])[C@@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)c1c(F)cccc1F ZINC000551420662 1010576669 /nfs/dbraw/zinc/57/66/69/1010576669.db2.gz KDDQNKRQVNLSFO-KRWDZBQOSA-N 0 2 422.229 3.829 20 0 HHADLN CC(C)c1nc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)no1 ZINC000548279784 1010578554 /nfs/dbraw/zinc/57/85/54/1010578554.db2.gz CTGFQBUNDXNWAU-CYBMUJFWSA-N 0 2 415.899 3.595 20 0 HHADLN O=C(Nc1cccc2cc[nH]c21)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O ZINC000548476372 1010638624 /nfs/dbraw/zinc/63/86/24/1010638624.db2.gz AMIIJYSWPSNSTL-UHFFFAOYSA-N 0 2 421.478 3.604 20 0 HHADLN O=C1CCc2cc(Br)c(S(=O)(=O)Nc3cccc4cc[nH]c43)cc2N1 ZINC000548477680 1010639241 /nfs/dbraw/zinc/63/92/41/1010639241.db2.gz CBPDPHVORIWLTJ-UHFFFAOYSA-N 0 2 420.288 3.616 20 0 HHADLN CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cnn(-c4ccc(Cl)cc4)c3)cc21 ZINC000548477722 1010639386 /nfs/dbraw/zinc/63/93/86/1010639386.db2.gz DRMIBKDGXPGGBL-UHFFFAOYSA-N 0 2 416.890 3.556 20 0 HHADLN Cn1ccnc1SCc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)o1 ZINC000522240248 1010883499 /nfs/dbraw/zinc/88/34/99/1010883499.db2.gz RJIDAPAHUAXNAT-UHFFFAOYSA-N 0 2 414.878 3.996 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000522528709 1011064851 /nfs/dbraw/zinc/06/48/51/1011064851.db2.gz KJYARSGHPOKOHR-AREMUKBSSA-N 0 2 411.593 3.929 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1C ZINC000522900215 1011345576 /nfs/dbraw/zinc/34/55/76/1011345576.db2.gz HZYAMJNQPYNANQ-UHFFFAOYSA-N 0 2 421.526 3.999 20 0 HHADLN O=S(=O)(Nc1ccc(OCC2CCOCC2)cc1)c1cc(F)c(F)cc1F ZINC000522956772 1011403377 /nfs/dbraw/zinc/40/33/77/1011403377.db2.gz HYQWCIXKMAOAIH-UHFFFAOYSA-N 0 2 401.406 3.710 20 0 HHADLN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c2cccnc12 ZINC000536248756 1011404410 /nfs/dbraw/zinc/40/44/10/1011404410.db2.gz PQTWLCAUHPIPFS-GOSISDBHSA-N 0 2 419.510 3.854 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)[C@@H]1COc2ccc(Br)cc21 ZINC000536308839 1011501603 /nfs/dbraw/zinc/50/16/03/1011501603.db2.gz RNCBQYPIGBVIQQ-SNVBAGLBSA-N 0 2 421.201 3.627 20 0 HHADLN C[C@@H](CNC(=O)N=c1nc(-c2ccccc2)[nH]s1)c1nc(-c2ccccc2)no1 ZINC000536330154 1011529241 /nfs/dbraw/zinc/52/92/41/1011529241.db2.gz RIFYQERNWUCCFW-ZDUSSCGKSA-N 0 2 406.471 3.602 20 0 HHADLN CC(C)c1nc(NS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)no1 ZINC000540895688 1011569818 /nfs/dbraw/zinc/56/98/18/1011569818.db2.gz JHXQQGRGUAUQLA-UHFFFAOYSA-N 0 2 414.203 3.775 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)ccc1F ZINC000523121360 1011586879 /nfs/dbraw/zinc/58/68/79/1011586879.db2.gz YTUFVJNVQQDWGR-UHFFFAOYSA-N 0 2 423.466 3.771 20 0 HHADLN Cn1nc2c(c1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCC2 ZINC000536420973 1011637353 /nfs/dbraw/zinc/63/73/53/1011637353.db2.gz LNBKCSUGMFLDAW-UHFFFAOYSA-N 0 2 413.343 3.747 20 0 HHADLN O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1cnn(-c2ccccc2F)c1 ZINC000536464838 1011683543 /nfs/dbraw/zinc/68/35/43/1011683543.db2.gz QGIJHWOUJBTGSX-UHFFFAOYSA-N 0 2 408.458 3.798 20 0 HHADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccccc2Oc2ccncc2)c1 ZINC000541072617 1011712651 /nfs/dbraw/zinc/71/26/51/1011712651.db2.gz CTXNWONQYDBFJR-UHFFFAOYSA-N 0 2 402.403 3.600 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(NC(=O)CC)cc2)cnn1-c1ccccc1 ZINC000541163970 1011831074 /nfs/dbraw/zinc/83/10/74/1011831074.db2.gz BJVNHPUPQSSYFM-UHFFFAOYSA-N 0 2 412.515 3.974 20 0 HHADLN Cc1n[nH]c2cc(NS(=O)(=O)c3cc(Br)c(F)cc3F)ccc12 ZINC000536700269 1011868919 /nfs/dbraw/zinc/86/89/19/1011868919.db2.gz PPDQEULESQWIOY-UHFFFAOYSA-N 0 2 402.220 3.713 20 0 HHADLN Cc1[nH]nc2cc(NS(=O)(=O)c3cc(Br)c(F)cc3F)ccc12 ZINC000536700269 1011868938 /nfs/dbraw/zinc/86/89/38/1011868938.db2.gz PPDQEULESQWIOY-UHFFFAOYSA-N 0 2 402.220 3.713 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1nnc(Cc2ccc(C)cc2)s1 ZINC000541290175 1011988720 /nfs/dbraw/zinc/98/87/20/1011988720.db2.gz XYYNDBXNLKXHOW-UHFFFAOYSA-N 0 2 419.576 3.707 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cc(NC(=O)C(C)C)ccc1C ZINC000541305641 1012010490 /nfs/dbraw/zinc/01/04/90/1012010490.db2.gz OEFKXEUPPVMTIF-UHFFFAOYSA-N 0 2 406.552 3.860 20 0 HHADLN CC(C)n1nnnc1-c1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000541306378 1012012160 /nfs/dbraw/zinc/01/21/60/1012012160.db2.gz JJJUFDFRGSKLPP-UHFFFAOYSA-N 0 2 411.409 3.741 20 0 HHADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000541306286 1012012644 /nfs/dbraw/zinc/01/26/44/1012012644.db2.gz JTVZDJQRVHBJAF-UHFFFAOYSA-N 0 2 419.833 3.993 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)nn1[C@H](C)C1CC1 ZINC000541307822 1012015295 /nfs/dbraw/zinc/01/52/95/1012015295.db2.gz UDAAUJLLYWFXTQ-GFCCVEGCSA-N 0 2 403.426 3.904 20 0 HHADLN Cc1cnn(-c2ccc(NS(=O)(=O)c3c(C)nn(CC(C)C)c3C)cc2F)c1 ZINC000541307478 1012015331 /nfs/dbraw/zinc/01/53/31/1012015331.db2.gz VRDUQORRMGFSIV-UHFFFAOYSA-N 0 2 405.499 3.590 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)C(C)(C)c1c(C)noc1C ZINC000551917541 1012024749 /nfs/dbraw/zinc/02/47/49/1012024749.db2.gz VLRKWYBKFJEUJG-IBGZPJMESA-N 0 2 424.545 3.808 20 0 HHADLN Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552287969 1012300551 /nfs/dbraw/zinc/30/05/51/1012300551.db2.gz WXBSVJOGGHBWIA-UHFFFAOYSA-N 0 2 422.876 3.814 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000523727214 1012342211 /nfs/dbraw/zinc/34/22/11/1012342211.db2.gz IINYPFWJJFXJNS-QGZVFWFLSA-N 0 2 403.508 3.609 20 0 HHADLN COC(=O)CCSc1ncccc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000541589338 1012381903 /nfs/dbraw/zinc/38/19/03/1012381903.db2.gz KGQNLIIAWLAPBW-UHFFFAOYSA-N 0 2 420.434 3.556 20 0 HHADLN Cc1ccc(-c2ccncc2)cc1NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000523874021 1012570630 /nfs/dbraw/zinc/57/06/30/1012570630.db2.gz FCJYSJCLRJFSTA-UHFFFAOYSA-N 0 2 411.458 3.882 20 0 HHADLN CCc1ccc(-n2nc(C(=O)Nc3cccc(-c4n[nH]c(=O)[nH]4)c3)c3c2CCC3)cc1 ZINC000552581708 1012587214 /nfs/dbraw/zinc/58/72/14/1012587214.db2.gz GESIBPJNGRDHFU-UHFFFAOYSA-N 0 2 414.469 3.666 20 0 HHADLN Cc1c(C[S@](C)=O)cccc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000523893394 1012598950 /nfs/dbraw/zinc/59/89/50/1012598950.db2.gz JUMHSBLFLAKTKW-QFIPXVFZSA-N 0 2 420.325 3.576 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C)Cc3cc(C)c(OC)c(C)c3)s[nH]2)c1 ZINC000541760710 1012621867 /nfs/dbraw/zinc/62/18/67/1012621867.db2.gz KPZOLLYFXZEWLX-UHFFFAOYSA-N 0 2 412.515 3.925 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C)Cc3cc(Cl)ccc3OC)s[nH]2)c1 ZINC000541763912 1012627564 /nfs/dbraw/zinc/62/75/64/1012627564.db2.gz BWMIMYHJBPLCKL-UHFFFAOYSA-N 0 2 418.906 3.962 20 0 HHADLN O=S(=O)(Nc1cncc2ccccc21)c1cc(Br)cc2c1OCC2 ZINC000541786945 1012658194 /nfs/dbraw/zinc/65/81/94/1012658194.db2.gz FRLJEEFHLKNBSP-UHFFFAOYSA-N 0 2 405.273 3.733 20 0 HHADLN CCc1ccc([C@H](CO)NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1 ZINC000541797163 1012673838 /nfs/dbraw/zinc/67/38/38/1012673838.db2.gz QEGJFSDSMIJVFJ-INIZCTEOSA-N 0 2 402.907 3.698 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3cccc(C)c3Cl)s2)c1 ZINC000537261700 1012711682 /nfs/dbraw/zinc/71/16/82/1012711682.db2.gz AKXQJFYCUJLZTR-UHFFFAOYSA-N 0 2 409.920 3.900 20 0 HHADLN CNC(=O)Nc1cccc(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1 ZINC000524147191 1012934658 /nfs/dbraw/zinc/93/46/58/1012934658.db2.gz YALIWKNZPAJQGI-UHFFFAOYSA-N 0 2 407.801 3.911 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CC3=CCCCC3)cc2)nc(C)n1 ZINC000553040249 1013014195 /nfs/dbraw/zinc/01/41/95/1013014195.db2.gz VIDKJLSGPXAMGA-UHFFFAOYSA-N 0 2 400.504 3.723 20 0 HHADLN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Oc3cccnc3)nc2)c1 ZINC000760269392 1071815305 /nfs/dbraw/zinc/81/53/05/1071815305.db2.gz RGOZAHQXEFCLJP-UHFFFAOYSA-N 0 2 403.847 3.926 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cccc(Br)c2C)c(OC)c1 ZINC000488219644 1072134230 /nfs/dbraw/zinc/13/42/30/1072134230.db2.gz MJRVYKPULWJXMT-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)c(OC)c1 ZINC000488222647 1072144643 /nfs/dbraw/zinc/14/46/43/1072144643.db2.gz YKGRXBBDLGIMJO-UHFFFAOYSA-N 0 2 418.471 3.785 20 0 HHADLN COC(=O)CCCc1csc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)n1 ZINC000760318911 1072242732 /nfs/dbraw/zinc/24/27/32/1072242732.db2.gz VTHJHNKZZKFDEZ-UHFFFAOYSA-N 0 2 406.888 3.541 20 0 HHADLN CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2sc(C)nc2CC(C)C)cc1 ZINC000570478120 1072248432 /nfs/dbraw/zinc/24/84/32/1072248432.db2.gz BOJVLRLBUVQIHE-UHFFFAOYSA-N 0 2 416.590 3.635 20 0 HHADLN COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)C(C)(C)NC(=O)C(F)(F)F)C1 ZINC000760366267 1072295641 /nfs/dbraw/zinc/29/56/41/1072295641.db2.gz CJCDIEXAYLSMAH-LBPRGKRZSA-N 0 2 420.859 3.587 20 0 HHADLN O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001126789394 1072462233 /nfs/dbraw/zinc/46/22/33/1072462233.db2.gz SKUFOCSGYPZNGR-VHSXEESVSA-N 0 2 400.319 3.557 20 0 HHADLN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccccc3)c(C)n2)cc1 ZINC000571100901 1072564106 /nfs/dbraw/zinc/56/41/06/1072564106.db2.gz JDKAZABMHOEFTD-UHFFFAOYSA-N 0 2 416.524 3.651 20 0 HHADLN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000479127140 1072736279 /nfs/dbraw/zinc/73/62/79/1072736279.db2.gz ZTCOZIZYHAIUJW-JTQLQIEISA-N 0 2 402.289 3.865 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000479129471 1072738666 /nfs/dbraw/zinc/73/86/66/1072738666.db2.gz LOBKZCQUVMUHGZ-UHFFFAOYSA-N 0 2 423.541 3.648 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2c(C)c(C)nn2-c2ccc(Cl)cc2)cn1 ZINC000479134216 1072743984 /nfs/dbraw/zinc/74/39/84/1072743984.db2.gz FQKALCAJIOFLOV-UHFFFAOYSA-N 0 2 406.895 3.737 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c(N(C)C)c1 ZINC000479120172 1072757108 /nfs/dbraw/zinc/75/71/08/1072757108.db2.gz LMXLTLSILPWRNF-UHFFFAOYSA-N 0 2 403.287 3.647 20 0 HHADLN CCC[C@@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)OC)c(C)o3)c2C1 ZINC000479140947 1072762645 /nfs/dbraw/zinc/76/26/45/1072762645.db2.gz DTNJDLIEHOOWJI-CYBMUJFWSA-N 0 2 406.504 3.680 20 0 HHADLN CCC[C@@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)OC)c(C)o3)c2C1 ZINC000479140947 1072762655 /nfs/dbraw/zinc/76/26/55/1072762655.db2.gz DTNJDLIEHOOWJI-CYBMUJFWSA-N 0 2 406.504 3.680 20 0 HHADLN Cc1cc(C2CC2)nc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)n1 ZINC000479141606 1072764458 /nfs/dbraw/zinc/76/44/58/1072764458.db2.gz ZQTFZMYHKGQLDT-ZDUSSCGKSA-N 0 2 423.922 3.532 20 0 HHADLN O=S(=O)(Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccc2c(c1)OCO2 ZINC000479147425 1072768398 /nfs/dbraw/zinc/76/83/98/1072768398.db2.gz JYKLNMVVWOQRJZ-UHFFFAOYSA-N 0 2 413.839 3.527 20 0 HHADLN Cc1cnn([C@@H]2CCN(Cc3nc(=O)c4sc(-c5ccc(F)cc5)cc4[nH]3)C2)c1 ZINC000572411717 1073254307 /nfs/dbraw/zinc/25/43/07/1073254307.db2.gz ABTKEHQWHCFHCE-MRXNPFEDSA-N 0 2 409.490 3.743 20 0 HHADLN Cc1cnn([C@@H]2CC[N@H+](Cc3nc(=O)c4sc(-c5ccc(F)cc5)cc4[n-]3)C2)c1 ZINC000572411717 1073254314 /nfs/dbraw/zinc/25/43/14/1073254314.db2.gz ABTKEHQWHCFHCE-MRXNPFEDSA-N 0 2 409.490 3.743 20 0 HHADLN Cc1cnn([C@@H]2CC[N@@H+](Cc3nc(=O)c4sc(-c5ccc(F)cc5)cc4[n-]3)C2)c1 ZINC000572411717 1073254322 /nfs/dbraw/zinc/25/43/22/1073254322.db2.gz ABTKEHQWHCFHCE-MRXNPFEDSA-N 0 2 409.490 3.743 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2C2CC2)cc1Cl ZINC000588853848 1073308231 /nfs/dbraw/zinc/30/82/31/1073308231.db2.gz OGCPHRFGKUOHOM-UHFFFAOYSA-N 0 2 411.911 3.657 20 0 HHADLN CC(C)c1nc(C(=O)N=c2nc(C(C)(C)C)[nH]s2)nn1-c1ccccc1Cl ZINC000589937711 1073422456 /nfs/dbraw/zinc/42/24/56/1073422456.db2.gz RZPGCLHOYOPGBP-UHFFFAOYSA-N 0 2 404.927 3.867 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc43)C2)s[nH]1 ZINC000589937613 1073422537 /nfs/dbraw/zinc/42/25/37/1073422537.db2.gz UWKCOZLTMTVDNV-INIZCTEOSA-N 0 2 422.554 3.902 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(OCC(F)(F)F)c2C)c(F)c1 ZINC000589939684 1073425125 /nfs/dbraw/zinc/42/51/25/1073425125.db2.gz KPKYZNNDOBOPQR-UHFFFAOYSA-N 0 2 420.384 3.834 20 0 HHADLN CCOc1ncccc1NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1 ZINC000590030092 1073484964 /nfs/dbraw/zinc/48/49/64/1073484964.db2.gz WHPOFRJHUNTJEI-UHFFFAOYSA-N 0 2 422.400 3.698 20 0 HHADLN O=C(CCNC(=O)c1ccc2ccccc2c1)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000590405318 1073789936 /nfs/dbraw/zinc/78/99/36/1073789936.db2.gz ZEQFTRZKZXXONK-UHFFFAOYSA-N 0 2 403.417 3.523 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)C1CCC(OC[C@H]2CCCO2)CC1 ZINC000556028415 1074052254 /nfs/dbraw/zinc/05/22/54/1074052254.db2.gz MZQYHKLKVHWBBR-QWFMPGPPSA-N 0 2 421.950 3.973 20 0 HHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2nnc([C@@H]3Cc4ccccc4O3)o2)s1 ZINC000556037441 1074057801 /nfs/dbraw/zinc/05/78/01/1074057801.db2.gz RJJDEGIPANBFDS-ZDUSSCGKSA-N 0 2 405.501 3.906 20 0 HHADLN CC1CC[NH+](Cc2csc(NC(=O)c3nn(-c4ccccc4F)cc3[O-])n2)CC1 ZINC000591095419 1074108928 /nfs/dbraw/zinc/10/89/28/1074108928.db2.gz LOADSCPGZBDONN-UHFFFAOYSA-N 0 2 415.494 3.658 20 0 HHADLN O=C(NCc1ccc(-c2nc(-c3cccc(Br)c3)no2)o1)C(F)(F)F ZINC000904292559 1074191501 /nfs/dbraw/zinc/19/15/01/1074191501.db2.gz MSBJVHHQENPCCJ-UHFFFAOYSA-N 0 2 416.153 3.938 20 0 HHADLN N=C1NC(=O)[C@@H](CC(=O)NCc2ccccc2-c2ccc(Cl)cc2Cl)S1 ZINC000760881293 1074481045 /nfs/dbraw/zinc/48/10/45/1074481045.db2.gz QBBPJDQTRJUVCJ-OAHLLOKOSA-N 0 2 408.310 3.833 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2OCC(F)F)cs1 ZINC000573476779 1074523314 /nfs/dbraw/zinc/52/33/14/1074523314.db2.gz AWBVBXDXWXHFLS-UHFFFAOYSA-N 0 2 411.835 3.633 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccnn2CCC(C)C)c(Br)c1 ZINC000573507925 1074534456 /nfs/dbraw/zinc/53/44/56/1074534456.db2.gz GHQAFSMCIBLKAQ-UHFFFAOYSA-N 0 2 402.314 3.501 20 0 HHADLN COc1cc(C)cc(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)c1O ZINC000592830876 1075116815 /nfs/dbraw/zinc/11/68/15/1075116815.db2.gz VXMIWWFVVUBNIM-UHFFFAOYSA-N 0 2 403.236 3.509 20 0 HHADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3cccc(Br)c3)o2)c(C)c1 ZINC000574633078 1075305301 /nfs/dbraw/zinc/30/53/01/1075305301.db2.gz OVWAGFSDILWECV-UHFFFAOYSA-N 0 2 408.277 3.917 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2nnc(-c3cccc4ccccc43)o2)ccc1C ZINC000575126018 1075469973 /nfs/dbraw/zinc/46/99/73/1075469973.db2.gz TWEFHGYAZABARV-UHFFFAOYSA-N 0 2 422.466 3.957 20 0 HHADLN CC(=O)c1cccc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)c1 ZINC000596534489 1075567899 /nfs/dbraw/zinc/56/78/99/1075567899.db2.gz DUENOALSCOZQKP-UHFFFAOYSA-N 0 2 407.854 3.727 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000596905041 1075598230 /nfs/dbraw/zinc/59/82/30/1075598230.db2.gz VEHJFFMIZBSKQQ-UHFFFAOYSA-N 0 2 404.904 3.721 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000596904460 1075598306 /nfs/dbraw/zinc/59/83/06/1075598306.db2.gz DYHGPYGSMCDCDN-UHFFFAOYSA-N 0 2 413.524 3.910 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)sc1C(F)(F)F ZINC000669606909 1075640557 /nfs/dbraw/zinc/64/05/57/1075640557.db2.gz RUGZWCKOPUTVDV-UHFFFAOYSA-N 0 2 405.423 3.501 20 0 HHADLN CCN(CC)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1Cl)c2=O ZINC000302791458 971319076 /nfs/dbraw/zinc/31/90/76/971319076.db2.gz FRSVQBLUDWNLNX-UHFFFAOYSA-N 0 2 401.919 3.869 20 0 HHADLN Cn1c(=O)c2ccc(C(=O)O[C@@H](c3cccc(F)c3)c3ccccn3)cc2[nH]c1=S ZINC000303136834 971522602 /nfs/dbraw/zinc/52/26/02/971522602.db2.gz AKPYBPCOTTXHEW-IBGZPJMESA-N 0 2 421.453 3.703 20 0 HHADLN O=C(Nc1nnc(-c2ccsc2)s1)c1sccc1S(=O)(=O)C(F)F ZINC000303329256 971634167 /nfs/dbraw/zinc/63/41/67/971634167.db2.gz WCCGHICJQWBLHG-UHFFFAOYSA-N 0 2 407.470 3.577 20 0 HHADLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)c(Cl)c1 ZINC000303353515 971652304 /nfs/dbraw/zinc/65/23/04/971652304.db2.gz HRNAUYYOZQPLTO-UHFFFAOYSA-N 0 2 417.821 3.927 20 0 HHADLN Cc1cccc(Cn2nccc2NS(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000524297666 1013109013 /nfs/dbraw/zinc/10/90/13/1013109013.db2.gz QHZOYVPWVDAXQI-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN C[C@@H]1CN(Cc2csc(NS(=O)(=O)c3ccc4ccccc4c3)n2)C[C@@H](C)O1 ZINC000524298581 1013111008 /nfs/dbraw/zinc/11/10/08/1013111008.db2.gz RFFCSNJJKWAMQN-HUUCEWRRSA-N 0 2 417.556 3.706 20 0 HHADLN Cc1ccnn1-c1ccccc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000542237528 1013196683 /nfs/dbraw/zinc/19/66/83/1013196683.db2.gz ZWQKQJUHJGUXCR-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc(C(C)C)cs2)s1 ZINC000537652117 1013213819 /nfs/dbraw/zinc/21/38/19/1013213819.db2.gz OMFSLQNBNIAKAW-UHFFFAOYSA-N 0 2 415.606 3.834 20 0 HHADLN COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccc(F)c(F)c3)n2)c1 ZINC000007051087 960993514 /nfs/dbraw/zinc/99/35/14/960993514.db2.gz ODASMSQFXXUFMR-UHFFFAOYSA-N 0 2 412.439 3.906 20 0 HHADLN COC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccccc1Cl ZINC000007051059 960993732 /nfs/dbraw/zinc/99/37/32/960993732.db2.gz FRFORMNAIQAOGH-UHFFFAOYSA-N 0 2 404.669 3.690 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)c(C)c1 ZINC000537738719 1013299841 /nfs/dbraw/zinc/29/98/41/1013299841.db2.gz GEVGUYXNMSPFPO-UHFFFAOYSA-N 0 2 424.588 3.961 20 0 HHADLN Cc1ccccc1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000011516709 962111214 /nfs/dbraw/zinc/11/12/14/962111214.db2.gz DIZIAGGVWHZTGH-UHFFFAOYSA-N 0 2 405.479 3.565 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)Nc3cccc(C)c3)c2)cc1 ZINC000014052537 962412329 /nfs/dbraw/zinc/41/23/29/962412329.db2.gz XZDVEVXHAFZVPS-UHFFFAOYSA-N 0 2 412.467 3.762 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(C2SCCS2)cc1 ZINC000014371436 962488495 /nfs/dbraw/zinc/48/84/95/962488495.db2.gz ZEYIQXWAUBFCES-UHFFFAOYSA-N 0 2 403.554 3.735 20 0 HHADLN Cc1c(=O)c2cccc(C(=O)Nn3cnc4ccccc4c3=O)c2oc1-c1ccccc1 ZINC000014604439 962538320 /nfs/dbraw/zinc/53/83/20/962538320.db2.gz UMSGZOSOSDHBHG-UHFFFAOYSA-N 0 2 423.428 3.862 20 0 HHADLN O=S(=O)(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(Cl)c1Cl ZINC000016100850 962943174 /nfs/dbraw/zinc/94/31/74/962943174.db2.gz LCWATZNMNGXJIO-UHFFFAOYSA-N 0 2 416.254 3.791 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N[C@H](CC)c3ccc(OC)cc3)cc2[nH]c1=S ZINC000018131804 963274529 /nfs/dbraw/zinc/27/45/29/963274529.db2.gz RQQGBGLIZLIEOP-GOSISDBHSA-N 0 2 409.511 3.761 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N[C@@H](CC)c3ccc(OC)cc3)cc2[nH]c1=S ZINC000018131805 963274743 /nfs/dbraw/zinc/27/47/43/963274743.db2.gz RQQGBGLIZLIEOP-SFHVURJKSA-N 0 2 409.511 3.761 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NCCSCc3ccccc3F)cc2[nH]c1=S ZINC000018160759 963281585 /nfs/dbraw/zinc/28/15/85/963281585.db2.gz UVAKPDYAHRNGQC-UHFFFAOYSA-N 0 2 417.531 3.507 20 0 HHADLN COc1ccccc1C/N=C1\NC(=O)C(CC(=O)Nc2ccc3ccccc3c2)S1 ZINC000021861984 963550641 /nfs/dbraw/zinc/55/06/41/963550641.db2.gz KMDCXNYRGTVYRH-FQEVSTJZSA-N 0 2 419.506 3.965 20 0 HHADLN CCC[C@H](C)N1Cc2cccc(NS(=O)(=O)c3cnc4c(c3)c(C)nn4C)c2C1 ZINC000542517321 1013459887 /nfs/dbraw/zinc/45/98/87/1013459887.db2.gz BOJLOXHXCIDVQP-AWEZNQCLSA-N 0 2 413.547 3.582 20 0 HHADLN CCC[C@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cnc4c(c3)c(C)nn4C)c2C1 ZINC000542517321 1013459891 /nfs/dbraw/zinc/45/98/91/1013459891.db2.gz BOJLOXHXCIDVQP-AWEZNQCLSA-N 0 2 413.547 3.582 20 0 HHADLN CCC[C@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cnc4c(c3)c(C)nn4C)c2C1 ZINC000542517321 1013459898 /nfs/dbraw/zinc/45/98/98/1013459898.db2.gz BOJLOXHXCIDVQP-AWEZNQCLSA-N 0 2 413.547 3.582 20 0 HHADLN COCCOc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)ccc1OC ZINC000024956294 964123521 /nfs/dbraw/zinc/12/35/21/964123521.db2.gz SJNDNDCYCUKHPU-UHFFFAOYSA-N 0 2 412.316 3.890 20 0 HHADLN COCCOc1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)ccc1OC ZINC000024955742 964123951 /nfs/dbraw/zinc/12/39/51/964123951.db2.gz DEAPAYBZOGCQPR-UHFFFAOYSA-N 0 2 406.287 3.828 20 0 HHADLN O=C(NCCc1cccs1)NNC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000050612569 964364832 /nfs/dbraw/zinc/36/48/32/964364832.db2.gz DMGBEQIPJRWIIS-UHFFFAOYSA-N 0 2 406.920 3.712 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000028970486 965229193 /nfs/dbraw/zinc/22/91/93/965229193.db2.gz WVVTUEMEYGZPEN-UHFFFAOYSA-N 0 2 415.478 3.596 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)NCCc3ccc(Cl)s3)cc2[nH]c1=S ZINC000053679566 965245195 /nfs/dbraw/zinc/24/51/95/965245195.db2.gz GEGQIARMLZQTOK-UHFFFAOYSA-N 0 2 405.932 3.559 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N[C@@H](C)c3cc(F)ccc3OC)cc2[nH]c1=S ZINC000054010503 965352606 /nfs/dbraw/zinc/35/26/06/965352606.db2.gz ANEMBJGPTZVZTF-LBPRGKRZSA-N 0 2 413.474 3.510 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(C)s3)cc2[nH]c1=S ZINC000054261335 965447901 /nfs/dbraw/zinc/44/79/01/965447901.db2.gz QQWFGQIAQCTQHO-ZDUSSCGKSA-N 0 2 417.556 3.583 20 0 HHADLN COc1ccc(-c2csc(NS(=O)(=O)c3ccccc3Cl)n2)cc1OC ZINC000057719769 965530346 /nfs/dbraw/zinc/53/03/46/965530346.db2.gz PLQNULXCKPJNFQ-UHFFFAOYSA-N 0 2 410.904 3.703 20 0 HHADLN Cc1nc2sccc2c(=O)n1NC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000057809013 965551448 /nfs/dbraw/zinc/55/14/48/965551448.db2.gz KFPMARFYVUYOPK-UHFFFAOYSA-N 0 2 402.888 3.927 20 0 HHADLN C[C@H](Cc1ccccc1F)NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000054621882 965586528 /nfs/dbraw/zinc/58/65/28/965586528.db2.gz AVVSZGUVKSFVDU-OAHLLOKOSA-N 0 2 411.433 3.573 20 0 HHADLN CS(=O)(=O)c1ccc(F)c(S(=O)(=O)Nc2cccc(Oc3ccccc3)c2)c1 ZINC000058120116 965632561 /nfs/dbraw/zinc/63/25/61/965632561.db2.gz DDAKXMOVIAUMRG-UHFFFAOYSA-N 0 2 421.471 3.822 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)sc1C ZINC000538016689 1013589282 /nfs/dbraw/zinc/58/92/82/1013589282.db2.gz RPRYPKLCYDTLFS-UHFFFAOYSA-N 0 2 409.558 3.612 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCOC4(C3)CCCCCC4)s[nH]2)c1 ZINC000542688458 1013608190 /nfs/dbraw/zinc/60/81/90/1013608190.db2.gz IIYMDZVRSXMBFK-UHFFFAOYSA-N 0 2 402.520 3.593 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCc3nc(C(C)(C)C)cs3)s[nH]2)c1 ZINC000542687387 1013607236 /nfs/dbraw/zinc/60/72/36/1013607236.db2.gz UHKPVMBUSLKBGZ-UHFFFAOYSA-N 0 2 403.533 3.711 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(CCC(F)(F)F)CC3CC3)s[nH]2)c1 ZINC000542690710 1013609547 /nfs/dbraw/zinc/60/95/47/1013609547.db2.gz IXHFFOHDGAPUMJ-UHFFFAOYSA-N 0 2 400.426 3.832 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)c(F)cc2N1 ZINC000055568081 965924480 /nfs/dbraw/zinc/92/44/80/965924480.db2.gz ULMSAKGEKWDUIR-UHFFFAOYSA-N 0 2 418.446 3.553 20 0 HHADLN COc1ccc([C@H](NC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)C2CC2)cc1 ZINC000542692353 1013611224 /nfs/dbraw/zinc/61/12/24/1013611224.db2.gz IYPWSXQLHCXHIN-GOSISDBHSA-N 0 2 410.499 3.917 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)NCc3ccccc3COC(C)C)cc2[nH]c1=S ZINC000031340946 965989999 /nfs/dbraw/zinc/98/99/99/965989999.db2.gz DPMWZDBPHUADKT-UHFFFAOYSA-N 0 2 423.538 3.726 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1cccc(OCCc2ccccc2)c1 ZINC000055648057 965992038 /nfs/dbraw/zinc/99/20/38/965992038.db2.gz DRZVNZRHNBQRBK-UHFFFAOYSA-N 0 2 417.508 3.957 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(OC)c(OC2CCCC2)c1 ZINC000032098589 966194695 /nfs/dbraw/zinc/19/46/95/966194695.db2.gz JHEJTEGBPWJWQK-UHFFFAOYSA-N 0 2 411.501 3.666 20 0 HHADLN Cc1oc(-c2cccs2)nc1C(=O)NNC(=O)Cc1nc(-c2ccccc2)cs1 ZINC000060613554 966230743 /nfs/dbraw/zinc/23/07/43/966230743.db2.gz MJZYRZJSDCQDPG-UHFFFAOYSA-N 0 2 424.507 3.839 20 0 HHADLN C[C@@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc2c(c1)CC(=O)N2 ZINC000542731047 1013643237 /nfs/dbraw/zinc/64/32/37/1013643237.db2.gz ZUUXYFOXNCATJE-SNVBAGLBSA-N 0 2 413.890 3.658 20 0 HHADLN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c(C)s1 ZINC000060943373 966332986 /nfs/dbraw/zinc/33/29/86/966332986.db2.gz YGORFTIMMBZVFN-UHFFFAOYSA-N 0 2 416.528 3.825 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cc1OCC ZINC000061035669 966356966 /nfs/dbraw/zinc/35/69/66/966356966.db2.gz BGQNTHBCMJADKB-UHFFFAOYSA-N 0 2 405.501 3.803 20 0 HHADLN Cc1cc(C(=O)NNC(=O)c2cnc(-c3ccccc3F)s2)c2ccccc2n1 ZINC000063122847 966757345 /nfs/dbraw/zinc/75/73/45/966757345.db2.gz CFMWBRGHDUXPIF-UHFFFAOYSA-N 0 2 406.442 3.881 20 0 HHADLN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)c1 ZINC000063149030 966761994 /nfs/dbraw/zinc/76/19/94/966761994.db2.gz XNWXCQUCABCQOZ-UHFFFAOYSA-N 0 2 420.531 3.767 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC(C)C)c(Cl)c2)c1 ZINC000063173316 966766810 /nfs/dbraw/zinc/76/68/10/966766810.db2.gz PIWQMWKCLDILSP-UHFFFAOYSA-N 0 2 401.843 3.854 20 0 HHADLN CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccccc1C(=O)OC ZINC000063181055 966769391 /nfs/dbraw/zinc/76/93/91/966769391.db2.gz XJLISPSRZMZVHQ-UHFFFAOYSA-N 0 2 403.378 3.692 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c1 ZINC000063183541 966771360 /nfs/dbraw/zinc/77/13/60/966771360.db2.gz JIGAATNIICXGAF-UHFFFAOYSA-N 0 2 420.487 3.575 20 0 HHADLN O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000063878279 966985402 /nfs/dbraw/zinc/98/54/02/966985402.db2.gz DJPUAVQQIXSEKU-UHFFFAOYSA-N 0 2 418.478 3.925 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)c(C(F)(F)F)c1 ZINC000064375190 967159560 /nfs/dbraw/zinc/15/95/60/967159560.db2.gz XMPFPOKXDZDVAM-UHFFFAOYSA-N 0 2 405.394 3.922 20 0 HHADLN CCCS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc(CC)s2)c1C ZINC000064381220 967162717 /nfs/dbraw/zinc/16/27/17/967162717.db2.gz JVSPHFKIRHOPOT-UHFFFAOYSA-N 0 2 402.563 3.571 20 0 HHADLN COC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1cccc(C)c1C(=O)OC ZINC000064476177 967202144 /nfs/dbraw/zinc/20/21/44/967202144.db2.gz FEPNJBRCOWJRKQ-UHFFFAOYSA-N 0 2 413.451 3.522 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cc1 ZINC000064478068 967204290 /nfs/dbraw/zinc/20/42/90/967204290.db2.gz AZGVBGZOUNJGAL-UHFFFAOYSA-N 0 2 416.524 3.851 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cc1F ZINC000064478035 967204746 /nfs/dbraw/zinc/20/47/46/967204746.db2.gz RFPMRJGCJZAUAU-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN COC(=O)CCOc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000064479349 967206842 /nfs/dbraw/zinc/20/68/42/967206842.db2.gz GMAJMFZTMKMYNX-UHFFFAOYSA-N 0 2 404.271 3.736 20 0 HHADLN Cn1c(SCc2n[nH]c(=O)[nH]2)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000538147418 1013706748 /nfs/dbraw/zinc/70/67/48/1013706748.db2.gz XFWRIQZTFFCPKX-LLVKDONJSA-N 0 2 404.565 3.811 20 0 HHADLN CO[C@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000064938150 967332555 /nfs/dbraw/zinc/33/25/55/967332555.db2.gz HSPNAUJORIDXIP-SNVBAGLBSA-N 0 2 403.287 3.768 20 0 HHADLN Cn1nc(C2CCCC2)cc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000542865764 1013720074 /nfs/dbraw/zinc/72/00/74/1013720074.db2.gz RPIZSWFJUSHJGP-UHFFFAOYSA-N 0 2 402.289 3.780 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2[nH]c1=S ZINC000045902112 967590366 /nfs/dbraw/zinc/59/03/66/967590366.db2.gz DKZLMOHWHSXEAI-AWEZNQCLSA-N 0 2 409.511 3.687 20 0 HHADLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccccc1SC1CCCC1 ZINC000046303569 967731501 /nfs/dbraw/zinc/73/15/01/967731501.db2.gz COZVOEIPWQTXTQ-UHFFFAOYSA-N 0 2 411.570 3.926 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000538198542 1013754021 /nfs/dbraw/zinc/75/40/21/1013754021.db2.gz HXNXVMPAMLJSTI-HOTGVXAUSA-N 0 2 400.891 3.932 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000538198545 1013754046 /nfs/dbraw/zinc/75/40/46/1013754046.db2.gz HXNXVMPAMLJSTI-HZPDHXFCSA-N 0 2 400.891 3.932 20 0 HHADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)c1 ZINC000542931448 1013766487 /nfs/dbraw/zinc/76/64/87/1013766487.db2.gz CDYZTNDNUIGKPZ-UHFFFAOYSA-N 0 2 415.402 3.549 20 0 HHADLN COC(=O)c1ccc([C@H](C)Sc2nc(-c3ccc(OC)cc3)c(C#N)c(=O)[nH]2)o1 ZINC000047558344 968236554 /nfs/dbraw/zinc/23/65/54/968236554.db2.gz OGZDWTZDDSZISD-NSHDSACASA-N 0 2 411.439 3.550 20 0 HHADLN C[C@H]1CN(c2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2F)C[C@H](C)O1 ZINC000048230184 968494233 /nfs/dbraw/zinc/49/42/33/968494233.db2.gz SCUKFLOBCPBLQW-RYUDHWBXSA-N 0 2 400.422 3.518 20 0 HHADLN COc1cc(CNC(=O)c2c(O)cc(F)cc2F)ccc1OCc1cccnc1 ZINC000066045411 968780338 /nfs/dbraw/zinc/78/03/38/968780338.db2.gz GGEUTYCRMGQEOY-UHFFFAOYSA-N 0 2 400.381 3.583 20 0 HHADLN Cc1ccncc1NS(=O)(=O)c1ccc(Br)cc1Br ZINC000071414791 968852369 /nfs/dbraw/zinc/85/23/69/968852369.db2.gz ZDVZCRXKWXUTSM-UHFFFAOYSA-N 0 2 406.099 3.716 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)ccc2F)cc1 ZINC000098067291 969188021 /nfs/dbraw/zinc/18/80/21/969188021.db2.gz SIFSRVUUMJTNQA-GJZGRUSLSA-N 0 2 420.506 3.753 20 0 HHADLN CCCCN(CC)C(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000098067807 969189069 /nfs/dbraw/zinc/18/90/69/969189069.db2.gz DGIUZNZOLSYLQK-UHFFFAOYSA-N 0 2 408.495 3.897 20 0 HHADLN CC(C)N(C)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1Cl)c2=O ZINC000104968028 969214773 /nfs/dbraw/zinc/21/47/73/969214773.db2.gz YTRPNLAAUZVBBJ-UHFFFAOYSA-N 0 2 401.919 3.867 20 0 HHADLN COc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000108929047 969436013 /nfs/dbraw/zinc/43/60/13/969436013.db2.gz SWBYVVFWBFYTOO-UHFFFAOYSA-N 0 2 422.466 3.625 20 0 HHADLN CN(C)C(=O)Sc1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000110903312 969738775 /nfs/dbraw/zinc/73/87/75/969738775.db2.gz NBNMKCPCZPELEI-UHFFFAOYSA-N 0 2 406.316 3.963 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N(C)CCc2ccncc2)cc1 ZINC000116464202 969897123 /nfs/dbraw/zinc/89/71/23/969897123.db2.gz YJIRLMCJXJMHBZ-UHFFFAOYSA-N 0 2 415.540 3.567 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1C[C@H](C)C[C@H](C)C1 ZINC000138176589 969983781 /nfs/dbraw/zinc/98/37/81/969983781.db2.gz OHORQZXEQRMVQE-GASCZTMLSA-N 0 2 419.503 3.887 20 0 HHADLN CCOC(=O)/C=C\c1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000207392557 970013040 /nfs/dbraw/zinc/01/30/40/970013040.db2.gz LPZMRBDUCPDPDQ-YHYXMXQVSA-N 0 2 401.271 3.766 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3ccc(C)c(OC(F)F)c3)cc2[nH]c1=S ZINC000217199905 970083599 /nfs/dbraw/zinc/08/35/99/970083599.db2.gz ARWCEBYNULCJOP-UHFFFAOYSA-N 0 2 405.426 3.867 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nccc2ccccc21 ZINC000223555063 970104882 /nfs/dbraw/zinc/10/48/82/970104882.db2.gz ODLJRPJIESHYDE-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000236720146 970162571 /nfs/dbraw/zinc/16/25/71/970162571.db2.gz BAJXWAWSVWEQIB-SFHVURJKSA-N 0 2 420.531 3.607 20 0 HHADLN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000195534986 970497808 /nfs/dbraw/zinc/49/78/08/970497808.db2.gz ITZAACPYUTXCHV-UHFFFAOYSA-N 0 2 418.878 3.508 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3ccc(Br)cc3F)cc2[nH]c1=S ZINC000249691961 970530106 /nfs/dbraw/zinc/53/01/06/970530106.db2.gz MBKYVMYHLQXRTR-UHFFFAOYSA-N 0 2 422.279 3.859 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N3[C@H](C)CO[C@@H](c4ccccc4)[C@H]3C)cc2[nH]c1=S ZINC000261418832 970666604 /nfs/dbraw/zinc/66/66/04/970666604.db2.gz AQFLZXBRCMAXSR-STXHMFSFSA-N 0 2 423.538 3.696 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Br ZINC000317149988 972655171 /nfs/dbraw/zinc/65/51/71/972655171.db2.gz OPCNBAJXAFDJHL-UHFFFAOYSA-N 0 2 406.645 3.515 20 0 HHADLN O=S(=O)(Nc1cccc(-c2cc[nH]n2)c1)c1cc(Br)cnc1Cl ZINC000320866435 972685110 /nfs/dbraw/zinc/68/51/10/972685110.db2.gz VOBMWBIZMNDESB-UHFFFAOYSA-N 0 2 413.684 3.688 20 0 HHADLN COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)cc1Br ZINC000320824513 972685313 /nfs/dbraw/zinc/68/53/13/972685313.db2.gz PTBFMXUVIQTYEJ-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(Cl)c(Br)c1 ZINC000322978571 972705743 /nfs/dbraw/zinc/70/57/43/972705743.db2.gz YQEPIOQSMZWBCL-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN COCCOc1cccc(NS(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000323675287 972714112 /nfs/dbraw/zinc/71/41/12/972714112.db2.gz OSCQHBSURJFMHB-UHFFFAOYSA-N 0 2 420.712 3.929 20 0 HHADLN CC1(C)Oc2ccc(NS(=O)(=O)c3cc(Br)cnc3Cl)cc2O1 ZINC000390383099 972822960 /nfs/dbraw/zinc/82/29/60/972822960.db2.gz CFRYIQFYQXRUDO-UHFFFAOYSA-N 0 2 419.684 3.806 20 0 HHADLN C[C@H](C1CCCCC1)N(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000554840764 1014070538 /nfs/dbraw/zinc/07/05/38/1014070538.db2.gz DRHHAEDSELPLEI-CQSZACIVSA-N 0 2 407.561 3.985 20 0 HHADLN COC(=O)c1csc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 ZINC000409537905 972994390 /nfs/dbraw/zinc/99/43/90/972994390.db2.gz VEGRHKWSGJDVFM-UHFFFAOYSA-N 0 2 412.489 3.522 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3nc4c(s3)CCCCCC4)c(F)cc2N1 ZINC000409548666 973005098 /nfs/dbraw/zinc/00/50/98/973005098.db2.gz SZEPIYLCHJCDPZ-UHFFFAOYSA-N 0 2 409.508 3.627 20 0 HHADLN O=S(=O)(Nc1cc(-c2ccoc2)nn1-c1ccccc1)c1ccc2c(c1)CCO2 ZINC000409617331 973064624 /nfs/dbraw/zinc/06/46/24/973064624.db2.gz KCKIKDMIMFWIGA-UHFFFAOYSA-N 0 2 407.451 3.868 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3cccc(Cl)c3)s2)c1 ZINC000409668065 973126444 /nfs/dbraw/zinc/12/64/44/973126444.db2.gz XKULUQPLEDWYNK-UHFFFAOYSA-N 0 2 422.915 3.975 20 0 HHADLN CC1(C)Cc2cccc(S(=O)(=O)Nc3nnc(/C=C\c4ccco4)s3)c2O1 ZINC000410326603 973886378 /nfs/dbraw/zinc/88/63/78/973886378.db2.gz OIMQVBQXKRRAQY-HJWRWDBZSA-N 0 2 403.485 3.816 20 0 HHADLN CN(c1ccccc1NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)C1CCCC1 ZINC000410329963 973898226 /nfs/dbraw/zinc/89/82/26/973898226.db2.gz VDIZVKUUOSEARM-UHFFFAOYSA-N 0 2 417.506 3.890 20 0 HHADLN CCOc1cccc(S(=O)(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)c1 ZINC000410338600 973921632 /nfs/dbraw/zinc/92/16/32/973921632.db2.gz GJOAWMKMXWPRCN-UHFFFAOYSA-N 0 2 413.286 3.774 20 0 HHADLN O=S(=O)(Nc1ccc(-c2csnn2)cc1)c1cccc(Br)c1F ZINC000410370503 973966456 /nfs/dbraw/zinc/96/64/56/973966456.db2.gz DCCNBZAGUQOWSM-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN COCCOc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000410374941 973972996 /nfs/dbraw/zinc/97/29/96/973972996.db2.gz NWHVTXGYTGUNHO-UHFFFAOYSA-N 0 2 420.712 3.929 20 0 HHADLN CC(C)NC(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1 ZINC000410375977 973973220 /nfs/dbraw/zinc/97/32/20/973973220.db2.gz QZDXWWGEJWQWBH-UHFFFAOYSA-N 0 2 415.284 3.527 20 0 HHADLN CC(=O)N(C)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000410380071 973978515 /nfs/dbraw/zinc/97/85/15/973978515.db2.gz GPGHKIURNIYOGZ-UHFFFAOYSA-N 0 2 417.712 3.886 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]nnc2c1)c1cc(C(F)(F)F)ccc1Br ZINC000410380378 973978538 /nfs/dbraw/zinc/97/85/38/973978538.db2.gz HWNQOVJAOVRZAP-UHFFFAOYSA-N 0 2 421.198 3.540 20 0 HHADLN O=S(=O)(Nc1ccc2n[nH]nc2c1)c1cc(C(F)(F)F)ccc1Br ZINC000410380378 973978544 /nfs/dbraw/zinc/97/85/44/973978544.db2.gz HWNQOVJAOVRZAP-UHFFFAOYSA-N 0 2 421.198 3.540 20 0 HHADLN CC(C)CCn1ncc(NS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c1C(C)C ZINC000410403013 974002949 /nfs/dbraw/zinc/00/29/49/974002949.db2.gz VRKKUGGQFGAXGR-UHFFFAOYSA-N 0 2 412.943 3.606 20 0 HHADLN CCn1ncc(NS(=O)(=O)c2cc(F)ccc2Br)c1C(F)(F)F ZINC000410406766 974006161 /nfs/dbraw/zinc/00/61/61/974006161.db2.gz VUGNVMNRYQYXOR-UHFFFAOYSA-N 0 2 416.194 3.624 20 0 HHADLN O=C1CCN1c1ccc(NS(=O)(=O)c2cc(Br)sc2Cl)cc1 ZINC000410418575 974017147 /nfs/dbraw/zinc/01/71/47/974017147.db2.gz NHHZQBGOMPPPTQ-UHFFFAOYSA-N 0 2 421.725 3.702 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)ncc1Br ZINC000426187790 974297740 /nfs/dbraw/zinc/29/77/40/974297740.db2.gz DKTVRYULYKRRNS-UHFFFAOYSA-N 0 2 418.272 3.672 20 0 HHADLN C[C@H]1CCc2nc(C[NH2+][C@H](CSCCOc3ccccc3)C(=O)[O-])sc2C1 ZINC000426725897 974617707 /nfs/dbraw/zinc/61/77/07/974617707.db2.gz FXMKPJQVMIXLAZ-WMLDXEAASA-N 0 2 406.573 3.623 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cnn1C ZINC000427204736 974977080 /nfs/dbraw/zinc/97/70/80/974977080.db2.gz OVEFZTLGRNECTN-UHFFFAOYSA-N 0 2 419.894 3.827 20 0 HHADLN COCc1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc(C(=O)OC)c1 ZINC000427300670 975036303 /nfs/dbraw/zinc/03/63/03/975036303.db2.gz UOJNNDNRIXALFF-UHFFFAOYSA-N 0 2 404.271 3.727 20 0 HHADLN COC(=O)C1(CS(=O)(=O)Nc2nn([C@H](C)c3ccccc3)cc2C)CCCCC1 ZINC000427351811 975072354 /nfs/dbraw/zinc/07/23/54/975072354.db2.gz HWEUBGZWSFKWJK-QGZVFWFLSA-N 0 2 419.547 3.666 20 0 HHADLN CN(Cc1ccc(Br)c(F)c1)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000427537566 975169837 /nfs/dbraw/zinc/16/98/37/975169837.db2.gz RERSDVYJBYXPEZ-UHFFFAOYSA-N 0 2 422.229 3.891 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(-c3ccncc3)c(C)c2)cnn1-c1ccccn1 ZINC000427648229 975223379 /nfs/dbraw/zinc/22/33/79/975223379.db2.gz OTPVERZQDMZYEG-UHFFFAOYSA-N 0 2 405.483 3.747 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2c3c(nn2C(C)C)CCC3)c1 ZINC000427759163 975272039 /nfs/dbraw/zinc/27/20/39/975272039.db2.gz LZLKTHBHNSODIX-UHFFFAOYSA-N 0 2 411.911 3.584 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(C3CCCC3)nn2C)c1 ZINC000427777062 975282667 /nfs/dbraw/zinc/28/26/67/975282667.db2.gz XWDQVSBRPORTRQ-UHFFFAOYSA-N 0 2 411.911 3.709 20 0 HHADLN CCCCc1nnc(NS(=O)(=O)c2cc(Cl)cc(C(=O)OCC)c2)s1 ZINC000427789682 975289878 /nfs/dbraw/zinc/28/98/78/975289878.db2.gz PINIFTJHXOSCII-UHFFFAOYSA-N 0 2 403.913 3.512 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2ccc3nc(C)sc3c2)sc1C(C)C ZINC000427795050 975293175 /nfs/dbraw/zinc/29/31/75/975293175.db2.gz XIJJWWOKXJJFSA-UHFFFAOYSA-N 0 2 411.530 3.772 20 0 HHADLN COc1ccc2c(c1)C1(CC1)CN(C(=O)C1=NN(c3ccc(Cl)cc3)CC1=O)C2 ZINC000428076014 975420287 /nfs/dbraw/zinc/42/02/87/975420287.db2.gz RUSFTSMMQCTYSE-UHFFFAOYSA-N 0 2 409.873 3.928 20 0 HHADLN CCc1cc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)o1 ZINC000428379196 975701392 /nfs/dbraw/zinc/70/13/92/975701392.db2.gz VQNSBKWYGYGXHL-UHFFFAOYSA-N 0 2 414.487 3.610 20 0 HHADLN COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000428635133 975936474 /nfs/dbraw/zinc/93/64/74/975936474.db2.gz VBWMDHROHDLFHS-KRWDZBQOSA-N 0 2 403.841 3.830 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NC3(C(=O)Nc4ccccc4)CC3)=N2)cc1 ZINC000428779922 976054349 /nfs/dbraw/zinc/05/43/49/976054349.db2.gz DNUDUMBDKXSNQC-UHFFFAOYSA-N 0 2 404.470 3.602 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)Nc1ccc2c(c1)OCO2 ZINC000429451401 976727647 /nfs/dbraw/zinc/72/76/47/976727647.db2.gz OZCPHCOYXBQHRZ-SFHVURJKSA-N 0 2 422.485 3.660 20 0 HHADLN O=S(=O)(Nc1noc(C2CC2)n1)c1cc(Br)c(Cl)cc1Cl ZINC000430077673 977309365 /nfs/dbraw/zinc/30/93/65/977309365.db2.gz MZCCIGSXGVARQT-UHFFFAOYSA-N 0 2 413.080 3.817 20 0 HHADLN O=C(c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)N1CCC(O)(C(F)F)CC1 ZINC000430579342 977642552 /nfs/dbraw/zinc/64/25/52/977642552.db2.gz KJHTXEUZSSJVEZ-UHFFFAOYSA-N 0 2 414.408 3.553 20 0 HHADLN Cc1cc(C)c(S(=O)(=O)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)s1 ZINC000431164087 978065346 /nfs/dbraw/zinc/06/53/46/978065346.db2.gz RZDOQBGNIAWJQM-UHFFFAOYSA-N 0 2 401.575 3.879 20 0 HHADLN COc1cc(NS(=O)(=O)c2cccc(Br)c2F)cc(OC)c1C ZINC000431165802 978066820 /nfs/dbraw/zinc/06/68/20/978066820.db2.gz GXHKKLBPMWHWIT-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nnc(-c2ccc(C)cc2C)s1 ZINC000431318220 978203667 /nfs/dbraw/zinc/20/36/67/978203667.db2.gz IXFTUNZBUQQGPY-UHFFFAOYSA-N 0 2 421.475 3.548 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(SCC)s2)cc1Br ZINC000431342788 978223834 /nfs/dbraw/zinc/22/38/34/978223834.db2.gz VZJNOFVORDGEHM-UHFFFAOYSA-N 0 2 424.367 3.612 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cc(OC)cc(OC)c2)cnn1-c1ccc(F)cc1 ZINC000432059020 978664336 /nfs/dbraw/zinc/66/43/36/978664336.db2.gz DNKWPPQVEBTXHF-UHFFFAOYSA-N 0 2 419.478 3.782 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)cn1 ZINC000432210552 978715167 /nfs/dbraw/zinc/71/51/67/978715167.db2.gz OBMOTOAGKZIFPD-UHFFFAOYSA-N 0 2 410.455 3.700 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N1CC(C2CCCC2)C1 ZINC000432213483 978716478 /nfs/dbraw/zinc/71/64/78/978716478.db2.gz OMCHODQQRMSMNC-UHFFFAOYSA-N 0 2 406.533 3.598 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000432218069 978718477 /nfs/dbraw/zinc/71/84/77/978718477.db2.gz VAOYAHVATYVNDD-UHFFFAOYSA-N 0 2 418.478 3.666 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)=N1 ZINC000432282320 978742999 /nfs/dbraw/zinc/74/29/99/978742999.db2.gz BRDLHGQLNRWPIF-LJQANCHMSA-N 0 2 415.852 3.893 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)=N1 ZINC000432315212 978758128 /nfs/dbraw/zinc/75/81/28/978758128.db2.gz YMMAWDXSWTVZOH-SFHVURJKSA-N 0 2 423.444 3.774 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000432351001 978772249 /nfs/dbraw/zinc/77/22/49/978772249.db2.gz HQAMFGGQXNVQHA-UHFFFAOYSA-N 0 2 421.475 3.717 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000432355185 978774342 /nfs/dbraw/zinc/77/43/42/978774342.db2.gz CYMYCEUPKBXMMH-UHFFFAOYSA-N 0 2 410.423 3.676 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000432356912 978776010 /nfs/dbraw/zinc/77/60/10/978776010.db2.gz JSRTZWWIVGBTMZ-UHFFFAOYSA-N 0 2 412.489 3.907 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccc(F)cc2)s1)c1cnn(CC(F)(F)F)c1 ZINC000432369820 978781864 /nfs/dbraw/zinc/78/18/64/978781864.db2.gz XHWJXCOOKRZGNT-UHFFFAOYSA-N 0 2 406.386 3.509 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)c1C ZINC000432532901 978869371 /nfs/dbraw/zinc/86/93/71/978869371.db2.gz WGBIYPSEQPDBTJ-INIZCTEOSA-N 0 2 417.560 3.640 20 0 HHADLN COc1ccc(Cn2ccc(NS(=O)(=O)c3cc(Cl)c(OC)cc3C)n2)cc1 ZINC000432777120 978971216 /nfs/dbraw/zinc/97/12/16/978971216.db2.gz SXIZXMYPMGZILH-UHFFFAOYSA-N 0 2 421.906 3.711 20 0 HHADLN Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)Nc2nc(-c3ccccc3F)n[nH]2)s1 ZINC000432938485 979016419 /nfs/dbraw/zinc/01/64/19/979016419.db2.gz OIHRAMMNQXLHRW-OAHLLOKOSA-N 0 2 423.477 3.531 20 0 HHADLN Cn1nc([C@@H]2CCCO2)cc1NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000432958865 979024633 /nfs/dbraw/zinc/02/46/33/979024633.db2.gz HIRNNYDPOBYPQI-HNNXBMFYSA-N 0 2 420.560 3.980 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2cc(C)nn2-c2cc(C)ccn2)cc1Cl ZINC000432968053 979028328 /nfs/dbraw/zinc/02/83/28/979028328.db2.gz UJFIHPQFCIZQFX-UHFFFAOYSA-N 0 2 406.895 3.655 20 0 HHADLN Cc1cnc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)nc1-c1ccccc1 ZINC000433113175 979079111 /nfs/dbraw/zinc/07/91/11/979079111.db2.gz BNQHZGMUSNRGIO-UHFFFAOYSA-N 0 2 409.446 3.578 20 0 HHADLN Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(-c4ccc(Cl)s4)cn3)ccc21 ZINC000433125244 979086279 /nfs/dbraw/zinc/08/62/79/979086279.db2.gz ISCPCZIIVKMSOW-UHFFFAOYSA-N 0 2 421.887 3.709 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C)n(C2CCOCC2)n1 ZINC000433372311 979259730 /nfs/dbraw/zinc/25/97/30/979259730.db2.gz HAGBKZGIEKYGGT-UHFFFAOYSA-N 0 2 403.426 3.671 20 0 HHADLN CCCn1nccc1NS(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000433495715 979337352 /nfs/dbraw/zinc/33/73/52/979337352.db2.gz HQJHWUXJVJQRQZ-UHFFFAOYSA-N 0 2 408.705 3.518 20 0 HHADLN C[C@@H]1CC2(CCC2)CN1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000433505274 979342996 /nfs/dbraw/zinc/34/29/96/979342996.db2.gz GDWMOCKURAZOBJ-CYBMUJFWSA-N 0 2 406.533 3.740 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2cnn(CC(C)C)c2)cc1Cl ZINC000433526651 979359248 /nfs/dbraw/zinc/35/92/48/979359248.db2.gz CFVALTDAOPGPJC-UHFFFAOYSA-N 0 2 422.732 3.764 20 0 HHADLN CNC(=O)c1cccc(NS(=O)(=O)c2cc(Br)sc2Cl)c1C ZINC000433617382 979428415 /nfs/dbraw/zinc/42/84/15/979428415.db2.gz KZJMITGNRCJOAJ-UHFFFAOYSA-N 0 2 423.741 3.633 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NC2(c3cccc(F)c3)CCOCC2)=N1 ZINC000434351552 980110290 /nfs/dbraw/zinc/11/02/90/980110290.db2.gz KPTYDRLDUGJHEM-UHFFFAOYSA-N 0 2 413.424 3.600 20 0 HHADLN CCCc1c(NS(=O)(=O)c2c(C)cc(C)cc2OC)cnn1-c1cc(C)ccn1 ZINC000434632383 980308780 /nfs/dbraw/zinc/30/87/80/980308780.db2.gz WPQXMJTZXIJZPQ-UHFFFAOYSA-N 0 2 414.531 3.954 20 0 HHADLN C[C@@H](OCCCNC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000434689170 980341064 /nfs/dbraw/zinc/34/10/64/980341064.db2.gz USCBQVGDKNVSCB-HXUWFJFHSA-N 0 2 424.589 3.683 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3C)n[nH]2)cc1 ZINC000434965263 980536490 /nfs/dbraw/zinc/53/64/90/980536490.db2.gz ZYTPQKXAQKKZBL-UHFFFAOYSA-N 0 2 401.488 3.601 20 0 HHADLN COc1cc(OC)c(OC)cc1NS(=O)(=O)c1cccc(C)c1Br ZINC000435140351 980672114 /nfs/dbraw/zinc/67/21/14/980672114.db2.gz IAFRDXVOKMXANO-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)[C@@H]1CCCCO1 ZINC000435800632 981036747 /nfs/dbraw/zinc/03/67/47/981036747.db2.gz QDBYNDVRAALIPF-INIZCTEOSA-N 0 2 412.870 3.788 20 0 HHADLN COCCOc1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1Cl ZINC000436016040 981156850 /nfs/dbraw/zinc/15/68/50/981156850.db2.gz XVVRHVIISGAKDQ-UHFFFAOYSA-N 0 2 419.890 3.623 20 0 HHADLN COc1cc(S(=O)(=O)Nc2ccc(C)cc2OC)c(OC)cc1Br ZINC000436021509 981161447 /nfs/dbraw/zinc/16/14/47/981161447.db2.gz PCFXKAWEEBTXPZ-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000436026002 981165136 /nfs/dbraw/zinc/16/51/36/981165136.db2.gz JGYYHFOQTNBFAM-UHFFFAOYSA-N 0 2 404.385 3.656 20 0 HHADLN CCCc1c(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cnn1-c1cccc(C)c1 ZINC000436043015 981176427 /nfs/dbraw/zinc/17/64/27/981176427.db2.gz SHUCNBDBZRGTCB-UHFFFAOYSA-N 0 2 404.499 3.721 20 0 HHADLN Cn1ncc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c1C(F)(F)F ZINC000436165730 981230475 /nfs/dbraw/zinc/23/04/75/981230475.db2.gz YSUCRFIYNXPBCY-UHFFFAOYSA-N 0 2 407.723 3.912 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(Br)cc1C ZINC000436197395 981245705 /nfs/dbraw/zinc/24/57/05/981245705.db2.gz KRIFXOLLLLJPEG-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN O=S(=O)(Nc1ccc(F)c(-c2nnc[nH]2)c1)c1cc(C(F)(F)F)ccc1F ZINC000436478472 981393997 /nfs/dbraw/zinc/39/39/97/981393997.db2.gz PIFMOKACMBFYQM-UHFFFAOYSA-N 0 2 404.320 3.570 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)Nc1cc(C)cnc1OC ZINC000436518558 981413490 /nfs/dbraw/zinc/41/34/90/981413490.db2.gz KOBLXRBYLJEYHJ-GOSISDBHSA-N 0 2 423.517 3.643 20 0 HHADLN Cc1cccc(-c2nnnn2[C@@H]2C[C@H]2C)c1NS(=O)(=O)c1cnc2ccccc2c1 ZINC000436518151 981413644 /nfs/dbraw/zinc/41/36/44/981413644.db2.gz XLLWHQHLEXONSW-AUUYWEPGSA-N 0 2 420.498 3.578 20 0 HHADLN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(F)c(O)c(F)c1)c1ccccc1 ZINC000436521970 981415113 /nfs/dbraw/zinc/41/51/13/981415113.db2.gz IYJFMDAFUBXAAS-FQEVSTJZSA-N 0 2 410.420 3.675 20 0 HHADLN COc1ccc(Cl)cc1C1(CNC(=O)c2cc(F)c(O)c(F)c2)CCOCC1 ZINC000436531269 981423490 /nfs/dbraw/zinc/42/34/90/981423490.db2.gz PEUQLMBLOAPNNL-UHFFFAOYSA-N 0 2 411.832 3.811 20 0 HHADLN CC[C@H](C)CN(CC)C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O ZINC000436555051 981440128 /nfs/dbraw/zinc/44/01/28/981440128.db2.gz IEBQGVHNTYCNRE-HNNXBMFYSA-N 0 2 420.531 3.710 20 0 HHADLN CCN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O)C1CCCC1 ZINC000436556754 981441630 /nfs/dbraw/zinc/44/16/30/981441630.db2.gz PNRGTEXCAAIBGE-UHFFFAOYSA-N 0 2 418.515 3.606 20 0 HHADLN O=C(c1cc(-c2ccccc2)cc(Cl)c1O)N1CCC[C@H]1CN1CCOCC1 ZINC000436574350 981453435 /nfs/dbraw/zinc/45/34/35/981453435.db2.gz KSJLWAWCZBYQHP-SFHVURJKSA-N 0 2 400.906 3.649 20 0 HHADLN C[C@]1(CNC(=O)c2cc(F)cc(Br)c2O)OCCc2sccc21 ZINC000436594177 981464911 /nfs/dbraw/zinc/46/49/11/981464911.db2.gz DNCJGXCWACRFNX-MRXNPFEDSA-N 0 2 400.269 3.573 20 0 HHADLN Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)c3cc(F)cc(Cl)c3O)no2)cn1 ZINC000436597082 981466381 /nfs/dbraw/zinc/46/63/81/981466381.db2.gz SXUXIWNASCZXOR-OAHLLOKOSA-N 0 2 419.844 3.726 20 0 HHADLN CNC(=O)c1cc(Oc2ccc(NC(=O)c3cc(F)c(O)c(F)c3)cc2F)ccn1 ZINC000436599486 981467541 /nfs/dbraw/zinc/46/75/41/981467541.db2.gz CVNOTJQTRZCWQY-UHFFFAOYSA-N 0 2 417.343 3.609 20 0 HHADLN C[C@@H]1CN(C(=O)c2ccc(Cl)cc2O)[C@@H](C)CN1C(=O)c1ccc(Cl)cc1O ZINC000436604230 981469680 /nfs/dbraw/zinc/46/96/80/981469680.db2.gz NJZVSSSWEJIXEU-TXEJJXNPSA-N 0 2 423.296 3.780 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCN(c2ccccc2F)CC1 ZINC000436628245 981482575 /nfs/dbraw/zinc/48/25/75/981482575.db2.gz PBZYSDMGUOPVHX-UHFFFAOYSA-N 0 2 413.674 3.910 20 0 HHADLN CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(F)c(O)c(F)c1 ZINC000436637082 981487051 /nfs/dbraw/zinc/48/70/51/981487051.db2.gz VFSBWINTKLJFPA-UHFFFAOYSA-N 0 2 402.319 3.790 20 0 HHADLN CN(Cc1nc2ccccc2n1C)C(=O)c1cc(Cl)cc(Br)c1O ZINC000436637113 981487193 /nfs/dbraw/zinc/48/71/93/981487193.db2.gz WGUWRKPGVDIFFL-UHFFFAOYSA-N 0 2 408.683 3.967 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000436652753 981493136 /nfs/dbraw/zinc/49/31/36/981493136.db2.gz QMEIFFINXULCMV-HXUWFJFHSA-N 0 2 422.294 3.751 20 0 HHADLN CS(=O)(=O)C1(CNC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CCCC1 ZINC000436681918 981509808 /nfs/dbraw/zinc/50/98/08/981509808.db2.gz SMTRSGOHVLFJOW-UHFFFAOYSA-N 0 2 407.919 3.800 20 0 HHADLN Cc1c(NC(=O)c2cc(F)c(O)c(F)c2)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000436711015 981525030 /nfs/dbraw/zinc/52/50/30/981525030.db2.gz CHGOILAWKQHGEI-UHFFFAOYSA-N 0 2 412.318 3.890 20 0 HHADLN COC(=O)C[C@@H]1CSCCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436733422 981536965 /nfs/dbraw/zinc/53/69/65/981536965.db2.gz XBAIPTKKEUGQRX-OAHLLOKOSA-N 0 2 405.903 3.833 20 0 HHADLN CC[C@H]1CC[C@H](C)N1C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O ZINC000436749497 981544616 /nfs/dbraw/zinc/54/46/16/981544616.db2.gz YSCFCUUDYGNGLC-GJZGRUSLSA-N 0 2 418.515 3.605 20 0 HHADLN C[C@@H](C(=O)Nc1ccc(NC(=O)c2c(O)cc(Cl)cc2Cl)cc1)n1cncn1 ZINC000436759379 981549767 /nfs/dbraw/zinc/54/97/67/981549767.db2.gz AQVDWVWQCVRQJW-JTQLQIEISA-N 0 2 420.256 3.743 20 0 HHADLN CCSCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)c1 ZINC000436775335 981556668 /nfs/dbraw/zinc/55/66/68/981556668.db2.gz ZRWHENPVKUQVCE-UHFFFAOYSA-N 0 2 420.556 3.682 20 0 HHADLN CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)c1cc(F)cc(Cl)c1O ZINC000436792456 981564227 /nfs/dbraw/zinc/56/42/27/981564227.db2.gz WGCNRTRWIVDBME-NSHDSACASA-N 0 2 421.774 3.715 20 0 HHADLN COc1cc2c(cc1OC)CN(C(=O)c1cc(F)cc(Br)c1O)CC2 ZINC000436846542 981587366 /nfs/dbraw/zinc/58/73/66/981587366.db2.gz HNWRQQXVSWHNTG-UHFFFAOYSA-N 0 2 410.239 3.510 20 0 HHADLN O=C(N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cc(F)cc(Br)c1O ZINC000436854828 981592961 /nfs/dbraw/zinc/59/29/61/981592961.db2.gz ULJFZHHEBRKUBJ-GDBMZVCRSA-N 0 2 416.193 3.832 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(-c2nc(-c3ccccc3)no2)c1 ZINC000436894757 981604496 /nfs/dbraw/zinc/60/44/96/981604496.db2.gz GQWUAGLCBSOBJE-UHFFFAOYSA-N 0 2 423.450 3.919 20 0 HHADLN O=S(=O)(NCc1ccccc1)c1ccc(O)c(-c2nc(Cc3ccccc3)no2)c1 ZINC000436894604 981604598 /nfs/dbraw/zinc/60/45/98/981604598.db2.gz FLVBVXTUWLTWPN-UHFFFAOYSA-N 0 2 421.478 3.512 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCSC2(CCOCC2)C1 ZINC000436931122 981630151 /nfs/dbraw/zinc/63/01/51/981630151.db2.gz JMLTWDMEXRUONU-UHFFFAOYSA-N 0 2 406.729 3.546 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000436936145 981633245 /nfs/dbraw/zinc/63/32/45/981633245.db2.gz MPXYPHBGFAYAOS-CQSZACIVSA-N 0 2 405.267 3.571 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(O)c(-c3nc([C@H](C)C4CC4)no3)c2)cc1 ZINC000436951922 981642033 /nfs/dbraw/zinc/64/20/33/981642033.db2.gz HEPJMYYOYUKMQY-GFCCVEGCSA-N 0 2 415.471 3.765 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(O)c(-c3nc([C@@H](C)C4CC4)no3)c2)cc1 ZINC000436951923 981642295 /nfs/dbraw/zinc/64/22/95/981642295.db2.gz HEPJMYYOYUKMQY-LBPRGKRZSA-N 0 2 415.471 3.765 20 0 HHADLN O=C(NCCCOc1ncc(C(F)(F)F)cc1Cl)c1cc(F)c(O)c(F)c1 ZINC000436963472 981651063 /nfs/dbraw/zinc/65/10/63/981651063.db2.gz CQIRWFRRWUFOKN-UHFFFAOYSA-N 0 2 410.726 3.937 20 0 HHADLN CC1CCN(Cc2csc(NS(=O)(=O)c3cnc4ccsc4c3)n2)CC1 ZINC000437166785 981818370 /nfs/dbraw/zinc/81/83/70/981818370.db2.gz SQEFKHLPQKCLNQ-UHFFFAOYSA-N 0 2 408.574 3.786 20 0 HHADLN CCCCCc1nnc(NS(=O)(=O)c2cc(Br)ccc2F)s1 ZINC000437173633 981828718 /nfs/dbraw/zinc/82/87/18/981828718.db2.gz UYGCJYJIFYLWIJ-UHFFFAOYSA-N 0 2 408.318 3.973 20 0 HHADLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)s1 ZINC000437190748 981847498 /nfs/dbraw/zinc/84/74/98/981847498.db2.gz ZEFMFDRXJJPMCT-UHFFFAOYSA-N 0 2 410.565 3.725 20 0 HHADLN CCC(CC)c1nnc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)s1 ZINC000437192348 981848983 /nfs/dbraw/zinc/84/89/83/981848983.db2.gz XLLKSGCJLMIGHZ-UHFFFAOYSA-N 0 2 403.913 3.667 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)C(=O)Nc1ccccc1-c1ccccc1 ZINC000437200438 981858659 /nfs/dbraw/zinc/85/86/59/981858659.db2.gz HGTXSQJYIQEJQP-UHFFFAOYSA-N 0 2 418.478 3.661 20 0 HHADLN Cc1cc(C)c(NC(=O)CN(C)C(=O)N=c2nc(-c3ccsc3)[nH]s2)c(C)c1 ZINC000460129691 981903847 /nfs/dbraw/zinc/90/38/47/981903847.db2.gz RRZCJAXKMBGVFF-UHFFFAOYSA-N 0 2 415.544 3.716 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C(C)C)cc1 ZINC000437302349 981954502 /nfs/dbraw/zinc/95/45/02/981954502.db2.gz AWFAZPXQXLVFFN-UHFFFAOYSA-N 0 2 412.515 3.915 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cn1 ZINC000437337455 981987402 /nfs/dbraw/zinc/98/74/02/981987402.db2.gz BGWXFEROHJSBRR-UHFFFAOYSA-N 0 2 424.935 3.670 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2nc3c(s2)CCCCCC3)c(F)c1 ZINC000437387387 982032555 /nfs/dbraw/zinc/03/25/55/982032555.db2.gz HWBXZPSOUILSKQ-UHFFFAOYSA-N 0 2 415.487 3.840 20 0 HHADLN C[C@@H]1CN(Cc2csc(NS(=O)(=O)c3ccccc3C(C)(C)C)n2)C[C@@H](C)O1 ZINC000437395637 982040386 /nfs/dbraw/zinc/04/03/86/982040386.db2.gz OJWKQMNRONUMRC-HUUCEWRRSA-N 0 2 423.604 3.851 20 0 HHADLN CC(=O)Nc1ccc2nc(NS(=O)(=O)c3ccc(C(=O)C(C)C)cc3)sc2c1 ZINC000437410362 982052628 /nfs/dbraw/zinc/05/26/28/982052628.db2.gz LVBDJDVEYYSYQQ-UHFFFAOYSA-N 0 2 417.512 3.894 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc3ccc(OC)cc3s2)c1 ZINC000437411194 982053169 /nfs/dbraw/zinc/05/31/69/982053169.db2.gz UWGVIVFDTHEUHJ-UHFFFAOYSA-N 0 2 412.876 3.546 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)c1C ZINC000437424583 982064271 /nfs/dbraw/zinc/06/42/71/982064271.db2.gz WJCWSBKKWSPDBH-UHFFFAOYSA-N 0 2 412.487 3.646 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2nc3c(cc(C)cc3C)s2)c(F)c1 ZINC000437426187 982065836 /nfs/dbraw/zinc/06/58/36/982065836.db2.gz ZDPUKMUMCYQJKK-UHFFFAOYSA-N 0 2 411.455 3.951 20 0 HHADLN COc1ccccc1-n1c(NC(=O)c2ccc(S(C)(=O)=O)cc2)nc2ccccc21 ZINC000460384900 982163102 /nfs/dbraw/zinc/16/31/02/982163102.db2.gz JTRHUSKCRXYXKV-UHFFFAOYSA-N 0 2 421.478 3.690 20 0 HHADLN COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000460409337 982192270 /nfs/dbraw/zinc/19/22/70/982192270.db2.gz ICCJHJWIQYRCHN-UHFFFAOYSA-N 0 2 419.286 3.770 20 0 HHADLN O=S(=O)(Nc1cccc(OCC(F)(F)F)c1)c1cnn(-c2ccccc2F)c1 ZINC000460446344 982239032 /nfs/dbraw/zinc/23/90/32/982239032.db2.gz HDJZDCMSRQXLBZ-UHFFFAOYSA-N 0 2 415.368 3.753 20 0 HHADLN CC(C)(C)c1cc(NS(=O)(=O)c2cnc3n2CCC3)n(-c2cccc(Cl)c2)n1 ZINC000437667096 982283011 /nfs/dbraw/zinc/28/30/11/982283011.db2.gz MLGAIWLHQGOFPG-UHFFFAOYSA-N 0 2 419.938 3.767 20 0 HHADLN COc1ccccc1COc1cccc(NS(=O)(=O)c2cnc3n2CCC3)c1C ZINC000437684507 982295822 /nfs/dbraw/zinc/29/58/22/982295822.db2.gz XQRFVLPXXKBWMY-UHFFFAOYSA-N 0 2 413.499 3.526 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(CC)s2)nc1C(F)(F)F ZINC000460536618 982324001 /nfs/dbraw/zinc/32/40/01/982324001.db2.gz XERXVTQFCSPREV-UHFFFAOYSA-N 0 2 414.452 3.763 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ncccc2C(=O)c2ccc(F)cc2)c(C)c1 ZINC000460571609 982356133 /nfs/dbraw/zinc/35/61/33/982356133.db2.gz FJHWXEMXYWLJBM-UHFFFAOYSA-N 0 2 400.431 3.570 20 0 HHADLN Cc1nc2ccc(S(=O)(=O)Nc3cnc4c(Br)cccn34)cc2s1 ZINC000460645700 982419025 /nfs/dbraw/zinc/41/90/25/982419025.db2.gz AKQGVUSHFJSBKI-UHFFFAOYSA-N 0 2 423.317 3.816 20 0 HHADLN O=S(=O)(Nc1ccc(OC(F)F)c(F)c1)c1cnn(-c2ccccc2F)c1 ZINC000460834795 982584732 /nfs/dbraw/zinc/58/47/32/982584732.db2.gz ZDDMQBREIUVRHH-UHFFFAOYSA-N 0 2 401.341 3.553 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)Nc2ccc3nnc(C(C)C)n3c2)s1 ZINC000438243870 982677511 /nfs/dbraw/zinc/67/75/11/982677511.db2.gz BTAUIJAVWUYDTF-UHFFFAOYSA-N 0 2 415.338 3.786 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)=N1 ZINC000461037750 982739174 /nfs/dbraw/zinc/73/91/74/982739174.db2.gz NKRWCVSNSRJXRJ-JOCHJYFZSA-N 0 2 421.472 3.849 20 0 HHADLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3csc(-c4ccncc4)n3)cc(Cl)c2O1 ZINC000461109705 982798815 /nfs/dbraw/zinc/79/88/15/982798815.db2.gz FHHZLJDNIVYDOR-SNVBAGLBSA-N 0 2 407.904 3.983 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2F)o1)c1ccc(C(F)(F)F)s1 ZINC000461110657 982799879 /nfs/dbraw/zinc/79/98/79/982799879.db2.gz HUMTWBAHALZDFQ-UHFFFAOYSA-N 0 2 407.370 3.681 20 0 HHADLN COc1ccccc1-c1nnc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)o1 ZINC000461111916 982801164 /nfs/dbraw/zinc/80/11/64/982801164.db2.gz LWGPITMEGHGESA-UHFFFAOYSA-N 0 2 405.379 3.626 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)nc1C1CC1 ZINC000461116076 982809016 /nfs/dbraw/zinc/80/90/16/982809016.db2.gz VFUTVPNOLKUEHN-UHFFFAOYSA-N 0 2 412.436 3.688 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)nc1C ZINC000461117598 982812271 /nfs/dbraw/zinc/81/22/71/982812271.db2.gz XDRPVUCHIDKDSJ-UHFFFAOYSA-N 0 2 400.425 3.509 20 0 HHADLN COCCCCc1cccnc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000461184175 982902524 /nfs/dbraw/zinc/90/25/24/982902524.db2.gz BRXYQCKIOLGOQV-UHFFFAOYSA-N 0 2 404.410 3.750 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CC3(CCC3(F)F)C2)cc1 ZINC000461277190 982980118 /nfs/dbraw/zinc/98/01/18/982980118.db2.gz OTUAXTMNVUHDMB-UHFFFAOYSA-N 0 2 412.483 3.729 20 0 HHADLN COC(=O)CCCOc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000461337019 983026082 /nfs/dbraw/zinc/02/60/82/983026082.db2.gz YRTNXDWTJUUUKO-UHFFFAOYSA-N 0 2 423.434 3.900 20 0 HHADLN O=S(=O)(Nc1ccc(F)c(Br)c1)c1cnn(-c2ccccc2F)c1 ZINC000438724226 983026553 /nfs/dbraw/zinc/02/65/53/983026553.db2.gz OGLJGVDDXXBWTP-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN O=C1NCCCN1c1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000438764160 983055451 /nfs/dbraw/zinc/05/54/51/983055451.db2.gz NOJHQKAMQXIGKJ-UHFFFAOYSA-N 0 2 406.316 3.775 20 0 HHADLN O=S(=O)(Nc1ccnn1CCc1ccccc1)c1ccc(F)c(Br)c1 ZINC000438768136 983058510 /nfs/dbraw/zinc/05/85/10/983058510.db2.gz BPRNEOZPRCZKPB-UHFFFAOYSA-N 0 2 424.295 3.828 20 0 HHADLN CC(C)Cn1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)cn1 ZINC000438778409 983065481 /nfs/dbraw/zinc/06/54/81/983065481.db2.gz ZTJORESGDYHMMI-UHFFFAOYSA-N 0 2 416.478 3.731 20 0 HHADLN CC(C)Cn1cc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)cn1 ZINC000438778545 983066229 /nfs/dbraw/zinc/06/62/29/983066229.db2.gz MHZCRTOXXMGCDS-UHFFFAOYSA-N 0 2 423.432 3.757 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)cs1 ZINC000438783485 983068638 /nfs/dbraw/zinc/06/86/38/983068638.db2.gz DDBDVTVPBBICFI-UHFFFAOYSA-N 0 2 404.469 3.831 20 0 HHADLN CC[C@@H](C)Oc1cccc(NS(=O)(=O)c2cnn(-c3ccccc3OC)c2)c1 ZINC000438806810 983083015 /nfs/dbraw/zinc/08/30/15/983083015.db2.gz BHCNZTNNGNYDCO-OAHLLOKOSA-N 0 2 401.488 3.859 20 0 HHADLN CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000438892445 983140006 /nfs/dbraw/zinc/14/00/06/983140006.db2.gz CLSWTAFGDDDFHN-JQWIXIFHSA-N 0 2 417.731 3.621 20 0 HHADLN CN(Cc1nc(-c2cccnc2)no1)C(=O)c1cc(Cl)cc(Br)c1O ZINC000438894741 983140911 /nfs/dbraw/zinc/14/09/11/983140911.db2.gz KSZUIBCEIKVLHN-UHFFFAOYSA-N 0 2 423.654 3.525 20 0 HHADLN CCOC(=O)CC1CCN(C(=O)c2cc(Cl)cc(Br)c2O)CC1 ZINC000438906043 983146238 /nfs/dbraw/zinc/14/62/38/983146238.db2.gz VMKZZHHGJMRMKH-UHFFFAOYSA-N 0 2 404.688 3.614 20 0 HHADLN Cc1c([C@@H](C)NC(=O)C2=NN(c3ccccc3)CC2=O)cnn1-c1ccc(F)cc1 ZINC000438938124 983165710 /nfs/dbraw/zinc/16/57/10/983165710.db2.gz NIQZFQXTUWTMMN-CQSZACIVSA-N 0 2 405.433 3.702 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)=N1 ZINC000438951810 983174050 /nfs/dbraw/zinc/17/40/50/983174050.db2.gz VYZRSSFOCNEFQD-FQEVSTJZSA-N 0 2 413.424 3.632 20 0 HHADLN O=S(=O)(Nc1ccc2c(c1)CN(CC(F)F)C2)c1cnc(-c2ccccc2)nc1 ZINC000438985980 983195869 /nfs/dbraw/zinc/19/58/69/983195869.db2.gz PQALVDMZSIUKOK-UHFFFAOYSA-N 0 2 416.453 3.525 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N(C)Cc2ccc(Br)o2)=N1 ZINC000438998858 983202004 /nfs/dbraw/zinc/20/20/04/983202004.db2.gz JMVCWVRPRGDSFC-UHFFFAOYSA-N 0 2 404.264 3.768 20 0 HHADLN NC(=O)c1cccc(S(=O)(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cn2)c1 ZINC000439015086 983211446 /nfs/dbraw/zinc/21/14/46/983211446.db2.gz NBXMKCXMBMQECK-UHFFFAOYSA-N 0 2 421.400 3.667 20 0 HHADLN COc1ccc(CNC(=O)C2=NN(c3ccccc3)CC2=O)cc1OC1CCCC1 ZINC000439188513 983299669 /nfs/dbraw/zinc/29/96/69/983299669.db2.gz MIZLASRLVQIRIF-UHFFFAOYSA-N 0 2 407.470 3.838 20 0 HHADLN CC(C)(C)OC(=O)[C@@]12CCC[C@H]1CN(C(=O)N=c1nc(-c3ccsc3)[nH]s1)C2 ZINC000439377886 983385667 /nfs/dbraw/zinc/38/56/67/983385667.db2.gz KNQCPDRZJCJVCD-ORAYPTAESA-N 0 2 420.560 3.664 20 0 HHADLN Cn1nccc1[C@H]1CCCCN1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000439378639 983386048 /nfs/dbraw/zinc/38/60/48/983386048.db2.gz ZVPDTBXLCMPOHW-OAHLLOKOSA-N 0 2 402.911 3.773 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2-c2nncn2C(C)C)c1 ZINC000439887863 983570967 /nfs/dbraw/zinc/57/09/67/983570967.db2.gz LHUASNBGUYICFG-UHFFFAOYSA-N 0 2 406.895 3.989 20 0 HHADLN CCCNC(=O)c1ccc(NS(=O)(=O)c2cc(C)c(F)cc2F)cc1Cl ZINC000440278199 983704987 /nfs/dbraw/zinc/70/49/87/983704987.db2.gz DWCXLACYXOBLLQ-UHFFFAOYSA-N 0 2 402.850 3.867 20 0 HHADLN CC(C)(C)c1nc2ccc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)cc2s1 ZINC000440826986 983925613 /nfs/dbraw/zinc/92/56/13/983925613.db2.gz OTIPHQWKGYHVGI-UHFFFAOYSA-N 0 2 420.560 3.943 20 0 HHADLN COc1cc2[nH]c(CCCNC(=O)N=c3nc(C(C)(C)C)[nH]s3)cc2c(OC)c1 ZINC000441227291 984125799 /nfs/dbraw/zinc/12/57/99/984125799.db2.gz PNUYVPFQODZIMY-UHFFFAOYSA-N 0 2 417.535 3.510 20 0 HHADLN CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)c1 ZINC000441377943 984219205 /nfs/dbraw/zinc/21/92/05/984219205.db2.gz GZUJOTRSTFFNSV-UHFFFAOYSA-N 0 2 413.879 3.725 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N(Cc2ccccc2)[C@@H]2CCCC2(C)C)s[nH]1 ZINC000441988291 984581713 /nfs/dbraw/zinc/58/17/13/984581713.db2.gz DTNTUQWBRBAJRF-MRXNPFEDSA-N 0 2 414.575 3.804 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1cc(Cc2ccccc2)ccc1O ZINC000442347025 984853037 /nfs/dbraw/zinc/85/30/37/984853037.db2.gz CZUQZXUYYSJFFV-UHFFFAOYSA-N 0 2 411.479 3.961 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N2CCCCC[C@@H]2/C=C/c2cccs2)s[nH]1 ZINC000442484774 984987282 /nfs/dbraw/zinc/98/72/82/984987282.db2.gz XLFUNOLEBXIQLS-PLSXKVAHSA-N 0 2 418.588 3.742 20 0 HHADLN Cc1ccc(-c2nsc(NS(=O)(=O)c3c(C)ccc4cccnc43)n2)s1 ZINC000442604277 985087018 /nfs/dbraw/zinc/08/70/18/985087018.db2.gz KIXAZCKHWMDQKT-UHFFFAOYSA-N 0 2 402.526 3.654 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)c2ccc(F)c(F)c2)c(F)c1Cl ZINC000462142333 985113136 /nfs/dbraw/zinc/11/31/36/985113136.db2.gz UQEGTFDHMSQUBL-ZETCQYMHSA-N 0 2 424.803 3.894 20 0 HHADLN CC(C)(CC(=O)NCc1nnc(COc2ccccc2)[nH]1)CC(=O)c1ccccc1 ZINC000442754124 985204429 /nfs/dbraw/zinc/20/44/29/985204429.db2.gz VYRQRLGAZZHZBH-UHFFFAOYSA-N 0 2 406.486 3.689 20 0 HHADLN O=S(=O)(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cnccc1C(F)(F)F ZINC000442806585 985221079 /nfs/dbraw/zinc/22/10/79/985221079.db2.gz CESWTLILGPTODK-UHFFFAOYSA-N 0 2 400.378 3.943 20 0 HHADLN CC(=O)N(Cc1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1)C(C)C ZINC000442810731 985223054 /nfs/dbraw/zinc/22/30/54/985223054.db2.gz BIZZTEGGGCZJDM-UHFFFAOYSA-N 0 2 415.437 3.658 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cc2ccccc2)c(OC)c1 ZINC000442824433 985229419 /nfs/dbraw/zinc/22/94/19/985229419.db2.gz LHQLCMBNBQRZHA-UHFFFAOYSA-N 0 2 411.479 3.873 20 0 HHADLN Cc1c(NS(=O)(=O)c2cnccc2C(F)(F)F)cnn1-c1ccccc1F ZINC000442827301 985231202 /nfs/dbraw/zinc/23/12/02/985231202.db2.gz LAKKSDJDSWKYKN-UHFFFAOYSA-N 0 2 400.357 3.534 20 0 HHADLN Cc1cc(C)n(-c2ccc(NC(=O)N3CCN(C(C)c4ccsc4)CC3)cn2)n1 ZINC000462250829 985233614 /nfs/dbraw/zinc/23/36/14/985233614.db2.gz BJFHLDDFHLLHOR-QGZVFWFLSA-N 0 2 410.547 3.856 20 0 HHADLN C[C@H](c1cccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000462255934 985240872 /nfs/dbraw/zinc/24/08/72/985240872.db2.gz RXJWQRYXJHRFEW-REHUZNOOSA-N 0 2 422.573 3.722 20 0 HHADLN Cc1nccnc1N1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CC1 ZINC000442977525 985313071 /nfs/dbraw/zinc/31/30/71/985313071.db2.gz APGFXEPIZYDHDC-UHFFFAOYSA-N 0 2 408.889 3.773 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC2(c3ccccc3F)CC2)c(F)c1Cl ZINC000462332169 985322355 /nfs/dbraw/zinc/32/23/55/985322355.db2.gz FVDRUVWFLBMPKL-UHFFFAOYSA-N 0 2 418.824 3.683 20 0 HHADLN CC(C)[C@H](C)N1Cc2cccc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)c2C1 ZINC000462377233 985361685 /nfs/dbraw/zinc/36/16/85/985361685.db2.gz ADQZPGWKLNJFAD-INIZCTEOSA-N 0 2 415.559 3.549 20 0 HHADLN CC(C)[C@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cccc(C(=O)N(C)C)c3)c2C1 ZINC000462377233 985361695 /nfs/dbraw/zinc/36/16/95/985361695.db2.gz ADQZPGWKLNJFAD-INIZCTEOSA-N 0 2 415.559 3.549 20 0 HHADLN CC(C)[C@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cccc(C(=O)N(C)C)c3)c2C1 ZINC000462377233 985361706 /nfs/dbraw/zinc/36/17/06/985361706.db2.gz ADQZPGWKLNJFAD-INIZCTEOSA-N 0 2 415.559 3.549 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc2c(s1)CCCCCC2 ZINC000443127335 985393415 /nfs/dbraw/zinc/39/34/15/985393415.db2.gz BLPROMYNOZBKPF-UHFFFAOYSA-N 0 2 400.547 3.759 20 0 HHADLN Cc1c(F)c(C(F)(F)F)ccc1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000443129837 985394832 /nfs/dbraw/zinc/39/48/32/985394832.db2.gz HKIWYJNUVDYYAE-UHFFFAOYSA-N 0 2 408.355 3.780 20 0 HHADLN Cc1ccc(Cc2nnc(NS(=O)(=O)c3cnccc3C(F)(F)F)s2)cc1 ZINC000443145939 985406657 /nfs/dbraw/zinc/40/66/57/985406657.db2.gz JPOYJNKRPRARRR-UHFFFAOYSA-N 0 2 414.434 3.652 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)c2cc(C)oc2C)c(F)c1Cl ZINC000462510267 985461799 /nfs/dbraw/zinc/46/17/99/985461799.db2.gz KSWJAFZYNSFCQS-MRVPVSSYSA-N 0 2 406.838 3.826 20 0 HHADLN COC(=O)COc1ccc(NS(=O)(=O)c2ccc(C)cc2F)c2ccccc12 ZINC000467932350 985566247 /nfs/dbraw/zinc/56/62/47/985566247.db2.gz VOMQHZWOHBGTKA-UHFFFAOYSA-N 0 2 403.431 3.640 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)ccc1C ZINC000443411812 985567703 /nfs/dbraw/zinc/56/77/03/985567703.db2.gz XQZVRFWCDRTRSY-UHFFFAOYSA-N 0 2 424.526 3.892 20 0 HHADLN Cc1cnn(-c2ccncc2NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000443420015 985576902 /nfs/dbraw/zinc/57/69/02/985576902.db2.gz XWERIMYMWOBIAQ-UHFFFAOYSA-N 0 2 400.357 3.534 20 0 HHADLN COc1ccc(-c2nc3ccccc3[nH]2)cc1NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000443424275 985582041 /nfs/dbraw/zinc/58/20/41/985582041.db2.gz UJZPILPKZIJKHE-HNNXBMFYSA-N 0 2 401.488 3.549 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1-c1ccc(F)cc1)c1cnn([C@H]2CCOC2)c1 ZINC000443452188 985620343 /nfs/dbraw/zinc/62/03/43/985620343.db2.gz FGUCPDPDPUCYDA-INIZCTEOSA-N 0 2 405.426 3.591 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1OCCC(F)(F)F)c1c[nH]c2ncccc12 ZINC000443527036 985697677 /nfs/dbraw/zinc/69/76/77/985697677.db2.gz GDEVHDGNRJIPSF-UHFFFAOYSA-N 0 2 403.357 3.834 20 0 HHADLN Cc1cccc(OCCC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000443575698 985750596 /nfs/dbraw/zinc/75/05/96/985750596.db2.gz IVXMGVKXNPSFNE-UHFFFAOYSA-N 0 2 417.512 3.660 20 0 HHADLN Cc1cccc([C@H](C)C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000443586421 985762177 /nfs/dbraw/zinc/76/21/77/985762177.db2.gz VMASNATVMYGBMW-AWEZNQCLSA-N 0 2 401.513 3.995 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N(C)CCc3cccc(Br)c3)c[nH]c2n1 ZINC000462844701 985768854 /nfs/dbraw/zinc/76/88/54/985768854.db2.gz LXCWNEMYVAMMCP-UHFFFAOYSA-N 0 2 400.276 3.721 20 0 HHADLN Cn1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c2ccccc21 ZINC000443596337 985773398 /nfs/dbraw/zinc/77/33/98/985773398.db2.gz YDSJXEXXLWBCSE-UHFFFAOYSA-N 0 2 412.496 3.688 20 0 HHADLN Cc1c([C@H]2OCC[C@@H]2C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cnn1C ZINC000443679341 985889638 /nfs/dbraw/zinc/88/96/38/985889638.db2.gz ZLEROQIVMHRLNF-NHYWBVRUSA-N 0 2 421.288 3.537 20 0 HHADLN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)Nc1cc(Cl)c(O)c(Cl)c1)C2=O ZINC000463103977 986064929 /nfs/dbraw/zinc/06/49/29/986064929.db2.gz CBGSNACAJLGTQF-GOSISDBHSA-N 0 2 414.289 3.528 20 0 HHADLN O=C(Cn1cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cn1)NC1CCCCC1 ZINC000463104030 986065157 /nfs/dbraw/zinc/06/51/57/986065157.db2.gz AKVJQVINVPTCDO-UHFFFAOYSA-N 0 2 411.289 3.597 20 0 HHADLN O=C(CCNC(=O)N1CCc2ccccc2C1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000463110310 986072600 /nfs/dbraw/zinc/07/26/00/986072600.db2.gz TUFQWVAFNCMLPY-UHFFFAOYSA-N 0 2 408.285 3.796 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cc(F)c(SC)c(F)c1 ZINC000468373542 986073244 /nfs/dbraw/zinc/07/32/44/986073244.db2.gz QCXQVOCWBYPZGF-UHFFFAOYSA-N 0 2 407.435 3.652 20 0 HHADLN O=C(NCc1ccc(C(F)F)cc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000463131238 986097002 /nfs/dbraw/zinc/09/70/02/986097002.db2.gz ZFIREBIQXDDHNT-UHFFFAOYSA-N 0 2 423.466 3.812 20 0 HHADLN O=C(CCCNC(=O)c1ccco1)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463161058 986133466 /nfs/dbraw/zinc/13/34/66/986133466.db2.gz GXFMOQJXXKMERE-UHFFFAOYSA-N 0 2 408.245 3.520 20 0 HHADLN CC(C)CC(=O)N[C@@H](C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)C(C)C ZINC000463168810 986140722 /nfs/dbraw/zinc/14/07/22/986140722.db2.gz ZENWNUPRDAKIMJ-OAHLLOKOSA-N 0 2 412.321 3.904 20 0 HHADLN COCc1nnc([C@@H]2CCCCN2Cc2nc3ccc(Br)cc3o2)[nH]1 ZINC000463196642 986168820 /nfs/dbraw/zinc/16/88/20/986168820.db2.gz FEBBZOPHJOAVPH-ZDUSSCGKSA-N 0 2 406.284 3.582 20 0 HHADLN CC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000444051353 986250778 /nfs/dbraw/zinc/25/07/78/986250778.db2.gz SMWJCZLOBOMQRW-UHFFFAOYSA-N 0 2 424.588 3.985 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000468549831 986256490 /nfs/dbraw/zinc/25/64/90/986256490.db2.gz VZNLSQPWGYWDKB-SNVBAGLBSA-N 0 2 421.849 3.841 20 0 HHADLN O=S(=O)(Nc1nnc(/C=C\c2ccco2)s1)c1cnc(-c2ccccc2)nc1 ZINC000444061145 986262917 /nfs/dbraw/zinc/26/29/17/986262917.db2.gz ZJSQLIKTFIHUTN-HJWRWDBZSA-N 0 2 411.468 3.559 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3cccc(Br)c3C)o2)c(C)o1 ZINC000444061975 986263757 /nfs/dbraw/zinc/26/37/57/986263757.db2.gz GMSINCBSZCLZRE-UHFFFAOYSA-N 0 2 412.265 3.818 20 0 HHADLN CC(C)c1nnc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)o1 ZINC000444061559 986264074 /nfs/dbraw/zinc/26/40/74/986264074.db2.gz YEUITDMBFSFYEW-ZDUSSCGKSA-N 0 2 415.899 3.595 20 0 HHADLN Cn1cc(-c2[nH]ncc2C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)cn1 ZINC000444078401 986279267 /nfs/dbraw/zinc/27/92/67/986279267.db2.gz VOWGQHOOJCKURE-UHFFFAOYSA-N 0 2 403.408 3.681 20 0 HHADLN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000468611584 986326198 /nfs/dbraw/zinc/32/61/98/986326198.db2.gz NIKZFMJSGPTNFA-IBGZPJMESA-N 0 2 401.470 3.925 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC(CN4CCCCC4=O)CC3)=N2)cc1 ZINC000468615864 986331573 /nfs/dbraw/zinc/33/15/73/986331573.db2.gz SXHTWINAGWAAJG-UHFFFAOYSA-N 0 2 424.545 3.566 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)Nc3cc(Br)c[nH]c3=O)=N2)cc1 ZINC000468621734 986337974 /nfs/dbraw/zinc/33/79/74/986337974.db2.gz YMNVLQOUKHCLJY-UHFFFAOYSA-N 0 2 417.263 3.817 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)=N1 ZINC000468670558 986378981 /nfs/dbraw/zinc/37/89/81/986378981.db2.gz DWGWUQQZDJHQDM-UHFFFAOYSA-N 0 2 413.424 3.848 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@H](c2ccccc2)c2cccnc2)=N1 ZINC000468696650 986410344 /nfs/dbraw/zinc/41/03/44/986410344.db2.gz XVKGPXGTKWDLFR-OAQYLSRUSA-N 0 2 402.429 3.940 20 0 HHADLN COc1cc(C)c(CN(C)C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)cc1OC ZINC000468732888 986446127 /nfs/dbraw/zinc/44/61/27/986446127.db2.gz IMOBFTDYAUDDIB-UHFFFAOYSA-N 0 2 413.449 3.623 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C)[C@H](C)c2ccc([S@](C)=O)cc2)=N1 ZINC000468748191 986461482 /nfs/dbraw/zinc/46/14/82/986461482.db2.gz NVGNGBMIEAYYJW-ONSXPEOJSA-N 0 2 415.490 3.596 20 0 HHADLN COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1-n1ccc(C)n1 ZINC000468781647 986493406 /nfs/dbraw/zinc/49/34/06/986493406.db2.gz BGVNIMODLOUDMB-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN COc1cc(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)ccc1F ZINC000468860441 986569812 /nfs/dbraw/zinc/56/98/12/986569812.db2.gz GQPATIXJNNAKNV-UHFFFAOYSA-N 0 2 405.432 3.900 20 0 HHADLN Cc1cc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)nn1-c1c(F)cccc1F ZINC000468881657 986588223 /nfs/dbraw/zinc/58/82/23/986588223.db2.gz HKMVSUWWLCEIBO-UHFFFAOYSA-N 0 2 403.439 3.713 20 0 HHADLN Cc1ccn(-c2ccccc2NS(=O)(=O)c2cc(Br)ccc2F)n1 ZINC000468890668 986597432 /nfs/dbraw/zinc/59/74/32/986597432.db2.gz HNSKIYYMCZTZMQ-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cnccc1Oc1ccccc1 ZINC000468911312 986618403 /nfs/dbraw/zinc/61/84/03/986618403.db2.gz JXBCIJILDDTFGF-UHFFFAOYSA-N 0 2 418.446 3.839 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc2c(cc(C)cc2C)s1 ZINC000468950234 986654156 /nfs/dbraw/zinc/65/41/56/986654156.db2.gz LOWIIHLZIQAZJD-UHFFFAOYSA-N 0 2 410.492 3.878 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)[C@@H]3C[C@H]3c3cc(F)c(F)c(F)c3)s[nH]2)c1 ZINC000463730007 986716527 /nfs/dbraw/zinc/71/65/27/986716527.db2.gz QJMGLBBSTISJFP-QWHCGFSZSA-N 0 2 405.401 3.795 20 0 HHADLN COc1cc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)cc(OC)c1OC(F)F ZINC000463739749 986726552 /nfs/dbraw/zinc/72/65/52/986726552.db2.gz PIDIXXYNZNMXQB-UHFFFAOYSA-N 0 2 424.791 3.996 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc2c(ccc(F)c2C)s1 ZINC000469047485 986757645 /nfs/dbraw/zinc/75/76/45/986757645.db2.gz UPXOPTSXMTUPAJ-UHFFFAOYSA-N 0 2 414.455 3.709 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2c(C)noc2-c2ccccc2)cc1Cl ZINC000463786410 986777138 /nfs/dbraw/zinc/77/71/38/986777138.db2.gz KNJNVJVRCVBCLV-UHFFFAOYSA-N 0 2 406.847 3.891 20 0 HHADLN CS(=O)(=O)[C@@H]1CCCCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)C1 ZINC000444637408 986823551 /nfs/dbraw/zinc/82/35/51/986823551.db2.gz GFQYOHVDKJWSRD-MRXNPFEDSA-N 0 2 407.919 3.752 20 0 HHADLN CCS(=O)(=O)C1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CC1 ZINC000444765482 986925782 /nfs/dbraw/zinc/92/57/82/986925782.db2.gz ZRIQIYHDWHPEFW-UHFFFAOYSA-N 0 2 407.919 3.752 20 0 HHADLN CC(=O)Nc1ccc(CCNC(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)cc1 ZINC000469663082 987320240 /nfs/dbraw/zinc/32/02/40/987320240.db2.gz CPHULOCPSRRRGU-UHFFFAOYSA-N 0 2 406.486 3.632 20 0 HHADLN COC[C@@H](C)CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000445525599 987580587 /nfs/dbraw/zinc/58/05/87/987580587.db2.gz WILCHELPDKUQNR-LBPRGKRZSA-N 0 2 414.886 3.891 20 0 HHADLN O=S(=O)(Nc1ccccc1Cl)c1ccc(O)c(-c2nc(-c3cocn3)no2)c1 ZINC000445557644 987617819 /nfs/dbraw/zinc/61/78/19/987617819.db2.gz LMYNHQSABUGSBN-UHFFFAOYSA-N 0 2 418.818 3.551 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000470436357 988405821 /nfs/dbraw/zinc/40/58/21/988405821.db2.gz NLHLSUWCBQKYSS-UHFFFAOYSA-N 0 2 404.444 3.756 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)NCc1cccc(-c2cccnc2)c1 ZINC000464311039 988440058 /nfs/dbraw/zinc/44/00/58/988440058.db2.gz LZHKLKDUVAEEMV-UHFFFAOYSA-N 0 2 405.483 3.801 20 0 HHADLN CSc1ccc(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ncccn2)cc1Cl ZINC000464406322 988574313 /nfs/dbraw/zinc/57/43/13/988574313.db2.gz DCMHXJJEFGXSQY-UHFFFAOYSA-N 0 2 421.935 3.716 20 0 HHADLN C[C@H](CN(C)C(=O)c1c[nH]c2c(cnn2C)c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000470724061 988751579 /nfs/dbraw/zinc/75/15/79/988751579.db2.gz QYOIVKFPGNDZPO-SNVBAGLBSA-N 0 2 409.273 3.520 20 0 HHADLN Cc1c(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cccc1C(F)(F)F ZINC000471137379 989248892 /nfs/dbraw/zinc/24/88/92/989248892.db2.gz PLGUJDOTAUCEFN-UHFFFAOYSA-N 0 2 402.369 3.838 20 0 HHADLN CC(C)CCc1cc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)n[nH]1 ZINC000471417433 989594586 /nfs/dbraw/zinc/59/45/86/989594586.db2.gz DXOYEUQYCAGPHY-UHFFFAOYSA-N 0 2 419.532 3.508 20 0 HHADLN CCOc1cccc(CNC(=O)N=c2nc(C(C)(C)C)[nH]s2)c1OC(F)F ZINC000465256946 989608147 /nfs/dbraw/zinc/60/81/47/989608147.db2.gz PVGOWAQKJVYSJC-UHFFFAOYSA-N 0 2 400.451 3.579 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1ccc(Br)c(F)c1 ZINC000471507883 989706635 /nfs/dbraw/zinc/70/66/35/989706635.db2.gz ODWMIOBZIRRWDV-UHFFFAOYSA-N 0 2 420.310 3.969 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3ccc(OC)c(C)c3C)s2)c1 ZINC000471508963 989707125 /nfs/dbraw/zinc/70/71/25/989707125.db2.gz YNLNKKNYCDHGTB-UHFFFAOYSA-N 0 2 419.528 3.564 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2cc(OC)ccc2OC)s1)c1ccccc1 ZINC000471513245 989712220 /nfs/dbraw/zinc/71/22/20/989712220.db2.gz SWASTPWWPQEFOX-HNNXBMFYSA-N 0 2 419.528 3.898 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cc(CC4CCCCC4)n[nH]3)cc21 ZINC000471520038 989719465 /nfs/dbraw/zinc/71/94/65/989719465.db2.gz NOLFKCRDAFLRJD-UHFFFAOYSA-N 0 2 416.547 3.632 20 0 HHADLN Cc1cn([C@@H](C)c2ccccc2)nc1NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000471580243 989783080 /nfs/dbraw/zinc/78/30/80/989783080.db2.gz HBOFIVDDPRMASD-ZJBJCVSYSA-N 0 2 415.559 3.938 20 0 HHADLN O=S(=O)(Nc1ccc2n[nH]cc2c1)c1cc(Cl)c(Br)cc1F ZINC000471626523 989833966 /nfs/dbraw/zinc/83/39/66/989833966.db2.gz QEVCDPOWBCQFBG-UHFFFAOYSA-N 0 2 404.648 3.919 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 ZINC000471899714 990069921 /nfs/dbraw/zinc/06/99/21/990069921.db2.gz CPTFWNUMZNDFIL-HXUWFJFHSA-N 0 2 424.526 3.681 20 0 HHADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccc(Br)cc2)n1 ZINC000471941207 990105176 /nfs/dbraw/zinc/10/51/76/990105176.db2.gz FLYFBNMJNADAED-UHFFFAOYSA-N 0 2 416.347 3.560 20 0 HHADLN O=S(=O)(Nc1ccnn1-c1cccc(F)c1)c1cc(Br)ccc1F ZINC000471943572 990107870 /nfs/dbraw/zinc/10/78/70/990107870.db2.gz PGTCAFQAMBWLEW-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1cc(-c2nc3cc(F)ccc3n2C)ccc1C ZINC000471956687 990121491 /nfs/dbraw/zinc/12/14/91/990121491.db2.gz SKIYJTKISLNMFW-UHFFFAOYSA-N 0 2 413.478 3.705 20 0 HHADLN O=S(=O)(Nc1ccc2nc(Cc3ccccc3)oc2c1)c1cccc2c1OCCO2 ZINC000466290069 991538757 /nfs/dbraw/zinc/53/87/57/991538757.db2.gz RJQOMUBUSVFPLO-UHFFFAOYSA-N 0 2 422.462 3.991 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3ccc(N4CCCCC4)cn3)cc2F)c1 ZINC000466382766 991670127 /nfs/dbraw/zinc/67/01/27/991670127.db2.gz IMEGZWYAMIZOGJ-UHFFFAOYSA-N 0 2 415.494 3.506 20 0 HHADLN COc1ccc(-c2cncc(C(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)c2)cc1 ZINC000466406325 991700912 /nfs/dbraw/zinc/70/09/12/991700912.db2.gz KNLQRMPOKPNMNU-UHFFFAOYSA-N 0 2 406.467 3.740 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3cnn(-c4ccc(C)cc4C)c3)cc2C[C@@H]1C ZINC000466415316 991706840 /nfs/dbraw/zinc/70/68/40/991706840.db2.gz FXAVTHLHHVBFPC-INIZCTEOSA-N 0 2 424.526 3.587 20 0 HHADLN CC[C@H](C)c1ccc(S(=O)(=O)Nc2nc3ccc(Br)cn3n2)cc1 ZINC000466969806 992281767 /nfs/dbraw/zinc/28/17/67/992281767.db2.gz TYZNUVLCSLGOLV-NSHDSACASA-N 0 2 409.309 3.806 20 0 HHADLN O=S(=O)(Nc1cc(Cl)c(Cl)cn1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000467017931 992324744 /nfs/dbraw/zinc/32/47/44/992324744.db2.gz BAJHJLKGMUOEEZ-JTQLQIEISA-N 0 2 421.277 3.744 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)c(C)c1 ZINC000472436113 993437823 /nfs/dbraw/zinc/43/78/23/993437823.db2.gz ZYOGUCNUQRQYKK-UHFFFAOYSA-N 0 2 423.903 3.754 20 0 HHADLN Cn1nc(CCNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c2ccccc21 ZINC000481495092 994328194 /nfs/dbraw/zinc/32/81/94/994328194.db2.gz RVFVADXJXPPUAV-UHFFFAOYSA-N 0 2 412.906 3.531 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cccc(CCC(F)(F)F)c2)cnn1-c1ccccn1 ZINC000481590802 994437051 /nfs/dbraw/zinc/43/70/51/994437051.db2.gz HCONEKBNBBVKHO-UHFFFAOYSA-N 0 2 410.421 3.871 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1cccc(OCC(F)(F)F)c1 ZINC000473647757 994531629 /nfs/dbraw/zinc/53/16/29/994531629.db2.gz ILRVEKRJEBBNDE-UHFFFAOYSA-N 0 2 421.379 3.647 20 0 HHADLN CCOc1ccc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1Cl ZINC000473652266 994536951 /nfs/dbraw/zinc/53/69/51/994536951.db2.gz NPVHTIBJTXPDFN-UHFFFAOYSA-N 0 2 401.854 3.758 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1cccc(Cl)c1-n1cccn1 ZINC000473661315 994548986 /nfs/dbraw/zinc/54/89/86/994548986.db2.gz GAYULIOLASJOAM-UHFFFAOYSA-N 0 2 423.864 3.545 20 0 HHADLN Cc1c(Br)cccc1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473672278 994561400 /nfs/dbraw/zinc/56/14/00/994561400.db2.gz ARIMXRFHYUIUKQ-UHFFFAOYSA-N 0 2 416.279 3.776 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(F)cc1OCC1CC1 ZINC000473716177 994608574 /nfs/dbraw/zinc/60/85/74/994608574.db2.gz UOIOPUZIONBPHA-UHFFFAOYSA-N 0 2 411.437 3.633 20 0 HHADLN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3nnc(C(F)F)s3)ccc2s1 ZINC000481816604 994665971 /nfs/dbraw/zinc/66/59/71/994665971.db2.gz PLXDTTIIROEVHW-UHFFFAOYSA-N 0 2 419.456 3.668 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2c(C)cnn2-c2ccccc2)c(Br)c1 ZINC000481839311 994691434 /nfs/dbraw/zinc/69/14/34/994691434.db2.gz STSUMGSLNSRORF-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(Cl)cc1OC(F)F ZINC000473778703 994701167 /nfs/dbraw/zinc/70/11/67/994701167.db2.gz WJHDVBLBPGOOHX-UHFFFAOYSA-N 0 2 423.807 3.960 20 0 HHADLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)s1 ZINC000481849568 994705757 /nfs/dbraw/zinc/70/57/57/994705757.db2.gz RSTRKKHRGJVTQN-UHFFFAOYSA-N 0 2 415.475 3.639 20 0 HHADLN CCOC(=O)c1oc(NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)nc1C ZINC000481946967 994827374 /nfs/dbraw/zinc/82/73/74/994827374.db2.gz XSUZHCVWUMQZSG-UHFFFAOYSA-N 0 2 416.455 3.540 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000473887959 994838234 /nfs/dbraw/zinc/83/82/34/994838234.db2.gz YACHJRWIWZJZRE-FQEVSTJZSA-N 0 2 411.893 3.988 20 0 HHADLN CC(C)(C)c1ccc(CCNC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000473892046 994844964 /nfs/dbraw/zinc/84/49/64/994844964.db2.gz DRAWNAFZPCIESO-UHFFFAOYSA-N 0 2 407.518 3.723 20 0 HHADLN O=C(N[C@H](c1ccccc1)C(F)F)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000482048970 994972619 /nfs/dbraw/zinc/97/26/19/994972619.db2.gz YZJCUGBZFHQHPC-OAHLLOKOSA-N 0 2 423.466 3.680 20 0 HHADLN Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2nnc(COc3ccccc3)[nH]2)o1 ZINC000474079015 995064312 /nfs/dbraw/zinc/06/43/12/995064312.db2.gz CNMUXLCMOCPVFE-CRAIPNDOSA-N 0 2 409.490 3.968 20 0 HHADLN C[C@H](c1c(F)cccc1F)N(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474083576 995067065 /nfs/dbraw/zinc/06/70/65/995067065.db2.gz WVEBKKIRVRTYEQ-CYBMUJFWSA-N 0 2 401.417 3.565 20 0 HHADLN C[C@@H](c1c(F)cccc1F)N(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474083578 995067229 /nfs/dbraw/zinc/06/72/29/995067229.db2.gz WVEBKKIRVRTYEQ-ZDUSSCGKSA-N 0 2 401.417 3.565 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000474088791 995071866 /nfs/dbraw/zinc/07/18/66/995071866.db2.gz KXUXTEIQHQBILU-UHFFFAOYSA-N 0 2 409.465 3.645 20 0 HHADLN C[C@H]1CN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)CC[C@@H]1c1ccccc1 ZINC000474091425 995073783 /nfs/dbraw/zinc/07/37/83/995073783.db2.gz WZTQFAPVMHGJKM-PXNSSMCTSA-N 0 2 405.502 3.719 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(CC(C)(C)C)n[nH]2)cc1Br ZINC000474427311 995390529 /nfs/dbraw/zinc/39/05/29/995390529.db2.gz PGGLKOOTQYYFBB-UHFFFAOYSA-N 0 2 402.314 3.570 20 0 HHADLN O=C(Nc1cc(F)cc(Cl)c1O)c1ccc(I)c(O)c1 ZINC000474440782 995402154 /nfs/dbraw/zinc/40/21/54/995402154.db2.gz UWBOOSLCWOIBDK-UHFFFAOYSA-N 0 2 407.566 3.747 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000474572573 995534743 /nfs/dbraw/zinc/53/47/43/995534743.db2.gz GHQFSJCKHQXEMO-HOTGVXAUSA-N 0 2 416.403 3.822 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000474572572 995535011 /nfs/dbraw/zinc/53/50/11/995535011.db2.gz GHQFSJCKHQXEMO-CVEARBPZSA-N 0 2 416.403 3.822 20 0 HHADLN O=C(C[C@H](c1ccccc1)C(F)(F)F)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474578727 995539490 /nfs/dbraw/zinc/53/94/90/995539490.db2.gz MCTNEBPDLSVUHE-MRXNPFEDSA-N 0 2 404.392 3.736 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1csc(Cc2ccccc2F)n1 ZINC000474585784 995544866 /nfs/dbraw/zinc/54/48/66/995544866.db2.gz WDTUJXSLHKDHLT-UHFFFAOYSA-N 0 2 423.473 3.500 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cc(-c2ccc(Cl)s2)on1 ZINC000474588958 995548234 /nfs/dbraw/zinc/54/82/34/995548234.db2.gz GUEXKGHCCHYCGH-UHFFFAOYSA-N 0 2 415.862 3.684 20 0 HHADLN CC(C)[C@H](SCc1ccccc1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474591676 995549841 /nfs/dbraw/zinc/54/98/41/995549841.db2.gz KJURLDCGSXSJDW-NRFANRHFSA-N 0 2 410.543 3.958 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NCC3(CCOCc4ccccc4)CC3)=N2)cc1 ZINC000474710696 995650602 /nfs/dbraw/zinc/65/06/02/995650602.db2.gz QQSTVPYOGJEMKM-UHFFFAOYSA-N 0 2 421.497 3.703 20 0 HHADLN CCc1c(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cnn1-c1ccc(OC)cc1 ZINC000474927486 995806039 /nfs/dbraw/zinc/80/60/39/995806039.db2.gz DOUZYWLVDUGLMF-UHFFFAOYSA-N 0 2 424.411 3.759 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cccc(Oc3ccncc3)c2)cc1OC ZINC000483165350 996012879 /nfs/dbraw/zinc/01/28/79/996012879.db2.gz RZHVFKRYDFZPGN-UHFFFAOYSA-N 0 2 404.419 3.831 20 0 HHADLN O=S(=O)(Nc1cccc(Oc2ccncc2)c1)c1cnn(Cc2ccccc2)c1 ZINC000483188731 996027242 /nfs/dbraw/zinc/02/72/42/996027242.db2.gz GQCHETMRLUXHDN-UHFFFAOYSA-N 0 2 406.467 3.920 20 0 HHADLN O=C(Cc1cnc2ccccc2c1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000475484673 996170157 /nfs/dbraw/zinc/17/01/57/996170157.db2.gz DWNZDMJQCNVFCZ-UHFFFAOYSA-N 0 2 424.507 3.673 20 0 HHADLN Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NCC(C)(C)C2=CCCCC2)cn1 ZINC000475664428 996286089 /nfs/dbraw/zinc/28/60/89/996286089.db2.gz YMSCPSFDSBPIPG-UHFFFAOYSA-N 0 2 422.576 3.539 20 0 HHADLN C[C@H](NC(=O)N=c1nc(-c2ccccc2)[nH]s1)c1nc(-c2cccc(F)c2)no1 ZINC000475665371 996287096 /nfs/dbraw/zinc/28/70/96/996287096.db2.gz VWYJKVNVZKLGBN-NSHDSACASA-N 0 2 410.434 3.699 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2ccc(OC)cc2Br)c1C ZINC000475787963 996371311 /nfs/dbraw/zinc/37/13/11/996371311.db2.gz PLFPFBCMKNDTNU-UHFFFAOYSA-N 0 2 402.314 3.564 20 0 HHADLN Cc1ccc(C(C)(C)C)cc1S(O)=CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 ZINC000475871005 996434028 /nfs/dbraw/zinc/43/40/28/996434028.db2.gz QXASGXBGHPHERG-LJAQVGFWSA-N 0 2 420.619 3.506 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)COc3cc(Cl)ccc3Cl)s[nH]2)c1 ZINC000476322001 996755329 /nfs/dbraw/zinc/75/53/29/996755329.db2.gz YNNBKULJYXAMTR-UHFFFAOYSA-N 0 2 410.282 3.960 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cccc(Cn4nc(C)cc4C)c3)s[nH]2)c1 ZINC000476325552 996757224 /nfs/dbraw/zinc/75/72/24/996757224.db2.gz QAWRUHNLARUPGY-UHFFFAOYSA-N 0 2 419.510 3.750 20 0 HHADLN Cn1cc(-c2ncc(C(=O)Nc3nc(-c4cccc5ccccc54)n[nH]3)s2)cn1 ZINC000484435452 996763705 /nfs/dbraw/zinc/76/37/05/996763705.db2.gz FLESFFMIJRSBGB-UHFFFAOYSA-N 0 2 401.455 3.734 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(NC(C)=O)c(SC)c3)s[nH]2)c1 ZINC000476369926 996803439 /nfs/dbraw/zinc/80/34/39/996803439.db2.gz YZZMWNHBEUINQQ-UHFFFAOYSA-N 0 2 414.512 3.568 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000484489008 996811063 /nfs/dbraw/zinc/81/10/63/996811063.db2.gz OZLIRZAJVSFIJB-UHFFFAOYSA-N 0 2 404.444 3.701 20 0 HHADLN C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)c(F)c1 ZINC000476401704 996859753 /nfs/dbraw/zinc/85/97/53/996859753.db2.gz BONIUNYNQYMTJU-NSHDSACASA-N 0 2 423.466 3.713 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1Br ZINC000476416801 996879364 /nfs/dbraw/zinc/87/93/64/996879364.db2.gz SMMLTUNEXRCJGB-UHFFFAOYSA-N 0 2 422.684 3.626 20 0 HHADLN C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476424194 996891027 /nfs/dbraw/zinc/89/10/27/996891027.db2.gz QSJUQIXJZMVCOJ-UGSOOPFHSA-N 0 2 413.524 3.607 20 0 HHADLN CC(C)(C)c1ccccc1S(=O)(=O)Nc1nnc(-c2ccc3c(c2)OCO3)o1 ZINC000476434988 996906107 /nfs/dbraw/zinc/90/61/07/996906107.db2.gz LIYMNNISDBQHFZ-UHFFFAOYSA-N 0 2 401.444 3.564 20 0 HHADLN COc1ccc(Oc2ccc(S(=O)(=O)Nc3ccn(CC(F)F)n3)cc2)cc1 ZINC000484612022 996943863 /nfs/dbraw/zinc/94/38/63/996943863.db2.gz ZJVKHKJJOCUDFI-UHFFFAOYSA-N 0 2 409.414 3.750 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc(F)cc2OC(F)F)c1 ZINC000484625966 996957994 /nfs/dbraw/zinc/95/79/94/996957994.db2.gz ZSBSSGAUZRJXTH-UHFFFAOYSA-N 0 2 407.341 3.544 20 0 HHADLN O=C(N[C@H]1CSc2ccccc21)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476552370 997044767 /nfs/dbraw/zinc/04/47/67/997044767.db2.gz ZOTYDKZMQXIZNB-HNNXBMFYSA-N 0 2 417.537 3.521 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCc2ccc(Cl)cc21 ZINC000476713794 997256982 /nfs/dbraw/zinc/25/69/82/997256982.db2.gz HBSYZBZVZGZPPD-UHFFFAOYSA-N 0 2 419.915 3.800 20 0 HHADLN CCN(Cc1ccccc1C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476716015 997259877 /nfs/dbraw/zinc/25/98/77/997259877.db2.gz LIVPWBSGGCJSAV-UHFFFAOYSA-N 0 2 415.540 3.915 20 0 HHADLN CC(C)NC(=O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000485013948 997378590 /nfs/dbraw/zinc/37/85/90/997378590.db2.gz NQXYIBPIUCRMQX-UHFFFAOYSA-N 0 2 404.385 3.784 20 0 HHADLN O=S(=O)(Nc1ccc(-c2nn[nH]n2)cc1)c1c(Cl)cc(Cl)cc1Cl ZINC000485041877 997406940 /nfs/dbraw/zinc/40/69/40/997406940.db2.gz JNFDXKMXJRMTGQ-UHFFFAOYSA-N 0 2 404.666 3.628 20 0 HHADLN CC(C)(C)c1cc(NS(=O)(=O)c2ccc3ncccc3c2)n(-c2ccccn2)n1 ZINC000476912219 997520628 /nfs/dbraw/zinc/52/06/28/997520628.db2.gz YIYKTWCZVORLBH-UHFFFAOYSA-N 0 2 407.499 3.914 20 0 HHADLN CC1CCC(N(C)C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC1 ZINC000485353654 997776714 /nfs/dbraw/zinc/77/67/14/997776714.db2.gz FVMHOPGXQUYBOG-UHFFFAOYSA-N 0 2 408.549 3.986 20 0 HHADLN C[C@@H](Cc1cccs1)NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485357458 997781559 /nfs/dbraw/zinc/78/15/59/997781559.db2.gz LWEFNVSWNHQLKU-LBPRGKRZSA-N 0 2 422.557 3.758 20 0 HHADLN CC(C)C[C@H]1CCCN1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485374514 997801321 /nfs/dbraw/zinc/80/13/21/997801321.db2.gz GOOMEXZUKMDOGC-OAHLLOKOSA-N 0 2 408.549 3.986 20 0 HHADLN O=C(NCC(F)(F)F)c1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000485376060 997802386 /nfs/dbraw/zinc/80/23/86/997802386.db2.gz ILXWQJULYIYJDA-UHFFFAOYSA-N 0 2 410.776 3.572 20 0 HHADLN CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485389939 997817450 /nfs/dbraw/zinc/81/74/50/997817450.db2.gz LMQDMBRXONOPRF-UHFFFAOYSA-N 0 2 417.314 3.895 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Br)c(OC)c1 ZINC000485392277 997819836 /nfs/dbraw/zinc/81/98/36/997819836.db2.gz SWELPRZUXUHPDB-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN O=S(=O)(Nc1ccccc1-n1cccn1)c1cc(Br)c(F)cc1F ZINC000485414839 997848052 /nfs/dbraw/zinc/84/80/52/997848052.db2.gz UHXOXYYKYZHKJM-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN O=C(CSc1ccccc1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485486462 997938984 /nfs/dbraw/zinc/93/89/84/997938984.db2.gz CRCOGAQYWWVRIO-UHFFFAOYSA-N 0 2 405.526 3.675 20 0 HHADLN Cc1ccc2cc(C(=O)Nc3cccc(S(=O)(=O)Nc4nccs4)c3)[nH]c2c1 ZINC000485488617 997940794 /nfs/dbraw/zinc/94/07/94/997940794.db2.gz KRMUVOJSFPBDCD-UHFFFAOYSA-N 0 2 412.496 3.986 20 0 HHADLN COc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1 ZINC000485488973 997941122 /nfs/dbraw/zinc/94/11/22/997941122.db2.gz IDSWTLXUDYRVIC-UHFFFAOYSA-N 0 2 417.512 3.524 20 0 HHADLN O=C(CCC(=O)c1cccs1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485491814 997944171 /nfs/dbraw/zinc/94/41/71/997944171.db2.gz OSNZEZSLOAEQKT-UHFFFAOYSA-N 0 2 421.525 3.607 20 0 HHADLN Cc1cccc(O[C@H](C)C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000485493037 997946605 /nfs/dbraw/zinc/94/66/05/997946605.db2.gz MHVKPFPKFMIAFA-CQSZACIVSA-N 0 2 417.512 3.658 20 0 HHADLN CCOc1cccc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000485497959 997952521 /nfs/dbraw/zinc/95/25/21/997952521.db2.gz VXJDFPHDKPYXIH-UHFFFAOYSA-N 0 2 403.485 3.595 20 0 HHADLN C[C@H](c1ccccc1Cl)N1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)CC1 ZINC000485641426 998086508 /nfs/dbraw/zinc/08/65/08/998086508.db2.gz ZUCZMIQKHMPUMR-MRXNPFEDSA-N 0 2 410.905 3.750 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000486075352 998522056 /nfs/dbraw/zinc/52/20/56/998522056.db2.gz DWXXKKHNEMUPAR-UHFFFAOYSA-N 0 2 405.501 3.645 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)cc1F ZINC000486486971 998790852 /nfs/dbraw/zinc/79/08/52/998790852.db2.gz LEVOWSWYMYROSO-UHFFFAOYSA-N 0 2 419.240 3.962 20 0 HHADLN CCOCCOc1ccc(Cl)cc1NS(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000486523547 998806799 /nfs/dbraw/zinc/80/67/99/998806799.db2.gz CSUSSQRGVAGOHN-UHFFFAOYSA-N 0 2 415.895 3.573 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1cc(F)c(F)c(F)c1 ZINC000486548179 998819755 /nfs/dbraw/zinc/81/97/55/998819755.db2.gz QXVGVPWZTOEWMT-UHFFFAOYSA-N 0 2 423.203 3.792 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cccc(Br)c2C)n(-c2cc(C)ccn2)n1 ZINC000486550648 998821054 /nfs/dbraw/zinc/82/10/54/998821054.db2.gz QBYJOWDBZAFXKA-UHFFFAOYSA-N 0 2 421.320 3.756 20 0 HHADLN Cn1cc(-c2ccnc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)n2)cn1 ZINC000486571039 998833506 /nfs/dbraw/zinc/83/35/06/998833506.db2.gz AYHRYROKTOWTRX-UHFFFAOYSA-N 0 2 418.693 3.638 20 0 HHADLN CCCc1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)ccn1 ZINC000486586546 998842246 /nfs/dbraw/zinc/84/22/46/998842246.db2.gz PCZKHTRLBOGBEQ-UHFFFAOYSA-N 0 2 402.501 3.544 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(Br)ccc2F)c2cccnc12 ZINC000486596418 998847893 /nfs/dbraw/zinc/84/78/93/998847893.db2.gz BDHVLQUEDBGOAS-UHFFFAOYSA-N 0 2 411.252 3.946 20 0 HHADLN Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)C2=NN(c3ccccc3)CC2=O)cc1 ZINC000486607073 998854036 /nfs/dbraw/zinc/85/40/36/998854036.db2.gz SYACCIZNVMYDPJ-NRFANRHFSA-N 0 2 405.498 3.750 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2nc(C)c(Cc3ccccc3F)s2)c1 ZINC000486628697 998865183 /nfs/dbraw/zinc/86/51/83/998865183.db2.gz WGFZQMNOQHIGSU-UHFFFAOYSA-N 0 2 422.503 3.999 20 0 HHADLN Cc1cc(Br)cnc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000486640193 998870739 /nfs/dbraw/zinc/87/07/39/998870739.db2.gz RMBOAGBWUUDBAA-UHFFFAOYSA-N 0 2 418.272 3.672 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@@H]3CCc4cn(C(C)C)nc4C3)=N2)c1 ZINC000478348999 998907295 /nfs/dbraw/zinc/90/72/95/998907295.db2.gz YLVPPABCSCTGQX-GOSISDBHSA-N 0 2 407.518 3.766 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccs2)ns1)c1ccc(F)c(C(F)(F)F)c1 ZINC000486775745 998935466 /nfs/dbraw/zinc/93/54/66/998935466.db2.gz SSGWZIFJSFJNNV-UHFFFAOYSA-N 0 2 409.411 3.647 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)Nc1ccc(O)c(Cl)c1 ZINC000486949871 999016415 /nfs/dbraw/zinc/01/64/15/999016415.db2.gz JSRVMYZBJMJOJD-UHFFFAOYSA-N 0 2 424.891 3.947 20 0 HHADLN CC[C@H](C)c1ncc(NS(=O)(=O)c2cnn(-c3cc(Cl)ccc3OC)c2)cn1 ZINC000478678356 999084074 /nfs/dbraw/zinc/08/40/74/999084074.db2.gz OQHRWASZTTUCMJ-LBPRGKRZSA-N 0 2 421.910 3.639 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1OC ZINC000478679094 999084505 /nfs/dbraw/zinc/08/45/05/999084505.db2.gz QTNHOWBAVMUUJK-UHFFFAOYSA-N 0 2 423.796 3.955 20 0 HHADLN COc1cc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c(OC)c(C)c1OC ZINC000478681509 999085855 /nfs/dbraw/zinc/08/58/55/999085855.db2.gz OFTPBZRJWNKPFO-UHFFFAOYSA-N 0 2 421.393 3.720 20 0 HHADLN CC[C@H](C)c1ncc(NS(=O)(=O)c2cc(N(C)C)ccc2Br)cn1 ZINC000478687933 999089184 /nfs/dbraw/zinc/08/91/84/999089184.db2.gz ASPMNQTWFMDZNR-NSHDSACASA-N 0 2 413.341 3.619 20 0 HHADLN CC(C)c1ncc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)cn1 ZINC000478689109 999089829 /nfs/dbraw/zinc/08/98/29/999089829.db2.gz DJFNVJIBPXFVRH-UHFFFAOYSA-N 0 2 421.416 3.818 20 0 HHADLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2cc(Br)cc(OC)c2)cn1 ZINC000478708299 999099551 /nfs/dbraw/zinc/09/95/51/999099551.db2.gz AIGCFVDTEZTXCF-SNVBAGLBSA-N 0 2 400.298 3.562 20 0 HHADLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cn1 ZINC000478709489 999099710 /nfs/dbraw/zinc/09/97/10/999099710.db2.gz KMJXNFWUXQYALP-MRVPVSSYSA-N 0 2 406.252 3.832 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C[C@@H]3C=CCCC3)cc2)nc(C)n1 ZINC000487655631 999244099 /nfs/dbraw/zinc/24/40/99/999244099.db2.gz UCJWXHVLHUHXHZ-MRXNPFEDSA-N 0 2 400.504 3.579 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1ccccc1COC1CCOCC1 ZINC000487750941 999276718 /nfs/dbraw/zinc/27/67/18/999276718.db2.gz OOJZWIAKBFMTHW-UHFFFAOYSA-N 0 2 401.513 3.636 20 0 HHADLN O=S(=O)(Nc1nnc(/C=C\c2ccco2)s1)c1cccc(Br)c1 ZINC000479161977 999303377 /nfs/dbraw/zinc/30/33/77/999303377.db2.gz KGGMPGMSPNPEHD-SREVYHEPSA-N 0 2 412.290 3.865 20 0 HHADLN COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2nnc(/C=C\c3ccco3)s2)c1 ZINC000479258109 999351271 /nfs/dbraw/zinc/35/12/71/999351271.db2.gz RMXKARSXAWUKOS-SREVYHEPSA-N 0 2 419.484 3.506 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)cc1Cl ZINC000479261964 999352645 /nfs/dbraw/zinc/35/26/45/999352645.db2.gz UGYYLZOUAYJNBE-UHFFFAOYSA-N 0 2 417.846 3.987 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(/C=C/c3ccco3)s2)cc1OCC ZINC000479273733 999358933 /nfs/dbraw/zinc/35/89/33/999358933.db2.gz DBDSNHQCDDYWCM-JXMROGBWSA-N 0 2 421.500 3.900 20 0 HHADLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000488257018 999412524 /nfs/dbraw/zinc/41/25/24/999412524.db2.gz BJIJTZNSSCXOMS-SNVBAGLBSA-N 0 2 421.853 3.525 20 0 HHADLN O=c1[nH]c2cc(Br)c(S(=O)(=O)Nc3cccc(F)c3)c(Cl)c2o1 ZINC000479481752 999436695 /nfs/dbraw/zinc/43/66/95/999436695.db2.gz AJAONLXYIKUMPT-UHFFFAOYSA-N 0 2 421.631 3.889 20 0 HHADLN CCCOc1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1OCCC ZINC000479485259 999438549 /nfs/dbraw/zinc/43/85/49/999438549.db2.gz FSRJVIPLTAYEJM-UHFFFAOYSA-N 0 2 421.441 3.824 20 0 HHADLN C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cn1 ZINC000488337299 999446952 /nfs/dbraw/zinc/44/69/52/999446952.db2.gz RYGZORZSDJCXRA-QMMMGPOBSA-N 0 2 406.252 3.696 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)ccc1Oc1cccnc1 ZINC000479519985 999457551 /nfs/dbraw/zinc/45/75/51/999457551.db2.gz YJWMVRZQZCSXHW-UHFFFAOYSA-N 0 2 412.393 3.742 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cc(F)c(OC)cc1C ZINC000479551593 999473470 /nfs/dbraw/zinc/47/34/70/999473470.db2.gz FNSXFAPZHCSCSV-UHFFFAOYSA-N 0 2 409.460 3.945 20 0 HHADLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)ccc2O1 ZINC000488406263 999477507 /nfs/dbraw/zinc/47/75/07/999477507.db2.gz ADPKYCRBBPFESX-LLVKDONJSA-N 0 2 421.931 3.907 20 0 HHADLN O=S(=O)(Nc1cnc2c(c1)CCCC2)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000488428268 999484479 /nfs/dbraw/zinc/48/44/79/999484479.db2.gz VZNBKXSKWYGADB-AWEZNQCLSA-N 0 2 422.934 3.830 20 0 HHADLN COCc1nc(CNC(=O)C2=NN(c3ccccc3)CC2=O)c(-c2ccccc2)s1 ZINC000488550213 999524650 /nfs/dbraw/zinc/52/46/50/999524650.db2.gz PILAUOURXBWVDT-UHFFFAOYSA-N 0 2 420.494 3.778 20 0 HHADLN O=C(NCCCCc1nc(-c2cccnc2)cs1)C1=NN(c2ccccc2)CC1=O ZINC000479677737 999532963 /nfs/dbraw/zinc/53/29/63/999532963.db2.gz PSFPAGLJHPTDNE-UHFFFAOYSA-N 0 2 419.510 3.849 20 0 HHADLN Cc1ccc(-n2nc(C(C)(C)C)cc2NS(=O)(=O)c2cnn(CC(F)F)c2)cc1 ZINC000488602905 999543057 /nfs/dbraw/zinc/54/30/57/999543057.db2.gz YVKLQMBEAPXBEY-UHFFFAOYSA-N 0 2 423.489 3.741 20 0 HHADLN CC(C)(C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000479777212 999586377 /nfs/dbraw/zinc/58/63/77/999586377.db2.gz OHMFAVVRNJMTBF-NXHRZFHOSA-N 0 2 411.502 3.693 20 0 HHADLN CO[C@@H]1CCC[C@H](CC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)C1 ZINC000479968400 999668205 /nfs/dbraw/zinc/66/82/05/999668205.db2.gz VHVDFBGPIGVQNI-CMPLNLGQSA-N 0 2 411.275 3.907 20 0 HHADLN Cc1c(Br)cccc1S(=O)(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000479981520 999672978 /nfs/dbraw/zinc/67/29/78/999672978.db2.gz NQSQZYNYVYIHRR-UHFFFAOYSA-N 0 2 416.244 3.515 20 0 HHADLN O=C(Nc1cccc(-n2ccnn2)c1)c1[nH]nc(-c2ccccc2)c1Br ZINC000489218947 999724535 /nfs/dbraw/zinc/72/45/35/999724535.db2.gz PQAMQBYHHACQHA-UHFFFAOYSA-N 0 2 409.247 3.672 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(F)c(NC(C)=O)c2)cnn1-c1cccc(C)c1 ZINC000480201609 999743611 /nfs/dbraw/zinc/74/36/11/999743611.db2.gz PTKYFYKJWAUPFN-UHFFFAOYSA-N 0 2 416.478 3.641 20 0 HHADLN Cc1ccc(OCc2nc(NS(=O)(=O)c3cc(C)c(F)cc3Cl)no2)cc1 ZINC000480203903 999744259 /nfs/dbraw/zinc/74/42/59/999744259.db2.gz DXGSRXKVVQHWGR-UHFFFAOYSA-N 0 2 411.842 3.859 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2noc(COc3ccc(F)cc3)n2)ccc1OC(C)C ZINC000480207625 999745366 /nfs/dbraw/zinc/74/53/66/999745366.db2.gz UDHDHBUUAPSQBG-UHFFFAOYSA-N 0 2 421.450 3.684 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(C(=O)OC)c(C)c2)cnn1-c1cccc(C)c1 ZINC000480222329 999749158 /nfs/dbraw/zinc/74/91/58/999749158.db2.gz IZIUOUYUOKAJAA-UHFFFAOYSA-N 0 2 413.499 3.639 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(F)c(NC(C)=O)c2)cnn1-c1ccccc1C ZINC000480230608 999751591 /nfs/dbraw/zinc/75/15/91/999751591.db2.gz WMVRYMUUOMTCOB-UHFFFAOYSA-N 0 2 416.478 3.641 20 0 HHADLN CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2F)cc1 ZINC000480240178 999753888 /nfs/dbraw/zinc/75/38/88/999753888.db2.gz JWLKOCPFMVHRAR-UHFFFAOYSA-N 0 2 408.495 3.897 20 0 HHADLN CCc1c(NS(=O)(=O)c2cccc(C(=O)OC)c2)cnn1-c1ccc(Cl)cc1 ZINC000480243386 999754860 /nfs/dbraw/zinc/75/48/60/999754860.db2.gz DIXKLJQQWYNQEF-UHFFFAOYSA-N 0 2 419.890 3.676 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc(F)c(Br)cc1Cl ZINC000480584699 999833039 /nfs/dbraw/zinc/83/30/39/999833039.db2.gz RNATWPBSJPTZSJ-UHFFFAOYSA-N 0 2 413.659 3.829 20 0 HHADLN Cc1ccc([C@H]2C[C@H](C)[N@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000490046394 999884435 /nfs/dbraw/zinc/88/44/35/999884435.db2.gz VPAGYRFYXXQAJX-REWPJTCUSA-N 0 2 407.558 3.644 20 0 HHADLN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1cccc(Cl)c1 ZINC000490091114 999891822 /nfs/dbraw/zinc/89/18/22/999891822.db2.gz SQDNLYMVCHZCGS-LLVKDONJSA-N 0 2 422.919 3.735 20 0 HHADLN C[C@@H](CC1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000490099672 999893060 /nfs/dbraw/zinc/89/30/60/999893060.db2.gz GETMDSIYMINNPF-ZDUSSCGKSA-N 0 2 408.549 3.884 20 0 HHADLN Cn1cc(-c2nc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4)n[nH]3)cs2)cn1 ZINC000490603759 999982845 /nfs/dbraw/zinc/98/28/45/999982845.db2.gz BQOBVHNPUQXADR-UHFFFAOYSA-N 0 2 419.392 3.600 20 0 HHADLN CCc1c(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cnn1CCC(C)C ZINC000491594780 1000087347 /nfs/dbraw/zinc/08/73/47/1000087347.db2.gz TXZMUJVMSGJYFO-UHFFFAOYSA-N 0 2 401.536 3.537 20 0 HHADLN CN(C)c1cccc(S(=O)(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)c1 ZINC000493048017 1000155593 /nfs/dbraw/zinc/15/55/93/1000155593.db2.gz GWDWSIYKPMBLNR-UHFFFAOYSA-N 0 2 424.448 3.817 20 0 HHADLN O=c1ccc2cc(S(=O)(=O)Nc3cc(-c4ccc5ccccc5c4)n[nH]3)ccc2[nH]1 ZINC000493278968 1000166966 /nfs/dbraw/zinc/16/69/66/1000166966.db2.gz GPYRRJKLAMADRT-UHFFFAOYSA-N 0 2 416.462 3.872 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1ccnc(SCC(F)(F)F)c1 ZINC000493622974 1000181922 /nfs/dbraw/zinc/18/19/22/1000181922.db2.gz MGAPGDAFSXCGST-UHFFFAOYSA-N 0 2 402.448 3.990 20 0 HHADLN Cn1cnc2cc(NS(=O)(=O)c3c(Cl)cc(F)cc3Br)ccc21 ZINC000504518877 1000247337 /nfs/dbraw/zinc/24/73/37/1000247337.db2.gz PYHXPGYRIGJICO-UHFFFAOYSA-N 0 2 418.675 3.929 20 0 HHADLN O=S(=O)(Nc1ccc(Oc2ccccn2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000505310963 1000692539 /nfs/dbraw/zinc/69/25/39/1000692539.db2.gz ITPKEPJTJGDVLX-UHFFFAOYSA-N 0 2 406.467 3.920 20 0 HHADLN Cc1cc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)nn1-c1ccc(F)cc1F ZINC000505592206 1000924634 /nfs/dbraw/zinc/92/46/34/1000924634.db2.gz FRSUHRAQFJOBAU-UHFFFAOYSA-N 0 2 416.338 3.775 20 0 HHADLN Cn1cc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc(C(C)(C)C)cc2)cn1 ZINC000495549873 1001044406 /nfs/dbraw/zinc/04/44/06/1001044406.db2.gz DYTWKMJBJIVTRR-UHFFFAOYSA-N 0 2 418.544 3.832 20 0 HHADLN Cc1cc(C[C@H](C)NC(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)n[nH]1 ZINC000506429425 1001408268 /nfs/dbraw/zinc/40/82/68/1001408268.db2.gz NSBFXACGMXKMPG-KRWDZBQOSA-N 0 2 415.541 3.746 20 0 HHADLN COCCNC(=O)c1ccc(NS(=O)(=O)c2csc3ccccc32)cc1Cl ZINC000506629593 1001476221 /nfs/dbraw/zinc/47/62/21/1001476221.db2.gz BRUVYYDIJOSMAY-UHFFFAOYSA-N 0 2 424.931 3.732 20 0 HHADLN COC(=O)[C@@H](CS(=O)(=O)Nc1cccc(Cl)c1OC(C)C)c1ccccc1 ZINC000506634926 1001478120 /nfs/dbraw/zinc/47/81/20/1001478120.db2.gz VFABDNJZEFBWSE-HNNXBMFYSA-N 0 2 411.907 3.826 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(Oc3ccccc3)nc2)c1 ZINC000506712592 1001502182 /nfs/dbraw/zinc/50/21/82/1001502182.db2.gz ZWAFWRWLHBZQHY-UHFFFAOYSA-N 0 2 400.456 3.830 20 0 HHADLN C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccc(F)cc1 ZINC000497788085 1001514061 /nfs/dbraw/zinc/51/40/61/1001514061.db2.gz KSRUPEGPIZNYLB-LBPRGKRZSA-N 0 2 420.491 3.610 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC3(CC2)OCCc2ccsc23)=N1 ZINC000497883120 1001548888 /nfs/dbraw/zinc/54/88/88/1001548888.db2.gz MIUMRSAPCGGRJY-UHFFFAOYSA-N 0 2 423.538 3.906 20 0 HHADLN O=S(=O)(Nc1cccnc1OCC(F)F)c1ccc(F)c(C(F)(F)F)c1 ZINC000498485558 1001911234 /nfs/dbraw/zinc/91/12/34/1001911234.db2.gz SOIMUUHXQFMYPX-UHFFFAOYSA-N 0 2 400.300 3.684 20 0 HHADLN CC[C@H]1C[C@@]1(NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1cccc(C)c1 ZINC000507360509 1002023378 /nfs/dbraw/zinc/02/33/78/1002023378.db2.gz NLDZTIKDGIOUOW-SBUREZEXSA-N 0 2 405.502 3.817 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1OC1CCOCC1)c1ccc(F)cc1Cl ZINC000507552186 1002158113 /nfs/dbraw/zinc/15/81/13/1002158113.db2.gz POXNZJMZPCOSMX-UHFFFAOYSA-N 0 2 403.834 3.977 20 0 HHADLN CC(=O)c1cc(NS(=O)(=O)c2cc(F)c(Br)cc2F)ccc1F ZINC000507588538 1002192917 /nfs/dbraw/zinc/19/29/17/1002192917.db2.gz ZSTCZWLMROAQEF-UHFFFAOYSA-N 0 2 408.195 3.870 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc2nc(C(F)F)sc2c1 ZINC000507615304 1002221215 /nfs/dbraw/zinc/22/12/15/1002221215.db2.gz YMNGYKNZCZJCBH-UHFFFAOYSA-N 0 2 416.402 3.960 20 0 HHADLN O=C(N[C@@H](c1nccs1)C(F)(F)F)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000507623030 1002227936 /nfs/dbraw/zinc/22/79/36/1002227936.db2.gz GGXDLEAVRSDSQU-LBPRGKRZSA-N 0 2 402.785 3.721 20 0 HHADLN O=S(=O)(Nc1ccc2nc(C(F)F)sc2c1)c1cnn(CC(F)(F)F)c1 ZINC000507630979 1002233545 /nfs/dbraw/zinc/23/35/45/1002233545.db2.gz VGOGQVTZBGPRRY-UHFFFAOYSA-N 0 2 412.365 3.794 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2cc(F)c(Br)c(F)c2)c1 ZINC000507880500 1002412523 /nfs/dbraw/zinc/41/25/23/1002412523.db2.gz XMCUDFYXIUZCNT-UHFFFAOYSA-N 0 2 422.247 3.683 20 0 HHADLN CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc3ccsc32)c1OC ZINC000507888421 1002421195 /nfs/dbraw/zinc/42/11/95/1002421195.db2.gz BRNKLBAAMROJIY-UHFFFAOYSA-N 0 2 410.904 3.724 20 0 HHADLN CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc(C(C)(F)F)c2)c1OC ZINC000507920220 1002454417 /nfs/dbraw/zinc/45/44/17/1002454417.db2.gz TTYNKQJALBDNMN-UHFFFAOYSA-N 0 2 418.849 3.621 20 0 HHADLN CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1csc2ccccc21 ZINC000507947279 1002480498 /nfs/dbraw/zinc/48/04/98/1002480498.db2.gz CCAKDXAIGVXNPO-UHFFFAOYSA-N 0 2 404.513 3.803 20 0 HHADLN CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc3nn[nH]c3c2)[C@H]1c1ccccc1OC ZINC000508003587 1002531933 /nfs/dbraw/zinc/53/19/33/1002531933.db2.gz YYDTUAHZPGAIQM-VGOFRKELSA-N 0 2 421.501 3.685 20 0 HHADLN CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc3nn[nH]c3c2)[C@@H]1c1ccc(OC)cc1 ZINC000508020563 1002545018 /nfs/dbraw/zinc/54/50/18/1002545018.db2.gz AALSXZXDSPOUEO-GCJKJVERSA-N 0 2 421.501 3.685 20 0 HHADLN O=S(=O)(Nc1ncc(-c2cccnc2)s1)c1ccc(Br)s1 ZINC000508073413 1002594956 /nfs/dbraw/zinc/59/49/56/1002594956.db2.gz KISQJDVGUQDXFF-UHFFFAOYSA-N 0 2 402.320 3.830 20 0 HHADLN COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cn3cc[nH+]c3)cn2)cc1C(C)C ZINC000508083917 1002606111 /nfs/dbraw/zinc/60/61/11/1002606111.db2.gz LBNAETLIRLRXFT-UHFFFAOYSA-N 0 2 400.504 3.568 20 0 HHADLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3ncc(-c4cccnc4)s3)cc(Cl)c2O1 ZINC000508088663 1002611414 /nfs/dbraw/zinc/61/14/14/1002611414.db2.gz KNSWFLUFTFGMMZ-SNVBAGLBSA-N 0 2 407.904 3.983 20 0 HHADLN COCCc1ccnc(NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)c1 ZINC000508109257 1002635817 /nfs/dbraw/zinc/63/58/17/1002635817.db2.gz IVCGGPLIFXYRDS-UHFFFAOYSA-N 0 2 405.545 3.979 20 0 HHADLN O=S(=O)(Nc1cc(-c2ccc(Br)cc2)ncn1)c1ccc(F)cc1 ZINC000508110827 1002637381 /nfs/dbraw/zinc/63/73/81/1002637381.db2.gz RHCDVTMEYWRPAK-UHFFFAOYSA-N 0 2 408.252 3.846 20 0 HHADLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3ncc(-c4ccccn4)s3)cc(Cl)c2O1 ZINC000508121537 1002650020 /nfs/dbraw/zinc/65/00/20/1002650020.db2.gz XYCVSLXDRLHQBG-SNVBAGLBSA-N 0 2 407.904 3.983 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(Br)c2)o1)c1cccc(F)c1F ZINC000508125160 1002655337 /nfs/dbraw/zinc/65/53/37/1002655337.db2.gz MPZGOJQBYNPERV-UHFFFAOYSA-N 0 2 416.203 3.578 20 0 HHADLN CC(C)Cn1ncc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1C(C)C ZINC000499265129 1002668335 /nfs/dbraw/zinc/66/83/35/1002668335.db2.gz OKWCFAZLKBZTCT-UHFFFAOYSA-N 0 2 404.536 3.590 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc(Br)c(F)cc2F)cc2n[nH]cc21 ZINC000499267988 1002672791 /nfs/dbraw/zinc/67/27/91/1002672791.db2.gz RFSKJBBTFMETFX-UHFFFAOYSA-N 0 2 402.220 3.713 20 0 HHADLN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2cccc(Cl)c2O)c1 ZINC000499269578 1002674781 /nfs/dbraw/zinc/67/47/81/1002674781.db2.gz VNJAKZXLXWGHBG-UHFFFAOYSA-N 0 2 405.701 3.675 20 0 HHADLN O=S(=O)(Nc1nnc([C@@H]2COc3ccccc3O2)o1)c1csc2ccccc21 ZINC000508180669 1002715552 /nfs/dbraw/zinc/71/55/52/1002715552.db2.gz NDRLVFAYSLEPKD-AWEZNQCLSA-N 0 2 415.452 3.598 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(F)cc3)o2)c(Cl)c1Cl ZINC000508190696 1002725711 /nfs/dbraw/zinc/72/57/11/1002725711.db2.gz MHTUBQSGFHSYFH-UHFFFAOYSA-N 0 2 418.233 3.992 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)Nc2nnc(-c3ccc(F)cc3)o2)s1 ZINC000508217101 1002748007 /nfs/dbraw/zinc/74/80/07/1002748007.db2.gz UYYBMDMHXHPAKJ-UHFFFAOYSA-N 0 2 418.269 3.809 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3c(OC)ccc(SC)c3OC)s[nH]2)c1 ZINC000499411851 1002797084 /nfs/dbraw/zinc/79/70/84/1002797084.db2.gz AFXVDTJXKCDVTO-UHFFFAOYSA-N 0 2 417.512 3.627 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCC(Oc4ncccc4F)CC3)=N2)c1 ZINC000508433921 1002921994 /nfs/dbraw/zinc/92/19/94/1002921994.db2.gz BISZQQPDLXFPFD-UHFFFAOYSA-N 0 2 424.476 3.919 20 0 HHADLN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)C2=NN(c3ccc(OC)cc3)CC2=O)c1 ZINC000499631824 1002998892 /nfs/dbraw/zinc/99/88/92/1002998892.db2.gz OINJGTVYWYRSRS-OAHLLOKOSA-N 0 2 422.485 3.501 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC[C@H]3c3cccc(N(C)C)c3)=N2)cc1 ZINC000499843652 1003180214 /nfs/dbraw/zinc/18/02/14/1003180214.db2.gz COICGHLETBSSAI-FQEVSTJZSA-N 0 2 406.486 3.630 20 0 HHADLN Cc1ccc(C)c([C@@H]2CN(C(=O)C3=NN(c4ccc(F)cc4)CC3=O)[C@H](C)CO2)c1 ZINC000499847648 1003184201 /nfs/dbraw/zinc/18/42/01/1003184201.db2.gz MZSMLFGAPDZGAC-IERDGZPVSA-N 0 2 409.461 3.936 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CC[C@H](CSc4ccccc4)C3)=N2)cc1 ZINC000499861211 1003198279 /nfs/dbraw/zinc/19/82/79/1003198279.db2.gz KZPULLSVOONDAN-INIZCTEOSA-N 0 2 409.511 3.841 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3C[C@H](c4cc(C)ccc4C)OC[C@H]3C)=N2)cc1 ZINC000499863772 1003200354 /nfs/dbraw/zinc/20/03/54/1003200354.db2.gz RASVFXDAOHIZFO-VGOFRKELSA-N 0 2 421.497 3.806 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](c3ccccc3)c3cccnc3)=N2)cc1 ZINC000499942905 1003265585 /nfs/dbraw/zinc/26/55/85/1003265585.db2.gz AIUIFQFVUZJVLS-NRFANRHFSA-N 0 2 400.438 3.501 20 0 HHADLN O=C(NCc1ccc(Oc2ccccc2)nc1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499967177 1003286237 /nfs/dbraw/zinc/28/62/37/1003286237.db2.gz DYBHXIQKGCVLNI-UHFFFAOYSA-N 0 2 404.401 3.834 20 0 HHADLN CCO[C@@H](C)c1nc(CN(C)C(=O)C2=NN(c3ccc(F)cc3)CC2=O)cs1 ZINC000500119926 1003481679 /nfs/dbraw/zinc/48/16/79/1003481679.db2.gz HJEYTBOXLMQYRR-LBPRGKRZSA-N 0 2 404.467 3.543 20 0 HHADLN CC(=O)NCc1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)cc1 ZINC000509074060 1003534399 /nfs/dbraw/zinc/53/43/99/1003534399.db2.gz GPSFFRXZUQRWMM-UHFFFAOYSA-N 0 2 417.712 3.539 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc(C)cc1OC[C@H]1CCCO1 ZINC000509075194 1003535037 /nfs/dbraw/zinc/53/50/37/1003535037.db2.gz OYTKSPKRCHXLHL-QGZVFWFLSA-N 0 2 405.516 3.979 20 0 HHADLN O=C(Nc1nc(C2CCOCC2)cs1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000500262553 1003589517 /nfs/dbraw/zinc/58/95/17/1003589517.db2.gz ZIOIMOPHYNGVTQ-UHFFFAOYSA-N 0 2 416.286 3.627 20 0 HHADLN Cc1nc(-c2cccc(NS(=O)(=O)c3cc(Br)ccc3F)c2)no1 ZINC000500297603 1003606331 /nfs/dbraw/zinc/60/63/31/1003606331.db2.gz NMXMZEHAGIIEGS-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(Cc3ccco3)Cc3ccc(O)cc3)=N2)cc1 ZINC000500302698 1003609583 /nfs/dbraw/zinc/60/95/83/1003609583.db2.gz IYWXUUQMNIYEFA-UHFFFAOYSA-N 0 2 419.437 3.728 20 0 HHADLN O=S(=O)(Nc1ccc(Br)cc1C(F)(F)F)c1cccc2c1OCO2 ZINC000509203849 1003622190 /nfs/dbraw/zinc/62/21/90/1003622190.db2.gz AZWGKOFSUUQZHG-UHFFFAOYSA-N 0 2 424.194 3.997 20 0 HHADLN O=S(=O)(Nc1ccc(Cn2cccn2)cc1)c1cc(Br)ccc1F ZINC000500325234 1003625426 /nfs/dbraw/zinc/62/54/26/1003625426.db2.gz OVBKFSGBCKBNEB-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN O=S(=O)(Nc1nnc(C(F)F)s1)c1c(Cl)cccc1Br ZINC000509216236 1003630110 /nfs/dbraw/zinc/63/01/10/1003630110.db2.gz FKEMMKPYYOUCIS-UHFFFAOYSA-N 0 2 404.645 3.692 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3cc(C)cc(C)c3OC)s2)cc1 ZINC000509217071 1003631135 /nfs/dbraw/zinc/63/11/35/1003631135.db2.gz JFPOGHLIPNBDOU-UHFFFAOYSA-N 0 2 405.501 3.640 20 0 HHADLN CCCCCOc1ccc(S(=O)(=O)Nc2ccn(Cc3ccncc3)n2)cc1 ZINC000500370930 1003667917 /nfs/dbraw/zinc/66/79/17/1003667917.db2.gz BMWKLSPFNVIAQY-UHFFFAOYSA-N 0 2 400.504 3.696 20 0 HHADLN O=S(=O)(Nc1nnc(C(F)(F)F)s1)c1ccc(Cl)cc1Br ZINC000500476215 1003737817 /nfs/dbraw/zinc/73/78/17/1003737817.db2.gz LOZMUBWLVLRCDI-UHFFFAOYSA-N 0 2 422.635 3.774 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2cnc3ccccc3c2)c1OC(C)C ZINC000509383530 1003812913 /nfs/dbraw/zinc/81/29/13/1003812913.db2.gz DGJVWWCQMAKCTL-UHFFFAOYSA-N 0 2 400.456 3.609 20 0 HHADLN CCc1oncc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000509390363 1003819501 /nfs/dbraw/zinc/81/95/01/1003819501.db2.gz HTFDJSMJTDTRQM-CYBMUJFWSA-N 0 2 400.884 3.639 20 0 HHADLN O=C(c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)N1CC[C@@]2(C1)CCCOC2 ZINC000511858747 1003839208 /nfs/dbraw/zinc/83/92/08/1003839208.db2.gz LEVGPHYQPIOFSI-XMMPIXPASA-N 0 2 404.466 3.963 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(C[C@@H]3CCCO3)C3CCC(C)CC3)=N2)cc1 ZINC000500668729 1003879716 /nfs/dbraw/zinc/87/97/16/1003879716.db2.gz OHZBPHMBENSTTM-UHYCVJNDSA-N 0 2 413.518 3.786 20 0 HHADLN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)C1 ZINC000511958447 1003920857 /nfs/dbraw/zinc/92/08/57/1003920857.db2.gz AMYLTMYNGLUKJN-TZMCWYRMSA-N 0 2 406.939 3.504 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OCC(F)(F)F)c(Cl)c1 ZINC000509556162 1003943204 /nfs/dbraw/zinc/94/32/04/1003943204.db2.gz MWKUXYKOUDZWFL-UHFFFAOYSA-N 0 2 423.796 3.869 20 0 HHADLN O=c1nc2[nH]cc(-c3nc([C@@H](F)c4ccc(C(F)(F)F)cc4)no3)cc-2c(=O)[nH]1 ZINC000512043555 1003977000 /nfs/dbraw/zinc/97/70/00/1003977000.db2.gz ZSVBIJCWHGTYAI-NSHDSACASA-N 0 2 407.283 3.564 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccccc2N(C)C(C)C)cn1 ZINC000500821590 1003981303 /nfs/dbraw/zinc/98/13/03/1003981303.db2.gz GWUDPFWIUUBVQQ-UHFFFAOYSA-N 0 2 400.504 3.526 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3cnc(C)o3)cc2)c(Cl)c1 ZINC000509632793 1003994213 /nfs/dbraw/zinc/99/42/13/1003994213.db2.gz BVODQIGMNJNHNI-UHFFFAOYSA-N 0 2 406.847 3.891 20 0 HHADLN CCC(CC)c1nnc(NS(=O)(=O)c2cccc3c2ccnc3C(=O)OC)s1 ZINC000500844090 1003997198 /nfs/dbraw/zinc/99/71/98/1003997198.db2.gz QXPCVODTFXPSLU-UHFFFAOYSA-N 0 2 420.516 3.577 20 0 HHADLN CC(C)c1csc(NS(=O)(=O)c2cc(N(C)C)ccc2Br)n1 ZINC000500867255 1004014123 /nfs/dbraw/zinc/01/41/23/1004014123.db2.gz VIYKMLHHKUICHY-UHFFFAOYSA-N 0 2 404.355 3.896 20 0 HHADLN O=S(=O)(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cccc(F)c1F ZINC000509666023 1004014858 /nfs/dbraw/zinc/01/48/58/1004014858.db2.gz NRWCRCZNNROLOP-UHFFFAOYSA-N 0 2 422.432 3.890 20 0 HHADLN Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C1)c2=O ZINC000512170540 1004073980 /nfs/dbraw/zinc/07/39/80/1004073980.db2.gz KXOLIZPZMLDVSO-LBPRGKRZSA-N 0 2 421.284 3.664 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)ns2)c(F)cc1F ZINC000512343833 1004231713 /nfs/dbraw/zinc/23/17/13/1004231713.db2.gz RTLVDYPOWQLDLZ-UHFFFAOYSA-N 0 2 401.847 3.668 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccccc2Cl)ns1)c1ccc(Cl)cc1F ZINC000512345621 1004233063 /nfs/dbraw/zinc/23/30/63/1004233063.db2.gz BYTXUYYJTQQKLN-UHFFFAOYSA-N 0 2 404.275 3.874 20 0 HHADLN O=S(=O)(CCc1cccc(Cl)c1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000510049479 1004290289 /nfs/dbraw/zinc/29/02/89/1004290289.db2.gz LAMXEJWDUMMJDY-SFHVURJKSA-N 0 2 416.934 3.835 20 0 HHADLN Cc1nc(CSc2ccc(C(=O)N3CCC[C@@H](c4n[nH]c(=O)[nH]4)C3)cc2)cs1 ZINC000510271114 1004439589 /nfs/dbraw/zinc/43/95/89/1004439589.db2.gz OVWOQKXJEQRLTE-CQSZACIVSA-N 0 2 415.544 3.587 20 0 HHADLN CCOc1ccc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1OC ZINC000512657300 1004467781 /nfs/dbraw/zinc/46/77/81/1004467781.db2.gz ASIUSPNNNRPEIN-UHFFFAOYSA-N 0 2 419.528 3.963 20 0 HHADLN O=S(=O)(Nc1nccs1)c1cccc(NCc2ccc(-n3cccn3)cc2)c1 ZINC000512657407 1004467988 /nfs/dbraw/zinc/46/79/88/1004467988.db2.gz CFMKPZAOWCWBGO-UHFFFAOYSA-N 0 2 411.512 3.742 20 0 HHADLN O=S(=O)(Nc1nccs1)c1cccc(NCc2nccn2-c2ccccc2)c1 ZINC000512664254 1004475751 /nfs/dbraw/zinc/47/57/51/1004475751.db2.gz YTJYXDCBBBAKJL-UHFFFAOYSA-N 0 2 411.512 3.742 20 0 HHADLN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc(F)c1F ZINC000501697795 1004616002 /nfs/dbraw/zinc/61/60/02/1004616002.db2.gz LEFSRUXZHIRBGH-LLVKDONJSA-N 0 2 423.466 3.713 20 0 HHADLN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000501981391 1004844484 /nfs/dbraw/zinc/84/44/84/1004844484.db2.gz DAGUWONPQLSTGK-KRWDZBQOSA-N 0 2 406.269 3.866 20 0 HHADLN CC(C)[C@H](C(=O)Nc1cc(Cl)c(O)c(Cl)c1)N1C(=O)c2ccccc2C1=O ZINC000501987678 1004847797 /nfs/dbraw/zinc/84/77/97/1004847797.db2.gz XHTMYHWTBKCOMO-OAHLLOKOSA-N 0 2 407.253 3.958 20 0 HHADLN CS(=O)(=O)c1ccc(OCCCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC000502001720 1004855402 /nfs/dbraw/zinc/85/54/02/1004855402.db2.gz UDDHXGLRSGTEIF-UHFFFAOYSA-N 0 2 418.298 3.900 20 0 HHADLN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000502090512 1004898008 /nfs/dbraw/zinc/89/80/08/1004898008.db2.gz GLPHSMDLEYXCBA-VIFPVBQESA-N 0 2 406.262 3.887 20 0 HHADLN CCN(CC)C(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc(C)c3F)ccc21 ZINC000513452992 1004973607 /nfs/dbraw/zinc/97/36/07/1004973607.db2.gz QEOJXHVPSZHYEM-UHFFFAOYSA-N 0 2 417.506 3.758 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000513473051 1004981687 /nfs/dbraw/zinc/98/16/87/1004981687.db2.gz QRJFUNGPNVTBPS-QZTJIDSGSA-N 0 2 410.499 3.953 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1cccc(C(C)=O)c1 ZINC000502394066 1005054537 /nfs/dbraw/zinc/05/45/37/1005054537.db2.gz RSIMZQHMAQGALU-UHFFFAOYSA-N 0 2 402.241 3.600 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)c1 ZINC000502410112 1005064004 /nfs/dbraw/zinc/06/40/04/1005064004.db2.gz LOZIBPJBZBDUKZ-UHFFFAOYSA-N 0 2 416.496 3.566 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CC(C)(C)O[C@@]4(CCCOC4)C3)=N2)c1 ZINC000511196361 1005069738 /nfs/dbraw/zinc/06/97/38/1005069738.db2.gz ADUNHOHDWVXPBV-QHCPKHFHSA-N 0 2 413.518 3.502 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccnc1Nc1ccccc1 ZINC000502449404 1005079748 /nfs/dbraw/zinc/07/97/48/1005079748.db2.gz LHWUXGUFSLQJGU-UHFFFAOYSA-N 0 2 401.444 3.622 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3ccc4cccc(Cl)c4n3)cc21 ZINC000502495503 1005092075 /nfs/dbraw/zinc/09/20/75/1005092075.db2.gz QLHXTAGYXBOQQA-UHFFFAOYSA-N 0 2 415.902 3.988 20 0 HHADLN CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)CCN(C)c1ccccc1 ZINC000502523803 1005101952 /nfs/dbraw/zinc/10/19/52/1005101952.db2.gz PJBFJCKEDNBKDW-CVDCTZTESA-N 0 2 407.558 3.581 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(SCc3ccccc3)cn2)cc1 ZINC000513783951 1005124743 /nfs/dbraw/zinc/12/47/43/1005124743.db2.gz IBMYMBRZVKQKLO-UHFFFAOYSA-N 0 2 414.508 3.961 20 0 HHADLN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1cc(Cc2ccccc2)ccc1O ZINC000513814051 1005140015 /nfs/dbraw/zinc/14/00/15/1005140015.db2.gz QNOFFEHSDDMDBH-UHFFFAOYSA-N 0 2 411.479 3.879 20 0 HHADLN CCOC(=O)c1cc2cc(NS(=O)(=O)c3c(C)nn(CC)c3C)ccc2s1 ZINC000513818767 1005143266 /nfs/dbraw/zinc/14/32/66/1005143266.db2.gz JVLUSDBSQBVTEB-UHFFFAOYSA-N 0 2 407.517 3.712 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC[C@@](CO)(c4ccccc4)C3)=N2)cc1 ZINC000513908293 1005182414 /nfs/dbraw/zinc/18/24/14/1005182414.db2.gz XTGZXTXTIFJIPY-RUZDIDTESA-N 0 2 419.525 3.868 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2c(CC)cccc2CC)c1 ZINC000502814350 1005228438 /nfs/dbraw/zinc/22/84/38/1005228438.db2.gz XNQIRODORVDGPR-UHFFFAOYSA-N 0 2 409.479 3.937 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccc(F)cc1Cl ZINC000502856323 1005245827 /nfs/dbraw/zinc/24/58/27/1005245827.db2.gz AZGWFJGEWVSUMV-ZDUSSCGKSA-N 0 2 403.834 3.977 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 ZINC000511688513 1005277370 /nfs/dbraw/zinc/27/73/70/1005277370.db2.gz RZDYUOOZQXCSEJ-UHFFFAOYSA-N 0 2 424.450 3.566 20 0 HHADLN Cc1ccccc1CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000504437455 1005628742 /nfs/dbraw/zinc/62/87/42/1005628742.db2.gz AERKYVOJCVEWIW-UHFFFAOYSA-N 0 2 401.513 3.824 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@H](C[S@](C)=O)c3ccccc3)=N2)c1 ZINC000531225258 1006057778 /nfs/dbraw/zinc/05/77/78/1006057778.db2.gz RQHBBLAGPOTDHQ-XBBWARJSSA-N 0 2 411.527 3.551 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCC(OCCc2ccccc2)CC1 ZINC000531342030 1006135671 /nfs/dbraw/zinc/13/56/71/1006135671.db2.gz PBKKWYYTDLEQGR-UHFFFAOYSA-N 0 2 408.527 3.883 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2ccnn2[C@H](C)C2CC2)cc1Br ZINC000534205204 1006197839 /nfs/dbraw/zinc/19/78/39/1006197839.db2.gz SGXFWVCQFHRVHU-LLVKDONJSA-N 0 2 414.325 3.816 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)Cc1ccc2c(c1)CCC2 ZINC000514899843 1006199001 /nfs/dbraw/zinc/19/90/01/1006199001.db2.gz LGXZWSVAAHXGHM-QHCPKHFHSA-N 0 2 417.553 3.957 20 0 HHADLN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)C1 ZINC000531468789 1006217074 /nfs/dbraw/zinc/21/70/74/1006217074.db2.gz GQISXIJAEMKTGG-SEXAOGGLSA-N 0 2 403.548 3.511 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@@H](CC(=O)OC(C)(C)C)C2)=N1 ZINC000531617219 1006308579 /nfs/dbraw/zinc/30/85/79/1006308579.db2.gz QNVLMNOYNCIVSS-HNNXBMFYSA-N 0 2 417.481 3.609 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(Cc3ccccc3Cl)o2)c(C)c1 ZINC000515203517 1006337743 /nfs/dbraw/zinc/33/77/43/1006337743.db2.gz FBATWANBXWWJCS-UHFFFAOYSA-N 0 2 407.879 3.740 20 0 HHADLN C[C@H]1CCCN(Cc2csc(NS(=O)(=O)c3cc(F)cc(Cl)c3)n2)C1 ZINC000534401262 1006376430 /nfs/dbraw/zinc/37/64/30/1006376430.db2.gz MXVBOHRVSSVZQM-NSHDSACASA-N 0 2 403.932 3.968 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N(C)CCCc3cc(-c4ccc(F)cc4)n[nH]3)c[nH]c2n1 ZINC000515575906 1006545042 /nfs/dbraw/zinc/54/50/42/1006545042.db2.gz BGKSZQZZVONFLX-UHFFFAOYSA-N 0 2 419.460 3.878 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc2c1CN(c1nccs1)C2 ZINC000534618596 1006598935 /nfs/dbraw/zinc/59/89/35/1006598935.db2.gz RIBANXVLALJOCV-UHFFFAOYSA-N 0 2 417.560 3.858 20 0 HHADLN O=C(CSc1ccccc1C(=O)N=c1nc(-c2ccccc2)[nH]s1)N1CCCC1 ZINC000515706086 1006603000 /nfs/dbraw/zinc/60/30/00/1006603000.db2.gz VDPOWGNXQZUKKL-UHFFFAOYSA-N 0 2 424.551 3.594 20 0 HHADLN Cc1c2nc(NS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)sc2ccc1F ZINC000532114271 1006647613 /nfs/dbraw/zinc/64/76/13/1006647613.db2.gz IBCZDBUGWYIXIW-UHFFFAOYSA-N 0 2 405.476 3.774 20 0 HHADLN O=C(Nc1ccccc1-n1cc[nH+]c1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000515806044 1006687018 /nfs/dbraw/zinc/68/70/18/1006687018.db2.gz MOELCHBQZLNGNU-UHFFFAOYSA-N 0 2 424.507 3.987 20 0 HHADLN COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc4ccc(C)cc4s3)cc2)CC1 ZINC000538451441 1006720228 /nfs/dbraw/zinc/72/02/28/1006720228.db2.gz YMLYABONVXFAHM-UHFFFAOYSA-N 0 2 402.497 3.610 20 0 HHADLN Cc1nn(C)cc1S(=O)(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C ZINC000515905809 1006751425 /nfs/dbraw/zinc/75/14/25/1006751425.db2.gz QAJTZBRGPAABSH-UHFFFAOYSA-N 0 2 418.906 3.743 20 0 HHADLN Cc1cc(NS(=O)(=O)C[C@@H]2CCCCO2)nn1-c1ccc(Cl)c(Cl)c1 ZINC000538497288 1006765483 /nfs/dbraw/zinc/76/54/83/1006765483.db2.gz MKGWJJJSYBHRIO-ZDUSSCGKSA-N 0 2 404.319 3.798 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)Nc2cscc2C)c1 ZINC000538772505 1007055221 /nfs/dbraw/zinc/05/52/21/1007055221.db2.gz AIELMWDXZYBQPA-UHFFFAOYSA-N 0 2 418.496 3.824 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN(CCO)c4ccccc4)nc(=O)c3s2)cc1 ZINC000532644606 1007064713 /nfs/dbraw/zinc/06/47/13/1007064713.db2.gz PSTYCYFNDOBSAZ-UHFFFAOYSA-N 0 2 407.495 3.659 20 0 HHADLN COc1cc(C(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)cc(Cl)c1OCCC(C)C ZINC000538822830 1007097426 /nfs/dbraw/zinc/09/74/26/1007097426.db2.gz MZENPINUDPNMJM-UHFFFAOYSA-N 0 2 422.913 3.617 20 0 HHADLN Cc1cc(C)nc(-n2nccc2NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)n1 ZINC000532767425 1007171129 /nfs/dbraw/zinc/17/11/29/1007171129.db2.gz OWMCXKHQNYYRBZ-UHFFFAOYSA-N 0 2 417.494 3.651 20 0 HHADLN O=S(=O)(Nc1c(-c2cccnc2)nc2ccccn21)c1cc(F)cc(Cl)c1 ZINC000535134948 1007173950 /nfs/dbraw/zinc/17/39/50/1007173950.db2.gz ONQKVTKYAYYAPH-UHFFFAOYSA-N 0 2 402.838 3.990 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CC[C@H](Oc4ccc(Cl)cc4)C3)=N2)cc1 ZINC000516675687 1007222901 /nfs/dbraw/zinc/22/29/01/1007222901.db2.gz PANMOFBJWDUNNS-SFHVURJKSA-N 0 2 413.861 3.533 20 0 HHADLN O=C(COc1ccccc1OCc1ccccc1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535231759 1007285240 /nfs/dbraw/zinc/28/52/40/1007285240.db2.gz UPYHOVSPLWBVQO-UHFFFAOYSA-N 0 2 418.478 3.619 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(CCc3ccccc3)no2)cc1 ZINC000532989798 1007361147 /nfs/dbraw/zinc/36/11/47/1007361147.db2.gz QNQOXCKQBQUVIX-UHFFFAOYSA-N 0 2 412.496 3.779 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2cnn(-c3ccccc3)c2)cc1C ZINC000535386830 1007451980 /nfs/dbraw/zinc/45/19/80/1007451980.db2.gz LPHMJSZOCOOUDK-UHFFFAOYSA-N 0 2 407.499 3.535 20 0 HHADLN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000539202809 1007498537 /nfs/dbraw/zinc/49/85/37/1007498537.db2.gz ISBWBNPGBDXUEX-VQIMIIECSA-N 0 2 419.815 3.770 20 0 HHADLN O=S(=O)(Cc1cccc2cccnc21)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000535456035 1007518169 /nfs/dbraw/zinc/51/81/69/1007518169.db2.gz LBLWHONSULHANX-IBGZPJMESA-N 0 2 419.510 3.687 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cc(C3CCC3)nn2-c2ccccc2)c(C)o1 ZINC000533177591 1007518808 /nfs/dbraw/zinc/51/88/08/1007518808.db2.gz WZFFWRSWSDGMAA-UHFFFAOYSA-N 0 2 415.471 3.629 20 0 HHADLN CCC(CC)n1nccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000533204565 1007534289 /nfs/dbraw/zinc/53/42/89/1007534289.db2.gz ZVABOIIIVIIKSE-UHFFFAOYSA-N 0 2 419.532 3.754 20 0 HHADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1ncc(C(C)(C)C)s1 ZINC000535618972 1007622830 /nfs/dbraw/zinc/62/28/30/1007622830.db2.gz ZGYINPHJLLLIKA-UHFFFAOYSA-N 0 2 409.533 3.599 20 0 HHADLN CCc1csc(-n2cc(C(=O)N=c3nc(-c4ccccc4Cl)[nH]s3)cn2)n1 ZINC000535662008 1007679638 /nfs/dbraw/zinc/67/96/38/1007679638.db2.gz NIVNKEOEOJODDC-UHFFFAOYSA-N 0 2 416.919 3.737 20 0 HHADLN CSc1cccc(NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)c1C ZINC000539375831 1007681068 /nfs/dbraw/zinc/68/10/68/1007681068.db2.gz LMYBBCUAGIUKRI-UHFFFAOYSA-N 0 2 422.557 3.565 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1C1CC1 ZINC000535685627 1007718000 /nfs/dbraw/zinc/71/80/00/1007718000.db2.gz KEYPXVPDXFWSAV-UONOGXRCSA-N 0 2 416.547 3.830 20 0 HHADLN CCC(=O)N1CC[C@@H](C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)C1 ZINC000533443127 1007759137 /nfs/dbraw/zinc/75/91/37/1007759137.db2.gz GVGRYCNZNSGFAX-MRXNPFEDSA-N 0 2 422.510 3.616 20 0 HHADLN CCc1c(C(=O)N=c2nc(-c3ccccc3)[nH]s2)nnn1-c1cccc(Cl)c1 ZINC000517565575 1007772550 /nfs/dbraw/zinc/77/25/50/1007772550.db2.gz GBBINFBDFHZCGL-UHFFFAOYSA-N 0 2 410.890 3.676 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cnccc3Oc3ccccc3)cnc2c1Cl ZINC000539471185 1007783415 /nfs/dbraw/zinc/78/34/15/1007783415.db2.gz FJKYVWGTHTUIIO-UHFFFAOYSA-N 0 2 415.862 3.679 20 0 HHADLN O=S(=O)(Nc1nnc(C(F)(F)F)s1)c1cc(Cl)ccc1Br ZINC000517636850 1007845979 /nfs/dbraw/zinc/84/59/79/1007845979.db2.gz RIZOARQVCIYXDT-UHFFFAOYSA-N 0 2 422.635 3.774 20 0 HHADLN COCc1cccc(S(=O)(=O)Nc2cnn(-c3ccccc3Br)c2)c1 ZINC000533691221 1008015360 /nfs/dbraw/zinc/01/53/60/1008015360.db2.gz XTPZDFYVTVPARW-UHFFFAOYSA-N 0 2 422.304 3.582 20 0 HHADLN Cc1ccc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cc1NC(=O)c1ccccc1 ZINC000533728140 1008054496 /nfs/dbraw/zinc/05/44/96/1008054496.db2.gz YVVBGZWLXQLNCV-UHFFFAOYSA-N 0 2 415.478 3.835 20 0 HHADLN O=C(CCSc1ccccc1Br)N=c1nc(-c2cccnc2)[nH]s1 ZINC000533731538 1008058102 /nfs/dbraw/zinc/05/81/02/1008058102.db2.gz MXQIKBXBRRATPR-UHFFFAOYSA-N 0 2 421.345 3.905 20 0 HHADLN COc1ccccc1N1CC[C@H]([N@H+]2CCC[C@H](c3nnc(C4CCCCC4)[nH]3)C2)C1=O ZINC000539766095 1008081824 /nfs/dbraw/zinc/08/18/24/1008081824.db2.gz IYUNXYKIECZONO-ICSRJNTNSA-N 0 2 423.561 3.846 20 0 HHADLN O=S(=O)(Nc1ccc(OCc2cn3ccccc3n2)cc1)c1cc(F)ccc1F ZINC000517978719 1008083916 /nfs/dbraw/zinc/08/39/16/1008083916.db2.gz AFKIUDSGCXFQRS-UHFFFAOYSA-N 0 2 415.421 3.992 20 0 HHADLN CC(=O)Nc1cc(NS(=O)(=O)c2cc(F)c(Br)cc2F)ccc1F ZINC000533785928 1008108650 /nfs/dbraw/zinc/10/86/50/1008108650.db2.gz RHSVTIRXAVNDFM-UHFFFAOYSA-N 0 2 423.210 3.626 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000533858698 1008162113 /nfs/dbraw/zinc/16/21/13/1008162113.db2.gz VZKJURAAQSHJTQ-IBGZPJMESA-N 0 2 413.424 3.678 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000533858699 1008162148 /nfs/dbraw/zinc/16/21/48/1008162148.db2.gz VZKJURAAQSHJTQ-LJQANCHMSA-N 0 2 413.424 3.678 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)cc1CC ZINC000533902650 1008193992 /nfs/dbraw/zinc/19/39/92/1008193992.db2.gz SDHNYPLOUZTLNX-UHFFFAOYSA-N 0 2 407.499 3.741 20 0 HHADLN O=S(=O)(Nc1cnn(-c2cnc3ccccc3n2)c1)c1ccc2ccccc2c1 ZINC000533903418 1008194509 /nfs/dbraw/zinc/19/45/09/1008194509.db2.gz ZPKIOVBUZODYSP-UHFFFAOYSA-N 0 2 401.451 3.770 20 0 HHADLN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000539957195 1008205503 /nfs/dbraw/zinc/20/55/03/1008205503.db2.gz DPXPEZGRLJVCNZ-SECBINFHSA-N 0 2 406.262 3.887 20 0 HHADLN CCC(=O)c1ccc(OCC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1 ZINC000518368559 1008278691 /nfs/dbraw/zinc/27/86/91/1008278691.db2.gz RTHMTQXFRNCWMW-UHFFFAOYSA-N 0 2 401.875 3.891 20 0 HHADLN O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1n[nH]c2ccc(Br)cc21 ZINC000518388298 1008284920 /nfs/dbraw/zinc/28/49/20/1008284920.db2.gz PEJGZSGXHAZLAO-GOSISDBHSA-N 0 2 413.319 3.892 20 0 HHADLN O=S(=O)(Nc1ccc(OCC(F)(F)F)nc1)c1c(Cl)ccc(F)c1F ZINC000518407724 1008292304 /nfs/dbraw/zinc/29/23/04/1008292304.db2.gz BUHWLPIPSDCVLO-UHFFFAOYSA-N 0 2 402.728 3.755 20 0 HHADLN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2sc(C)nc2-c2ccccc2)c1 ZINC000540206626 1008335627 /nfs/dbraw/zinc/33/56/27/1008335627.db2.gz RXAGTLBARRFGFJ-UHFFFAOYSA-N 0 2 422.553 3.713 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000540216700 1008339738 /nfs/dbraw/zinc/33/97/38/1008339738.db2.gz SAOANQWLSMUVQS-UHFFFAOYSA-N 0 2 415.442 3.992 20 0 HHADLN Cc1c(C(=O)N=c2nc(-c3ccccc3)[nH]s2)nnn1-c1ccc(OC(C)C)cc1 ZINC000518732875 1008407651 /nfs/dbraw/zinc/40/76/51/1008407651.db2.gz VLODKYQUOVWGBP-UHFFFAOYSA-N 0 2 420.498 3.556 20 0 HHADLN O=C(Cn1c2ccccc2nc1-c1cscn1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000518866598 1008452609 /nfs/dbraw/zinc/45/26/09/1008452609.db2.gz JNOWAWXOBXBYAR-UHFFFAOYSA-N 0 2 424.536 3.800 20 0 HHADLN Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NS(=O)(=O)c1cn[nH]c1 ZINC000518906485 1008468657 /nfs/dbraw/zinc/46/86/57/1008468657.db2.gz PUJMLFAUWFDHED-UHFFFAOYSA-N 0 2 424.404 3.790 20 0 HHADLN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c(C)c1 ZINC000519061185 1008514587 /nfs/dbraw/zinc/51/45/87/1008514587.db2.gz KSEJODXRCRQMBY-MRXNPFEDSA-N 0 2 412.515 3.510 20 0 HHADLN CC(C)(CNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C(F)(F)F ZINC000548959360 1008542722 /nfs/dbraw/zinc/54/27/22/1008542722.db2.gz YOSGOWBGVDXXJC-UHFFFAOYSA-N 0 2 422.454 3.654 20 0 HHADLN COc1cc(-n2cnnn2)c(Cl)cc1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000545444702 1008556904 /nfs/dbraw/zinc/55/69/04/1008556904.db2.gz CORVVVPQNDRQJF-UHFFFAOYSA-N 0 2 414.636 3.589 20 0 HHADLN COC(=O)CCc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000519216558 1008621342 /nfs/dbraw/zinc/62/13/42/1008621342.db2.gz PBZYVMBGLNHWJX-UHFFFAOYSA-N 0 2 405.369 3.751 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)cc1Cl ZINC000519217506 1008622533 /nfs/dbraw/zinc/62/25/33/1008622533.db2.gz LUWGQJRNBDBDQZ-UHFFFAOYSA-N 0 2 407.250 3.900 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cccc(COC)c2)cnn1-c1cccc(F)c1 ZINC000543166307 1008742318 /nfs/dbraw/zinc/74/23/18/1008742318.db2.gz NXNUVIHNCKOKJR-UHFFFAOYSA-N 0 2 403.479 3.911 20 0 HHADLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000519463673 1008839572 /nfs/dbraw/zinc/83/95/72/1008839572.db2.gz PPEFTNZDZRPWNV-UHFFFAOYSA-N 0 2 417.235 3.767 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2C2CC2)c2cccnc12 ZINC000519463117 1008840162 /nfs/dbraw/zinc/84/01/62/1008840162.db2.gz DJOKQCJMBOLTEO-UHFFFAOYSA-N 0 2 400.504 3.774 20 0 HHADLN C[NH+](C)C[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(Cl)cc1 ZINC000549457214 1009049361 /nfs/dbraw/zinc/04/93/61/1009049361.db2.gz RFJGXLBFTAMBSL-OAQYLSRUSA-N 0 2 411.937 3.687 20 0 HHADLN CC(C)Oc1ccccc1[C@H](C)NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000546036829 1009060635 /nfs/dbraw/zinc/06/06/35/1009060635.db2.gz FIQPFSICJYURCT-INIZCTEOSA-N 0 2 409.490 3.731 20 0 HHADLN CC(C)Oc1ccccc1[C@@H](C)NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000546036830 1009060750 /nfs/dbraw/zinc/06/07/50/1009060750.db2.gz FIQPFSICJYURCT-MRXNPFEDSA-N 0 2 409.490 3.731 20 0 HHADLN COc1ccc(C2(C(=O)N=c3nc(-c4ccsc4)[nH]s3)CCC2)cc1OC ZINC000543482411 1009071095 /nfs/dbraw/zinc/07/10/95/1009071095.db2.gz ACPVDBBYGIEKIU-UHFFFAOYSA-N 0 2 401.513 3.766 20 0 HHADLN Cc1cc([N-]S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)n(-c2ccccc2C)n1 ZINC000546086571 1009111722 /nfs/dbraw/zinc/11/17/22/1009111722.db2.gz MQZUCLQFRXCTLL-UHFFFAOYSA-N 0 2 407.499 3.535 20 0 HHADLN CCOC(=O)c1cc(CC)sc1[N-]S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000546144640 1009174332 /nfs/dbraw/zinc/17/43/32/1009174332.db2.gz ILJDDVYKPIGZJM-UHFFFAOYSA-N 0 2 419.528 3.533 20 0 HHADLN C[C@H](CNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccccc1 ZINC000543635583 1009240011 /nfs/dbraw/zinc/24/00/11/1009240011.db2.gz INXLVYCECSYJAL-CQSZACIVSA-N 0 2 416.528 3.869 20 0 HHADLN O=S(=O)(Nc1cc(Cl)cc(Cl)c1O)c1cc2c(cc1Cl)OCCO2 ZINC000543650545 1009255014 /nfs/dbraw/zinc/25/50/14/1009255014.db2.gz FDLGTVUGWZUNTR-UHFFFAOYSA-N 0 2 410.662 3.924 20 0 HHADLN C[C@@H](O)C[C@H](CNC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccccc1 ZINC000543656342 1009262720 /nfs/dbraw/zinc/26/27/20/1009262720.db2.gz NFDAXNRSWOEXPN-CZUORRHYSA-N 0 2 416.934 3.957 20 0 HHADLN COCCN(Cc1ccccc1)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000543656244 1009263089 /nfs/dbraw/zinc/26/30/89/1009263089.db2.gz MFFPNDRJSIYKSE-UHFFFAOYSA-N 0 2 402.907 3.961 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NC[C@H]1CCOc2ccccc21 ZINC000543657491 1009265394 /nfs/dbraw/zinc/26/53/94/1009265394.db2.gz SOCYWEBFBYWUQS-GFCCVEGCSA-N 0 2 400.891 3.968 20 0 HHADLN Cc1cc(C)nc(NS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)n1 ZINC000543692535 1009301083 /nfs/dbraw/zinc/30/10/83/1009301083.db2.gz IOYWTKXRTTZELW-UHFFFAOYSA-N 0 2 410.215 3.676 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(-c3cc(F)cc(F)c3)no2)cc1 ZINC000546288710 1009309176 /nfs/dbraw/zinc/30/91/76/1009309176.db2.gz TWCNICANXIABCX-UHFFFAOYSA-N 0 2 420.422 3.939 20 0 HHADLN O=C(NCc1cccc(NC(=O)c2ccccc2)c1)C1=NN(c2ccccc2)CC1=O ZINC000549732354 1009356121 /nfs/dbraw/zinc/35/61/21/1009356121.db2.gz FLVPYTDYNHXVAX-UHFFFAOYSA-N 0 2 412.449 3.760 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(N(C)C)cc1C ZINC000520279578 1009396303 /nfs/dbraw/zinc/39/63/03/1009396303.db2.gz GVZCGADKXSBJNA-UHFFFAOYSA-N 0 2 404.513 3.863 20 0 HHADLN CC(=O)c1cccc(S(=O)(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)n2)c1 ZINC000520286639 1009408106 /nfs/dbraw/zinc/40/81/06/1009408106.db2.gz PUKFLRPZIMDLQV-UHFFFAOYSA-N 0 2 410.451 3.523 20 0 HHADLN CC(C)Cn1c(CCc2ccco2)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000549827623 1009437104 /nfs/dbraw/zinc/43/71/04/1009437104.db2.gz IKVSVRLTJINGNI-UHFFFAOYSA-N 0 2 412.519 3.659 20 0 HHADLN Cc1cc(Br)c(O)c(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)c1 ZINC000543871252 1009439586 /nfs/dbraw/zinc/43/95/86/1009439586.db2.gz DMZGFOCFLYDCCC-UHFFFAOYSA-N 0 2 411.199 3.678 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ccc(-c4nc(C(C)C)no4)cc3)cc12 ZINC000546538621 1009560142 /nfs/dbraw/zinc/56/01/42/1009560142.db2.gz MKXPVWHJIRBECZ-UHFFFAOYSA-N 0 2 413.459 3.759 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1c[nH]c2ncccc12 ZINC000546539941 1009562192 /nfs/dbraw/zinc/56/21/92/1009562192.db2.gz NIWBHERXNKLPFR-UHFFFAOYSA-N 0 2 407.377 3.568 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)ns2)c(C)c1F ZINC000543962280 1009565761 /nfs/dbraw/zinc/56/57/61/1009565761.db2.gz BRTPQDYKOMYFDT-UHFFFAOYSA-N 0 2 413.883 3.537 20 0 HHADLN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NS(=O)(=O)c1ccc(F)cc1F ZINC000520614489 1009690340 /nfs/dbraw/zinc/69/03/40/1009690340.db2.gz PVBYXOUIYFVJKJ-ZDUSSCGKSA-N 0 2 408.470 3.946 20 0 HHADLN O=S(=O)(Nc1cccc(OCc2cccnc2)c1)c1cnn(-c2ccccc2)c1 ZINC000520615763 1009691836 /nfs/dbraw/zinc/69/18/36/1009691836.db2.gz VQNAIJQCVCSLOZ-UHFFFAOYSA-N 0 2 406.467 3.647 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(CCOC)cc2)cnn1-c1cccc(F)c1 ZINC000544098267 1009708460 /nfs/dbraw/zinc/70/84/60/1009708460.db2.gz DSBBIILHFVGCMV-UHFFFAOYSA-N 0 2 417.506 3.954 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000544101443 1009712343 /nfs/dbraw/zinc/71/23/43/1009712343.db2.gz YVVPYHWRNHNNBK-UHFFFAOYSA-N 0 2 416.503 3.802 20 0 HHADLN Cc1cc(C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)c(C)n1Cc1ccccn1 ZINC000550124022 1009714600 /nfs/dbraw/zinc/71/46/00/1009714600.db2.gz YKEOIXTWRXGOEO-UHFFFAOYSA-N 0 2 402.458 3.600 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N(C)CCc2nc(-c3ccccc3)no2)=N1 ZINC000520640581 1009715719 /nfs/dbraw/zinc/71/57/19/1009715719.db2.gz DUUUPXAXCUPGLW-UHFFFAOYSA-N 0 2 417.469 3.505 20 0 HHADLN C[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC1(C)C ZINC000546853352 1009814534 /nfs/dbraw/zinc/81/45/34/1009814534.db2.gz QEEGZERUUCXTAL-CYBMUJFWSA-N 0 2 408.549 3.844 20 0 HHADLN Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2O)nnn1-c1ccc2c(c1)OCCO2 ZINC000546857497 1009819244 /nfs/dbraw/zinc/81/92/44/1009819244.db2.gz FMKLAXYTGFMQOD-UHFFFAOYSA-N 0 2 421.240 3.612 20 0 HHADLN O=C(CNC(=O)c1cc(-c2ccccc2)on1)Nc1cc(Cl)cc(Cl)c1O ZINC000546857795 1009819965 /nfs/dbraw/zinc/81/99/65/1009819965.db2.gz RFBIEWTZNGNOBW-UHFFFAOYSA-N 0 2 406.225 3.723 20 0 HHADLN C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1O)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000546860728 1009822856 /nfs/dbraw/zinc/82/28/56/1009822856.db2.gz OQFMRZXUDQAYNC-JTQLQIEISA-N 0 2 417.314 3.692 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)cc1OCC ZINC000550404343 1009912574 /nfs/dbraw/zinc/91/25/74/1009912574.db2.gz KTSLDFFBSHEOIH-UHFFFAOYSA-N 0 2 401.488 3.779 20 0 HHADLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2ccc3c(c2)C(=O)CCC3)o1 ZINC000520908033 1009963075 /nfs/dbraw/zinc/96/30/75/1009963075.db2.gz KBJBZABARLSYGG-UHFFFAOYSA-N 0 2 401.419 3.504 20 0 HHADLN C[C@@H]1Sc2ccc(C(=O)N=c3nc(-c4cccc(Cl)c4)[nH]s3)cc2NC1=O ZINC000520970268 1010014085 /nfs/dbraw/zinc/01/40/85/1010014085.db2.gz YATSFGDRYDOAPN-VIFPVBQESA-N 0 2 416.915 3.965 20 0 HHADLN CN(C)c1cc(Br)cc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)c1 ZINC000550543055 1010015001 /nfs/dbraw/zinc/01/50/01/1010015001.db2.gz HZKFUEWBZBOIFN-UHFFFAOYSA-N 0 2 409.334 3.769 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000520971035 1010015046 /nfs/dbraw/zinc/01/50/46/1010015046.db2.gz UZVFLPRIMHAIOK-CQSZACIVSA-N 0 2 416.890 3.507 20 0 HHADLN C[C@H](CNC(=O)c1ccccc1)c1noc(-c2cccc(Br)c2O)n1 ZINC000547173612 1010118243 /nfs/dbraw/zinc/11/82/43/1010118243.db2.gz PVIRJYZTAJJXIX-LLVKDONJSA-N 0 2 402.248 3.738 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cccnc2C(F)(F)F)cc1C(=O)OC(C)C ZINC000521105482 1010125331 /nfs/dbraw/zinc/12/53/31/1010125331.db2.gz MRTSWCFJEZTQAE-UHFFFAOYSA-N 0 2 402.394 3.775 20 0 HHADLN C[N@@H+]1CC[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000544552627 1010181873 /nfs/dbraw/zinc/18/18/73/1010181873.db2.gz ZSYJSBXVXBRADL-XJKSGUPXSA-N 0 2 402.775 3.777 20 0 HHADLN C[N@H+]1CC[C@H](NC(=O)c2cc(F)c(F)c([O-])c2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000544552627 1010181875 /nfs/dbraw/zinc/18/18/75/1010181875.db2.gz ZSYJSBXVXBRADL-XJKSGUPXSA-N 0 2 402.775 3.777 20 0 HHADLN O=C(Cc1ccc2c(c1)COC2)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000544625263 1010248993 /nfs/dbraw/zinc/24/89/93/1010248993.db2.gz KIXVSMKYCANHJG-UHFFFAOYSA-N 0 2 417.238 3.585 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000544635390 1010259058 /nfs/dbraw/zinc/25/90/58/1010259058.db2.gz JEZLNKUTVPXXOQ-HOTGVXAUSA-N 0 2 400.891 3.932 20 0 HHADLN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000544635437 1010259127 /nfs/dbraw/zinc/25/91/27/1010259127.db2.gz KWOOUCKIHMLQPB-UONOGXRCSA-N 0 2 421.954 3.534 20 0 HHADLN C[C@@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc([S@](C)=O)cc1 ZINC000544635681 1010259204 /nfs/dbraw/zinc/25/92/04/1010259204.db2.gz AMKOPYMRUABIFL-LUGWNYHVSA-N 0 2 420.947 3.901 20 0 HHADLN C[C@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc2c(c1)OCO2 ZINC000544636205 1010260287 /nfs/dbraw/zinc/26/02/87/1010260287.db2.gz XUZUHFRUGQVHLT-JTQLQIEISA-N 0 2 402.863 3.892 20 0 HHADLN C[C@@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc2c(c1)OCO2 ZINC000544636209 1010260501 /nfs/dbraw/zinc/26/05/01/1010260501.db2.gz XUZUHFRUGQVHLT-SNVBAGLBSA-N 0 2 402.863 3.892 20 0 HHADLN CN(Cc1ccc2c(c1)OCO2)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000544636902 1010261053 /nfs/dbraw/zinc/26/10/53/1010261053.db2.gz ZSHTYRPRSDYBMQ-UHFFFAOYSA-N 0 2 402.863 3.673 20 0 HHADLN COc1ccc([C@H](CCO)NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc1 ZINC000544638977 1010264019 /nfs/dbraw/zinc/26/40/19/1010264019.db2.gz WQRNXDFUHURTEY-INIZCTEOSA-N 0 2 418.906 3.534 20 0 HHADLN CCCc1ccc(Cl)c(S(=O)(=O)Nc2nc(CCC(=O)OC)cs2)c1 ZINC000551020830 1010322054 /nfs/dbraw/zinc/32/20/54/1010322054.db2.gz SDKGEJKCFKHWAL-UHFFFAOYSA-N 0 2 402.925 3.655 20 0 HHADLN O=S(=O)(Nc1cccc2cc[nH]c21)c1cc2c(cc1Br)OCCO2 ZINC000547822922 1010439510 /nfs/dbraw/zinc/43/95/10/1010439510.db2.gz IXAANMQGXOOISE-UHFFFAOYSA-N 0 2 409.261 3.502 20 0 HHADLN COc1ccc2cc(CNC(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)ccc2c1 ZINC000547853145 1010450284 /nfs/dbraw/zinc/45/02/84/1010450284.db2.gz ZHBJAIZPESOMML-UHFFFAOYSA-N 0 2 408.483 3.900 20 0 HHADLN O=S(=O)(Nc1ccc(Cc2nnc3ccccn32)cc1)c1cc(Cl)ccc1F ZINC000551385869 1010554034 /nfs/dbraw/zinc/55/40/34/1010554034.db2.gz RSQOOGUAZAVJNS-UHFFFAOYSA-N 0 2 416.865 3.913 20 0 HHADLN O=S(=O)(Nc1nnc(CCCc2cccs2)o1)c1cc(Cl)ccc1F ZINC000551387494 1010554422 /nfs/dbraw/zinc/55/44/22/1010554422.db2.gz CDOFRMOQUWETSK-UHFFFAOYSA-N 0 2 401.872 3.900 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2sc(C)nc2CC(C)C)c1 ZINC000551415846 1010572724 /nfs/dbraw/zinc/57/27/24/1010572724.db2.gz VCOYJRYFAHJTFV-UHFFFAOYSA-N 0 2 400.497 3.767 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)c1 ZINC000521764301 1010600017 /nfs/dbraw/zinc/60/00/17/1010600017.db2.gz DFHQVQZJOJNQRX-UHFFFAOYSA-N 0 2 413.499 3.704 20 0 HHADLN Cn1c2ccccc2nc1-c1cccc(NS(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC000551467797 1010603624 /nfs/dbraw/zinc/60/36/24/1010603624.db2.gz MJBUTFGQMXTNIK-UHFFFAOYSA-N 0 2 417.441 3.503 20 0 HHADLN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)Nc1cccc(SC)c1 ZINC000551468215 1010604546 /nfs/dbraw/zinc/60/45/46/1010604546.db2.gz YRQKDETVKISPKE-UHFFFAOYSA-N 0 2 414.936 3.573 20 0 HHADLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000551470135 1010606197 /nfs/dbraw/zinc/60/61/97/1010606197.db2.gz KGYVBLSFUFVGHU-UHFFFAOYSA-N 0 2 424.906 3.912 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(-c3ncco3)cc2)c1OC ZINC000551475739 1010610026 /nfs/dbraw/zinc/61/00/26/1010610026.db2.gz VWQAUZAJOLHJBB-UHFFFAOYSA-N 0 2 422.846 3.591 20 0 HHADLN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)Nc1ccc2occ(C)c2c1 ZINC000551475226 1010610084 /nfs/dbraw/zinc/61/00/84/1010610084.db2.gz WTLRXIDOUWWKOY-UHFFFAOYSA-N 0 2 422.890 3.906 20 0 HHADLN Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000521835907 1010647269 /nfs/dbraw/zinc/64/72/69/1010647269.db2.gz ZBPMDFIUERUEBF-UHFFFAOYSA-N 0 2 408.508 3.709 20 0 HHADLN COC(=O)c1ccc(Br)c(C)c1NS(=O)(=O)Cc1ccccc1F ZINC000545184249 1010675109 /nfs/dbraw/zinc/67/51/09/1010675109.db2.gz SUAIJFCBYHZTPS-UHFFFAOYSA-N 0 2 416.268 3.625 20 0 HHADLN C[C@H]1CCCN(Cc2csc(NS(=O)(=O)c3cccnc3C(F)(F)F)n2)C1 ZINC000521938209 1010725368 /nfs/dbraw/zinc/72/53/68/1010725368.db2.gz SSNZUGRULAXBBO-NSHDSACASA-N 0 2 420.482 3.590 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2)cc1Br ZINC000551684163 1010740042 /nfs/dbraw/zinc/74/00/42/1010740042.db2.gz XYIOZGIMANBHQO-UHFFFAOYSA-N 0 2 408.277 3.649 20 0 HHADLN Cc1ccc(I)c(C(=O)N=c2nc(-c3ccccc3)[nH]s2)c1 ZINC000522245718 1010886290 /nfs/dbraw/zinc/88/62/90/1010886290.db2.gz GLTVNKSUNJDMNA-UHFFFAOYSA-N 0 2 421.263 3.792 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3nccc(C)n3)cc2)c(Cl)c1 ZINC000522357706 1010954363 /nfs/dbraw/zinc/95/43/63/1010954363.db2.gz CRWBLBCABDUJEI-UHFFFAOYSA-N 0 2 417.874 3.693 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc4c(cc(C)cc4C)s3)cc21 ZINC000522435851 1011011273 /nfs/dbraw/zinc/01/12/73/1011011273.db2.gz JFSMOXSABQWUID-UHFFFAOYSA-N 0 2 401.513 3.623 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000522514234 1011058196 /nfs/dbraw/zinc/05/81/96/1011058196.db2.gz MBCYTFVCUXDSKZ-UHFFFAOYSA-N 0 2 407.473 3.509 20 0 HHADLN Cc1csc(-c2cccc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)c2)n1 ZINC000522596549 1011100419 /nfs/dbraw/zinc/10/04/19/1011100419.db2.gz JNKORMOTOOTKNR-UHFFFAOYSA-N 0 2 417.487 3.943 20 0 HHADLN CS(=O)(=O)c1ccc(Oc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 ZINC000522598810 1011101752 /nfs/dbraw/zinc/10/17/52/1011101752.db2.gz ZTPQFORZDKWGTJ-UHFFFAOYSA-N 0 2 409.510 3.745 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2nc(CC(C)(C)C)cs2)c(F)c1 ZINC000540653769 1011305849 /nfs/dbraw/zinc/30/58/49/1011305849.db2.gz MEVRVWSBIMXDLO-UHFFFAOYSA-N 0 2 403.476 3.769 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(CC(C)(C)C)cs2)cc1Cl ZINC000540653918 1011305966 /nfs/dbraw/zinc/30/59/66/1011305966.db2.gz YYTAXISDPAPVFF-UHFFFAOYSA-N 0 2 402.925 3.973 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C ZINC000522900878 1011345380 /nfs/dbraw/zinc/34/53/80/1011345380.db2.gz AAQWJUCNHDPYPZ-UHFFFAOYSA-N 0 2 415.563 3.938 20 0 HHADLN CC(C)Cn1ncc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1C(F)F ZINC000536302802 1011492214 /nfs/dbraw/zinc/49/22/14/1011492214.db2.gz RXLARPDIMXJTCL-UHFFFAOYSA-N 0 2 412.462 3.552 20 0 HHADLN Cc1ccc(Oc2ccccc2CNC(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)cc1 ZINC000523068844 1011537952 /nfs/dbraw/zinc/53/79/52/1011537952.db2.gz AHHGRDCIGHZDNX-UHFFFAOYSA-N 0 2 424.526 3.613 20 0 HHADLN O=C(CCc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000540907889 1011578180 /nfs/dbraw/zinc/57/81/80/1011578180.db2.gz ARNBNDFMTQIPSA-UHFFFAOYSA-N 0 2 422.919 3.564 20 0 HHADLN Cc1cccc(Oc2ccc(S(=O)(=O)Nc3cnn(-c4ncccn4)c3)cc2)c1 ZINC000523121666 1011587621 /nfs/dbraw/zinc/58/76/21/1011587621.db2.gz NMNARBGSJJBSRA-UHFFFAOYSA-N 0 2 407.455 3.564 20 0 HHADLN CN1c2ccc(S(=O)(=O)Nc3c[nH]nc3-c3ccccc3)c3cccc(c23)C1=O ZINC000536422500 1011641186 /nfs/dbraw/zinc/64/11/86/1011641186.db2.gz VGIFCCQMTAJLDG-UHFFFAOYSA-N 0 2 404.451 3.621 20 0 HHADLN Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000541289302 1011986366 /nfs/dbraw/zinc/98/63/66/1011986366.db2.gz JWMFAZMHNYAYAH-UHFFFAOYSA-N 0 2 409.508 3.904 20 0 HHADLN Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000541289302 1011986378 /nfs/dbraw/zinc/98/63/78/1011986378.db2.gz JWMFAZMHNYAYAH-UHFFFAOYSA-N 0 2 409.508 3.904 20 0 HHADLN CC(C)S(=O)(=O)c1ccccc1NS(=O)(=O)CCc1cccc(Cl)c1 ZINC000551951210 1012031924 /nfs/dbraw/zinc/03/19/24/1012031924.db2.gz PLYJATOCBCOVKJ-UHFFFAOYSA-N 0 2 401.937 3.507 20 0 HHADLN O=C([C@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000552207705 1012219167 /nfs/dbraw/zinc/21/91/67/1012219167.db2.gz BBHSGVRBIHJIAQ-CABCVRRESA-N 0 2 409.515 3.576 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cnn(-c2ccccc2)c1C(F)(F)F ZINC000552251891 1012262413 /nfs/dbraw/zinc/26/24/13/1012262413.db2.gz RQKBSONGBCKGRO-UHFFFAOYSA-N 0 2 414.347 3.634 20 0 HHADLN O=C(COc1ccc(Br)cc1Cl)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552262823 1012272054 /nfs/dbraw/zinc/27/20/54/1012272054.db2.gz RWTCQQLWRHQVPF-UHFFFAOYSA-N 0 2 423.654 3.611 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C)[C@@H](C)c3sc(C)nc3C)s[nH]2)c1 ZINC000541756159 1012616963 /nfs/dbraw/zinc/61/69/63/1012616963.db2.gz HDBZRAFTPRPEDH-NSHDSACASA-N 0 2 403.533 3.934 20 0 HHADLN COc1cccc(C[C@@H]2CCCN2C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)c1 ZINC000541757310 1012618304 /nfs/dbraw/zinc/61/83/04/1012618304.db2.gz UDKUCJZPFNRMHF-KRWDZBQOSA-N 0 2 424.526 3.883 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)C1CCN(c2nc3ccccc3s2)CC1 ZINC000552626118 1012628750 /nfs/dbraw/zinc/62/87/50/1012628750.db2.gz JIFHHCVPUHROAE-UHFFFAOYSA-N 0 2 420.498 3.642 20 0 HHADLN C[C@@H]1CC[C@H](NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C[C@@H]1C ZINC000541776081 1012644335 /nfs/dbraw/zinc/64/43/35/1012644335.db2.gz DWBGKWWBTCSIAC-IPYPFGDCSA-N 0 2 408.549 3.890 20 0 HHADLN CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000541785851 1012655194 /nfs/dbraw/zinc/65/51/94/1012655194.db2.gz LQJBGGZMKVTNOO-OAHLLOKOSA-N 0 2 416.547 3.516 20 0 HHADLN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C1=NN(c2ccccc2)CC1=O ZINC000552667893 1012666396 /nfs/dbraw/zinc/66/63/96/1012666396.db2.gz NMBLGMYWTXUJFZ-LPHOPBHVSA-N 0 2 401.825 3.630 20 0 HHADLN COC(=O)C1(c2ccc(S(=O)(=O)Nc3cnc(-c4ccccc4)s3)cc2)CC1 ZINC000537349670 1012816627 /nfs/dbraw/zinc/81/66/27/1012816627.db2.gz QDEQICVWGLGLKZ-UHFFFAOYSA-N 0 2 414.508 3.816 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)s[nH]1 ZINC000524096776 1012869627 /nfs/dbraw/zinc/86/96/27/1012869627.db2.gz WDFKLTPKSMANMJ-MRXNPFEDSA-N 0 2 414.575 3.857 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000552999349 1012974255 /nfs/dbraw/zinc/97/42/55/1012974255.db2.gz AENJVJHVLYHTOV-IRXDYDNUSA-N 0 2 417.487 3.825 20 0 HHADLN C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)[C@H]2CCCC[C@H]12 ZINC000542061368 1012978554 /nfs/dbraw/zinc/97/85/54/1012978554.db2.gz WDBJFTRQCNEGRO-XYPHTWIQSA-N 0 2 405.545 3.595 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)c(F)c1 ZINC000729665412 1071776481 /nfs/dbraw/zinc/77/64/81/1071776481.db2.gz KFTTVZQLSYSVBT-UHFFFAOYSA-N 0 2 410.426 3.736 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cc(Br)ccc2C)c(OC)c1 ZINC000488223250 1072144708 /nfs/dbraw/zinc/14/47/08/1072144708.db2.gz SVIUPHTZKXDXFS-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cccc(Oc3ccncc3)c2)c(OC)c1 ZINC000488252142 1072169641 /nfs/dbraw/zinc/16/96/41/1072169641.db2.gz JFKFWNREETZKMD-UHFFFAOYSA-N 0 2 416.455 3.701 20 0 HHADLN CC(C)(NC(=O)C(F)(F)F)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000760374171 1072287736 /nfs/dbraw/zinc/28/77/36/1072287736.db2.gz PWISQLOVYBBGDI-UHFFFAOYSA-N 0 2 410.358 3.700 20 0 HHADLN O=C(Nc1ccc(F)c(F)c1O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC001625987990 1072363462 /nfs/dbraw/zinc/36/34/62/1072363462.db2.gz LHMOLIBJKSHNGR-UHFFFAOYSA-N 0 2 404.394 3.724 20 0 HHADLN O=C(OCc1nccn1C(F)F)c1nn(-c2ccccc2C(F)(F)F)cc1O ZINC000913372263 1072381103 /nfs/dbraw/zinc/38/11/03/1072381103.db2.gz AHEZLABWQBKXLP-UHFFFAOYSA-N 0 2 402.279 3.545 20 0 HHADLN O=C(N[C@H]1COc2cccc(Br)c2C1)c1cc(F)cc(Cl)c1O ZINC001648994275 1072422760 /nfs/dbraw/zinc/42/27/60/1072422760.db2.gz IVRJOBWXYHHWGM-SECBINFHSA-N 0 2 400.631 3.681 20 0 HHADLN O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001126789393 1072462201 /nfs/dbraw/zinc/46/22/01/1072462201.db2.gz SKUFOCSGYPZNGR-UWVGGRQHSA-N 0 2 400.319 3.557 20 0 HHADLN Cc1ccc(-n2nc(C(C)C)cc2NS(=O)(=O)c2cccc3c2OCCO3)cc1 ZINC000571451651 1072622992 /nfs/dbraw/zinc/62/29/92/1072622992.db2.gz JJYZVTFWHTXQRH-UHFFFAOYSA-N 0 2 413.499 3.876 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@](C)(C1CC1)C(F)(F)F ZINC000479140993 1072763027 /nfs/dbraw/zinc/76/30/27/1072763027.db2.gz YBRPTDMHQFRILX-LBPRGKRZSA-N 0 2 420.222 3.606 20 0 HHADLN Cn1c(=O)oc2ccc(NC(=O)c3[nH]nc(-c4ccccc4)c3Br)cc21 ZINC000588123393 1072813496 /nfs/dbraw/zinc/81/34/96/1072813496.db2.gz IDAIHGUKLJFEIP-UHFFFAOYSA-N 0 2 413.231 3.536 20 0 HHADLN Cc1noc2ncc(S(=O)(=O)Nc3ccc(OC(F)F)cc3OC(F)F)cc12 ZINC000588622027 1073061400 /nfs/dbraw/zinc/06/14/00/1073061400.db2.gz DBHILOGEURXGGQ-UHFFFAOYSA-N 0 2 421.328 3.535 20 0 HHADLN Cc1noc2ncc(S(=O)(=O)Nc3ccccc3NC(=O)c3cccs3)cc12 ZINC000588632595 1073087464 /nfs/dbraw/zinc/08/74/64/1073087464.db2.gz ALQOAODRGKZMGG-UHFFFAOYSA-N 0 2 414.468 3.646 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 ZINC000555126761 1073192991 /nfs/dbraw/zinc/19/29/91/1073192991.db2.gz BSKVPWCEWLEIQL-UHFFFAOYSA-N 0 2 415.368 3.840 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000572414355 1073256142 /nfs/dbraw/zinc/25/61/42/1073256142.db2.gz SHDCJHPVHUJROC-HUUCEWRRSA-N 0 2 404.923 3.846 20 0 HHADLN COc1ccccc1-c1n[nH]c(NC(=O)c2csc(Cc3ccc(F)cc3)n2)n1 ZINC000588847469 1073304161 /nfs/dbraw/zinc/30/41/61/1073304161.db2.gz LXEUAKPSJHVQAU-UHFFFAOYSA-N 0 2 409.446 3.919 20 0 HHADLN CC(C)Cc1nnc(NS(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)s1 ZINC000555288716 1073322344 /nfs/dbraw/zinc/32/23/44/1073322344.db2.gz RPHKUTONYJVGSM-UHFFFAOYSA-N 0 2 415.500 3.741 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1cc(C)n(CC)c1C ZINC000555295309 1073326035 /nfs/dbraw/zinc/32/60/35/1073326035.db2.gz KRFUDYBCFIBTBH-HXUWFJFHSA-N 0 2 408.546 3.978 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)s[nH]1 ZINC000589987885 1073465549 /nfs/dbraw/zinc/46/55/49/1073465549.db2.gz JUKVFXGKKRXVRG-UHFFFAOYSA-N 0 2 406.309 3.662 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1ccc(C(=O)Nc2ccccc2)cc1 ZINC000555536126 1073600529 /nfs/dbraw/zinc/60/05/29/1073600529.db2.gz XCLCOIZZVUNBKB-UHFFFAOYSA-N 0 2 413.437 3.990 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)COc1ccc(CC)cc1 ZINC000572931266 1073878455 /nfs/dbraw/zinc/87/84/55/1073878455.db2.gz ZTNNEGIRIHLXIB-QFIPXVFZSA-N 0 2 421.541 3.867 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3ccc(OC(C)C)c(C)c3)o2)cc1 ZINC000556039531 1074060149 /nfs/dbraw/zinc/06/01/49/1074060149.db2.gz OENBDFNIEZHIJC-UHFFFAOYSA-N 0 2 403.460 3.642 20 0 HHADLN CC(C)Oc1ccc(Br)cc1NS(=O)(=O)CCOCC(F)(F)F ZINC000573029662 1074065213 /nfs/dbraw/zinc/06/52/13/1074065213.db2.gz JTPMUIAUKZEAAW-UHFFFAOYSA-N 0 2 420.247 3.557 20 0 HHADLN O=C(NCc1nc(C2CC2)no1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000760812539 1074144442 /nfs/dbraw/zinc/14/44/42/1074144442.db2.gz LHZHJLKKFNWMJA-UHFFFAOYSA-N 0 2 402.410 3.511 20 0 HHADLN O=C(N[C@H]1CCCCC12OCCO2)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000760858603 1074473676 /nfs/dbraw/zinc/47/36/76/1074473676.db2.gz HEYMTWDBINJFOP-NRFANRHFSA-N 0 2 420.465 3.736 20 0 HHADLN CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc3c(s2)CCCCCC3)c1 ZINC000573479244 1074523992 /nfs/dbraw/zinc/52/39/92/1074523992.db2.gz SHLLVNXSTJPCBP-UHFFFAOYSA-N 0 2 407.561 3.695 20 0 HHADLN CCc1cc(=O)[nH]c(-c2cccc(NS(=O)(=O)c3cc(F)c(F)cc3F)c2)n1 ZINC000591797114 1074545683 /nfs/dbraw/zinc/54/56/83/1074545683.db2.gz RLVTVDWDZCARCF-UHFFFAOYSA-N 0 2 409.389 3.630 20 0 HHADLN COCn1nc(C)c(S(=O)(=O)Nc2ncc(-c3ccc(Cl)cc3)s2)c1C ZINC000573795250 1074646102 /nfs/dbraw/zinc/64/61/02/1074646102.db2.gz QQICQBYKIUVQCS-UHFFFAOYSA-N 0 2 412.924 3.682 20 0 HHADLN C[C@H](NC(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O)c1ccc[nH]1 ZINC000760955956 1074708573 /nfs/dbraw/zinc/70/85/73/1074708573.db2.gz BPGZVAWEZJZABU-HNNXBMFYSA-N 0 2 418.522 3.747 20 0 HHADLN Cc1cc(C)c(-c2cc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)[nH]n2)cc1C ZINC000594861773 1075370143 /nfs/dbraw/zinc/37/01/43/1075370143.db2.gz ZSIKITYLMCTAIY-UHFFFAOYSA-N 0 2 424.526 3.930 20 0 HHADLN O=C([O-])[C@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000780571335 939134749 /nfs/dbraw/zinc/13/47/49/939134749.db2.gz NLGYTIDPBXBEKD-IEBWSBKVSA-N 0 2 419.884 3.569 20 0 HHADLN O=C([O-])[C@H](NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000780571335 939134750 /nfs/dbraw/zinc/13/47/50/939134750.db2.gz NLGYTIDPBXBEKD-IEBWSBKVSA-N 0 2 419.884 3.569 20 0 HHADLN Cc1ccc(NC(=O)CN(C)C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)cc1 ZINC000303842132 972379890 /nfs/dbraw/zinc/37/98/90/972379890.db2.gz JCZGZHBDTQLISQ-UHFFFAOYSA-N 0 2 406.486 3.720 20 0 HHADLN O=C(CC1S/C(=N\Cc2ccccc2)NC1=O)Nc1ccccc1C(F)(F)F ZINC000007883820 961362068 /nfs/dbraw/zinc/36/20/68/961362068.db2.gz QLQAAWHYRVJOTH-OAHLLOKOSA-N 0 2 407.417 3.822 20 0 HHADLN Cc1sc2ncn(NC(=O)c3cn4ccc(C)cc4n3)c(=O)c2c1-c1ccccc1 ZINC000008277969 961501984 /nfs/dbraw/zinc/50/19/84/961501984.db2.gz MDEKPAPHHCLBLC-UHFFFAOYSA-N 0 2 415.478 3.773 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cccc(Br)c2)ccc1Br ZINC000008678541 961590594 /nfs/dbraw/zinc/59/05/94/961590594.db2.gz OYINXUZRSBWTHJ-UHFFFAOYSA-N 0 2 406.099 3.716 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N(C)Cc3cc(Cl)ccc3OC)cc2[nH]c1=S ZINC000010280200 961784690 /nfs/dbraw/zinc/78/46/90/961784690.db2.gz PHJOAQZYSMRHDG-UHFFFAOYSA-N 0 2 417.918 3.639 20 0 HHADLN Cc1ccnc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O)c1 ZINC000010430694 961821192 /nfs/dbraw/zinc/82/11/92/961821192.db2.gz DRSITRULPBATQR-UHFFFAOYSA-N 0 2 417.874 3.802 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)Nc3cccc4cccnc43)cc2[nH]c1=S ZINC000010914352 961946745 /nfs/dbraw/zinc/94/67/45/961946745.db2.gz IRUKDXYODGXKKY-UHFFFAOYSA-N 0 2 420.494 3.522 20 0 HHADLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Cc1coc2cc(OC)ccc12 ZINC000012226019 962256306 /nfs/dbraw/zinc/25/63/06/962256306.db2.gz QYWLBQGOBMOVBD-UHFFFAOYSA-N 0 2 411.483 3.721 20 0 HHADLN C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC12CCC2 ZINC000537824770 1013388027 /nfs/dbraw/zinc/38/80/27/1013388027.db2.gz QWXHOCFHMMXOOX-CQSZACIVSA-N 0 2 405.545 3.596 20 0 HHADLN Cc1csc(C(C#N)C(=O)CSc2nnc(-c3ccco3)n2CC(C)C)n1 ZINC000020077935 963383203 /nfs/dbraw/zinc/38/32/03/963383203.db2.gz HAFHJPGODOFALD-CYBMUJFWSA-N 0 2 401.517 3.928 20 0 HHADLN Cc1cnc(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)cn1 ZINC000025132068 964188283 /nfs/dbraw/zinc/18/82/83/964188283.db2.gz LZTCZEDFPYLFMY-UHFFFAOYSA-N 0 2 420.853 3.631 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)Nc3n[nH]c(C(F)(F)F)c3C)cc2[nH]c1=S ZINC000050008631 964237973 /nfs/dbraw/zinc/23/79/73/964237973.db2.gz VUDXWFQEJSDDBJ-UHFFFAOYSA-N 0 2 409.393 3.548 20 0 HHADLN Cc1ccc(-c2csc(C(C#N)C(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)n2)cc1 ZINC000051150670 964477692 /nfs/dbraw/zinc/47/76/92/964477692.db2.gz FSVDAYSQWPEGCT-WMZOPIPTSA-N 0 2 405.479 3.937 20 0 HHADLN Cc1ccc(-c2csc([C@@H](C#N)C(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)n2)cc1 ZINC000051150670 964477701 /nfs/dbraw/zinc/47/77/01/964477701.db2.gz FSVDAYSQWPEGCT-WMZOPIPTSA-N 0 2 405.479 3.937 20 0 HHADLN Cc1cccc(OCCCNC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1 ZINC000026278694 964511578 /nfs/dbraw/zinc/51/15/78/964511578.db2.gz ABEPPTPWIITAQS-UHFFFAOYSA-N 0 2 423.469 3.580 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000026548338 964596830 /nfs/dbraw/zinc/59/68/30/964596830.db2.gz IVPHNVLHWCSDQD-UHFFFAOYSA-N 0 2 404.469 3.868 20 0 HHADLN CCN(CC(=O)N1CCCCCC1)C(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC000553643959 1013517284 /nfs/dbraw/zinc/51/72/84/1013517284.db2.gz ARGLEOMNEPPLIQ-UHFFFAOYSA-N 0 2 412.534 3.566 20 0 HHADLN COC(=O)c1c(C)cccc1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000028794583 965184763 /nfs/dbraw/zinc/18/47/63/965184763.db2.gz AESRZGKVWAVRGV-UHFFFAOYSA-N 0 2 418.696 3.998 20 0 HHADLN O=C(CCc1nc2ccccc2[nH]1)Nc1nc(-c2ccccc2Br)n[nH]1 ZINC000028902887 965211976 /nfs/dbraw/zinc/21/19/76/965211976.db2.gz ZGHKKTMCFDNDLL-UHFFFAOYSA-N 0 2 411.263 3.682 20 0 HHADLN O=C(NCCc1ccccc1)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000057121085 965292410 /nfs/dbraw/zinc/29/24/10/965292410.db2.gz IXXPXJLXHPXVHZ-UHFFFAOYSA-N 0 2 416.449 3.738 20 0 HHADLN Cc1ccccc1NC(=O)Cc1nc(=O)c2sc(-c3ccc4c(c3)OCO4)cc2[nH]1 ZINC000053854551 965294585 /nfs/dbraw/zinc/29/45/85/965294585.db2.gz YLCLOWPHXGMMPW-UHFFFAOYSA-N 0 2 419.462 3.870 20 0 HHADLN CC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)cc1 ZINC000057123285 965296229 /nfs/dbraw/zinc/29/62/29/965296229.db2.gz NHDQRSSNHJUKAG-INIZCTEOSA-N 0 2 409.891 3.901 20 0 HHADLN CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)s3)n2)o1 ZINC000057680391 965520551 /nfs/dbraw/zinc/52/05/51/965520551.db2.gz NVQNQHUJWWSGSF-UHFFFAOYSA-N 0 2 417.921 3.555 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1[N+](=O)[O-] ZINC000057720232 965529565 /nfs/dbraw/zinc/52/95/65/965529565.db2.gz KVQQQGSZQZVGKO-UHFFFAOYSA-N 0 2 420.428 3.736 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccc2nsnc21 ZINC000057721560 965531422 /nfs/dbraw/zinc/53/14/22/965531422.db2.gz TVDHSYKQLRFKLX-UHFFFAOYSA-N 0 2 410.452 3.894 20 0 HHADLN CCc1cccc(C)c1/N=C1/NC(=O)[C@@H](CC(=O)NCCc2ccccc2F)S1 ZINC000055117303 965760232 /nfs/dbraw/zinc/76/02/32/965760232.db2.gz PSCAJYMACRZJRN-GOSISDBHSA-N 0 2 413.518 3.665 20 0 HHADLN C[C@H]1CCCN(C2=NC(=O)C(CC(=O)Nc3ccccc3Br)S2)C1 ZINC000055117690 965761954 /nfs/dbraw/zinc/76/19/54/965761954.db2.gz NLRLAGYLUYEQKW-FZMZJTMJSA-N 0 2 410.337 3.508 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N2CCc3c(Br)ccc(F)c3C2)s[nH]1 ZINC000542675144 1013597787 /nfs/dbraw/zinc/59/77/87/1013597787.db2.gz ZFWDKQWUZFWOJM-UHFFFAOYSA-N 0 2 413.316 3.749 20 0 HHADLN Cc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2cc(C(N)=O)n(C)c2)c1 ZINC000058659002 965830544 /nfs/dbraw/zinc/83/05/44/965830544.db2.gz WRTGBKBUEJVDIB-UHFFFAOYSA-N 0 2 419.890 3.679 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NC[C@@H]3CCCO[C@H]3c3ccccc3)s[nH]2)c1 ZINC000542688443 1013608307 /nfs/dbraw/zinc/60/83/07/1013608307.db2.gz HYTPCWRFSWDEBN-HKUYNNGSSA-N 0 2 424.526 3.925 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 ZINC000058704641 965852868 /nfs/dbraw/zinc/85/28/68/965852868.db2.gz OBMSXGYEYLKLBI-UHFFFAOYSA-N 0 2 402.497 3.518 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)c1 ZINC000055615633 965963722 /nfs/dbraw/zinc/96/37/22/965963722.db2.gz OEOKZWFWCORXIA-UHFFFAOYSA-N 0 2 404.385 3.535 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)s1 ZINC000055686961 966017770 /nfs/dbraw/zinc/01/77/70/966017770.db2.gz HFZHQFQXDOAWRL-UHFFFAOYSA-N 0 2 408.545 3.883 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N[C@H]3CCc4c3cccc4Cl)cc2[nH]c1=S ZINC000055712133 966029296 /nfs/dbraw/zinc/02/92/96/966029296.db2.gz GCZOZVSUQYENIX-KRWDZBQOSA-N 0 2 411.914 3.942 20 0 HHADLN CC(C)Oc1cccc(CNC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1 ZINC000059836097 966034924 /nfs/dbraw/zinc/03/49/24/966034924.db2.gz MUAMVEWZYKWRPM-UHFFFAOYSA-N 0 2 423.469 3.790 20 0 HHADLN O=C(Cc1cccc2ccccc21)NNC(=O)c1csc(Cc2ccccc2)n1 ZINC000031537823 966045580 /nfs/dbraw/zinc/04/55/80/966045580.db2.gz ZSKRRTWRPYQPEX-UHFFFAOYSA-N 0 2 401.491 3.891 20 0 HHADLN Cc1ccc(OCc2ccc(C(=O)NNC(=O)COc3ccc(C)c(C)c3)o2)c(C)c1 ZINC000059965661 966045896 /nfs/dbraw/zinc/04/58/96/966045896.db2.gz HRRNPQNFMLDHJA-UHFFFAOYSA-N 0 2 422.481 3.932 20 0 HHADLN CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc4[nH]nnc4c3)cc2)cc1 ZINC000032060092 966186339 /nfs/dbraw/zinc/18/63/39/966186339.db2.gz GMLPFAIEEISSMF-UHFFFAOYSA-N 0 2 401.426 3.861 20 0 HHADLN CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2F)cc1 ZINC000032081390 966190272 /nfs/dbraw/zinc/19/02/72/966190272.db2.gz FFTWRNRYTRAALO-UHFFFAOYSA-N 0 2 408.451 3.542 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OC1CCCC1 ZINC000032098600 966194787 /nfs/dbraw/zinc/19/47/87/966194787.db2.gz KCAAGZQNRXRNOM-UHFFFAOYSA-N 0 2 422.459 3.734 20 0 HHADLN Cn1cc([C@H](NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C(C)(C)C)cn1 ZINC000542726561 1013638228 /nfs/dbraw/zinc/63/82/28/1013638228.db2.gz CZNQVWHSTDTIAA-AWEZNQCLSA-N 0 2 404.927 3.923 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(OC(C)C)c(Cl)c1 ZINC000032591649 966289786 /nfs/dbraw/zinc/28/97/86/966289786.db2.gz VVSAHYYPFKYKEM-UHFFFAOYSA-N 0 2 401.868 3.924 20 0 HHADLN CC(C)Oc1ccc(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cn1 ZINC000542729245 1013641681 /nfs/dbraw/zinc/64/16/81/1013641681.db2.gz PZIGTAROOCKIFD-UHFFFAOYSA-N 0 2 403.895 3.784 20 0 HHADLN COc1ccc(Cl)cc1NS(=O)(=O)c1cnc(Cl)c(Br)c1 ZINC000034378346 966415646 /nfs/dbraw/zinc/41/56/46/966415646.db2.gz LBCXQWQHZQYSRD-UHFFFAOYSA-N 0 2 412.092 3.960 20 0 HHADLN Cc1cnc(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)s1 ZINC000037384219 966474543 /nfs/dbraw/zinc/47/45/43/966474543.db2.gz YRRWBCNERBMGPU-UHFFFAOYSA-N 0 2 402.122 4.322 20 0 HHADLN O=C(CCOc1ccccc1)NNC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000061475089 966475910 /nfs/dbraw/zinc/47/59/10/966475910.db2.gz QNDBDCIIBXDZFO-UHFFFAOYSA-N 0 2 407.904 3.755 20 0 HHADLN Cc1ccc(-c2csc(C(C#N)C(=O)Cc3ccc(-n4cnnn4)cc3)n2)cc1 ZINC000041511365 966583373 /nfs/dbraw/zinc/58/33/73/966583373.db2.gz XAPVDXSQGOJDGV-GOSISDBHSA-N 0 2 400.467 3.513 20 0 HHADLN Cc1ccc(-c2csc([C@H](C#N)C(=O)Cc3ccc(-n4cnnn4)cc3)n2)cc1 ZINC000041511365 966583380 /nfs/dbraw/zinc/58/33/80/966583380.db2.gz XAPVDXSQGOJDGV-GOSISDBHSA-N 0 2 400.467 3.513 20 0 HHADLN N#CC(C(=O)COC(c1ccccc1)c1ccccc1)c1nnc2n1CCCCC2 ZINC000041509575 966583417 /nfs/dbraw/zinc/58/34/17/966583417.db2.gz GMUZYGPRRMBIOE-HXUWFJFHSA-N 0 2 400.482 3.987 20 0 HHADLN N#CC(C(=O)Cc1csc(N2CCCC2=O)n1)c1nc(-c2ccccc2)cs1 ZINC000041533926 966590225 /nfs/dbraw/zinc/59/02/25/966590225.db2.gz HNNCKWVTCPVCOF-OAHLLOKOSA-N 0 2 408.508 3.812 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 ZINC000063184214 966771999 /nfs/dbraw/zinc/77/19/99/966771999.db2.gz GIJITWFIWKBWHQ-UHFFFAOYSA-N 0 2 424.450 3.600 20 0 HHADLN CC(C)OC(=O)Cc1nc(=O)c2sc(-c3cccc(Br)c3)cc2[nH]1 ZINC000063580998 966894269 /nfs/dbraw/zinc/89/42/69/966894269.db2.gz QLUSFTYJVIXTQN-UHFFFAOYSA-N 0 2 407.289 3.908 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1ccc2c(c1)CCO2 ZINC000542836874 1013699091 /nfs/dbraw/zinc/69/90/91/1013699091.db2.gz ZOLZPGOCIWQTCP-UHFFFAOYSA-N 0 2 409.389 3.627 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C3CCCC3)nn2C)c2ccccc12 ZINC000542864436 1013718719 /nfs/dbraw/zinc/71/87/19/1013718719.db2.gz CWKGHSITIBAOCO-UHFFFAOYSA-N 0 2 412.515 3.990 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N(C)[C@H](C)c3cc(F)ccc3F)cc2[nH]c1=S ZINC000045260700 967395808 /nfs/dbraw/zinc/39/58/08/967395808.db2.gz OHFWZPQPYMTNDY-GFCCVEGCSA-N 0 2 415.465 3.983 20 0 HHADLN O=C(Nc1ncn(Cc2ccccc2)n1)c1[nH]nc(-c2ccccc2)c1Br ZINC000065216203 967408642 /nfs/dbraw/zinc/40/86/42/967408642.db2.gz LNOCKFNPZQZCMO-UHFFFAOYSA-N 0 2 423.274 3.731 20 0 HHADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)c1 ZINC000542942680 1013775580 /nfs/dbraw/zinc/77/55/80/1013775580.db2.gz FYBFWPMFSBSZTQ-UHFFFAOYSA-N 0 2 400.840 3.676 20 0 HHADLN COc1cccc(-c2nc(CS(=O)(=O)c3nc4ccccc4[nH]3)cs2)c1OC ZINC000047939980 968372041 /nfs/dbraw/zinc/37/20/41/968372041.db2.gz FOZYGZMNCWRLQQ-UHFFFAOYSA-N 0 2 415.496 3.678 20 0 HHADLN COc1ccc(-c2nc(CS(=O)(=O)c3nc4ccccc4[nH]3)cs2)cc1OC ZINC000047939888 968372527 /nfs/dbraw/zinc/37/25/27/968372527.db2.gz OGOOAUCTPUQDHW-UHFFFAOYSA-N 0 2 415.496 3.678 20 0 HHADLN Cc1ccc(CNC(=O)c2cccc(CNC(=O)c3c(O)cc(F)cc3F)c2)cc1 ZINC000066046272 968781396 /nfs/dbraw/zinc/78/13/96/968781396.db2.gz MFKWIZSJPKUTOS-UHFFFAOYSA-N 0 2 410.420 3.839 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)c1 ZINC000538296521 1013831784 /nfs/dbraw/zinc/83/17/84/1013831784.db2.gz NOHFJDHIRRVMAY-UHFFFAOYSA-N 0 2 416.430 3.593 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccccc2-n2cc(Br)cn2)c1 ZINC000071976222 968918671 /nfs/dbraw/zinc/91/86/71/968918671.db2.gz HQYXLFXPSYEYDR-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN Cc1noc2ncc(S(=O)(=O)Nc3ccccc3C(=O)Nc3cccc(C)c3)cc12 ZINC000072066835 968968780 /nfs/dbraw/zinc/96/87/80/968968780.db2.gz XPKQZCBCUIEOII-UHFFFAOYSA-N 0 2 422.466 3.893 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2cc(C(C)C)[nH]n2)cc1 ZINC000097544941 969154142 /nfs/dbraw/zinc/15/41/42/969154142.db2.gz YBSTTWOPOZSXOT-UHFFFAOYSA-N 0 2 404.517 3.956 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N3CCCCC[C@@H]3c3cccn3C)cc2[nH]c1=S ZINC000103474142 969200234 /nfs/dbraw/zinc/20/02/34/969200234.db2.gz CGAKJVKYQINOBN-LJQANCHMSA-N 0 2 410.543 3.801 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000105746689 969261098 /nfs/dbraw/zinc/26/10/98/969261098.db2.gz NNJHYZSLZWCLJH-UHFFFAOYSA-N 0 2 421.453 3.627 20 0 HHADLN O=S(=O)(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(Cl)nc1Cl ZINC000110205934 969636841 /nfs/dbraw/zinc/63/68/41/969636841.db2.gz VIWMMKGUDVOGPX-UHFFFAOYSA-N 0 2 422.721 3.679 20 0 HHADLN O=C(Nc1ccncc1)c1cccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000110364652 969659099 /nfs/dbraw/zinc/65/90/99/969659099.db2.gz QVNDQPJTFDSVNY-UHFFFAOYSA-N 0 2 423.281 3.837 20 0 HHADLN Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cc(-c3ccccc3Cl)on2)c1C ZINC000116924432 969929655 /nfs/dbraw/zinc/92/96/55/969929655.db2.gz JCRXTTDUPCZYDY-AWEZNQCLSA-N 0 2 413.861 3.840 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)NC[C@H]3CCCC[C@H]3C)cc2[nH]c1=S ZINC000195667011 969943427 /nfs/dbraw/zinc/94/34/27/969943427.db2.gz KLGFPBGKTNZKLP-GDBMZVCRSA-N 0 2 403.548 3.652 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cccc(Br)c2)ncc1Br ZINC000122520223 969969674 /nfs/dbraw/zinc/96/96/74/969969674.db2.gz VYVGHHRYGDEEFE-UHFFFAOYSA-N 0 2 406.099 3.716 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3ccc(C(=O)NC(C)(C)C)cc3)cc2[nH]c1=S ZINC000137833649 969981161 /nfs/dbraw/zinc/98/11/61/969981161.db2.gz CHHUMFBBPFSUNO-UHFFFAOYSA-N 0 2 424.526 3.860 20 0 HHADLN O=C(/C=C\c1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000208089156 970016331 /nfs/dbraw/zinc/01/63/31/970016331.db2.gz WUYINQWDIJRAOC-YHYXMXQVSA-N 0 2 420.903 3.644 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N3[C@H](C)CO[C@H](c4ccccc4)[C@@H]3C)cc2[nH]c1=S ZINC000217135777 970082804 /nfs/dbraw/zinc/08/28/04/970082804.db2.gz AQFLZXBRCMAXSR-SIFCLUCFSA-N 0 2 423.538 3.696 20 0 HHADLN O=S(=O)(Nc1cccc(Br)n1)c1ccc(Br)c(F)c1 ZINC000141788797 970130243 /nfs/dbraw/zinc/13/02/43/970130243.db2.gz XWGJIJZIPXCXGD-UHFFFAOYSA-N 0 2 410.062 3.547 20 0 HHADLN O=S(=O)(Nc1ccc2ncsc2c1)c1cc(Br)cnc1Cl ZINC000236050247 970141384 /nfs/dbraw/zinc/14/13/84/970141384.db2.gz QUSCLHWUYPRZFL-UHFFFAOYSA-N 0 2 404.698 3.908 20 0 HHADLN O=C(c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O)N1CCC[C@H]1C1CCC1 ZINC000261394517 970648970 /nfs/dbraw/zinc/64/89/70/970648970.db2.gz WHMPFENLDXBACU-IBGZPJMESA-N 0 2 409.511 3.731 20 0 HHADLN Cc1ccc(I)cc1NS(=O)(=O)c1ccc(F)cc1F ZINC000312470736 972632461 /nfs/dbraw/zinc/63/24/61/972632461.db2.gz UUJSMUYAIPGBQL-UHFFFAOYSA-N 0 2 409.195 3.679 20 0 HHADLN Cc1cc(Br)ccc1NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000315912391 972646677 /nfs/dbraw/zinc/64/66/77/972646677.db2.gz SDVPILFSFPJXFA-UHFFFAOYSA-N 0 2 400.685 3.859 20 0 HHADLN O=S(=O)(Nc1ccc(Br)c(F)c1)c1c(Cl)nc2ccccn21 ZINC000316236038 972649643 /nfs/dbraw/zinc/64/96/43/972649643.db2.gz TWWVMVFFOGVOSS-UHFFFAOYSA-N 0 2 404.648 3.690 20 0 HHADLN Cc1c(NS(=O)(=O)c2cc(Br)cnc2Cl)cccc1[N+](=O)[O-] ZINC000316580404 972650871 /nfs/dbraw/zinc/65/08/71/972650871.db2.gz FDMFGOUKFHRDRK-UHFFFAOYSA-N 0 2 406.645 3.515 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000318633044 972665156 /nfs/dbraw/zinc/66/51/56/972665156.db2.gz YSWUDQUJRUFFAF-UHFFFAOYSA-N 0 2 408.270 3.546 20 0 HHADLN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000322411349 972700275 /nfs/dbraw/zinc/70/02/75/972700275.db2.gz WWGQZPXIKSHXHL-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN O=S(=O)(Nc1ccc2c(c1)CCCO2)c1cc(Br)cnc1Cl ZINC000383979775 972791521 /nfs/dbraw/zinc/79/15/21/972791521.db2.gz RUOYIBYEWBOUGL-UHFFFAOYSA-N 0 2 403.685 3.623 20 0 HHADLN COc1cc(C)c(NS(=O)(=O)c2cc(Br)cnc2Cl)cc1OC ZINC000390423383 972824083 /nfs/dbraw/zinc/82/40/83/972824083.db2.gz QZOLJMQGGWYTJU-UHFFFAOYSA-N 0 2 421.700 3.624 20 0 HHADLN O=C1CCCN1c1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000392449829 972852532 /nfs/dbraw/zinc/85/25/32/972852532.db2.gz GSYRPALHBHIROI-UHFFFAOYSA-N 0 2 413.268 3.516 20 0 HHADLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3cc(Cl)ccc3C(=O)OC)sc2C1 ZINC000409534539 972990991 /nfs/dbraw/zinc/99/09/91/972990991.db2.gz HKRCECIHKUBBCX-SNVBAGLBSA-N 0 2 414.936 3.899 20 0 HHADLN Cc1cccc(OCC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c1 ZINC000409542068 972998213 /nfs/dbraw/zinc/99/82/13/972998213.db2.gz CFDAFGLRBDMDRW-UHFFFAOYSA-N 0 2 405.227 3.699 20 0 HHADLN COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c1 ZINC000409543083 972999530 /nfs/dbraw/zinc/99/95/30/972999530.db2.gz KWPKPHKNJOBPPD-UHFFFAOYSA-N 0 2 421.226 3.643 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cccc3c2OCCO3)sc1Cc1cccc(C)c1 ZINC000409574422 973023960 /nfs/dbraw/zinc/02/39/60/973023960.db2.gz IXZACHGPNCFDAA-UHFFFAOYSA-N 0 2 416.524 3.923 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccc2Br)cc1F ZINC000409583665 973033638 /nfs/dbraw/zinc/03/36/38/973033638.db2.gz HCZSNHBIDGXRKC-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccnn2Cc2ccccc2Br)c1 ZINC000409585544 973034707 /nfs/dbraw/zinc/03/47/07/973034707.db2.gz NKWSZVIJSXWYQW-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)OC)s3)sc2C1 ZINC000409664381 973121003 /nfs/dbraw/zinc/12/10/03/973121003.db2.gz IPXGMUPYKYMEQI-JTQLQIEISA-N 0 2 400.547 3.697 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3ccc(C)s3)s2)c1 ZINC000409667614 973126778 /nfs/dbraw/zinc/12/67/78/973126778.db2.gz UOZFXNQMYDOYBA-UHFFFAOYSA-N 0 2 408.526 3.691 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3cc(C)sc3C)s2)c1 ZINC000409668373 973127895 /nfs/dbraw/zinc/12/78/95/973127895.db2.gz YSQXDGPDJXHZLE-UHFFFAOYSA-N 0 2 422.553 4.000 20 0 HHADLN CCCc1cnc(NS(=O)(=O)Cc2cc(OC)ccc2Br)s1 ZINC000410339269 973923996 /nfs/dbraw/zinc/92/39/96/973923996.db2.gz XPSZJXGMNPEKSO-UHFFFAOYSA-N 0 2 405.339 3.809 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3ccc4ccc(Cl)cc4n3)cc21 ZINC000410351574 973942381 /nfs/dbraw/zinc/94/23/81/973942381.db2.gz IBADHWVAWDDCKE-UHFFFAOYSA-N 0 2 415.902 3.988 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC2CCCC2)cc1OC ZINC000410361922 973954546 /nfs/dbraw/zinc/95/45/46/973954546.db2.gz BCXLBLXQECQPHW-UHFFFAOYSA-N 0 2 405.472 3.604 20 0 HHADLN COc1cncc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)c(Cl)c2)c1 ZINC000410375932 973973162 /nfs/dbraw/zinc/97/31/62/973973162.db2.gz QKXMMVSQNGHIJI-ZDUSSCGKSA-N 0 2 423.922 3.559 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cnn(CC)c2C(F)(F)F)cc1OCC ZINC000410400989 974000410 /nfs/dbraw/zinc/00/04/10/974000410.db2.gz DMAWUKTTXABFHH-UHFFFAOYSA-N 0 2 407.414 3.520 20 0 HHADLN COc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000410400698 974000507 /nfs/dbraw/zinc/00/05/07/974000507.db2.gz TUQMJVQMNAIBJP-UHFFFAOYSA-N 0 2 409.678 3.555 20 0 HHADLN Cc1ccc(-c2ncccc2NS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)s1 ZINC000410401461 974001452 /nfs/dbraw/zinc/00/14/52/974001452.db2.gz WSERODPOTLMUGC-UHFFFAOYSA-N 0 2 407.904 3.672 20 0 HHADLN CCCSc1nc(=NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)s[n-]1 ZINC000426133671 974255076 /nfs/dbraw/zinc/25/50/76/974255076.db2.gz MOYFIUBWZRGQPF-HZPDHXFCSA-N 0 2 414.560 3.709 20 0 HHADLN COCCCOc1ccc(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc1 ZINC000426286451 974372272 /nfs/dbraw/zinc/37/22/72/974372272.db2.gz OHVPCHYCRYRFPF-UHFFFAOYSA-N 0 2 403.891 3.948 20 0 HHADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000426721420 974615735 /nfs/dbraw/zinc/61/57/35/974615735.db2.gz BMBFWNFWPHJSBJ-JOCHJYFZSA-N 0 2 409.873 3.841 20 0 HHADLN Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H](C(=O)[O-])c1ccsc1 ZINC000426833803 974698540 /nfs/dbraw/zinc/69/85/40/974698540.db2.gz MTPLIPQTNSFGHE-MRXNPFEDSA-N 0 2 406.305 3.920 20 0 HHADLN O=S(=O)(Nc1cnc(-c2ccccc2)nc1)c1cccc(OC(F)(F)F)c1F ZINC000427124090 974922663 /nfs/dbraw/zinc/92/26/63/974922663.db2.gz NWMZFNNFVKQJJR-UHFFFAOYSA-N 0 2 413.352 3.982 20 0 HHADLN CCCNC(=O)c1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 ZINC000427123700 974922827 /nfs/dbraw/zinc/92/28/27/974922827.db2.gz YSBCDWZKRLZSIP-UHFFFAOYSA-N 0 2 420.384 3.665 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cnc1C ZINC000427194352 974969396 /nfs/dbraw/zinc/96/93/96/974969396.db2.gz ZHLOUSYQFBPYFI-UHFFFAOYSA-N 0 2 422.466 3.521 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)cnn1C ZINC000427197294 974971702 /nfs/dbraw/zinc/97/17/02/974971702.db2.gz BYENZBJHBIIDAA-UHFFFAOYSA-N 0 2 412.393 3.735 20 0 HHADLN CCN(C)C(=O)c1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 ZINC000427306464 975040304 /nfs/dbraw/zinc/04/03/04/975040304.db2.gz CPDOYRCVUGTEKA-UHFFFAOYSA-N 0 2 420.384 3.617 20 0 HHADLN CCOC(=O)c1cc(COC)cc(NS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000427330928 975057794 /nfs/dbraw/zinc/05/77/94/975057794.db2.gz NXLGAFZDQCDHOY-UHFFFAOYSA-N 0 2 401.843 3.603 20 0 HHADLN COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2nc3c(s2)CCCCCC3)c1 ZINC000427747615 975266006 /nfs/dbraw/zinc/26/60/06/975266006.db2.gz MBPLPTUDLWFAHE-UHFFFAOYSA-N 0 2 424.544 3.536 20 0 HHADLN O=S(=O)(Nc1nccc(-c2ccccc2)n1)c1cccc(OC(F)(F)F)c1F ZINC000427755022 975269887 /nfs/dbraw/zinc/26/98/87/975269887.db2.gz TXCLNDCRNUFLHX-UHFFFAOYSA-N 0 2 413.352 3.982 20 0 HHADLN CN1Cc2cccc(NS(=O)(=O)c3cc(Cl)ccc3OC[C@@H]3CCOC3)c2C1 ZINC000427758878 975272231 /nfs/dbraw/zinc/27/22/31/975272231.db2.gz CYTDLIXRCWDTEE-CQSZACIVSA-N 0 2 422.934 3.502 20 0 HHADLN COc1cc(NS(=O)(=O)c2ccc3nc(C)sc3c2)ncc1Br ZINC000427775194 975282072 /nfs/dbraw/zinc/28/20/72/975282072.db2.gz FSAGFEVUYVOPMX-UHFFFAOYSA-N 0 2 414.306 3.572 20 0 HHADLN COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2nc3c(cc(C)cc3C)s2)c1 ZINC000427775951 975282174 /nfs/dbraw/zinc/28/21/74/975282174.db2.gz AMVHYHQBIFELLN-UHFFFAOYSA-N 0 2 420.512 3.647 20 0 HHADLN COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2ncc(-c3ccccc3)s2)c1 ZINC000427776604 975282692 /nfs/dbraw/zinc/28/26/92/975282692.db2.gz FFUJLUPEBDPVBI-UHFFFAOYSA-N 0 2 418.496 3.544 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2ccc3nc(C)sc3c2)sc1C1CC1 ZINC000427783491 975286215 /nfs/dbraw/zinc/28/62/15/975286215.db2.gz VKUPTMCBGILMSI-UHFFFAOYSA-N 0 2 409.514 3.526 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(CSCC)ccn2)c1 ZINC000427787010 975288026 /nfs/dbraw/zinc/28/80/26/975288026.db2.gz VBMAPCMVFVPECI-UHFFFAOYSA-N 0 2 414.936 3.966 20 0 HHADLN CC(C)n1nc2c(c1NS(=O)(=O)c1cccc(OC(F)(F)F)c1F)CCC2 ZINC000427796190 975293934 /nfs/dbraw/zinc/29/39/34/975293934.db2.gz GZYPDCHNNFDIEH-UHFFFAOYSA-N 0 2 407.389 3.791 20 0 HHADLN O=C(Nc1nc2ccc(F)cc2[nH]1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000428045221 975402919 /nfs/dbraw/zinc/40/29/19/975402919.db2.gz PLGPWJIMJIVVSP-UHFFFAOYSA-N 0 2 410.430 3.755 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)=N1 ZINC000428601992 975911248 /nfs/dbraw/zinc/91/12/48/975911248.db2.gz OXZYAJCNCPASGG-VIFPVBQESA-N 0 2 414.384 3.992 20 0 HHADLN CCCOc1cc(O)ccc1NC(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000429616084 976902152 /nfs/dbraw/zinc/90/21/52/976902152.db2.gz NNFBLGHQKMLBOW-UHFFFAOYSA-N 0 2 400.460 3.774 20 0 HHADLN O=S(=O)(Nc1noc(-c2ccccc2Cl)n1)c1ccc(OCC(F)F)cc1 ZINC000430059187 977302775 /nfs/dbraw/zinc/30/27/75/977302775.db2.gz OUBHZQJIGSGCRB-UHFFFAOYSA-N 0 2 415.805 3.835 20 0 HHADLN CCc1c(-c2ccc(Br)cc2)n[nH]c1NS(=O)(=O)c1ccc(C)nc1 ZINC000430070371 977307473 /nfs/dbraw/zinc/30/74/73/977307473.db2.gz KHYBNJZTXUPXQN-UHFFFAOYSA-N 0 2 421.320 3.906 20 0 HHADLN O=S(=O)(Nc1noc(C2CC2)n1)c1ccc(Br)c(Cl)c1Cl ZINC000430081850 977311779 /nfs/dbraw/zinc/31/17/79/977311779.db2.gz XZOIGXIOKRTPNJ-UHFFFAOYSA-N 0 2 413.080 3.817 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2-c2ncc3n2CCCC3)cs1 ZINC000430373323 977509346 /nfs/dbraw/zinc/50/93/46/977509346.db2.gz UOVRTMKZZONSRT-UHFFFAOYSA-N 0 2 417.512 3.535 20 0 HHADLN O=C(N[C@@H]1Cc2cccc(O)c2C1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430674483 977685776 /nfs/dbraw/zinc/68/57/76/977685776.db2.gz BHHJAIUSWCLQJW-MRXNPFEDSA-N 0 2 412.445 3.923 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(Br)ccc2F)cc(OC)c1C ZINC000431152356 978053830 /nfs/dbraw/zinc/05/38/30/978053830.db2.gz VJZBGWFSJRAGSS-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN COc1cc(NS(=O)(=O)c2sc(C)cc2C)cc(OC)c1Br ZINC000431164339 978065001 /nfs/dbraw/zinc/06/50/01/978065001.db2.gz VMVVXPHSWYWUOU-UHFFFAOYSA-N 0 2 406.323 3.945 20 0 HHADLN COCCc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 ZINC000431307477 978193638 /nfs/dbraw/zinc/19/36/38/978193638.db2.gz GQKLGANAZQKEHQ-UHFFFAOYSA-N 0 2 409.920 3.848 20 0 HHADLN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1nnc(C(F)(F)F)s1 ZINC000431333762 978217812 /nfs/dbraw/zinc/21/78/12/978217812.db2.gz SKXKZHLRNAUPSV-UHFFFAOYSA-N 0 2 416.244 3.737 20 0 HHADLN O=S(=O)(Nc1nnc(SCc2ccccc2)s1)c1ccc2c(c1)COC2 ZINC000431342146 978223900 /nfs/dbraw/zinc/22/39/00/978223900.db2.gz RCDJITBZDRJTSY-UHFFFAOYSA-N 0 2 405.526 3.661 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000432357764 978775954 /nfs/dbraw/zinc/77/59/54/978775954.db2.gz MBAPCZSMIYLTQV-UHFFFAOYSA-N 0 2 410.448 3.746 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)sc1C1CC1 ZINC000432365147 978779596 /nfs/dbraw/zinc/77/95/96/978779596.db2.gz QQEHBOLLKBPZAE-UHFFFAOYSA-N 0 2 407.300 3.915 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)cc1C ZINC000432366541 978780233 /nfs/dbraw/zinc/78/02/33/978780233.db2.gz BHULRCKLBASKQU-UHFFFAOYSA-N 0 2 406.460 3.845 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ncc(-c2ccc(F)cc2)s1 ZINC000432369839 978781844 /nfs/dbraw/zinc/78/18/44/978781844.db2.gz RJAOYICHQCJCEZ-UHFFFAOYSA-N 0 2 410.448 3.692 20 0 HHADLN Cc1noc(-c2ccc(C(F)(F)F)cc2NS(=O)(=O)c2c[nH]c3ncccc23)n1 ZINC000432467754 978829280 /nfs/dbraw/zinc/82/92/80/978829280.db2.gz BHTZMVHJJGBLSN-UHFFFAOYSA-N 0 2 423.376 3.741 20 0 HHADLN CC(C)n1cc(S(=O)(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)cn1 ZINC000432531247 978868061 /nfs/dbraw/zinc/86/80/61/978868061.db2.gz ONQMGEYRKFDFOK-MRXNPFEDSA-N 0 2 403.533 3.585 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)cn1 ZINC000432530233 978868121 /nfs/dbraw/zinc/86/81/21/978868121.db2.gz HWLGHFKAJNTBGI-INIZCTEOSA-N 0 2 416.528 3.601 20 0 HHADLN O=S(=O)(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1ccc2c(c1)COC2 ZINC000432532715 978868541 /nfs/dbraw/zinc/86/85/41/978868541.db2.gz UWXDOZPJWYYVCC-SFHVURJKSA-N 0 2 413.524 3.837 20 0 HHADLN COc1cc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)c(OC)cc1Br ZINC000432649786 978925813 /nfs/dbraw/zinc/92/58/13/978925813.db2.gz VCGAPHAMBYZGCA-UHFFFAOYSA-N 0 2 411.277 3.748 20 0 HHADLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000432939294 979017121 /nfs/dbraw/zinc/01/71/21/979017121.db2.gz SEXIFPVXKAVDGA-UHFFFAOYSA-N 0 2 401.401 3.860 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3cc(C(C)C)c(OC)cc3C)o2)cc1 ZINC000432954854 979022513 /nfs/dbraw/zinc/02/25/13/979022513.db2.gz PJHDYCMZICSEFG-UHFFFAOYSA-N 0 2 417.487 3.986 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)nc1C ZINC000432965538 979027676 /nfs/dbraw/zinc/02/76/76/979027676.db2.gz NXQGQFLEXCGCKD-UHFFFAOYSA-N 0 2 412.533 3.869 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2noc(Cc3ccccc3)n2)c(C)cc1Br ZINC000432972562 979029848 /nfs/dbraw/zinc/02/98/48/979029848.db2.gz RPYYCICGFHRHIP-UHFFFAOYSA-N 0 2 422.304 3.841 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)c1C ZINC000433371293 979259672 /nfs/dbraw/zinc/25/96/72/979259672.db2.gz AWBRSSQYGWXPCN-UHFFFAOYSA-N 0 2 413.908 3.872 20 0 HHADLN CNC(=O)CCOc1ccc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)cc1 ZINC000433524334 979357892 /nfs/dbraw/zinc/35/78/92/979357892.db2.gz IMJRORKVIYTXHI-UHFFFAOYSA-N 0 2 424.931 3.870 20 0 HHADLN CC(=O)NCc1ccc(NS(=O)(=O)c2cc(Br)sc2Cl)cc1 ZINC000433600262 979416625 /nfs/dbraw/zinc/41/66/25/979416625.db2.gz RDXNOIPURWWECD-UHFFFAOYSA-N 0 2 423.741 3.601 20 0 HHADLN O=C1CCc2cc(NS(=O)(=O)c3cc(Br)sc3Cl)ccc2N1 ZINC000433606577 979421026 /nfs/dbraw/zinc/42/10/26/979421026.db2.gz ZMPOLJQERRBUHP-UHFFFAOYSA-N 0 2 421.725 3.850 20 0 HHADLN O=S(=O)(NCCC(F)(F)F)c1scc(Br)c1Br ZINC000433679650 979478606 /nfs/dbraw/zinc/47/86/06/979478606.db2.gz VYJYPFBJQAJLEA-UHFFFAOYSA-N 0 2 417.066 3.504 20 0 HHADLN CC(C)(C)C1CCC(c2cc(NS(=O)(=O)c3cccc(C(N)=O)c3)[nH]n2)CC1 ZINC000434966338 980537175 /nfs/dbraw/zinc/53/71/75/980537175.db2.gz XQGREPCGKFQTRL-UHFFFAOYSA-N 0 2 404.536 3.629 20 0 HHADLN C[C@H]1CCc2nc(NS(=O)(=O)c3cc(F)ccc3Br)sc2C1 ZINC000434977618 980544632 /nfs/dbraw/zinc/54/46/32/980544632.db2.gz RCMDTCOEPAMYKG-QMMMGPOBSA-N 0 2 405.314 3.970 20 0 HHADLN Cc1c(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cnn1-c1cc(C)ccc1C ZINC000435106021 980642209 /nfs/dbraw/zinc/64/22/09/980642209.db2.gz ZFKLLSVGWUTJGC-UHFFFAOYSA-N 0 2 407.499 3.780 20 0 HHADLN COCCCOc1ccccc1NS(=O)(=O)c1cccc(C)c1Br ZINC000435129507 980660666 /nfs/dbraw/zinc/66/06/66/980660666.db2.gz KDXFADUOZUIJFC-UHFFFAOYSA-N 0 2 414.321 3.974 20 0 HHADLN CCOC(=O)c1ccccc1NS(=O)(=O)c1cc(F)ccc1Br ZINC000435138477 980669600 /nfs/dbraw/zinc/66/96/00/980669600.db2.gz SIMVHSZYYMPRMX-UHFFFAOYSA-N 0 2 402.241 3.566 20 0 HHADLN COc1cc(OC)c(NS(=O)(=O)c2cc(F)ccc2Br)cc1F ZINC000435141441 980673623 /nfs/dbraw/zinc/67/36/23/980673623.db2.gz OQQMTYNJAMSBBD-UHFFFAOYSA-N 0 2 408.220 3.545 20 0 HHADLN Cc1c(NS(=O)(=O)c2cc(Br)ccc2F)cnn1-c1ccccc1 ZINC000435142121 980674624 /nfs/dbraw/zinc/67/46/24/980674624.db2.gz UHIFEVSNSCOMHI-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2nc(C)c(C)s2)cc1Cl ZINC000435178003 980700873 /nfs/dbraw/zinc/70/08/73/980700873.db2.gz QOXYPMPIDJDTSS-UHFFFAOYSA-N 0 2 411.730 3.985 20 0 HHADLN O=C(NC1CC1)c1cccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435501576 980906018 /nfs/dbraw/zinc/90/60/18/980906018.db2.gz MNSPMXCFSJXEFW-UHFFFAOYSA-N 0 2 403.262 3.826 20 0 HHADLN O=S(=O)(Nc1nccc(-c2cncc(F)c2)n1)c1c(Cl)cc(F)cc1Cl ZINC000435904457 981084972 /nfs/dbraw/zinc/08/49/72/981084972.db2.gz ZTTHQLLATLOIBY-UHFFFAOYSA-N 0 2 417.224 3.924 20 0 HHADLN Cc1cc([C@H]2CCCN2C(=O)c2c[nH]c3c(cnn3C)c2=O)ccc1Br ZINC000435959138 981114321 /nfs/dbraw/zinc/11/43/21/981114321.db2.gz BWVIMPMFNLCQBH-MRXNPFEDSA-N 0 2 415.291 3.722 20 0 HHADLN Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@@H]1c1ccc(Br)c(F)c1)c2=O ZINC000435967529 981120258 /nfs/dbraw/zinc/12/02/58/981120258.db2.gz UFHDYKVUARENNJ-OAHLLOKOSA-N 0 2 419.254 3.553 20 0 HHADLN Cc1c(C[S@](C)=O)cccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000436014414 981156000 /nfs/dbraw/zinc/15/60/00/981156000.db2.gz DVHMOKGCJKBKMF-VWLOTQADSA-N 0 2 409.426 3.832 20 0 HHADLN Cc1ccsc1Cn1nccc1NS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000436014597 981156022 /nfs/dbraw/zinc/15/60/22/981156022.db2.gz FRPBZZYZRZESJQ-UHFFFAOYSA-N 0 2 411.512 3.559 20 0 HHADLN O=S(=O)(Nc1cccc(OCc2cccnc2)c1)c1cnc(-c2ccccc2)nc1 ZINC000436020901 981160674 /nfs/dbraw/zinc/16/06/74/981160674.db2.gz MHMPUWLXANUKTK-UHFFFAOYSA-N 0 2 418.478 3.918 20 0 HHADLN Cc1cc(Oc2ccc(NS(=O)(=O)c3cnc(-c4ccccc4)nc3)cc2)n[nH]1 ZINC000436029415 981167661 /nfs/dbraw/zinc/16/76/61/981167661.db2.gz SAXXMUDQQLZNEY-UHFFFAOYSA-N 0 2 407.455 3.768 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1cc(Br)ccc1F ZINC000436198351 981245691 /nfs/dbraw/zinc/24/56/91/981245691.db2.gz NEJZQQPNJSZSTQ-UHFFFAOYSA-N 0 2 408.270 3.546 20 0 HHADLN CCOc1ccncc1S(=O)(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000436475971 981393194 /nfs/dbraw/zinc/39/31/94/981393194.db2.gz DBRBXSIDVWUAQB-UHFFFAOYSA-N 0 2 412.471 3.925 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)Nc1ccccc1N(C)C ZINC000436493395 981399444 /nfs/dbraw/zinc/39/94/44/981399444.db2.gz FWVIAMOHJIOVMK-IBGZPJMESA-N 0 2 421.545 3.997 20 0 HHADLN C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1cc(F)cc(Br)c1O ZINC000436510063 981409128 /nfs/dbraw/zinc/40/91/28/981409128.db2.gz CQMHYJOZFMBCEM-GFCCVEGCSA-N 0 2 423.282 3.585 20 0 HHADLN O=C(NCc1ccccc1-c1ccc(Cn2cncn2)cc1)c1cc(F)c(O)c(F)c1 ZINC000436521215 981415247 /nfs/dbraw/zinc/41/52/47/981415247.db2.gz COLMUJAWFFACRO-UHFFFAOYSA-N 0 2 420.419 3.907 20 0 HHADLN O=C(N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc(F)c(O)c(F)c1 ZINC000436523654 981416604 /nfs/dbraw/zinc/41/66/04/981416604.db2.gz UYUCBLKGJXEHPG-NSHDSACASA-N 0 2 402.319 3.578 20 0 HHADLN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cc(F)cc(Br)c1O ZINC000436542874 981431963 /nfs/dbraw/zinc/43/19/63/981431963.db2.gz FMICZLGIQLHYBM-WMLDXEAASA-N 0 2 416.250 3.765 20 0 HHADLN O=C(c1ccc(Br)cc1O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000436608487 981472180 /nfs/dbraw/zinc/47/21/80/981472180.db2.gz UJPQXEXRSFVGSN-HNNXBMFYSA-N 0 2 413.275 3.917 20 0 HHADLN CCC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(F)cc2Br)c1 ZINC000436610815 981473373 /nfs/dbraw/zinc/47/33/73/981473373.db2.gz VFJXKIUTMCYHKO-UHFFFAOYSA-N 0 2 402.241 3.687 20 0 HHADLN CCCC(=O)NC[C@H]1CCCN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000436634621 981484937 /nfs/dbraw/zinc/48/49/37/981484937.db2.gz MOPXUVGAZGXHKF-LLVKDONJSA-N 0 2 417.731 3.577 20 0 HHADLN CC(C)c1nc(C2CCN(C(=O)c3cc(F)cc(Br)c3O)CC2)no1 ZINC000436671063 981503248 /nfs/dbraw/zinc/50/32/48/981503248.db2.gz UEDKSGJMMHXCBQ-UHFFFAOYSA-N 0 2 412.259 3.820 20 0 HHADLN C[C@H](NC(=O)c1cc(F)cc(Br)c1O)[C@H]1OCCc2sccc21 ZINC000436686183 981512375 /nfs/dbraw/zinc/51/23/75/981512375.db2.gz GCJQZHURCWVDKR-VXJOIVPMSA-N 0 2 400.269 3.788 20 0 HHADLN O=C(N[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1)c1cc(F)c(O)c(F)c1 ZINC000436708102 981523494 /nfs/dbraw/zinc/52/34/94/981523494.db2.gz UILUALWCINNQOR-GOSISDBHSA-N 0 2 401.331 3.821 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000436709899 981524164 /nfs/dbraw/zinc/52/41/64/981524164.db2.gz XIZVGOFFDPBSST-VIFPVBQESA-N 0 2 412.671 3.698 20 0 HHADLN CC1(C)CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)c2ccccc21 ZINC000436782240 981559386 /nfs/dbraw/zinc/55/93/86/981559386.db2.gz WSOJJVRXUPLYRN-UHFFFAOYSA-N 0 2 414.527 3.505 20 0 HHADLN COc1cc(OC)cc(N2CCCN(C(=O)c3cc(F)cc(Cl)c3O)CC2)c1 ZINC000436789874 981562005 /nfs/dbraw/zinc/56/20/05/981562005.db2.gz FOHLNXKRDUQFOS-UHFFFAOYSA-N 0 2 408.857 3.554 20 0 HHADLN CC(C)C(=O)Nc1ccc(CNC(=O)c2cc(F)cc(Br)c2O)cc1 ZINC000436846212 981587318 /nfs/dbraw/zinc/58/73/18/981587318.db2.gz GOCNVJCJBKFMAP-UHFFFAOYSA-N 0 2 409.255 3.818 20 0 HHADLN CCOc1ccccc1N1CCN(C(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436846944 981587892 /nfs/dbraw/zinc/58/78/92/981587892.db2.gz CTSLYMNLVNLDBP-UHFFFAOYSA-N 0 2 423.282 3.655 20 0 HHADLN CO[C@@H](C)C(=O)Nc1cccc(NC(=O)c2cc(F)cc(Br)c2O)c1 ZINC000436849255 981588862 /nfs/dbraw/zinc/58/88/62/981588862.db2.gz RKZNZBIFYBNCGU-VIFPVBQESA-N 0 2 411.227 3.520 20 0 HHADLN Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc(F)cc(Br)c1O ZINC000436850141 981589573 /nfs/dbraw/zinc/58/95/73/981589573.db2.gz YVRUCXKCZRELPY-UHFFFAOYSA-N 0 2 409.255 3.691 20 0 HHADLN CC(=O)N1CCCc2cc(NC(=O)c3cc(F)cc(Br)c3O)ccc21 ZINC000436852556 981591435 /nfs/dbraw/zinc/59/14/35/981591435.db2.gz AIGCCVBVCJXGSP-UHFFFAOYSA-N 0 2 407.239 3.845 20 0 HHADLN CCc1cc(=O)c2cc(NC(=O)c3cc(F)cc(Br)c3O)ccc2[nH]1 ZINC000436852127 981591496 /nfs/dbraw/zinc/59/14/96/981591496.db2.gz NPEFKOFFSOCRLK-UHFFFAOYSA-N 0 2 405.223 3.950 20 0 HHADLN COc1ccc(C[C@@H](C)NC(=O)c2cc(F)cc(Br)c2O)cc1OC ZINC000436855014 981593565 /nfs/dbraw/zinc/59/35/65/981593565.db2.gz HEHHFNUYGHYTLA-SNVBAGLBSA-N 0 2 412.255 3.672 20 0 HHADLN C[C@H]1CN(C(=O)c2cc(F)cc(Br)c2O)C[C@H](c2ccsc2)O1 ZINC000436864547 981596693 /nfs/dbraw/zinc/59/66/93/981596693.db2.gz NXYOQZHGJPRZBT-LKFCYVNXSA-N 0 2 400.269 3.958 20 0 HHADLN Cc1ccccc1-c1noc(-c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)n1 ZINC000436889103 981602477 /nfs/dbraw/zinc/60/24/77/981602477.db2.gz BBLPXGWDJICQLO-UHFFFAOYSA-N 0 2 421.478 3.896 20 0 HHADLN O=S(=O)(NCc1ccccc1)c1ccc(O)c(-c2nc(C3CCCCC3)no2)c1 ZINC000436892443 981603463 /nfs/dbraw/zinc/60/34/63/981603463.db2.gz LWNHYRCUXLCVPX-UHFFFAOYSA-N 0 2 413.499 3.968 20 0 HHADLN COC(C)(C)c1noc(-c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O)n1 ZINC000436896023 981605186 /nfs/dbraw/zinc/60/51/86/981605186.db2.gz ZTSNANURCAOURG-UHFFFAOYSA-N 0 2 423.878 3.778 20 0 HHADLN O=C(NC1CCN(CC(F)(F)F)CC1)c1cc(Cl)cc(Br)c1O ZINC000436906445 981612757 /nfs/dbraw/zinc/61/27/57/981612757.db2.gz QIUDCZPEZLZXKC-UHFFFAOYSA-N 0 2 415.637 3.565 20 0 HHADLN CC(C)c1cccc(N(C)C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)c1 ZINC000436912094 981617651 /nfs/dbraw/zinc/61/76/51/981617651.db2.gz VXVAXBOCTUDRQK-UHFFFAOYSA-N 0 2 402.516 3.577 20 0 HHADLN CC[C@H]1NC(=O)N(c2cccc(NC(=O)c3c(O)cc(Cl)cc3Cl)c2)C1=O ZINC000436915279 981620914 /nfs/dbraw/zinc/62/09/14/981620914.db2.gz PVEAHDRSTOFWKW-CYBMUJFWSA-N 0 2 408.241 3.786 20 0 HHADLN O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc(Br)cc(Cl)c1[O-] ZINC000436934673 981632647 /nfs/dbraw/zinc/63/26/47/981632647.db2.gz YJDURQYPKAQIMF-UHFFFAOYSA-N 0 2 420.694 3.983 20 0 HHADLN O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O ZINC000436935387 981633056 /nfs/dbraw/zinc/63/30/56/981633056.db2.gz PAHSAUSDZCLNNK-UHFFFAOYSA-N 0 2 416.886 3.776 20 0 HHADLN Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2cc(F)c(O)c(F)c2)c1C ZINC000436965332 981652712 /nfs/dbraw/zinc/65/27/12/981652712.db2.gz JCXZNGJGTNPWAD-INIZCTEOSA-N 0 2 418.440 3.547 20 0 HHADLN CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(Cl)cc(Br)c1O ZINC000436966553 981653584 /nfs/dbraw/zinc/65/35/84/981653584.db2.gz VQTMJBMQJPEIBT-NSHDSACASA-N 0 2 412.667 3.720 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NCc1ccc(-c2ccco2)cc1F ZINC000448250927 981654096 /nfs/dbraw/zinc/65/40/96/981654096.db2.gz ZNEBBAOWJDBTLZ-UHFFFAOYSA-N 0 2 421.432 3.782 20 0 HHADLN CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000436967893 981654640 /nfs/dbraw/zinc/65/46/40/981654640.db2.gz RGHWKPSGFORNHZ-ABKXIKBNSA-N 0 2 400.219 3.939 20 0 HHADLN CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000448468194 981805737 /nfs/dbraw/zinc/80/57/37/981805737.db2.gz SUVALZZPNKZYQE-UHFFFAOYSA-N 0 2 419.529 3.693 20 0 HHADLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)s1 ZINC000437177839 981833448 /nfs/dbraw/zinc/83/34/48/981833448.db2.gz UPZFFFKBQJYJMZ-UHFFFAOYSA-N 0 2 402.929 3.854 20 0 HHADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1nnc(C(C)C)s1 ZINC000437188454 981844044 /nfs/dbraw/zinc/84/40/44/981844044.db2.gz HUXPNTFZWNOFMS-UHFFFAOYSA-N 0 2 406.327 3.542 20 0 HHADLN O=C1CCCc2cc(S(=O)(=O)Nc3nnc(CC4CCCCC4)s3)ccc2N1 ZINC000437189007 981844917 /nfs/dbraw/zinc/84/49/17/981844917.db2.gz QUCYJLLIINVMIC-UHFFFAOYSA-N 0 2 420.560 3.737 20 0 HHADLN CC(C)n1cnc(S(=O)(=O)Nc2noc(-c3ccccc3)c2Br)c1 ZINC000448538633 981866690 /nfs/dbraw/zinc/86/66/90/981866690.db2.gz PXFCLFWOOAZVGM-UHFFFAOYSA-N 0 2 411.281 3.682 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc3c(s2)C[C@@H](C)CC3)c1 ZINC000437310019 981961917 /nfs/dbraw/zinc/96/19/17/981961917.db2.gz PBVRUAOABLEUCW-VIFPVBQESA-N 0 2 400.909 3.509 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2nc(C)c(Cc3cccc(F)c3)s2)c1C ZINC000437312703 981965300 /nfs/dbraw/zinc/96/53/00/981965300.db2.gz PMZBCPCDKATVEC-UHFFFAOYSA-N 0 2 408.524 3.815 20 0 HHADLN O=C1CCCc2cc(S(=O)(=O)Nc3ccnn3-c3ccc(Cl)cc3)ccc2N1 ZINC000437321653 981972992 /nfs/dbraw/zinc/97/29/92/981972992.db2.gz GXGICPKQRIJTGC-UHFFFAOYSA-N 0 2 416.890 3.601 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2ccnn2-c2ccc(Cl)cc2)cc1OC ZINC000437330568 981981701 /nfs/dbraw/zinc/98/17/01/981981701.db2.gz DVPVUEGYAQFESJ-UHFFFAOYSA-N 0 2 407.879 3.652 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)c1C ZINC000437338070 981988327 /nfs/dbraw/zinc/98/83/27/981988327.db2.gz DTGYPBHAZOWEEN-UHFFFAOYSA-N 0 2 409.515 3.874 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)c1C ZINC000437415705 982057379 /nfs/dbraw/zinc/05/73/79/982057379.db2.gz WROAHZSKNXFJRF-UHFFFAOYSA-N 0 2 404.561 3.985 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccc2)cc1Br ZINC000437422818 982062971 /nfs/dbraw/zinc/06/29/71/982062971.db2.gz RMMJHMYIUZJTBL-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN O=S(=O)(Nc1ccc(-c2nccs2)cc1)c1cnn(-c2ccccc2F)c1 ZINC000460421479 982208741 /nfs/dbraw/zinc/20/87/41/982208741.db2.gz RATWYGRYYYYJGJ-UHFFFAOYSA-N 0 2 400.460 3.936 20 0 HHADLN CCCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCCc1n[nH]c(=O)[nH]1 ZINC000437584134 982210966 /nfs/dbraw/zinc/21/09/66/982210966.db2.gz ZBSHQIOSJUATEF-UHFFFAOYSA-N 0 2 424.288 3.787 20 0 HHADLN O=S(=O)(Nc1ccccc1N1CCCCC1)c1cnn(-c2ccccc2F)c1 ZINC000460438101 982229140 /nfs/dbraw/zinc/22/91/40/982229140.db2.gz OLFMWUFRNRLHBY-UHFFFAOYSA-N 0 2 400.479 3.803 20 0 HHADLN CCC(=O)Nc1ccc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1 ZINC000460439463 982230788 /nfs/dbraw/zinc/23/07/88/982230788.db2.gz YKMUZDWHFOOJOK-UHFFFAOYSA-N 0 2 418.906 3.983 20 0 HHADLN Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000460442635 982233763 /nfs/dbraw/zinc/23/37/63/982233763.db2.gz GDJPEJXPIWQVAP-UHFFFAOYSA-N 0 2 411.462 3.615 20 0 HHADLN O=C(Nc1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000437662315 982278487 /nfs/dbraw/zinc/27/84/87/982278487.db2.gz MGDIIVQZJQGIAC-UHFFFAOYSA-N 0 2 416.890 3.536 20 0 HHADLN CC(=O)NCCc1ccc(S(=O)(=O)Nc2cccnc2-c2ccc(C)s2)s1 ZINC000437672337 982287356 /nfs/dbraw/zinc/28/73/56/982287356.db2.gz VLYYDLUPOBOVFL-UHFFFAOYSA-N 0 2 421.569 3.659 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cc(C)sc2C)nc1C(F)(F)F ZINC000460528939 982316363 /nfs/dbraw/zinc/31/63/63/982316363.db2.gz WMQUCRXBRKVJAN-UHFFFAOYSA-N 0 2 414.452 3.818 20 0 HHADLN CC(C)Oc1ccc(S(=O)(=O)Nc2cnc3c(Br)cccn23)cc1 ZINC000460651171 982423668 /nfs/dbraw/zinc/42/36/68/982423668.db2.gz SFYYAFUZELKQMI-UHFFFAOYSA-N 0 2 410.293 3.685 20 0 HHADLN Cc1ccc(Cc2cnc(NS(=O)(=O)c3cnc4n3CCC4)s2)cc1Cl ZINC000437935136 982471298 /nfs/dbraw/zinc/47/12/98/982471298.db2.gz RMNKMNKXQFPSEJ-UHFFFAOYSA-N 0 2 408.936 3.639 20 0 HHADLN CC(=O)N(C)c1ccccc1NS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000460825121 982576422 /nfs/dbraw/zinc/57/64/22/982576422.db2.gz VFUJRUYRNIBSSQ-UHFFFAOYSA-N 0 2 418.906 3.618 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1C ZINC000460826745 982577554 /nfs/dbraw/zinc/57/75/54/982577554.db2.gz CLAAGAYUQDYVDC-UHFFFAOYSA-N 0 2 419.890 3.730 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)CCNc2ncc(C(F)(F)F)cc2Cl)s[nH]1 ZINC000460883400 982622513 /nfs/dbraw/zinc/62/25/13/982622513.db2.gz USMHSSNYBODZJM-UHFFFAOYSA-N 0 2 407.849 3.765 20 0 HHADLN Cc1ccc(OCc2nc(NS(=O)(=O)c3ccc(C(F)(F)F)s3)no2)cc1 ZINC000461111322 982799931 /nfs/dbraw/zinc/79/99/31/982799931.db2.gz KYSYOPSXVGVTLE-UHFFFAOYSA-N 0 2 419.406 3.838 20 0 HHADLN O=S(=O)(Nc1nccc2sccc21)c1cccc(I)c1 ZINC000461110915 982800340 /nfs/dbraw/zinc/80/03/40/982800340.db2.gz XIGZDPAZMLJEGP-UHFFFAOYSA-N 0 2 416.265 3.702 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2NC(=O)c2cccs2)cs1 ZINC000438759885 983051420 /nfs/dbraw/zinc/05/14/20/983051420.db2.gz ZWWOCLBVUGMPHH-UHFFFAOYSA-N 0 2 422.509 3.649 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(OC(C)(C)C)cc2)cn1 ZINC000438775291 983063575 /nfs/dbraw/zinc/06/35/75/983063575.db2.gz SQHFCKXEEVRUFW-UHFFFAOYSA-N 0 2 401.488 3.859 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2SC)c(Br)c1 ZINC000438794738 983075587 /nfs/dbraw/zinc/07/55/87/983075587.db2.gz NQEOMANEOZBNLC-UHFFFAOYSA-N 0 2 416.318 3.758 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cn1 ZINC000438797188 983076711 /nfs/dbraw/zinc/07/67/11/983076711.db2.gz SYQJXUNUNYAWLF-UHFFFAOYSA-N 0 2 424.482 3.954 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(-c3cnc(C)o3)cc2)cn1 ZINC000438804550 983081097 /nfs/dbraw/zinc/08/10/97/983081097.db2.gz XODQSLZNRRWPAF-UHFFFAOYSA-N 0 2 410.455 3.645 20 0 HHADLN CC[C@H](C)Oc1cccc(NS(=O)(=O)c2cnn(-c3ccccc3OC)c2)c1 ZINC000438806809 983083054 /nfs/dbraw/zinc/08/30/54/983083054.db2.gz BHCNZTNNGNYDCO-HNNXBMFYSA-N 0 2 401.488 3.859 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1cn[nH]c1)c1cc(Br)c(F)cc1F ZINC000438808107 983083697 /nfs/dbraw/zinc/08/36/97/983083697.db2.gz FOSTYGCZYSMLQD-UHFFFAOYSA-N 0 2 414.231 3.918 20 0 HHADLN O=c1nc(Cn2cnc3ccccc32)[nH]c2cc(-c3ccc4c(c3)OCCO4)sc21 ZINC000438872229 983134151 /nfs/dbraw/zinc/13/41/51/983134151.db2.gz SALDSQZENGGIEC-UHFFFAOYSA-N 0 2 416.462 3.821 20 0 HHADLN CCc1ccccc1NC(=O)CN(C)C(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC000438918916 983153220 /nfs/dbraw/zinc/15/32/20/983153220.db2.gz LUHRSGSETXLAID-UHFFFAOYSA-N 0 2 420.513 3.974 20 0 HHADLN CCNC(=O)N1CCc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)s3)cc21 ZINC000439036415 983222550 /nfs/dbraw/zinc/22/25/50/983222550.db2.gz BCDZLXHWPDSHQS-UHFFFAOYSA-N 0 2 407.561 3.938 20 0 HHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)s1 ZINC000439050514 983227843 /nfs/dbraw/zinc/22/78/43/983227843.db2.gz MYJBVDTVWVPGKC-OAHLLOKOSA-N 0 2 408.545 3.964 20 0 HHADLN CCCS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)c1 ZINC000439050015 983227952 /nfs/dbraw/zinc/22/79/52/983227952.db2.gz KOILKTGQKBRBCR-UHFFFAOYSA-N 0 2 416.590 3.998 20 0 HHADLN O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)C1=NN(c2ccccc2)CC1=O ZINC000439127317 983263237 /nfs/dbraw/zinc/26/32/37/983263237.db2.gz ANXDQUGCXGHQQO-UHFFFAOYSA-N 0 2 423.476 3.906 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)=N1 ZINC000439127952 983263770 /nfs/dbraw/zinc/26/37/70/983263770.db2.gz CQXHUTQDGOYTBS-HNNXBMFYSA-N 0 2 417.469 3.605 20 0 HHADLN CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)C1=NN(c3ccccc3)CC1=O)O[C@H](C)C2 ZINC000439205679 983310461 /nfs/dbraw/zinc/31/04/61/983310461.db2.gz OKFNRVFAHTYXDN-LJHODMEESA-N 0 2 419.481 3.586 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NCCCN(C(=O)C3CCC3)C3CC3)=N2)cc1 ZINC000439232278 983322144 /nfs/dbraw/zinc/32/21/44/983322144.db2.gz JRXFTHQBKMRDST-UHFFFAOYSA-N 0 2 424.545 3.612 20 0 HHADLN COc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cc1F ZINC000439243319 983327792 /nfs/dbraw/zinc/32/77/92/983327792.db2.gz DHNKBRCYCJCQRY-UHFFFAOYSA-N 0 2 409.190 3.773 20 0 HHADLN CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cc1 ZINC000439253253 983333408 /nfs/dbraw/zinc/33/34/08/983333408.db2.gz RROHRKKLZRDSDG-UHFFFAOYSA-N 0 2 418.226 3.584 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C)CCCOCc3ccccc3)s[nH]2)c1 ZINC000439377748 983385599 /nfs/dbraw/zinc/38/55/99/983385599.db2.gz JXYHAKOAEOFCFS-UHFFFAOYSA-N 0 2 412.515 3.706 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nc(CN3CCC(C)CC3)cs2)c(F)cc1F ZINC000439882968 983568762 /nfs/dbraw/zinc/56/87/62/983568762.db2.gz MMDXKORIBUNGNK-UHFFFAOYSA-N 0 2 401.504 3.762 20 0 HHADLN COc1cc(S(=O)(=O)Nc2c(C)cnn2-c2ccccc2)ccc1Br ZINC000439892168 983573149 /nfs/dbraw/zinc/57/31/49/983573149.db2.gz RNIXJGBNSPSHBN-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)c(F)cc1F ZINC000440291313 983708566 /nfs/dbraw/zinc/70/85/66/983708566.db2.gz KOBCFLFENDCPAG-UHFFFAOYSA-N 0 2 415.483 3.790 20 0 HHADLN O=S(=O)(Nc1nc2c(ccc3ccccc23)s1)c1cnn(C2CCOCC2)c1 ZINC000441390972 984226243 /nfs/dbraw/zinc/22/62/43/984226243.db2.gz ZOWHXMUNMJSWRA-UHFFFAOYSA-N 0 2 414.512 3.798 20 0 HHADLN CCCc1ccc(-c2cc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)[nH]n2)cc1 ZINC000442350841 984856363 /nfs/dbraw/zinc/85/63/63/984856363.db2.gz OGZDCPQKRIEUHQ-UHFFFAOYSA-N 0 2 412.515 3.532 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccnc(N4CCC[C@H](C)C4)c3)s[nH]2)c1 ZINC000462020346 984999094 /nfs/dbraw/zinc/99/90/94/984999094.db2.gz KZGDDZOHIUCZRL-AWEZNQCLSA-N 0 2 409.515 3.519 20 0 HHADLN CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000462159026 985133730 /nfs/dbraw/zinc/13/37/30/985133730.db2.gz YWQITYWKXHDJMC-ZDUSSCGKSA-N 0 2 416.877 3.876 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000442811804 985224110 /nfs/dbraw/zinc/22/41/10/985224110.db2.gz CYYBFEXVMYTLOD-UHFFFAOYSA-N 0 2 404.469 3.831 20 0 HHADLN CCCC[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3c(C)csc3C(=O)OC)c2C1 ZINC000442822939 985228531 /nfs/dbraw/zinc/22/85/31/985228531.db2.gz YMDAQGJHZUCDNS-UHFFFAOYSA-N 0 2 408.545 3.760 20 0 HHADLN CCCC[N@H+]1Cc2cccc([N-]S(=O)(=O)c3c(C)csc3C(=O)OC)c2C1 ZINC000442822939 985228545 /nfs/dbraw/zinc/22/85/45/985228545.db2.gz YMDAQGJHZUCDNS-UHFFFAOYSA-N 0 2 408.545 3.760 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(OCc2ccncc2)cc1 ZINC000442829457 985232621 /nfs/dbraw/zinc/23/26/21/985232621.db2.gz VDFZHJNPIPJFGK-UHFFFAOYSA-N 0 2 418.496 3.618 20 0 HHADLN CCCn1ccc2cc(NS(=O)(=O)c3ccc(C(=O)OC)cc3OC)ccc21 ZINC000442835325 985236769 /nfs/dbraw/zinc/23/67/69/985236769.db2.gz FTGNLBDXGXGUCK-UHFFFAOYSA-N 0 2 402.472 3.647 20 0 HHADLN COc1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)c(O)c1 ZINC000442836087 985237649 /nfs/dbraw/zinc/23/76/49/985237649.db2.gz GIYPIILCKSNSOX-UHFFFAOYSA-N 0 2 410.648 3.757 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(OC)c(Cl)c2)c(OC)c1 ZINC000442837090 985237751 /nfs/dbraw/zinc/23/77/51/985237751.db2.gz JHWXEMMHGFXVIN-UHFFFAOYSA-N 0 2 420.270 3.598 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccc(Cl)cc2)c1)c1cnccc1C(F)(F)F ZINC000442838341 985238667 /nfs/dbraw/zinc/23/86/67/985238667.db2.gz PRVCGKBIEBQKOJ-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN CN(CCCCCc1cc(-c2cccc(F)c2)no1)S(=O)(=O)NCC(F)(F)F ZINC000442981420 985315696 /nfs/dbraw/zinc/31/56/96/985315696.db2.gz FJBCRNAXYGOCKS-UHFFFAOYSA-N 0 2 423.432 3.522 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)Cc2ccc(C)s2)c(F)c1Cl ZINC000462347710 985337163 /nfs/dbraw/zinc/33/71/63/985337163.db2.gz RSBQLFWNWPYDAD-QMMMGPOBSA-N 0 2 422.906 3.856 20 0 HHADLN CN(C)c1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)c(C(F)(F)F)c1 ZINC000443136240 985399221 /nfs/dbraw/zinc/39/92/21/985399221.db2.gz QYBUQMUARGVVBG-UHFFFAOYSA-N 0 2 413.343 3.986 20 0 HHADLN CC1(C)Cc2nc(NS(=O)(=O)c3cnccc3C(F)(F)F)sc2C(=O)C1 ZINC000443147905 985407623 /nfs/dbraw/zinc/40/76/23/985407623.db2.gz SNZCDPNGRXDSPU-UHFFFAOYSA-N 0 2 405.423 3.513 20 0 HHADLN O=S(=O)(Nc1nc2c(cc(F)c(F)c2F)s1)c1cnccc1C(F)(F)F ZINC000443148503 985408147 /nfs/dbraw/zinc/40/81/47/985408147.db2.gz YIGHTDVMDKMELM-UHFFFAOYSA-N 0 2 413.324 3.928 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2nnc(-c3cc4cc(C)ccc4o3)o2)c1 ZINC000443162181 985418295 /nfs/dbraw/zinc/41/82/95/985418295.db2.gz YNUZLSKTBLRSSM-UHFFFAOYSA-N 0 2 415.427 3.609 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2ccc(Cl)cc2)c(F)c1Cl ZINC000462466036 985425114 /nfs/dbraw/zinc/42/51/14/985425114.db2.gz GDLNWMCIHNRJMV-UHFFFAOYSA-N 0 2 409.241 3.709 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)c(C)c(OC)c1 ZINC000443420688 985577437 /nfs/dbraw/zinc/57/74/37/985577437.db2.gz VAQFUSAHDKKMCU-UHFFFAOYSA-N 0 2 416.858 3.564 20 0 HHADLN CS[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccccc1 ZINC000443576743 985751737 /nfs/dbraw/zinc/75/17/37/985751737.db2.gz BZYJXUPVGOXEKP-MRXNPFEDSA-N 0 2 419.553 3.987 20 0 HHADLN Cc1cc(C)nc(-n2cc(C(=O)N=c3nc(-c4ccccc4)[nH]s3)c(C(C)C)n2)n1 ZINC000443850560 986054032 /nfs/dbraw/zinc/05/40/32/986054032.db2.gz GQVBPAMXDFUZSJ-UHFFFAOYSA-N 0 2 419.514 3.595 20 0 HHADLN Cc1ccc(C)c(S(=O)(=O)NCCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC000463105473 986066430 /nfs/dbraw/zinc/06/64/30/986066430.db2.gz GNTUHJHZCVINSY-UHFFFAOYSA-N 0 2 417.314 3.623 20 0 HHADLN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000463111294 986073804 /nfs/dbraw/zinc/07/38/04/986073804.db2.gz WSTMFGPQMUGSIB-UHFFFAOYSA-N 0 2 419.268 3.724 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000463159397 986130741 /nfs/dbraw/zinc/13/07/41/986130741.db2.gz BQYQUDXSYPEUCB-UHFFFAOYSA-N 0 2 419.272 3.595 20 0 HHADLN CC(=O)NCc1ccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)s1 ZINC000463159862 986131389 /nfs/dbraw/zinc/13/13/89/986131389.db2.gz GMGGCKJOCFQQHQ-UHFFFAOYSA-N 0 2 410.286 3.728 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000463163131 986135041 /nfs/dbraw/zinc/13/50/41/986135041.db2.gz RBYTZTGNJIJCJI-SECBINFHSA-N 0 2 422.238 3.991 20 0 HHADLN Cc1nn2c(nc(C)cc2C)c1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463163393 986135070 /nfs/dbraw/zinc/13/50/70/986135070.db2.gz CYXPBHIXHVUQNJ-UHFFFAOYSA-N 0 2 416.272 3.999 20 0 HHADLN O=C(CCCNC(=O)c1ccsc1)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463164700 986136089 /nfs/dbraw/zinc/13/60/89/986136089.db2.gz OQSFODZCXCFHLX-UHFFFAOYSA-N 0 2 424.313 3.989 20 0 HHADLN O=C(CCn1c(=O)oc2ccccc21)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463166625 986138735 /nfs/dbraw/zinc/13/87/35/986138735.db2.gz ZCUPBBDSBSRATC-UHFFFAOYSA-N 0 2 418.240 3.715 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1cnc(-c2ccccc2)nc1 ZINC000444047238 986245413 /nfs/dbraw/zinc/24/54/13/986245413.db2.gz DNOYRNDHKQBVIS-UHFFFAOYSA-N 0 2 401.498 3.524 20 0 HHADLN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1nnc(-c2ccccc2)o1 ZINC000444059437 986260905 /nfs/dbraw/zinc/26/09/05/986260905.db2.gz NCHYIXMLRNHWAC-UHFFFAOYSA-N 0 2 408.277 3.917 20 0 HHADLN Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000444061130 986262851 /nfs/dbraw/zinc/26/28/51/986262851.db2.gz ZBUAUVHKMRWXCE-UHFFFAOYSA-N 0 2 400.357 3.534 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3ccc(C)c(Br)c3)o2)c(C)o1 ZINC000444065230 986268144 /nfs/dbraw/zinc/26/81/44/986268144.db2.gz OFDITQQXCGWRIA-UHFFFAOYSA-N 0 2 412.265 3.818 20 0 HHADLN CC[C@H](CNC(=O)c1cn[nH]c1-c1cnn(C)c1)Cc1cccc(Br)c1 ZINC000444077561 986279709 /nfs/dbraw/zinc/27/97/09/986279709.db2.gz BYHLXPDIHUBTOZ-ZDUSSCGKSA-N 0 2 416.323 3.571 20 0 HHADLN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCc3c2cccc3-c2ccccc2)c1 ZINC000468588207 986295854 /nfs/dbraw/zinc/29/58/54/986295854.db2.gz JXTOSOZNVBEUMX-UHFFFAOYSA-N 0 2 422.506 3.512 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@@H](C)c3ccc(NC(N)=O)cc3)=N2)cc1 ZINC000468609547 986323739 /nfs/dbraw/zinc/32/37/39/986323739.db2.gz QVLLKQMSRPCSTL-AWEZNQCLSA-N 0 2 407.474 3.683 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@@H](C[S@@](C)=O)c3ccccc3)=N2)cc1 ZINC000468610637 986324595 /nfs/dbraw/zinc/32/45/95/986324595.db2.gz ZFOZFTZLAMJDLM-ADXZGYQBSA-N 0 2 411.527 3.551 20 0 HHADLN CCCCCOc1ccc(S(=O)(=O)Nc2nnc(-c3c[nH]nc3C)s2)cc1 ZINC000444198562 986377589 /nfs/dbraw/zinc/37/75/89/986377589.db2.gz PVHIQBGTFIABSG-UHFFFAOYSA-N 0 2 407.521 3.606 20 0 HHADLN COCCN(CCCc1ccccc1)C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000468699994 986412843 /nfs/dbraw/zinc/41/28/43/986412843.db2.gz MPKZCEWOLYJDPQ-UHFFFAOYSA-N 0 2 411.477 3.747 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cn1 ZINC000463441654 986420089 /nfs/dbraw/zinc/42/00/89/986420089.db2.gz DPVJHSQZOOYVDF-UHFFFAOYSA-N 0 2 422.869 3.749 20 0 HHADLN CCO[C@H](C)c1nc(CN(C)C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)cs1 ZINC000468743579 986456896 /nfs/dbraw/zinc/45/68/96/986456896.db2.gz MGSFRIJHOZNAME-CYBMUJFWSA-N 0 2 418.494 3.852 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nccc(-c2ccco2)n1 ZINC000468760172 986474008 /nfs/dbraw/zinc/47/40/08/986474008.db2.gz ANGZOCFMHGYBDI-GFCCVEGCSA-N 0 2 423.878 3.605 20 0 HHADLN Cn1cc(-c2[nH]ncc2C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cn1 ZINC000444293658 986479954 /nfs/dbraw/zinc/47/99/54/986479954.db2.gz UWANDMZUESQZOC-UHFFFAOYSA-N 0 2 412.906 3.560 20 0 HHADLN Cc1cnn(Cc2ccccc2F)c1NS(=O)(=O)c1cccc(Br)c1 ZINC000468803032 986512006 /nfs/dbraw/zinc/51/20/06/986512006.db2.gz CVPPYSGBVRMIEN-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)ccc1F ZINC000468879884 986586636 /nfs/dbraw/zinc/58/66/36/986586636.db2.gz IFOJTGZNKAWTIL-UHFFFAOYSA-N 0 2 401.463 3.773 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)[C@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)s[nH]2)c1 ZINC000463730006 986716408 /nfs/dbraw/zinc/71/64/08/986716408.db2.gz QJMGLBBSTISJFP-OLZOCXBDSA-N 0 2 405.401 3.795 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)=N1 ZINC000469049142 986758971 /nfs/dbraw/zinc/75/89/71/986758971.db2.gz QIPOYJPOCFKOFX-FQEVSTJZSA-N 0 2 423.488 3.889 20 0 HHADLN O=C(Nc1ncc(C(F)(F)F)s1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000463784390 986775361 /nfs/dbraw/zinc/77/53/61/986775361.db2.gz RYAQGVDSYJKEAQ-UHFFFAOYSA-N 0 2 400.165 3.752 20 0 HHADLN CC[C@H](C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)N1CCCC1=O ZINC000469531470 987206379 /nfs/dbraw/zinc/20/63/79/987206379.db2.gz RKLMSRRLWJASCW-GOSISDBHSA-N 0 2 422.510 3.759 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCC(CN4CCCCC4=O)CC3)=N2)c1 ZINC000469714392 987368910 /nfs/dbraw/zinc/36/89/10/987368910.db2.gz YQKZOBRUQPOMOE-UHFFFAOYSA-N 0 2 424.545 3.566 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)NCc3cccc(NC(=O)N(C)C)c3)=N2)c1 ZINC000469725536 987376806 /nfs/dbraw/zinc/37/68/06/987376806.db2.gz ONAWIPZCMXVGHV-UHFFFAOYSA-N 0 2 421.501 3.725 20 0 HHADLN CC(C)[C@H]1CCC[C@@H](NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)CC1 ZINC000469758359 987411990 /nfs/dbraw/zinc/41/19/90/987411990.db2.gz XAGCASAVSHQTTG-LSDHHAIUSA-N 0 2 424.592 3.617 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(O)c(-c3nc(-c4ccoc4)no3)c2)cc1 ZINC000445455816 987523512 /nfs/dbraw/zinc/52/35/12/987523512.db2.gz LSDCNJGQPCQRPG-UHFFFAOYSA-N 0 2 413.411 3.512 20 0 HHADLN O=C(N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)[C@H]1CCc2c[nH]nc2C1 ZINC000463823005 987920808 /nfs/dbraw/zinc/92/08/08/987920808.db2.gz GDBIEBRKZKJCJI-HNNXBMFYSA-N 0 2 417.494 3.886 20 0 HHADLN CCOC(=O)c1c(NS(=O)(=O)c2ccc3ccccc3c2)cc(OC)cc1OC ZINC000470437286 988407994 /nfs/dbraw/zinc/40/79/94/988407994.db2.gz UDBDGXUGXFXMKE-UHFFFAOYSA-N 0 2 415.467 3.835 20 0 HHADLN O=S(=O)(Nc1ccccc1O[C@H]1CCOC1)c1ccccc1OC(F)(F)F ZINC000470455131 988438485 /nfs/dbraw/zinc/43/84/85/988438485.db2.gz IFAUQTQNNHAZPI-LBPRGKRZSA-N 0 2 403.378 3.554 20 0 HHADLN CN(C(=O)NCc1nnc(COc2ccccc2)[nH]1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000464342662 988487936 /nfs/dbraw/zinc/48/79/36/988487936.db2.gz OTXDXQQUBONJNT-CABCVRRESA-N 0 2 411.428 3.646 20 0 HHADLN CCc1c(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)cnn1-c1ccccc1OC ZINC000470583352 988596088 /nfs/dbraw/zinc/59/60/88/988596088.db2.gz NHEDLCVLMZLXMD-UHFFFAOYSA-N 0 2 406.421 3.620 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C3C(C)(C)C3(C)C)cc2)nc(C)n1 ZINC000470832174 988905834 /nfs/dbraw/zinc/90/58/34/988905834.db2.gz OUUVLNNWLXIHAC-UHFFFAOYSA-N 0 2 402.520 3.515 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3cc(C)c(OC)cc3C)s2)c1 ZINC000471507222 989705802 /nfs/dbraw/zinc/70/58/02/989705802.db2.gz JWZMYJXZFCFONH-UHFFFAOYSA-N 0 2 419.528 3.564 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2ccc3c(c2)N(C)CC3)s1)c1ccccc1 ZINC000471510038 989709112 /nfs/dbraw/zinc/70/91/12/989709112.db2.gz FSRMWGVQCWSXDS-QGZVFWFLSA-N 0 2 414.556 3.873 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3cc(F)ccc3Cl)s2)c1 ZINC000471511506 989710424 /nfs/dbraw/zinc/71/04/24/989710424.db2.gz JMAXJTNAKZEDAS-UHFFFAOYSA-N 0 2 413.883 3.731 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2ccc3c(c2)COC3)s1)c1ccccc1 ZINC000471518054 989717533 /nfs/dbraw/zinc/71/75/33/989717533.db2.gz LKVIAMDMSYGYBJ-QGZVFWFLSA-N 0 2 401.513 3.911 20 0 HHADLN CN1CCc2ccc(S(=O)(=O)Nc3nnc(C(C)(C)c4ccccc4)s3)cc21 ZINC000471525805 989725633 /nfs/dbraw/zinc/72/56/33/989725633.db2.gz LTDDBWGRPXKSNT-UHFFFAOYSA-N 0 2 414.556 3.657 20 0 HHADLN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cc(CC3CCCCC3)n[nH]2)cc1 ZINC000471525783 989725740 /nfs/dbraw/zinc/72/57/40/989725740.db2.gz LLLXIKPXPJITSK-UHFFFAOYSA-N 0 2 418.563 3.815 20 0 HHADLN O=S(=O)(Nc1cnn(C(F)F)c1)c1cc(Cl)c(Br)cc1F ZINC000471580122 989783352 /nfs/dbraw/zinc/78/33/52/989783352.db2.gz FKMWSSUAXOIPPQ-UHFFFAOYSA-N 0 2 404.595 3.634 20 0 HHADLN CCc1c(C(=O)N=c2nc(-c3ccccc3)[nH]s2)cnn1-c1ccc(OC)cc1 ZINC000471732004 989928396 /nfs/dbraw/zinc/92/83/96/989928396.db2.gz RFWQJXDRSDYLIS-UHFFFAOYSA-N 0 2 405.483 3.636 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)C(C)(C)c3ccc(OC)c(OC)c3)s[nH]2)c1 ZINC000466330928 991584917 /nfs/dbraw/zinc/58/49/17/991584917.db2.gz KZWDOIVYJNSRIP-UHFFFAOYSA-N 0 2 413.499 3.569 20 0 HHADLN COc1ccc(C(=O)Nc2ccc(C(=O)N=c3nc(C(C)(C)C)[nH]s3)s2)cc1 ZINC000466336329 991591585 /nfs/dbraw/zinc/59/15/85/991591585.db2.gz GVTFGQYFUYYWAU-UHFFFAOYSA-N 0 2 416.528 3.832 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(-c2ccccc2)nn1C(C)C ZINC000466379167 991663659 /nfs/dbraw/zinc/66/36/59/991663659.db2.gz BVBYHFWOFTVXET-UHFFFAOYSA-N 0 2 417.462 3.858 20 0 HHADLN Cn1cc(-c2ncccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cn1 ZINC000466419304 991709866 /nfs/dbraw/zinc/70/98/66/991709866.db2.gz JNXCAFQSKZGVCG-UHFFFAOYSA-N 0 2 416.812 3.955 20 0 HHADLN CCc1c(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)cnn1-c1ccccc1 ZINC000466471349 991762731 /nfs/dbraw/zinc/76/27/31/991762731.db2.gz BNCCUZLQHFKDGH-UHFFFAOYSA-N 0 2 401.536 3.705 20 0 HHADLN CCc1c(NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cnn1-c1ccccc1 ZINC000466663441 991977383 /nfs/dbraw/zinc/97/73/83/991977383.db2.gz FONIFKIJACETQJ-UHFFFAOYSA-N 0 2 408.487 3.809 20 0 HHADLN COc1ccc(OC(C)C)c(NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000467354167 992673011 /nfs/dbraw/zinc/67/30/11/992673011.db2.gz MAEKGROFCTUFCE-UHFFFAOYSA-N 0 2 402.476 3.857 20 0 HHADLN COC(=O)[C@@H](c1ccccc1C(F)(F)F)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000467491506 992778660 /nfs/dbraw/zinc/77/86/60/992778660.db2.gz ICIYYSSHFUEACY-CQSZACIVSA-N 0 2 411.405 3.762 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCCc4c5cccc(F)c5[nH]c4C3)=N2)cc1 ZINC000467796426 993031088 /nfs/dbraw/zinc/03/10/88/993031088.db2.gz DWQDBWJYAPSQOF-UHFFFAOYSA-N 0 2 420.444 3.796 20 0 HHADLN CCC(=O)c1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1 ZINC000472169570 993216409 /nfs/dbraw/zinc/21/64/09/993216409.db2.gz GYTGWSMIIILQMG-UHFFFAOYSA-N 0 2 415.496 3.789 20 0 HHADLN CN1CC[C@H](NC(=O)N=c2nc(C(C)(C)C)[nH]s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472304378 993316955 /nfs/dbraw/zinc/31/69/55/993316955.db2.gz IDJQABJELXKLOG-KBPBESRZSA-N 0 2 411.934 3.617 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccc2Cl)s1)c1ccc2c(c1)OCCCO2 ZINC000472432745 993434286 /nfs/dbraw/zinc/43/42/86/993434286.db2.gz QMTYXZXIKLXOLI-UHFFFAOYSA-N 0 2 423.903 3.821 20 0 HHADLN O=S(=O)(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1ccccc1C(F)(F)F ZINC000481017257 993859958 /nfs/dbraw/zinc/85/99/58/993859958.db2.gz CAWCEWZWLUIZDB-UHFFFAOYSA-N 0 2 416.812 3.799 20 0 HHADLN CC(C)(C)C1CCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 ZINC000472932838 993861497 /nfs/dbraw/zinc/86/14/97/993861497.db2.gz VCYIMGIKKUZBKC-UHFFFAOYSA-N 0 2 407.561 3.842 20 0 HHADLN COc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473403124 994258081 /nfs/dbraw/zinc/25/80/81/994258081.db2.gz GHNDMWRNTMMQJS-UHFFFAOYSA-N 0 2 421.277 3.644 20 0 HHADLN COc1cccc(-c2nc(C(=O)Nc3nnc(-c4cc(F)ccc4C)s3)no2)c1 ZINC000473415055 994267244 /nfs/dbraw/zinc/26/72/44/994267244.db2.gz OCYNMOYXLAXSFE-UHFFFAOYSA-N 0 2 411.418 3.964 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cnn(CC(C)C)c3C)cc2c1C ZINC000473489285 994333783 /nfs/dbraw/zinc/33/37/83/994333783.db2.gz LEDZBBDHHVYYJX-UHFFFAOYSA-N 0 2 419.503 3.880 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000473498242 994344640 /nfs/dbraw/zinc/34/46/40/994344640.db2.gz ODAIZVRAOJWMKW-UHFFFAOYSA-N 0 2 423.807 3.960 20 0 HHADLN COc1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000481564227 994399181 /nfs/dbraw/zinc/39/91/81/994399181.db2.gz GDPANVNMZIUIKJ-UHFFFAOYSA-N 0 2 409.357 3.671 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1cccc(COCC2CC2)c1 ZINC000473666255 994553963 /nfs/dbraw/zinc/55/39/63/994553963.db2.gz XJKNJZMMWMAQET-UHFFFAOYSA-N 0 2 407.474 3.632 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)o2)c(Br)c1 ZINC000481850445 994706535 /nfs/dbraw/zinc/70/65/35/994706535.db2.gz XOWYJLHMJOHJGE-UHFFFAOYSA-N 0 2 416.297 3.689 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2ccc(C)c3ncccc23)c1 ZINC000481860974 994720239 /nfs/dbraw/zinc/72/02/39/994720239.db2.gz OPJWSGODXMCVGU-UHFFFAOYSA-N 0 2 418.446 3.668 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccs2)o1)c1ccc(Br)c(F)c1 ZINC000481862564 994722404 /nfs/dbraw/zinc/72/24/04/994722404.db2.gz QMIOOYVEQLUMJI-UHFFFAOYSA-N 0 2 404.242 3.501 20 0 HHADLN CCc1ccc(-c2noc([C@@H](C)NC(=O)N=c3nc(C(C)(C)C)[nH]s3)n2)cc1 ZINC000473799726 994725430 /nfs/dbraw/zinc/72/54/30/994725430.db2.gz LJWKKJDURUARPP-LLVKDONJSA-N 0 2 400.508 3.753 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3)o2)c(Br)c1 ZINC000481865897 994726234 /nfs/dbraw/zinc/72/62/34/994726234.db2.gz JMBQDWAUZJWMIC-UHFFFAOYSA-N 0 2 408.277 3.532 20 0 HHADLN Cc1cc(-c2noc([C@H](C)NC(=O)N=c3nc(C(C)(C)C)[nH]s3)n2)ccc1F ZINC000473801335 994727395 /nfs/dbraw/zinc/72/73/95/994727395.db2.gz VPUYGHIEKJNQPU-JTQLQIEISA-N 0 2 404.471 3.638 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3ccc(C(C)(C)C)s3)o2)c1 ZINC000481870659 994733494 /nfs/dbraw/zinc/73/34/94/994733494.db2.gz PRQMTFMRAINIGG-UHFFFAOYSA-N 0 2 407.517 3.829 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2)o1)c1ccc(OC(F)F)c(Cl)c1 ZINC000481884504 994750292 /nfs/dbraw/zinc/75/02/92/994750292.db2.gz OQXZOQJFLHHZGI-UHFFFAOYSA-N 0 2 415.805 3.716 20 0 HHADLN C[C@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccccc1OC(F)F ZINC000473882693 994830132 /nfs/dbraw/zinc/83/01/32/994830132.db2.gz FVEMBYJHBUVSQH-ZDUSSCGKSA-N 0 2 417.416 3.546 20 0 HHADLN O=S(=O)(Nc1ccc(OC2CCC2)c(F)c1)c1cnn(Cc2ccccc2)c1 ZINC000481981748 994878664 /nfs/dbraw/zinc/87/86/64/994878664.db2.gz OVQHASCIPYOKFP-UHFFFAOYSA-N 0 2 401.463 3.803 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000473915457 994882026 /nfs/dbraw/zinc/88/20/26/994882026.db2.gz UGCUSANPZJNLAU-VQTJNVASSA-N 0 2 405.502 3.909 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000473951986 994929887 /nfs/dbraw/zinc/92/98/87/994929887.db2.gz VATJNPONEABFGW-CTNGQTDRSA-N 0 2 419.529 3.984 20 0 HHADLN CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474028524 995020520 /nfs/dbraw/zinc/02/05/20/995020520.db2.gz FSYQKVGXXNPORH-IBGZPJMESA-N 0 2 411.481 3.589 20 0 HHADLN C[C@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1c(F)cccc1Cl ZINC000474031964 995022613 /nfs/dbraw/zinc/02/26/13/995022613.db2.gz JJIIHYBOCWWMGI-LBPRGKRZSA-N 0 2 403.845 3.737 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000474045596 995036316 /nfs/dbraw/zinc/03/63/16/995036316.db2.gz QKLKPLMHHPNVGZ-ZIAGYGMSSA-N 0 2 411.428 3.552 20 0 HHADLN CCN(C(=O)NCc1nnc(COc2ccccc2)[nH]1)[C@@H](C)c1cccc(OC)c1 ZINC000474071130 995057231 /nfs/dbraw/zinc/05/72/31/995057231.db2.gz CVVVHBDBFNQYIC-INIZCTEOSA-N 0 2 409.490 3.685 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCC[C@H]1CCc1ccccc1 ZINC000474071093 995057623 /nfs/dbraw/zinc/05/76/23/995057623.db2.gz CMPGNJVPXSLOPZ-IBGZPJMESA-N 0 2 405.502 3.691 20 0 HHADLN Cc1ccc(CN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C2CC2)cc1C ZINC000474077283 995063211 /nfs/dbraw/zinc/06/32/11/995063211.db2.gz VOJMEIMJYMQKLL-UHFFFAOYSA-N 0 2 405.502 3.875 20 0 HHADLN COc1ccc2c(c1)CCC[C@H]2N(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474087079 995068958 /nfs/dbraw/zinc/06/89/58/995068958.db2.gz FBEJANWKALNTMQ-HXUWFJFHSA-N 0 2 421.501 3.611 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCC(=Cc2ccccc2F)CC1 ZINC000474086493 995069180 /nfs/dbraw/zinc/06/91/80/995069180.db2.gz FPADKBYUNCUDHL-UHFFFAOYSA-N 0 2 421.476 3.912 20 0 HHADLN C[C@H]1[C@@H](Cc2ccccc2)CCN1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474086593 995069332 /nfs/dbraw/zinc/06/93/32/995069332.db2.gz BCJZNJUERYUFTA-PKOBYXMFSA-N 0 2 405.502 3.546 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000474088251 995070944 /nfs/dbraw/zinc/07/09/44/995070944.db2.gz HVJQRQDLNNSPLZ-UHFFFAOYSA-N 0 2 423.492 3.687 20 0 HHADLN C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1 ZINC000474093548 995076142 /nfs/dbraw/zinc/07/61/42/995076142.db2.gz FFTDWRSUXVRPAS-HSZRJFAPSA-N 0 2 405.502 3.647 20 0 HHADLN CCOc1ccc([C@@H]2CCCN2C(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000474098351 995079520 /nfs/dbraw/zinc/07/95/20/995079520.db2.gz ROKBCFBDWGUGFM-FQEVSTJZSA-N 0 2 421.501 3.829 20 0 HHADLN O=C(Cc1coc(-c2ccc(Cl)cc2)n1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474573555 995535395 /nfs/dbraw/zinc/53/53/95/995535395.db2.gz IKHCNHDSLNARKL-UHFFFAOYSA-N 0 2 423.860 3.551 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccc(Br)cc1Cl ZINC000474576138 995537716 /nfs/dbraw/zinc/53/77/16/995537716.db2.gz LXEYODXSGQMEFJ-UHFFFAOYSA-N 0 2 421.682 3.730 20 0 HHADLN Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2nnc(COc3ccccc3)[nH]2)c1 ZINC000474580214 995540017 /nfs/dbraw/zinc/54/00/17/995540017.db2.gz PDVUBZZCUSJUTD-QGZVFWFLSA-N 0 2 408.502 3.899 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccc(Oc2cccnc2)cc1 ZINC000474581894 995541779 /nfs/dbraw/zinc/54/17/79/995541779.db2.gz NWFHVFPGRCABQI-UHFFFAOYSA-N 0 2 401.426 3.501 20 0 HHADLN O=C(CCc1ccc(Cl)cc1Cl)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474582788 995542908 /nfs/dbraw/zinc/54/29/08/995542908.db2.gz XQBRPZPXMBWFQP-UHFFFAOYSA-N 0 2 405.285 3.940 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1csc(-c2ccccc2F)n1 ZINC000474584233 995544345 /nfs/dbraw/zinc/54/43/45/995544345.db2.gz JCOCZFVLMAWZOK-UHFFFAOYSA-N 0 2 409.446 3.576 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccccc1NCc1ccco1 ZINC000474928737 995807292 /nfs/dbraw/zinc/80/72/92/995807292.db2.gz PNLOPVPVESMKSP-UHFFFAOYSA-N 0 2 403.442 3.519 20 0 HHADLN COc1ccccc1[C@@H](NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1)c1ccco1 ZINC000483196277 996031491 /nfs/dbraw/zinc/03/14/91/996031491.db2.gz LFVDBSHVDVIVSP-GOSISDBHSA-N 0 2 424.482 3.930 20 0 HHADLN Cn1cc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)c(-c2ccc(Cl)s2)n1 ZINC000475353874 996085851 /nfs/dbraw/zinc/08/58/51/996085851.db2.gz GKQHTBJQUKWPBH-UHFFFAOYSA-N 0 2 401.904 3.995 20 0 HHADLN C[C@H](Sc1ccccn1)C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000475514632 996194361 /nfs/dbraw/zinc/19/43/61/996194361.db2.gz YBYCJSMODFVADN-VIFPVBQESA-N 0 2 422.283 3.888 20 0 HHADLN CN(C)c1cc(CNC(=O)N=c2nc(-c3ccccc3)[nH]s2)c2ccccc2n1 ZINC000475660604 996283485 /nfs/dbraw/zinc/28/34/85/996283485.db2.gz IJMUTCDDXCJSNJ-UHFFFAOYSA-N 0 2 404.499 3.563 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(CS(=O)(=O)C(C)(C)C)cc2)cc1F ZINC000475737789 996337046 /nfs/dbraw/zinc/33/70/46/996337046.db2.gz FMINBQVCMVHDMC-UHFFFAOYSA-N 0 2 417.499 3.787 20 0 HHADLN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3cnc(C(C)(C)C)nc3)ccc2s1 ZINC000475817914 996390822 /nfs/dbraw/zinc/39/08/22/996390822.db2.gz JBYFXHMZLHHVPC-UHFFFAOYSA-N 0 2 419.528 3.966 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3cccnc3)ccc2C)c(OC)c1 ZINC000475823569 996394098 /nfs/dbraw/zinc/39/40/98/996394098.db2.gz DUMDTQOCGSMVAL-UHFFFAOYSA-N 0 2 412.467 3.653 20 0 HHADLN CC(C)(C)c1ccccc1S(=O)(=O)Nc1nc2ccc(Br)cn2n1 ZINC000484018266 996524149 /nfs/dbraw/zinc/52/41/49/996524149.db2.gz OQZZKOSGPCIDLH-UHFFFAOYSA-N 0 2 409.309 3.590 20 0 HHADLN O=S(=O)(Nc1ccccc1Nc1ccc(F)cc1F)c1cnn([C@H]2CCOC2)c1 ZINC000484146931 996598761 /nfs/dbraw/zinc/59/87/61/996598761.db2.gz UXBGWIREFJCFOQ-AWEZNQCLSA-N 0 2 420.441 3.667 20 0 HHADLN C[C@@H]1CCCN(Cc2csc(NC(=O)c3[nH]cnc3C(=O)c3ccccc3)n2)C1 ZINC000484274202 996672565 /nfs/dbraw/zinc/67/25/65/996672565.db2.gz KFBHUGSPWHXYSG-CQSZACIVSA-N 0 2 409.515 3.581 20 0 HHADLN C[C@@H](Oc1ccccc1Br)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000484282701 996677463 /nfs/dbraw/zinc/67/74/63/996677463.db2.gz LMLABWYMLVEKQK-SECBINFHSA-N 0 2 410.318 3.857 20 0 HHADLN C[C@H](Oc1ccccc1Br)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000484282702 996677638 /nfs/dbraw/zinc/67/76/38/996677638.db2.gz LMLABWYMLVEKQK-VIFPVBQESA-N 0 2 410.318 3.857 20 0 HHADLN CC(C)n1ncc2c1C[C@@H](NC(=O)N=c1nc(-c3cccc(Cl)c3)[nH]s1)CC2 ZINC000484340204 996714243 /nfs/dbraw/zinc/71/42/43/996714243.db2.gz HBNUMWCCMBEZTG-HNNXBMFYSA-N 0 2 416.938 3.737 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(OCc4ccccc4)nc3)s[nH]2)c1 ZINC000476314913 996750132 /nfs/dbraw/zinc/75/01/32/996750132.db2.gz HWKFMVLPDWPYMI-UHFFFAOYSA-N 0 2 418.478 3.862 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(Cn4nc(C)cc4C)cc3)s[nH]2)c1 ZINC000476346256 996769350 /nfs/dbraw/zinc/76/93/50/996769350.db2.gz HBIADYONJITTAI-UHFFFAOYSA-N 0 2 419.510 3.750 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)CCCOc3cccc(C(C)=O)c3)s[nH]2)c1 ZINC000476348692 996771097 /nfs/dbraw/zinc/77/10/97/996771097.db2.gz LKCXVYQCCLTZBE-UHFFFAOYSA-N 0 2 411.483 3.636 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cnn(-c4ccccc4F)c3C)s[nH]2)c1 ZINC000476351939 996772592 /nfs/dbraw/zinc/77/25/92/996772592.db2.gz PHBMMAAEEDRLLA-UHFFFAOYSA-N 0 2 409.446 3.521 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cccc(Br)c1C ZINC000484512717 996843568 /nfs/dbraw/zinc/84/35/68/996843568.db2.gz HGHRIRXGJWEMNU-UHFFFAOYSA-N 0 2 402.266 3.500 20 0 HHADLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)ccc2SC)c1 ZINC000476392357 996843816 /nfs/dbraw/zinc/84/38/16/996843816.db2.gz XUCILSZZKGETAL-UHFFFAOYSA-N 0 2 401.893 3.658 20 0 HHADLN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1c(F)cccc1F ZINC000484564724 996898275 /nfs/dbraw/zinc/89/82/75/996898275.db2.gz NAPXYJHABZHAHL-LLVKDONJSA-N 0 2 423.466 3.964 20 0 HHADLN CN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1CCc2ccccc21 ZINC000476431553 996902545 /nfs/dbraw/zinc/90/25/45/996902545.db2.gz RAKYMCWCRCOOSA-GOSISDBHSA-N 0 2 413.524 3.703 20 0 HHADLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)oc1C ZINC000476433586 996904759 /nfs/dbraw/zinc/90/47/59/996904759.db2.gz VKLZXASSUVBBEF-UHFFFAOYSA-N 0 2 423.516 3.868 20 0 HHADLN C[C@H](CCc1ccccc1)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476438669 996910196 /nfs/dbraw/zinc/91/01/96/996910196.db2.gz RZJBMDYVLZFSPB-OAHLLOKOSA-N 0 2 415.540 3.695 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2nnc(-c3cccs3)o2)c1 ZINC000476440239 996911612 /nfs/dbraw/zinc/91/16/12/996911612.db2.gz VEERKDPAQPKTBT-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN Cc1cccc([C@@H](C)CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000476521864 997010327 /nfs/dbraw/zinc/01/03/27/997010327.db2.gz AYPOGUDTNGKETJ-HNNXBMFYSA-N 0 2 415.540 3.786 20 0 HHADLN CC(C)[C@@H]1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000476531697 997020363 /nfs/dbraw/zinc/02/03/63/997020363.db2.gz HKRZAWUHIYFBGM-HZPDHXFCSA-N 0 2 407.561 3.889 20 0 HHADLN C[C@@H]1CCC[C@@H](CCNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000476533599 997022653 /nfs/dbraw/zinc/02/26/53/997022653.db2.gz KTHOQKSBQGGAJU-CABCVRRESA-N 0 2 407.561 3.890 20 0 HHADLN CSc1ccc(N(C)C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000476540955 997032738 /nfs/dbraw/zinc/03/27/38/997032738.db2.gz FMSSSHFUDFBOGF-UHFFFAOYSA-N 0 2 419.553 3.942 20 0 HHADLN C[C@@H]1Cc2ccccc2N(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000476551230 997043587 /nfs/dbraw/zinc/04/35/87/997043587.db2.gz RLXVMBYBWWNSCB-CQSZACIVSA-N 0 2 413.524 3.783 20 0 HHADLN CC(C)[C@H](CNC(=O)[C@H](C(C)C)S(=O)(=O)C1CCCCC1)N1CCC(C)CC1 ZINC000484710012 997049039 /nfs/dbraw/zinc/04/90/39/997049039.db2.gz RWYZLXXPTVWOBD-SFTDATJTSA-N 0 2 414.656 3.631 20 0 HHADLN COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccccc1COC ZINC000484714039 997053539 /nfs/dbraw/zinc/05/35/39/997053539.db2.gz LDVHBWFROJAAGR-UHFFFAOYSA-N 0 2 419.421 3.678 20 0 HHADLN O=C(CCSc1ccc2c(c1)OCCO2)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000484809515 997165503 /nfs/dbraw/zinc/16/55/03/997165503.db2.gz RSKZPZQKGNICJC-UHFFFAOYSA-N 0 2 400.435 3.503 20 0 HHADLN O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476697380 997237331 /nfs/dbraw/zinc/23/73/31/997237331.db2.gz XFFYAGZEMAQLAI-IAGOWNOFSA-N 0 2 405.545 3.643 20 0 HHADLN CCC1CCC(N(C)C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 ZINC000476713449 997255593 /nfs/dbraw/zinc/25/55/93/997255593.db2.gz HDBAELPRSMVMOZ-UHFFFAOYSA-N 0 2 407.561 3.985 20 0 HHADLN Cc1onc(-c2ccccc2C)c1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000476717068 997262334 /nfs/dbraw/zinc/26/23/34/997262334.db2.gz MYFHQMAXTYKKSD-UHFFFAOYSA-N 0 2 403.442 3.586 20 0 HHADLN CCSc1cccc(F)c1NC(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 ZINC000484922555 997297584 /nfs/dbraw/zinc/29/75/84/997297584.db2.gz BPBVUPMJUNAUIR-UHFFFAOYSA-N 0 2 412.508 3.876 20 0 HHADLN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1c(F)cccc1F ZINC000476745171 997297705 /nfs/dbraw/zinc/29/77/05/997297705.db2.gz LOGQJNHALWJGDM-LLVKDONJSA-N 0 2 423.466 3.713 20 0 HHADLN CSc1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000476755656 997311837 /nfs/dbraw/zinc/31/18/37/997311837.db2.gz NAFFGJAYUFOMBE-UHFFFAOYSA-N 0 2 419.553 3.596 20 0 HHADLN C[C@@H](c1cccnc1)N(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485017937 997383141 /nfs/dbraw/zinc/38/31/41/997383141.db2.gz ZLHCFNCFOKSHAN-ZDUSSCGKSA-N 0 2 417.516 3.564 20 0 HHADLN COc1ccc(Cn2ncc(C)c2NS(=O)(=O)c2cc(C)cc(F)c2)cc1OC ZINC000476910252 997517554 /nfs/dbraw/zinc/51/75/54/997517554.db2.gz RUENBRAAJQXZOF-UHFFFAOYSA-N 0 2 419.478 3.505 20 0 HHADLN COCCOc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1F ZINC000485146660 997530105 /nfs/dbraw/zinc/53/01/05/997530105.db2.gz FYXGSRVOXBQFOA-UHFFFAOYSA-N 0 2 411.348 3.810 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccccc2)ns1)c1ccc(F)cc1C(F)(F)F ZINC000476937553 997552475 /nfs/dbraw/zinc/55/24/75/997552475.db2.gz GFQDOUUGIXWGAW-UHFFFAOYSA-N 0 2 403.382 3.586 20 0 HHADLN CO[C@@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000485174137 997554406 /nfs/dbraw/zinc/55/44/06/997554406.db2.gz PXZMYBVSXNLWDS-JTQLQIEISA-N 0 2 420.384 3.619 20 0 HHADLN C[C@@H]1CCCC[C@H]1N(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485357535 997781403 /nfs/dbraw/zinc/78/14/03/997781403.db2.gz MXNMYBQOKKRSCR-CZUORRHYSA-N 0 2 408.549 3.986 20 0 HHADLN CC[C@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC1 ZINC000485369265 997794574 /nfs/dbraw/zinc/79/45/74/997794574.db2.gz CQGULNYCXLSTHJ-AWEZNQCLSA-N 0 2 408.549 3.988 20 0 HHADLN COc1cccc(NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000485371147 997797482 /nfs/dbraw/zinc/79/74/82/997797482.db2.gz OZODKRBXNVFLCC-UHFFFAOYSA-N 0 2 404.473 3.597 20 0 HHADLN CC(C)C[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000485382245 997810722 /nfs/dbraw/zinc/81/07/22/997810722.db2.gz KWMLTLXDIFHOOE-AWEZNQCLSA-N 0 2 408.549 3.844 20 0 HHADLN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000485389228 997817713 /nfs/dbraw/zinc/81/77/13/997817713.db2.gz KGMZJOBWUAOQLT-UHFFFAOYSA-N 0 2 413.286 3.502 20 0 HHADLN COc1ccccc1Oc1ccc(NS(=O)(=O)c2c(Cl)cnn2C)cc1F ZINC000485398794 997828104 /nfs/dbraw/zinc/82/81/04/997828104.db2.gz MVVSQFZHCWIICQ-UHFFFAOYSA-N 0 2 411.842 3.814 20 0 HHADLN Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)cn2)n1 ZINC000485399596 997830455 /nfs/dbraw/zinc/83/04/55/997830455.db2.gz AEQLDXVUUDBHQY-UHFFFAOYSA-N 0 2 414.384 3.843 20 0 HHADLN CCOC(=O)COc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000485407494 997839170 /nfs/dbraw/zinc/83/91/70/997839170.db2.gz NRCASSMJPBTMND-UHFFFAOYSA-N 0 2 421.368 3.587 20 0 HHADLN Cc1ccc(C(=O)NC2CC2)cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000485440350 997881524 /nfs/dbraw/zinc/88/15/24/997881524.db2.gz PGHLVDSFJATVQQ-UHFFFAOYSA-N 0 2 416.396 3.846 20 0 HHADLN CCc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1 ZINC000485500247 997955662 /nfs/dbraw/zinc/95/56/62/997955662.db2.gz VORGJEUOKWAGSH-UHFFFAOYSA-N 0 2 417.512 3.524 20 0 HHADLN COc1cc(Cl)ccc1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485502326 997958554 /nfs/dbraw/zinc/95/85/54/997958554.db2.gz XZBQQTLJUZLVGL-UHFFFAOYSA-N 0 2 423.903 3.858 20 0 HHADLN CC(C)Cn1ncc(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c1C(C)C ZINC000477281939 997961506 /nfs/dbraw/zinc/96/15/06/997961506.db2.gz YOEIKYYUJQKKRZ-UHFFFAOYSA-N 0 2 420.457 3.799 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C3CCCCC3)nn2C)cc1Cl ZINC000477378411 998066079 /nfs/dbraw/zinc/06/60/79/998066079.db2.gz VWAVPPHHBRIUQU-UHFFFAOYSA-N 0 2 410.927 3.880 20 0 HHADLN CC1CCC(C)(CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 ZINC000477384906 998072214 /nfs/dbraw/zinc/07/22/14/998072214.db2.gz ZXZBIWQUEXVFCC-UHFFFAOYSA-N 0 2 407.561 3.890 20 0 HHADLN COc1cccc(Oc2ccc(CNC(=O)C3=NN(c4ccccc4)CC3=O)cn2)c1 ZINC000485783043 998255959 /nfs/dbraw/zinc/25/59/59/998255959.db2.gz IHVNGJPGRVSIDM-UHFFFAOYSA-N 0 2 416.437 3.704 20 0 HHADLN CC(C)c1c(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cnn1-c1ccccc1 ZINC000486085119 998533122 /nfs/dbraw/zinc/53/31/22/998533122.db2.gz IZGIEJGKTLOVKM-UHFFFAOYSA-N 0 2 408.483 3.638 20 0 HHADLN COc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c(OC2CCCC2)c1 ZINC000478003704 998709202 /nfs/dbraw/zinc/70/92/02/998709202.db2.gz PUDJUQIBLOQXQJ-UHFFFAOYSA-N 0 2 413.499 3.999 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)ccc1C ZINC000486557961 998824860 /nfs/dbraw/zinc/82/48/60/998824860.db2.gz IROVPTCDBYVOJO-UHFFFAOYSA-N 0 2 424.935 3.870 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(C(C)(C)c2ccccc2)o1 ZINC000486565595 998829224 /nfs/dbraw/zinc/82/92/24/998829224.db2.gz SQPCCJFIWPIPJT-UHFFFAOYSA-N 0 2 407.879 3.858 20 0 HHADLN COc1ccc(Br)c(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)c1 ZINC000478319039 998885077 /nfs/dbraw/zinc/88/50/77/998885077.db2.gz GNWWMYNOBHMZKZ-UHFFFAOYSA-N 0 2 409.190 3.773 20 0 HHADLN COC(=O)Cc1cccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 ZINC000478340904 998901233 /nfs/dbraw/zinc/90/12/33/998901233.db2.gz RCPKPNDHYNGBGS-UHFFFAOYSA-N 0 2 414.259 3.807 20 0 HHADLN CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000478462492 998972958 /nfs/dbraw/zinc/97/29/58/998972958.db2.gz SFXWEJPNQHVPFL-OAHLLOKOSA-N 0 2 407.561 3.842 20 0 HHADLN CN(Cc1ccc(Br)o1)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000478469873 998977053 /nfs/dbraw/zinc/97/70/53/998977053.db2.gz SPFZXOCASINSRU-UHFFFAOYSA-N 0 2 410.655 3.859 20 0 HHADLN C[C@H](NC(=O)C1=NN(c2ccccc2)CC1=O)[C@H](OC1CCOCC1)c1ccccc1 ZINC000486990481 999028983 /nfs/dbraw/zinc/02/89/83/999028983.db2.gz XFISMLJTNNGWIH-SBUREZEXSA-N 0 2 421.497 3.633 20 0 HHADLN COC(=O)c1ccc(OCc2ccccc2)c(NC(=O)c2ccc3[nH]nnc3c2)c1 ZINC000478609952 999045578 /nfs/dbraw/zinc/04/55/78/999045578.db2.gz LXNVDWMEAVOHBL-UHFFFAOYSA-N 0 2 402.410 3.576 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(-c4ccccc4Cl)[nH]n3)s[nH]2)c1 ZINC000478649123 999064543 /nfs/dbraw/zinc/06/45/43/999064543.db2.gz MZDDVJKMVOTQOV-UHFFFAOYSA-N 0 2 411.874 3.931 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)CCC(=O)c3ccc4c(c3)CCC4)s[nH]2)c1 ZINC000478673231 999081911 /nfs/dbraw/zinc/08/19/11/999081911.db2.gz XOMCORVGXNMGOB-UHFFFAOYSA-N 0 2 407.495 3.726 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000487579052 999217240 /nfs/dbraw/zinc/21/72/40/999217240.db2.gz YPXNFBDEBUAAFI-MOPGFXCFSA-N 0 2 405.502 3.909 20 0 HHADLN CC(C)Oc1cncc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c1 ZINC000487747122 999275474 /nfs/dbraw/zinc/27/54/74/999275474.db2.gz DSJLCCWHTHYEHA-UHFFFAOYSA-N 0 2 420.242 3.808 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1ccnn1C1CCCC1 ZINC000487751199 999276972 /nfs/dbraw/zinc/27/69/72/999276972.db2.gz NWPPSIQPGYCVKC-UHFFFAOYSA-N 0 2 419.258 3.937 20 0 HHADLN C[C@@H]1CCCN(Cc2csc(NS(=O)(=O)c3ccc4ncsc4c3)n2)C1 ZINC000479075455 999282394 /nfs/dbraw/zinc/28/23/94/999282394.db2.gz DSOYOUIOEWTAHB-GFCCVEGCSA-N 0 2 408.574 3.786 20 0 HHADLN COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc4c(cccc4Cl)s3)cc2)CC1 ZINC000479111784 999299763 /nfs/dbraw/zinc/29/97/63/999299763.db2.gz YWQRHGZWHAYAEJ-UHFFFAOYSA-N 0 2 422.915 3.955 20 0 HHADLN COCc1cccc(S(=O)(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c1 ZINC000479165838 999305365 /nfs/dbraw/zinc/30/53/65/999305365.db2.gz XOXRPPUGCUCHCO-UHFFFAOYSA-N 0 2 413.883 3.945 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2nnc(/C=C\c3ccco3)s2)cc1 ZINC000479245881 999344202 /nfs/dbraw/zinc/34/42/02/999344202.db2.gz MPTDPVIGCHWKIK-YFHOEESVSA-N 0 2 421.500 3.518 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cc(C)cc(Br)c2)c(OC)c1 ZINC000488260830 999414316 /nfs/dbraw/zinc/41/43/16/999414316.db2.gz DGEOJDOIVRJBBV-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cc(-c3ccncc3)ccc2C)c(OC)c1 ZINC000488298944 999428965 /nfs/dbraw/zinc/42/89/65/999428965.db2.gz WRVKVUGSCCIVEC-UHFFFAOYSA-N 0 2 414.483 3.884 20 0 HHADLN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(S(=O)(=O)c4ccccc4)s3)n2)o1 ZINC000479477651 999434356 /nfs/dbraw/zinc/43/43/56/999434356.db2.gz UARLFGGFXJFPQC-UHFFFAOYSA-N 0 2 414.468 3.520 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1cccc(C[S@@](=O)C(C)(C)C)c1 ZINC000479490375 999441410 /nfs/dbraw/zinc/44/14/10/999441410.db2.gz NEIKXCORDSYOJK-AREMUKBSSA-N 0 2 411.545 3.552 20 0 HHADLN CCOc1cc2c(cc1NS(=O)(=O)c1cccc3cc(C)cnc31)OCCO2 ZINC000488334464 999445350 /nfs/dbraw/zinc/44/53/50/999445350.db2.gz NHYRNUDOHOVHMK-UHFFFAOYSA-N 0 2 400.456 3.514 20 0 HHADLN CCCc1cnc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)s1 ZINC000488402618 999475992 /nfs/dbraw/zinc/47/59/92/999475992.db2.gz XZRZQZQCHMVTAD-GFCCVEGCSA-N 0 2 416.952 3.965 20 0 HHADLN CCCc1csc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)n1 ZINC000488417492 999481328 /nfs/dbraw/zinc/48/13/28/999481328.db2.gz DWHQHDAXFKVIAJ-GFCCVEGCSA-N 0 2 416.952 3.965 20 0 HHADLN CC(=O)Nc1cc(F)c(F)cc1NS(=O)(=O)c1cc(F)ccc1Br ZINC000488432056 999485244 /nfs/dbraw/zinc/48/52/44/999485244.db2.gz GMVONFAEDBHCCJ-UHFFFAOYSA-N 0 2 423.210 3.626 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(-c3ncc4n3CCCC4)cc2)c(F)c1 ZINC000479607328 999498263 /nfs/dbraw/zinc/49/82/63/999498263.db2.gz RUIXBFNLKBGOSY-UHFFFAOYSA-N 0 2 401.463 3.835 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)c(F)c1 ZINC000479623154 999506092 /nfs/dbraw/zinc/50/60/92/999506092.db2.gz WRSIOMUJDHNXFA-UHFFFAOYSA-N 0 2 404.467 3.513 20 0 HHADLN Cn1c2ccccc2nc1-c1ccc(NS(=O)(=O)c2cnn(CC(F)F)c2)cc1 ZINC000488563359 999528902 /nfs/dbraw/zinc/52/89/02/999528902.db2.gz JNKXXRQTKQEUEH-UHFFFAOYSA-N 0 2 417.441 3.503 20 0 HHADLN COc1ccc(NS(=O)(=O)c2c(OC)cc(OC)cc2OC)c(C(F)(F)F)c1 ZINC000488589160 999537816 /nfs/dbraw/zinc/53/78/16/999537816.db2.gz CCCHKERYVMOGNS-UHFFFAOYSA-N 0 2 421.393 3.541 20 0 HHADLN CCc1cccc(Cc2cnc(NS(=O)(=O)c3cnn(CC(F)F)c3)s2)c1 ZINC000488647015 999556923 /nfs/dbraw/zinc/55/69/23/999556923.db2.gz PCMWBVSSFSRPCC-UHFFFAOYSA-N 0 2 412.487 3.559 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N(Cc1c(F)cccc1F)C1CC1 ZINC000479752104 999572214 /nfs/dbraw/zinc/57/22/14/999572214.db2.gz IYSZMWZQWZDAJR-UHFFFAOYSA-N 0 2 413.428 3.536 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cs1 ZINC000479994242 999678554 /nfs/dbraw/zinc/67/85/54/999678554.db2.gz XRZCWCXCVCOIHU-UHFFFAOYSA-N 0 2 415.905 3.507 20 0 HHADLN COC[C@H](C)n1ccc(NS(=O)(=O)c2ccc(OCC3CCCCC3)cc2)n1 ZINC000489037914 999679265 /nfs/dbraw/zinc/67/92/65/999679265.db2.gz JEEVSPSEORUALQ-INIZCTEOSA-N 0 2 407.536 3.850 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)ccc1C ZINC000479998940 999680834 /nfs/dbraw/zinc/68/08/34/999680834.db2.gz WOSMKRYXCBMTTR-UHFFFAOYSA-N 0 2 422.919 3.926 20 0 HHADLN CC(C)CCOc1ccc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)cc1 ZINC000480019034 999688671 /nfs/dbraw/zinc/68/86/71/999688671.db2.gz QUGKHCPBCFEOGZ-UHFFFAOYSA-N 0 2 409.455 3.869 20 0 HHADLN O=C(NCCCc1n[nH]c(=O)[nH]1)[C@@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000480034890 999695333 /nfs/dbraw/zinc/69/53/33/999695333.db2.gz MDXPRVVLDQGVFJ-KRWDZBQOSA-N 0 2 420.897 3.885 20 0 HHADLN Cc1ccc(OCc2nc(NS(=O)(=O)c3ccc(Br)cc3)no2)cc1 ZINC000480097536 999716466 /nfs/dbraw/zinc/71/64/66/999716466.db2.gz MLKMQDQYXWBVRR-UHFFFAOYSA-N 0 2 424.276 3.520 20 0 HHADLN CCOC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000480102348 999717662 /nfs/dbraw/zinc/71/76/62/999717662.db2.gz CKDZCQISHSWGOL-UHFFFAOYSA-N 0 2 411.501 3.504 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccccc2NC23CC4CC(CC(C4)C2)C3)cnn1C ZINC000489216036 999724169 /nfs/dbraw/zinc/72/41/69/999724169.db2.gz GPMSPDLUSMMVDE-UHFFFAOYSA-N 0 2 400.548 3.910 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000480180006 999737990 /nfs/dbraw/zinc/73/79/90/999737990.db2.gz OZRPGOQTXBEQRC-CZUORRHYSA-N 0 2 418.881 3.759 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)c2cccs2)c(F)c1 ZINC000480196750 999742198 /nfs/dbraw/zinc/74/21/98/999742198.db2.gz QCJPPVIGYYKHQZ-UHFFFAOYSA-N 0 2 406.460 3.949 20 0 HHADLN O=S(=O)(Nc1noc(COc2ccc(F)cc2)n1)c1ccc(C(F)(F)F)cc1 ZINC000480207650 999745395 /nfs/dbraw/zinc/74/53/95/999745395.db2.gz ULAGHFRXVIHRHN-UHFFFAOYSA-N 0 2 417.340 3.607 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2cnn(-c3ccc(C)cc3)c2C(C)C)c1 ZINC000480218176 999748299 /nfs/dbraw/zinc/74/82/99/999748299.db2.gz NYTHWOZGFREXHZ-UHFFFAOYSA-N 0 2 413.499 3.892 20 0 HHADLN CCc1c(NS(=O)(=O)c2c(C)nn(CC)c2C)cnn1-c1ccc(Cl)cc1 ZINC000480233588 999752336 /nfs/dbraw/zinc/75/23/36/999752336.db2.gz ZAEXKCDXBVYUHT-UHFFFAOYSA-N 0 2 407.927 3.722 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cnn1-c1cccc(Cl)c1 ZINC000480240041 999753809 /nfs/dbraw/zinc/75/38/09/999753809.db2.gz HCKZBIWPORLDQJ-UHFFFAOYSA-N 0 2 418.862 3.736 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(C(=O)OC)cc2)cnn1-c1cccc(Cl)c1 ZINC000480241146 999754189 /nfs/dbraw/zinc/75/41/89/999754189.db2.gz LVFWONNATBVMHY-UHFFFAOYSA-N 0 2 419.890 3.676 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)cnn1-c1cccc(C)c1 ZINC000480246974 999755438 /nfs/dbraw/zinc/75/54/38/999755438.db2.gz LLWYJADOFUGNHV-UHFFFAOYSA-N 0 2 401.488 3.561 20 0 HHADLN CC[C@@H](NC(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O)c1nnc2n1CCCCC2 ZINC000489648751 999809823 /nfs/dbraw/zinc/80/98/23/999809823.db2.gz FBWUBCREVMRNFL-GOSISDBHSA-N 0 2 422.533 3.900 20 0 HHADLN CCN(C)S(=O)(=O)c1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000480583998 999832733 /nfs/dbraw/zinc/83/27/33/999832733.db2.gz RHEQKCKWMSCAPO-UHFFFAOYSA-N 0 2 403.287 3.592 20 0 HHADLN Cc1ccc2c(n1)[nH]cc(C(=O)NC1CCN(c3nc4ccccc4s3)CC1)c2=O ZINC000490013691 999877710 /nfs/dbraw/zinc/87/77/10/999877710.db2.gz XCKHFAJOZBUNQB-UHFFFAOYSA-N 0 2 419.510 3.652 20 0 HHADLN Cc1cc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)c(C)c1 ZINC000490015843 999878063 /nfs/dbraw/zinc/87/80/63/999878063.db2.gz WNTYUCKRTMULJJ-UHFFFAOYSA-N 0 2 402.501 3.516 20 0 HHADLN Cc1ccc([C@H]2C[C@@H](C)[N@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000490046388 999884413 /nfs/dbraw/zinc/88/44/13/999884413.db2.gz VPAGYRFYXXQAJX-OFNKIYASSA-N 0 2 407.558 3.644 20 0 HHADLN O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1)c1csc(-c2cnccn2)n1 ZINC000490582229 999980093 /nfs/dbraw/zinc/98/00/93/999980093.db2.gz FMAXUKQNGZCTOU-UHFFFAOYSA-N 0 2 417.376 3.656 20 0 HHADLN Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000491497519 1000079341 /nfs/dbraw/zinc/07/93/41/1000079341.db2.gz XYIWIZRNNXUXQX-UHFFFAOYSA-N 0 2 407.499 3.535 20 0 HHADLN Cn1ncc(NS(=O)(=O)c2cccc(Cl)c2Br)c1C(F)(F)F ZINC000491609082 1000090012 /nfs/dbraw/zinc/09/00/12/1000090012.db2.gz DONHGTSKFXWGPP-UHFFFAOYSA-N 0 2 418.622 3.656 20 0 HHADLN CN(C)c1cccc(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)c1 ZINC000493059962 1000155964 /nfs/dbraw/zinc/15/59/64/1000155964.db2.gz VDQLZOFNNBLEFG-UHFFFAOYSA-N 0 2 402.545 3.731 20 0 HHADLN CN(C)c1cccc(S(=O)(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c1 ZINC000493355198 1000170225 /nfs/dbraw/zinc/17/02/25/1000170225.db2.gz CTNHMIPELHLKHM-UHFFFAOYSA-N 0 2 412.899 3.864 20 0 HHADLN O=S(=O)(Nc1ccc(-c2nnc3n2CCC3)cc1)c1c(Cl)cccc1Cl ZINC000504515566 1000245154 /nfs/dbraw/zinc/24/51/54/1000245154.db2.gz ZVKFJTLBJUQJQV-UHFFFAOYSA-N 0 2 409.298 3.999 20 0 HHADLN COCc1csc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)n1 ZINC000504547241 1000263012 /nfs/dbraw/zinc/26/30/12/1000263012.db2.gz KIBBOYVVIDQGGK-UHFFFAOYSA-N 0 2 415.693 3.645 20 0 HHADLN COc1cccc(NC(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)c1O ZINC000494092584 1000304728 /nfs/dbraw/zinc/30/47/28/1000304728.db2.gz PGVKZEDAVKMAOK-UHFFFAOYSA-N 0 2 418.496 3.824 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N(C)Cc2ccc(O)cc2)cc1 ZINC000504669927 1000317969 /nfs/dbraw/zinc/31/79/69/1000317969.db2.gz OXGDRXSRAOFERD-UHFFFAOYSA-N 0 2 416.524 3.835 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC000505072559 1000536442 /nfs/dbraw/zinc/53/64/42/1000536442.db2.gz ZAZQEVMPPDVILA-IQUTYRLHSA-N 0 2 406.479 3.687 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)s1 ZINC000505273437 1000661678 /nfs/dbraw/zinc/66/16/78/1000661678.db2.gz KBRALVLRSNRGOD-UHFFFAOYSA-N 0 2 413.524 3.709 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)cc1 ZINC000505274880 1000663023 /nfs/dbraw/zinc/66/30/23/1000663023.db2.gz PJYASLMOFNHIAV-UHFFFAOYSA-N 0 2 423.796 3.869 20 0 HHADLN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000505288307 1000673808 /nfs/dbraw/zinc/67/38/08/1000673808.db2.gz UYTPJOUZIWPOBM-UHFFFAOYSA-N 0 2 423.796 3.869 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)cc1F ZINC000505298972 1000682580 /nfs/dbraw/zinc/68/25/80/1000682580.db2.gz FXSPODXGJDAINO-UHFFFAOYSA-N 0 2 415.368 3.840 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NCCc2ccc(-c3csc(C)n3)s2)cn1 ZINC000494900586 1000720343 /nfs/dbraw/zinc/72/03/43/1000720343.db2.gz KJCRYBDNOITOCE-UHFFFAOYSA-N 0 2 412.544 3.759 20 0 HHADLN Cc1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc(C)c1F ZINC000495404266 1001000721 /nfs/dbraw/zinc/00/07/21/1001000721.db2.gz JLDDTPDTAYQKBY-UHFFFAOYSA-N 0 2 405.476 3.952 20 0 HHADLN CC(C)(C)CC(=O)NCC(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000505752378 1001006440 /nfs/dbraw/zinc/00/64/40/1001006440.db2.gz DPWYWDJTMAPFBV-UHFFFAOYSA-N 0 2 424.526 3.910 20 0 HHADLN O=C(N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)c1n[nH]c2c1CCC2 ZINC000505757393 1001008729 /nfs/dbraw/zinc/00/87/29/1001008729.db2.gz GVUMGHWWORGGFA-UHFFFAOYSA-N 0 2 403.467 3.883 20 0 HHADLN COc1cc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)cc(Br)c1OC ZINC000497083790 1001266925 /nfs/dbraw/zinc/26/69/25/1001266925.db2.gz WWEKEBXWZRTPDB-UHFFFAOYSA-N 0 2 421.226 3.643 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(Oc2ccncc2)cc1 ZINC000497229269 1001283099 /nfs/dbraw/zinc/28/30/99/1001283099.db2.gz NUUDGOIVQIEHNZ-UHFFFAOYSA-N 0 2 402.428 3.671 20 0 HHADLN Cc1cnn(C)c1S(=O)(=O)Nc1ccc(F)cc1-c1nc2ccccc2s1 ZINC000506600906 1001468075 /nfs/dbraw/zinc/46/80/75/1001468075.db2.gz IBFYXKOEYFASHH-UHFFFAOYSA-N 0 2 402.476 3.945 20 0 HHADLN Cc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2ccoc2)c(C(F)(F)F)c1 ZINC000506708856 1001500967 /nfs/dbraw/zinc/50/09/67/1001500967.db2.gz XAAQBIQUSCIUAI-UHFFFAOYSA-N 0 2 415.349 3.648 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(C2CC2)cs1 ZINC000506806015 1001539817 /nfs/dbraw/zinc/53/98/17/1001539817.db2.gz NCWBWOXNAAHLQH-UHFFFAOYSA-N 0 2 407.300 3.915 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc3c(s2)CCCCCC3)c1 ZINC000506833863 1001556340 /nfs/dbraw/zinc/55/63/40/1001556340.db2.gz JJYNMRJVFVVJQA-UHFFFAOYSA-N 0 2 408.545 3.709 20 0 HHADLN CCCc1csc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)n1 ZINC000506833816 1001556374 /nfs/dbraw/zinc/55/63/74/1001556374.db2.gz IWRYBFKYJQGMOG-UHFFFAOYSA-N 0 2 409.316 3.990 20 0 HHADLN CC(C)(C)S(=O)(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000497912782 1001562816 /nfs/dbraw/zinc/56/28/16/1001562816.db2.gz GJAUEXYEKAMGFZ-UHFFFAOYSA-N 0 2 421.462 3.618 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)c1 ZINC000506849192 1001563751 /nfs/dbraw/zinc/56/37/51/1001563751.db2.gz PUJZDWYCAMFIPP-UHFFFAOYSA-N 0 2 422.503 3.829 20 0 HHADLN O=C(NCCc1cc(C(F)(F)F)ccn1)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000506861587 1001570469 /nfs/dbraw/zinc/57/04/69/1001570469.db2.gz ZQDQQTWQJLBGOO-UHFFFAOYSA-N 0 2 410.783 3.618 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ncc(C(F)(F)F)[nH]3)c2)cc1 ZINC000507027836 1001771102 /nfs/dbraw/zinc/77/11/02/1001771102.db2.gz PBRQNIUSXSPWNH-UHFFFAOYSA-N 0 2 424.404 3.790 20 0 HHADLN CCCn1nccc1C1CCN(C(=O)C2=NN(c3ccccc3CC)CC2=O)CC1 ZINC000507159950 1001848547 /nfs/dbraw/zinc/84/85/47/1001848547.db2.gz DLWRGPBSJKZKKW-UHFFFAOYSA-N 0 2 407.518 3.767 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1nc2c(ccc3c2CCCC3)s1 ZINC000507305296 1001986258 /nfs/dbraw/zinc/98/62/58/1001986258.db2.gz QZAVMHQERKALKC-UHFFFAOYSA-N 0 2 420.512 3.972 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2nc3c(ccc4c3CCCC4)s2)c1 ZINC000507306566 1001987167 /nfs/dbraw/zinc/98/71/67/1001987167.db2.gz VDBKEBFUHPDOTE-UHFFFAOYSA-N 0 2 402.497 3.763 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2ccc(F)c(C(C)=O)c2)cn1 ZINC000507581900 1002186916 /nfs/dbraw/zinc/18/69/16/1002186916.db2.gz LDRWMGGSAMKHEB-UHFFFAOYSA-N 0 2 423.853 3.677 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1nnc(Cc2ccc3ccccc3c2)n1C ZINC000507816169 1002362741 /nfs/dbraw/zinc/36/27/41/1002362741.db2.gz ULXHTDJHFHANQB-UHFFFAOYSA-N 0 2 416.510 3.906 20 0 HHADLN CCOCCOc1ccc(Br)cc1NS(=O)(=O)c1ccsc1 ZINC000507919505 1002453449 /nfs/dbraw/zinc/45/34/49/1002453449.db2.gz JXDBUHDQWWJRHE-UHFFFAOYSA-N 0 2 406.323 3.727 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(F)c(OC)c1 ZINC000507933154 1002467183 /nfs/dbraw/zinc/46/71/83/1002467183.db2.gz BEDCYWGQKGYDCK-UHFFFAOYSA-N 0 2 408.234 3.729 20 0 HHADLN C[C@@H](Cc1ccc(Br)cc1)C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000499106769 1002498860 /nfs/dbraw/zinc/49/88/60/1002498860.db2.gz OARCBLVFGVCBLE-NSHDSACASA-N 0 2 403.305 3.602 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc(-c4nccs4)cc3)cnc2c1Cl ZINC000499159466 1002544350 /nfs/dbraw/zinc/54/43/50/1002544350.db2.gz CUJDLCMEQISKAY-UHFFFAOYSA-N 0 2 405.892 3.615 20 0 HHADLN CCOc1cc(F)ccc1NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000499181167 1002570475 /nfs/dbraw/zinc/57/04/75/1002570475.db2.gz UUOTWKKAEBWXRT-UHFFFAOYSA-N 0 2 417.300 3.854 20 0 HHADLN O=C1Nc2ccc(S(=O)(=O)Nc3ncc(-c4cccnc4)s3)c3cccc1c23 ZINC000508068211 1002589259 /nfs/dbraw/zinc/58/92/59/1002589259.db2.gz NGUHSODBSNHEJI-UHFFFAOYSA-N 0 2 408.464 3.725 20 0 HHADLN CSc1ccccc1S(=O)(=O)Nc1nnc(-c2cccc(OC(F)F)c2)o1 ZINC000508081258 1002602165 /nfs/dbraw/zinc/60/21/65/1002602165.db2.gz CDALDSJKZDSRPS-UHFFFAOYSA-N 0 2 413.427 3.861 20 0 HHADLN Cc1cc(Br)cc(C)c1S(=O)(=O)[N-]c1ccc(Cn2cc[nH+]c2)cn1 ZINC000508082129 1002602749 /nfs/dbraw/zinc/60/27/49/1002602749.db2.gz GJFWRTUFUKGYFI-UHFFFAOYSA-N 0 2 421.320 3.507 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(F)(F)F)c(OC)c1 ZINC000508085483 1002607362 /nfs/dbraw/zinc/60/73/62/1002607362.db2.gz POOZOUWOXCEMHQ-UHFFFAOYSA-N 0 2 423.796 3.955 20 0 HHADLN O=S(=O)(Nc1nc2c(cccc2Br)s1)c1ccc2c(c1)OCO2 ZINC000508088284 1002611201 /nfs/dbraw/zinc/61/12/01/1002611201.db2.gz ZPDXXGHLPNKFRE-UHFFFAOYSA-N 0 2 413.274 3.588 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)F)c2)o1)c1ccc2c(c1)CCC2 ZINC000508092682 1002616258 /nfs/dbraw/zinc/61/62/58/1002616258.db2.gz ATJAMSPYSFEGLL-UHFFFAOYSA-N 0 2 407.398 3.628 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)o2)c1 ZINC000508099540 1002624749 /nfs/dbraw/zinc/62/47/49/1002624749.db2.gz UZJBVXKCFXAIJA-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nc3c(s2)CSCC3)cc1OCC ZINC000508101953 1002626423 /nfs/dbraw/zinc/62/64/23/1002626423.db2.gz JWAYBMAJCLZTGR-UHFFFAOYSA-N 0 2 400.547 3.531 20 0 HHADLN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1ccc(CC(F)(F)F)cc1 ZINC000508108635 1002634728 /nfs/dbraw/zinc/63/47/28/1002634728.db2.gz FFHVFLPLHWOJMD-UHFFFAOYSA-N 0 2 406.451 3.943 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3ncc(-c4ccccn4)s3)cc2F)c1 ZINC000508114561 1002644134 /nfs/dbraw/zinc/64/41/34/1002644134.db2.gz DOYVICOQKFGHHJ-UHFFFAOYSA-N 0 2 415.475 3.639 20 0 HHADLN COCc1cnc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)s1 ZINC000508117085 1002646355 /nfs/dbraw/zinc/64/63/55/1002646355.db2.gz MHOJRKASAPLLOY-UHFFFAOYSA-N 0 2 415.693 3.645 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(Br)c2)o1)c1cccc(Cl)c1 ZINC000508126698 1002656306 /nfs/dbraw/zinc/65/63/06/1002656306.db2.gz FRHDMVZVHPSAED-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN Cc1cc(F)cc(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)o2)c1 ZINC000508127683 1002658462 /nfs/dbraw/zinc/65/84/62/1002658462.db2.gz JVEBCUGXOZEZJB-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1nc2c(s1)CSCC2 ZINC000508127452 1002658555 /nfs/dbraw/zinc/65/85/55/1002658555.db2.gz JBVGVRBZTFHQFL-UHFFFAOYSA-N 0 2 423.354 3.943 20 0 HHADLN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2ccc(C(F)(F)F)nc2)c1 ZINC000499267983 1002672536 /nfs/dbraw/zinc/67/25/36/1002672536.db2.gz REPCCYYIEJNXTH-UHFFFAOYSA-N 0 2 424.242 3.730 20 0 HHADLN Cn1nccc1S(=O)(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 ZINC000499275966 1002683288 /nfs/dbraw/zinc/68/32/88/1002683288.db2.gz QWXOYKGCTPLSSV-UHFFFAOYSA-N 0 2 416.356 3.566 20 0 HHADLN COC(=O)c1nccc2c1cccc2S(=O)(=O)Nc1cc(F)ccc1OC(C)C ZINC000499283427 1002694057 /nfs/dbraw/zinc/69/40/57/1002694057.db2.gz NEHJDXJEZCMBKS-UHFFFAOYSA-N 0 2 418.446 3.749 20 0 HHADLN CC(C)(C)c1nc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)no1 ZINC000508179915 1002715943 /nfs/dbraw/zinc/71/59/43/1002715943.db2.gz KXQGJQJFSWEQIC-UHFFFAOYSA-N 0 2 412.668 3.723 20 0 HHADLN O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccoc1 ZINC000508191392 1002725980 /nfs/dbraw/zinc/72/59/80/1002725980.db2.gz BVYOWONQSPDGGX-UHFFFAOYSA-N 0 2 412.876 3.535 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nnc(C[C@H](C)CC(C)(C)C)o2)c1 ZINC000508205147 1002739093 /nfs/dbraw/zinc/73/90/93/1002739093.db2.gz LVOYXOXAAMBRJU-AWEZNQCLSA-N 0 2 423.535 3.591 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ncc(-c3ccccc3F)s2)c1 ZINC000508235702 1002761785 /nfs/dbraw/zinc/76/17/85/1002761785.db2.gz LVEZFWCOBIVIJA-UHFFFAOYSA-N 0 2 408.476 3.905 20 0 HHADLN Cc1cn(-c2ccc(Cl)cc2)nc1NS(=O)(=O)CCOc1ccc(F)cc1 ZINC000499493185 1002881500 /nfs/dbraw/zinc/88/15/00/1002881500.db2.gz GVDPPMUEXRKDEG-UHFFFAOYSA-N 0 2 409.870 3.794 20 0 HHADLN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)C2=NN(c3ccc(F)cc3)CC2=O)c1 ZINC000499630273 1002996909 /nfs/dbraw/zinc/99/69/09/1002996909.db2.gz GZTPEOBHBRDXIE-CQSZACIVSA-N 0 2 410.449 3.632 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC[C@H]3c3cc(OC)ccc3OC)=N2)cc1 ZINC000499716590 1003065628 /nfs/dbraw/zinc/06/56/28/1003065628.db2.gz ZWQYCSIPJVAOAR-IBGZPJMESA-N 0 2 423.469 3.581 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCn4cccc4[C@H]3c3ccccc3)=N2)cc1 ZINC000499782978 1003119491 /nfs/dbraw/zinc/11/94/91/1003119491.db2.gz ROUJLLAHTNIGCT-HSZRJFAPSA-N 0 2 414.465 3.633 20 0 HHADLN C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3nn(-c4ccc(F)cc4)cc3[O-])n2)C1 ZINC000499867836 1003204209 /nfs/dbraw/zinc/20/42/09/1003204209.db2.gz GXPGPNOXEWIDOT-ZDUSSCGKSA-N 0 2 415.494 3.658 20 0 HHADLN C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3nn(-c4ccc(F)cc4)cc3[O-])n2)C1 ZINC000499867836 1003204215 /nfs/dbraw/zinc/20/42/15/1003204215.db2.gz GXPGPNOXEWIDOT-ZDUSSCGKSA-N 0 2 415.494 3.658 20 0 HHADLN O=S(=O)(Nc1nnc(C(F)(F)F)s1)c1c(Cl)cccc1Br ZINC000509206189 1003623864 /nfs/dbraw/zinc/62/38/64/1003623864.db2.gz UPWKKSPJWYHAAQ-UHFFFAOYSA-N 0 2 422.635 3.774 20 0 HHADLN CCc1nc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C)sc1C(=O)OC ZINC000509208825 1003624939 /nfs/dbraw/zinc/62/49/39/1003624939.db2.gz GEIKUTOJPWJBDH-UHFFFAOYSA-N 0 2 408.423 3.620 20 0 HHADLN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cc(C2CC2)nn1-c1ncccn1 ZINC000509221406 1003634234 /nfs/dbraw/zinc/63/42/34/1003634234.db2.gz ABTOXDRUVHYJMM-UHFFFAOYSA-N 0 2 423.420 3.668 20 0 HHADLN CC(C)CCc1nnc(NS(=O)(=O)c2ccc(Cl)cc2Br)o1 ZINC000500494591 1003746992 /nfs/dbraw/zinc/74/69/92/1003746992.db2.gz GZZBQVCYQYFXJX-UHFFFAOYSA-N 0 2 408.705 3.875 20 0 HHADLN CCSc1nnc(NS(=O)(=O)c2ccc(Cl)cc2Br)s1 ZINC000500498974 1003748510 /nfs/dbraw/zinc/74/85/10/1003748510.db2.gz OUVJHDYGZGRDAK-UHFFFAOYSA-N 0 2 414.759 3.867 20 0 HHADLN CC(C)OC(=O)C[C@H](NS(=O)(=O)c1c(F)c(F)cc(F)c1F)c1ccccc1 ZINC000509400349 1003832686 /nfs/dbraw/zinc/83/26/86/1003832686.db2.gz LJGBZOMDWVCWQI-AWEZNQCLSA-N 0 2 419.396 3.604 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-n2nc(C)cc2C)c1 ZINC000509544293 1003935806 /nfs/dbraw/zinc/93/58/06/1003935806.db2.gz WJPAEASITVPXCW-UHFFFAOYSA-N 0 2 419.890 3.730 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(-c3ccc(Br)cc3)cc2)n(C)n1 ZINC000500862814 1004010399 /nfs/dbraw/zinc/01/03/99/1004010399.db2.gz LLPFMFINZWFDRK-UHFFFAOYSA-N 0 2 406.305 3.959 20 0 HHADLN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)c3c[nH]c4c(cnn4C)c3=O)s2)cc1 ZINC000512091461 1004016563 /nfs/dbraw/zinc/01/65/63/1004016563.db2.gz RLUXYILEWCOLPB-NSHDSACASA-N 0 2 423.498 3.605 20 0 HHADLN O=S(=O)(Nc1nc2c(ccc(F)c2F)s1)c1cc2c(cc1Cl)OCCO2 ZINC000500877247 1004022340 /nfs/dbraw/zinc/02/23/40/1004022340.db2.gz VBQDOLHBEKCQLD-UHFFFAOYSA-N 0 2 418.830 3.800 20 0 HHADLN COCCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000512160564 1004066961 /nfs/dbraw/zinc/06/69/61/1004066961.db2.gz QRTASVSRFNMREF-UHFFFAOYSA-N 0 2 403.287 3.634 20 0 HHADLN C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000512175835 1004077768 /nfs/dbraw/zinc/07/77/68/1004077768.db2.gz RJUSYCJKECRFAU-KSFYIVLOSA-N 0 2 412.493 3.893 20 0 HHADLN CO[C@@H](C)c1nc(C)c(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)s1 ZINC000512286720 1004189011 /nfs/dbraw/zinc/18/90/11/1004189011.db2.gz DPKQOFGDDOAZQN-VIFPVBQESA-N 0 2 422.308 3.959 20 0 HHADLN CCC1(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)CCN(C(=O)c2ccccc2)CC1 ZINC000512290239 1004193001 /nfs/dbraw/zinc/19/30/01/1004193001.db2.gz XYKJAOMNDKXIRL-UHFFFAOYSA-N 0 2 421.476 3.882 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)c2cccc(F)c2F)c(F)c1Cl ZINC000501152044 1004238191 /nfs/dbraw/zinc/23/81/91/1004238191.db2.gz BPCAJGGDIHICNA-ZETCQYMHSA-N 0 2 424.803 3.894 20 0 HHADLN COc1cccc(-c2nsc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)n2)c1 ZINC000512362880 1004248264 /nfs/dbraw/zinc/24/82/64/1004248264.db2.gz NFWLTEKTXXHJEX-UHFFFAOYSA-N 0 2 416.311 3.743 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cn(-c3ccccc3)nc2C)cc1Br ZINC000510103668 1004326573 /nfs/dbraw/zinc/32/65/73/1004326573.db2.gz RXMUGRQUWINTBJ-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)NCc3cc(COC(C)(C)C)on3)=N2)c1 ZINC000501370746 1004372506 /nfs/dbraw/zinc/37/25/06/1004372506.db2.gz IUFQNBRFHUQOLS-UHFFFAOYSA-N 0 2 412.490 3.934 20 0 HHADLN CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@H](c4n[nH]c(=O)[nH]4)C3)c12 ZINC000510282111 1004448361 /nfs/dbraw/zinc/44/83/61/1004448361.db2.gz NJUWUNCUJQYPFB-ZDUSSCGKSA-N 0 2 424.505 3.532 20 0 HHADLN CC(=O)c1ccc(Oc2ccc(C(=O)N3CCC[C@H](c4n[nH]c(=O)[nH]4)C3)cc2)cc1 ZINC000510283632 1004448937 /nfs/dbraw/zinc/44/89/37/1004448937.db2.gz VQESHWNNYLTWHD-KRWDZBQOSA-N 0 2 406.442 3.525 20 0 HHADLN CC(=O)c1ccc(Oc2ccc(C(=O)N3CCC[C@@H](c4n[nH]c(=O)[nH]4)C3)cc2)cc1 ZINC000510283633 1004449182 /nfs/dbraw/zinc/44/91/82/1004449182.db2.gz VQESHWNNYLTWHD-QGZVFWFLSA-N 0 2 406.442 3.525 20 0 HHADLN O=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510298866 1004461456 /nfs/dbraw/zinc/46/14/56/1004461456.db2.gz QNGQAGJWKHNWTJ-CQSZACIVSA-N 0 2 421.482 3.914 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)CCN3C(N)=O)c1Cl ZINC000512731048 1004523794 /nfs/dbraw/zinc/52/37/94/1004523794.db2.gz WAJNSALKHUJLLN-UHFFFAOYSA-N 0 2 400.287 3.544 20 0 HHADLN CCOc1ccc(OC)cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000512781625 1004556716 /nfs/dbraw/zinc/55/67/16/1004556716.db2.gz UZRKDEMLIFXWMM-UHFFFAOYSA-N 0 2 412.467 3.638 20 0 HHADLN O=C(Cc1ccc(NS(=O)(=O)c2ccccc2F)cc1)N1CCc2ccccc21 ZINC000501819638 1004757061 /nfs/dbraw/zinc/75/70/61/1004757061.db2.gz HNFLBCBZOKVDIT-UHFFFAOYSA-N 0 2 410.470 3.758 20 0 HHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000501991669 1004850806 /nfs/dbraw/zinc/85/08/06/1004850806.db2.gz VFJLDJHPIAHMMQ-GFCCVEGCSA-N 0 2 421.327 3.552 20 0 HHADLN CCOC(=O)c1n[nH]c(C2CCN(Cc3ccc(Sc4ccccn4)o3)CC2)n1 ZINC000513277605 1004891828 /nfs/dbraw/zinc/89/18/28/1004891828.db2.gz YVHQZEFQJQLUAH-UHFFFAOYSA-N 0 2 413.503 3.500 20 0 HHADLN CSc1nc2nc(C)c(CC(=O)Nc3cc(Cl)c(O)c(Cl)c3)c(C)n2n1 ZINC000502083436 1004894894 /nfs/dbraw/zinc/89/48/94/1004894894.db2.gz SIWLTMMGCCUOBL-UHFFFAOYSA-N 0 2 412.302 3.657 20 0 HHADLN CC(C)(C)c1nc(NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)no1 ZINC000502441477 1005077393 /nfs/dbraw/zinc/07/73/93/1005077393.db2.gz MWDBSHNBPQQRCL-UHFFFAOYSA-N 0 2 411.430 3.965 20 0 HHADLN NC(=O)Nc1cccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)c1 ZINC000502445468 1005078567 /nfs/dbraw/zinc/07/85/67/1005078567.db2.gz TXCCWKSBMPUYTK-UHFFFAOYSA-N 0 2 422.663 3.533 20 0 HHADLN CN1c2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)ccn3)c3cccc(c23)C1=O ZINC000502496488 1005092490 /nfs/dbraw/zinc/09/24/90/1005092490.db2.gz VFWWTTHSKBJYPW-UHFFFAOYSA-N 0 2 407.373 3.644 20 0 HHADLN COC(=O)c1ccc(-n2cc(C)cn2)c(NS(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000513818470 1005142930 /nfs/dbraw/zinc/14/29/30/1005142930.db2.gz CUUQIAJTHWUDGY-UHFFFAOYSA-N 0 2 423.853 3.561 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1cccnc1OC(C)C ZINC000502812887 1005228035 /nfs/dbraw/zinc/22/80/35/1005228035.db2.gz SUXRJVVPYLATML-UHFFFAOYSA-N 0 2 419.272 3.580 20 0 HHADLN CCCN(C(=O)N=c1nc(C(C)(C)C)[nH]s1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000503101598 1005347563 /nfs/dbraw/zinc/34/75/63/1005347563.db2.gz VRLKUMASBJIFRX-AWEZNQCLSA-N 0 2 403.552 3.919 20 0 HHADLN CSc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000503209879 1005369218 /nfs/dbraw/zinc/36/92/18/1005369218.db2.gz VOBINXKNIJWWFR-KRWDZBQOSA-N 0 2 400.529 3.719 20 0 HHADLN Cc1cc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)nn1-c1ccc(F)cc1F ZINC000503684070 1005480237 /nfs/dbraw/zinc/48/02/37/1005480237.db2.gz XGPKKDNCRCCXBY-UHFFFAOYSA-N 0 2 403.439 3.713 20 0 HHADLN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)N=c2nc(-c3ccccc3)[nH]s2)c1 ZINC000503952512 1005518137 /nfs/dbraw/zinc/51/81/37/1005518137.db2.gz JXQQDCKZAVVNAA-UHFFFAOYSA-N 0 2 401.879 3.626 20 0 HHADLN CCOc1ncccc1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000504274432 1005587441 /nfs/dbraw/zinc/58/74/41/1005587441.db2.gz JUEBFRLYKIVVBP-UHFFFAOYSA-N 0 2 409.664 3.836 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cc(N2CCCC2=O)ccc1Cl ZINC000534086511 1006059831 /nfs/dbraw/zinc/05/98/31/1006059831.db2.gz UTVADTUVILSYIX-UHFFFAOYSA-N 0 2 417.803 3.782 20 0 HHADLN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cccc2ccncc21 ZINC000531527215 1006256096 /nfs/dbraw/zinc/25/60/96/1006256096.db2.gz DGSUGYUERNSAJY-UHFFFAOYSA-N 0 2 410.373 3.841 20 0 HHADLN Cc1ccsc1Cn1nccc1NS(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000515100628 1006290628 /nfs/dbraw/zinc/29/06/28/1006290628.db2.gz HPCWZTFTOZOUDS-UHFFFAOYSA-N 0 2 401.513 3.621 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)cc1Cl ZINC000515331217 1006403012 /nfs/dbraw/zinc/40/30/12/1006403012.db2.gz NQCQXKUVOABMHL-UHFFFAOYSA-N 0 2 411.867 3.989 20 0 HHADLN Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000531776087 1006416076 /nfs/dbraw/zinc/41/60/76/1006416076.db2.gz RIRRYRVKZSXKMT-UHFFFAOYSA-N 0 2 410.499 3.520 20 0 HHADLN COc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)c(C)n1 ZINC000531848703 1006468776 /nfs/dbraw/zinc/46/87/76/1006468776.db2.gz RRZRRQUKOQPPJK-UHFFFAOYSA-N 0 2 417.512 3.822 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1ccc(OC(F)(F)F)cc1 ZINC000531857281 1006478593 /nfs/dbraw/zinc/47/85/93/1006478593.db2.gz DBZSBBSVRPTXFR-UHFFFAOYSA-N 0 2 407.420 3.966 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCc3ccc(C(C)=O)cc3CC2)=N1 ZINC000534494382 1006492047 /nfs/dbraw/zinc/49/20/47/1006492047.db2.gz MKNKITVOHLCDKI-UHFFFAOYSA-N 0 2 403.482 3.584 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cccc3cccnc32)nc1C(C)C ZINC000534497327 1006495625 /nfs/dbraw/zinc/49/56/25/1006495625.db2.gz AKLADNOBIGBZJL-UHFFFAOYSA-N 0 2 405.501 3.792 20 0 HHADLN CC(C)[C@@H](CNC(=O)CSc1nc(=O)cc(O)n1C1CCCC1)c1ccccc1 ZINC000515566496 1006540328 /nfs/dbraw/zinc/54/03/28/1006540328.db2.gz SEMAATVMTWNJID-GOSISDBHSA-N 0 2 415.559 3.712 20 0 HHADLN COC(=O)c1cc(Br)cc(S(=O)(=O)Nc2cncc3ccccc32)c1 ZINC000534673403 1006650664 /nfs/dbraw/zinc/65/06/64/1006650664.db2.gz NQOBNVOASLJJRO-UHFFFAOYSA-N 0 2 421.272 3.585 20 0 HHADLN O=C(NCc1cc2ccccc2o1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000532155856 1006679649 /nfs/dbraw/zinc/67/96/49/1006679649.db2.gz BPCUWISEPOQVIL-UHFFFAOYSA-N 0 2 413.480 3.620 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)c(C)o1 ZINC000538448505 1006715803 /nfs/dbraw/zinc/71/58/03/1006715803.db2.gz VFDRCXZQMKJYHF-UHFFFAOYSA-N 0 2 420.512 3.806 20 0 HHADLN Cc1ccc(-n2nccc2NS(=O)(=O)c2ccc3oc4ccccc4c3c2)nn1 ZINC000532263680 1006756452 /nfs/dbraw/zinc/75/64/52/1006756452.db2.gz PERMJOKIYVTJSK-UHFFFAOYSA-N 0 2 405.439 3.671 20 0 HHADLN CC(=O)c1ccc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)nc1 ZINC000534793359 1006796596 /nfs/dbraw/zinc/79/65/96/1006796596.db2.gz SOULWIAFZDREQK-UHFFFAOYSA-N 0 2 420.384 3.502 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)ccc1C ZINC000534793415 1006796894 /nfs/dbraw/zinc/79/68/94/1006796894.db2.gz WICGAXUCDXOBAL-UHFFFAOYSA-N 0 2 400.451 3.544 20 0 HHADLN COc1ccc2c(c1)OC[C@H]2CC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000534814388 1006821363 /nfs/dbraw/zinc/82/13/63/1006821363.db2.gz JMVOHWDEVLUFPA-GFCCVEGCSA-N 0 2 401.875 3.794 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)[C@@H]3CCCCN3Cc3ccccc3)s[nH]2)c1 ZINC000516518527 1007128772 /nfs/dbraw/zinc/12/87/72/1007128772.db2.gz KQBUDVVQZNNNEP-IBGZPJMESA-N 0 2 408.527 3.629 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1cc(F)cc(Cl)c1 ZINC000535136503 1007174779 /nfs/dbraw/zinc/17/47/79/1007174779.db2.gz BQSBOLXYPKKXLM-CQSZACIVSA-N 0 2 403.834 3.977 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000535174629 1007218750 /nfs/dbraw/zinc/21/87/50/1007218750.db2.gz OLTDFXMYPHCSTK-UONOGXRCSA-N 0 2 401.289 3.527 20 0 HHADLN CC(C)(C)Cc1nc(-c2cccc(C(=O)N=c3nc(-c4cccnc4)[nH]s3)c2)no1 ZINC000535175104 1007219545 /nfs/dbraw/zinc/21/95/45/1007219545.db2.gz PYLUZFWRXJXDMT-UHFFFAOYSA-N 0 2 420.498 3.913 20 0 HHADLN O=C(COc1ccc(Oc2ccccc2)cc1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535231884 1007285333 /nfs/dbraw/zinc/28/53/33/1007285333.db2.gz VLTQXVICEYCDJP-UHFFFAOYSA-N 0 2 404.451 3.832 20 0 HHADLN O=S(=O)(Nc1ccc(COc2ccccc2)cc1)c1cnn(C2CCOCC2)c1 ZINC000539115514 1007402169 /nfs/dbraw/zinc/40/21/69/1007402169.db2.gz VYZYODHDZRNPJG-UHFFFAOYSA-N 0 2 413.499 3.614 20 0 HHADLN COCc1ccc(S(=O)(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000539191634 1007490916 /nfs/dbraw/zinc/49/09/16/1007490916.db2.gz CVPYSEYMAIBSJM-UHFFFAOYSA-N 0 2 411.405 3.838 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)OC)oc2C)c(C(F)(F)F)c1 ZINC000533165472 1007503539 /nfs/dbraw/zinc/50/35/39/1007503539.db2.gz ZHEINJXXNAJTOL-UHFFFAOYSA-N 0 2 407.366 3.593 20 0 HHADLN CC(C)S(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000539233981 1007528143 /nfs/dbraw/zinc/52/81/43/1007528143.db2.gz MKXHKIVUTQORIV-UHFFFAOYSA-N 0 2 423.434 3.568 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cc(N2CCCC2=O)ccc1Cl ZINC000535516385 1007569156 /nfs/dbraw/zinc/56/91/56/1007569156.db2.gz JQDQBGUUWSPOLT-UHFFFAOYSA-N 0 2 404.904 3.721 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccccn1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000535655163 1007668057 /nfs/dbraw/zinc/66/80/57/1007668057.db2.gz MRGCQJJHPNJRGK-UHFFFAOYSA-N 0 2 416.812 3.799 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)c1C1CC1 ZINC000535684630 1007715628 /nfs/dbraw/zinc/71/56/28/1007715628.db2.gz AGNUOAUWYRKRGJ-LLVKDONJSA-N 0 2 411.911 3.972 20 0 HHADLN COc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)ncc1Br ZINC000535689283 1007722255 /nfs/dbraw/zinc/72/22/55/1007722255.db2.gz GSPZNFOMICCAOG-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)c1C ZINC000517518456 1007738341 /nfs/dbraw/zinc/73/83/41/1007738341.db2.gz FNFWLYIQBSQHGV-UHFFFAOYSA-N 0 2 402.497 3.630 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000539440107 1007749385 /nfs/dbraw/zinc/74/93/85/1007749385.db2.gz UOTMFTSGKFUTLO-HOTGVXAUSA-N 0 2 402.426 3.557 20 0 HHADLN CCOc1cc(NS(=O)(=O)c2c3ccccc3sc2C(=O)OC)ccc1OC ZINC000517568376 1007776271 /nfs/dbraw/zinc/77/62/71/1007776271.db2.gz BBELLBPRQONDSM-UHFFFAOYSA-N 0 2 421.496 3.896 20 0 HHADLN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000517620848 1007828125 /nfs/dbraw/zinc/82/81/25/1007828125.db2.gz FVTXVVZFGQGZAM-GFCCVEGCSA-N 0 2 422.944 3.784 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000535926867 1007948313 /nfs/dbraw/zinc/94/83/13/1007948313.db2.gz ADAHUMWICXHOGQ-QWHCGFSZSA-N 0 2 406.389 3.663 20 0 HHADLN O=S(=O)(Nc1cccc2c1CN(c1ccccn1)C2)c1cnn(-c2ccccc2)c1 ZINC000535991300 1008030307 /nfs/dbraw/zinc/03/03/07/1008030307.db2.gz XLEXLHRDVDSOFV-UHFFFAOYSA-N 0 2 417.494 3.588 20 0 HHADLN CCO[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1 ZINC000517909271 1008052050 /nfs/dbraw/zinc/05/20/50/1008052050.db2.gz PVSCIVSAJSPJEM-KRWDZBQOSA-N 0 2 417.512 3.660 20 0 HHADLN C[C@](CC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)(C(=O)[O-])c1ccccc1 ZINC000533784112 1008107123 /nfs/dbraw/zinc/10/71/23/1008107123.db2.gz BYIHXEWRGLNWTQ-XMMPIXPASA-N 0 2 401.466 3.973 20 0 HHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000536094799 1008116878 /nfs/dbraw/zinc/11/68/78/1008116878.db2.gz ISUWFJBWFRIRFR-LBPRGKRZSA-N 0 2 421.327 3.552 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)nc1C1CC1 ZINC000533934288 1008216654 /nfs/dbraw/zinc/21/66/54/1008216654.db2.gz OCAHSWGWWDAYEM-UHFFFAOYSA-N 0 2 404.872 3.709 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)cn1 ZINC000518311393 1008254520 /nfs/dbraw/zinc/25/45/20/1008254520.db2.gz RTDXCSJXJZZCCT-OAQYLSRUSA-N 0 2 424.526 3.681 20 0 HHADLN COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)cc1Cl ZINC000534007899 1008263432 /nfs/dbraw/zinc/26/34/32/1008263432.db2.gz DPIQUBXGGUHVPX-INIZCTEOSA-N 0 2 418.906 3.660 20 0 HHADLN O=S(=O)(Nc1c[nH]nc1-c1ccccn1)c1ccc(OC(F)F)c(Cl)c1 ZINC000540077707 1008275120 /nfs/dbraw/zinc/27/51/20/1008275120.db2.gz KBRKOJJUMBSEPG-UHFFFAOYSA-N 0 2 400.794 3.527 20 0 HHADLN COC(=O)c1cccc(CS(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)c1 ZINC000540202943 1008334414 /nfs/dbraw/zinc/33/44/14/1008334414.db2.gz RDWVFFLFSVZKRD-UHFFFAOYSA-N 0 2 420.487 3.602 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000540217658 1008340035 /nfs/dbraw/zinc/34/00/35/1008340035.db2.gz RGOSJKIUKHTRRN-UHFFFAOYSA-N 0 2 403.481 3.915 20 0 HHADLN CC(C)S(=O)(=O)c1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000540335983 1008386214 /nfs/dbraw/zinc/38/62/14/1008386214.db2.gz KETVNVYRLCUVCH-UHFFFAOYSA-N 0 2 407.435 3.688 20 0 HHADLN Cn1nc(CC(C)(C)C)cc1NS(=O)(=O)c1ccc(F)cc1Br ZINC000518704336 1008398183 /nfs/dbraw/zinc/39/81/83/1008398183.db2.gz HHJQIBAAWGNFBA-UHFFFAOYSA-N 0 2 404.305 3.711 20 0 HHADLN O=C(COc1ccc(Cl)c2cccnc12)N=c1nc(-c2ccsc2)[nH]s1 ZINC000518786811 1008419882 /nfs/dbraw/zinc/41/98/82/1008419882.db2.gz ADIPZJAMKJQUJY-UHFFFAOYSA-N 0 2 402.888 3.908 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(C)c(NC(C)=O)c1 ZINC000518808577 1008427043 /nfs/dbraw/zinc/42/70/43/1008427043.db2.gz HUBZCMWSTWFTDV-UHFFFAOYSA-N 0 2 418.496 3.756 20 0 HHADLN O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000540469522 1008443924 /nfs/dbraw/zinc/44/39/24/1008443924.db2.gz XLJSNCLJYZMCCM-APWZRJJASA-N 0 2 401.825 3.630 20 0 HHADLN CCCCOc1ccc(-c2nnc(NS(=O)(=O)c3ccc(F)cc3F)o2)cc1 ZINC000518894997 1008462843 /nfs/dbraw/zinc/46/28/43/1008462843.db2.gz KUAITVDFCJGHEB-UHFFFAOYSA-N 0 2 409.414 3.995 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccc(F)cc1)c1ccc(OC(F)F)c(F)c1 ZINC000518957879 1008486641 /nfs/dbraw/zinc/48/66/41/1008486641.db2.gz DZHHPNKDPFOWKP-UHFFFAOYSA-N 0 2 415.368 3.612 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cnn1-c1cc(C)ccn1 ZINC000545473131 1008580229 /nfs/dbraw/zinc/58/02/29/1008580229.db2.gz CCIFNFVFCNNLHH-UHFFFAOYSA-N 0 2 420.922 3.991 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cnn1-c1ccccc1 ZINC000543022945 1008603945 /nfs/dbraw/zinc/60/39/45/1008603945.db2.gz PMHLXMYHPAOTBI-UHFFFAOYSA-N 0 2 424.526 3.752 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c(C)c1F ZINC000543032272 1008615175 /nfs/dbraw/zinc/61/51/75/1008615175.db2.gz JRLAMCWBMPRKSV-GFCCVEGCSA-N 0 2 413.540 3.632 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000543147539 1008720446 /nfs/dbraw/zinc/72/04/46/1008720446.db2.gz VVHGYVDQDWIPKS-UHFFFAOYSA-N 0 2 424.530 3.666 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)[nH+]c(C1CC1)n2C ZINC000543147333 1008720784 /nfs/dbraw/zinc/72/07/84/1008720784.db2.gz KWVDNVJMWFGUBU-UHFFFAOYSA-N 0 2 401.536 3.721 20 0 HHADLN O=S(=O)([N-]c1ccc(-c2[nH+]cc3n2CCCC3)cc1)c1cnn(-c2ccccc2)c1 ZINC000519477876 1008851567 /nfs/dbraw/zinc/85/15/67/1008851567.db2.gz BXRVXXCIFUFZFO-UHFFFAOYSA-N 0 2 419.510 3.873 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NCc1cccc(Cl)c1Cl ZINC000546038579 1009063080 /nfs/dbraw/zinc/06/30/80/1009063080.db2.gz VBCCUQXGWRLEHJ-UHFFFAOYSA-N 0 2 406.273 3.690 20 0 HHADLN O=S(=O)(N[C@H](c1nccs1)C(F)(F)F)c1csc(-c2ccccc2)n1 ZINC000549525643 1009134378 /nfs/dbraw/zinc/13/43/78/1009134378.db2.gz LTNAIJGMXZUUMF-LLVKDONJSA-N 0 2 405.448 3.849 20 0 HHADLN O=S(=O)(Nc1ccc(OC(F)F)nc1)c1cc(Br)sc1Cl ZINC000549556148 1009173993 /nfs/dbraw/zinc/17/39/93/1009173993.db2.gz XTCXOAYRRGUNSR-UHFFFAOYSA-N 0 2 419.656 3.961 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(F)c(F)c2F)cnn1-c1cc(C)ccn1 ZINC000546179327 1009208963 /nfs/dbraw/zinc/20/89/63/1009208963.db2.gz GNFDMMJDNHXPQY-UHFFFAOYSA-N 0 2 410.421 3.746 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C[C@H]3CCCO3)C3CCCC3)s[nH]2)c1 ZINC000543615296 1009219916 /nfs/dbraw/zinc/21/99/16/1009219916.db2.gz VUMHLJCAKFEBMZ-QGZVFWFLSA-N 0 2 402.520 3.591 20 0 HHADLN O=S(=O)(Nc1c[nH]nc1-c1ccccc1F)c1ccccc1OC(F)(F)F ZINC000549612159 1009240274 /nfs/dbraw/zinc/24/02/74/1009240274.db2.gz MDFRZWVSYWKXSO-UHFFFAOYSA-N 0 2 401.341 3.915 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nc(C)c3c(n2)CCCC3)cnn1-c1ccc(Cl)cc1 ZINC000543682371 1009291813 /nfs/dbraw/zinc/29/18/13/1009291813.db2.gz AUBILIFUWPGLTQ-UHFFFAOYSA-N 0 2 417.922 3.612 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc([C@H](CC)c3ccccc3)s2)cn1 ZINC000543792392 1009359096 /nfs/dbraw/zinc/35/90/96/1009359096.db2.gz UCXICCZOTSGQAG-OAHLLOKOSA-N 0 2 404.517 3.675 20 0 HHADLN O=S(=O)(Cc1cccc(NS(=O)(=O)c2cccc(F)c2F)c1)c1ccccc1 ZINC000520333318 1009467713 /nfs/dbraw/zinc/46/77/13/1009467713.db2.gz RADXPCVSEAPBIQ-UHFFFAOYSA-N 0 2 423.462 3.740 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000543910605 1009496826 /nfs/dbraw/zinc/49/68/26/1009496826.db2.gz MNQHTHRKZLDQIK-UHFFFAOYSA-N 0 2 417.430 3.939 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1Nc1ccccc1F)c1cnn([C@H]2CCOC2)c1 ZINC000543951224 1009550491 /nfs/dbraw/zinc/55/04/91/1009550491.db2.gz CPMXPUYSYKTPEH-AWEZNQCLSA-N 0 2 420.441 3.667 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3nc(Cc4ccccc4)cs3)cc12 ZINC000546563715 1009586959 /nfs/dbraw/zinc/58/69/59/1009586959.db2.gz HVHHOGSLBASAJS-UHFFFAOYSA-N 0 2 400.485 3.633 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ccccc1C(=O)c1ccc(F)c(F)c1 ZINC000544004824 1009606388 /nfs/dbraw/zinc/60/63/88/1009606388.db2.gz HRYIXIIJOXUPPN-UHFFFAOYSA-N 0 2 422.416 3.784 20 0 HHADLN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NS(=O)(=O)c1cc(F)ccc1F ZINC000520617270 1009693908 /nfs/dbraw/zinc/69/39/08/1009693908.db2.gz WXSRGUDZKOJCEH-CYBMUJFWSA-N 0 2 408.470 3.946 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)Cc1ccc(F)c(Br)c1 ZINC000550123572 1009714620 /nfs/dbraw/zinc/71/46/20/1009714620.db2.gz UMJGYDKLNHRYFT-UHFFFAOYSA-N 0 2 405.227 3.569 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C2CCN(c3noc4ccc(Cl)cc43)CC2)s[nH]1 ZINC000550199194 1009769627 /nfs/dbraw/zinc/76/96/27/1009769627.db2.gz WXLVHLDQBXDPRV-UHFFFAOYSA-N 0 2 419.938 3.907 20 0 HHADLN CCc1cc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)nc(C)n1 ZINC000546884412 1009844322 /nfs/dbraw/zinc/84/43/22/1009844322.db2.gz IQUSSGIWZGWWRV-UHFFFAOYSA-N 0 2 424.242 3.930 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccn2)c1 ZINC000546885187 1009845384 /nfs/dbraw/zinc/84/53/84/1009845384.db2.gz FMRXPWOPPCDTGV-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2nc3c(ccc4ccccc34)s2)cn1C ZINC000546885877 1009845859 /nfs/dbraw/zinc/84/58/59/1009845859.db2.gz QEIRQHQTSOMTHE-UHFFFAOYSA-N 0 2 415.496 3.766 20 0 HHADLN Cn1cc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)c(-c2ccccc2Cl)n1 ZINC000520966410 1010010573 /nfs/dbraw/zinc/01/05/73/1010010573.db2.gz KFBOVYASPJMUJQ-UHFFFAOYSA-N 0 2 401.904 3.995 20 0 HHADLN O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000520967824 1010012149 /nfs/dbraw/zinc/01/21/49/1010012149.db2.gz BSWBUIGSROGCOD-UHFFFAOYSA-N 0 2 417.903 3.963 20 0 HHADLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000521018526 1010054511 /nfs/dbraw/zinc/05/45/11/1010054511.db2.gz LKHWDJYXZUUBJM-UHFFFAOYSA-N 0 2 414.462 3.579 20 0 HHADLN O=C(CCc1ccc2c(c1)OCCO2)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000521083193 1010099055 /nfs/dbraw/zinc/09/90/55/1010099055.db2.gz ZJTFITJGLXNZSM-UHFFFAOYSA-N 0 2 401.875 3.623 20 0 HHADLN CCCOc1nc(C(=O)N2CCCC[C@@H]2c2nnc(COC)[nH]2)cc2ccccc21 ZINC000521130929 1010155002 /nfs/dbraw/zinc/15/50/02/1010155002.db2.gz WYDKVVBGNYAONJ-GOSISDBHSA-N 0 2 409.490 3.656 20 0 HHADLN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2nc(C(C)(C)C)co2)c1 ZINC000550799852 1010187368 /nfs/dbraw/zinc/18/73/68/1010187368.db2.gz UTOPTERABVKLDQ-UHFFFAOYSA-N 0 2 402.314 3.601 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ccc(F)cc3OCC(F)(F)F)cc12 ZINC000547242662 1010188049 /nfs/dbraw/zinc/18/80/49/1010188049.db2.gz XPEIBCWJPNIQPJ-UHFFFAOYSA-N 0 2 419.356 3.666 20 0 HHADLN Cc1ccc(Cn2nccc2NS(=O)(=O)c2cccc(Br)c2)cc1 ZINC000550833845 1010208132 /nfs/dbraw/zinc/20/81/32/1010208132.db2.gz JOKJRSHJOXUWFM-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(C)cc2)c2cccnc12 ZINC000550832652 1010208526 /nfs/dbraw/zinc/20/85/26/1010208526.db2.gz ZFLSHPVKQIOPSN-UHFFFAOYSA-N 0 2 408.483 3.597 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)=N1 ZINC000544584226 1010210731 /nfs/dbraw/zinc/21/07/31/1010210731.db2.gz RZJZIDZDLWMGPJ-XLIONFOSSA-N 0 2 413.424 3.815 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3nnc(-c4ccc(C)cc4C)s3)cc12 ZINC000547272069 1010217945 /nfs/dbraw/zinc/21/79/45/1010217945.db2.gz UEOSJMFBAQOMHE-UHFFFAOYSA-N 0 2 415.500 3.721 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2ccccc2OCCOC)c(C(F)(F)F)c1 ZINC000547273816 1010219844 /nfs/dbraw/zinc/21/98/44/1010219844.db2.gz PRXYFDLMMOKSJR-UHFFFAOYSA-N 0 2 419.421 3.930 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CC[C@H](c4ccccc4OC)C3)s[nH]2)c1 ZINC000544597538 1010223490 /nfs/dbraw/zinc/22/34/90/1010223490.db2.gz KNPIICAJPFHXJG-HNNXBMFYSA-N 0 2 410.499 3.666 20 0 HHADLN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)cc1 ZINC000544632639 1010255585 /nfs/dbraw/zinc/25/55/85/1010255585.db2.gz ZXRZRAHWSBIIJF-UHFFFAOYSA-N 0 2 417.314 3.982 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCO[C@@H](c2ccsc2)C1 ZINC000544638847 1010262895 /nfs/dbraw/zinc/26/28/95/1010262895.db2.gz QKCNRKYCSOHZDQ-CQSZACIVSA-N 0 2 406.920 3.947 20 0 HHADLN CCC(=O)Nc1cccc(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c1 ZINC000544638861 1010263814 /nfs/dbraw/zinc/26/38/14/1010263814.db2.gz QUBYQAMAOYTRFU-UHFFFAOYSA-N 0 2 415.906 3.951 20 0 HHADLN Cn1cc([C@@H](NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)C(C)(C)C)cn1 ZINC000544638863 1010264114 /nfs/dbraw/zinc/26/41/14/1010264114.db2.gz QZTSTZVOSFASCI-CQSZACIVSA-N 0 2 404.927 3.923 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)c1C ZINC000544645957 1010270844 /nfs/dbraw/zinc/27/08/44/1010270844.db2.gz ZCVOAKPUGXZCDK-UHFFFAOYSA-N 0 2 407.275 3.621 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)N[C@H](C(C)(C)C)C(F)(F)F ZINC000544665885 1010284726 /nfs/dbraw/zinc/28/47/26/1010284726.db2.gz GTKXBARIKPKJRR-LLVKDONJSA-N 0 2 422.238 3.852 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)N[C@@H](C(C)(C)C)C(F)(F)F ZINC000544665906 1010284829 /nfs/dbraw/zinc/28/48/29/1010284829.db2.gz GTKXBARIKPKJRR-NSHDSACASA-N 0 2 422.238 3.852 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)c1OC ZINC000551018448 1010320089 /nfs/dbraw/zinc/32/00/89/1010320089.db2.gz HYAIRHQGSMXMBZ-UHFFFAOYSA-N 0 2 418.924 3.690 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000547528457 1010340019 /nfs/dbraw/zinc/34/00/19/1010340019.db2.gz SUNSWSHGGBMVAV-GFCCVEGCSA-N 0 2 404.492 3.915 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)CSCc1ccncc1 ZINC000521383161 1010347087 /nfs/dbraw/zinc/34/70/87/1010347087.db2.gz ICLMLTQMHCUAFX-FQEVSTJZSA-N 0 2 424.570 3.554 20 0 HHADLN O=C(Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1cc2sccc2s1 ZINC000521387423 1010350060 /nfs/dbraw/zinc/35/00/60/1010350060.db2.gz NMFVOYPIQBOELF-UHFFFAOYSA-N 0 2 422.538 3.867 20 0 HHADLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1ccc(Br)cc1C ZINC000551107701 1010373521 /nfs/dbraw/zinc/37/35/21/1010373521.db2.gz ZKMJXBKNJPGKFO-UHFFFAOYSA-N 0 2 418.696 3.998 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2c(C)cnn2-c2ccccc2)c1 ZINC000544846477 1010432358 /nfs/dbraw/zinc/43/23/58/1010432358.db2.gz RWWYXXDAKNAEGL-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN CSc1ccsc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000521678938 1010544516 /nfs/dbraw/zinc/54/45/16/1010544516.db2.gz VQDBRTIZDSBCBB-UHFFFAOYSA-N 0 2 411.555 3.980 20 0 HHADLN NC(=O)CSc1ccccc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000551388750 1010555242 /nfs/dbraw/zinc/55/52/42/1010555242.db2.gz UZMLYILUDIKSKM-UHFFFAOYSA-N 0 2 409.291 3.511 20 0 HHADLN O=C(CSc1ccc(C(F)(F)F)cn1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000521835766 1010647431 /nfs/dbraw/zinc/64/74/31/1010647431.db2.gz SSIHOTRUIALZKA-UHFFFAOYSA-N 0 2 402.448 3.833 20 0 HHADLN Cc1cc(-c2csc(NS(=O)(=O)CCC3CC3)n2)c(C)n1C[C@@H]1CCCO1 ZINC000545149828 1010648766 /nfs/dbraw/zinc/64/87/66/1010648766.db2.gz SZJUVUFKNPKNRV-INIZCTEOSA-N 0 2 409.577 3.949 20 0 HHADLN Cc1c(CNC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)oc2ccc(F)cc12 ZINC000548513828 1010653734 /nfs/dbraw/zinc/65/37/34/1010653734.db2.gz NUHYQARNIANKEG-UHFFFAOYSA-N 0 2 400.435 3.932 20 0 HHADLN C[C@@H](C(F)(F)F)S(=O)(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000545385968 1010767569 /nfs/dbraw/zinc/76/75/69/1010767569.db2.gz CWZIOHQXNWIUOJ-NSHDSACASA-N 0 2 419.387 3.624 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)s1 ZINC000522512080 1011056795 /nfs/dbraw/zinc/05/67/95/1011056795.db2.gz CUIAWKFQVAYIIR-UHFFFAOYSA-N 0 2 421.565 3.972 20 0 HHADLN CC[C@H]1CCc2nc(NS(=O)(=O)c3ccc(C4(C(=O)OC)CC4)cc3)sc2C1 ZINC000540650585 1011302660 /nfs/dbraw/zinc/30/26/60/1011302660.db2.gz GLKQPQNCKPTZBK-ZDUSSCGKSA-N 0 2 420.556 3.663 20 0 HHADLN COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc4c(ccc(F)c4F)s3)cc2)CC1 ZINC000540654543 1011306663 /nfs/dbraw/zinc/30/66/63/1011306663.db2.gz PPQOTDMFCCHEQJ-UHFFFAOYSA-N 0 2 424.450 3.580 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000536284849 1011462133 /nfs/dbraw/zinc/46/21/33/1011462133.db2.gz HQCAGTOAYOKZJF-CQSZACIVSA-N 0 2 408.405 3.501 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)s[nH]1 ZINC000540862412 1011533773 /nfs/dbraw/zinc/53/37/73/1011533773.db2.gz FADCSMRTFBZOGI-CQSZACIVSA-N 0 2 417.583 3.835 20 0 HHADLN O=C(NC/C=C\c1ccccc1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000540885452 1011560979 /nfs/dbraw/zinc/56/09/79/1011560979.db2.gz BIYHRATTYFOYLF-YVMONPNESA-N 0 2 414.512 3.779 20 0 HHADLN Cc1cc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)nn1C(F)F ZINC000536459206 1011678347 /nfs/dbraw/zinc/67/83/47/1011678347.db2.gz KNJQNUUOWRWJDS-UHFFFAOYSA-N 0 2 415.173 3.526 20 0 HHADLN CCc1ccc2nc(NS(=O)(=O)c3ccc4c(c3)C[C@H](C)N4C(C)=O)sc2c1 ZINC000536460317 1011679678 /nfs/dbraw/zinc/67/96/78/1011679678.db2.gz VEIRZFRFPFINQH-LBPRGKRZSA-N 0 2 415.540 3.957 20 0 HHADLN O=S(=O)(Nc1ncn(-c2ccccc2)n1)c1ccc(OCc2ccccc2)cc1 ZINC000541073085 1011712475 /nfs/dbraw/zinc/71/24/75/1011712475.db2.gz NPNUWZRFAATLDI-UHFFFAOYSA-N 0 2 406.467 3.647 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1cnc2c(c1)CCCC2 ZINC000541073237 1011713497 /nfs/dbraw/zinc/71/34/97/1011713497.db2.gz NZOISDGRIQRNKS-UHFFFAOYSA-N 0 2 415.284 3.671 20 0 HHADLN O=S(=O)(Nc1nc2c(cc(F)c(F)c2F)s1)c1ccc(C(F)(F)F)nc1 ZINC000541083346 1011724673 /nfs/dbraw/zinc/72/46/73/1011724673.db2.gz INMVUDNDBCNZQW-UHFFFAOYSA-N 0 2 413.324 3.928 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2Nc2ccccc2F)cn1 ZINC000541164402 1011830853 /nfs/dbraw/zinc/83/08/53/1011830853.db2.gz HRQUQBBAJSXXGT-UHFFFAOYSA-N 0 2 419.409 3.691 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)Nc2ccccc2C)c1 ZINC000536697988 1011866865 /nfs/dbraw/zinc/86/68/65/1011866865.db2.gz LFQQZHYDKLLOQP-UHFFFAOYSA-N 0 2 412.467 3.762 20 0 HHADLN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCO3)s1 ZINC000536703462 1011873700 /nfs/dbraw/zinc/87/37/00/1011873700.db2.gz ZCYNOESCYFAILO-UHFFFAOYSA-N 0 2 422.572 3.579 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1nc2c(ccc(F)c2F)s1 ZINC000541291377 1011991359 /nfs/dbraw/zinc/99/13/59/1011991359.db2.gz YVXHWHBSWJCDQH-UHFFFAOYSA-N 0 2 400.476 3.845 20 0 HHADLN O=C(c1csc(-c2cccc(C(F)(F)F)c2)n1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000552016213 1012050067 /nfs/dbraw/zinc/05/00/67/1012050067.db2.gz RDSYGSBLIBWPLJ-UHFFFAOYSA-N 0 2 423.420 3.672 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cn(C)nc2-c2ccccc2)cc1Br ZINC000536896283 1012151164 /nfs/dbraw/zinc/15/11/64/1012151164.db2.gz HIVWJXRHCXXDSH-UHFFFAOYSA-N 0 2 422.304 3.659 20 0 HHADLN O=S(=O)(Nc1ccc(Br)c2ccccc12)c1cnn([C@@H]2CCOC2)c1 ZINC000536902200 1012161500 /nfs/dbraw/zinc/16/15/00/1012161500.db2.gz SQYMFRUXFAPMDG-GFCCVEGCSA-N 0 2 422.304 3.561 20 0 HHADLN Cc1cccc(C)c1NCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000552227389 1012239915 /nfs/dbraw/zinc/23/99/15/1012239915.db2.gz ALWPCZUITCWOTP-UHFFFAOYSA-N 0 2 416.528 3.611 20 0 HHADLN C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552257011 1012266335 /nfs/dbraw/zinc/26/63/35/1012266335.db2.gz YSHPPEVRMOWEAI-AWEZNQCLSA-N 0 2 415.453 3.974 20 0 HHADLN COc1ccc2nc(C3CC3)cc(C(=O)Nc3cccc(-c4n[nH]c(=O)[nH]4)c3)c2c1 ZINC000552280086 1012293068 /nfs/dbraw/zinc/29/30/68/1012293068.db2.gz SFBSNTRHVULWJC-UHFFFAOYSA-N 0 2 401.426 3.864 20 0 HHADLN C[S@@](=O)Cc1cccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 ZINC000523726024 1012339617 /nfs/dbraw/zinc/33/96/17/1012339617.db2.gz DLJDBUWMOFHSDC-RUZDIDTESA-N 0 2 418.316 3.970 20 0 HHADLN CCOC(=O)c1cnc(/C=C\c2c[nH+]c3ccc(Br)cn23)c(C(=O)[O-])c1 ZINC000537031238 1012343736 /nfs/dbraw/zinc/34/37/36/1012343736.db2.gz FMKQOUXRCSSTPU-PLNGDYQASA-N 0 2 416.231 3.537 20 0 HHADLN COc1ccc(C(=O)CCCCCC(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cc1 ZINC000552623124 1012625651 /nfs/dbraw/zinc/62/56/51/1012625651.db2.gz BBELFWQNRAVOIK-UHFFFAOYSA-N 0 2 408.458 3.958 20 0 HHADLN COc1cc(CNC(=O)N=c2nc(C(C)(C)C)[nH]s2)ccc1OC1CCCC1 ZINC000523929310 1012657967 /nfs/dbraw/zinc/65/79/67/1012657967.db2.gz QVERHASUYOHWJD-UHFFFAOYSA-N 0 2 404.536 3.909 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCN(c2ccc(F)cc2)CC1 ZINC000541796561 1012672014 /nfs/dbraw/zinc/67/20/14/1012672014.db2.gz GPFPBCSYORQARX-UHFFFAOYSA-N 0 2 417.897 3.774 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000541797447 1012673882 /nfs/dbraw/zinc/67/38/82/1012673882.db2.gz XCMFJLXZWRIZSB-INIZCTEOSA-N 0 2 416.890 3.591 20 0 HHADLN Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc4c(Cl)ccc(C)c4n3)cc12 ZINC000537259651 1012709583 /nfs/dbraw/zinc/70/95/83/1012709583.db2.gz ATSKVBOZSMERKK-UHFFFAOYSA-N 0 2 401.879 3.588 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2[nH]nc(C)c2-c2ccc3c(c2)OCO3)cc1C ZINC000541833098 1012720985 /nfs/dbraw/zinc/72/09/85/1012720985.db2.gz TVDOQDHRABVKSK-UHFFFAOYSA-N 0 2 415.471 3.622 20 0 HHADLN CCOC(=O)c1cc(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)[nH]c2C)n[nH]1 ZINC000541904745 1012763879 /nfs/dbraw/zinc/76/38/79/1012763879.db2.gz DIXKNXLPSQDYCT-UHFFFAOYSA-N 0 2 407.352 3.556 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2cccc(N(C)C)n2)cc1 ZINC000541974256 1012840729 /nfs/dbraw/zinc/84/07/29/1012840729.db2.gz BXTWYCBFKIWCAC-UHFFFAOYSA-N 0 2 416.528 3.571 20 0 HHADLN COCCOc1c(Cl)cccc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000542008827 1012892920 /nfs/dbraw/zinc/89/29/20/1012892920.db2.gz SYJIJWOQTAXXAA-UHFFFAOYSA-N 0 2 410.801 3.580 20 0 HHADLN O=S(=O)(Nc1cccc2c1OCO2)c1ccc(Br)cc1C(F)(F)F ZINC000542010913 1012894320 /nfs/dbraw/zinc/89/43/20/1012894320.db2.gz HMQFNYIHGTUTOC-UHFFFAOYSA-N 0 2 424.194 3.997 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1OCC(F)F)c1ccc(C(F)(F)F)nc1 ZINC000542011053 1012896009 /nfs/dbraw/zinc/89/60/09/1012896009.db2.gz JOAUPRXDWJJFFQ-UHFFFAOYSA-N 0 2 400.300 3.684 20 0 HHADLN CCc1nc2cc(S(=O)(=O)Nc3nc(CN4CCC[C@H](C)C4)cs3)ccc2o1 ZINC000542012206 1012897057 /nfs/dbraw/zinc/89/70/57/1012897057.db2.gz PXRPDCLQKDIITN-ZDUSSCGKSA-N 0 2 420.560 3.879 20 0 HHADLN C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)[C@H]2CCCC[C@@H]12 ZINC000542061361 1012978774 /nfs/dbraw/zinc/97/87/74/1012978774.db2.gz WDBJFTRQCNEGRO-COXVUDFISA-N 0 2 405.545 3.595 20 0 HHADLN O=C(NCc1ccc(-c2nc(-c3ccc(N4CCCCC4)nc3)no2)o1)C(F)(F)F ZINC000904432046 1071761629 /nfs/dbraw/zinc/76/16/29/1071761629.db2.gz MAQQHRYVXXCITN-UHFFFAOYSA-N 0 2 421.379 3.560 20 0 HHADLN O=C(NCc1cnc(-c2ccccc2)s1)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001126746566 1071861052 /nfs/dbraw/zinc/86/10/52/1071861052.db2.gz BVGXSMOGEXBQIM-UHFFFAOYSA-N 0 2 409.389 3.512 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000488221945 1072136552 /nfs/dbraw/zinc/13/65/52/1072136552.db2.gz OEPQAJSJHRBNEG-CQSZACIVSA-N 0 2 415.870 3.933 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccccc2CC(F)(F)F)c(OC)c1 ZINC000488254088 1072172024 /nfs/dbraw/zinc/17/20/24/1072172024.db2.gz XFWCELZSNKCUNH-UHFFFAOYSA-N 0 2 405.394 3.618 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)nc1C1CC1 ZINC000479112988 1072729677 /nfs/dbraw/zinc/72/96/77/1072729677.db2.gz ARRVEZBJBLHQKQ-UHFFFAOYSA-N 0 2 420.434 3.713 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2c(C)c(C)nn2-c2ccc(Cl)cc2)cc1 ZINC000479130865 1072741275 /nfs/dbraw/zinc/74/12/75/1072741275.db2.gz MDEFMCCSHQDVCF-UHFFFAOYSA-N 0 2 419.890 3.730 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)c(OC)c1 ZINC000479132395 1072741927 /nfs/dbraw/zinc/74/19/27/1072741927.db2.gz QJNMVPGMZMSERZ-UHFFFAOYSA-N 0 2 412.876 3.546 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3nc4c(cccc4Cl)s3)cnc2c1Cl ZINC000479133902 1072744573 /nfs/dbraw/zinc/74/45/73/1072744573.db2.gz MDOYMEBZLDRRFK-UHFFFAOYSA-N 0 2 414.299 3.755 20 0 HHADLN CCC[C@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)OCC)o3)c2C1 ZINC000479135058 1072746035 /nfs/dbraw/zinc/74/60/35/1072746035.db2.gz HLFQFNVWKYWJHE-AWEZNQCLSA-N 0 2 406.504 3.761 20 0 HHADLN CCC[C@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)OCC)o3)c2C1 ZINC000479135058 1072746040 /nfs/dbraw/zinc/74/60/40/1072746040.db2.gz HLFQFNVWKYWJHE-AWEZNQCLSA-N 0 2 406.504 3.761 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2c(C)c(C)nn2-c2ccc(Cl)cc2)c1C ZINC000479135685 1072747802 /nfs/dbraw/zinc/74/78/02/1072747802.db2.gz VFDANXPMSVBVGO-UHFFFAOYSA-N 0 2 407.927 3.777 20 0 HHADLN Cc1nn(-c2ccc(Cl)cc2)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1C ZINC000479136578 1072748916 /nfs/dbraw/zinc/74/89/16/1072748916.db2.gz WGGLOSGWIPWPNR-UHFFFAOYSA-N 0 2 419.890 3.715 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1nc(C)cc(C2CC2)n1 ZINC000479115596 1072752818 /nfs/dbraw/zinc/75/28/18/1072752818.db2.gz PVIPCADNZURRKV-UHFFFAOYSA-N 0 2 411.911 3.532 20 0 HHADLN O=S(=O)(Nc1nnc(/C=C\c2ccco2)s1)c1ccccc1Br ZINC000479119113 1072755610 /nfs/dbraw/zinc/75/56/10/1072755610.db2.gz NJSWIQWFZWJTJD-FPLPWBNLSA-N 0 2 412.290 3.865 20 0 HHADLN O=S(=O)(Nc1nnc(CC(F)(F)F)s1)c1ccc(CC(F)(F)F)cc1 ZINC000479118982 1072756165 /nfs/dbraw/zinc/75/61/65/1072756165.db2.gz QBBXGARXKBJIQI-UHFFFAOYSA-N 0 2 405.345 3.549 20 0 HHADLN Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000479140976 1072762724 /nfs/dbraw/zinc/76/27/24/1072762724.db2.gz MXOQUKXHTMWSEH-UHFFFAOYSA-N 0 2 402.220 3.713 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)N[C@](C)(C1CC1)C(F)(F)F ZINC000479140989 1072763002 /nfs/dbraw/zinc/76/30/02/1072763002.db2.gz YBRPTDMHQFRILX-GFCCVEGCSA-N 0 2 420.222 3.606 20 0 HHADLN O=S(=O)(Nc1nnc(-c2c(F)cccc2Cl)s1)c1cncc(Cl)c1 ZINC000479147194 1072768339 /nfs/dbraw/zinc/76/83/39/1072768339.db2.gz ZKICQILXWFCTQZ-UHFFFAOYSA-N 0 2 405.263 3.847 20 0 HHADLN CC[C@@H](CNC(=O)c1ccc(CNC(=O)C(F)(F)F)o1)Oc1cccc(Cl)c1 ZINC001126878523 1072873002 /nfs/dbraw/zinc/87/30/02/1072873002.db2.gz GDJQDIFXTWMJQG-LBPRGKRZSA-N 0 2 418.799 3.699 20 0 HHADLN O=C(c1c(O)cc(F)cc1F)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000588219491 1072918944 /nfs/dbraw/zinc/91/89/44/1072918944.db2.gz PWKYOFYUBJKPHP-GFCCVEGCSA-N 0 2 403.360 3.879 20 0 HHADLN CCCCn1ncc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1C ZINC000554956494 1073004902 /nfs/dbraw/zinc/00/49/02/1073004902.db2.gz JCVCXNUJWDWFEA-UHFFFAOYSA-N 0 2 419.532 3.501 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3CC34CCCC4)ccc2F)cc1 ZINC000760587829 1073115046 /nfs/dbraw/zinc/11/50/46/1073115046.db2.gz KZMDRMLUIDFKLL-IBGZPJMESA-N 0 2 418.490 3.698 20 0 HHADLN O=S(=O)(Nc1nc2cc(Cl)ccn2n1)c1ccc(Br)c(Cl)c1 ZINC000555135036 1073187175 /nfs/dbraw/zinc/18/71/75/1073187175.db2.gz FAMMBPWKJYBFEF-UHFFFAOYSA-N 0 2 422.091 3.599 20 0 HHADLN Cc1ccccc1C1(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 ZINC000588784152 1073207998 /nfs/dbraw/zinc/20/79/98/1073207998.db2.gz RATPYNVIIJIEDT-UHFFFAOYSA-N 0 2 413.524 3.923 20 0 HHADLN Cc1cc(Br)ccc1S(=O)(=O)Nc1noc(-c2ccccc2F)n1 ZINC000555195072 1073242698 /nfs/dbraw/zinc/24/26/98/1073242698.db2.gz NQUBNISEJYVGFU-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN Cc1c(Br)cccc1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000588834306 1073295377 /nfs/dbraw/zinc/29/53/77/1073295377.db2.gz RJGZVORPBILCGP-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1N1CCCCC1)c1cnn(Cc2ccccc2)c1 ZINC000588908553 1073321097 /nfs/dbraw/zinc/32/10/97/1073321097.db2.gz QAUJYMMBGWNVGC-UHFFFAOYSA-N 0 2 414.506 3.862 20 0 HHADLN O=S(=O)(Nc1ccc(OC(F)F)nc1)c1cc(Br)c(F)cc1F ZINC000555428391 1073456758 /nfs/dbraw/zinc/45/67/58/1073456758.db2.gz XEZFAEQCYAPZLE-UHFFFAOYSA-N 0 2 415.162 3.525 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(OCc3cscn3)c2)c(F)c1 ZINC000589148868 1073462566 /nfs/dbraw/zinc/46/25/66/1073462566.db2.gz CECNBUWZYNBWNC-UHFFFAOYSA-N 0 2 421.475 3.620 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ncc(-c2ccccc2F)s1 ZINC000555458797 1073519844 /nfs/dbraw/zinc/51/98/44/1073519844.db2.gz HWUMCYBMXILJCV-UHFFFAOYSA-N 0 2 412.489 3.907 20 0 HHADLN COc1cc(C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)sc1Br ZINC000555524698 1073586371 /nfs/dbraw/zinc/58/63/71/1073586371.db2.gz XABBHHOIHHOPDR-UHFFFAOYSA-N 0 2 409.265 3.571 20 0 HHADLN COCCOc1ncccc1NC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000590275972 1073702393 /nfs/dbraw/zinc/70/23/93/1073702393.db2.gz SNBDQQGPYKALCL-UHFFFAOYSA-N 0 2 417.263 3.512 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cnn(-c4ccccn4)c3C(C)C)s[nH]2)c1 ZINC000590554311 1073891041 /nfs/dbraw/zinc/89/10/41/1073891041.db2.gz JVPCBSSSIPCBLP-UHFFFAOYSA-N 0 2 420.498 3.592 20 0 HHADLN COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2nc(C)c(C(F)(F)F)s2)c1 ZINC000555946736 1073994341 /nfs/dbraw/zinc/99/43/41/1073994341.db2.gz KFGVNBKQDDDDDA-UHFFFAOYSA-N 0 2 408.423 3.675 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)o2)c(C)c1C ZINC000556038977 1074058294 /nfs/dbraw/zinc/05/82/94/1074058294.db2.gz DSQVCRRWYMNNDO-UHFFFAOYSA-N 0 2 407.879 3.740 20 0 HHADLN COCc1ccccc1CS(=O)(=O)Nc1nc2c(s1)CCc1ccccc1-2 ZINC000573040451 1074069740 /nfs/dbraw/zinc/06/97/40/1074069740.db2.gz GOALISBGSUPBOU-UHFFFAOYSA-N 0 2 400.525 3.997 20 0 HHADLN Cn1c(Cl)cnc1CNC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000760810499 1074131985 /nfs/dbraw/zinc/13/19/85/1074131985.db2.gz HWGAWGNKKDOZJM-UHFFFAOYSA-N 0 2 408.845 3.637 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cnn(C)c2-c2ccccc2)cc1Cl ZINC000573239649 1074319855 /nfs/dbraw/zinc/31/98/55/1074319855.db2.gz WREGQCHRSHSZSQ-UHFFFAOYSA-N 0 2 422.869 3.639 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc3c(c2)C(=O)CCC3)nc1C(C)(C)C ZINC000574613819 1075302322 /nfs/dbraw/zinc/30/23/22/1075302322.db2.gz RHFJAZKWZQAPMB-UHFFFAOYSA-N 0 2 422.528 3.547 20 0 HHADLN O=C([O-])C1(NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CCCCC1 ZINC000780395941 939115317 /nfs/dbraw/zinc/11/53/17/939115317.db2.gz BCNKAFNEDHYXNW-INIZCTEOSA-N 0 2 411.905 3.703 20 0 HHADLN CCc1cc(=O)[nH]c(-c2ccc(N3CCC[C@@H]3c3nc(-c4ccccc4)n[nH]3)nc2)n1 ZINC000301988257 971143965 /nfs/dbraw/zinc/14/39/65/971143965.db2.gz ZYLQBLDNTGUMOE-GOSISDBHSA-N 0 2 413.485 3.933 20 0 HHADLN O=S(=O)(Nc1cnn(Cc2ccccc2)c1)c1ccc(Br)c(F)c1 ZINC000303220395 971566635 /nfs/dbraw/zinc/56/66/35/971566635.db2.gz OENSRJZEKFNKDQ-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC[C@@](O)(C(F)(F)F)CC3)=N2)cc1 ZINC000553143623 1013103339 /nfs/dbraw/zinc/10/33/39/1013103339.db2.gz QFPQFOOEMPPMPA-IBGZPJMESA-N 0 2 411.424 3.621 20 0 HHADLN CC[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)C1 ZINC000303446592 971741348 /nfs/dbraw/zinc/74/13/48/971741348.db2.gz ZRCXDMANVVGKEW-OAHLLOKOSA-N 0 2 420.506 3.897 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccncc2)ns1)c1ccc(C2CCCCC2)cc1 ZINC000542219410 1013170154 /nfs/dbraw/zinc/17/01/54/1013170154.db2.gz SWBKKBOSXUWMQT-UHFFFAOYSA-N 0 2 400.529 3.871 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N(C)[C@@H](C)C(C)(C)C)c1 ZINC000537642609 1013201777 /nfs/dbraw/zinc/20/17/77/1013201777.db2.gz LBCKSFBEQVLRHE-AWEZNQCLSA-N 0 2 420.531 3.708 20 0 HHADLN COC(=O)c1ccccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000007050852 960993427 /nfs/dbraw/zinc/99/34/27/960993427.db2.gz UVFIVAAMLHKQCO-UHFFFAOYSA-N 0 2 410.451 3.526 20 0 HHADLN O=C(Nc1cc(F)c(F)cc1N1CCOCC1)c1cccc(Br)c1O ZINC000553287785 1013244019 /nfs/dbraw/zinc/24/40/19/1013244019.db2.gz KWDAIXNANXMCLB-UHFFFAOYSA-N 0 2 413.218 3.522 20 0 HHADLN Cc1nn(-c2cccc(Cl)c2)c2sc(C(=O)NNC(=O)c3ccccn3)cc12 ZINC000007751434 961307049 /nfs/dbraw/zinc/30/70/49/961307049.db2.gz PBPSGJNNDYDWDR-UHFFFAOYSA-N 0 2 411.874 3.519 20 0 HHADLN O=C(CC1S/C(=N\Cc2ccccc2)NC1=O)Nc1ccccc1C(F)(F)F ZINC000007883818 961362050 /nfs/dbraw/zinc/36/20/50/961362050.db2.gz QLQAAWHYRVJOTH-HNNXBMFYSA-N 0 2 407.417 3.822 20 0 HHADLN CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cc(Cl)cc(Cl)c2O)c1 ZINC000537729217 1013290230 /nfs/dbraw/zinc/29/02/30/1013290230.db2.gz CZIHTXWDNQKSHZ-UHFFFAOYSA-N 0 2 403.287 3.558 20 0 HHADLN CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)c1 ZINC000537731333 1013292579 /nfs/dbraw/zinc/29/25/79/1013292579.db2.gz UCMLSQXECBXVQO-UHFFFAOYSA-N 0 2 403.287 3.638 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000013937876 962404082 /nfs/dbraw/zinc/40/40/82/962404082.db2.gz KYOIRNGKXGMTTO-UHFFFAOYSA-N 0 2 401.332 3.875 20 0 HHADLN O=C(/C=C/c1ccccc1F)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000014906534 962603389 /nfs/dbraw/zinc/60/33/89/962603389.db2.gz LLFVYIAUGRSNMC-BJMVGYQFSA-N 0 2 403.460 3.735 20 0 HHADLN C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000015683562 962836761 /nfs/dbraw/zinc/83/67/61/962836761.db2.gz XRCUNPSWRPJJRU-AWEZNQCLSA-N 0 2 414.845 3.741 20 0 HHADLN COC(=O)C1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)CC1 ZINC000024167365 963950663 /nfs/dbraw/zinc/95/06/63/963950663.db2.gz RFJLRIAPXZAVOK-UHFFFAOYSA-N 0 2 401.463 3.588 20 0 HHADLN COC(=O)C1CC[NH+](Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)CC1 ZINC000024167365 963950668 /nfs/dbraw/zinc/95/06/68/963950668.db2.gz RFJLRIAPXZAVOK-UHFFFAOYSA-N 0 2 401.463 3.588 20 0 HHADLN CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000024429349 963999112 /nfs/dbraw/zinc/99/91/12/963999112.db2.gz RGMQJTCIJCKDAZ-UHFFFAOYSA-N 0 2 416.421 3.914 20 0 HHADLN Cc1csc(C(C#N)C(=O)Cc2csc(NC(=O)c3ccccc3F)n2)n1 ZINC000048788155 964061555 /nfs/dbraw/zinc/06/15/55/964061555.db2.gz RCQIVBOZWZTSCS-ZDUSSCGKSA-N 0 2 400.460 3.718 20 0 HHADLN O=C(COc1ccccc1F)NNC(=O)c1ccc(-c2nc3ccccc3s2)o1 ZINC000049984351 964231409 /nfs/dbraw/zinc/23/14/09/964231409.db2.gz FQTOHTWJFIUNQT-UHFFFAOYSA-N 0 2 411.414 3.535 20 0 HHADLN CCc1nc(COC(=O)CSc2[nH]c(=O)cc(C(F)(F)F)c2C#N)cs1 ZINC000028307979 965072126 /nfs/dbraw/zinc/07/21/26/965072126.db2.gz KGRAIBQASJPNPR-UHFFFAOYSA-N 0 2 403.407 3.532 20 0 HHADLN Cc1ccccc1OCCOC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1C#N ZINC000028307568 965072189 /nfs/dbraw/zinc/07/21/89/965072189.db2.gz ZIBOEKFVMCZZIY-UHFFFAOYSA-N 0 2 412.389 3.700 20 0 HHADLN Cc1ccc(OCCOC(=O)CSc2[nH]c(=O)cc(C(F)(F)F)c2C#N)cc1 ZINC000028307558 965072571 /nfs/dbraw/zinc/07/25/71/965072571.db2.gz BYQARBIHWSOUQA-UHFFFAOYSA-N 0 2 412.389 3.700 20 0 HHADLN C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)o1 ZINC000053367711 965146010 /nfs/dbraw/zinc/14/60/10/965146010.db2.gz HIJWVQASEKLNKT-KXBFYZLASA-N 0 2 408.454 3.969 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(OC(F)F)c3)cc2[nH]c1=S ZINC000053433847 965169101 /nfs/dbraw/zinc/16/91/01/965169101.db2.gz ZLNCMUZTXDYEGV-UHFFFAOYSA-N 0 2 403.410 3.725 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1cccc(C2SCCS2)c1 ZINC000028779138 965180694 /nfs/dbraw/zinc/18/06/94/965180694.db2.gz IJJPAWOFZIZXCA-UHFFFAOYSA-N 0 2 401.556 3.814 20 0 HHADLN O=C(NNC(=O)c1cccnc1Sc1ccccc1)c1cc(-c2ccccc2)on1 ZINC000053726104 965257465 /nfs/dbraw/zinc/25/74/65/965257465.db2.gz ORMSLIKPJJUCOW-UHFFFAOYSA-N 0 2 416.462 3.963 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CC(=O)NCc4ccccc4)nc(=O)c3s2)cc1 ZINC000053852605 965293135 /nfs/dbraw/zinc/29/31/35/965293135.db2.gz NZJHPOAMTVBILC-UHFFFAOYSA-N 0 2 405.479 3.519 20 0 HHADLN O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000057124011 965297224 /nfs/dbraw/zinc/29/72/24/965297224.db2.gz FECXXIWYSYIVNF-UHFFFAOYSA-N 0 2 402.422 3.696 20 0 HHADLN Cc1ccc(CCCC(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)cc1 ZINC000054032225 965360570 /nfs/dbraw/zinc/36/05/70/965360570.db2.gz HZJTYMILAHVNDK-UHFFFAOYSA-N 0 2 416.528 3.609 20 0 HHADLN Cc1c2ccccc2oc1C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1 ZINC000054032097 965360871 /nfs/dbraw/zinc/36/08/71/965360871.db2.gz BVPLQYIEPMUJTN-UHFFFAOYSA-N 0 2 414.468 3.646 20 0 HHADLN COc1ccccc1CC(=O)NNC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000057398092 965436966 /nfs/dbraw/zinc/43/69/66/965436966.db2.gz IGLKHXOXDQCVNO-UHFFFAOYSA-N 0 2 407.904 3.537 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3scnc3-c3ccccc3)cc2C[C@H]1C ZINC000538002436 1013576170 /nfs/dbraw/zinc/57/61/70/1013576170.db2.gz MNWVLMLEAVECPG-CYBMUJFWSA-N 0 2 413.524 3.908 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2nc3c(s2)COc2ccccc2-3)c1 ZINC000057689890 965523814 /nfs/dbraw/zinc/52/38/14/965523814.db2.gz MFUCENDHPMWSGT-UHFFFAOYSA-N 0 2 404.469 3.521 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccccn2)cs1)c1ccc(OC(F)(F)F)cc1 ZINC000057690406 965523913 /nfs/dbraw/zinc/52/39/13/965523913.db2.gz XRLREZVYHOVMIQ-UHFFFAOYSA-N 0 2 401.391 3.905 20 0 HHADLN Cc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)OCCO4)n2)cc1C ZINC000057720444 965529636 /nfs/dbraw/zinc/52/96/36/965529636.db2.gz PJCVYSGQPCQKKY-UHFFFAOYSA-N 0 2 402.497 3.999 20 0 HHADLN CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)sc2C)cc1 ZINC000057721104 965531343 /nfs/dbraw/zinc/53/13/43/965531343.db2.gz BYBKDONXVUUNLZ-UHFFFAOYSA-N 0 2 419.484 3.648 20 0 HHADLN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2[nH]nc(-c3ccccc3)c2C)cc1 ZINC000538007519 1013579842 /nfs/dbraw/zinc/57/98/42/1013579842.db2.gz OOVWQQFUNBFFLP-UHFFFAOYSA-N 0 2 412.515 3.668 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N(C)Cc3ccccc3OCC)cc2[nH]c1=S ZINC000054586810 965574751 /nfs/dbraw/zinc/57/47/51/965574751.db2.gz BAGWKXFIYFXPIT-UHFFFAOYSA-N 0 2 409.511 3.542 20 0 HHADLN Cc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c(C)n1-c1ccc(F)cc1 ZINC000030031617 965605390 /nfs/dbraw/zinc/60/53/90/965605390.db2.gz GYJQHYWAAQKKNF-UHFFFAOYSA-N 0 2 410.474 3.803 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cccc(NC(=O)c2cccs2)c1 ZINC000030031924 965605425 /nfs/dbraw/zinc/60/54/25/965605425.db2.gz JOWINBHOKNRSMU-UHFFFAOYSA-N 0 2 424.507 3.571 20 0 HHADLN Cc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c(C)n1-c1cccc(C)c1 ZINC000030031648 965605506 /nfs/dbraw/zinc/60/55/06/965605506.db2.gz XYLNSVHRKNINLL-UHFFFAOYSA-N 0 2 406.511 3.973 20 0 HHADLN N#C[C@@H](C(=O)Cn1c2ccccc2nc1SC(F)F)c1nnc2n1CCCCC2 ZINC000054726620 965624142 /nfs/dbraw/zinc/62/41/42/965624142.db2.gz ZJUHPAGUKXTORK-LBPRGKRZSA-N 0 2 416.457 3.545 20 0 HHADLN CC(C)CC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)nc3ccccn32)cc1 ZINC000054828890 965659173 /nfs/dbraw/zinc/65/91/73/965659173.db2.gz NMAZXOOJROWIDR-UHFFFAOYSA-N 0 2 406.895 3.773 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)N3CC[C@H](C)c4ccccc43)cc2[nH]c1=S ZINC000058457789 965740526 /nfs/dbraw/zinc/74/05/26/965740526.db2.gz DZZKBHDKDGCSKZ-HNNXBMFYSA-N 0 2 423.538 3.876 20 0 HHADLN CCCCCC/N=C1\NC(=O)C(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S1 ZINC000055117484 965760550 /nfs/dbraw/zinc/76/05/50/965760550.db2.gz QIOUURBLUNJDTB-AWEZNQCLSA-N 0 2 412.899 3.745 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)s[nH]2)c1 ZINC000542688445 1013608116 /nfs/dbraw/zinc/60/81/16/1013608116.db2.gz HYTPCWRFSWDEBN-MJGOQNOKSA-N 0 2 424.526 3.925 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3ccccc3N3CCCCC3)c(F)cc2N1 ZINC000055557047 965914688 /nfs/dbraw/zinc/91/46/88/965914688.db2.gz PPEXRINCGRIHQR-UHFFFAOYSA-N 0 2 403.479 3.502 20 0 HHADLN COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1ccccc1-c1cccs1 ZINC000055577919 965932115 /nfs/dbraw/zinc/93/21/15/965932115.db2.gz QSXQRTCWWBUBRC-UHFFFAOYSA-N 0 2 416.524 3.861 20 0 HHADLN COc1ccc(-c2nc(C(=O)NNC(=O)Nc3ccccc3C)cs2)cc1OC ZINC000058864878 965933550 /nfs/dbraw/zinc/93/35/50/965933550.db2.gz VIISJRBTUYOWCR-UHFFFAOYSA-N 0 2 412.471 3.602 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccccc1OC1CCCC1 ZINC000055632948 965978153 /nfs/dbraw/zinc/97/81/53/965978153.db2.gz BYBWCUHNJMDDLH-UHFFFAOYSA-N 0 2 404.488 3.776 20 0 HHADLN CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000055639567 965984264 /nfs/dbraw/zinc/98/42/64/965984264.db2.gz XTQZDVGSYHUEQA-UHFFFAOYSA-N 0 2 416.421 3.772 20 0 HHADLN Cc1oc(-c2cccs2)nc1C(=O)NNC(=O)CCSc1ccc(F)cc1 ZINC000059007780 965991790 /nfs/dbraw/zinc/99/17/90/965991790.db2.gz ABDVAYMXTIXUHR-UHFFFAOYSA-N 0 2 405.476 3.794 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c(Br)c1 ZINC000055663696 966007722 /nfs/dbraw/zinc/00/77/22/966007722.db2.gz QBGGWHIDUUNDSM-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN Cc1cccc(C)c1OCCC(=O)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000031485028 966031873 /nfs/dbraw/zinc/03/18/73/966031873.db2.gz LIOUZVUXENXZEG-UHFFFAOYSA-N 0 2 408.454 3.706 20 0 HHADLN CCN(CC)C(=O)COc1ccc(NS(=O)(=O)c2ccccc2F)cc1Cl ZINC000031721146 966096393 /nfs/dbraw/zinc/09/63/93/966096393.db2.gz YLMYXLDBYGZVQW-UHFFFAOYSA-N 0 2 414.886 3.527 20 0 HHADLN O=S(=O)(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccc(F)cc1F ZINC000031722406 966096466 /nfs/dbraw/zinc/09/64/66/966096466.db2.gz NZMYCZICUZUFDL-UHFFFAOYSA-N 0 2 403.332 3.970 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 ZINC000060544790 966197704 /nfs/dbraw/zinc/19/77/04/966197704.db2.gz ALKIYXURUFNCDB-UHFFFAOYSA-N 0 2 404.513 3.612 20 0 HHADLN N#CC(C(=O)COc1ccc2oc3c(c2c1)CCCC3)c1nnc2n1CCCCC2 ZINC000060851441 966309321 /nfs/dbraw/zinc/30/93/21/966309321.db2.gz WXPIKMYRIYTXFF-SFHVURJKSA-N 0 2 404.470 3.885 20 0 HHADLN COCCN(Cc1ccccc1)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000542730604 1013643187 /nfs/dbraw/zinc/64/31/87/1013643187.db2.gz XOHHXDVGWIUOKY-UHFFFAOYSA-N 0 2 402.907 3.961 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000542730934 1013643249 /nfs/dbraw/zinc/64/32/49/1013643249.db2.gz XXPSZBVWRZMMPI-HNNXBMFYSA-N 0 2 414.918 3.756 20 0 HHADLN O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)NNC(=O)c1ccccn1 ZINC000061341615 966435930 /nfs/dbraw/zinc/43/59/30/966435930.db2.gz HLXZEBBOZXBFRZ-UHFFFAOYSA-N 0 2 407.282 3.516 20 0 HHADLN COc1ccc(C(=O)NNC(=O)c2ccc(-c3nc4ccccc4s3)o2)cc1OC ZINC000036892637 966470843 /nfs/dbraw/zinc/47/08/43/966470843.db2.gz PTPWRAIIVFSQMH-UHFFFAOYSA-N 0 2 423.450 3.648 20 0 HHADLN Cc1ccc2c(c1)CC[C@@H]2NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000056842208 966489770 /nfs/dbraw/zinc/48/97/70/966489770.db2.gz XBUNTNURPZDUFF-FQEVSTJZSA-N 0 2 405.454 3.799 20 0 HHADLN Cc1csc(C(C#N)C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)n1 ZINC000041515367 966584591 /nfs/dbraw/zinc/58/45/91/966584591.db2.gz NXIXLIOLZVYSBM-ZFWWWQNUSA-N 0 2 419.453 3.782 20 0 HHADLN Cc1csc([C@@H](C#N)C(=O)[C@H]2CCCN(C(=O)c3ccccc3OC(F)F)C2)n1 ZINC000041515367 966584597 /nfs/dbraw/zinc/58/45/97/966584597.db2.gz NXIXLIOLZVYSBM-ZFWWWQNUSA-N 0 2 419.453 3.782 20 0 HHADLN COCCOC(=O)Nc1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000063181569 966770299 /nfs/dbraw/zinc/77/02/99/966770299.db2.gz NUZQWPZKGLJVSU-UHFFFAOYSA-N 0 2 419.286 3.989 20 0 HHADLN O=C(Nc1ccc(CN2C(=O)Cc3ccc(Cl)cc32)cc1)c1ccc2[nH]nnc2c1 ZINC000063262156 966795605 /nfs/dbraw/zinc/79/56/05/966795605.db2.gz YGGFCEGWWBCXCS-UHFFFAOYSA-N 0 2 417.856 3.953 20 0 HHADLN N#C[C@H](C(=O)CCN1C(=O)c2ccccc2C1=O)c1nc(-c2ccccc2)cs1 ZINC000042651106 966820313 /nfs/dbraw/zinc/82/03/13/966820313.db2.gz VGCJEKZGNDWKQV-QGZVFWFLSA-N 0 2 401.447 3.673 20 0 HHADLN Cn1c2ccccc2nc1[C@H]1CCCCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000542785405 1013680936 /nfs/dbraw/zinc/68/09/36/1013680936.db2.gz WEQYYYZEKMLZMX-LJQANCHMSA-N 0 2 419.460 3.971 20 0 HHADLN COc1ccc(-c2nc(SCc3nc(CCC(C)C)no3)[nH]c(=O)c2C#N)cc1 ZINC000063429770 966853389 /nfs/dbraw/zinc/85/33/89/966853389.db2.gz HIFQBBKCWDXKCY-UHFFFAOYSA-N 0 2 411.487 3.993 20 0 HHADLN O=C(Cc1nc(=O)c2sc(-c3cccc(Br)c3)cc2[nH]1)N1CCCC1 ZINC000063581097 966894563 /nfs/dbraw/zinc/89/45/63/966894563.db2.gz JPMHTKSZQBMYMT-UHFFFAOYSA-N 0 2 418.316 3.579 20 0 HHADLN Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1csc(CC(C)C)n1 ZINC000063636388 966913056 /nfs/dbraw/zinc/91/30/56/966913056.db2.gz SZHWQGTVXJQZHB-UHFFFAOYSA-N 0 2 400.529 3.848 20 0 HHADLN C[C@@H](C(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)n1cccn1 ZINC000064026626 967027873 /nfs/dbraw/zinc/02/78/73/967027873.db2.gz KLKPHMURVFBMKD-LBPRGKRZSA-N 0 2 422.869 3.676 20 0 HHADLN O=S(=O)(Nc1nc2ccc(Cl)cc2s1)c1cncc(Br)c1 ZINC000044243523 967174000 /nfs/dbraw/zinc/17/40/00/967174000.db2.gz ZTGHGUJGGUILIX-UHFFFAOYSA-N 0 2 404.698 3.908 20 0 HHADLN O=c1[nH]nc(CSc2nc3ccccc3c(=O)n2-c2ccccc2C(F)(F)F)[nH]1 ZINC000538147694 1013706969 /nfs/dbraw/zinc/70/69/69/1013706969.db2.gz KFCWCXQBPPPBOS-UHFFFAOYSA-N 0 2 419.388 3.521 20 0 HHADLN O=C(CCc1cc(F)ccc1F)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000064671870 967266546 /nfs/dbraw/zinc/26/65/46/967266546.db2.gz XIURBMAYRNUMDI-UHFFFAOYSA-N 0 2 423.466 3.793 20 0 HHADLN N#C[C@@H](C(=O)CCNC(=O)c1ccco1)c1nc(-c2c(F)cccc2F)cs1 ZINC000064714510 967273950 /nfs/dbraw/zinc/27/39/50/967273950.db2.gz DYUAUARPSZKJRB-NSHDSACASA-N 0 2 401.394 3.678 20 0 HHADLN CCO[C@H](C)C(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000064856814 967313379 /nfs/dbraw/zinc/31/33/79/967313379.db2.gz WBSYUGHOMPFWRU-LLVKDONJSA-N 0 2 400.859 3.643 20 0 HHADLN O=C(NCCc1cccs1)NNC(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000065198055 967403383 /nfs/dbraw/zinc/40/33/83/967403383.db2.gz KAYXXELRMPLUES-UHFFFAOYSA-N 0 2 412.949 3.773 20 0 HHADLN C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(-c3ccccc3F)o2)C1=O ZINC000045579638 967501901 /nfs/dbraw/zinc/50/19/01/967501901.db2.gz NEVSVMWFWJIUSP-QHCPKHFHSA-N 0 2 421.428 3.674 20 0 HHADLN COc1ccccc1NC(=S)NNC(=O)c1cc(-c2ccccc2Cl)on1 ZINC000046583859 967868844 /nfs/dbraw/zinc/86/88/44/967868844.db2.gz WWEMPRKIZQYLNJ-UHFFFAOYSA-N 0 2 402.863 3.635 20 0 HHADLN O=C(NNc1nnc(-c2ccccc2)n1-c1ccccc1)c1c(O)cc(F)cc1F ZINC000066045308 968780549 /nfs/dbraw/zinc/78/05/49/968780549.db2.gz QKKPJWTURLBFMW-UHFFFAOYSA-N 0 2 407.380 3.675 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c1 ZINC000538298053 1013833761 /nfs/dbraw/zinc/83/37/61/1013833761.db2.gz DCEBFNRSGHRWHS-MHZLTWQESA-N 0 2 417.508 3.509 20 0 HHADLN C[C@@H](C(=O)Nc1cccc(NS(=O)(=O)c2cccc(Cl)c2F)c1)n1cccn1 ZINC000071975849 968919035 /nfs/dbraw/zinc/91/90/35/968919035.db2.gz XFAWYEGECUARBZ-LBPRGKRZSA-N 0 2 422.869 3.676 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)ccc1Br ZINC000071977795 968919654 /nfs/dbraw/zinc/91/96/54/968919654.db2.gz HMGYEHSAHYUVQG-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3ccccc3OCCn3cc[nH+]c3)n2)c1 ZINC000538312246 1013843310 /nfs/dbraw/zinc/84/33/10/1013843310.db2.gz OKEDJBLJMOQYEO-UHFFFAOYSA-N 0 2 421.432 3.553 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1c(F)cccc1Cl ZINC000096504110 969045069 /nfs/dbraw/zinc/04/50/69/969045069.db2.gz GRPSMDRSVKKMQE-UHFFFAOYSA-N 0 2 411.867 3.989 20 0 HHADLN CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000097548692 969156903 /nfs/dbraw/zinc/15/69/03/969156903.db2.gz IABRFLOHYRLQKK-UHFFFAOYSA-N 0 2 400.859 3.888 20 0 HHADLN CC[C@@H](OC)C(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000109342059 969502468 /nfs/dbraw/zinc/50/24/68/969502468.db2.gz DSESBAYZMYLQRS-OAHLLOKOSA-N 0 2 400.859 3.643 20 0 HHADLN Cn1c(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc2ccccc21 ZINC000201637913 970005240 /nfs/dbraw/zinc/00/52/40/970005240.db2.gz NITDVBLDJHYSMP-UHFFFAOYSA-N 0 2 412.496 3.688 20 0 HHADLN O=C(C1=NN(c2ccccc2)CC1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000216175872 970064917 /nfs/dbraw/zinc/06/49/17/970064917.db2.gz OUIVGUYLPGUVND-UHFFFAOYSA-N 0 2 416.403 3.559 20 0 HHADLN Cc1cccc2cc(C(=O)Nc3nnc(NS(=O)(=O)c4ccccc4)s3)oc21 ZINC000140769023 970086085 /nfs/dbraw/zinc/08/60/85/970086085.db2.gz NJLPMZXBUDUMQA-UHFFFAOYSA-N 0 2 414.468 3.646 20 0 HHADLN O=C([O-])C1(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)CC1 ZINC000554482287 1013965424 /nfs/dbraw/zinc/96/54/24/1013965424.db2.gz DMFJNXPMKLPTJB-UHFFFAOYSA-N 0 2 404.919 3.578 20 0 HHADLN O=C(NCCc1cccc(Cl)c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000149008362 970379167 /nfs/dbraw/zinc/37/91/67/970379167.db2.gz BGSHEOKDVRDBHQ-UHFFFAOYSA-N 0 2 421.931 3.570 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(C)c(Br)c1 ZINC000195564357 970515728 /nfs/dbraw/zinc/51/57/28/970515728.db2.gz WKXCEQLRQIDRKP-UHFFFAOYSA-N 0 2 402.266 3.555 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccccc2O[C@H](C)C(F)(F)F)c1 ZINC000554689468 1014014240 /nfs/dbraw/zinc/01/42/40/1014014240.db2.gz KTFIPTYNEBPPDC-GFCCVEGCSA-N 0 2 419.421 3.972 20 0 HHADLN Cc1cc(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)ncn1 ZINC000554693023 1014014953 /nfs/dbraw/zinc/01/49/53/1014014953.db2.gz QGFBHKYORGROFM-UHFFFAOYSA-N 0 2 420.853 3.631 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NC[C@H]3CCCO[C@@H]3c3ccccc3)cc2[nH]c1=S ZINC000261378310 970634507 /nfs/dbraw/zinc/63/45/07/970634507.db2.gz HIQZJAPTOJPTJD-YLJYHZDGSA-N 0 2 423.538 3.603 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1cc(Br)ccc1C ZINC000317541689 972656076 /nfs/dbraw/zinc/65/60/76/972656076.db2.gz AXHWNOVWELZCIK-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccc2)o1)c1ccc(Br)cc1Cl ZINC000320764620 972684024 /nfs/dbraw/zinc/68/40/24/972684024.db2.gz GMPLDPZWRYMCPF-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1C ZINC000322519149 972700825 /nfs/dbraw/zinc/70/08/25/972700825.db2.gz SGIABZVEGNSCPK-UHFFFAOYSA-N 0 2 401.257 3.656 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(Br)c(Cl)c1 ZINC000323098048 972707198 /nfs/dbraw/zinc/70/71/98/972707198.db2.gz LWFFUKUBEVNHLH-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN Cc1nc(Br)ccc1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000323154592 972708693 /nfs/dbraw/zinc/70/86/93/972708693.db2.gz OPPPDTJOHPUVBN-UHFFFAOYSA-N 0 2 411.199 3.852 20 0 HHADLN CNC(=O)c1cccc(NS(=O)(=O)c2c(Cl)cccc2Br)c1C ZINC000323836333 972715698 /nfs/dbraw/zinc/71/56/98/972715698.db2.gz VCMBWIPZFHMLMS-UHFFFAOYSA-N 0 2 417.712 3.571 20 0 HHADLN O=S(=O)(Nc1ccc(N2CCCC2)nc1)c1c(Cl)cccc1Br ZINC000323880211 972717089 /nfs/dbraw/zinc/71/70/89/972717089.db2.gz GGTKCHBFQSQUOQ-UHFFFAOYSA-N 0 2 416.728 3.899 20 0 HHADLN O=C1NCCN1c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000327459291 972758158 /nfs/dbraw/zinc/75/81/58/972758158.db2.gz ZHZBDPKMQCVKFD-UHFFFAOYSA-N 0 2 420.705 3.977 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2cccc(Br)c2)cc1 ZINC000409456238 972901150 /nfs/dbraw/zinc/90/11/50/972901150.db2.gz KKEBVJBTPDAPCS-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)sc1Cc1ccc(C)cc1 ZINC000409532149 972988468 /nfs/dbraw/zinc/98/84/68/972988468.db2.gz CPZMFGLIDQBPDT-UHFFFAOYSA-N 0 2 415.540 3.559 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1cnc2ccccc2n1 ZINC000409544449 973001508 /nfs/dbraw/zinc/00/15/08/973001508.db2.gz SGKOYRILMPFXQH-UHFFFAOYSA-N 0 2 413.210 3.569 20 0 HHADLN COCCOc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)cc1 ZINC000409579903 973029697 /nfs/dbraw/zinc/02/96/97/973029697.db2.gz DWIMUGACIKKHRM-UHFFFAOYSA-N 0 2 409.552 3.762 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)C1(c2cncc(Br)c2)CC1 ZINC000409672203 973133497 /nfs/dbraw/zinc/13/34/97/973133497.db2.gz PMSQZZDBQQRJEU-UHFFFAOYSA-N 0 2 407.318 3.516 20 0 HHADLN CC1CCN(Cc2csc(NS(=O)(=O)c3cccc4c3OC(C)(C)C4)n2)CC1 ZINC000410327555 973889604 /nfs/dbraw/zinc/88/96/04/973889604.db2.gz RUASUESAKALCMT-UHFFFAOYSA-N 0 2 421.588 3.889 20 0 HHADLN COCc1cccc2sc(NS(=O)(=O)c3cccc4c3OC(C)(C)C4)nc21 ZINC000410340170 973923515 /nfs/dbraw/zinc/92/35/15/973923515.db2.gz MPKOHQVFCFQIFZ-UHFFFAOYSA-N 0 2 404.513 3.957 20 0 HHADLN COc1ccc(Br)c(CS(=O)(=O)NCC(F)(F)c2ccccc2)c1 ZINC000410415530 974013994 /nfs/dbraw/zinc/01/39/94/974013994.db2.gz UXJXFKPNSPHOKM-UHFFFAOYSA-N 0 2 420.275 3.669 20 0 HHADLN Cc1ccc(-c2ccnn2C)cc1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000410415752 974014555 /nfs/dbraw/zinc/01/45/55/974014555.db2.gz DVNWXNKGAJSHKP-UHFFFAOYSA-N 0 2 411.462 3.521 20 0 HHADLN CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000425939329 974049042 /nfs/dbraw/zinc/04/90/42/974049042.db2.gz BZZONOCHTLRQMN-UHFFFAOYSA-N 0 2 417.314 3.895 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1cccc(NC(=O)C2CCCCC2)c1 ZINC000425966423 974070108 /nfs/dbraw/zinc/07/01/08/974070108.db2.gz LGPMCYOUUMCZPO-UHFFFAOYSA-N 0 2 422.528 3.854 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)CCC3)cc1Cl ZINC000425972748 974080642 /nfs/dbraw/zinc/08/06/42/974080642.db2.gz ZXZBLXRFDDKPGL-UHFFFAOYSA-N 0 2 410.854 3.757 20 0 HHADLN COc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccccc1-c1ccccc1 ZINC000426003942 974118655 /nfs/dbraw/zinc/11/86/55/974118655.db2.gz MUPQULHYRXSYKX-UHFFFAOYSA-N 0 2 410.495 3.865 20 0 HHADLN COc1cccc(CSC[C@@H]([NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C(=O)[O-])c1 ZINC000426754540 974637282 /nfs/dbraw/zinc/63/72/82/974637282.db2.gz RBXQJTZWBPJSLE-SUMWQHHRSA-N 0 2 406.573 3.753 20 0 HHADLN Cc1cnn(C[C@H]([NH2+]Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C(=O)[O-])c1 ZINC000426756991 974637921 /nfs/dbraw/zinc/63/79/21/974637921.db2.gz BHMWWWVBGRAZMP-AWEZNQCLSA-N 0 2 411.314 3.865 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(Cc2cccs2)C[C@H]2CCCO2)=N1 ZINC000426990417 974803768 /nfs/dbraw/zinc/80/37/68/974803768.db2.gz IFCNGYISERCVFZ-MRXNPFEDSA-N 0 2 415.490 3.908 20 0 HHADLN O=C1CCCN1c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1 ZINC000427112745 974913606 /nfs/dbraw/zinc/91/36/06/974913606.db2.gz DYYSNBRVAWFNHI-UHFFFAOYSA-N 0 2 418.368 3.652 20 0 HHADLN COc1cc(C)c(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1OC ZINC000427122178 974921125 /nfs/dbraw/zinc/92/11/25/974921125.db2.gz ALKFUWGOVVORLJ-UHFFFAOYSA-N 0 2 409.357 3.851 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)s1 ZINC000427331281 975057973 /nfs/dbraw/zinc/05/79/73/975057973.db2.gz PJRAZRZDTPNJJC-UHFFFAOYSA-N 0 2 422.553 3.799 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NCCc2cccc(OCc3ccccc3)c2)cn1 ZINC000427531709 975165412 /nfs/dbraw/zinc/16/54/12/975165412.db2.gz SUBYCJOCETVEIH-UHFFFAOYSA-N 0 2 415.497 3.845 20 0 HHADLN O=S(=O)(Nc1ccc(N2CCCCC2)nc1)c1cccc(OC(F)(F)F)c1F ZINC000427755767 975270427 /nfs/dbraw/zinc/27/04/27/975270427.db2.gz FVGHEDSMSNLNRT-UHFFFAOYSA-N 0 2 419.400 3.910 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(-c3ccc(Cl)s3)nc2)cnc1C ZINC000427781241 975284446 /nfs/dbraw/zinc/28/44/46/975284446.db2.gz KQKKYZPJFAFXCF-UHFFFAOYSA-N 0 2 423.903 3.754 20 0 HHADLN O=S(=O)(Nc1nccc(-c2ccco2)n1)c1cccc(OC(F)(F)F)c1F ZINC000427780578 975284455 /nfs/dbraw/zinc/28/44/55/975284455.db2.gz RBIXKGOBTLCFEW-UHFFFAOYSA-N 0 2 403.313 3.575 20 0 HHADLN Cc1ccc(Cn2nccc2NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)o1 ZINC000427783780 975286118 /nfs/dbraw/zinc/28/61/18/975286118.db2.gz ZSBVUOATOFQNLP-UHFFFAOYSA-N 0 2 419.356 3.671 20 0 HHADLN O=C(Nc1nc2ccc(F)cc2[nH]1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000428038926 975401069 /nfs/dbraw/zinc/40/10/69/975401069.db2.gz PEYBAAUYSFMKJK-UHFFFAOYSA-N 0 2 410.430 3.755 20 0 HHADLN O=C(Nc1cc(Cl)ccc1OC1CCCC1)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000428880351 976171346 /nfs/dbraw/zinc/17/13/46/976171346.db2.gz JFPMOJSVOMJOLA-UHFFFAOYSA-N 0 2 400.822 3.663 20 0 HHADLN CN(C(=O)N=c1nc(C(C)(C)C)[nH]s1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000429086020 976371586 /nfs/dbraw/zinc/37/15/86/976371586.db2.gz SYVRMGFRQZCYCS-OAHLLOKOSA-N 0 2 416.938 3.954 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2noc(-c3ccccc3Cl)n2)cc1OC ZINC000430067113 977305967 /nfs/dbraw/zinc/30/59/67/977305967.db2.gz BWWPGTPNXZZGFE-UHFFFAOYSA-N 0 2 409.851 3.516 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)c(CN2CCOCC2)c1)c1ccc(Cl)cc1F ZINC000430359847 977501799 /nfs/dbraw/zinc/50/17/99/977501799.db2.gz WOMRJIZEBUXQAC-UHFFFAOYSA-N 0 2 419.305 3.766 20 0 HHADLN O=C(Nc1nc(-c2ccco2)n[nH]1)c1cnc2ccc(Oc3ccccc3)cc2c1O ZINC000430437063 977548674 /nfs/dbraw/zinc/54/86/74/977548674.db2.gz JEUGRKNUKZZQID-UHFFFAOYSA-N 0 2 413.393 3.951 20 0 HHADLN CC[C@H](NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)[C@H](O)C(F)(F)F ZINC000430588075 977646257 /nfs/dbraw/zinc/64/62/57/977646257.db2.gz BUQRUPAPWTVTTJ-LPHOPBHVSA-N 0 2 420.387 3.752 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1CC[C@H](c2ccccc2F)C1 ZINC000430900383 977867685 /nfs/dbraw/zinc/86/76/85/977867685.db2.gz NTDWGHQGLNFNLF-HOTGVXAUSA-N 0 2 409.465 3.658 20 0 HHADLN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)n1 ZINC000432328540 978762774 /nfs/dbraw/zinc/76/27/74/978762774.db2.gz XEEFIHCDDVMNKS-UHFFFAOYSA-N 0 2 421.432 3.553 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)ccc1F ZINC000432351708 978772646 /nfs/dbraw/zinc/77/26/46/978772646.db2.gz PTXIQUFOQXWKGL-UHFFFAOYSA-N 0 2 409.439 3.848 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccc(F)cc2)s1)c1ccc2c(c1)OCCCO2 ZINC000432355787 978774880 /nfs/dbraw/zinc/77/48/80/978774880.db2.gz GLMAYCPESNQAPU-UHFFFAOYSA-N 0 2 406.460 3.911 20 0 HHADLN Cc1ccc(-n2nc(C(C)C)cc2NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000432359220 978776795 /nfs/dbraw/zinc/77/67/95/978776795.db2.gz PUMCPKLVQBNSQD-UHFFFAOYSA-N 0 2 422.510 3.946 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2noc(Cc3ccccc3)n2)c(Cl)c1Cl ZINC000432964851 979027209 /nfs/dbraw/zinc/02/72/09/979027209.db2.gz JPZYIPQOKCGFEL-UHFFFAOYSA-N 0 2 414.270 3.777 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2cc(C)nn2-c2ccc(C)nn2)cc1C(C)C ZINC000432967961 979028401 /nfs/dbraw/zinc/02/84/01/979028401.db2.gz STMLIBAACAKTQH-UHFFFAOYSA-N 0 2 415.519 3.520 20 0 HHADLN CC(C)n1nc(-c2ccco2)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000433120133 979083256 /nfs/dbraw/zinc/08/32/56/979083256.db2.gz XSFARIHUKAWXOZ-UHFFFAOYSA-N 0 2 414.487 3.652 20 0 HHADLN COCCOc1ccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)cc1 ZINC000433146390 979098347 /nfs/dbraw/zinc/09/83/47/979098347.db2.gz LGKVXAXOZGSPRK-UHFFFAOYSA-N 0 2 405.476 3.550 20 0 HHADLN O=S(=O)(Nc1nccc(-c2cncc(F)c2)n1)c1cc(Cl)sc1Cl ZINC000433145506 979098360 /nfs/dbraw/zinc/09/83/60/979098360.db2.gz QPOBGULUFMAGRR-UHFFFAOYSA-N 0 2 405.263 3.847 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cc(-c2ccco2)nn1C(C)C ZINC000433146323 979098439 /nfs/dbraw/zinc/09/84/39/979098439.db2.gz UUGOPXADBUTPCZ-UHFFFAOYSA-N 0 2 405.524 3.994 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(O[C@H]3CCOC3)cc2)sc1Br ZINC000433486024 979331475 /nfs/dbraw/zinc/33/14/75/979331475.db2.gz CCHISKDGXVGFGJ-ZDUSSCGKSA-N 0 2 418.334 3.788 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1C(=O)N(C)C ZINC000433508040 979344916 /nfs/dbraw/zinc/34/49/16/979344916.db2.gz DXKCZTIYTSCIGI-UHFFFAOYSA-N 0 2 404.385 3.656 20 0 HHADLN Cc1ccn(C2CCN(C(=O)N=c3nc(-c4ccccc4Cl)[nH]s3)CC2)n1 ZINC000433556954 979381519 /nfs/dbraw/zinc/38/15/19/979381519.db2.gz ABABPZCVVURICM-UHFFFAOYSA-N 0 2 402.911 3.654 20 0 HHADLN O=S(=O)(Nc1ccccc1-n1ccnn1)c1cc(Br)sc1Cl ZINC000433607399 979420796 /nfs/dbraw/zinc/42/07/96/979420796.db2.gz WRPYNCXEYWHATD-UHFFFAOYSA-N 0 2 419.713 3.546 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000433608664 979422379 /nfs/dbraw/zinc/42/23/79/979422379.db2.gz OIYPYTRPYWIKOF-UHFFFAOYSA-N 0 2 410.698 3.751 20 0 HHADLN COC(=O)Cc1ccc(NS(=O)(=O)c2cc(Br)sc2Cl)cc1 ZINC000433611177 979424027 /nfs/dbraw/zinc/42/40/27/979424027.db2.gz ZMWKFPCLZSWIAJ-UHFFFAOYSA-N 0 2 424.725 3.680 20 0 HHADLN Cc1cc(C)cc(CN(C)C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000434345321 980107384 /nfs/dbraw/zinc/10/73/84/980107384.db2.gz XUHWECSGWMWBSC-UHFFFAOYSA-N 0 2 415.540 3.833 20 0 HHADLN O=S(=O)(Nc1ccc(N2CCCCC2)cn1)c1cc(F)ccc1Br ZINC000434966720 980537798 /nfs/dbraw/zinc/53/77/98/980537798.db2.gz CLQSBMMGZPTAEE-UHFFFAOYSA-N 0 2 414.300 3.774 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(-c3cc(C)c(C)cc3C)n[nH]2)ccc1F ZINC000434970100 980540395 /nfs/dbraw/zinc/54/03/95/980540395.db2.gz WZDXCDOYHMUQBC-UHFFFAOYSA-N 0 2 416.478 3.900 20 0 HHADLN CN(C)C(=O)Nc1ccc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)c(Cl)c1 ZINC000435069381 980612796 /nfs/dbraw/zinc/61/27/96/980612796.db2.gz YMQCPGJSLRVAFD-UHFFFAOYSA-N 0 2 401.879 3.626 20 0 HHADLN CC(C)c1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)nn1-c1ccccc1 ZINC000435102102 980639589 /nfs/dbraw/zinc/63/95/89/980639589.db2.gz GBFLJGDYGQIMIB-UHFFFAOYSA-N 0 2 407.499 3.978 20 0 HHADLN Cc1nnc(-c2ccccc2NS(=O)(=O)c2cccc(C)c2Br)o1 ZINC000435129122 980660392 /nfs/dbraw/zinc/66/03/92/980660392.db2.gz HVVNKRSBPYKLHH-UHFFFAOYSA-N 0 2 408.277 3.917 20 0 HHADLN COCCOc1ccccc1NS(=O)(=O)c1cccc(C)c1Br ZINC000435134296 980665516 /nfs/dbraw/zinc/66/55/16/980665516.db2.gz HHDGXGYPJVUERS-UHFFFAOYSA-N 0 2 400.294 3.584 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)nc1C ZINC000435199680 980716983 /nfs/dbraw/zinc/71/69/83/980716983.db2.gz ZCMHFRSJAXJRQQ-UHFFFAOYSA-N 0 2 402.906 3.907 20 0 HHADLN COc1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1NC(C)=O ZINC000435484391 980895795 /nfs/dbraw/zinc/89/57/95/980895795.db2.gz PNUGHWKJZIEXAA-UHFFFAOYSA-N 0 2 407.250 3.900 20 0 HHADLN Cn1cnnc1-c1cccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435500999 980905555 /nfs/dbraw/zinc/90/55/55/980905555.db2.gz JNKBXXJHIOKCIS-UHFFFAOYSA-N 0 2 401.250 3.729 20 0 HHADLN Cc1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)n(-c2ccccn2)n1 ZINC000435713010 980996804 /nfs/dbraw/zinc/99/68/04/980996804.db2.gz ABQFLZYEOCTFDP-UHFFFAOYSA-N 0 2 401.250 3.822 20 0 HHADLN COc1cccc(C)c1NS(=O)(=O)c1cc(OC)c(OC)cc1Br ZINC000435719110 981000742 /nfs/dbraw/zinc/00/07/42/981000742.db2.gz INYAMDXBOKITKS-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN O=S(=O)(Nc1cccc(OCc2cscn2)c1)c1cnc(-c2ccccc2)nc1 ZINC000436007277 981149329 /nfs/dbraw/zinc/14/93/29/981149329.db2.gz MPAXWUHNTXXZQT-UHFFFAOYSA-N 0 2 424.507 3.980 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)c1 ZINC000436155637 981225129 /nfs/dbraw/zinc/22/51/29/981225129.db2.gz QNKCIDAIPMOJRP-UHFFFAOYSA-N 0 2 416.396 3.776 20 0 HHADLN O=C1CCc2cc(NS(=O)(=O)c3cc(F)ccc3F)ccc2N1CC(F)(F)F ZINC000436160764 981227704 /nfs/dbraw/zinc/22/77/04/981227704.db2.gz LYCLQSBARRYIFI-UHFFFAOYSA-N 0 2 420.359 3.607 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000436163968 981229165 /nfs/dbraw/zinc/22/91/65/981229165.db2.gz XUSHBWUYCPUARO-UHFFFAOYSA-N 0 2 409.407 3.585 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c(OC)c1 ZINC000436185992 981240841 /nfs/dbraw/zinc/24/08/41/981240841.db2.gz NOBGXRLGOOZXBL-UHFFFAOYSA-N 0 2 420.270 3.598 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2cc(-c3cc(C)ccc3F)[nH]n2)cc1 ZINC000436203266 981248480 /nfs/dbraw/zinc/24/84/80/981248480.db2.gz YRNMQAOSEMFELX-UHFFFAOYSA-N 0 2 419.478 3.740 20 0 HHADLN COc1cc(Cl)c(C(=O)CSc2nc(O)cc(=O)n2C2CCCC2)cc1OC ZINC000436211895 981252062 /nfs/dbraw/zinc/25/20/62/981252062.db2.gz RZLDEFRVVCBEFY-UHFFFAOYSA-N 0 2 424.906 3.710 20 0 HHADLN Cc1nc(C2(NC(=O)C3=NN(c4ccc(Cl)cc4)CC3=O)CCCCC2)no1 ZINC000436435679 981368010 /nfs/dbraw/zinc/36/80/10/981368010.db2.gz YCABRQTXIXVBOH-UHFFFAOYSA-N 0 2 401.854 3.512 20 0 HHADLN O=C(Nc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)c1)C1CC1 ZINC000436477680 981393951 /nfs/dbraw/zinc/39/39/51/981393951.db2.gz JSOMCOPRCCKOPR-UHFFFAOYSA-N 0 2 400.378 3.560 20 0 HHADLN CC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(Cl)cc2Br)c1 ZINC000436487133 981397498 /nfs/dbraw/zinc/39/74/98/981397498.db2.gz JXRGKCJSIITMHF-UHFFFAOYSA-N 0 2 404.669 3.812 20 0 HHADLN CCc1cnc(NC(=O)NCC[C@H]2C(=O)N(Cc3ccccc3C)N=C2CC)s1 ZINC000436520674 981414436 /nfs/dbraw/zinc/41/44/36/981414436.db2.gz XBXGXLRSLSKZOO-QGZVFWFLSA-N 0 2 413.547 3.950 20 0 HHADLN COc1cccc(-c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)c1O ZINC000436521630 981415080 /nfs/dbraw/zinc/41/50/80/981415080.db2.gz NRXYVYCKIPIEBR-UHFFFAOYSA-N 0 2 414.219 3.665 20 0 HHADLN O=C(Nc1ccc(F)c(Cl)c1)C1CCN(C(=O)c2cc(F)c(O)c(F)c2)CC1 ZINC000436522749 981415970 /nfs/dbraw/zinc/41/59/70/981415970.db2.gz NQCOETKGJVXDJN-UHFFFAOYSA-N 0 2 412.795 3.954 20 0 HHADLN CNC(=O)c1cc(Oc2cc(NC(=O)c3cc(F)c(O)c(F)c3)ccc2C)ccn1 ZINC000436523243 981416013 /nfs/dbraw/zinc/41/60/13/981416013.db2.gz REXINBSBLSTMIP-UHFFFAOYSA-N 0 2 413.380 3.778 20 0 HHADLN COC(=O)CCc1nnc(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)s1 ZINC000436529013 981421947 /nfs/dbraw/zinc/42/19/47/981421947.db2.gz NNDDNNREFMJWBI-UHFFFAOYSA-N 0 2 417.874 3.922 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000436623462 981480370 /nfs/dbraw/zinc/48/03/70/981480370.db2.gz ZLMJVHZFTHEHGK-SNVBAGLBSA-N 0 2 405.079 3.745 20 0 HHADLN CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(F)c(O)c(F)c1 ZINC000436635594 981485794 /nfs/dbraw/zinc/48/57/94/981485794.db2.gz MHHFSIJRSODWLB-UHFFFAOYSA-N 0 2 402.319 3.579 20 0 HHADLN O=C(NCCc1nnc(-c2ccccc2)o1)c1cc(Cl)cc(Br)c1O ZINC000436637993 981487863 /nfs/dbraw/zinc/48/78/63/981487863.db2.gz DFDWIVWEGXHNMI-UHFFFAOYSA-N 0 2 422.666 3.831 20 0 HHADLN O=C(NC[C@@H]1CCN(c2ccccc2F)C1)c1cc(F)cc(Br)c1O ZINC000436641565 981489621 /nfs/dbraw/zinc/48/96/21/981489621.db2.gz OHTPYNHHDNWMHS-NSHDSACASA-N 0 2 411.246 3.689 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CC[C@@](CO)(c2ccccc2)C1 ZINC000436655574 981494591 /nfs/dbraw/zinc/49/45/91/981494591.db2.gz JHNWAOIATPSTSP-GOSISDBHSA-N 0 2 410.695 3.584 20 0 HHADLN O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000436675997 981506032 /nfs/dbraw/zinc/50/60/32/981506032.db2.gz ZHZLXDFXMOLJRP-UHFFFAOYSA-N 0 2 420.694 3.983 20 0 HHADLN CC(C)n1cc2c(n1)C[C@H](NC(=O)c1cc(Cl)cc(Br)c1O)CC2 ZINC000436715433 981527473 /nfs/dbraw/zinc/52/74/73/981527473.db2.gz LBPBBQTWRRANMX-GFCCVEGCSA-N 0 2 412.715 3.873 20 0 HHADLN Cc1ccc(Br)cc1NC(=O)CNC(=O)c1cc(F)cc(Cl)c1O ZINC000436747674 981543325 /nfs/dbraw/zinc/54/33/25/981543325.db2.gz BNPNJHYIMJTXGU-UHFFFAOYSA-N 0 2 415.646 3.624 20 0 HHADLN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1 ZINC000436773666 981555650 /nfs/dbraw/zinc/55/56/50/981555650.db2.gz PZEQPMQIRIWUHA-JTQLQIEISA-N 0 2 412.248 3.724 20 0 HHADLN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)c1cc(F)cc(Cl)c1O ZINC000436776418 981556661 /nfs/dbraw/zinc/55/66/61/981556661.db2.gz VJQRIKPFEQJYGV-ZDUSSCGKSA-N 0 2 419.884 3.932 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000436778558 981557558 /nfs/dbraw/zinc/55/75/58/981557558.db2.gz RBRLQLHYLWEIBI-UHFFFAOYSA-N 0 2 415.223 3.575 20 0 HHADLN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1cc(F)cc(Cl)c1O ZINC000436790365 981562517 /nfs/dbraw/zinc/56/25/17/981562517.db2.gz OBHAWFRQUVJSDX-UHFFFAOYSA-N 0 2 415.248 3.914 20 0 HHADLN Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc(F)cc(Cl)c3O)CC2)cc1 ZINC000436793166 981564277 /nfs/dbraw/zinc/56/42/77/981564277.db2.gz ZROQUJLVDXAZLX-UHFFFAOYSA-N 0 2 404.869 3.662 20 0 HHADLN CC(=O)N1CC[NH+](Cc2ccc(NC(=O)c3c([O-])cc(Cl)cc3Cl)cc2)CC1 ZINC000436812243 981572344 /nfs/dbraw/zinc/57/23/44/981572344.db2.gz AWQDUQGLVDYSPE-UHFFFAOYSA-N 0 2 422.312 3.615 20 0 HHADLN O=C(NCCc1nc(C(F)(F)F)cs1)c1cc(F)cc(Br)c1O ZINC000436855594 981593412 /nfs/dbraw/zinc/59/34/12/981593412.db2.gz VRFQPINTDAYZPY-UHFFFAOYSA-N 0 2 413.190 3.742 20 0 HHADLN Cc1ccnc(OC2CCN(C(=O)c3cc(F)cc(Br)c3O)CC2)c1 ZINC000436855116 981593423 /nfs/dbraw/zinc/59/34/23/981593423.db2.gz UOEXJCSLAMRORJ-UHFFFAOYSA-N 0 2 409.255 3.681 20 0 HHADLN Cn1c(CCCNC(=O)c2cc(F)cc(Br)c2O)nc2ccccc21 ZINC000436857473 981594606 /nfs/dbraw/zinc/59/46/06/981594606.db2.gz KWMNJLNRJSUDPV-UHFFFAOYSA-N 0 2 406.255 3.543 20 0 HHADLN Cc1noc(COc2ccc(NC(=O)c3cc(F)cc(Br)c3O)cc2)n1 ZINC000436864984 981596690 /nfs/dbraw/zinc/59/66/90/981596690.db2.gz QGVZAOJMXMFBKX-UHFFFAOYSA-N 0 2 422.210 3.817 20 0 HHADLN O=S(=O)(NCc1ccccc1)c1ccc(O)c(-c2nc(-c3cccs3)no2)c1 ZINC000436889434 981602472 /nfs/dbraw/zinc/60/24/72/981602472.db2.gz BNSCFPVBYNSZQM-UHFFFAOYSA-N 0 2 413.480 3.649 20 0 HHADLN COCCOc1ccc(F)cc1NC(=O)c1cc(F)cc(Br)c1O ZINC000436895456 981604584 /nfs/dbraw/zinc/60/45/84/981604584.db2.gz JDHPTGDPAGRYNF-UHFFFAOYSA-N 0 2 402.191 3.710 20 0 HHADLN O=C(N[C@H]1CCOC2(CCSCC2)C1)c1cc(Cl)cc(Br)c1O ZINC000436912326 981617529 /nfs/dbraw/zinc/61/75/29/981617529.db2.gz SOGZOCFNAYALED-NSHDSACASA-N 0 2 420.756 3.983 20 0 HHADLN O=C(c1ccc(F)cc1Cl)N1CCN(C(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000436927025 981628632 /nfs/dbraw/zinc/62/86/32/981628632.db2.gz NTRYNDIPARBGTP-UHFFFAOYSA-N 0 2 415.223 3.575 20 0 HHADLN CCC[C@@H](NC(=O)c1cc(F)cc(Cl)c1O)C(=O)N1CCc2sccc2C1 ZINC000436929763 981630187 /nfs/dbraw/zinc/63/01/87/981630187.db2.gz VVYMKYLOZNSLKD-OAHLLOKOSA-N 0 2 410.898 3.730 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(O)c(-c2nc(-c3ccon3)no2)c1 ZINC000436948722 981639145 /nfs/dbraw/zinc/63/91/45/981639145.db2.gz URHWXOFUMFOBBT-UHFFFAOYSA-N 0 2 418.818 3.551 20 0 HHADLN O=C(NC1(c2noc([C@@H]3CCOC3)n2)CCCCCC1)c1cc(F)c(O)c(F)c1 ZINC000436964941 981652008 /nfs/dbraw/zinc/65/20/08/981652008.db2.gz ICUKYJHQDJLHAS-GFCCVEGCSA-N 0 2 407.417 3.537 20 0 HHADLN O=C(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)c1c(O)cccc1F ZINC000436971589 981657158 /nfs/dbraw/zinc/65/71/58/981657158.db2.gz KDTHWIHDOJMIOW-UHFFFAOYSA-N 0 2 410.423 3.785 20 0 HHADLN COc1cc(CN(C)C(=O)c2cc(Cl)cc(Br)c2O)ccc1O ZINC000436990402 981671824 /nfs/dbraw/zinc/67/18/24/981671824.db2.gz ROBFVAYWRMXMHU-UHFFFAOYSA-N 0 2 400.656 3.795 20 0 HHADLN O=C(N[C@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1cc(F)c(O)c(F)c1 ZINC000436994381 981674387 /nfs/dbraw/zinc/67/43/87/981674387.db2.gz MGNUQSTWVUINFV-AWEZNQCLSA-N 0 2 415.223 3.903 20 0 HHADLN CCCCn1ncc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1C ZINC000448431167 981774367 /nfs/dbraw/zinc/77/43/67/981774367.db2.gz QDQCNZWFVRWFDL-UHFFFAOYSA-N 0 2 419.532 3.501 20 0 HHADLN O=C(Nc1cccc2cnccc21)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000448456721 981791697 /nfs/dbraw/zinc/79/16/97/981791697.db2.gz MEBLUNGVTIPNNP-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1nnc(C(C)(C)C)s1 ZINC000437163922 981814981 /nfs/dbraw/zinc/81/49/81/981814981.db2.gz HEVGRVGABUKKNW-UHFFFAOYSA-N 0 2 420.354 3.716 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc1C ZINC000437166447 981818437 /nfs/dbraw/zinc/81/84/37/981818437.db2.gz PDZZIJVRZKJSQZ-UHFFFAOYSA-N 0 2 409.920 3.900 20 0 HHADLN CCC(CC)c1nnc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)s1 ZINC000437178430 981834267 /nfs/dbraw/zinc/83/42/67/981834267.db2.gz XGZOCQFSCFJFEW-UHFFFAOYSA-N 0 2 420.919 3.993 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nnc(CC(C)C)s2)cnn1-c1ccc(Cl)cc1 ZINC000437180384 981836466 /nfs/dbraw/zinc/83/64/66/981836466.db2.gz DAIWPMCTXMILKV-UHFFFAOYSA-N 0 2 411.940 3.685 20 0 HHADLN COCc1cccc(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)c1 ZINC000437203422 981861364 /nfs/dbraw/zinc/86/13/64/981861364.db2.gz SLFNRZGXSYKYOD-UHFFFAOYSA-N 0 2 409.920 3.730 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)NCCn1cccc1 ZINC000448540601 981869220 /nfs/dbraw/zinc/86/92/20/981869220.db2.gz BCFHMIKGCBDQQM-UHFFFAOYSA-N 0 2 416.478 3.558 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cn1)c1ccccc1 ZINC000437325250 981976594 /nfs/dbraw/zinc/97/65/94/981976594.db2.gz GALVEACRNFGOKO-UHFFFAOYSA-N 0 2 405.838 3.927 20 0 HHADLN O=S(=O)(Nc1ccnn1-c1ccc(Cl)cc1)c1cnn(-c2ccccc2F)c1 ZINC000437332788 981984081 /nfs/dbraw/zinc/98/40/81/981984081.db2.gz OLOHPRMJQCPXNN-UHFFFAOYSA-N 0 2 417.853 3.651 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2F)c(F)c1Cl ZINC000437341314 981991646 /nfs/dbraw/zinc/99/16/46/981991646.db2.gz YATXBCPJNTUUBP-ZETCQYMHSA-N 0 2 424.803 3.894 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2cc(-c3ccccc3)nn2CC(C)C)c1C ZINC000437341525 981991972 /nfs/dbraw/zinc/99/19/72/981991972.db2.gz MSTBBBCZFXXPJP-UHFFFAOYSA-N 0 2 401.536 3.840 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2nc(C(C)C)cs2)cn1 ZINC000437346669 981997043 /nfs/dbraw/zinc/99/70/43/981997043.db2.gz YENIRZZFZUWMQB-UHFFFAOYSA-N 0 2 412.924 3.915 20 0 HHADLN CC(C)c1cccc(S(=O)(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 ZINC000437405653 982049251 /nfs/dbraw/zinc/04/92/51/982049251.db2.gz MWBZGDIQBYJJHQ-UHFFFAOYSA-N 0 2 410.542 3.624 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc(C)c(Cc3cccc(C)c3)s2)cs1 ZINC000437413367 982055340 /nfs/dbraw/zinc/05/53/40/982055340.db2.gz QVKMBWFFSNYJKD-UHFFFAOYSA-N 0 2 422.553 4.000 20 0 HHADLN COc1ccc(-c2noc(CCC(=O)N3C[C@H](c4ccccc4C)OC[C@H]3C)n2)cc1 ZINC000460384667 982162941 /nfs/dbraw/zinc/16/29/41/982162941.db2.gz YDAQCQVGPSOHDU-DYESRHJHSA-N 0 2 421.497 3.975 20 0 HHADLN Cc1cc(C[C@H](C)NC(=O)NC[C@]2(CO)C[C@H]2c2ccccc2)n(-c2ccccc2)n1 ZINC000460384895 982163055 /nfs/dbraw/zinc/16/30/55/982163055.db2.gz HHNBWWTXMSEKIA-WYRQLCSISA-N 0 2 418.541 3.577 20 0 HHADLN COc1ccc(-c2noc(CCC(=O)N3C[C@@H](c4ccccc4C)OC[C@H]3C)n2)cc1 ZINC000460384671 982163165 /nfs/dbraw/zinc/16/31/65/982163165.db2.gz YDAQCQVGPSOHDU-UTKZUKDTSA-N 0 2 421.497 3.975 20 0 HHADLN CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c1 ZINC000460423310 982211045 /nfs/dbraw/zinc/21/10/45/982211045.db2.gz HUHADXDSLJZXDP-UHFFFAOYSA-N 0 2 418.906 3.902 20 0 HHADLN CC(C)c1nc(-c2ccccc2NS(=O)(=O)CCOc2ccc(F)cc2)n[nH]1 ZINC000460442106 982233790 /nfs/dbraw/zinc/23/37/90/982233790.db2.gz HZLFMVABVOIDSS-UHFFFAOYSA-N 0 2 404.467 3.555 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)c(F)c2)o1)c1cnc2ccc(F)cc2c1 ZINC000460547722 982334319 /nfs/dbraw/zinc/33/43/19/982334319.db2.gz XMPOVAOJRMNGSY-UHFFFAOYSA-N 0 2 406.345 3.503 20 0 HHADLN C[C@H](NC(=O)N=c1nc(C(C)(C)C)[nH]s1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000437794760 982361427 /nfs/dbraw/zinc/36/14/27/982361427.db2.gz DRAXUXRGGREYII-WMLDXEAASA-N 0 2 418.563 3.704 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1CCc2sc(Cl)cc21 ZINC000460887132 982625470 /nfs/dbraw/zinc/62/54/70/982625470.db2.gz YOWPOQFBBUERSW-ZDUSSCGKSA-N 0 2 403.895 3.585 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc3nnc(C(C)C)n3c2)sc1Br ZINC000438241206 982675722 /nfs/dbraw/zinc/67/57/22/982675722.db2.gz XLKNZGZFHBNNRJ-UHFFFAOYSA-N 0 2 415.338 3.786 20 0 HHADLN CC(C)[C@H](CC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000438610489 982936278 /nfs/dbraw/zinc/93/62/78/982936278.db2.gz LRKPRHPSKIVWKD-ZDUSSCGKSA-N 0 2 421.466 3.651 20 0 HHADLN Cn1cc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)c(C2CC2)n1 ZINC000461331734 983022733 /nfs/dbraw/zinc/02/27/33/983022733.db2.gz MGGIKIDEJUHWPP-UHFFFAOYSA-N 0 2 421.416 3.515 20 0 HHADLN Cc1noc(COc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)s3)cc2)n1 ZINC000461337658 983026723 /nfs/dbraw/zinc/02/67/23/983026723.db2.gz HRSICNPHZCBYHD-UHFFFAOYSA-N 0 2 419.406 3.838 20 0 HHADLN CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)Nc1cccc(C2CCC2)c1 ZINC000461346401 983031451 /nfs/dbraw/zinc/03/14/51/983031451.db2.gz YDRJMHGZTVTPPP-UHFFFAOYSA-N 0 2 424.544 3.525 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC000438761288 983053041 /nfs/dbraw/zinc/05/30/41/983053041.db2.gz OLCYMCGYMHKGEW-UHFFFAOYSA-N 0 2 419.890 3.899 20 0 HHADLN CC(C)OCc1nc([C@@H](C)NC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)no1 ZINC000461384598 983057547 /nfs/dbraw/zinc/05/75/47/983057547.db2.gz GXERLEJKVMRNHP-CQSZACIVSA-N 0 2 413.478 3.500 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc3cccnc32)c(Br)c1 ZINC000438800850 983079141 /nfs/dbraw/zinc/07/91/41/983079141.db2.gz IUANNKSFJDFNJW-UHFFFAOYSA-N 0 2 421.272 3.585 20 0 HHADLN CCCCNC(=O)C1CCN(C(=O)c2cc(Cl)cc(Br)c2O)CC1 ZINC000438897423 983142318 /nfs/dbraw/zinc/14/23/18/983142318.db2.gz FRDYLQPHIZGASU-UHFFFAOYSA-N 0 2 417.731 3.577 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)=N1 ZINC000438903345 983144848 /nfs/dbraw/zinc/14/48/48/983144848.db2.gz JFZKHKVFCISLCO-UHFFFAOYSA-N 0 2 401.470 3.598 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@@H](C)c3nnc4n3CCCCC4)=N2)cc1 ZINC000438905979 983146362 /nfs/dbraw/zinc/14/63/62/983146362.db2.gz USDAWVLZKJRFSJ-HNNXBMFYSA-N 0 2 408.506 3.510 20 0 HHADLN CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc(Cl)cc(Br)c1O ZINC000438905973 983146374 /nfs/dbraw/zinc/14/63/74/983146374.db2.gz UPEOIHIFCRWVJD-UHFFFAOYSA-N 0 2 415.646 3.658 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)=N1 ZINC000438907120 983146821 /nfs/dbraw/zinc/14/68/21/983146821.db2.gz KLUJLXPWEBRQDM-SFHVURJKSA-N 0 2 418.497 3.631 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cc(Cl)ccc2Br)nc2c1CCCC2 ZINC000438998000 983201976 /nfs/dbraw/zinc/20/19/76/983201976.db2.gz IKHQNDGBRBZSKK-UHFFFAOYSA-N 0 2 416.728 3.881 20 0 HHADLN COCCn1cc(S(=O)(=O)Nc2ccc(Oc3ccnc4ccccc43)cc2)cn1 ZINC000439036305 983222307 /nfs/dbraw/zinc/22/23/07/983222307.db2.gz BCFVRYXRVHYNRO-UHFFFAOYSA-N 0 2 424.482 3.671 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)=N1 ZINC000439104773 983251301 /nfs/dbraw/zinc/25/13/01/983251301.db2.gz AVYNTLLJCWTYGP-QVKFZJNVSA-N 0 2 409.461 3.882 20 0 HHADLN O=C(NCc1cccc(Cn2cnc3ccccc32)c1)C1=NN(c2ccccc2)CC1=O ZINC000439181080 983295242 /nfs/dbraw/zinc/29/52/42/983295242.db2.gz VDCDZJJBRVPFLF-UHFFFAOYSA-N 0 2 423.476 3.906 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC[C@@H](c4nncn4C(C)C)C3)=N2)cc1 ZINC000439207209 983311192 /nfs/dbraw/zinc/31/11/92/983311192.db2.gz GJCUPYSEOXRBRC-GOSISDBHSA-N 0 2 422.533 3.894 20 0 HHADLN C[C@H](Oc1cccc(F)c1)C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439243190 983327760 /nfs/dbraw/zinc/32/77/60/983327760.db2.gz BVRQECHNQYNGEG-VIFPVBQESA-N 0 2 423.217 3.918 20 0 HHADLN CC1(C)Cc2cc(S(=O)(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)ccc2O1 ZINC000439870504 983563244 /nfs/dbraw/zinc/56/32/44/983563244.db2.gz GVDRIDASCZOVQJ-UHFFFAOYSA-N 0 2 406.529 3.813 20 0 HHADLN Cc1noc(C2CCC(NC(=O)c3cc(Cl)cc(Br)c3O)CC2)n1 ZINC000440127136 983652913 /nfs/dbraw/zinc/65/29/13/983652913.db2.gz AKIJYJRFEBTKDG-UHFFFAOYSA-N 0 2 414.687 3.956 20 0 HHADLN Cc1c(COC(C)(C)C)cccc1NS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000440814875 983918282 /nfs/dbraw/zinc/91/82/82/983918282.db2.gz QJSWFLBOENRCLV-UHFFFAOYSA-N 0 2 407.536 3.659 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1-c1ccc(F)cc1)c1cnn(C2CCOCC2)c1 ZINC000440829613 983927230 /nfs/dbraw/zinc/92/72/30/983927230.db2.gz BEGQWMUOEKEURY-UHFFFAOYSA-N 0 2 419.453 3.981 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2C)cc1Cl ZINC000440838534 983931441 /nfs/dbraw/zinc/93/14/41/983931441.db2.gz SHJOBTSHTSIWGE-UHFFFAOYSA-N 0 2 423.853 3.561 20 0 HHADLN O=S(=O)(Nc1ccc(Oc2cccc(F)c2)cc1)c1cnn(C2CCOCC2)c1 ZINC000441329720 984188844 /nfs/dbraw/zinc/18/88/44/984188844.db2.gz DDGGBSOEZREWQG-UHFFFAOYSA-N 0 2 417.462 3.967 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)cc1Cl ZINC000441386955 984224188 /nfs/dbraw/zinc/22/41/88/984224188.db2.gz XKXWDLHRHUNFEC-UHFFFAOYSA-N 0 2 400.909 3.653 20 0 HHADLN C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000441406823 984235195 /nfs/dbraw/zinc/23/51/95/984235195.db2.gz RRBZLDWXMOTCRL-NEPJUHHUSA-N 0 2 408.955 3.500 20 0 HHADLN CC[C@H](C)[C@@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccc(Cl)cc1 ZINC000442133906 984659651 /nfs/dbraw/zinc/65/96/51/984659651.db2.gz LZGORTWRDUDUOY-SMDDNHRTSA-N 0 2 408.955 3.753 20 0 HHADLN Cc1cc(N2CCNC2=O)ccc1NS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000442244655 984765873 /nfs/dbraw/zinc/76/58/73/984765873.db2.gz ZLNDVBOSQNMXLB-UHFFFAOYSA-N 0 2 418.277 3.771 20 0 HHADLN Cc1ccc(-c2nc(S(=O)(=O)[C@@H](C)C(=O)Nc3ccc(Cl)cc3C)n[nH]2)cc1 ZINC000461803852 984789563 /nfs/dbraw/zinc/78/95/63/984789563.db2.gz SARXKWODADIWKJ-ZDUSSCGKSA-N 0 2 418.906 3.543 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2ccc(Br)o2)o1)c1ccccc1 ZINC000442615626 985093386 /nfs/dbraw/zinc/09/33/86/985093386.db2.gz KJSGOAZMSIUTEM-LLVKDONJSA-N 0 2 412.265 3.768 20 0 HHADLN CC(C)OCCOCc1cccc(NS(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000442819340 985227279 /nfs/dbraw/zinc/22/72/79/985227279.db2.gz AVUUVPOBEZMNGQ-UHFFFAOYSA-N 0 2 418.437 3.843 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(Oc2nccc(C)n2)cc1 ZINC000442820746 985227884 /nfs/dbraw/zinc/22/78/84/985227884.db2.gz TWHRQBQKKUSNLY-UHFFFAOYSA-N 0 2 419.484 3.535 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cccc(OCc2ccccn2)c1 ZINC000442823519 985229561 /nfs/dbraw/zinc/22/95/61/985229561.db2.gz DIYQCSARQPWWPV-UHFFFAOYSA-N 0 2 418.496 3.618 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(C)c(OCC(F)F)c1 ZINC000442828886 985232888 /nfs/dbraw/zinc/23/28/88/985232888.db2.gz QYYZPDIOQSYFDL-UHFFFAOYSA-N 0 2 405.444 3.596 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000442833889 985235113 /nfs/dbraw/zinc/23/51/13/985235113.db2.gz VLOREHNWITWFGT-UHFFFAOYSA-N 0 2 404.469 3.831 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cnccc2C(F)(F)F)ccc1OC1CCOCC1 ZINC000442835329 985237209 /nfs/dbraw/zinc/23/72/09/985237209.db2.gz FTWRBEBSRBKTNZ-UHFFFAOYSA-N 0 2 416.421 3.767 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(S(=O)(=O)C(C)(C)C)cc2)c1 ZINC000442839902 985239911 /nfs/dbraw/zinc/23/99/11/985239911.db2.gz YVMZNZBOGPAOQD-UHFFFAOYSA-N 0 2 417.936 3.722 20 0 HHADLN CCCNC(=O)c1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1Cl ZINC000442843167 985241190 /nfs/dbraw/zinc/24/11/90/985241190.db2.gz PUWYBYVNQHSPCN-UHFFFAOYSA-N 0 2 421.828 3.694 20 0 HHADLN O=S(=O)(Nc1cc(F)c(Br)c(F)c1)c1cnccc1C(F)(F)F ZINC000442848944 985244765 /nfs/dbraw/zinc/24/47/65/985244765.db2.gz ZSKSRKIKUYMUDG-UHFFFAOYSA-N 0 2 417.153 3.942 20 0 HHADLN COc1cc(C(=O)NCc2ccccc2CN2C[C@H](C)O[C@@H](C)C2)cc(Cl)c1O ZINC000442859852 985249156 /nfs/dbraw/zinc/24/91/56/985249156.db2.gz VRBDDMQNHADBBD-GJZGRUSLSA-N 0 2 418.921 3.593 20 0 HHADLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3c(C)csc3C(=O)OC)sc2C1 ZINC000443137567 985399394 /nfs/dbraw/zinc/39/93/94/985399394.db2.gz VDYPIDQMGACKTN-SNVBAGLBSA-N 0 2 400.547 3.615 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCC2(c3ccccc3)CC2)c(F)c1Cl ZINC000462459951 985420977 /nfs/dbraw/zinc/42/09/77/985420977.db2.gz OXMGCICAYIAOHL-UHFFFAOYSA-N 0 2 414.861 3.587 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)Cc2ccccc2C)c(F)c1Cl ZINC000462513830 985464289 /nfs/dbraw/zinc/46/42/89/985464289.db2.gz TWIVMEWQHOOKOS-NSHDSACASA-N 0 2 416.877 3.795 20 0 HHADLN Cc1cnc(NS(=O)(=O)c2c(Br)cc(C)cc2Br)o1 ZINC000443382540 985540668 /nfs/dbraw/zinc/54/06/68/985540668.db2.gz ITRAVTVPXRADOG-UHFFFAOYSA-N 0 2 410.087 3.617 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cc(C3CCC3)nn2-c2ccccc2)cc1 ZINC000443423366 985579844 /nfs/dbraw/zinc/57/98/44/985579844.db2.gz QLBFHWHSYXWHDZ-UHFFFAOYSA-N 0 2 424.526 3.923 20 0 HHADLN O=S(=O)(Nc1ccc(OCCO)cc1C(F)(F)F)c1cc(F)ccc1Cl ZINC000467949021 985586065 /nfs/dbraw/zinc/58/60/65/985586065.db2.gz MEERKSQKAMTQLI-UHFFFAOYSA-N 0 2 413.776 3.670 20 0 HHADLN C[C@@H]1CCC[C@H](OCc2cccc(NS(=O)(=O)c3cnn([C@H]4CCOC4)c3)c2)C1 ZINC000443450962 985619179 /nfs/dbraw/zinc/61/91/79/985619179.db2.gz BWIMPKGMPGEFLV-UXPWSPDFSA-N 0 2 419.547 3.741 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1-c1ccc(F)cc1)c1cnn([C@@H]2CCOC2)c1 ZINC000443452190 985620134 /nfs/dbraw/zinc/62/01/34/985620134.db2.gz FGUCPDPDPUCYDA-MRXNPFEDSA-N 0 2 405.426 3.591 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccc2ncccc2c1 ZINC000443583257 985758493 /nfs/dbraw/zinc/75/84/93/985758493.db2.gz YDKWRQREOWJGNN-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1(c2ccccc2F)CC1 ZINC000443584405 985759628 /nfs/dbraw/zinc/75/96/28/985759628.db2.gz RLSKORCHDXRIDS-UHFFFAOYSA-N 0 2 417.487 3.753 20 0 HHADLN CC(C)(C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccs1 ZINC000443584815 985760621 /nfs/dbraw/zinc/76/06/21/985760621.db2.gz UIYFVAAVFNUAKO-UHFFFAOYSA-N 0 2 407.542 3.922 20 0 HHADLN CC[C@@H](C)c1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)on1 ZINC000443596025 985772246 /nfs/dbraw/zinc/77/22/46/985772246.db2.gz XJWVYSIKUFFSBJ-LLVKDONJSA-N 0 2 406.489 3.698 20 0 HHADLN Cc1cc(NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)ccc1O ZINC000443601485 985777770 /nfs/dbraw/zinc/77/77/70/985777770.db2.gz HGTXZQAPOGFSSY-UHFFFAOYSA-N 0 2 404.473 3.602 20 0 HHADLN OC[C@H](CNc1nc(-c2ccccc2)ns1)Cc1cccc(OC(F)(F)F)c1 ZINC000462939109 985877776 /nfs/dbraw/zinc/87/77/76/985877776.db2.gz DZVGJPANOSEYEH-AWEZNQCLSA-N 0 2 409.433 3.789 20 0 HHADLN C[C@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccc(Cl)c2ccccc21 ZINC000462955673 985898422 /nfs/dbraw/zinc/89/84/22/985898422.db2.gz WEEAISCBGCZGOB-NSHDSACASA-N 0 2 416.934 3.880 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cccc2c1OCCC2 ZINC000468344030 986040302 /nfs/dbraw/zinc/04/03/02/986040302.db2.gz MPJYDABRQYNLQO-ZDUSSCGKSA-N 0 2 411.907 3.880 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cc(-c2ncco2)ccc1C ZINC000468367733 986066968 /nfs/dbraw/zinc/06/69/68/986066968.db2.gz OPHWRHSXZCRWDH-UHFFFAOYSA-N 0 2 406.435 3.615 20 0 HHADLN CCC1(CC)Oc2ccc(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)cc2O1 ZINC000468371450 986071081 /nfs/dbraw/zinc/07/10/81/986071081.db2.gz JPHWIWAKINIXAQ-UHFFFAOYSA-N 0 2 414.487 3.664 20 0 HHADLN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S(=O)(=O)c2cccc(C(F)(F)F)c2)c1C ZINC000468399783 986098428 /nfs/dbraw/zinc/09/84/28/986098428.db2.gz OYFGNRXHPCEPMA-LBPRGKRZSA-N 0 2 401.406 3.898 20 0 HHADLN C[C@H](CC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)NC(=O)c1ccccc1 ZINC000463161635 986133675 /nfs/dbraw/zinc/13/36/75/986133675.db2.gz OAPLCNAMPDHBFS-LLVKDONJSA-N 0 2 418.284 3.926 20 0 HHADLN CC(C)C(=O)N1CCC(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)CC1 ZINC000463163906 986135383 /nfs/dbraw/zinc/13/53/83/986135383.db2.gz UKSBVUFQGFKXQP-UHFFFAOYSA-N 0 2 410.305 3.612 20 0 HHADLN CCCC(=O)N1CCC[C@@H](C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)C1 ZINC000463164839 986137052 /nfs/dbraw/zinc/13/70/52/986137052.db2.gz GSPQGHRRGKUFQH-LLVKDONJSA-N 0 2 410.305 3.756 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000463165963 986137665 /nfs/dbraw/zinc/13/76/65/986137665.db2.gz YQRURDNHXVQLKK-JTQLQIEISA-N 0 2 408.289 3.508 20 0 HHADLN O=C(NCC1(C2CC2)CCC1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443930756 986139384 /nfs/dbraw/zinc/13/93/84/986139384.db2.gz UEUDWIKRDPOYTA-UHFFFAOYSA-N 0 2 406.533 3.646 20 0 HHADLN Cc1c(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)nnn1-c1ccccc1 ZINC000463171219 986143148 /nfs/dbraw/zinc/14/31/48/986143148.db2.gz MQJYTFHLULKBTK-UHFFFAOYSA-N 0 2 414.256 3.920 20 0 HHADLN CC(=O)N1CCc2cc(C(=O)Nc3nc(-c4cc(Cl)ccc4Cl)n[nH]3)ccc21 ZINC000463172027 986144058 /nfs/dbraw/zinc/14/40/58/986144058.db2.gz OUQKOWFMPRKDMU-UHFFFAOYSA-N 0 2 416.268 3.940 20 0 HHADLN COc1ccc(-c2ncc(C(=O)Nc3nc(-c4ccccc4OC)n[nH]3)s2)cc1 ZINC000463184635 986156282 /nfs/dbraw/zinc/15/62/82/986156282.db2.gz UARFXUIZPMDZGF-UHFFFAOYSA-N 0 2 407.455 3.865 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2c(F)cccc2Cl)nc1C(C)(C)C ZINC000444049958 986248360 /nfs/dbraw/zinc/24/83/60/986248360.db2.gz GUKKPLXTUCCIHR-UHFFFAOYSA-N 0 2 406.888 3.821 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)n(-c2ccccn2)n1 ZINC000444052463 986251755 /nfs/dbraw/zinc/25/17/55/986251755.db2.gz SFYNMYWFXAHPFA-UHFFFAOYSA-N 0 2 400.357 3.534 20 0 HHADLN C[C@@H]1CN(c2ccccc2NS(=O)(=O)c2cnc(-c3ccccc3)nc2)C[C@@H](C)O1 ZINC000444056631 986256996 /nfs/dbraw/zinc/25/69/96/986256996.db2.gz QXOVOEQVLSLPAT-IAGOWNOFSA-N 0 2 424.526 3.558 20 0 HHADLN C[C@H]1CN(c2ccccc2NS(=O)(=O)c2cnc(-c3ccccc3)nc2)C[C@H](C)O1 ZINC000444056633 986257227 /nfs/dbraw/zinc/25/72/27/986257227.db2.gz QXOVOEQVLSLPAT-IRXDYDNUSA-N 0 2 424.526 3.558 20 0 HHADLN O=S(=O)(Nc1ccnn1-c1cccc(Cl)c1)c1cnc(-c2ccccc2)nc1 ZINC000444056666 986257456 /nfs/dbraw/zinc/25/74/56/986257456.db2.gz RDLZILWDIQFXGD-UHFFFAOYSA-N 0 2 411.874 3.784 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(-c3cc(C)oc3C)o2)cc1OCC ZINC000444059854 986261031 /nfs/dbraw/zinc/26/10/31/986261031.db2.gz SMUYJDHEMIFBCX-UHFFFAOYSA-N 0 2 407.448 3.545 20 0 HHADLN Cc1occc1-c1nnc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)o1 ZINC000444061371 986262886 /nfs/dbraw/zinc/26/28/86/986262886.db2.gz WXPGTLNWPRZTLH-UHFFFAOYSA-N 0 2 405.766 3.694 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3ccc(Br)s3)o2)c(C)o1 ZINC000444062110 986264207 /nfs/dbraw/zinc/26/42/07/986264207.db2.gz IBVXIHNOGHWJCD-UHFFFAOYSA-N 0 2 404.267 3.571 20 0 HHADLN CC(C)c1nnc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)o1 ZINC000444066946 986269902 /nfs/dbraw/zinc/26/99/02/986269902.db2.gz WRQDYQDLIBCGAT-UHFFFAOYSA-N 0 2 414.203 3.775 20 0 HHADLN Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000463310752 986278593 /nfs/dbraw/zinc/27/85/93/986278593.db2.gz PTNACAFKXNGVLA-UHFFFAOYSA-N 0 2 413.890 3.817 20 0 HHADLN COCn1nc(C)c(S(=O)(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1C ZINC000463379788 986346918 /nfs/dbraw/zinc/34/69/18/986346918.db2.gz FRUMKNAWLMAVCT-UHFFFAOYSA-N 0 2 419.478 3.623 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3ccc(C)cc3Br)o2)c(C)o1 ZINC000463384580 986351768 /nfs/dbraw/zinc/35/17/68/986351768.db2.gz LEIAYWGOZOTBDA-UHFFFAOYSA-N 0 2 412.265 3.818 20 0 HHADLN Cn1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c(C(F)(F)F)n1 ZINC000463429785 986400898 /nfs/dbraw/zinc/40/08/98/986400898.db2.gz KDLMJVAVWJBRFP-UHFFFAOYSA-N 0 2 407.723 3.912 20 0 HHADLN COc1ccc(Oc2ccc(CCNC(=O)c3cn[nH]c3-c3cnn(C)c3)cc2)cc1 ZINC000444242437 986433882 /nfs/dbraw/zinc/43/38/82/986433882.db2.gz OWTULBWFEOIRBR-UHFFFAOYSA-N 0 2 417.469 3.584 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(F)c(OC)c2)nc1C1CCCC1 ZINC000468752955 986467864 /nfs/dbraw/zinc/46/78/64/986467864.db2.gz AFOLVPFTSHTVIU-UHFFFAOYSA-N 0 2 414.480 3.536 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cc3ccccc3o2)s1)c1cnn(-c2ccccc2)c1 ZINC000468759459 986473005 /nfs/dbraw/zinc/47/30/05/986473005.db2.gz AKRGUKMEVMVCGN-UHFFFAOYSA-N 0 2 423.479 3.938 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N1CCC[C@@H]2CCC[C@H]21 ZINC000444396627 986574809 /nfs/dbraw/zinc/57/48/09/986574809.db2.gz NQFHIGBUVRSCOM-XJKSGUPXSA-N 0 2 406.533 3.740 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000468878559 986586111 /nfs/dbraw/zinc/58/61/11/986586111.db2.gz GHWGTTLHIQFOIS-SFHVURJKSA-N 0 2 401.825 3.584 20 0 HHADLN Cc1cnn(Cc2ccccc2F)c1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000468889670 986595699 /nfs/dbraw/zinc/59/56/99/986595699.db2.gz JHWNLYLXDYHOJY-UHFFFAOYSA-N 0 2 414.384 3.594 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2c(C)noc2C2CC2)cc1Br ZINC000463793273 986784896 /nfs/dbraw/zinc/78/48/96/986784896.db2.gz IXNYKTPBWPSXIW-UHFFFAOYSA-N 0 2 401.282 3.822 20 0 HHADLN Cc1noc(C2CC2)c1NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000444877670 987031338 /nfs/dbraw/zinc/03/13/38/987031338.db2.gz STAAZISOTGJVIO-UHFFFAOYSA-N 0 2 419.488 3.762 20 0 HHADLN COc1ccc(-c2n[nH]cc2C(=O)Nc2nc(-c3cc4ccccc4o3)n[nH]2)cc1 ZINC000445260429 987314986 /nfs/dbraw/zinc/31/49/86/987314986.db2.gz KBPVPKJNFZMEKC-UHFFFAOYSA-N 0 2 400.398 3.869 20 0 HHADLN CC(C)[C@@H]1CCC[C@@H](NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)CC1 ZINC000469758358 987411860 /nfs/dbraw/zinc/41/18/60/987411860.db2.gz XAGCASAVSHQTTG-HUUCEWRRSA-N 0 2 424.592 3.617 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCC3CCN(c4ccccc4)CC3)s[nH]2)c1 ZINC000469910646 987540972 /nfs/dbraw/zinc/54/09/72/987540972.db2.gz WCNUHPVYFAICFQ-UHFFFAOYSA-N 0 2 423.542 3.674 20 0 HHADLN COC[C@H](C)CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000445525598 987580492 /nfs/dbraw/zinc/58/04/92/987580492.db2.gz WILCHELPDKUQNR-GFCCVEGCSA-N 0 2 414.886 3.891 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CC[C@H](C(F)(F)F)C3(C)C)s[nH]2)c1 ZINC000470420810 988384255 /nfs/dbraw/zinc/38/42/55/988384255.db2.gz ZENPIPKSMVSIBF-LBPRGKRZSA-N 0 2 400.426 3.830 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccccc2O[C@H]2CCOC2)c(Br)c1 ZINC000470449153 988427635 /nfs/dbraw/zinc/42/76/35/988427635.db2.gz XVHDDZWAIFHCLA-ZDUSSCGKSA-N 0 2 412.305 3.726 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cccc(OCCF)c2)cc1Cl ZINC000470457315 988440653 /nfs/dbraw/zinc/44/06/53/988440653.db2.gz BRJBGCZEIYNERR-UHFFFAOYSA-N 0 2 404.822 3.587 20 0 HHADLN O=C1Nc2ccc(S(=O)(=O)Nc3cc(F)ccc3OC(F)F)c3cccc1c23 ZINC000470459576 988444406 /nfs/dbraw/zinc/44/44/06/988444406.db2.gz KPHHVNXYMMSUIS-UHFFFAOYSA-N 0 2 408.357 3.947 20 0 HHADLN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)Nc2ccccc2-c2cccs2)c1 ZINC000464469056 988643300 /nfs/dbraw/zinc/64/33/00/988643300.db2.gz GUUQVQPQPRBSGF-UHFFFAOYSA-N 0 2 402.497 3.623 20 0 HHADLN Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc(Br)cc2)n(C)n1 ZINC000470784809 988839450 /nfs/dbraw/zinc/83/94/50/988839450.db2.gz HFEWJBMICGVLHD-UHFFFAOYSA-N 0 2 406.305 3.959 20 0 HHADLN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2OC(C)C)c1 ZINC000471113654 989216940 /nfs/dbraw/zinc/21/69/40/989216940.db2.gz BSCBYJSJXJNMJW-UHFFFAOYSA-N 0 2 417.936 3.722 20 0 HHADLN O=C(NCc1coc(-c2cccs2)n1)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000471297951 989459434 /nfs/dbraw/zinc/45/94/34/989459434.db2.gz VMOFBODQQOAGJQ-UHFFFAOYSA-N 0 2 400.847 3.878 20 0 HHADLN CC(=O)Nc1cc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)cc(C(F)(F)F)c1 ZINC000471392133 989570808 /nfs/dbraw/zinc/57/08/08/989570808.db2.gz GBFWCCOACCXFKT-UHFFFAOYSA-N 0 2 406.389 3.857 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cc1F ZINC000471498963 989696586 /nfs/dbraw/zinc/69/65/86/989696586.db2.gz IECAQJLYMSUUHW-UHFFFAOYSA-N 0 2 407.492 3.813 20 0 HHADLN CC(C)(c1nnc(NS(=O)(=O)c2ccc3c(c2)CCO3)s1)c1ccccc1 ZINC000471504256 989701502 /nfs/dbraw/zinc/70/15/02/989701502.db2.gz RZISYHPAQSYSSJ-UHFFFAOYSA-N 0 2 401.513 3.600 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)cc1OCC ZINC000471505805 989703914 /nfs/dbraw/zinc/70/39/14/989703914.db2.gz FQXGILMIIZUYSC-UHFFFAOYSA-N 0 2 411.530 3.865 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)c1 ZINC000471508893 989707221 /nfs/dbraw/zinc/70/72/21/989707221.db2.gz XMJOLMWPFAZXOI-UHFFFAOYSA-N 0 2 415.905 3.507 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)ccc1F ZINC000471614740 989819875 /nfs/dbraw/zinc/81/98/75/989819875.db2.gz NOTSQNRASRPLLQ-UHFFFAOYSA-N 0 2 415.368 3.840 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000471911101 990078901 /nfs/dbraw/zinc/07/89/01/990078901.db2.gz ORGJBMZKXDUJQC-UHFFFAOYSA-N 0 2 418.906 3.634 20 0 HHADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000471920332 990087093 /nfs/dbraw/zinc/08/70/93/990087093.db2.gz SSUQEGYXRFHZTL-UHFFFAOYSA-N 0 2 423.438 3.956 20 0 HHADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000471940219 990104683 /nfs/dbraw/zinc/10/46/83/990104683.db2.gz AQNZWFJNYYKYEU-UHFFFAOYSA-N 0 2 405.448 3.817 20 0 HHADLN CCc1cc(=O)[nH]c(-c2cccc(NS(=O)(=O)c3c[nH]c4cccc(F)c43)c2)n1 ZINC000471948456 990112142 /nfs/dbraw/zinc/11/21/42/990112142.db2.gz YOCXLHDYAOSZOG-UHFFFAOYSA-N 0 2 412.446 3.833 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000471960356 990125585 /nfs/dbraw/zinc/12/55/85/990125585.db2.gz GUUHZCJDYPAKEL-UHFFFAOYSA-N 0 2 418.224 3.952 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000466270803 991516113 /nfs/dbraw/zinc/51/61/13/991516113.db2.gz ZFTXREHZFOREPF-UHFFFAOYSA-N 0 2 402.403 3.600 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000466354294 991619688 /nfs/dbraw/zinc/61/96/88/991619688.db2.gz QGJNYLXUHRCQHR-UHFFFAOYSA-N 0 2 402.403 3.600 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(-c2csc(C)n2)cc1 ZINC000466354385 991619716 /nfs/dbraw/zinc/61/97/16/991619716.db2.gz QOMKUHQNENLJLL-UHFFFAOYSA-N 0 2 406.460 3.845 20 0 HHADLN Cc1ccc(-n2cc(NS(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)cn2)c(C)c1 ZINC000466429285 991718735 /nfs/dbraw/zinc/71/87/35/991718735.db2.gz XAUOXCXCFOEYMI-UHFFFAOYSA-N 0 2 410.499 3.565 20 0 HHADLN Cc1ccc2nc(NS(=O)(=O)c3ccc(OC[C@H]4CCOC4)c(F)c3)sc2c1 ZINC000467041178 992350508 /nfs/dbraw/zinc/35/05/08/992350508.db2.gz QXNZZHNKEISKET-ZDUSSCGKSA-N 0 2 422.503 3.960 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2cccnc2)c(C(F)(F)F)c1)c1ccco1 ZINC000467427426 992726708 /nfs/dbraw/zinc/72/67/08/992726708.db2.gz GFUAGNQJIKLZPF-UHFFFAOYSA-N 0 2 411.361 3.747 20 0 HHADLN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)C1 ZINC000467755919 993001160 /nfs/dbraw/zinc/00/11/60/993001160.db2.gz TTWKIBYHKQWIGY-PILAGYSTSA-N 0 2 403.910 3.633 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ncc(Cc2ccccc2)s1 ZINC000472126300 993178796 /nfs/dbraw/zinc/17/87/96/993178796.db2.gz NXPAVMVTQLFKHD-UHFFFAOYSA-N 0 2 420.498 3.753 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(-c3cc(C)cc(C)c3)n[nH]2)ccc1F ZINC000472428058 993428211 /nfs/dbraw/zinc/42/82/11/993428211.db2.gz JEFREWCDBAAWEA-UHFFFAOYSA-N 0 2 402.451 3.592 20 0 HHADLN O=S(=O)(NCc1nnc(COc2ccccc2)[nH]1)c1ccc(-c2ccccc2)cc1 ZINC000472701688 993623380 /nfs/dbraw/zinc/62/33/80/993623380.db2.gz TXKRSGSIQPITJB-UHFFFAOYSA-N 0 2 420.494 3.529 20 0 HHADLN O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000480919799 993773304 /nfs/dbraw/zinc/77/33/04/993773304.db2.gz HSHIMWSAGZCCBW-KRWDZBQOSA-N 0 2 420.897 3.931 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cnc(C(C)(C)C)nc3)cc2c1C ZINC000473400933 994255977 /nfs/dbraw/zinc/25/59/77/994255977.db2.gz IVFWNVRQTDBARC-UHFFFAOYSA-N 0 2 417.487 3.806 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1cc(Br)c(F)cc1C ZINC000473408964 994262144 /nfs/dbraw/zinc/26/21/44/994262144.db2.gz BCDIIWGUAQSZBX-UHFFFAOYSA-N 0 2 408.270 3.546 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cnn([C@@H](C)C4CC4)c3)cc2c1C ZINC000473493609 994337922 /nfs/dbraw/zinc/33/79/22/994337922.db2.gz VEWWTTPSIKRJAY-ZDUSSCGKSA-N 0 2 417.487 3.886 20 0 HHADLN Cc1ccc(Br)cc1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473672481 994561365 /nfs/dbraw/zinc/56/13/65/994561365.db2.gz ATOLFKPTRCMAJI-UHFFFAOYSA-N 0 2 416.279 3.776 20 0 HHADLN Cc1coc(-c2cc(NC(=O)NCc3nnc(COc4ccccc4)[nH]3)ccc2C)n1 ZINC000473693616 994584842 /nfs/dbraw/zinc/58/48/42/994584842.db2.gz KLHVGTSYESGBNP-UHFFFAOYSA-N 0 2 418.457 3.977 20 0 HHADLN Cc1cc(C)cc(-c2nnc(NS(=O)(=O)c3cc4c(cc3C)OCO4)s2)c1 ZINC000481809478 994657723 /nfs/dbraw/zinc/65/77/23/994657723.db2.gz FKNLDVVGNYYBSI-UHFFFAOYSA-N 0 2 403.485 3.660 20 0 HHADLN Cc1cc2c(cc1S(=O)(=O)Nc1nnc(-c3ccc(Cl)cc3)s1)OCO2 ZINC000481810850 994659315 /nfs/dbraw/zinc/65/93/15/994659315.db2.gz AIFJRCGKYVWFCX-UHFFFAOYSA-N 0 2 409.876 3.696 20 0 HHADLN O=S(=O)(Nc1ncc(C(F)(F)F)s1)c1cc(Br)ccc1F ZINC000473756352 994666034 /nfs/dbraw/zinc/66/60/34/994666034.db2.gz AILJFRGZUSAYHE-UHFFFAOYSA-N 0 2 405.192 3.864 20 0 HHADLN COC(=O)c1cc(C)nc2nc(NS(=O)(=O)c3cc(C)c(Cl)s3)sc21 ZINC000473774200 994695124 /nfs/dbraw/zinc/69/51/24/994695124.db2.gz QXUVSPUAQRLKET-UHFFFAOYSA-N 0 2 417.921 3.610 20 0 HHADLN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3nnc(C(C)(C)C)o3)ccc2s1 ZINC000481841065 994695631 /nfs/dbraw/zinc/69/56/31/994695631.db2.gz AELZMYXXZDWNSA-UHFFFAOYSA-N 0 2 409.489 3.559 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nnc(-c3cccs3)o2)cc1Br ZINC000481841958 994696619 /nfs/dbraw/zinc/69/66/19/994696619.db2.gz BKTSUKXXBCDSGK-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)Nc2nnc(-c3cccs3)o2)s1 ZINC000481849507 994706140 /nfs/dbraw/zinc/70/61/40/994706140.db2.gz RKZSKUBTVGBJEE-UHFFFAOYSA-N 0 2 406.308 3.731 20 0 HHADLN COCc1cccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c1 ZINC000481857762 994714925 /nfs/dbraw/zinc/71/49/25/994714925.db2.gz JVAYLSMETFEGNA-UHFFFAOYSA-N 0 2 413.883 3.945 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2nc3cc(F)c(C)cc3s2)c(OC)c1 ZINC000481889173 994756626 /nfs/dbraw/zinc/75/66/26/994756626.db2.gz PCZUGFNIQIUQLT-UHFFFAOYSA-N 0 2 412.464 3.570 20 0 HHADLN Cc1cc2sc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)nc2cc1F ZINC000481889697 994757810 /nfs/dbraw/zinc/75/78/10/994757810.db2.gz POYDSRDJKWMBSX-UHFFFAOYSA-N 0 2 405.476 3.671 20 0 HHADLN Cc1cccc2sc(NS(=O)(=O)c3ccc(OCC(F)(F)F)nc3)nc21 ZINC000481943379 994820285 /nfs/dbraw/zinc/82/02/85/994820285.db2.gz MODFYHQPAQDESW-UHFFFAOYSA-N 0 2 403.407 3.742 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccc2)c2ccccc12 ZINC000481961834 994848648 /nfs/dbraw/zinc/84/86/48/994848648.db2.gz NAVMCODPRWQIRV-UHFFFAOYSA-N 0 2 420.494 3.844 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H](c1ccco1)c1ccccc1 ZINC000473895294 994850541 /nfs/dbraw/zinc/85/05/41/994850541.db2.gz INGGVUMCRWXIHD-OAQYLSRUSA-N 0 2 403.442 3.566 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000473912795 994878215 /nfs/dbraw/zinc/87/82/15/994878215.db2.gz RQEYFENJUCIKBT-MRXNPFEDSA-N 0 2 419.407 3.877 20 0 HHADLN CC(C)(CNC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc(Cl)cc1 ZINC000473912692 994878233 /nfs/dbraw/zinc/87/82/33/994878233.db2.gz RAIKGJLQQORFKZ-UHFFFAOYSA-N 0 2 413.909 3.814 20 0 HHADLN CC1(C)CC[C@@H](NC(=O)NCc2nnc(COc3ccccc3)[nH]2)c2ccccc21 ZINC000473936860 994910645 /nfs/dbraw/zinc/91/06/45/994910645.db2.gz BAJZCLNBONLUQH-LJQANCHMSA-N 0 2 405.502 3.996 20 0 HHADLN Cc1c(C)c(C)c(CNC(=O)NCc2nnc(COc3ccccc3)[nH]2)c(C)c1C ZINC000474017785 995008406 /nfs/dbraw/zinc/00/84/06/995008406.db2.gz SLGQJAQANYZWSC-UHFFFAOYSA-N 0 2 407.518 3.925 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000474038226 995028412 /nfs/dbraw/zinc/02/84/12/995028412.db2.gz RMNKAHGUNBYJAX-ZFWWWQNUSA-N 0 2 411.428 3.552 20 0 HHADLN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474045798 995036386 /nfs/dbraw/zinc/03/63/86/995036386.db2.gz RCNYYIAEKHWYNQ-QGZVFWFLSA-N 0 2 423.517 3.869 20 0 HHADLN CCCN(C(=O)NCc1nnc(COc2ccccc2)[nH]1)[C@@H]1CCc2ccccc21 ZINC000474076106 995061548 /nfs/dbraw/zinc/06/15/48/995061548.db2.gz ASBIIPRCKIUFGZ-HXUWFJFHSA-N 0 2 405.502 3.993 20 0 HHADLN CCO[C@H]1C[C@@H](N(C)C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1(CC)CC ZINC000474089875 995072878 /nfs/dbraw/zinc/07/28/78/995072878.db2.gz PETXIRJLPINOEW-MSOLQXFVSA-N 0 2 415.538 3.509 20 0 HHADLN C[C@H]1CCN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)[C@@H]1c1cccc(F)c1 ZINC000474090853 995073608 /nfs/dbraw/zinc/07/36/08/995073608.db2.gz UVLDVTNUICTLKI-BTYIYWSLSA-N 0 2 409.465 3.816 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)n(-c2ccc(C)nn2)n1 ZINC000474409418 995376441 /nfs/dbraw/zinc/37/64/41/995376441.db2.gz GREOBZXVXYHMEM-UHFFFAOYSA-N 0 2 405.483 3.747 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(C4CCCCCC4)n[nH]3)cc2C[C@@H]1C ZINC000474410102 995376509 /nfs/dbraw/zinc/37/65/09/995376509.db2.gz JMOGRHMDGHNLCE-AWEZNQCLSA-N 0 2 416.547 3.946 20 0 HHADLN CCOc1ccc2nc(-c3ccc(NC(=O)NCc4n[nH]c(=O)[nH]4)cc3)sc2c1 ZINC000474549340 995515681 /nfs/dbraw/zinc/51/56/81/995515681.db2.gz BOLOKEGALMOCFH-UHFFFAOYSA-N 0 2 410.459 3.507 20 0 HHADLN Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2nnc(COc3ccccc3)[nH]2)c1 ZINC000474580212 995540394 /nfs/dbraw/zinc/54/03/94/995540394.db2.gz PDVUBZZCUSJUTD-KRWDZBQOSA-N 0 2 408.502 3.899 20 0 HHADLN Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474592373 995551018 /nfs/dbraw/zinc/55/10/18/995551018.db2.gz HCFZHUHSRAMUJJ-QGZVFWFLSA-N 0 2 408.502 3.899 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccccc1C(=O)c1ccccc1 ZINC000474594619 995552707 /nfs/dbraw/zinc/55/27/07/995552707.db2.gz WNHZCDUFEOUHBZ-UHFFFAOYSA-N 0 2 412.449 3.545 20 0 HHADLN CC(C)Oc1ccc(Cl)cc1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474597414 995555774 /nfs/dbraw/zinc/55/57/74/995555774.db2.gz WTARWZJJTYKZIX-UHFFFAOYSA-N 0 2 400.866 3.754 20 0 HHADLN Cc1cccc2c(=O)c(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)c[nH]c12 ZINC000482618855 995614437 /nfs/dbraw/zinc/61/44/37/995614437.db2.gz IZZUEQVLVUZQRW-UHFFFAOYSA-N 0 2 418.280 3.854 20 0 HHADLN CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000474905793 995791944 /nfs/dbraw/zinc/79/19/44/995791944.db2.gz JDRMHJRFAAHSIY-OTWHNJEPSA-N 0 2 424.589 3.564 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccoc3C(C)C)cc2)nc(C)n1 ZINC000483053932 995944191 /nfs/dbraw/zinc/94/41/91/995944191.db2.gz XHKPDXXNBUGBLV-UHFFFAOYSA-N 0 2 414.487 3.863 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)NCc1ccc(-c2cccnc2)cc1 ZINC000483120876 995987843 /nfs/dbraw/zinc/98/78/43/995987843.db2.gz UWPWIXMMLDQRJW-UHFFFAOYSA-N 0 2 405.483 3.801 20 0 HHADLN COC(=O)c1ccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c(F)c1 ZINC000483396119 996149650 /nfs/dbraw/zinc/14/96/50/996149650.db2.gz OZPIRANSAKGQCZ-UHFFFAOYSA-N 0 2 409.204 3.957 20 0 HHADLN CCO[C@H](C)c1nc(CN(C)C(=O)N=c2nc(-c3ccccc3)[nH]s2)cs1 ZINC000475666172 996287148 /nfs/dbraw/zinc/28/71/48/996287148.db2.gz HOFRBAJUMPHNHD-GFCCVEGCSA-N 0 2 403.533 3.845 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c(Br)c1 ZINC000475817260 996390216 /nfs/dbraw/zinc/39/02/16/996390216.db2.gz ICCWNROKLAYPOM-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN CC(C)Cc1ncc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cn1 ZINC000475823989 996394607 /nfs/dbraw/zinc/39/46/07/996394607.db2.gz BKHIYYIGWUNDLW-UHFFFAOYSA-N 0 2 406.252 3.517 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3C[C@]3(C)C(C)C)cc2)nc(C)n1 ZINC000483896045 996454955 /nfs/dbraw/zinc/45/49/55/996454955.db2.gz JUTVKFXHIUWRDX-FXAWDEMLSA-N 0 2 402.520 3.515 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cn1)C1CC1 ZINC000476221016 996685919 /nfs/dbraw/zinc/68/59/19/996685919.db2.gz PQTCIUNTXIHYDF-UHFFFAOYSA-N 0 2 404.250 3.677 20 0 HHADLN O=S(=O)(Nc1nsc(-c2ccccc2)n1)c1cc(Br)ccc1F ZINC000476237083 996696773 /nfs/dbraw/zinc/69/67/73/996696773.db2.gz LUMNVZKSJUCKAI-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN CCc1c(C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)cnn1-c1ccc(F)cc1 ZINC000476283028 996729988 /nfs/dbraw/zinc/72/99/88/996729988.db2.gz GRSHRRPINRGKDW-UHFFFAOYSA-N 0 2 423.473 3.775 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cnc(SC)n3-c3ccccc3)s[nH]2)c1 ZINC000476292258 996735528 /nfs/dbraw/zinc/73/55/28/996735528.db2.gz NDOIVJMTZVDGOQ-UHFFFAOYSA-N 0 2 423.523 3.796 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(OCC(F)(F)F)cc3)s[nH]2)c1 ZINC000476318172 996753140 /nfs/dbraw/zinc/75/31/40/996753140.db2.gz PRSOINSONHFVNU-UHFFFAOYSA-N 0 2 409.389 3.829 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)COc3c(Cl)cccc3Cl)s[nH]2)c1 ZINC000476319188 996753455 /nfs/dbraw/zinc/75/34/55/996753455.db2.gz CIGPVRLHTUNCKN-UHFFFAOYSA-N 0 2 410.282 3.960 20 0 HHADLN COc1ccc([C@H](CO)N(C)C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)cc1 ZINC000476319907 996754276 /nfs/dbraw/zinc/75/42/76/996754276.db2.gz CTXSBKMHNDOLTH-FQEVSTJZSA-N 0 2 409.486 3.516 20 0 HHADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccccc1-n1cccn1 ZINC000476403113 996861141 /nfs/dbraw/zinc/86/11/41/996861141.db2.gz UQKVSRUPLBTGQC-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCC[C@H]1c1cccs1 ZINC000476407198 996866131 /nfs/dbraw/zinc/86/61/31/996866131.db2.gz GGGIQKJLLGFJCD-HNNXBMFYSA-N 0 2 419.553 3.983 20 0 HHADLN CCc1nc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)sc1C ZINC000476426913 996894997 /nfs/dbraw/zinc/89/49/97/996894997.db2.gz VDQQHHFZJBIGEW-UHFFFAOYSA-N 0 2 408.530 3.524 20 0 HHADLN CSc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000476430478 996900708 /nfs/dbraw/zinc/90/07/08/996900708.db2.gz OPVUGBULFLWLBG-UHFFFAOYSA-N 0 2 405.526 3.918 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3cccs3)o2)sc1Br ZINC000476431180 996901652 /nfs/dbraw/zinc/90/16/52/996901652.db2.gz HARGTXRXLYKBLB-UHFFFAOYSA-N 0 2 406.308 3.731 20 0 HHADLN CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000476432024 996902912 /nfs/dbraw/zinc/90/29/12/996902912.db2.gz STONNBYKKLMMMU-UHFFFAOYSA-N 0 2 403.485 3.595 20 0 HHADLN Cc1ccccc1-n1ncc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c1C(C)C ZINC000484636596 996971087 /nfs/dbraw/zinc/97/10/87/996971087.db2.gz BWEKOMCHCXRDHN-UHFFFAOYSA-N 0 2 404.499 3.892 20 0 HHADLN C[C@@H]1CCCC[C@H]1CCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476551687 997043465 /nfs/dbraw/zinc/04/34/65/997043465.db2.gz VUEWJGFOPWUZEX-CABCVRRESA-N 0 2 407.561 3.890 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4cn[nH]c43)ccc2C)cc1 ZINC000484784785 997133252 /nfs/dbraw/zinc/13/32/52/997133252.db2.gz MCTUOFCFGXOMPY-IBGZPJMESA-N 0 2 424.526 3.635 20 0 HHADLN C[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H](C)c1ccccc1 ZINC000476682252 997221858 /nfs/dbraw/zinc/22/18/58/997221858.db2.gz BAFBYTMHJWJIQK-HUUCEWRRSA-N 0 2 415.540 3.866 20 0 HHADLN Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2o1 ZINC000476710531 997251304 /nfs/dbraw/zinc/25/13/04/997251304.db2.gz AJLFZFCXWLRNEV-UHFFFAOYSA-N 0 2 414.468 3.646 20 0 HHADLN CCN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476719737 997265547 /nfs/dbraw/zinc/26/55/47/997265547.db2.gz DGWCGPLRBXYURI-UHFFFAOYSA-N 0 2 401.513 3.606 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCO[C@@H](c4cccc(O)c4)C3)=N2)cc1 ZINC000484906513 997278113 /nfs/dbraw/zinc/27/81/13/997278113.db2.gz HZPUMOKJXPPKNI-OAQYLSRUSA-N 0 2 407.470 3.621 20 0 HHADLN O=C(N[C@H](c1cccs1)C1CC1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476731326 997281927 /nfs/dbraw/zinc/28/19/27/997281927.db2.gz UUINHOBXHSPLQI-INIZCTEOSA-N 0 2 419.553 3.887 20 0 HHADLN Cc1ccccc1C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476747175 997299904 /nfs/dbraw/zinc/29/99/04/997299904.db2.gz MOCBRYAIZSRKCP-OAHLLOKOSA-N 0 2 415.540 3.613 20 0 HHADLN O=C(Nc1ccc2c(c1)CCCO2)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476750628 997305577 /nfs/dbraw/zinc/30/55/77/997305577.db2.gz WHDOSJONILVDNO-UHFFFAOYSA-N 0 2 415.496 3.521 20 0 HHADLN O=C(Nc1nc(C2CC2)cs1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476762265 997319938 /nfs/dbraw/zinc/31/99/38/997319938.db2.gz NBIRRDANSRQPDH-UHFFFAOYSA-N 0 2 406.514 3.530 20 0 HHADLN CCOc1cc(C)ccc1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476771804 997329656 /nfs/dbraw/zinc/32/96/56/997329656.db2.gz WPFAVJRWFJASRH-UHFFFAOYSA-N 0 2 417.512 3.903 20 0 HHADLN Cc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1 ZINC000485009445 997374205 /nfs/dbraw/zinc/37/42/05/997374205.db2.gz ZYDFQRKEKQFIEF-UHFFFAOYSA-N 0 2 402.501 3.574 20 0 HHADLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)c1 ZINC000476914185 997522638 /nfs/dbraw/zinc/52/26/38/997522638.db2.gz MKEZJJFOGPDIME-UHFFFAOYSA-N 0 2 412.876 3.546 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cccc3cccnc32)nc1C(C)(C)C ZINC000476923460 997535973 /nfs/dbraw/zinc/53/59/73/997535973.db2.gz DSZRVODVTXAAOP-UHFFFAOYSA-N 0 2 405.501 3.576 20 0 HHADLN C[C@@H]1CCC[C@@H](C)C1NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485359417 997783546 /nfs/dbraw/zinc/78/35/46/997783546.db2.gz QSTCXLAFHRYWGL-CHWSQXEVSA-N 0 2 408.549 3.890 20 0 HHADLN CCc1ccccc1CNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485370244 997796044 /nfs/dbraw/zinc/79/60/44/997796044.db2.gz LTVSGGSBVXLZNC-UHFFFAOYSA-N 0 2 416.528 3.828 20 0 HHADLN COc1ccc(OC)c(NS(=O)(=O)c2cc(Cl)ccc2Br)c1 ZINC000485390977 997819134 /nfs/dbraw/zinc/81/91/34/997819134.db2.gz STRBDNDMNYBSST-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN Cn1cc(NS(=O)(=O)c2cc(Cl)ccc2Br)c(C(F)(F)F)n1 ZINC000485391940 997820321 /nfs/dbraw/zinc/82/03/21/997820321.db2.gz RWDAFMBTXRPXMW-UHFFFAOYSA-N 0 2 418.622 3.656 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2nc(C(C)C)cs2)c(F)c1Cl ZINC000477164810 997829633 /nfs/dbraw/zinc/82/96/33/997829633.db2.gz NPEHFBGSAUQLSZ-UHFFFAOYSA-N 0 2 423.894 3.635 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cc(C3CC3)nc(C)n2)cc1Br ZINC000485453948 997897583 /nfs/dbraw/zinc/89/75/83/997897583.db2.gz WMXXKQLAQUCWEY-UHFFFAOYSA-N 0 2 412.309 3.624 20 0 HHADLN Cc1nc(C)n(-c2ccccc2NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)n1 ZINC000477467202 998182834 /nfs/dbraw/zinc/18/28/34/998182834.db2.gz OJPXWFURYKDVPN-UHFFFAOYSA-N 0 2 414.384 3.843 20 0 HHADLN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000485906339 998358651 /nfs/dbraw/zinc/35/86/51/998358651.db2.gz LSMKDDWEOQJWPZ-UHFFFAOYSA-N 0 2 415.497 3.961 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NCc1ccccc1)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000477755910 998502341 /nfs/dbraw/zinc/50/23/41/998502341.db2.gz OXBAAWRWCPOYEM-UHFFFAOYSA-N 0 2 421.844 3.954 20 0 HHADLN COC(=O)c1c(C)c(NS(=O)(=O)c2ccc(F)cc2F)ccc1Br ZINC000486063830 998511949 /nfs/dbraw/zinc/51/19/49/998511949.db2.gz AFPIIMWMCHSULS-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C(C)C)ccc1OC ZINC000486078025 998525159 /nfs/dbraw/zinc/52/51/59/998525159.db2.gz KABLQGDMYIDSBI-UHFFFAOYSA-N 0 2 423.535 3.649 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cc1C ZINC000486082765 998529987 /nfs/dbraw/zinc/52/99/87/998529987.db2.gz YEBAUBGZEAMAOB-UHFFFAOYSA-N 0 2 413.499 3.892 20 0 HHADLN CC(C)c1c(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cnn1-c1ccccc1 ZINC000486084503 998531773 /nfs/dbraw/zinc/53/17/73/998531773.db2.gz HEIIHNWWHJJGMC-UHFFFAOYSA-N 0 2 413.499 3.958 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cnn1-c1ccccn1 ZINC000486096067 998543473 /nfs/dbraw/zinc/54/34/73/998543473.db2.gz OGVUGCRWQDVUAU-UHFFFAOYSA-N 0 2 422.514 3.686 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cc(C)cc(Br)c3)cnc2c1Cl ZINC000486098543 998546936 /nfs/dbraw/zinc/54/69/36/998546936.db2.gz HZOQJMSTYQVGAK-UHFFFAOYSA-N 0 2 415.700 3.563 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)ccc1F ZINC000486108195 998555054 /nfs/dbraw/zinc/55/50/54/998555054.db2.gz HFIVQPZBEHMQDP-UHFFFAOYSA-N 0 2 416.478 3.894 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2cc(Cl)cc(Br)c2O)c1 ZINC000486504593 998797485 /nfs/dbraw/zinc/79/74/85/998797485.db2.gz SDEIEVBNWZTZIJ-UHFFFAOYSA-N 0 2 422.684 3.626 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccc(F)c(F)c1 ZINC000486532491 998811387 /nfs/dbraw/zinc/81/13/87/998811387.db2.gz CCYODCNNFZGXGC-UHFFFAOYSA-N 0 2 405.213 3.653 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cc(Cl)ccc2OC)nc1C(C)C ZINC000486547697 998819126 /nfs/dbraw/zinc/81/91/26/998819126.db2.gz HRQFJRMPUPXCEJ-UHFFFAOYSA-N 0 2 418.924 3.906 20 0 HHADLN Cn1nc(-c2ccsc2)cc1NS(=O)(=O)c1ccc(F)cc1Br ZINC000486554568 998823121 /nfs/dbraw/zinc/82/31/21/998823121.db2.gz CNPIYYGLNYIVAK-UHFFFAOYSA-N 0 2 416.297 3.851 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2ncc3c(n2)CCC(C)(C)C3)c1 ZINC000486559533 998825622 /nfs/dbraw/zinc/82/56/22/998825622.db2.gz MSUVNNHGNXMJPO-UHFFFAOYSA-N 0 2 410.337 3.863 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000486570482 998832838 /nfs/dbraw/zinc/83/28/38/998832838.db2.gz IGQBZMWVVCAGID-UHFFFAOYSA-N 0 2 415.968 3.838 20 0 HHADLN Cn1nc(-c2ccc(Cl)s2)cc1NS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000486577661 998837475 /nfs/dbraw/zinc/83/74/75/998837475.db2.gz UOOWBFVXYOVURJ-UHFFFAOYSA-N 0 2 409.920 3.928 20 0 HHADLN O=C(CCCc1nc(-c2cccs2)no1)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000478315182 998882710 /nfs/dbraw/zinc/88/27/10/998882710.db2.gz QELDBOGFFLCBSC-UHFFFAOYSA-N 0 2 416.413 3.823 20 0 HHADLN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000478316547 998883389 /nfs/dbraw/zinc/88/33/89/998883389.db2.gz SIGRYNKXKFQMCD-UHFFFAOYSA-N 0 2 412.375 3.944 20 0 HHADLN Cc1cc(C)c(NC(=O)CNC(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)c(C)c1 ZINC000478471787 998978792 /nfs/dbraw/zinc/97/87/92/998978792.db2.gz YJSKXIQFJVKGDL-UHFFFAOYSA-N 0 2 412.877 3.525 20 0 HHADLN CCCOc1cn(-c2ccccc2)nc1C(=O)Nc1nc(-c2ccccc2OC)n[nH]1 ZINC000486898077 998997152 /nfs/dbraw/zinc/99/71/52/998997152.db2.gz DYQRPEVZGOJFFQ-UHFFFAOYSA-N 0 2 418.457 3.707 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(-c2ccccc2)nn1C(C)C ZINC000486921857 999007638 /nfs/dbraw/zinc/00/76/38/999007638.db2.gz YGKMQKQEEZAEBW-UHFFFAOYSA-N 0 2 417.487 3.874 20 0 HHADLN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccn(-c2c(F)cccc2F)n1 ZINC000487045534 999047112 /nfs/dbraw/zinc/04/71/12/999047112.db2.gz LGLDBVOQHPJUOK-UHFFFAOYSA-N 0 2 400.776 3.841 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3c(C)nn(-c4ccc(F)cc4)c3C)s[nH]2)c1 ZINC000478674876 999082531 /nfs/dbraw/zinc/08/25/31/999082531.db2.gz KKKDJOYYJROVJC-UHFFFAOYSA-N 0 2 423.473 3.830 20 0 HHADLN CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1cc(OC)ccc1Cl ZINC000487391638 999157887 /nfs/dbraw/zinc/15/78/87/999157887.db2.gz RLMQUFRTAXEARX-UHFFFAOYSA-N 0 2 412.895 3.758 20 0 HHADLN CCOC1CC(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3)c(F)cc2C)C1 ZINC000487509438 999203036 /nfs/dbraw/zinc/20/30/36/999203036.db2.gz ZKHDGTJDKNRUEY-UHFFFAOYSA-N 0 2 406.479 3.689 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000487579058 999217228 /nfs/dbraw/zinc/21/72/28/999217228.db2.gz YPXNFBDEBUAAFI-RTBURBONSA-N 0 2 405.502 3.909 20 0 HHADLN COc1ccc(Br)c(CN(C)C(=O)C2=NN(c3ccccc3)CC2=O)c1 ZINC000487643045 999239296 /nfs/dbraw/zinc/23/92/96/999239296.db2.gz ZEBCCLPIULJHDQ-UHFFFAOYSA-N 0 2 416.275 3.621 20 0 HHADLN CC(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c1 ZINC000487749094 999276293 /nfs/dbraw/zinc/27/62/93/999276293.db2.gz JTSFVEPADHXDLR-UHFFFAOYSA-N 0 2 403.211 3.828 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1nc2c(ccc3c2CCCC3)s1 ZINC000479085835 999286599 /nfs/dbraw/zinc/28/65/99/999286599.db2.gz PILYQVXUNSQVMN-UHFFFAOYSA-N 0 2 404.513 3.993 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc2c(cccc2Cl)s1 ZINC000479108697 999297895 /nfs/dbraw/zinc/29/78/95/999297895.db2.gz OPLQICZHBOSUPN-UHFFFAOYSA-N 0 2 400.840 3.676 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000479159316 999302146 /nfs/dbraw/zinc/30/21/46/999302146.db2.gz RNCOROVBLSZHIS-UHFFFAOYSA-N 0 2 421.906 3.946 20 0 HHADLN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@H]([N@H+]2CC=C(c3cccc(Cl)c3)CC2)C1=O ZINC000479179836 999312704 /nfs/dbraw/zinc/31/27/04/999312704.db2.gz SHITYKMFFKCGGX-FQEVSTJZSA-N 0 2 424.884 3.768 20 0 HHADLN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@H]([N@@H+]2CC=C(c3cccc(Cl)c3)CC2)C1=O ZINC000479179836 999312706 /nfs/dbraw/zinc/31/27/06/999312706.db2.gz SHITYKMFFKCGGX-FQEVSTJZSA-N 0 2 424.884 3.768 20 0 HHADLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000488257017 999412471 /nfs/dbraw/zinc/41/24/71/999412471.db2.gz BJIJTZNSSCXOMS-JTQLQIEISA-N 0 2 421.853 3.525 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(OCCC(C)C)cc2)c(OC)c1 ZINC000488285490 999423946 /nfs/dbraw/zinc/42/39/46/999423946.db2.gz XULBYRYRWCVSSR-UHFFFAOYSA-N 0 2 409.504 3.938 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(OCC(F)(F)F)c(C)c1 ZINC000479481188 999436689 /nfs/dbraw/zinc/43/66/89/999436689.db2.gz PCXMDLCIMNFURF-UHFFFAOYSA-N 0 2 405.394 3.754 20 0 HHADLN Cc1ccc(NC(=O)C(C)(C)C)cc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000479490742 999442022 /nfs/dbraw/zinc/44/20/22/999442022.db2.gz NUIIBFBNBQCKHY-UHFFFAOYSA-N 0 2 418.441 3.539 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)cc1OC ZINC000479505276 999448876 /nfs/dbraw/zinc/44/88/76/999448876.db2.gz UBCCFKUNPKVIAF-UHFFFAOYSA-N 0 2 403.859 3.704 20 0 HHADLN CCNC(=O)Nc1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000479522188 999458377 /nfs/dbraw/zinc/45/83/77/999458377.db2.gz ATKFNWXYJAUNFO-UHFFFAOYSA-N 0 2 416.272 3.530 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnn(CC(F)(F)F)c1 ZINC000479522126 999458579 /nfs/dbraw/zinc/45/85/79/999458579.db2.gz MUCWNQRYJJGQRD-UHFFFAOYSA-N 0 2 407.723 3.918 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c3cccnc23)cc1 ZINC000479550764 999473078 /nfs/dbraw/zinc/47/30/78/999473078.db2.gz CAJMPVPVYYDMIH-UHFFFAOYSA-N 0 2 422.409 3.814 20 0 HHADLN O=C1CCc2cc(NS(=O)(=O)c3cc(F)c(F)cc3F)ccc2N1CC1CC1 ZINC000479562808 999478852 /nfs/dbraw/zinc/47/88/52/999478852.db2.gz ZWPFLTUATOMYOT-UHFFFAOYSA-N 0 2 410.417 3.594 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)cc1F ZINC000479575251 999486014 /nfs/dbraw/zinc/48/60/14/999486014.db2.gz GIKSWSWHYNCHFO-UHFFFAOYSA-N 0 2 406.454 3.763 20 0 HHADLN CC(=O)c1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1 ZINC000488439635 999487730 /nfs/dbraw/zinc/48/77/30/999487730.db2.gz OXKXDIRALGDNQH-UHFFFAOYSA-N 0 2 407.904 3.786 20 0 HHADLN CCc1c(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cnn1Cc1ccccc1 ZINC000479750657 999571426 /nfs/dbraw/zinc/57/14/26/999571426.db2.gz HOGBASKESSKNAQ-UHFFFAOYSA-N 0 2 408.412 3.809 20 0 HHADLN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000479777213 999586241 /nfs/dbraw/zinc/58/62/41/999586241.db2.gz OHMFAVVRNJMTBF-SZMVWBNQSA-N 0 2 411.502 3.693 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc2c(c1)OCCCO2 ZINC000480002905 999682188 /nfs/dbraw/zinc/68/21/88/999682188.db2.gz CUSKVLFPKVKEAD-UHFFFAOYSA-N 0 2 423.903 3.821 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cccc(N3CCCCCC3)c2)cnn1-c1ccccn1 ZINC000480005389 999683298 /nfs/dbraw/zinc/68/32/98/999683298.db2.gz HFXFATWEDNPBOE-UHFFFAOYSA-N 0 2 411.531 3.757 20 0 HHADLN C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000480075695 999710431 /nfs/dbraw/zinc/71/04/31/999710431.db2.gz VNAAZLDTRDWFQY-NSHDSACASA-N 0 2 415.548 3.546 20 0 HHADLN CCOC(=O)c1ccsc1NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000480102810 999717855 /nfs/dbraw/zinc/71/78/55/999717855.db2.gz IUKLKJQQCSHYRK-UHFFFAOYSA-N 0 2 408.270 3.627 20 0 HHADLN O=S(=O)(Nc1noc(COc2ccc(F)cc2)n1)c1cccc(C(F)(F)F)c1 ZINC000480158179 999733248 /nfs/dbraw/zinc/73/32/48/999733248.db2.gz DNMGRVBQROXUMQ-UHFFFAOYSA-N 0 2 417.340 3.607 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000480176253 999736977 /nfs/dbraw/zinc/73/69/77/999736977.db2.gz GICNUSLXJSNWMW-BBRMVZONSA-N 0 2 418.881 3.759 20 0 HHADLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1cc(Cl)cc(Cl)c1OCc1ccccc1 ZINC000480189010 999740112 /nfs/dbraw/zinc/74/01/12/999740112.db2.gz HUETXQTUOQXBLA-UHFFFAOYSA-N 0 2 421.284 3.759 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)c(F)c1 ZINC000480193848 999741481 /nfs/dbraw/zinc/74/14/81/999741481.db2.gz HEKQNKDLMUNHKD-UHFFFAOYSA-N 0 2 414.458 3.565 20 0 HHADLN CC(C)c1c(NS(=O)(=O)c2cccc(C(N)=O)c2)cnn1-c1ccc(Cl)cc1 ZINC000480199615 999743089 /nfs/dbraw/zinc/74/30/89/999743089.db2.gz LZJVKHWNXJGDAJ-UHFFFAOYSA-N 0 2 418.906 3.549 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCSCC2)c(F)c1 ZINC000480208020 999745575 /nfs/dbraw/zinc/74/55/75/999745575.db2.gz HELKUZYDTJJTIH-UHFFFAOYSA-N 0 2 416.927 3.842 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2cc(C(=O)OC)cc(F)c2C)c1C(C)C ZINC000480226422 999750206 /nfs/dbraw/zinc/75/02/06/999750206.db2.gz LQBBYLRNUXNQSU-UHFFFAOYSA-N 0 2 411.499 3.842 20 0 HHADLN CCc1c(NS(=O)(=O)c2cc(OC)cc(OC)c2)cnn1-c1ccccc1Cl ZINC000480228201 999750653 /nfs/dbraw/zinc/75/06/53/999750653.db2.gz SJCDKLZIWCKEPB-UHFFFAOYSA-N 0 2 421.906 3.906 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)c(F)c1 ZINC000480241483 999754497 /nfs/dbraw/zinc/75/44/97/999754497.db2.gz PAYKCEHLDSTHBX-AWEZNQCLSA-N 0 2 404.463 3.930 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c1C ZINC000480243182 999754769 /nfs/dbraw/zinc/75/47/69/999754769.db2.gz DLCCJMXJFPQQEV-DZGCQCFKSA-N 0 2 411.499 3.518 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(Br)c(OC)c2)c1C ZINC000480246914 999755431 /nfs/dbraw/zinc/75/54/31/999755431.db2.gz LNRRRGCWLYSZJS-JTQLQIEISA-N 0 2 402.314 3.734 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)cnn1-c1ccccc1Cl ZINC000480250302 999756333 /nfs/dbraw/zinc/75/63/33/999756333.db2.gz RGJJENKZVVJCCW-UHFFFAOYSA-N 0 2 421.906 3.906 20 0 HHADLN CSc1ccc(NC(=O)Cn2cc(N=c3nc(C(C)(C)C)[nH]s3)cn2)cc1 ZINC000489542408 999788314 /nfs/dbraw/zinc/78/83/14/999788314.db2.gz CZIXVQFCIOGLSL-UHFFFAOYSA-N 0 2 402.549 3.558 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CCSC[C@H](C)C2)cc1 ZINC000489542538 999788529 /nfs/dbraw/zinc/78/85/29/999788529.db2.gz BAJIIDDLEQLBHZ-CQSZACIVSA-N 0 2 410.586 3.682 20 0 HHADLN CC[C@H](CC1CCCC1)C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000490092487 999892143 /nfs/dbraw/zinc/89/21/43/999892143.db2.gz WATIFBCNBVDFQJ-CQSZACIVSA-N 0 2 408.549 3.884 20 0 HHADLN C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 ZINC000491558923 1000083543 /nfs/dbraw/zinc/08/35/43/1000083543.db2.gz HUJMNMYIRXKQBA-KGLIPLIRSA-N 0 2 424.592 3.569 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2Br)cc1F ZINC000491578758 1000085338 /nfs/dbraw/zinc/08/53/38/1000085338.db2.gz JSKNTSGVDJJKGX-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc(C)c1Br ZINC000491589794 1000086602 /nfs/dbraw/zinc/08/66/02/1000086602.db2.gz UISHUFOUKXUROL-UHFFFAOYSA-N 0 2 412.231 3.626 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc3[nH]cnc3c2)cc1 ZINC000504600278 1000287285 /nfs/dbraw/zinc/28/72/85/1000287285.db2.gz ZTWRNMHMWTZPQQ-UHFFFAOYSA-N 0 2 412.496 3.986 20 0 HHADLN COc1ccc(C(C)(C)C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1OC ZINC000495018470 1000781137 /nfs/dbraw/zinc/78/11/37/1000781137.db2.gz PHNBQHXIHCGRHA-UHFFFAOYSA-N 0 2 402.401 3.683 20 0 HHADLN CCCN(Cc1ccc(C)cc1)C(=O)CSc1nc(=O)cc(O)n1C1CCCC1 ZINC000497447323 1001370615 /nfs/dbraw/zinc/37/06/15/1001370615.db2.gz WLTWUHRDTCHBLO-UHFFFAOYSA-N 0 2 415.559 3.903 20 0 HHADLN CC(C)c1ccc(CCNC(=O)CSc2nc(=O)cc(O)n2C2CCCC2)cc1 ZINC000497454484 1001374799 /nfs/dbraw/zinc/37/47/99/1001374799.db2.gz WRXQZMRVYSKPMX-UHFFFAOYSA-N 0 2 415.559 3.638 20 0 HHADLN COc1ccc(C(=O)CCC(=O)N=c2nc(-c3ccsc3)[nH]s2)c(Cl)c1 ZINC000506358412 1001375681 /nfs/dbraw/zinc/37/56/81/1001375681.db2.gz USUJADGSFWXMSQ-UHFFFAOYSA-N 0 2 407.904 3.952 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccc(C)c(NS(=O)(=O)c3ccoc3)c2)c(C)c1 ZINC000506552415 1001457698 /nfs/dbraw/zinc/45/76/98/1001457698.db2.gz HTDVRVUGMYXQBK-UHFFFAOYSA-N 0 2 420.512 3.806 20 0 HHADLN Cc1cnc(NS(=O)(=O)c2c(Br)cc3[nH]c(=O)oc3c2Cl)s1 ZINC000497722418 1001495824 /nfs/dbraw/zinc/49/58/24/1001495824.db2.gz MNHQNBSMKSQAAS-UHFFFAOYSA-N 0 2 424.685 3.515 20 0 HHADLN Cc1cnn(C)c1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1Cl ZINC000506722211 1001505412 /nfs/dbraw/zinc/50/54/12/1001505412.db2.gz QKRSFZSDKCKCSS-UHFFFAOYSA-N 0 2 422.869 3.574 20 0 HHADLN O=C(CCOCC(F)(F)C(F)(F)F)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000497778444 1001511937 /nfs/dbraw/zinc/51/19/37/1001511937.db2.gz IYOAQMWWOJDKOJ-UHFFFAOYSA-N 0 2 415.771 3.823 20 0 HHADLN Cc1ccc(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)s1 ZINC000497794412 1001515869 /nfs/dbraw/zinc/51/58/69/1001515869.db2.gz UIPSGAYTQGUYNP-UHFFFAOYSA-N 0 2 422.557 3.670 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)c1 ZINC000506822187 1001549724 /nfs/dbraw/zinc/54/97/24/1001549724.db2.gz OXBOMYVQKMAXFT-UHFFFAOYSA-N 0 2 404.513 3.690 20 0 HHADLN O=S(=O)([N-]c1ccc(CC[NH+]2CCOCC2)cc1)c1csc2ccccc21 ZINC000506835588 1001557438 /nfs/dbraw/zinc/55/74/38/1001557438.db2.gz QVPIAUAXTUUFLK-UHFFFAOYSA-N 0 2 402.541 3.577 20 0 HHADLN CS(=O)(=O)c1ccc2nc(NS(=O)(=O)c3csc4ccccc43)sc2c1 ZINC000506847948 1001563068 /nfs/dbraw/zinc/56/30/68/1001563068.db2.gz UNJXPWSEEPXLMV-UHFFFAOYSA-N 0 2 424.550 3.715 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)c1 ZINC000506851246 1001564976 /nfs/dbraw/zinc/56/49/76/1001564976.db2.gz MVFDKHMKAQJGJM-UHFFFAOYSA-N 0 2 418.418 3.669 20 0 HHADLN COc1ccc([C@@H](CO)N(C)C(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)cc1 ZINC000497966517 1001582121 /nfs/dbraw/zinc/58/21/21/1001582121.db2.gz AGELLHMSKPZECE-HXUWFJFHSA-N 0 2 409.486 3.516 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)c1cncc(Cl)c1 ZINC000506994603 1001753839 /nfs/dbraw/zinc/75/38/39/1001753839.db2.gz JSDBWGHTDNPSAM-ZDUSSCGKSA-N 0 2 403.287 3.747 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc2c(ccc3c2CCCC3)s1 ZINC000507303830 1001985035 /nfs/dbraw/zinc/98/50/35/1001985035.db2.gz NCYHPGYJPOVBIC-UHFFFAOYSA-N 0 2 420.487 3.902 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N(C)Cc2ccccn2)cc1 ZINC000498751800 1002135810 /nfs/dbraw/zinc/13/58/10/1002135810.db2.gz ZXTHTZROFWSLER-UHFFFAOYSA-N 0 2 401.513 3.525 20 0 HHADLN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(F)cc1OC1CCOCC1 ZINC000507570436 1002174882 /nfs/dbraw/zinc/17/48/82/1002174882.db2.gz UHIAZQMDHPCKMU-UHFFFAOYSA-N 0 2 409.479 3.810 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(F)c(C(C)=O)c1 ZINC000507630538 1002233942 /nfs/dbraw/zinc/23/39/42/1002233942.db2.gz QKBFUCPTSVMMIQ-UHFFFAOYSA-N 0 2 420.245 3.923 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2c(C)cccc2F)c(C)cc1Br ZINC000507648127 1002248193 /nfs/dbraw/zinc/24/81/93/1002248193.db2.gz FHSLYHMBBYNCGO-UHFFFAOYSA-N 0 2 416.268 3.792 20 0 HHADLN CCOC(=O)C(C)(C)n1cc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)cn1 ZINC000507888802 1002421321 /nfs/dbraw/zinc/42/13/21/1002421321.db2.gz NQNYRVPYHJOJQL-UHFFFAOYSA-N 0 2 413.499 3.649 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000507900109 1002434323 /nfs/dbraw/zinc/43/43/23/1002434323.db2.gz AJIKEKUVGNERME-SECBINFHSA-N 0 2 418.302 3.748 20 0 HHADLN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2cccc3cccnc32)c1 ZINC000499169866 1002556606 /nfs/dbraw/zinc/55/66/06/1002556606.db2.gz VOEZTOYCAWBJLZ-UHFFFAOYSA-N 0 2 406.305 3.864 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)CSCC2)c1ccc(F)c(Br)c1 ZINC000508067180 1002588794 /nfs/dbraw/zinc/58/87/94/1002588794.db2.gz HVQVZEGKGVDXIC-UHFFFAOYSA-N 0 2 409.327 3.635 20 0 HHADLN O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2ccc3c(Cl)cccc3n2)c1 ZINC000508069824 1002591736 /nfs/dbraw/zinc/59/17/36/1002591736.db2.gz UBHVJXSIVYZCTB-UHFFFAOYSA-N 0 2 401.875 3.581 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccc4c(Cl)cccc4n3)cc21 ZINC000508088292 1002611336 /nfs/dbraw/zinc/61/13/36/1002611336.db2.gz JDDXMVGFIRHGHO-UHFFFAOYSA-N 0 2 401.875 3.598 20 0 HHADLN Cc1ccc(Cl)c2sc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)nc21 ZINC000508089104 1002612194 /nfs/dbraw/zinc/61/21/94/1002612194.db2.gz NPDNJQQTZVKUNB-UHFFFAOYSA-N 0 2 409.876 3.504 20 0 HHADLN Cc1ccc(Cl)c2sc(NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)nc21 ZINC000508090549 1002613073 /nfs/dbraw/zinc/61/30/73/1002613073.db2.gz WYBXZRCQCWIXLO-UHFFFAOYSA-N 0 2 421.931 3.951 20 0 HHADLN COc1ccc(Br)cc1S(=O)(=O)Nc1nc2c(s1)CSCC2 ZINC000508090291 1002613503 /nfs/dbraw/zinc/61/35/03/1002613503.db2.gz VPCOPSCPGXBEAF-UHFFFAOYSA-N 0 2 421.363 3.504 20 0 HHADLN O=S(=O)(Nc1nc2c(cccc2Br)s1)c1cccc2c1OCO2 ZINC000508099077 1002623814 /nfs/dbraw/zinc/62/38/14/1002623814.db2.gz CUZSDMOBKKEMRW-UHFFFAOYSA-N 0 2 413.274 3.588 20 0 HHADLN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1cc(Br)ccc1F ZINC000508110442 1002636725 /nfs/dbraw/zinc/63/67/25/1002636725.db2.gz DLVTZLWVYJQPLD-UHFFFAOYSA-N 0 2 421.313 3.740 20 0 HHADLN COCc1cnc(NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)s1 ZINC000508127373 1002657447 /nfs/dbraw/zinc/65/74/47/1002657447.db2.gz YVRFKGXETRXHDW-UHFFFAOYSA-N 0 2 414.455 3.887 20 0 HHADLN Cc1ccsc1S(=O)(=O)Nc1nnc(-c2cccc(Br)c2)o1 ZINC000508128694 1002659392 /nfs/dbraw/zinc/65/93/92/1002659392.db2.gz PRGLVSNAPQBFCX-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2nc3c(s2)CSCC3)c1 ZINC000508130210 1002661519 /nfs/dbraw/zinc/66/15/19/1002661519.db2.gz YHHHHFCCEQXUFU-UHFFFAOYSA-N 0 2 405.364 3.804 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)o2)c(C)c1 ZINC000508146861 1002682282 /nfs/dbraw/zinc/68/22/82/1002682282.db2.gz WOGJNTXKUHFDKS-UHFFFAOYSA-N 0 2 424.276 3.617 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)ncn2)cc1OC ZINC000508222464 1002752284 /nfs/dbraw/zinc/75/22/84/1002752284.db2.gz KKPZBQJGWMXYCV-UHFFFAOYSA-N 0 2 405.863 3.615 20 0 HHADLN COc1ccc(CCc2nnc(NS(=O)(=O)c3csc4ccccc43)o2)cc1 ZINC000508234528 1002761037 /nfs/dbraw/zinc/76/10/37/1002761037.db2.gz GWZLDDSIPLAOBN-UHFFFAOYSA-N 0 2 415.496 3.879 20 0 HHADLN COc1cccc([C@@H](C)N2CCN(C(=O)N=c3nc(-c4ccccc4)[nH]s3)CC2)c1 ZINC000508270269 1002786425 /nfs/dbraw/zinc/78/64/25/1002786425.db2.gz GRUXALBBEWLKJS-MRXNPFEDSA-N 0 2 423.542 3.546 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](C)c3ccccc3OC(F)F)=N2)cc1 ZINC000499542799 1002927209 /nfs/dbraw/zinc/92/72/09/1002927209.db2.gz FLYODECPZHIMJT-GFCCVEGCSA-N 0 2 403.385 3.679 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](c3ccccc3)c3ccccn3)=N2)cc1 ZINC000499582340 1002959574 /nfs/dbraw/zinc/95/95/74/1002959574.db2.gz BSFQJNDIDDMUQD-NRFANRHFSA-N 0 2 400.438 3.501 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NCc3csc(-c4ccccc4)n3)=N2)cc1 ZINC000499596130 1002971637 /nfs/dbraw/zinc/97/16/37/1002971637.db2.gz IYOZXDIKQPBSGV-UHFFFAOYSA-N 0 2 406.467 3.640 20 0 HHADLN C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1nc2ccccc2n1C(F)F ZINC000499624504 1002992866 /nfs/dbraw/zinc/99/28/66/1002992866.db2.gz GXNYCESUHVBXOE-NSHDSACASA-N 0 2 415.375 3.953 20 0 HHADLN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499624957 1002993001 /nfs/dbraw/zinc/99/30/01/1002993001.db2.gz ZVGNBMXHODCXCM-UHFFFAOYSA-N 0 2 419.460 3.509 20 0 HHADLN CCOc1ccccc1C1=CCN(C(=O)C2=NN(c3ccc(OC)cc3)CC2=O)CC1 ZINC000499636546 1003001975 /nfs/dbraw/zinc/00/19/75/1003001975.db2.gz NSCFEVKPGYTUNY-UHFFFAOYSA-N 0 2 419.481 3.915 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](C)Cc3nc4ccccc4s3)=N2)cc1 ZINC000499703178 1003053882 /nfs/dbraw/zinc/05/38/82/1003053882.db2.gz UVAIJPXWCZMCOW-CYBMUJFWSA-N 0 2 408.483 3.557 20 0 HHADLN CCOc1ccc([C@@H]2CCCN2C(=O)C2=NN(c3ccc(OC)cc3)CC2=O)cc1 ZINC000499725203 1003072865 /nfs/dbraw/zinc/07/28/65/1003072865.db2.gz VAVJQNKVJSQBQM-FQEVSTJZSA-N 0 2 407.470 3.963 20 0 HHADLN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499865468 1003202126 /nfs/dbraw/zinc/20/21/26/1003202126.db2.gz BHQZILCMOCYJTM-UHFFFAOYSA-N 0 2 409.339 3.888 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NCCc3csc(-c4ccccc4)n3)=N2)cc1 ZINC000499876484 1003213177 /nfs/dbraw/zinc/21/31/77/1003213177.db2.gz YSZJBPMYCFVXCZ-UHFFFAOYSA-N 0 2 420.494 3.683 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC(COc4ccccc4)CC3)=N2)cc1 ZINC000499893410 1003228169 /nfs/dbraw/zinc/22/81/69/1003228169.db2.gz NIFXOZURFGFUTN-UHFFFAOYSA-N 0 2 407.470 3.518 20 0 HHADLN Cn1ccnc1Sc1ccc(Cl)cc1NS(=O)(=O)c1cccc2c1OCO2 ZINC000509067928 1003529257 /nfs/dbraw/zinc/52/92/57/1003529257.db2.gz PVVGEPGDEOULRE-UHFFFAOYSA-N 0 2 423.903 3.754 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCC(c4noc(C5CC5)n4)CC3)=N2)c1 ZINC000500227860 1003566386 /nfs/dbraw/zinc/56/63/86/1003566386.db2.gz IXGCNJSONPFQDP-UHFFFAOYSA-N 0 2 421.501 3.982 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccc(Cl)c2)ns1)c1cnc2ccccc2c1 ZINC000509216215 1003630477 /nfs/dbraw/zinc/63/04/77/1003630477.db2.gz FDVLEEYXLHRCLV-UHFFFAOYSA-N 0 2 402.888 3.629 20 0 HHADLN CC(C)NC(=O)c1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000500354396 1003652947 /nfs/dbraw/zinc/65/29/47/1003652947.db2.gz BOFGGPQCFLZEFB-UHFFFAOYSA-N 0 2 415.284 3.527 20 0 HHADLN COCCOc1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1F ZINC000500364850 1003662560 /nfs/dbraw/zinc/66/25/60/1003662560.db2.gz UERPEUQSFODXQK-UHFFFAOYSA-N 0 2 422.247 3.553 20 0 HHADLN COc1cncc(S(=O)(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)c1 ZINC000500474712 1003736894 /nfs/dbraw/zinc/73/68/94/1003736894.db2.gz FSPMWFFUNRYSLX-UHFFFAOYSA-N 0 2 409.920 3.900 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(Cl)ccc(C)c3n2)cc1OC ZINC000500476145 1003738040 /nfs/dbraw/zinc/73/80/40/1003738040.db2.gz KONNWGWVSIPYOU-UHFFFAOYSA-N 0 2 420.874 3.793 20 0 HHADLN CO[C@@H]1CCC[C@@H](Oc2ccnc(NS(=O)(=O)c3ccc(C)cc3Cl)n2)C1 ZINC000500566131 1003786957 /nfs/dbraw/zinc/78/69/57/1003786957.db2.gz BVDPOVHYTUISKL-ZIAGYGMSSA-N 0 2 411.911 3.576 20 0 HHADLN CO[C@@H]1CCC[C@@H](Oc2ccnc(NS(=O)(=O)c3cc(C)ccc3Cl)n2)C1 ZINC000500569283 1003789652 /nfs/dbraw/zinc/78/96/52/1003789652.db2.gz QHVUPGNZYVTNRB-ZIAGYGMSSA-N 0 2 411.911 3.576 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(-c2cncc(F)c2)ccc1C ZINC000509392394 1003822682 /nfs/dbraw/zinc/82/26/82/1003822682.db2.gz PSGUHEZIHYYPBR-UHFFFAOYSA-N 0 2 418.421 3.923 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc(Cc2ccccn2)ccc1C ZINC000509395559 1003826496 /nfs/dbraw/zinc/82/64/96/1003826496.db2.gz DBLIWKSTMCINOD-UHFFFAOYSA-N 0 2 414.458 3.707 20 0 HHADLN COCCN(C(=O)c1c[nH]c2c(cnn2C)c1=O)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000511898055 1003875364 /nfs/dbraw/zinc/87/53/64/1003875364.db2.gz WGBMXUWHNZDWMB-GFCCVEGCSA-N 0 2 422.407 3.543 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cccc(Br)c1 ZINC000509639982 1003998611 /nfs/dbraw/zinc/99/86/11/1003998611.db2.gz VVOQSVUSOPDBRC-UHFFFAOYSA-N 0 2 404.669 3.690 20 0 HHADLN C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2c[nH]c3c(cnn3C)c2=O)C1 ZINC000512143629 1004055156 /nfs/dbraw/zinc/05/51/56/1004055156.db2.gz BQQLSHMVVVGAPW-BDJLRTHQSA-N 0 2 404.392 3.916 20 0 HHADLN C[C@H]1CCN(C(=O)c2c[nH]c3c(cnn3C)c2=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000512160956 1004067908 /nfs/dbraw/zinc/06/79/08/1004067908.db2.gz TUIWMTAYPNJGOY-MEDUHNTESA-N 0 2 404.392 3.916 20 0 HHADLN C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000512175834 1004078071 /nfs/dbraw/zinc/07/80/71/1004078071.db2.gz RJUSYCJKECRFAU-AOMKIAJQSA-N 0 2 412.493 3.893 20 0 HHADLN O=S(=O)(Nc1nccs1)c1cccc(NCc2ccc(-n3ccnc3)cc2)c1 ZINC000512663431 1004473798 /nfs/dbraw/zinc/47/37/98/1004473798.db2.gz LJUVWUIPJOFNSB-UHFFFAOYSA-N 0 2 411.512 3.742 20 0 HHADLN CCc1nnc(-c2ccc(NS(=O)(=O)c3ccc(Cl)cc3C(=O)OC)cc2)o1 ZINC000512780602 1004556179 /nfs/dbraw/zinc/55/61/79/1004556179.db2.gz CZEWRHHSWDFOER-UHFFFAOYSA-N 0 2 421.862 3.540 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN4CC[C@H](COC(F)F)C4)nc(=O)c3s2)cc1 ZINC000512818273 1004578801 /nfs/dbraw/zinc/57/88/01/1004578801.db2.gz QYEIQOTUTVECML-LBPRGKRZSA-N 0 2 421.469 3.721 20 0 HHADLN O=C(CS(=O)(=O)CCCc1ccccc1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000501975529 1004840908 /nfs/dbraw/zinc/84/09/08/1004840908.db2.gz CLPUDNLYOLDLKF-UHFFFAOYSA-N 0 2 402.299 3.685 20 0 HHADLN Cc1oc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1S(=O)(=O)N1CCCC1 ZINC000501989664 1004849228 /nfs/dbraw/zinc/84/92/28/1004849228.db2.gz IDAUOKFIKMXRMT-UHFFFAOYSA-N 0 2 419.286 3.637 20 0 HHADLN O=c1[nH]nc(CSc2nc3cc(Cl)ccc3c(=O)n2-c2ccc(Cl)cc2)[nH]1 ZINC000513252834 1004880715 /nfs/dbraw/zinc/88/07/15/1004880715.db2.gz PDQKIUTXGBJHGT-UHFFFAOYSA-N 0 2 420.281 3.809 20 0 HHADLN O=C(NCCCCc1ccc(Cl)s1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000502189579 1004947629 /nfs/dbraw/zinc/94/76/29/1004947629.db2.gz YLUMPSKFQICAMR-UHFFFAOYSA-N 0 2 419.938 3.921 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN4CCOC[C@@H]4CC(F)F)nc(=O)c3s2)cc1 ZINC000513412034 1004952436 /nfs/dbraw/zinc/95/24/36/1004952436.db2.gz SQZKRWKTLGENNA-ZDUSSCGKSA-N 0 2 421.469 3.516 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c1F ZINC000513436489 1004965931 /nfs/dbraw/zinc/96/59/31/1004965931.db2.gz GEBXCMKGYVYLHO-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)c1F ZINC000513451879 1004973132 /nfs/dbraw/zinc/97/31/32/1004973132.db2.gz JYBXMQIXXWOLKL-UHFFFAOYSA-N 0 2 412.899 3.868 20 0 HHADLN COc1ccc(OC(F)F)c(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)c1 ZINC000511147079 1005044760 /nfs/dbraw/zinc/04/47/60/1005044760.db2.gz RLYAWSXYJMYRKB-UHFFFAOYSA-N 0 2 413.320 3.996 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)c1 ZINC000502398173 1005056448 /nfs/dbraw/zinc/05/64/48/1005056448.db2.gz JGJOZYYOWQXMDY-HNNXBMFYSA-N 0 2 405.520 3.587 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2ccc(Cl)cc2C)c1 ZINC000502427622 1005072219 /nfs/dbraw/zinc/07/22/19/1005072219.db2.gz YGOWUARYMPNKRG-UHFFFAOYSA-N 0 2 401.843 3.774 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1 ZINC000502437087 1005075915 /nfs/dbraw/zinc/07/59/15/1005075915.db2.gz BMXZYVRUFUYLEG-UHFFFAOYSA-N 0 2 402.241 3.600 20 0 HHADLN CCn1cc([C@H]2OCCC[C@@H]2NC(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)cn1 ZINC000502438556 1005076417 /nfs/dbraw/zinc/07/64/17/1005076417.db2.gz SHNQTENCZAZQAC-SIKLNZKXSA-N 0 2 423.517 3.568 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cccc(C(=O)Nc2ccccc2)c1 ZINC000502522926 1005100983 /nfs/dbraw/zinc/10/09/83/1005100983.db2.gz DHQURHORDMNJMK-UHFFFAOYSA-N 0 2 401.451 3.527 20 0 HHADLN COc1cccc(C(F)(F)CNS(=O)(=O)c2c(Cl)cc(F)cc2Cl)n1 ZINC000511361658 1005138609 /nfs/dbraw/zinc/13/86/09/1005138609.db2.gz RGDRIUPGHBDRIH-UHFFFAOYSA-N 0 2 415.220 3.606 20 0 HHADLN COC(=O)c1ccc(-n2cc(C)cn2)c(NS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000513818920 1005143291 /nfs/dbraw/zinc/14/32/91/1005143291.db2.gz MLZWTFRNNRGHCH-UHFFFAOYSA-N 0 2 423.853 3.561 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2ccc(CSC)cc2)c1 ZINC000502779831 1005214380 /nfs/dbraw/zinc/21/43/80/1005214380.db2.gz ZUQAARPUHLAVBY-UHFFFAOYSA-N 0 2 413.492 3.675 20 0 HHADLN O=C(Cc1ccc(OCc2ccccn2)cc1)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000502969059 1005296766 /nfs/dbraw/zinc/29/67/66/1005296766.db2.gz KGEZLUMWERVDCP-UHFFFAOYSA-N 0 2 403.417 3.766 20 0 HHADLN CC(C)[C@H]1C[C@@H](CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CCO1 ZINC000514168760 1005297226 /nfs/dbraw/zinc/29/72/26/1005297226.db2.gz AURXVBCKHQEMTD-WMLDXEAASA-N 0 2 423.560 3.724 20 0 HHADLN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c(C)c1 ZINC000514301536 1005334224 /nfs/dbraw/zinc/33/42/24/1005334224.db2.gz JVGWPKAHBSGPMX-UHFFFAOYSA-N 0 2 410.499 3.763 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N[C@@H]2CCOc3c(Br)cccc32)s[nH]1 ZINC000503095944 1005346169 /nfs/dbraw/zinc/34/61/69/1005346169.db2.gz FTSGJXXAFDXTBV-LLVKDONJSA-N 0 2 411.325 3.665 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C(C)(C)C)cc1 ZINC000503987183 1005526507 /nfs/dbraw/zinc/52/65/07/1005526507.db2.gz NFKPHFDZCMFPTL-UHFFFAOYSA-N 0 2 413.499 3.893 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000504026321 1005535489 /nfs/dbraw/zinc/53/54/89/1005535489.db2.gz OGIIRORYJGMHBK-UHFFFAOYSA-N 0 2 416.268 3.909 20 0 HHADLN O=c1[nH]c2cc(NS(=O)(=O)c3c(Cl)cc(F)cc3Br)ccc2o1 ZINC000504230930 1005578461 /nfs/dbraw/zinc/57/84/61/1005578461.db2.gz WZPJAZGQFMQBTM-UHFFFAOYSA-N 0 2 421.631 3.889 20 0 HHADLN CCCN(C(=O)C1=NN(c2ccc(F)cc2)CC1=O)[C@H](C)CC(=O)Nc1ccccc1 ZINC000504253170 1005582890 /nfs/dbraw/zinc/58/28/90/1005582890.db2.gz HLPRHZWIQKDATK-MRXNPFEDSA-N 0 2 424.476 3.987 20 0 HHADLN CCCc1csc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)n1 ZINC000504358637 1005606238 /nfs/dbraw/zinc/60/62/38/1005606238.db2.gz HSENEKRWFNRBOX-UHFFFAOYSA-N 0 2 408.530 3.605 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)c1 ZINC000504377476 1005611846 /nfs/dbraw/zinc/61/18/46/1005611846.db2.gz XTSDHTXHHMKOFJ-GJZGRUSLSA-N 0 2 418.515 3.605 20 0 HHADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1cccc(Cl)c1O ZINC000531106469 1005997005 /nfs/dbraw/zinc/99/70/05/1005997005.db2.gz SYPBZQBSUITIIZ-UHFFFAOYSA-N 0 2 406.685 3.926 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000534065069 1006036317 /nfs/dbraw/zinc/03/63/17/1006036317.db2.gz TVBYSNFNZGJRAJ-SFHVURJKSA-N 0 2 414.412 3.625 20 0 HHADLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C)c1 ZINC000514628810 1006058999 /nfs/dbraw/zinc/05/89/99/1006058999.db2.gz LCBLIQUKVHUKRL-UHFFFAOYSA-N 0 2 419.890 3.730 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000531341920 1006134306 /nfs/dbraw/zinc/13/43/06/1006134306.db2.gz YVJLCJUUOQGVNT-UHFFFAOYSA-N 0 2 416.453 3.981 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc(N(C)C)nc2)sc1Cc1ccc(C)cc1 ZINC000514832316 1006162521 /nfs/dbraw/zinc/16/25/21/1006162521.db2.gz JMKAFAJTHASOKH-UHFFFAOYSA-N 0 2 402.545 3.613 20 0 HHADLN C[C@@H](C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)c1cnn(C)c1 ZINC000531416896 1006182065 /nfs/dbraw/zinc/18/20/65/1006182065.db2.gz GTJSWUYBKSUAMQ-CQSZACIVSA-N 0 2 405.483 3.895 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cccc(-c3nnco3)c2)cnn1-c1ccc(Cl)cc1 ZINC000534205360 1006197772 /nfs/dbraw/zinc/19/77/72/1006197772.db2.gz ZKGPOCWPYWHZOI-UHFFFAOYSA-N 0 2 415.862 3.685 20 0 HHADLN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O ZINC000531464071 1006213608 /nfs/dbraw/zinc/21/36/08/1006213608.db2.gz ZXMSIDVOBXKWCQ-RBUKOAKNSA-N 0 2 412.534 3.563 20 0 HHADLN CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O ZINC000531520002 1006248818 /nfs/dbraw/zinc/24/88/18/1006248818.db2.gz MHOXIMOFVVIXGE-KRWDZBQOSA-N 0 2 408.506 3.681 20 0 HHADLN Cc1ccccc1-c1nnc(NS(=O)(=O)c2cc(Br)ccc2F)o1 ZINC000515175340 1006324538 /nfs/dbraw/zinc/32/45/38/1006324538.db2.gz GVPVTUMZWZICCA-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN COC(=O)CCSc1cccc(NS(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000534402265 1006377604 /nfs/dbraw/zinc/37/76/04/1006377604.db2.gz PMSVFJADZMJFHE-UHFFFAOYSA-N 0 2 405.419 3.560 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2O)cc1 ZINC000531755820 1006399019 /nfs/dbraw/zinc/39/90/19/1006399019.db2.gz BVVHIABAWZWOCT-UHFFFAOYSA-N 0 2 416.430 3.593 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000534433721 1006409846 /nfs/dbraw/zinc/40/98/46/1006409846.db2.gz VQLYUGYHFVLZKQ-UHFFFAOYSA-N 0 2 417.281 3.767 20 0 HHADLN Cc1c([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000531965625 1006550664 /nfs/dbraw/zinc/55/06/64/1006550664.db2.gz HUERDSPIWXEZQI-KBMIEXCESA-N 0 2 421.564 3.959 20 0 HHADLN COC(=O)c1csc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 ZINC000531971654 1006553489 /nfs/dbraw/zinc/55/34/89/1006553489.db2.gz NPTBKFOFOSOMEW-UHFFFAOYSA-N 0 2 406.261 3.940 20 0 HHADLN CN(CCCc1ccccc1)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000534601656 1006582350 /nfs/dbraw/zinc/58/23/50/1006582350.db2.gz PGJHBNMEESOXGO-UHFFFAOYSA-N 0 2 415.540 3.649 20 0 HHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)cc1 ZINC000534616092 1006596553 /nfs/dbraw/zinc/59/65/53/1006596553.db2.gz FFMUDRCQILURPT-UHFFFAOYSA-N 0 2 407.499 3.914 20 0 HHADLN CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc4cc(Cl)ccc4s3)cc21 ZINC000532113910 1006646916 /nfs/dbraw/zinc/64/69/16/1006646916.db2.gz MDAGIHOXCUVVKX-UHFFFAOYSA-N 0 2 407.904 3.980 20 0 HHADLN COC(=O)CCc1csc(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)n1 ZINC000532263471 1006756538 /nfs/dbraw/zinc/75/65/38/1006756538.db2.gz WBFNBRLTRQVCOD-UHFFFAOYSA-N 0 2 414.508 3.621 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)c1 ZINC000534795096 1006798529 /nfs/dbraw/zinc/79/85/29/1006798529.db2.gz XUGFSZZMKSSUSZ-UHFFFAOYSA-N 0 2 403.504 3.689 20 0 HHADLN CC1(C)c2cc(S(=O)(=O)Nc3cnccc3Oc3ccccc3)ccc2NC1=O ZINC000532367955 1006825373 /nfs/dbraw/zinc/82/53/73/1006825373.db2.gz XGAKEPIDKPHSRF-UHFFFAOYSA-N 0 2 409.467 3.904 20 0 HHADLN CCC(CC)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 ZINC000534883944 1006910961 /nfs/dbraw/zinc/91/09/61/1006910961.db2.gz FPKCMMRSSWGTAB-CQSZACIVSA-N 0 2 404.536 3.905 20 0 HHADLN CC(C)Cn1cc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c(C(F)F)n1 ZINC000534902608 1006933586 /nfs/dbraw/zinc/93/35/86/1006933586.db2.gz NKEXXKUBGSAVDZ-UHFFFAOYSA-N 0 2 412.462 3.552 20 0 HHADLN COCCOc1ccc(S(=O)(=O)Nc2cn(CC(C)C)nc2C(F)F)cc1C ZINC000534903703 1006935148 /nfs/dbraw/zinc/93/51/48/1006935148.db2.gz ZYQQBYFHDSCDLK-UHFFFAOYSA-N 0 2 417.478 3.611 20 0 HHADLN Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)N(C)[C@H](c3ccccc3)c3ccc(F)cc3)C2)n1 ZINC000538665360 1006947498 /nfs/dbraw/zinc/94/74/98/1006947498.db2.gz YVYDZYIAWURUHJ-NZQKXSOJSA-N 0 2 421.520 3.680 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000538707442 1006984035 /nfs/dbraw/zinc/98/40/35/1006984035.db2.gz FWCCOKASOBUXOI-UHFFFAOYSA-N 0 2 410.503 3.820 20 0 HHADLN Cc1c(Cl)cccc1S(=O)(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000538713578 1006987558 /nfs/dbraw/zinc/98/75/58/1006987558.db2.gz XOSYGXUFIPOCBG-UHFFFAOYSA-N 0 2 416.952 3.526 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN4CCOCC45CCCC5)nc(=O)c3s2)cc1 ZINC000534962517 1007011230 /nfs/dbraw/zinc/01/12/30/1007011230.db2.gz ASZBJCVYBFOOPR-UHFFFAOYSA-N 0 2 411.527 3.805 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(C(=O)OC)cc(C)c2C)c1C1CC1 ZINC000534972187 1007029513 /nfs/dbraw/zinc/02/95/13/1007029513.db2.gz LKXMDFHKOPOTRM-CYBMUJFWSA-N 0 2 405.520 3.936 20 0 HHADLN CN1CC[C@@H](NC(=O)c2cccc(Br)c2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000535023722 1007069585 /nfs/dbraw/zinc/06/95/85/1007069585.db2.gz QWUFEOOWLIUPSE-CVEARBPZSA-N 0 2 411.246 3.608 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc3c(ccc(F)c3F)s2)c2cccnc12 ZINC000535041976 1007077714 /nfs/dbraw/zinc/07/77/14/1007077714.db2.gz CARTZMNRIRNXDG-UHFFFAOYSA-N 0 2 407.423 3.932 20 0 HHADLN Cc1nc([C@@H](NS(=O)(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)cc2)no1 ZINC000538847151 1007120602 /nfs/dbraw/zinc/12/06/02/1007120602.db2.gz WPOSIEBCAJDYHY-AWEZNQCLSA-N 0 2 417.796 3.517 20 0 HHADLN COC(=O)CCSc1cccc(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)c1 ZINC000535136346 1007174928 /nfs/dbraw/zinc/17/49/28/1007174928.db2.gz ATVGKCKLIKOPMQ-UHFFFAOYSA-N 0 2 411.549 3.537 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccc2Br)c1)c1ccc(F)c(F)c1 ZINC000535138522 1007176538 /nfs/dbraw/zinc/17/65/38/1007176538.db2.gz QOEODIBCKAUOAN-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN CCc1noc(C)c1NS(=O)(=O)c1cc(Br)ccc1Br ZINC000532846211 1007231684 /nfs/dbraw/zinc/23/16/84/1007231684.db2.gz VWJCJANLODXZOD-UHFFFAOYSA-N 0 2 424.114 3.871 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cccnc2C(F)(F)F)ccc1Br ZINC000516755106 1007274813 /nfs/dbraw/zinc/27/48/13/1007274813.db2.gz SMGMWSZDHVYNPL-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cccc(C(=O)CC)c2)nc1C(C)C ZINC000535230935 1007283292 /nfs/dbraw/zinc/28/32/92/1007283292.db2.gz PQNUVVHTQXZXTD-UHFFFAOYSA-N 0 2 410.517 3.837 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N(Cc3ccncc3)C[C@@H]3CCCO3)=N2)c1 ZINC000516855635 1007322977 /nfs/dbraw/zinc/32/29/77/1007322977.db2.gz HMXKNXXSDWXWRT-NRFANRHFSA-N 0 2 420.513 3.918 20 0 HHADLN Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]c1ccc(C[NH+]2CCOCC2)cc1 ZINC000539110932 1007397749 /nfs/dbraw/zinc/39/77/49/1007397749.db2.gz GCLYYQKTKVTSAE-UHFFFAOYSA-N 0 2 404.463 3.513 20 0 HHADLN CC(C)Oc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000539115768 1007403483 /nfs/dbraw/zinc/40/34/83/1007403483.db2.gz HWEQIJCSNDLMHP-LJQANCHMSA-N 0 2 412.515 3.785 20 0 HHADLN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cc(F)ccc1SCC(F)F ZINC000535400206 1007467333 /nfs/dbraw/zinc/46/73/33/1007467333.db2.gz YHBRGQSMZCFWDU-UHFFFAOYSA-N 0 2 423.409 3.909 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2cccc(OCc3ccccc3OC)c2C)cn1 ZINC000535402474 1007470189 /nfs/dbraw/zinc/47/01/89/1007470189.db2.gz HCWJWKOZUFUGLE-UHFFFAOYSA-N 0 2 401.488 3.600 20 0 HHADLN CC(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)c1C ZINC000517159562 1007470575 /nfs/dbraw/zinc/47/05/75/1007470575.db2.gz XSABOOUWFJYFJB-UHFFFAOYSA-N 0 2 413.858 3.505 20 0 HHADLN CC(C)S(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000539234298 1007529133 /nfs/dbraw/zinc/52/91/33/1007529133.db2.gz SSUPAHPRSSEASV-UHFFFAOYSA-N 0 2 408.328 3.976 20 0 HHADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1cn(CC(C)C)nc1C(F)F ZINC000535618742 1007622884 /nfs/dbraw/zinc/62/28/84/1007622884.db2.gz XBFKPMNKPDYZIG-UHFFFAOYSA-N 0 2 421.853 3.718 20 0 HHADLN O=C(C[C@@H]1C=CCC1)Nc1ccccc1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000517401404 1007626611 /nfs/dbraw/zinc/62/66/11/1007626611.db2.gz JGPLEOPYUQMJFO-OAHLLOKOSA-N 0 2 414.483 3.553 20 0 HHADLN CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)Cc3ccccc3)n2)c(F)c1 ZINC000535689674 1007722928 /nfs/dbraw/zinc/72/29/28/1007722928.db2.gz KVTUEUGDYAGZAB-UHFFFAOYSA-N 0 2 405.476 3.850 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)=N1 ZINC000539445587 1007756637 /nfs/dbraw/zinc/75/66/37/1007756637.db2.gz BRMFIJXVICFFRS-UZLBHIALSA-N 0 2 417.387 3.564 20 0 HHADLN CCc1nc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)nn1-c1ccccc1Cl ZINC000517553861 1007766022 /nfs/dbraw/zinc/76/60/22/1007766022.db2.gz DFGNJOPTTXWVBX-UHFFFAOYSA-N 0 2 416.919 3.737 20 0 HHADLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC000517569490 1007776190 /nfs/dbraw/zinc/77/61/90/1007776190.db2.gz VJSLQDSJCOYPDQ-FQEVSTJZSA-N 0 2 424.526 3.805 20 0 HHADLN COc1cccc(CO[C@@H](C)C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c1 ZINC000517647450 1007858750 /nfs/dbraw/zinc/85/87/50/1007858750.db2.gz HLUNZJTVGOAULJ-LBPRGKRZSA-N 0 2 403.891 3.833 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@@H](C)c3ccc([S@@](C)=O)cc3)=N2)cc1 ZINC000535954119 1007988859 /nfs/dbraw/zinc/98/88/59/1007988859.db2.gz MPNMHSXYNSEBMV-PEGYKEAPSA-N 0 2 411.527 3.930 20 0 HHADLN COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(Br)cc1Cl ZINC000517926648 1008059616 /nfs/dbraw/zinc/05/96/16/1008059616.db2.gz JFPXIJUKWYQQGY-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3cc(C(C)(C)C)nn3-c3ccccn3)ccc2O1 ZINC000518006493 1008098622 /nfs/dbraw/zinc/09/86/22/1008098622.db2.gz FFMVBZXWFWOTKW-CQSZACIVSA-N 0 2 412.515 3.689 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(Cc2ccco2)Cc2cccnc2)=N1 ZINC000533807349 1008125519 /nfs/dbraw/zinc/12/55/19/1008125519.db2.gz MFRMUYDOGHTLIV-UHFFFAOYSA-N 0 2 406.417 3.856 20 0 HHADLN O=S(=O)(Nc1cnn(-c2cnc3ccccc3n2)c1)c1c(Cl)cccc1Cl ZINC000533893642 1008186954 /nfs/dbraw/zinc/18/69/54/1008186954.db2.gz CVDCVTPOYDRTNW-UHFFFAOYSA-N 0 2 420.281 3.923 20 0 HHADLN CC(C)c1ccc([C@@H]2CCCN2C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)cc1 ZINC000533934547 1008216933 /nfs/dbraw/zinc/21/69/33/1008216933.db2.gz UZGBXRFRGPXGCU-INIZCTEOSA-N 0 2 400.548 3.683 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1 ZINC000533938269 1008219860 /nfs/dbraw/zinc/21/98/60/1008219860.db2.gz FQJFJROWWWZGFH-UHFFFAOYSA-N 0 2 413.890 3.571 20 0 HHADLN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000533952598 1008229564 /nfs/dbraw/zinc/22/95/64/1008229564.db2.gz XKJAFXDTKHGYDY-UHFFFAOYSA-N 0 2 402.403 3.600 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cnn(CC(C)C)c3C(F)F)s[nH]2)c1 ZINC000534006660 1008262534 /nfs/dbraw/zinc/26/25/34/1008262534.db2.gz YWDZPAMRUZJEFI-UHFFFAOYSA-N 0 2 407.446 3.678 20 0 HHADLN O=S(=O)(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc2c(c1)CCCO2 ZINC000540078013 1008275627 /nfs/dbraw/zinc/27/56/27/1008275627.db2.gz INBCXKCNLFWWAF-UHFFFAOYSA-N 0 2 406.467 3.522 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)NC(C)(C)C)c2)sc1C ZINC000540210156 1008336748 /nfs/dbraw/zinc/33/67/48/1008336748.db2.gz XLUPLLJIXIVESU-UHFFFAOYSA-N 0 2 416.590 3.551 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3cc(C)c(C)s3)s2)c1 ZINC000540209980 1008336888 /nfs/dbraw/zinc/33/68/88/1008336888.db2.gz WENMPHHQUZTVFJ-UHFFFAOYSA-N 0 2 422.553 4.000 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(OC(F)(F)F)cc1 ZINC000518662252 1008383860 /nfs/dbraw/zinc/38/38/60/1008383860.db2.gz WCCPFUIBKGKLSE-UHFFFAOYSA-N 0 2 403.313 3.575 20 0 HHADLN CCC(=O)Nc1ccc(F)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000518784864 1008419390 /nfs/dbraw/zinc/41/93/90/1008419390.db2.gz VKQQMTONYCGKSZ-UHFFFAOYSA-N 0 2 401.257 3.738 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc(N(C)C)nc2)sc1Cc1cccc(C)c1 ZINC000518850758 1008445785 /nfs/dbraw/zinc/44/57/85/1008445785.db2.gz XKLRTHFLTGVNDS-UHFFFAOYSA-N 0 2 402.545 3.613 20 0 HHADLN C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000519061672 1008514946 /nfs/dbraw/zinc/51/49/46/1008514946.db2.gz CSXGYCFZWMZQGK-QGZVFWFLSA-N 0 2 424.526 3.688 20 0 HHADLN CN(CC(=O)Nc1cc(Cl)cc(Cl)c1O)C(=O)c1ccc(Br)o1 ZINC000545444099 1008557147 /nfs/dbraw/zinc/55/71/47/1008557147.db2.gz NDLQVJLRDZUDFO-UHFFFAOYSA-N 0 2 422.062 3.765 20 0 HHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1cncc(I)c1 ZINC000545445000 1008557921 /nfs/dbraw/zinc/55/79/21/1008557921.db2.gz VJVGJFUYIQCRLQ-UHFFFAOYSA-N 0 2 409.010 3.951 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c(C)c1F ZINC000543021537 1008601213 /nfs/dbraw/zinc/60/12/13/1008601213.db2.gz MOJYXHLNOROPFN-UHFFFAOYSA-N 0 2 409.870 3.842 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000543023182 1008604204 /nfs/dbraw/zinc/60/42/04/1008604204.db2.gz JWZQAJFQMUWSSR-UHFFFAOYSA-N 0 2 402.255 3.783 20 0 HHADLN COC(=O)c1ccc(C(C)C)c(NS(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000519217685 1008622582 /nfs/dbraw/zinc/62/25/82/1008622582.db2.gz AZSZLNNZCBRVGM-UHFFFAOYSA-N 0 2 402.394 3.811 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(C(=O)OC)cc2)cnn1-c1cccc(F)c1 ZINC000543162733 1008736717 /nfs/dbraw/zinc/73/67/17/1008736717.db2.gz LGFIUNOKEKIUDQ-UHFFFAOYSA-N 0 2 417.462 3.551 20 0 HHADLN CC(C)Oc1c(F)cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1F ZINC000543163822 1008738782 /nfs/dbraw/zinc/73/87/82/1008738782.db2.gz HWYIFGAQBUAGHE-UHFFFAOYSA-N 0 2 414.405 3.577 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H]3CCc4cc(F)c(OC)cc43)s[nH]2)c1 ZINC000549197291 1008770621 /nfs/dbraw/zinc/77/06/21/1008770621.db2.gz SFDAOKOKLPKPCU-INIZCTEOSA-N 0 2 414.462 3.592 20 0 HHADLN CC1CCN(C(=O)C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)CC1 ZINC000549257098 1008828045 /nfs/dbraw/zinc/82/80/45/1008828045.db2.gz VBDNNXJVAVFDRF-UHFFFAOYSA-N 0 2 422.510 3.616 20 0 HHADLN C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC(C)(C)C1 ZINC000543326706 1008909540 /nfs/dbraw/zinc/90/95/40/1008909540.db2.gz KZKZFUBHGAQHRD-CYBMUJFWSA-N 0 2 408.549 3.844 20 0 HHADLN COc1ccc(OCCS(=O)(=O)Nc2ccc(Cl)cc2OC(F)F)cc1 ZINC000545832266 1008917215 /nfs/dbraw/zinc/91/72/15/1008917215.db2.gz GPAHJLIHJDGUQF-UHFFFAOYSA-N 0 2 407.822 3.771 20 0 HHADLN CCCC[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cnn(-c4ccccc4F)c3)c2C1 ZINC000543446114 1009032314 /nfs/dbraw/zinc/03/23/14/1009032314.db2.gz AGUGBFWWQQYCPJ-UHFFFAOYSA-N 0 2 414.506 3.928 20 0 HHADLN CCCC[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cnn(-c4ccccc4F)c3)c2C1 ZINC000543446114 1009032325 /nfs/dbraw/zinc/03/23/25/1009032325.db2.gz AGUGBFWWQQYCPJ-UHFFFAOYSA-N 0 2 414.506 3.928 20 0 HHADLN C[C@H](C(F)(F)F)S(=O)(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000546059634 1009082891 /nfs/dbraw/zinc/08/28/91/1009082891.db2.gz PIDCMGPXPADTBH-ZCFIWIBFSA-N 0 2 400.633 3.896 20 0 HHADLN C[C@H](C(F)(F)F)S(=O)(=O)NC(Cc1ccccc1F)Cc1ccccc1F ZINC000546070771 1009092945 /nfs/dbraw/zinc/09/29/45/1009092945.db2.gz JXBAWXXYKNQDAM-GFCCVEGCSA-N 0 2 407.404 3.989 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2cc(CC(C)(C)C)nn2C)c1 ZINC000546180761 1009210347 /nfs/dbraw/zinc/21/03/47/1009210347.db2.gz LUTRLRGMAXFGPY-UHFFFAOYSA-N 0 2 416.341 3.581 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCc1cnn(Cc2ccccc2)c1 ZINC000543655460 1009260568 /nfs/dbraw/zinc/26/05/68/1009260568.db2.gz HQKUZSXBQUZROP-UHFFFAOYSA-N 0 2 424.917 3.847 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCO[C@@H](c2ccccc2)C1 ZINC000543655975 1009261949 /nfs/dbraw/zinc/26/19/49/1009261949.db2.gz KCOXHGQHGTUIGJ-MRXNPFEDSA-N 0 2 400.891 3.886 20 0 HHADLN CC(=O)CCc1ccc(O[C@H](C)C(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1 ZINC000520221725 1009348677 /nfs/dbraw/zinc/34/86/77/1009348677.db2.gz ULSLJOCMCYNVNA-CYBMUJFWSA-N 0 2 401.513 3.616 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)CCc1ccc(OC(F)(F)F)cc1 ZINC000549733080 1009355711 /nfs/dbraw/zinc/35/57/11/1009355711.db2.gz ZXIFPGUXOKVMMT-UHFFFAOYSA-N 0 2 406.364 3.956 20 0 HHADLN CCCN1Cc2cccc(NS(=O)(=O)c3cc(Cl)ccc3C(=O)OC)c2C1 ZINC000543792078 1009359065 /nfs/dbraw/zinc/35/90/65/1009359065.db2.gz VJGHNCKINVQJDQ-UHFFFAOYSA-N 0 2 408.907 3.653 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccccc1-c1ccno1 ZINC000543865056 1009432652 /nfs/dbraw/zinc/43/26/52/1009432652.db2.gz PLJSRUYYXOAISA-OAHLLOKOSA-N 0 2 418.446 3.839 20 0 HHADLN CSc1nc(C)c(CCC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c(C)n1 ZINC000520321480 1009449861 /nfs/dbraw/zinc/44/98/61/1009449861.db2.gz VHMIFHHSMOBDEN-UHFFFAOYSA-N 0 2 419.963 3.980 20 0 HHADLN Oc1c(Br)cccc1-c1nc(-c2ccc(N3CCOCC3)c(F)c2)no1 ZINC000546442921 1009460815 /nfs/dbraw/zinc/46/08/15/1009460815.db2.gz TUBUUJCBPLKMHY-UHFFFAOYSA-N 0 2 420.238 3.847 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2C)c(OC(F)F)c1 ZINC000520334046 1009468193 /nfs/dbraw/zinc/46/81/93/1009468193.db2.gz RYVARTIPOBZHDZ-UHFFFAOYSA-N 0 2 405.806 3.837 20 0 HHADLN Cc1ccc2c(n1)[nH]cc(C(=O)N1CCO[C@@H](c3ccc(C(F)(F)F)cc3)C1)c2=O ZINC000543948125 1009543062 /nfs/dbraw/zinc/54/30/62/1009543062.db2.gz MCCMYBRTPJAWBF-QGZVFWFLSA-N 0 2 417.387 3.876 20 0 HHADLN O=C1C[C@H](c2noc(-c3cccc(Br)c3O)n2)CN1Cc1ccccc1 ZINC000546547426 1009569274 /nfs/dbraw/zinc/56/92/74/1009569274.db2.gz GJRJVHCCIIAEHG-ZDUSSCGKSA-N 0 2 414.259 3.721 20 0 HHADLN COC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000544078054 1009683158 /nfs/dbraw/zinc/68/31/58/1009683158.db2.gz XESIMBWTNZOWSN-UHFFFAOYSA-N 0 2 405.444 3.596 20 0 HHADLN Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000544094865 1009704813 /nfs/dbraw/zinc/70/48/13/1009704813.db2.gz FNKNRZHPDWEZIN-UHFFFAOYSA-N 0 2 401.536 3.759 20 0 HHADLN O=C(c1ccccc1OCc1ccccc1Cl)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000550183849 1009759804 /nfs/dbraw/zinc/75/98/04/1009759804.db2.gz NHPDEZZWQAUNMF-CQSZACIVSA-N 0 2 412.877 3.763 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccnn2Cc2ccccc2F)ccc1Br ZINC000520699078 1009765970 /nfs/dbraw/zinc/76/59/70/1009765970.db2.gz CDNYCVSTODLLCG-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1O)C2=O ZINC000546857329 1009817930 /nfs/dbraw/zinc/81/79/30/1009817930.db2.gz KRZDJQGPNSKTIF-GOSISDBHSA-N 0 2 414.289 3.528 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2cncnc2-c2ccccc2)c1 ZINC000546884085 1009844636 /nfs/dbraw/zinc/84/46/36/1009844636.db2.gz VLHIGJMZMGPGCC-UHFFFAOYSA-N 0 2 420.288 3.716 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2ccnn2Cc2ccccc2)c1 ZINC000546886388 1009846848 /nfs/dbraw/zinc/84/68/48/1009846848.db2.gz QOIKKHLIQMVJNU-UHFFFAOYSA-N 0 2 422.304 3.503 20 0 HHADLN Cc1ccc(Cn2nccc2NS(=O)(=O)c2ccc(F)cc2Br)cc1 ZINC000550436721 1009936726 /nfs/dbraw/zinc/93/67/26/1009936726.db2.gz HRRUVOIIOFRTLV-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN O=C(CSc1nnc(-c2ccc(F)cc2)o1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000520967244 1010011073 /nfs/dbraw/zinc/01/10/73/1010011073.db2.gz LPFPIGFRAUGHPO-UHFFFAOYSA-N 0 2 419.488 3.608 20 0 HHADLN C[C@H]1Sc2ccc(C(=O)N=c3nc(-c4cccc(Cl)c4)[nH]s3)cc2NC1=O ZINC000520970267 1010013406 /nfs/dbraw/zinc/01/34/06/1010013406.db2.gz YATSFGDRYDOAPN-SECBINFHSA-N 0 2 416.915 3.965 20 0 HHADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])C[C@@H](C)O1 ZINC000550597575 1010055100 /nfs/dbraw/zinc/05/51/00/1010055100.db2.gz KGAUEWGKADEKHJ-HZPDHXFCSA-N 0 2 424.476 3.579 20 0 HHADLN O=C(N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)c1cnn2c1OCCC2 ZINC000550766192 1010163563 /nfs/dbraw/zinc/16/35/63/1010163563.db2.gz OBMBNUVAIWKHPP-UHFFFAOYSA-N 0 2 419.466 3.651 20 0 HHADLN CCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(Br)c2O)cc1 ZINC000521247354 1010253520 /nfs/dbraw/zinc/25/35/20/1010253520.db2.gz IBKFNFZUUVCNCU-UHFFFAOYSA-N 0 2 413.293 3.559 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000544635391 1010259543 /nfs/dbraw/zinc/25/95/43/1010259543.db2.gz JEZLNKUTVPXXOQ-HZPDHXFCSA-N 0 2 400.891 3.932 20 0 HHADLN CCc1nc(C2(NC(=O)N=c3nc(-c4ccccc4Cl)[nH]s3)CCCC2)no1 ZINC000544638517 1010262972 /nfs/dbraw/zinc/26/29/72/1010262972.db2.gz BCZWCVCYYGVYEU-UHFFFAOYSA-N 0 2 418.910 3.817 20 0 HHADLN Cc1ccnc2c1cccc2S(=O)(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000547631129 1010372140 /nfs/dbraw/zinc/37/21/40/1010372140.db2.gz MMIWZONSTLVKSQ-UHFFFAOYSA-N 0 2 414.487 3.925 20 0 HHADLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000551110498 1010376083 /nfs/dbraw/zinc/37/60/83/1010376083.db2.gz XDBQFJMNRVILSU-UHFFFAOYSA-N 0 2 410.879 3.522 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2c(C)cccc2OC)cc1C(F)(F)F ZINC000551116349 1010380273 /nfs/dbraw/zinc/38/02/73/1010380273.db2.gz WYZSBIPANYLHAC-UHFFFAOYSA-N 0 2 403.378 3.610 20 0 HHADLN CC(C)CNS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)cc1 ZINC000544812870 1010406177 /nfs/dbraw/zinc/40/61/77/1010406177.db2.gz SDRDZIRHKHTLQP-UHFFFAOYSA-N 0 2 417.314 3.886 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc3cc[nH]c32)c(Br)c1 ZINC000547822171 1010439371 /nfs/dbraw/zinc/43/93/71/1010439371.db2.gz UBELFUGKJRKHGG-UHFFFAOYSA-N 0 2 409.261 3.518 20 0 HHADLN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)c(C)c1 ZINC000521539899 1010449724 /nfs/dbraw/zinc/44/97/24/1010449724.db2.gz WTBUFVZEXNNWSH-LLVKDONJSA-N 0 2 400.422 3.741 20 0 HHADLN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000548043255 1010511517 /nfs/dbraw/zinc/51/15/17/1010511517.db2.gz BEQCCKUNWBWNPP-UHFFFAOYSA-N 0 2 400.460 3.522 20 0 HHADLN COCc1nc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)sc1C(=O)OC ZINC000551403432 1010564042 /nfs/dbraw/zinc/56/40/42/1010564042.db2.gz QTLYHIOLIMULEP-UHFFFAOYSA-N 0 2 424.544 3.925 20 0 HHADLN COC(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000521749943 1010590815 /nfs/dbraw/zinc/59/08/15/1010590815.db2.gz YFXADQTUGASOQE-UHFFFAOYSA-N 0 2 418.446 3.749 20 0 HHADLN CN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)ccc21 ZINC000548359955 1010600112 /nfs/dbraw/zinc/60/01/12/1010600112.db2.gz VFPUHFIWNKYDKQ-UHFFFAOYSA-N 0 2 402.369 3.554 20 0 HHADLN Cn1ccnc1-c1cccc(NS(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000521764326 1010600295 /nfs/dbraw/zinc/60/02/95/1010600295.db2.gz FOBXYGMOQITFSO-UHFFFAOYSA-N 0 2 410.268 3.790 20 0 HHADLN CCc1ccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)cc1F ZINC000551467521 1010603662 /nfs/dbraw/zinc/60/36/62/1010603662.db2.gz XNRLGMOTNRHFFG-UHFFFAOYSA-N 0 2 401.843 3.638 20 0 HHADLN O=c1c(NS(=O)(=O)c2c(Cl)ccc(F)c2F)cccn1Cc1ccccc1 ZINC000551474834 1010609205 /nfs/dbraw/zinc/60/92/05/1010609205.db2.gz RIMKLSFFVINAFC-UHFFFAOYSA-N 0 2 410.829 3.629 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ccccc3OCc3cscn3)cc12 ZINC000545123084 1010629440 /nfs/dbraw/zinc/62/94/40/1010629440.db2.gz UQCHHRSLZUNOCU-UHFFFAOYSA-N 0 2 416.484 3.622 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)Cc3cccc(C)c3)s2)c1 ZINC000545148397 1010648181 /nfs/dbraw/zinc/64/81/81/1010648181.db2.gz OAACLUQAEWXCLO-UHFFFAOYSA-N 0 2 416.524 3.771 20 0 HHADLN CC(=O)c1ccc(S(=O)(=O)Nc2nc3cc4c(cc3s2)OC(F)(F)O4)cc1 ZINC000521849706 1010658995 /nfs/dbraw/zinc/65/89/95/1010658995.db2.gz VHUZGOSFIFSRMZ-UHFFFAOYSA-N 0 2 412.395 3.621 20 0 HHADLN CC(C)(C)Cc1cc(NS(=O)(=O)c2cnn(CC(F)F)c2)n(-c2ccccc2)n1 ZINC000548610742 1010681653 /nfs/dbraw/zinc/68/16/53/1010681653.db2.gz JBXLTYMSVXXGOK-UHFFFAOYSA-N 0 2 423.489 3.723 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ncnc2cc(F)c(Br)cc21 ZINC000545220732 1010690180 /nfs/dbraw/zinc/69/01/80/1010690180.db2.gz RLMSNJKCMNSGGG-UHFFFAOYSA-N 0 2 420.267 3.878 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc(CN2CCCC2=O)cc1 ZINC000521935279 1010723138 /nfs/dbraw/zinc/72/31/38/1010723138.db2.gz KZXHQOFUMUGBNN-UHFFFAOYSA-N 0 2 412.902 3.655 20 0 HHADLN CC(C)c1noc(-c2ccc(NS(=O)(=O)c3cnn(Cc4ccccc4)c3)cc2)n1 ZINC000551678099 1010736919 /nfs/dbraw/zinc/73/69/19/1010736919.db2.gz ZAHPBODXVRMFIY-UHFFFAOYSA-N 0 2 423.498 3.906 20 0 HHADLN CCCCOc1ccc(-c2nnc(NS(=O)(=O)c3sccc3OC)o2)cc1 ZINC000522059157 1010784118 /nfs/dbraw/zinc/78/41/18/1010784118.db2.gz HDOXTGDSUVJQSZ-UHFFFAOYSA-N 0 2 409.489 3.786 20 0 HHADLN O=S(=O)(Nc1cnn(Cc2ccncc2)c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000522207170 1010866360 /nfs/dbraw/zinc/86/63/60/1010866360.db2.gz DGQSPUSLTQWQBR-UHFFFAOYSA-N 0 2 402.479 3.698 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(Br)o1 ZINC000522240396 1010883583 /nfs/dbraw/zinc/88/35/83/1010883583.db2.gz HNCDJMWWADQXBB-UHFFFAOYSA-N 0 2 412.041 3.842 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000522362996 1010958261 /nfs/dbraw/zinc/95/82/61/1010958261.db2.gz LHIRWJYEEXRYGX-UHFFFAOYSA-N 0 2 404.536 3.508 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCCC3)cc2)nc(C)n1 ZINC000522392094 1010976388 /nfs/dbraw/zinc/97/63/88/1010976388.db2.gz OZOGPUXKJPAYCU-UHFFFAOYSA-N 0 2 402.520 3.803 20 0 HHADLN O=S(=O)(Nc1nc(/C=C\c2ccccc2)cs1)c1cccc2c1OCCO2 ZINC000522738105 1011186161 /nfs/dbraw/zinc/18/61/61/1011186161.db2.gz OMWYIRUDCLJSLL-KTKRTIGZSA-N 0 2 400.481 3.886 20 0 HHADLN O=S(=O)(Nc1cccc2c1CN(c1nccs1)C2)c1ccc(F)c(F)c1F ZINC000536103201 1011222502 /nfs/dbraw/zinc/22/25/02/1011222502.db2.gz IZYCXWYAALXCSL-UHFFFAOYSA-N 0 2 411.430 3.881 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1CCC(F)(F)CC1 ZINC000536172178 1011304367 /nfs/dbraw/zinc/30/43/67/1011304367.db2.gz BGXINNFYHKQIRC-UHFFFAOYSA-N 0 2 401.460 3.708 20 0 HHADLN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1cn(-c2cccc(Cl)c2F)nn1 ZINC000540656435 1011308649 /nfs/dbraw/zinc/30/86/49/1011308649.db2.gz PWVIIFBPJNVREW-UHFFFAOYSA-N 0 2 418.219 3.751 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Nc2ccc(F)cc2)cn1 ZINC000540696133 1011348263 /nfs/dbraw/zinc/34/82/63/1011348263.db2.gz GNMCAIHGVXXUNP-UHFFFAOYSA-N 0 2 401.419 3.552 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)[C@@H]1COc2ccc(Br)cc21 ZINC000536266642 1011435978 /nfs/dbraw/zinc/43/59/78/1011435978.db2.gz KXDKIVYUKVAANA-LLVKDONJSA-N 0 2 408.302 3.566 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N[C@H](c2ccc(Cl)cc2)C2CCCC2)s[nH]1 ZINC000523036824 1011506071 /nfs/dbraw/zinc/50/60/71/1011506071.db2.gz SZOLIGMLUYSNBU-HNNXBMFYSA-N 0 2 420.966 3.897 20 0 HHADLN CC(C)Cn1cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c(C(F)F)n1 ZINC000536415254 1011630015 /nfs/dbraw/zinc/63/00/15/1011630015.db2.gz WMXPKKMWNXZHKV-UHFFFAOYSA-N 0 2 412.462 3.507 20 0 HHADLN CCSCc1ccnc(NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)c1 ZINC000536421652 1011638493 /nfs/dbraw/zinc/63/84/93/1011638493.db2.gz WEVSQBIXDYZERD-UHFFFAOYSA-N 0 2 400.909 3.576 20 0 HHADLN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ncc(C3CCCCC3)s2)c1 ZINC000541069898 1011708480 /nfs/dbraw/zinc/70/84/80/1011708480.db2.gz AMDKUVHEZNIUHO-UHFFFAOYSA-N 0 2 414.574 3.785 20 0 HHADLN CCc1nc(C(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)nn1-c1ccccc1Cl ZINC000523317160 1011792337 /nfs/dbraw/zinc/79/23/37/1011792337.db2.gz LYNFVLNHQOBQGU-UHFFFAOYSA-N 0 2 407.865 3.829 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)cn1 ZINC000536700404 1011870098 /nfs/dbraw/zinc/87/00/98/1011870098.db2.gz UMSZSLGIEKMJER-UHFFFAOYSA-N 0 2 418.283 3.586 20 0 HHADLN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)cn1 ZINC000536702635 1011872464 /nfs/dbraw/zinc/87/24/64/1011872464.db2.gz IUCMEITWCVGLOL-UHFFFAOYSA-N 0 2 409.514 3.553 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000541289621 1011987067 /nfs/dbraw/zinc/98/70/67/1011987067.db2.gz AGLOCAPWLHDTED-UHFFFAOYSA-N 0 2 423.539 3.538 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)[C@H](OC)c1ccccc1 ZINC000551917506 1012023607 /nfs/dbraw/zinc/02/36/07/1012023607.db2.gz QSIFUTCYMGAQMH-RBBKRZOGSA-N 0 2 407.514 3.613 20 0 HHADLN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000552029361 1012055388 /nfs/dbraw/zinc/05/53/88/1012055388.db2.gz UEOUJTVXJUFVBD-CYBMUJFWSA-N 0 2 405.462 3.762 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)sc1C ZINC000536904757 1012166495 /nfs/dbraw/zinc/16/64/95/1012166495.db2.gz LAMSLOKFCRIWKU-UHFFFAOYSA-N 0 2 412.492 3.966 20 0 HHADLN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000541515717 1012296349 /nfs/dbraw/zinc/29/63/49/1012296349.db2.gz WTQFUIFFXZRDQE-UHFFFAOYSA-N 0 2 423.816 3.804 20 0 HHADLN C[C@@H](CCC1CCCCC1)NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 ZINC000523737169 1012357358 /nfs/dbraw/zinc/35/73/58/1012357358.db2.gz MFQJBRJKHZQSHR-AWEZNQCLSA-N 0 2 424.592 3.761 20 0 HHADLN COc1ccc(-n2c(SCc3n[nH]c(=O)[nH]3)nnc2-c2ccccc2)cc1Cl ZINC000537046774 1012367329 /nfs/dbraw/zinc/36/73/29/1012367329.db2.gz HRSKENNXZWHPFZ-UHFFFAOYSA-N 0 2 414.878 3.712 20 0 HHADLN O=S(=O)(Nc1cccc(Cl)c1N1CCOCC1)c1cccc2cccnc21 ZINC000523793650 1012453458 /nfs/dbraw/zinc/45/34/58/1012453458.db2.gz SRBYDXOSBNKBIZ-UHFFFAOYSA-N 0 2 403.891 3.526 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c1 ZINC000537197073 1012615002 /nfs/dbraw/zinc/61/50/02/1012615002.db2.gz JHVGERDVORUNOQ-UHFFFAOYSA-N 0 2 404.488 3.720 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCO[C@@H](c4ccccc4C)C3)s[nH]2)c1 ZINC000541762278 1012624422 /nfs/dbraw/zinc/62/44/22/1012624422.db2.gz WHEDPHLFDTYTTH-GOSISDBHSA-N 0 2 410.499 3.549 20 0 HHADLN CCC(CC)c1cc(CNC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)on1 ZINC000541762235 1012624741 /nfs/dbraw/zinc/62/47/41/1012624741.db2.gz SHEGKMUILOFXCM-UHFFFAOYSA-N 0 2 401.492 3.849 20 0 HHADLN CC(=O)Nc1ccc(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1 ZINC000541799072 1012676286 /nfs/dbraw/zinc/67/62/86/1012676286.db2.gz SOQFZVJGBBXNHV-UHFFFAOYSA-N 0 2 401.879 3.561 20 0 HHADLN CC(=O)N1CCc2cc(NC(=O)N=c3nc(-c4cccc(Cl)c4)[nH]s3)ccc21 ZINC000541800842 1012679755 /nfs/dbraw/zinc/67/97/55/1012679755.db2.gz UUYKRFOHLLZDQI-UHFFFAOYSA-N 0 2 413.890 3.833 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1F ZINC000524049996 1012802729 /nfs/dbraw/zinc/80/27/29/1012802729.db2.gz DTAYBTJEOPMJJW-UHFFFAOYSA-N 0 2 417.531 3.950 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2)c(C)o1 ZINC000537348498 1012813179 /nfs/dbraw/zinc/81/31/79/1012813179.db2.gz XBVOZODNSQUZJT-UHFFFAOYSA-N 0 2 424.475 3.637 20 0 HHADLN CCCc1cnc(NS(=O)(=O)c2cccc(I)c2)s1 ZINC000537353493 1012820425 /nfs/dbraw/zinc/82/04/25/1012820425.db2.gz XTRUQDOUNVDZMA-UHFFFAOYSA-N 0 2 408.286 3.501 20 0 HHADLN CCc1nc2cc(S(=O)(=O)Nc3c(-c4ccccn4)nc4ccccn43)ccc2o1 ZINC000542000098 1012880329 /nfs/dbraw/zinc/88/03/29/1012880329.db2.gz BYTBGOYECJALLL-UHFFFAOYSA-N 0 2 419.466 3.901 20 0 HHADLN CCc1nc2cc(S(=O)(=O)Nc3nc4ccc(NC(C)=O)cc4s3)ccc2o1 ZINC000542012290 1012896311 /nfs/dbraw/zinc/89/63/11/1012896311.db2.gz SCMQYVNWXVZFAD-UHFFFAOYSA-N 0 2 416.484 3.759 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N2CCO[C@H](c3ccc(C(F)(F)F)cc3)C2)s[nH]1 ZINC000542026930 1012922485 /nfs/dbraw/zinc/92/24/85/1012922485.db2.gz ZWJAGFQYMBFDBF-ZDUSSCGKSA-N 0 2 414.453 3.882 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(C)=O)c(Cl)c2)c(Cl)c1 ZINC000542091973 1013017835 /nfs/dbraw/zinc/01/78/35/1013017835.db2.gz CBGYFDFHDHHFNS-UHFFFAOYSA-N 0 2 402.255 3.783 20 0 HHADLN O=C(NCc1ccc(-c2nc(-c3ccccc3Br)no2)o1)C(F)(F)F ZINC000904964095 1071954486 /nfs/dbraw/zinc/95/44/86/1071954486.db2.gz ZWFBPJNYHAQWND-UHFFFAOYSA-N 0 2 416.153 3.938 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccccc1COC1CCOCC1 ZINC000488224428 1072145145 /nfs/dbraw/zinc/14/51/45/1072145145.db2.gz CWTVZSRZBWUKOG-UHFFFAOYSA-N 0 2 414.412 3.698 20 0 HHADLN O=S(=O)(Nc1cc(F)cc(F)c1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000488235094 1072151115 /nfs/dbraw/zinc/15/11/15/1072151115.db2.gz UOHBMTBIBOIUFL-NSHDSACASA-N 0 2 403.834 3.834 20 0 HHADLN COCc1cc(Cl)cc(S(=O)(=O)Nc2ccnn2Cc2ccc(C)cc2)c1 ZINC000571011820 1072545935 /nfs/dbraw/zinc/54/59/35/1072545935.db2.gz BXDODCGZCSMWHX-UHFFFAOYSA-N 0 2 405.907 3.840 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ncc(-c2cccc(C)c2)s1 ZINC000571477426 1072632289 /nfs/dbraw/zinc/63/22/89/1072632289.db2.gz BAWNXTWEFTUTBS-UHFFFAOYSA-N 0 2 406.460 3.845 20 0 HHADLN COc1cc(S(=O)(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CCC3)ccc1F ZINC000479127588 1072738318 /nfs/dbraw/zinc/73/83/18/1072738318.db2.gz HFOHOVXWEVOYJR-UHFFFAOYSA-N 0 2 421.881 3.963 20 0 HHADLN O=S(=O)(Nc1nc2cc(F)c(Br)cc2s1)c1cncc(F)c1 ZINC000479132481 1072741772 /nfs/dbraw/zinc/74/17/72/1072741772.db2.gz WKKCCOYCEKTAKO-UHFFFAOYSA-N 0 2 406.233 3.533 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC000479133930 1072744538 /nfs/dbraw/zinc/74/45/38/1072744538.db2.gz MKKFZNQSYVRMOP-UHFFFAOYSA-N 0 2 405.501 3.640 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2nccc(-c3ccccc3)n2)c1 ZINC000479136777 1072748784 /nfs/dbraw/zinc/74/87/84/1072748784.db2.gz YYMULIWWDOLVNZ-UHFFFAOYSA-N 0 2 420.288 3.716 20 0 HHADLN O=S(=O)(Nc1nnc(/C=C/c2ccco2)s1)c1ccc(Br)cc1 ZINC000479117830 1072754725 /nfs/dbraw/zinc/75/47/25/1072754725.db2.gz IGMVUXYSSRIVQL-VMPITWQZSA-N 0 2 412.290 3.865 20 0 HHADLN O=S(=O)(Nc1nnc(/C=C\c2ccco2)s1)c1ccc(Br)cc1 ZINC000479117831 1072754815 /nfs/dbraw/zinc/75/48/15/1072754815.db2.gz IGMVUXYSSRIVQL-YVMONPNESA-N 0 2 412.290 3.865 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cccnc2N2CCCCC2)c(Br)c1 ZINC000479142940 1072764778 /nfs/dbraw/zinc/76/47/78/1072764778.db2.gz RKOCDCBETHNHQD-UHFFFAOYSA-N 0 2 410.337 3.944 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nc3ccsc3s2)cc1F)N1CCCC1 ZINC000479145668 1072767868 /nfs/dbraw/zinc/76/78/68/1072767868.db2.gz MPUBVZMWXZCXET-UHFFFAOYSA-N 0 2 411.505 3.534 20 0 HHADLN Cc1noc2ncc(S(=O)(=O)Nc3ccccc3NC(=O)c3ccccc3)cc12 ZINC000588621739 1073061258 /nfs/dbraw/zinc/06/12/58/1073061258.db2.gz AXWKKGVXTWRZGL-UHFFFAOYSA-N 0 2 408.439 3.584 20 0 HHADLN Cc1noc2ncc(S(=O)(=O)Nc3ccc(Oc4ccc(F)cc4)nc3)cc12 ZINC000588625723 1073065382 /nfs/dbraw/zinc/06/53/82/1073065382.db2.gz JRIPOJLTVUEOPS-UHFFFAOYSA-N 0 2 400.391 3.658 20 0 HHADLN CCc1cnc(NS(=O)(=O)c2cc(Cl)c(OCCOC)c(Cl)c2)s1 ZINC000572279157 1073246024 /nfs/dbraw/zinc/24/60/24/1073246024.db2.gz VQFJJJXWPKISJI-UHFFFAOYSA-N 0 2 411.332 3.838 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc2[nH]ccc21 ZINC000588856126 1073309232 /nfs/dbraw/zinc/30/92/32/1073309232.db2.gz HJMITITYDYVLDQ-UHFFFAOYSA-N 0 2 414.361 3.654 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2cc(C)cc3cccnc32)sc1C(C)C ZINC000588948428 1073354954 /nfs/dbraw/zinc/35/49/54/1073354954.db2.gz JRBQSJRSOVTLAN-UHFFFAOYSA-N 0 2 405.501 3.711 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cc(F)ccc2N2CCCCC2)cc1OC ZINC000588908129 1073356259 /nfs/dbraw/zinc/35/62/59/1073356259.db2.gz KAYVVHILJMDIPW-UHFFFAOYSA-N 0 2 412.458 3.773 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)s[nH]1 ZINC000589937723 1073422942 /nfs/dbraw/zinc/42/29/42/1073422942.db2.gz STASDGUDQZJCDK-GOSISDBHSA-N 0 2 412.481 3.651 20 0 HHADLN CC(C)c1ccc(-n2cnnc2SCC(=O)N=c2nc(C(C)(C)C)[nH]s2)cc1 ZINC000589988496 1073465572 /nfs/dbraw/zinc/46/55/72/1073465572.db2.gz MTUFFTRQCOSDFD-UHFFFAOYSA-N 0 2 416.576 3.692 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ncc(-c4ccccc4F)s3)cc21 ZINC000555459183 1073518713 /nfs/dbraw/zinc/51/87/13/1073518713.db2.gz VGKZEYHWXXMSDX-UHFFFAOYSA-N 0 2 417.487 3.659 20 0 HHADLN CCOc1ccc(C(=O)CCC(=O)N=c2nc(C(C)(C)C)[nH]s2)cc1OCC ZINC000590120224 1073567735 /nfs/dbraw/zinc/56/77/35/1073567735.db2.gz RPBUTVTXOOLKHA-UHFFFAOYSA-N 0 2 405.520 3.657 20 0 HHADLN CCc1c(C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)nnn1-c1cccc(Cl)c1 ZINC000555529055 1073602272 /nfs/dbraw/zinc/60/22/72/1073602272.db2.gz ZYJCGEMEWIIPJJ-UHFFFAOYSA-N 0 2 423.864 3.535 20 0 HHADLN O=C(c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)N1CCC[C@@H](C2OCCO2)C1 ZINC000760812235 1074165916 /nfs/dbraw/zinc/16/59/16/1074165916.db2.gz ZCNQCLVFZRWTRK-MRXNPFEDSA-N 0 2 420.465 3.546 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1OCC(F)(F)F ZINC000591795492 1074545243 /nfs/dbraw/zinc/54/52/43/1074545243.db2.gz OXCNGQJAJWOBIM-UHFFFAOYSA-N 0 2 415.311 3.854 20 0 HHADLN CC(C)OCCOCc1cccc(NS(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000591796843 1074546280 /nfs/dbraw/zinc/54/62/80/1074546280.db2.gz HWOFEFIYAIIHAE-UHFFFAOYSA-N 0 2 403.422 3.846 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3oc(C(C)C)nc3c2)c(OC)c1 ZINC000573911030 1074673629 /nfs/dbraw/zinc/67/36/29/1074673629.db2.gz GVQYYMDIARRLJH-UHFFFAOYSA-N 0 2 404.444 3.547 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N(C)CCc3ccc(Br)cc3)c[nH]c2n1 ZINC000592877418 1075129475 /nfs/dbraw/zinc/12/94/75/1075129475.db2.gz SMPHJANKTNFQDI-UHFFFAOYSA-N 0 2 400.276 3.721 20 0 HHADLN O=C(Nc1c(F)cccc1F)c1nc(-c2ccccc2CN2CCSC2=O)no1 ZINC001212173475 1075190723 /nfs/dbraw/zinc/19/07/23/1075190723.db2.gz HMTRDCSLQVJCGB-UHFFFAOYSA-N 0 2 416.409 3.936 20 0 HHADLN O=S(=O)(Cc1ccccc1NS(=O)(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000594576373 1075337891 /nfs/dbraw/zinc/33/78/91/1075337891.db2.gz HPVQDTGHZPZWNY-UHFFFAOYSA-N 0 2 423.462 3.740 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1cc(F)cc(F)c1 ZINC000596533706 1075567527 /nfs/dbraw/zinc/56/75/27/1075567527.db2.gz ZEFOYEJLBWULKX-UHFFFAOYSA-N 0 2 401.797 3.803 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000596898255 1075594160 /nfs/dbraw/zinc/59/41/60/1075594160.db2.gz ATALBXUGJCTRAV-UHFFFAOYSA-N 0 2 419.553 3.657 20 0 HHADLN COc1ccc(-c2cnc(CCC(=O)N=c3nc(-c4ccsc4)[nH]s3)o2)cc1 ZINC000596904807 1075598210 /nfs/dbraw/zinc/59/82/10/1075598210.db2.gz KPJNAKJPADRVLA-UHFFFAOYSA-N 0 2 412.496 3.923 20 0 HHADLN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3nc(C)c(C(F)(F)F)s3)ccc21 ZINC000669606960 1075642028 /nfs/dbraw/zinc/64/20/28/1075642028.db2.gz HSPMWZHRKGDBFP-UHFFFAOYSA-N 0 2 419.450 3.570 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Oc3ccncc3)c2)c(F)c1 ZINC000601710662 1075644470 /nfs/dbraw/zinc/64/44/70/1075644470.db2.gz KKBPESFQHPBPDO-UHFFFAOYSA-N 0 2 401.419 3.772 20 0 HHADLN CC[C@@H](Cc1ccccc1)C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1 ZINC000602106243 1075703128 /nfs/dbraw/zinc/70/31/28/1075703128.db2.gz VYJUILGBQTZNID-HNNXBMFYSA-N 0 2 416.528 3.546 20 0 HHADLN O=C([O-])C1(NC(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CCCC1 ZINC000780548399 939132734 /nfs/dbraw/zinc/13/27/34/939132734.db2.gz YAVCYGMOWMLWGT-UHFFFAOYSA-N 0 2 418.497 3.795 20 0 HHADLN Brc1ccc2ncnc(NCc3nnc(COc4ccccc4)[nH]3)c2c1 ZINC000302265151 971219827 /nfs/dbraw/zinc/21/98/27/971219827.db2.gz QPLZRHYDHXMFCC-UHFFFAOYSA-N 0 2 411.263 3.702 20 0 HHADLN Cc1ccc(F)c(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c1 ZINC000524277866 1013088094 /nfs/dbraw/zinc/08/80/94/1013088094.db2.gz NYDOKHSWJKROOU-UHFFFAOYSA-N 0 2 414.462 3.594 20 0 HHADLN Cc1nc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)nn1-c1ccccc1C(C)C ZINC000303074939 971489996 /nfs/dbraw/zinc/48/99/96/971489996.db2.gz AHONMSCIFWVAKV-UHFFFAOYSA-N 0 2 422.514 3.682 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)cc1OC ZINC000303357435 971655980 /nfs/dbraw/zinc/65/59/80/971655980.db2.gz IMICYYCXJDILLQ-UHFFFAOYSA-N 0 2 416.421 3.522 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2C)cc1Br ZINC000303562781 971857026 /nfs/dbraw/zinc/85/70/26/971857026.db2.gz IILDHDMCJLZCHS-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)NCC(C)C)cc1C ZINC000542237281 1013195104 /nfs/dbraw/zinc/19/51/04/1013195104.db2.gz PSSVCBBBYBSJDV-UHFFFAOYSA-N 0 2 420.579 3.651 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N(C)[C@H](C)C(C)(C)C)c1 ZINC000537642610 1013201723 /nfs/dbraw/zinc/20/17/23/1013201723.db2.gz LBCKSFBEQVLRHE-CQSZACIVSA-N 0 2 420.531 3.708 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc3c(cc(C)cc3C)s2)cc1NC(C)=O ZINC000006316303 960882787 /nfs/dbraw/zinc/88/27/87/960882787.db2.gz WJFZCGAUCUDPDD-UHFFFAOYSA-N 0 2 405.501 3.681 20 0 HHADLN COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1OC(F)F ZINC000007409149 961166974 /nfs/dbraw/zinc/16/69/74/961166974.db2.gz CVLPGOVAXXKLKX-UHFFFAOYSA-N 0 2 408.220 3.860 20 0 HHADLN CCOc1ccc2nc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)sc2c1 ZINC000007709352 961293673 /nfs/dbraw/zinc/29/36/73/961293673.db2.gz JRUYTBORQGTDKT-UHFFFAOYSA-N 0 2 417.512 3.623 20 0 HHADLN C/N=C1\NC(=O)C(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)S1 ZINC000007883230 961362030 /nfs/dbraw/zinc/36/20/30/961362030.db2.gz MCDXTSVRHFWPBR-MRXNPFEDSA-N 0 2 410.524 3.818 20 0 HHADLN Cc1ccc(CNC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccco2)c3=O)cc1F ZINC000010279357 961783842 /nfs/dbraw/zinc/78/38/42/961783842.db2.gz YUMLQDZGRJOQOC-UHFFFAOYSA-N 0 2 423.469 3.704 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=S)Nc1ccc(OC(F)(F)F)cc1 ZINC000011095121 962006007 /nfs/dbraw/zinc/00/60/07/962006007.db2.gz WOJJXPYDNIIHEB-UHFFFAOYSA-N 0 2 414.434 3.712 20 0 HHADLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000012225464 962255473 /nfs/dbraw/zinc/25/54/73/962255473.db2.gz LSUBZCWWIVDHBO-UHFFFAOYSA-N 0 2 406.851 3.599 20 0 HHADLN O=S(=O)(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(Cl)cc1F ZINC000014097836 962421566 /nfs/dbraw/zinc/42/15/66/962421566.db2.gz QGOBNHBLBDKGCQ-UHFFFAOYSA-N 0 2 405.278 3.770 20 0 HHADLN O=C(NCc1ccccc1)c1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000014254070 962454157 /nfs/dbraw/zinc/45/41/57/962454157.db2.gz ISJHXLDMRMEELF-UHFFFAOYSA-N 0 2 402.422 3.696 20 0 HHADLN Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000014372080 962490157 /nfs/dbraw/zinc/49/01/57/962490157.db2.gz WBNOTYMYDOGMBG-UHFFFAOYSA-N 0 2 414.487 3.828 20 0 HHADLN CNC(=O)c1ccc(S(=O)(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 ZINC000015756096 962856915 /nfs/dbraw/zinc/85/69/15/962856915.db2.gz YGIRTBYDOOSDIJ-UHFFFAOYSA-N 0 2 410.451 3.755 20 0 HHADLN O=C(NNC(=S)Nc1ccc(F)cc1F)c1ccc(COc2ccccc2)o1 ZINC000016240854 962987997 /nfs/dbraw/zinc/98/79/97/962987997.db2.gz JHIMADYSFSOCSX-UHFFFAOYSA-N 0 2 403.410 3.768 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NCCSCc3ccc(C)cc3)cc2[nH]c1=S ZINC000018202360 963287111 /nfs/dbraw/zinc/28/71/11/963287111.db2.gz WVGAUZNRGBDUEM-UHFFFAOYSA-N 0 2 413.568 3.677 20 0 HHADLN O=C(CSc1ccc2c(c1)CCC2)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000022652875 963691179 /nfs/dbraw/zinc/69/11/79/963691179.db2.gz VFJXZAXSEKFQFW-UHFFFAOYSA-N 0 2 422.506 3.901 20 0 HHADLN Cc1cc(C(=O)NCC(C)C)ccc1NS(=O)(=O)c1cccc2c1N=S=N2 ZINC000050534089 964347801 /nfs/dbraw/zinc/34/78/01/964347801.db2.gz FITCDXQINSGBDP-UHFFFAOYSA-N 0 2 404.517 3.908 20 0 HHADLN COc1cc(-c2ccccc2)sc1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000051184143 964487121 /nfs/dbraw/zinc/48/71/21/964487121.db2.gz BDNOPOOBPKPPJH-UHFFFAOYSA-N 0 2 411.508 3.994 20 0 HHADLN CC[C@H](C)NC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccccc1Cl)c2=O ZINC000027338622 964854599 /nfs/dbraw/zinc/85/45/99/964854599.db2.gz CUHCMFNXYSLGMS-LBPRGKRZSA-N 0 2 401.919 3.915 20 0 HHADLN N#Cc1c(C(F)(F)F)cc(=O)[nH]c1SCC(=O)OCc1ccc(Cl)nc1 ZINC000028307968 965072641 /nfs/dbraw/zinc/07/26/41/965072641.db2.gz MQWWSFOIYGEHIC-UHFFFAOYSA-N 0 2 403.769 3.562 20 0 HHADLN COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cn1 ZINC000057118114 965288162 /nfs/dbraw/zinc/28/81/62/965288162.db2.gz UCVLWDJUDYMEPX-UHFFFAOYSA-N 0 2 410.455 3.868 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)Nc3ccn(Cc4ccccc4)n3)cc2[nH]c1=S ZINC000057184828 965332375 /nfs/dbraw/zinc/33/23/75/965332375.db2.gz BFUOGQFZWZTGAP-UHFFFAOYSA-N 0 2 417.494 3.742 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)N[C@H](C)c3ccc(C)s3)cc2[nH]c1=S ZINC000054261334 965448004 /nfs/dbraw/zinc/44/80/04/965448004.db2.gz QQWFGQIAQCTQHO-CYBMUJFWSA-N 0 2 417.556 3.583 20 0 HHADLN O=C(NCCc1ccc(Cl)cc1)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000029657468 965448648 /nfs/dbraw/zinc/44/86/48/965448648.db2.gz YCCVAGILIRDXCE-UHFFFAOYSA-N 0 2 413.861 3.699 20 0 HHADLN CCOCC(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000058145600 965637564 /nfs/dbraw/zinc/63/75/64/965637564.db2.gz OLXBMOUISFXNDI-UHFFFAOYSA-N 0 2 403.287 3.769 20 0 HHADLN O=C(NCc1cccc(C(F)(F)F)c1)NNC(=O)c1cc(-c2ccccc2)on1 ZINC000054918914 965699317 /nfs/dbraw/zinc/69/93/17/965699317.db2.gz OHSYHRARYFDANY-UHFFFAOYSA-N 0 2 404.348 3.505 20 0 HHADLN COc1cc(Cl)c(C)cc1NC(=O)CC1SC(N2CCC(C)CC2)=NC1=O ZINC000055117570 965760767 /nfs/dbraw/zinc/76/07/67/965760767.db2.gz JYJHNYAAOXVFMZ-MRXNPFEDSA-N 0 2 409.939 3.716 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC(OCC4CCCC4)CC3)s[nH]2)c1 ZINC000542687801 1013607315 /nfs/dbraw/zinc/60/73/15/1013607315.db2.gz ZEFDLEOAHJYXLS-UHFFFAOYSA-N 0 2 416.547 3.839 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NNc3ccccc3C(F)(F)F)cc2[nH]c1=S ZINC000055543050 965906874 /nfs/dbraw/zinc/90/68/74/965906874.db2.gz VGKKXFSTZSNUPJ-UHFFFAOYSA-N 0 2 408.405 3.855 20 0 HHADLN CS(=O)(=O)c1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 ZINC000055576334 965932543 /nfs/dbraw/zinc/93/25/43/965932543.db2.gz OJWDDXVYWSLQML-UHFFFAOYSA-N 0 2 414.719 3.851 20 0 HHADLN COCCOc1cc(C)ccc1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000055648793 965993434 /nfs/dbraw/zinc/99/34/34/965993434.db2.gz ODPHKGITBUXBEI-UHFFFAOYSA-N 0 2 405.394 3.720 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccccc2-c2n[nH]c(C(C)C)n2)cc1OC ZINC000059779032 966030108 /nfs/dbraw/zinc/03/01/08/966030108.db2.gz ZJFFZZWNEDIDKY-UHFFFAOYSA-N 0 2 420.466 3.552 20 0 HHADLN C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC000060519325 966186738 /nfs/dbraw/zinc/18/67/38/966186738.db2.gz CCEJLBPMHRWJAU-MRXNPFEDSA-N 0 2 407.539 3.943 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1ccc(OCC2CC2)nc1 ZINC000542725448 1013636973 /nfs/dbraw/zinc/63/69/73/1013636973.db2.gz XJWISLKKIXQANF-UHFFFAOYSA-N 0 2 415.906 3.786 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cc1 ZINC000060733621 966269480 /nfs/dbraw/zinc/26/94/80/966269480.db2.gz XFZBYVSUNMZADH-UHFFFAOYSA-N 0 2 421.569 3.871 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCc1cccc(Cn2cccn2)c1 ZINC000542727572 1013640062 /nfs/dbraw/zinc/64/00/62/1013640062.db2.gz HCGVTBBQTBFEJO-UHFFFAOYSA-N 0 2 424.917 3.847 20 0 HHADLN O=C(NNC(=O)c1ccccc1Br)c1csc(Cc2ccccc2)n1 ZINC000032641947 966301481 /nfs/dbraw/zinc/30/14/81/966301481.db2.gz IVCASDLHPHRWNY-UHFFFAOYSA-N 0 2 416.300 3.571 20 0 HHADLN N#CC(C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1nc2ccccc2s1 ZINC000041498565 966581699 /nfs/dbraw/zinc/58/16/99/966581699.db2.gz PWVGAXOJBKZCDB-QZTJIDSGSA-N 0 2 403.507 3.954 20 0 HHADLN N#C[C@H](C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)c1nc2ccccc2s1 ZINC000041498565 966581706 /nfs/dbraw/zinc/58/17/06/966581706.db2.gz PWVGAXOJBKZCDB-QZTJIDSGSA-N 0 2 403.507 3.954 20 0 HHADLN Cc1ccc(-c2csc([C@H](C#N)C(=O)CCc3c(C)nc4ncnn4c3C)n2)cc1 ZINC000041513261 966583411 /nfs/dbraw/zinc/58/34/11/966583411.db2.gz ACTZFGKOJATRGA-GOSISDBHSA-N 0 2 416.510 3.982 20 0 HHADLN Cc1ccc(-c2csc(C(C#N)C(=O)Cc3nn(C)c(=O)c4ccccc34)n2)cc1 ZINC000041513213 966583481 /nfs/dbraw/zinc/58/34/81/966583481.db2.gz FRSJFJUVKPLEFP-GOSISDBHSA-N 0 2 414.490 3.784 20 0 HHADLN CC[C@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000041541164 966591109 /nfs/dbraw/zinc/59/11/09/966591109.db2.gz IHXHANMNNCDYCX-GOEBONIOSA-N 0 2 406.833 3.962 20 0 HHADLN CCOc1ccc(NC(=S)NNC(=O)c2cnc(-c3ccccc3F)s2)cc1 ZINC000063091865 966752045 /nfs/dbraw/zinc/75/20/45/966752045.db2.gz QXDCWZQDECZVJD-UHFFFAOYSA-N 0 2 416.503 3.979 20 0 HHADLN Cc1ccc(F)c(NC(=S)NNC(=O)c2ccc(COc3ccccc3C#N)o2)c1 ZINC000063344021 966828502 /nfs/dbraw/zinc/82/85/02/966828502.db2.gz FFIMMZDDCKLGML-UHFFFAOYSA-N 0 2 424.457 3.809 20 0 HHADLN CCCN(CC(=O)Nc1ccccc1C)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000542787731 1013682437 /nfs/dbraw/zinc/68/24/37/1013682437.db2.gz PWRGOVUCUKQCAG-UHFFFAOYSA-N 0 2 410.449 3.516 20 0 HHADLN COc1ccc(-c2nc(SCc3cccc4c3OCCO4)[nH]c(=O)c2C#N)cc1 ZINC000063562367 966890079 /nfs/dbraw/zinc/89/00/79/966890079.db2.gz PFEYFXDQEFCVQS-UHFFFAOYSA-N 0 2 407.451 3.793 20 0 HHADLN COC(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2cccc3cc(C)cnc32)c1 ZINC000063635777 966913027 /nfs/dbraw/zinc/91/30/27/966913027.db2.gz OIMMJYJOZOLKJH-UHFFFAOYSA-N 0 2 414.483 3.918 20 0 HHADLN O=C(NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cn2ccccc2n1 ZINC000063688610 966928459 /nfs/dbraw/zinc/92/84/59/966928459.db2.gz NEPYULOYCAWGBM-UHFFFAOYSA-N 0 2 413.812 3.638 20 0 HHADLN O=C(Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1cc2ccccc2s1 ZINC000043274330 966942141 /nfs/dbraw/zinc/94/21/41/966942141.db2.gz UYWIKIJCBHBTTE-UHFFFAOYSA-N 0 2 416.509 3.806 20 0 HHADLN CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000064300649 967129995 /nfs/dbraw/zinc/12/99/95/967129995.db2.gz VLCBHMNNAYRBAJ-UHFFFAOYSA-N 0 2 414.418 3.586 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cccc(C)c2C(=O)OC)c(C(F)(F)F)c1 ZINC000064477278 967204619 /nfs/dbraw/zinc/20/46/19/967204619.db2.gz GHZALUJITPXWHS-UHFFFAOYSA-N 0 2 417.405 4.000 20 0 HHADLN Cc1nn(C)c2ncc(NC(=O)c3[nH]nc(-c4ccccc4)c3Br)cc12 ZINC000065106090 967378336 /nfs/dbraw/zinc/37/83/36/967378336.db2.gz ZBUKILVVFURIPZ-UHFFFAOYSA-N 0 2 411.263 3.682 20 0 HHADLN O=C(Nc1ccccc1Cn1cncn1)c1[nH]nc(-c2ccccc2)c1Br ZINC000065108733 967381361 /nfs/dbraw/zinc/38/13/61/967381361.db2.gz HBFIPQNGJZOEJW-UHFFFAOYSA-N 0 2 423.274 3.731 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)N[C@@H](c3ccccc3)C3CC3)cc2[nH]c1=S ZINC000045901850 967590219 /nfs/dbraw/zinc/59/02/19/967590219.db2.gz NDKDGOJSUKNAKF-FQEVSTJZSA-N 0 2 423.538 3.603 20 0 HHADLN Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCN3C(=O)c4ccccc4C3=O)n2)cc1 ZINC000046443231 967803690 /nfs/dbraw/zinc/80/36/90/967803690.db2.gz NZMYSNAIPLJDMQ-SFHVURJKSA-N 0 2 415.474 3.981 20 0 HHADLN CCc1nc2cc(S(=O)(=O)Nc3nc(CN4CCCCC4)cs3)ccc2o1 ZINC000542942642 1013775554 /nfs/dbraw/zinc/77/55/54/1013775554.db2.gz DVFGJZJMZPFXRR-UHFFFAOYSA-N 0 2 406.533 3.633 20 0 HHADLN C[C@H]1CCCN(Cc2csc(NS(=O)(=O)c3ccc(C(F)(F)F)nc3)n2)C1 ZINC000542943205 1013776088 /nfs/dbraw/zinc/77/60/88/1013776088.db2.gz MDMOSEANPONZHQ-NSHDSACASA-N 0 2 420.482 3.590 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)ccc1Br ZINC000047328614 968140971 /nfs/dbraw/zinc/14/09/71/968140971.db2.gz ZHUNAGIIUBIRIX-UHFFFAOYSA-N 0 2 413.268 3.582 20 0 HHADLN COc1ccc2c(C)c(CC/C(O)=N/S(=O)(=O)c3ccc(C)cc3)c(=O)oc2c1 ZINC000048422080 968548094 /nfs/dbraw/zinc/54/80/94/968548094.db2.gz VIGBCPGJZRFIKL-UHFFFAOYSA-N 0 2 415.467 3.696 20 0 HHADLN CC(C)OCCOCc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000065832868 968670765 /nfs/dbraw/zinc/67/07/65/968670765.db2.gz KFTYHBZCQQNAIA-UHFFFAOYSA-N 0 2 403.422 3.846 20 0 HHADLN CC[C@H](NC(=O)c1c(O)cc(F)cc1F)c1ccccc1OCC(=O)N1CCCC1 ZINC000066047649 968781612 /nfs/dbraw/zinc/78/16/12/968781612.db2.gz DLJOZKBCECDWBM-KRWDZBQOSA-N 0 2 418.440 3.553 20 0 HHADLN COC(=O)c1csc(S(=O)(=O)Nc2ccc(-n3ncc4ccccc43)cc2)c1 ZINC000538296657 1013831329 /nfs/dbraw/zinc/83/13/29/1013831329.db2.gz QJOZDMWJZFVVCC-UHFFFAOYSA-N 0 2 413.480 3.674 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)c1 ZINC000538299714 1013835181 /nfs/dbraw/zinc/83/51/81/1013835181.db2.gz OXJCIDJLCRUXHT-UHFFFAOYSA-N 0 2 416.455 3.706 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3)ccc2F)cc1 ZINC000098066367 969188201 /nfs/dbraw/zinc/18/82/01/969188201.db2.gz AIXFXYUICGDZSP-UHFFFAOYSA-N 0 2 414.458 3.565 20 0 HHADLN O=S(=O)(Nc1ccc(OCC(F)(F)F)nc1)c1ccc(Cl)nc1Cl ZINC000110208815 969637487 /nfs/dbraw/zinc/63/74/87/969637487.db2.gz VNEMBBZDRJMDLA-UHFFFAOYSA-N 0 2 402.181 3.525 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]3c3cccc(N(C)C)c3)cc2[nH]c1=S ZINC000217230838 970084118 /nfs/dbraw/zinc/08/41/18/970084118.db2.gz UQGWOPSLLPSHEW-FQEVSTJZSA-N 0 2 422.554 3.748 20 0 HHADLN NC(=O)c1ccc(NCc2cc(Br)c(O)c(Br)c2)cc1 ZINC000236190268 970141099 /nfs/dbraw/zinc/14/10/99/970141099.db2.gz SZNOWEFCROTKCC-UHFFFAOYSA-N 0 2 400.070 3.628 20 0 HHADLN CC[NH+](CC)Cc1nc(C2(NCc3cc(Cl)cc([N+](=O)[O-])c3[O-])CCCC2)no1 ZINC000236943295 970192147 /nfs/dbraw/zinc/19/21/47/970192147.db2.gz KUNXIRMUWMTHAL-UHFFFAOYSA-N 0 2 423.901 3.738 20 0 HHADLN CC(C)(C)c1ncc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cn1 ZINC000554560642 1013978030 /nfs/dbraw/zinc/97/80/30/1013978030.db2.gz XEQLRPBVLRYLNT-UHFFFAOYSA-N 0 2 419.258 3.713 20 0 HHADLN CC(C)(NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1 ZINC000148169331 970351472 /nfs/dbraw/zinc/35/14/72/970351472.db2.gz QQHLZWIFPDLAAD-UHFFFAOYSA-N 0 2 401.513 3.609 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)Nc2cccnc2)cc1Br ZINC000161638102 970444345 /nfs/dbraw/zinc/44/43/45/970444345.db2.gz NVBOYFCUXXEVDB-UHFFFAOYSA-N 0 2 406.099 3.716 20 0 HHADLN O=S(=O)(Nc1c(-c2ccncc2)nc2ccccn21)c1cccnc1C(F)(F)F ZINC000554726907 1014032765 /nfs/dbraw/zinc/03/27/65/1014032765.db2.gz HDFGNQPDTPSBTO-UHFFFAOYSA-N 0 2 419.388 3.611 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cccc(Br)c2F)c2cccnc12 ZINC000554727702 1014032808 /nfs/dbraw/zinc/03/28/08/1014032808.db2.gz YZWHOIJKFFDYDD-UHFFFAOYSA-N 0 2 411.252 3.946 20 0 HHADLN CCN(CC)c1ccc(NS(=O)(=O)c2cc(Br)cnc2Cl)cn1 ZINC000320789257 972683821 /nfs/dbraw/zinc/68/38/21/972683821.db2.gz KOGNJVWMXLOKLU-UHFFFAOYSA-N 0 2 419.732 3.540 20 0 HHADLN Cc1nnc([C@@H](C)NCc2cc(Br)c(O)c(Br)c2)s1 ZINC000391844058 972844610 /nfs/dbraw/zinc/84/46/10/972844610.db2.gz NQAUVLMLVFBGSY-ZCFIWIBFSA-N 0 2 407.131 3.928 20 0 HHADLN O=S(=O)(Nc1cccc(-c2nnco2)c1)c1c(Cl)cccc1Br ZINC000391898556 972845608 /nfs/dbraw/zinc/84/56/08/972845608.db2.gz IBXHZBQJKJCOHE-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN CC(C)NC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000392345910 972851406 /nfs/dbraw/zinc/85/14/06/972851406.db2.gz NBFWPHWPLJCQPV-UHFFFAOYSA-N 0 2 415.284 3.527 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc(F)c(Br)cc1C ZINC000392540826 972853920 /nfs/dbraw/zinc/85/39/20/972853920.db2.gz TXYTWGADGBORTH-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c1C ZINC000409544125 973000264 /nfs/dbraw/zinc/00/02/64/973000264.db2.gz PWRNJJJMJXCLBW-UHFFFAOYSA-N 0 2 420.242 3.773 20 0 HHADLN O=C(COCc1ccccc1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000409544088 973000724 /nfs/dbraw/zinc/00/07/24/973000724.db2.gz JMCLOMZKYFMSJV-UHFFFAOYSA-N 0 2 405.227 3.529 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccc(Cl)cc1)c1cnn(-c2ccccc2)c1 ZINC000409598201 973045543 /nfs/dbraw/zinc/04/55/43/973045543.db2.gz XOFVCAXFCLFRSY-UHFFFAOYSA-N 0 2 413.890 3.571 20 0 HHADLN O=S(=O)(Nc1ccnn1C[C@H]1CCOC1)c1c(Cl)cc(Cl)cc1Cl ZINC000409618198 973065302 /nfs/dbraw/zinc/06/53/02/973065302.db2.gz WPNRKTYRRZTMEH-SECBINFHSA-N 0 2 410.710 3.681 20 0 HHADLN O=S(=O)(Nc1nc2cc(F)c(F)cc2s1)c1cnn(Cc2ccccc2)c1 ZINC000409635651 973083006 /nfs/dbraw/zinc/08/30/06/973083006.db2.gz DGDFCJRHPDRTBB-UHFFFAOYSA-N 0 2 406.439 3.620 20 0 HHADLN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2O)cc1 ZINC000409898239 973361517 /nfs/dbraw/zinc/36/15/17/973361517.db2.gz XNWYFWBXUZJHOQ-MRXNPFEDSA-N 0 2 409.269 3.951 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCC(N2CCc3ccccc32)CC1 ZINC000410040258 973520743 /nfs/dbraw/zinc/52/07/43/973520743.db2.gz XUOARJUWBSMWAK-UHFFFAOYSA-N 0 2 405.527 3.686 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3ccnn3Cc3ccccn3)c2)n1 ZINC000410340751 973925805 /nfs/dbraw/zinc/92/58/05/973925805.db2.gz QEYZTSMNFOOMCA-UHFFFAOYSA-N 0 2 411.512 3.559 20 0 HHADLN CCCOc1ccc(S(=O)(=O)Nc2cc3ccc(Br)cn3n2)cc1 ZINC000410343946 973930309 /nfs/dbraw/zinc/93/03/09/973930309.db2.gz UFPAPJDNNWTTGT-UHFFFAOYSA-N 0 2 410.293 3.686 20 0 HHADLN CC(C)(C)c1ncc(NS(=O)(=O)c2ccc(Cl)cc2Br)cn1 ZINC000410369740 973965068 /nfs/dbraw/zinc/96/50/68/973965068.db2.gz BJRIQPCSIUVJHX-UHFFFAOYSA-N 0 2 404.717 3.991 20 0 HHADLN Cc1ccc(-n2cccn2)cc1NS(=O)(=O)c1cccc(Br)c1F ZINC000410398239 973997072 /nfs/dbraw/zinc/99/70/72/973997072.db2.gz JGAHCQLDGZXJGL-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN CCn1ncc(NS(=O)(=O)c2cc3c(c(Cl)c2)O[C@@H](C)C3)c1C(F)(F)F ZINC000410406911 974006783 /nfs/dbraw/zinc/00/67/83/974006783.db2.gz NEFQZCUBAJRCHY-QMMMGPOBSA-N 0 2 409.817 3.699 20 0 HHADLN CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000425943636 974051808 /nfs/dbraw/zinc/05/18/08/974051808.db2.gz SANXLIYFEBSJKJ-UHFFFAOYSA-N 0 2 417.314 3.895 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)s[nH]1 ZINC000426463948 974465877 /nfs/dbraw/zinc/46/58/77/974465877.db2.gz VPPIQNSYKWNCOV-UHFFFAOYSA-N 0 2 422.580 3.514 20 0 HHADLN COCCc1nsc(NC[C@@H](c2c[nH]c3ccccc32)c2ccc(OC)cc2)n1 ZINC000426573266 974537634 /nfs/dbraw/zinc/53/76/34/974537634.db2.gz KUSPVGPKFRDWDI-GOSISDBHSA-N 0 2 408.527 3.883 20 0 HHADLN C[C@@H]1CCc2nc(C[NH2+][C@@H](CSCCOc3ccccc3)C(=O)[O-])sc2C1 ZINC000426725895 974618047 /nfs/dbraw/zinc/61/80/47/974618047.db2.gz FXMKPJQVMIXLAZ-PBHICJAKSA-N 0 2 406.573 3.623 20 0 HHADLN COc1cc(Br)c(C[NH2+][C@H](C(=O)[O-])c2c(F)cccc2F)cc1OC ZINC000426760296 974639574 /nfs/dbraw/zinc/63/95/74/974639574.db2.gz ZLYBSPLSBSFUSG-INIZCTEOSA-N 0 2 416.218 3.660 20 0 HHADLN Cc1ccc([C@H](CC(=O)[O-])[NH2+]Cc2ncc(Br)cc2Br)o1 ZINC000426778031 974653331 /nfs/dbraw/zinc/65/33/31/974653331.db2.gz SYWGEWNOXAOCAE-NSHDSACASA-N 0 2 418.085 3.814 20 0 HHADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000426888187 974732965 /nfs/dbraw/zinc/73/29/65/974732965.db2.gz FCZFUXMUNVEWKQ-KRWDZBQOSA-N 0 2 401.850 3.646 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NC[C@@H](Cc3ccccc3)C(F)(F)F)=N2)cc1 ZINC000427090720 974894129 /nfs/dbraw/zinc/89/41/29/974894129.db2.gz ZTGLZDDRJNYTBB-OAHLLOKOSA-N 0 2 419.403 3.738 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2SCC(F)F)cnn1C ZINC000427264437 975012875 /nfs/dbraw/zinc/01/28/75/975012875.db2.gz FHHLGOQHOULEJA-UHFFFAOYSA-N 0 2 415.409 3.905 20 0 HHADLN Cc1nn(C)c2cc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3F)ccc12 ZINC000427293332 975030975 /nfs/dbraw/zinc/03/09/75/975030975.db2.gz AHSMJBXEZZYRIP-UHFFFAOYSA-N 0 2 403.357 3.720 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)cnn1C ZINC000427325033 975053985 /nfs/dbraw/zinc/05/39/85/975053985.db2.gz RXDOYMDGIIBAHP-UHFFFAOYSA-N 0 2 418.224 3.777 20 0 HHADLN COCc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc(C(=O)OC)c1 ZINC000427345620 975068193 /nfs/dbraw/zinc/06/81/93/975068193.db2.gz PIVXLPDZGVHABA-UHFFFAOYSA-N 0 2 410.300 3.789 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(-c2ccncc2)c(C)c1 ZINC000427641837 975221301 /nfs/dbraw/zinc/22/13/01/975221301.db2.gz KSNYSFYTTQHZDD-UHFFFAOYSA-N 0 2 400.431 3.784 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccnn2[C@@H](C)c2cc(Cl)ccc2Cl)cnn1C ZINC000427772336 975280262 /nfs/dbraw/zinc/28/02/62/975280262.db2.gz UTQSUMQPECUKCU-JTQLQIEISA-N 0 2 414.318 3.642 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1nc(C(C)(C)C)co1 ZINC000427776300 975282607 /nfs/dbraw/zinc/28/26/07/975282607.db2.gz DTSYZFWEIPYULQ-UHFFFAOYSA-N 0 2 402.900 3.842 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3F)o2)c(C)o1 ZINC000427777560 975283276 /nfs/dbraw/zinc/28/32/76/975283276.db2.gz YSPSUVZMJJBXCM-UHFFFAOYSA-N 0 2 421.328 3.785 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ncc(-c3cccnc3)s2)c1 ZINC000427781717 975285062 /nfs/dbraw/zinc/28/50/62/975285062.db2.gz LQMBOBJRCWQFSQ-UHFFFAOYSA-N 0 2 423.903 3.836 20 0 HHADLN Cc1ccc(-c2nsc(NS(=O)(=O)c3ccc4nc(C)sc4c3)n2)s1 ZINC000427784846 975286764 /nfs/dbraw/zinc/28/67/64/975286764.db2.gz VFGQLAOLEDYZRE-UHFFFAOYSA-N 0 2 408.555 3.716 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NCc3nc(-c4ccccc4F)cs3)=N2)cc1 ZINC000428549935 975859039 /nfs/dbraw/zinc/85/90/39/975859039.db2.gz QBMPTMADCDIAPQ-UHFFFAOYSA-N 0 2 424.457 3.779 20 0 HHADLN C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1nc(C(F)(F)F)cs1 ZINC000428623931 975928752 /nfs/dbraw/zinc/92/87/52/975928752.db2.gz MLVKATSACAAPNY-QMMMGPOBSA-N 0 2 400.357 3.683 20 0 HHADLN CCOc1nc(C(F)(F)F)ccc1C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000428727293 976013449 /nfs/dbraw/zinc/01/34/49/976013449.db2.gz HSHDXLYSXJTEIQ-UHFFFAOYSA-N 0 2 424.404 3.700 20 0 HHADLN COCc1cccc(CC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c1 ZINC000429095136 976380400 /nfs/dbraw/zinc/38/04/00/976380400.db2.gz GQLDDCGDINUXAG-UHFFFAOYSA-N 0 2 419.254 3.701 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3c[nH]nc3-c3ccc(Cl)s3)s[nH]2)c1 ZINC000429111456 976393361 /nfs/dbraw/zinc/39/33/61/976393361.db2.gz FAVDFBLTUBKLAA-UHFFFAOYSA-N 0 2 417.903 3.993 20 0 HHADLN Cc1cc(Br)c2c(c1)CN(C(=O)N=c1nc(C(C)(C)C)[nH]s1)CC2 ZINC000429445181 976723068 /nfs/dbraw/zinc/72/30/68/976723068.db2.gz HUTSHRSYEJONAA-UHFFFAOYSA-N 0 2 409.353 3.919 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1cnc(C(F)(F)F)nc1 ZINC000429468734 976737196 /nfs/dbraw/zinc/73/71/96/976737196.db2.gz LDHVUVDAFLYXFE-UHFFFAOYSA-N 0 2 403.151 3.840 20 0 HHADLN Cc1ccc(C)c(CN(C)C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000430184950 977377818 /nfs/dbraw/zinc/37/78/18/977377818.db2.gz FXDHBRJBDWDVSH-UHFFFAOYSA-N 0 2 415.540 3.833 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)c(CN2CCOCC2)c1)c1cccc(Cl)c1F ZINC000430380093 977514028 /nfs/dbraw/zinc/51/40/28/977514028.db2.gz XFPKRIDIMJOYLI-UHFFFAOYSA-N 0 2 419.305 3.766 20 0 HHADLN CCOC(=O)[C@@H]1CCCN(C(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)C1 ZINC000430405086 977526998 /nfs/dbraw/zinc/52/69/98/977526998.db2.gz RJCIMPXHSXZUMY-MRXNPFEDSA-N 0 2 420.465 3.736 20 0 HHADLN CC[C@H](C)[C@@H](NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)C(=O)OC ZINC000430445452 977556183 /nfs/dbraw/zinc/55/61/83/977556183.db2.gz ZKYQKYLUGKNSLZ-VBKZILBWSA-N 0 2 408.454 3.638 20 0 HHADLN CC[C@@H](NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)[C@H](O)C(F)(F)F ZINC000430588074 977646539 /nfs/dbraw/zinc/64/65/39/977646539.db2.gz BUQRUPAPWTVTTJ-APWZRJJASA-N 0 2 420.387 3.752 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2sc(C)cc2C)cc(Br)c1F ZINC000431160323 978061247 /nfs/dbraw/zinc/06/12/47/978061247.db2.gz UQCUWTFMJUDPHN-UHFFFAOYSA-N 0 2 422.297 3.854 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)cc(OC)c1C ZINC000431163262 978064377 /nfs/dbraw/zinc/06/43/77/978064377.db2.gz WYYNFELCNSNDLY-UHFFFAOYSA-N 0 2 416.858 3.564 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccc2Cl)s1)c1cnn(-c2ccccc2)c1 ZINC000431306892 978192250 /nfs/dbraw/zinc/19/22/50/978192250.db2.gz DUWIHMDWUGGZBC-UHFFFAOYSA-N 0 2 417.903 3.845 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC000431327596 978213354 /nfs/dbraw/zinc/21/33/54/978213354.db2.gz IBAQUZQALJAGRH-UHFFFAOYSA-N 0 2 421.475 3.548 20 0 HHADLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)c1 ZINC000431329345 978215328 /nfs/dbraw/zinc/21/53/28/978215328.db2.gz QXEXIXVCRYUEJZ-UHFFFAOYSA-N 0 2 417.512 3.718 20 0 HHADLN CCSc1nnc(NS(=O)(=O)c2c(C)cc(Br)cc2C)s1 ZINC000431343204 978223965 /nfs/dbraw/zinc/22/39/65/978223965.db2.gz ZIDNMBUNSVNAFB-UHFFFAOYSA-N 0 2 408.368 3.830 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC(C)(C)c2ncc(C)s2)c(F)c1Cl ZINC000431891866 978582257 /nfs/dbraw/zinc/58/22/57/978582257.db2.gz ZZZIUEHZUZOGMX-UHFFFAOYSA-N 0 2 423.894 3.555 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cnn1-c1ccc(C)cc1 ZINC000431897672 978585625 /nfs/dbraw/zinc/58/56/25/978585625.db2.gz DYKOIDPLAOPMCZ-UHFFFAOYSA-N 0 2 412.471 3.781 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)cnn1-c1ccc(C)cc1 ZINC000431908126 978592014 /nfs/dbraw/zinc/59/20/14/978592014.db2.gz YBBVCYZEOWSTQE-UHFFFAOYSA-N 0 2 424.530 3.524 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cc(OC)cc(OC)c2)cnn1-c1ccccc1C ZINC000432051809 978661716 /nfs/dbraw/zinc/66/17/16/978661716.db2.gz HEMGWJHZSIKLLN-UHFFFAOYSA-N 0 2 415.515 3.951 20 0 HHADLN CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3cnn(Cc4ccccc4)c3)c2)n1 ZINC000432190882 978706962 /nfs/dbraw/zinc/70/69/62/978706962.db2.gz GLQZYNKVEPKHIQ-UHFFFAOYSA-N 0 2 423.498 3.653 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccc(F)cc2)s1)c1cnn(-c2ccccc2)c1 ZINC000432355150 978774397 /nfs/dbraw/zinc/77/43/97/978774397.db2.gz COYLZQFSQCGKNI-UHFFFAOYSA-N 0 2 400.460 3.936 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccc(F)cc2)s1)c1cncc(Br)c1 ZINC000432366076 978780227 /nfs/dbraw/zinc/78/02/27/978780227.db2.gz BCHMPAQRHYBZIU-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)cc(C2CC2)n1 ZINC000432366158 978780245 /nfs/dbraw/zinc/78/02/45/978780245.db2.gz CFTKDHWWWDALCY-UHFFFAOYSA-N 0 2 402.701 3.879 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCc3c(F)cc(F)c(F)c3F)s[nH]2)c1 ZINC000432429807 978809114 /nfs/dbraw/zinc/80/91/14/978809114.db2.gz HVMFXBGLWJPETR-UHFFFAOYSA-N 0 2 412.368 3.514 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)cc1F ZINC000432529960 978867524 /nfs/dbraw/zinc/86/75/24/978867524.db2.gz DZKWCNNXZPMKLX-OAHLLOKOSA-N 0 2 419.503 3.955 20 0 HHADLN O=C(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1cc(-c2ccccn2)no1 ZINC000432573855 978895493 /nfs/dbraw/zinc/89/54/93/978895493.db2.gz NLOXRLUHMSNQHU-HNNXBMFYSA-N 0 2 403.467 4.309 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cccc(-c4nccs4)c3)cnc2c1Cl ZINC000432749538 978958360 /nfs/dbraw/zinc/95/83/60/978958360.db2.gz IAPRKTBOMSJQIN-UHFFFAOYSA-N 0 2 405.892 3.615 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2noc(Cc3ccccc3)n2)c2ccccc12 ZINC000432955632 979023046 /nfs/dbraw/zinc/02/30/46/979023046.db2.gz OHICEWWRGQSAGH-UHFFFAOYSA-N 0 2 422.466 3.573 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2noc(Cc3ccccc3)n2)cc1C(C)C ZINC000432964339 979026810 /nfs/dbraw/zinc/02/68/10/979026810.db2.gz GFESMMCDIQOUBI-UHFFFAOYSA-N 0 2 401.488 3.902 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2noc(COc3ccc(C)cc3)n2)cc1Cl ZINC000432968556 979028335 /nfs/dbraw/zinc/02/83/35/979028335.db2.gz AAUXICIHJNFKBL-UHFFFAOYSA-N 0 2 423.878 3.728 20 0 HHADLN Cc1cc(C)nc(-n2nccc2NS(=O)(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000433400860 979277225 /nfs/dbraw/zinc/27/72/25/979277225.db2.gz PTGUEPVCJKPZNR-UHFFFAOYSA-N 0 2 405.483 3.747 20 0 HHADLN O=S(=O)(Nc1ccc(-n2cccn2)nc1)c1cc(Br)sc1Cl ZINC000433616386 979428299 /nfs/dbraw/zinc/42/82/99/979428299.db2.gz KOSZQWJLEPKKKT-UHFFFAOYSA-N 0 2 419.713 3.546 20 0 HHADLN C[C@@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000434360333 980114219 /nfs/dbraw/zinc/11/42/19/980114219.db2.gz AJWJYVXODWUZMX-MRVPVSSYSA-N 0 2 405.241 3.502 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N(C)Cc3ccc(Br)cc3C)c[nH]c2n1 ZINC000434501932 980214258 /nfs/dbraw/zinc/21/42/58/980214258.db2.gz IHNRZLVLMRFVCE-UHFFFAOYSA-N 0 2 400.276 3.987 20 0 HHADLN COc1ccc(Cl)cc1-c1cc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)n[nH]1 ZINC000434976178 980543923 /nfs/dbraw/zinc/54/39/23/980543923.db2.gz APXVGGJZUFIYBK-NSHDSACASA-N 0 2 419.890 3.863 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cc(-c3cc(Cl)ccc3OC)[nH]n2)cc1 ZINC000434977437 980544640 /nfs/dbraw/zinc/54/46/40/980544640.db2.gz QJDMQLAXHIFSAI-UHFFFAOYSA-N 0 2 407.879 3.938 20 0 HHADLN COCCCOc1ccccc1NS(=O)(=O)c1cc(F)ccc1Br ZINC000435127828 980659037 /nfs/dbraw/zinc/65/90/37/980659037.db2.gz ALXXAQNESWXMLX-UHFFFAOYSA-N 0 2 418.284 3.804 20 0 HHADLN CCOc1ccc(OC)cc1NS(=O)(=O)c1cccc(C)c1Br ZINC000435132433 980663261 /nfs/dbraw/zinc/66/32/61/980663261.db2.gz XMSBQWQOTQUBRE-UHFFFAOYSA-N 0 2 400.294 3.966 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)CCc3ccc(Cl)c(OC)c3)s[nH]2)c1 ZINC000435365320 980813998 /nfs/dbraw/zinc/81/39/98/980813998.db2.gz VNFQPXOFLZSJBE-UHFFFAOYSA-N 0 2 403.891 3.869 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)[C@H]1CCCCO1 ZINC000435800633 981036633 /nfs/dbraw/zinc/03/66/33/981036633.db2.gz QDBYNDVRAALIPF-MRXNPFEDSA-N 0 2 412.870 3.788 20 0 HHADLN Cc1ccnc(-c2ccc(NS(=O)(=O)c3cnc(-c4ccccc4)nc3)cc2)n1 ZINC000436000259 981143475 /nfs/dbraw/zinc/14/34/75/981143475.db2.gz BXDSKZFYZJDJEG-UHFFFAOYSA-N 0 2 403.467 3.710 20 0 HHADLN Cc1cc(C(=O)NCC(C)C)ccc1NS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000436013293 981155277 /nfs/dbraw/zinc/15/52/77/981155277.db2.gz BBHSINLQVCTHGM-UHFFFAOYSA-N 0 2 424.526 3.639 20 0 HHADLN COC(=O)CCc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1 ZINC000436013314 981155318 /nfs/dbraw/zinc/15/53/18/981155318.db2.gz BCXIBODMEVNRRG-UHFFFAOYSA-N 0 2 405.369 3.751 20 0 HHADLN O=S(=O)(Nc1ccccc1NCC(F)(F)F)c1cnc(-c2ccccc2)nc1 ZINC000436021138 981160819 /nfs/dbraw/zinc/16/08/19/981160819.db2.gz MSONWBHBSYVSRL-UHFFFAOYSA-N 0 2 408.405 3.919 20 0 HHADLN O=S(=O)(Nc1cccc(OCc2ccccn2)c1)c1cnc(-c2ccccc2)nc1 ZINC000436028456 981166801 /nfs/dbraw/zinc/16/68/01/981166801.db2.gz VGUVHUZEWWJXNQ-UHFFFAOYSA-N 0 2 418.478 3.918 20 0 HHADLN CC(=O)N1CCN(c2cccc(NS(=O)(=O)c3ccc(C(C)(C)C)s3)c2)CC1 ZINC000436165816 981230337 /nfs/dbraw/zinc/23/03/37/981230337.db2.gz AEPQPVZQCXUPJI-UHFFFAOYSA-N 0 2 421.588 3.515 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000436190622 981242527 /nfs/dbraw/zinc/24/25/27/981242527.db2.gz NTFQZQPCHJMEQO-SECBINFHSA-N 0 2 401.893 3.621 20 0 HHADLN O=C(NCc1ccc(I)c(Cl)c1)c1cc(F)c(O)c(F)c1 ZINC000436509742 981409163 /nfs/dbraw/zinc/40/91/63/981409163.db2.gz FYVFMDCWAWDLJT-UHFFFAOYSA-N 0 2 423.584 3.858 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000436528588 981420828 /nfs/dbraw/zinc/42/08/28/981420828.db2.gz XRJQNIVFOTUBMF-HNNXBMFYSA-N 0 2 401.768 4.000 20 0 HHADLN COC(=O)Cc1sc(NC(=O)c2cc(F)c(O)c(F)c2)nc1-c1ccccc1 ZINC000436528648 981420982 /nfs/dbraw/zinc/42/09/82/981420982.db2.gz IFEIWSUXZDHOQE-UHFFFAOYSA-N 0 2 404.394 3.762 20 0 HHADLN CC(C)OCCOC[C@H](O)CN(C)C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436573510 981453465 /nfs/dbraw/zinc/45/34/65/981453465.db2.gz IFHDQPAFIGRRRL-GOSISDBHSA-N 0 2 421.921 3.587 20 0 HHADLN CS(=O)(=O)C1CCC(NC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CC1 ZINC000436587829 981462031 /nfs/dbraw/zinc/46/20/31/981462031.db2.gz GAYBVDLLCLPYIT-UHFFFAOYSA-N 0 2 407.919 3.798 20 0 HHADLN O=C(Nc1ccn(-c2ncccc2C(F)(F)F)n1)c1c(O)cc(Cl)cc1Cl ZINC000436597728 981466375 /nfs/dbraw/zinc/46/63/75/981466375.db2.gz WPNXAIMSRXOLNZ-UHFFFAOYSA-N 0 2 417.174 4.551 20 0 HHADLN Cc1ccc(NC(=O)N2CCN(C(=O)c3cc(F)c(O)c(F)c3)CC2)cc1Cl ZINC000436633420 981484404 /nfs/dbraw/zinc/48/44/04/981484404.db2.gz AZESFEFMYQJWKW-UHFFFAOYSA-N 0 2 409.820 3.622 20 0 HHADLN CS(=O)(=O)CC1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CC1 ZINC000436684448 981510912 /nfs/dbraw/zinc/51/09/12/981510912.db2.gz APPKKWNLFRSGRV-UHFFFAOYSA-N 0 2 407.919 3.609 20 0 HHADLN CS(=O)(=O)C[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)C1 ZINC000436702728 981521463 /nfs/dbraw/zinc/52/14/63/981521463.db2.gz JFSOYCGIWAYNRX-AWEZNQCLSA-N 0 2 407.919 3.609 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000436709898 981524302 /nfs/dbraw/zinc/52/43/02/981524302.db2.gz XIZVGOFFDPBSST-SECBINFHSA-N 0 2 412.671 3.698 20 0 HHADLN COc1ccccc1O[C@@H]1CCCN(C(=O)c2cc(F)cc(Br)c2O)C1 ZINC000436730071 981535309 /nfs/dbraw/zinc/53/53/09/981535309.db2.gz VBDCSHSSIZAOHU-CYBMUJFWSA-N 0 2 424.266 3.986 20 0 HHADLN CCN(CC(=O)N1CCCCCC1)C(=O)c1cc(Cl)cc(Br)c1O ZINC000436743060 981541603 /nfs/dbraw/zinc/54/16/03/981541603.db2.gz ZDAASPWRJGIMPE-UHFFFAOYSA-N 0 2 417.731 3.673 20 0 HHADLN O=C(Nc1cccc(NS(=O)(=O)Cc2ccccc2)c1)c1cc(F)c(O)c(F)c1 ZINC000436751721 981545240 /nfs/dbraw/zinc/54/52/40/981545240.db2.gz NKQRDQVOCRNVDS-UHFFFAOYSA-N 0 2 418.421 3.865 20 0 HHADLN O=C(CCc1ccccc1)N1CCC(NC(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000436769354 981553923 /nfs/dbraw/zinc/55/39/23/981553923.db2.gz INVAOGHIWYTPCA-UHFFFAOYSA-N 0 2 404.869 3.538 20 0 HHADLN O=C(C1CCN(C(=O)c2cc(F)cc(Cl)c2O)CC1)N1CCc2ccccc21 ZINC000436775758 981556546 /nfs/dbraw/zinc/55/65/46/981556546.db2.gz REDPWGSWWQXHEB-UHFFFAOYSA-N 0 2 402.853 3.626 20 0 HHADLN O=C(N[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1)c1cc2ccccc2o1 ZINC000436792764 981564323 /nfs/dbraw/zinc/56/43/23/981564323.db2.gz XNJKWOUTROPDOU-CQSZACIVSA-N 0 2 416.836 3.966 20 0 HHADLN CC[C@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)C[C@@H](C)S1(=O)=O ZINC000436794953 981565610 /nfs/dbraw/zinc/56/56/10/981565610.db2.gz DFMKWTPJJRCICC-CJNGLKHVSA-N 0 2 407.919 3.750 20 0 HHADLN CCn1cc(Br)c(=O)c(NC(=O)c2c(O)cc(Cl)cc2Cl)c1 ZINC000436859780 981595384 /nfs/dbraw/zinc/59/53/84/981595384.db2.gz DFJNXSGDEAMMNW-UHFFFAOYSA-N 0 2 406.063 3.895 20 0 HHADLN C[C@H](NC(=O)c1cc(F)cc(Br)c1O)c1noc(-c2ccccc2)n1 ZINC000436862026 981596125 /nfs/dbraw/zinc/59/61/25/981596125.db2.gz GJPSNTMVZJXBHE-VIFPVBQESA-N 0 2 406.211 3.835 20 0 HHADLN C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2O)C[C@H](c2ccsc2)O1 ZINC000436864551 981596615 /nfs/dbraw/zinc/59/66/15/981596615.db2.gz NXYOQZHGJPRZBT-YMTOWFKASA-N 0 2 400.269 3.958 20 0 HHADLN CC(=O)c1ccc(O)c(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 ZINC000436871506 981598199 /nfs/dbraw/zinc/59/81/99/981598199.db2.gz NQDZYPOGSRNRQZ-UHFFFAOYSA-N 0 2 424.478 3.956 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000436886634 981601888 /nfs/dbraw/zinc/60/18/88/981601888.db2.gz HMQXYTKOHZZMMD-ZUZCIYMTSA-N 0 2 416.193 3.520 20 0 HHADLN CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1cc(F)cc(Br)c1O ZINC000436893207 981603985 /nfs/dbraw/zinc/60/39/85/981603985.db2.gz ONDYZCHWGLBPMW-UHFFFAOYSA-N 0 2 403.154 3.783 20 0 HHADLN Cc1nc(CN(C)[C@@H]2CCCN(C(=O)c3c(O)cc(Cl)cc3Cl)CC2)no1 ZINC000436918563 981623638 /nfs/dbraw/zinc/62/36/38/981623638.db2.gz HKMLECRPJXRUPI-CYBMUJFWSA-N 0 2 413.305 3.517 20 0 HHADLN CCC(CC)c1noc(-c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)n1 ZINC000436932009 981630988 /nfs/dbraw/zinc/63/09/88/981630988.db2.gz MCGQDQXMDAAXMA-UHFFFAOYSA-N 0 2 401.488 3.824 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(O)c(-c2nc([C@H]3CCCO3)no2)c1 ZINC000436932997 981631616 /nfs/dbraw/zinc/63/16/16/981631616.db2.gz AMCJYQRKKUGSQO-MRXNPFEDSA-N 0 2 421.862 3.748 20 0 HHADLN COC(=O)[C@](C)(NC(=O)c1cc(F)c(O)c(F)c1)c1ccc(Cl)c(Cl)c1 ZINC000436950313 981640763 /nfs/dbraw/zinc/64/07/63/981640763.db2.gz BWCJWPXQXYSPGN-QGZVFWFLSA-N 0 2 404.196 3.795 20 0 HHADLN CC(C)c1ncc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)s1 ZINC000448238629 981646547 /nfs/dbraw/zinc/64/65/47/981646547.db2.gz JNVNEMOUUDGYMQ-UHFFFAOYSA-N 0 2 408.530 3.776 20 0 HHADLN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000436967898 981654590 /nfs/dbraw/zinc/65/45/90/981654590.db2.gz RGHWKPSGFORNHZ-JDNHERCYSA-N 0 2 400.219 3.939 20 0 HHADLN O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cc(F)c(O)c(F)c1 ZINC000436986270 981668433 /nfs/dbraw/zinc/66/84/33/981668433.db2.gz QVFPUUXEMQBTIV-ZDUSSCGKSA-N 0 2 401.196 3.513 20 0 HHADLN O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1=O)c1cc(F)c(O)c(F)c1 ZINC000436994382 981674278 /nfs/dbraw/zinc/67/42/78/981674278.db2.gz MGNUQSTWVUINFV-CQSZACIVSA-N 0 2 415.223 3.903 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3F)s2)c(C)c1 ZINC000437167029 981819522 /nfs/dbraw/zinc/81/95/22/981819522.db2.gz MAUGPLHRBWWYDK-UHFFFAOYSA-N 0 2 407.492 3.776 20 0 HHADLN CCCCCc1nnc(NS(=O)(=O)c2ccc(Br)c(F)c2)s1 ZINC000437166953 981819588 /nfs/dbraw/zinc/81/95/88/981819588.db2.gz LKMXEKZLOZDNIC-UHFFFAOYSA-N 0 2 408.318 3.973 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc(Cl)cc1F ZINC000437180854 981837310 /nfs/dbraw/zinc/83/73/10/981837310.db2.gz CRXLSUDYCBHKLB-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)cc1 ZINC000437182141 981838598 /nfs/dbraw/zinc/83/85/98/981838598.db2.gz IWEIDYFVVKKRFE-UHFFFAOYSA-N 0 2 409.533 3.638 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000460128726 981902738 /nfs/dbraw/zinc/90/27/38/981902738.db2.gz RHINQOYMXQGBGV-CQSZACIVSA-N 0 2 414.512 3.829 20 0 HHADLN COC(=O)c1ccnc(NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)c1 ZINC000437319637 981971378 /nfs/dbraw/zinc/97/13/78/981971378.db2.gz FAVOHEJVRGUBMF-UHFFFAOYSA-N 0 2 405.501 3.576 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)c(F)c1 ZINC000437332982 981984175 /nfs/dbraw/zinc/98/41/75/981984175.db2.gz LWYISJHECIBVLB-UHFFFAOYSA-N 0 2 419.381 3.612 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccnn2CCc2ccccc2)cc1Br ZINC000437410731 982053650 /nfs/dbraw/zinc/05/36/50/982053650.db2.gz MBGOVICCKMGGLB-UHFFFAOYSA-N 0 2 420.332 3.998 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2nc3c(cccc3C)s2)cn1 ZINC000437413700 982055526 /nfs/dbraw/zinc/05/55/26/982055526.db2.gz RQZQYPNGMZVPQW-UHFFFAOYSA-N 0 2 400.485 3.600 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(Cc3ccccc3F)s2)cc1C ZINC000437424857 982064153 /nfs/dbraw/zinc/06/41/53/982064153.db2.gz XEOZPVAMFRKDSK-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN O=S(=O)(Nc1ccc(OCC(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1 ZINC000460426362 982214473 /nfs/dbraw/zinc/21/44/73/982214473.db2.gz OGSNGKKAKZTCMX-UHFFFAOYSA-N 0 2 415.368 3.753 20 0 HHADLN COC(=O)c1cc(C)ccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000460443053 982234378 /nfs/dbraw/zinc/23/43/78/982234378.db2.gz JFFLVIAGKUMTNZ-UHFFFAOYSA-N 0 2 404.271 3.898 20 0 HHADLN O=S(=O)(Nc1cccc(OCc2ccc(Cl)cc2)c1)c1cnc2n1CCC2 ZINC000437657403 982274915 /nfs/dbraw/zinc/27/49/15/982274915.db2.gz BHCCRZMGTKZZPP-UHFFFAOYSA-N 0 2 403.891 3.863 20 0 HHADLN O=S(=O)(Nc1cccc(Oc2ccnc3ccccc32)c1)c1cnc2n1CCC2 ZINC000437676620 982291087 /nfs/dbraw/zinc/29/10/87/982291087.db2.gz SIFKVRURBRQFHE-UHFFFAOYSA-N 0 2 406.467 3.971 20 0 HHADLN CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c(O)c1 ZINC000460829159 982579511 /nfs/dbraw/zinc/57/95/11/982579511.db2.gz MRQYACUGOVTIFT-UHFFFAOYSA-N 0 2 420.270 3.685 20 0 HHADLN CC(C)c1nnc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)cn21 ZINC000438232185 982669824 /nfs/dbraw/zinc/66/98/24/982669824.db2.gz PGHXEHZLLVTRCM-UHFFFAOYSA-N 0 2 402.373 3.811 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3ccc(C(F)(F)F)s3)o2)c1 ZINC000461118651 982813010 /nfs/dbraw/zinc/81/30/10/982813010.db2.gz MXRYJJOLWPAGHD-UHFFFAOYSA-N 0 2 419.406 3.550 20 0 HHADLN COc1cc(OC)cc(-c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)n2)c1 ZINC000461207079 982920840 /nfs/dbraw/zinc/92/08/40/982920840.db2.gz ARSKMPUQMQFCPY-UHFFFAOYSA-N 0 2 406.410 3.845 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1cccc(-c2cc(OC)cc(OC)c2)n1 ZINC000461225984 982935908 /nfs/dbraw/zinc/93/59/08/982935908.db2.gz KYORZOQNHDWEOL-UHFFFAOYSA-N 0 2 414.483 3.713 20 0 HHADLN O=S(=O)(Nc1cccc(Oc2ccccn2)c1)c1cnn(-c2ccccc2F)c1 ZINC000438710331 983019099 /nfs/dbraw/zinc/01/90/99/983019099.db2.gz AIBIYRDBDHHHJY-UHFFFAOYSA-N 0 2 410.430 4.000 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(C)n(C)nc2c1 ZINC000461331338 983022123 /nfs/dbraw/zinc/02/21/23/983022123.db2.gz GUFISSGFIHRHHI-GFCCVEGCSA-N 0 2 423.922 3.750 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)cs1 ZINC000438751272 983045121 /nfs/dbraw/zinc/04/51/21/983045121.db2.gz BNCTUAUPAZHNQV-ZDUSSCGKSA-N 0 2 420.512 3.630 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(Oc3ccncc3)cc2)cn1 ZINC000438776497 983064091 /nfs/dbraw/zinc/06/40/91/983064091.db2.gz VSZUNDNQHQEYCA-UHFFFAOYSA-N 0 2 422.466 3.869 20 0 HHADLN CSc1ccc(Cl)cc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000438807116 983083151 /nfs/dbraw/zinc/08/31/51/983083151.db2.gz CXEJPYZVPKVSHM-UHFFFAOYSA-N 0 2 405.284 3.951 20 0 HHADLN Cc1ccccc1-n1nccc1NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000438811093 983085682 /nfs/dbraw/zinc/08/56/82/983085682.db2.gz LIOSXKPXEHZLPE-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(Br)c(C)c2)cn1 ZINC000438813633 983088190 /nfs/dbraw/zinc/08/81/90/983088190.db2.gz YLLFSMWQDRCRGX-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN COCCNc1ccc(CNC(=O)c2cc(Cl)cc(Br)c2O)cc1 ZINC000438896045 983141406 /nfs/dbraw/zinc/14/14/06/983141406.db2.gz QQTAGAIJQIWFBC-UHFFFAOYSA-N 0 2 413.699 3.796 20 0 HHADLN CCOc1ccccc1N1CCN(C(=O)C2=NN(c3ccccc3CC)CC2=O)CC1 ZINC000438904014 983145407 /nfs/dbraw/zinc/14/54/07/983145407.db2.gz LFIIEMBOHICWRC-UHFFFAOYSA-N 0 2 420.513 3.501 20 0 HHADLN O=C(NCCCn1cc[nH+]c1)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1[O-] ZINC000438906153 983146348 /nfs/dbraw/zinc/14/63/48/983146348.db2.gz XDAADIZXSUJZHW-UHFFFAOYSA-N 0 2 414.680 3.555 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@H](C)c3nnc4n3CCCCC4)=N2)cc1 ZINC000438905980 983146437 /nfs/dbraw/zinc/14/64/37/983146437.db2.gz USDAWVLZKJRFSJ-OAHLLOKOSA-N 0 2 408.506 3.510 20 0 HHADLN CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000438942729 983168917 /nfs/dbraw/zinc/16/89/17/983168917.db2.gz RJDNERSBMHHHDT-LLVKDONJSA-N 0 2 417.731 3.577 20 0 HHADLN Cn1nc(CCNC(=O)c2cc(Cl)cc(Br)c2O)c2ccccc21 ZINC000439049938 983227436 /nfs/dbraw/zinc/22/74/36/983227436.db2.gz ANGCYRPVKOEABC-UHFFFAOYSA-N 0 2 408.683 3.667 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CC[C@H](COCc3ccccc3)C2)=N1 ZINC000439108892 983253606 /nfs/dbraw/zinc/25/36/06/983253606.db2.gz FVGQBEZBWXFYOE-IBGZPJMESA-N 0 2 405.498 3.819 20 0 HHADLN CC[C@](C)(O)CN(Cc1ccccc1)C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000440017968 983615291 /nfs/dbraw/zinc/61/52/91/983615291.db2.gz DHCHCDASGJAIQI-QHCPKHFHSA-N 0 2 411.477 3.829 20 0 HHADLN Cc1oncc1C(=O)Nc1cccc(NS(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000440281609 983705949 /nfs/dbraw/zinc/70/59/49/983705949.db2.gz YEKPBYFVJKSYPV-UHFFFAOYSA-N 0 2 407.398 3.623 20 0 HHADLN CC(=O)Nc1ccc(Br)cc1NS(=O)(=O)c1cc(C)c(F)cc1F ZINC000440298091 983710716 /nfs/dbraw/zinc/71/07/16/983710716.db2.gz XNDZIEBSNDAOHU-UHFFFAOYSA-N 0 2 419.247 3.795 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@@H](C)CC3)cc1Cl ZINC000441381268 984220594 /nfs/dbraw/zinc/22/05/94/984220594.db2.gz RRPBBTLNOQQEFB-VIFPVBQESA-N 0 2 400.909 3.509 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N(Cc2ccccc2)[C@H]2CCCC2(C)C)s[nH]1 ZINC000441988289 984581852 /nfs/dbraw/zinc/58/18/52/984581852.db2.gz DTNTUQWBRBAJRF-INIZCTEOSA-N 0 2 414.575 3.804 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N2CCCCC[C@@H]2/C=C\c2cccs2)s[nH]1 ZINC000442484770 984987072 /nfs/dbraw/zinc/98/70/72/984987072.db2.gz XLFUNOLEBXIQLS-IWMPZKFUSA-N 0 2 418.588 3.742 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cnn1-c1ccccn1 ZINC000462077032 985049142 /nfs/dbraw/zinc/04/91/42/985049142.db2.gz WDNHRYBSWZGPFX-UHFFFAOYSA-N 0 2 402.479 3.948 20 0 HHADLN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)cc1 ZINC000442608262 985089361 /nfs/dbraw/zinc/08/93/61/985089361.db2.gz VGSBDHBHKKPOAQ-AWEZNQCLSA-N 0 2 421.588 3.797 20 0 HHADLN CCC[C@@H](C)N1Cc2cccc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)c2C1 ZINC000442615521 985093246 /nfs/dbraw/zinc/09/32/46/985093246.db2.gz CVZBHHFVCYMIGI-MRXNPFEDSA-N 0 2 415.559 3.693 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCC(C)(C)c2cccs2)c(F)c1Cl ZINC000462133693 985105153 /nfs/dbraw/zinc/10/51/53/985105153.db2.gz KVNZCLXHHPKLHT-UHFFFAOYSA-N 0 2 422.906 3.894 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)Cc2ccccc2F)c(F)c1Cl ZINC000462190204 985172062 /nfs/dbraw/zinc/17/20/62/985172062.db2.gz RZPQXHKZASIGFC-SECBINFHSA-N 0 2 420.840 3.625 20 0 HHADLN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2c(C)csc2C(=O)OC)cc1 ZINC000442810107 985222895 /nfs/dbraw/zinc/22/28/95/985222895.db2.gz MGXYPNZRDMAFNM-UHFFFAOYSA-N 0 2 424.544 3.562 20 0 HHADLN O=S(=O)(Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1)c1cnccc1C(F)(F)F ZINC000442835521 985237155 /nfs/dbraw/zinc/23/71/55/985237155.db2.gz YLBUJDOFKHQHLW-UHFFFAOYSA-N 0 2 409.393 3.564 20 0 HHADLN CC[C@@]1(C)Oc2ccc(NS(=O)(=O)c3cnn(-c4ccccc4OC)c3)cc2O1 ZINC000442842562 985241078 /nfs/dbraw/zinc/24/10/78/985241078.db2.gz QHPQBGIBASXYPL-FQEVSTJZSA-N 0 2 415.471 3.579 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(C4CC4)sc3c2)c(OC)c1 ZINC000442853979 985246895 /nfs/dbraw/zinc/24/68/95/985246895.db2.gz VMAPNAWTEVJNHO-UHFFFAOYSA-N 0 2 418.496 3.770 20 0 HHADLN CC(C)[C@@H](C)N1Cc2cccc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)c2C1 ZINC000462377236 985360916 /nfs/dbraw/zinc/36/09/16/985360916.db2.gz ADQZPGWKLNJFAD-MRXNPFEDSA-N 0 2 415.559 3.549 20 0 HHADLN CC(C)[C@@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cccc(C(=O)N(C)C)c3)c2C1 ZINC000462377236 985360928 /nfs/dbraw/zinc/36/09/28/985360928.db2.gz ADQZPGWKLNJFAD-MRXNPFEDSA-N 0 2 415.559 3.549 20 0 HHADLN CC(C)[C@@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cccc(C(=O)N(C)C)c3)c2C1 ZINC000462377236 985360944 /nfs/dbraw/zinc/36/09/44/985360944.db2.gz ADQZPGWKLNJFAD-MRXNPFEDSA-N 0 2 415.559 3.549 20 0 HHADLN O=C1Cc2cc(S(=O)(=O)Nc3ncc(C4CCCCC4)s3)cc3c2N1CCC3 ZINC000462380911 985364050 /nfs/dbraw/zinc/36/40/50/985364050.db2.gz NTQRRNMIYJRUAS-UHFFFAOYSA-N 0 2 417.556 3.827 20 0 HHADLN O=S(=O)(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cnccc1C(F)(F)F ZINC000443134658 985398007 /nfs/dbraw/zinc/39/80/07/985398007.db2.gz QFTAIAILWVGKJR-UHFFFAOYSA-N 0 2 419.388 3.611 20 0 HHADLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)OC)cc3OC)sc2C1 ZINC000443136384 985399696 /nfs/dbraw/zinc/39/96/96/985399696.db2.gz BMPPDQIKIOBFAX-LBPRGKRZSA-N 0 2 424.544 3.644 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CCc3ccccc32)c(F)c1Cl ZINC000462453725 985416782 /nfs/dbraw/zinc/41/67/82/985416782.db2.gz HJQZJVUOUFYRIV-ZDUSSCGKSA-N 0 2 400.834 3.542 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCCc2cccc(Cl)c2)c(F)c1Cl ZINC000462477235 985433601 /nfs/dbraw/zinc/43/36/01/985433601.db2.gz DMTZBDAKWXAPHJ-UHFFFAOYSA-N 0 2 423.268 3.751 20 0 HHADLN C[C@@H]1CCC[C@@H](OCc2cccc(NS(=O)(=O)c3cnn([C@H]4CCOC4)c3)c2)C1 ZINC000443450958 985618825 /nfs/dbraw/zinc/61/88/25/985618825.db2.gz BWIMPKGMPGEFLV-LSTHTHJFSA-N 0 2 419.547 3.741 20 0 HHADLN Cn1cc(NS(=O)(=O)c2ccsc2C(=O)Nc2cccc(C3CCC3)c2)cn1 ZINC000462714247 985660936 /nfs/dbraw/zinc/66/09/36/985660936.db2.gz DXISOXNDOOULNE-UHFFFAOYSA-N 0 2 416.528 3.802 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H]3CCO[C@@H](c4ccccc4)C3)s[nH]2)c1 ZINC000462728054 985674525 /nfs/dbraw/zinc/67/45/25/985674525.db2.gz QZSZFHYCCMGSJN-FUHWJXTLSA-N 0 2 410.499 3.677 20 0 HHADLN CCN(Cc1c[nH]c2ccccc12)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000443572555 985747206 /nfs/dbraw/zinc/74/72/06/985747206.db2.gz HMYDYFBFFIUMAA-UHFFFAOYSA-N 0 2 404.474 3.597 20 0 HHADLN CCc1nc(C)c(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)s1 ZINC000443578665 985754082 /nfs/dbraw/zinc/75/40/82/985754082.db2.gz HJWDPEBMKOPOQF-UHFFFAOYSA-N 0 2 408.530 3.524 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccc2ncsc2c1 ZINC000443579641 985754232 /nfs/dbraw/zinc/75/42/32/985754232.db2.gz IXCLHLDLPTXDKY-UHFFFAOYSA-N 0 2 416.509 3.806 20 0 HHADLN C[C@H](Cc1ccccc1F)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443589636 985765942 /nfs/dbraw/zinc/76/59/42/985765942.db2.gz LPFQJXUNZXYRMY-CYBMUJFWSA-N 0 2 419.503 3.900 20 0 HHADLN Cc1cc(NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc(C)c1O ZINC000443604116 985781877 /nfs/dbraw/zinc/78/18/77/985781877.db2.gz KQEOYSPFAGTZPN-UHFFFAOYSA-N 0 2 418.500 3.910 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000468356396 986053549 /nfs/dbraw/zinc/05/35/49/986053549.db2.gz BBNKKCOIOBFNAY-JTQLQIEISA-N 0 2 424.828 3.968 20 0 HHADLN O=C(CCNS(=O)(=O)c1cccc(Cl)c1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000463107964 986069517 /nfs/dbraw/zinc/06/95/17/986069517.db2.gz VBRGRSQCRFOODN-UHFFFAOYSA-N 0 2 423.705 3.660 20 0 HHADLN Cc1c(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cnn1CCO[C@H]1CCCCO1 ZINC000463110386 986072433 /nfs/dbraw/zinc/07/24/33/986072433.db2.gz YXYVNXHTYJHCCO-INIZCTEOSA-N 0 2 414.289 3.999 20 0 HHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 ZINC000463113412 986076247 /nfs/dbraw/zinc/07/62/47/986076247.db2.gz YLTYAISWSIYXOO-UHFFFAOYSA-N 0 2 418.162 3.946 20 0 HHADLN CC(C)C[C@@H]1C[C@@H](C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)CC(=O)N1 ZINC000463170689 986142557 /nfs/dbraw/zinc/14/25/57/986142557.db2.gz LFJUIYGPZALSHY-ZYHUDNBSSA-N 0 2 410.305 3.658 20 0 HHADLN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S(=O)(=O)c2ccccc2C(F)(F)F)c1C ZINC000468488420 986186780 /nfs/dbraw/zinc/18/67/80/986186780.db2.gz PLBMAJLKXMGOAI-LBPRGKRZSA-N 0 2 401.406 3.898 20 0 HHADLN CCc1nc(NS(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)sc1C ZINC000444047504 986245460 /nfs/dbraw/zinc/24/54/60/986245460.db2.gz SWHBQVPDMJKPPM-UHFFFAOYSA-N 0 2 418.338 3.536 20 0 HHADLN COCc1nc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)ccc2o1 ZINC000444053480 986252592 /nfs/dbraw/zinc/25/25/92/986252592.db2.gz JRBSEQLEXCHKPD-UHFFFAOYSA-N 0 2 404.341 3.933 20 0 HHADLN Cc1ccccc1-c1cc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)n(C)n1 ZINC000444055067 986255131 /nfs/dbraw/zinc/25/51/31/986255131.db2.gz NBUKPZRQZPXYAM-UHFFFAOYSA-N 0 2 405.483 3.653 20 0 HHADLN CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000444055838 986255985 /nfs/dbraw/zinc/25/59/85/986255985.db2.gz IEUPNKRBKYIIJR-UHFFFAOYSA-N 0 2 423.853 3.642 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3ccccc3)o2)c(C)cc1Br ZINC000444058166 986259813 /nfs/dbraw/zinc/25/98/13/986259813.db2.gz OSRHYNFTULDQRR-UHFFFAOYSA-N 0 2 408.277 3.917 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1nnc(-c2ccccc2)o1 ZINC000444062468 986265035 /nfs/dbraw/zinc/26/50/35/986265035.db2.gz MEYDWIKMQPRHNW-UHFFFAOYSA-N 0 2 415.452 3.539 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc(NC(=O)C(C)(C)C)ccc1F ZINC000463306219 986273206 /nfs/dbraw/zinc/27/32/06/986273206.db2.gz IBYMNRNYLVLMNW-UHFFFAOYSA-N 0 2 416.478 3.793 20 0 HHADLN CCn1c2ccccc2nc1[C@H]1CCCN1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000468611585 986326576 /nfs/dbraw/zinc/32/65/76/986326576.db2.gz NIKZFMJSGPTNFA-LJQANCHMSA-N 0 2 401.470 3.925 20 0 HHADLN CCOc1cc(N2CCOC(C)(C)C2)ccc1NS(=O)(=O)c1ccccc1F ZINC000444199279 986377695 /nfs/dbraw/zinc/37/76/95/986377695.db2.gz VKEDTHOAZJSLQP-UHFFFAOYSA-N 0 2 408.495 3.640 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)=N1 ZINC000468692891 986405120 /nfs/dbraw/zinc/40/51/20/986405120.db2.gz GQSOVXOMMLOGBH-MRXNPFEDSA-N 0 2 422.460 3.516 20 0 HHADLN Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@H](Cc3csc4ccccc34)C1)c2=O ZINC000468726364 986439459 /nfs/dbraw/zinc/43/94/59/986439459.db2.gz UPWYEJRQJLXIAY-CQSZACIVSA-N 0 2 406.511 3.984 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)=N1 ZINC000468745368 986458834 /nfs/dbraw/zinc/45/88/34/986458834.db2.gz VFTJWOPHOPMTAO-ZDUSSCGKSA-N 0 2 413.453 3.947 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)=N1 ZINC000468750032 986464167 /nfs/dbraw/zinc/46/41/67/986464167.db2.gz URHSSEDTZOGWQT-VBKZILBWSA-N 0 2 413.424 3.767 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000468811153 986519779 /nfs/dbraw/zinc/51/97/79/986519779.db2.gz CMASEDUQZGPZQN-NSHDSACASA-N 0 2 416.952 3.890 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)c1 ZINC000468875985 986583100 /nfs/dbraw/zinc/58/31/00/986583100.db2.gz IAFINHFIXUXLAM-UHFFFAOYSA-N 0 2 415.452 3.539 20 0 HHADLN C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000444408673 986589759 /nfs/dbraw/zinc/58/97/59/986589759.db2.gz HTFORBFTNWMQCS-BFUOFWGJSA-N 0 2 415.852 3.973 20 0 HHADLN CN1CCc2ccc(S(=O)(=O)Nc3nnc(-c4cc5ccccc5o4)s3)cc21 ZINC000468887358 986593792 /nfs/dbraw/zinc/59/37/92/986593792.db2.gz JDYOHFALEFXSCE-UHFFFAOYSA-N 0 2 412.496 3.744 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000468967427 986670621 /nfs/dbraw/zinc/67/06/21/986670621.db2.gz MEWUTOJYXNBKRY-UHFFFAOYSA-N 0 2 422.503 3.699 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)cc1OC ZINC000468979627 986684403 /nfs/dbraw/zinc/68/44/03/986684403.db2.gz PATKCMZOGFVZAN-UHFFFAOYSA-N 0 2 417.468 3.769 20 0 HHADLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1cc(Cl)ccc1Oc1cccc(Cl)c1 ZINC000468992278 986698750 /nfs/dbraw/zinc/69/87/50/986698750.db2.gz NYRKIMQEHNWRBC-UHFFFAOYSA-N 0 2 407.257 3.972 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2c(C)noc2-c2ccccc2)c1 ZINC000463784262 986774200 /nfs/dbraw/zinc/77/42/00/986774200.db2.gz FIYSPKGLZLHDJV-UHFFFAOYSA-N 0 2 404.419 3.767 20 0 HHADLN Cc1cc(NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c(C)cc1O ZINC000444913118 987060832 /nfs/dbraw/zinc/06/08/32/987060832.db2.gz RVQQFKRVWGYKLE-UHFFFAOYSA-N 0 2 418.500 3.910 20 0 HHADLN COCCc1cc(O)ccc1NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000445119661 987222767 /nfs/dbraw/zinc/22/27/67/987222767.db2.gz SSKZSSQWJOOXKH-UHFFFAOYSA-N 0 2 404.879 3.819 20 0 HHADLN CC(=O)Nc1ccccc1CC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000445208849 987277944 /nfs/dbraw/zinc/27/79/44/987277944.db2.gz FVZPCVYLDUZZOI-UHFFFAOYSA-N 0 2 404.257 3.918 20 0 HHADLN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C1 ZINC000463950635 988061543 /nfs/dbraw/zinc/06/15/43/988061543.db2.gz LXISKSDEPVGMRS-ZDUSSCGKSA-N 0 2 422.938 3.866 20 0 HHADLN CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C1 ZINC000463952789 988064221 /nfs/dbraw/zinc/06/42/21/988064221.db2.gz SRZXHMUBWDBDOR-LBPRGKRZSA-N 0 2 422.938 3.866 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NCCCc3nc4ccccc4n3C)=N2)cc1 ZINC000470909831 988986255 /nfs/dbraw/zinc/98/62/55/988986255.db2.gz VPOAIJWOMQTURW-UHFFFAOYSA-N 0 2 417.513 3.951 20 0 HHADLN O=C(CCc1nnc(C2CCCC2)o1)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000471280312 989434390 /nfs/dbraw/zinc/43/43/90/989434390.db2.gz RTJXXUADUVQEFA-UHFFFAOYSA-N 0 2 403.895 3.892 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nnc(-c3ccco3)s2)cnn1-c1ccc(Cl)cc1 ZINC000471503442 989700594 /nfs/dbraw/zinc/70/05/94/989700594.db2.gz MOAUSHYGANMYDS-UHFFFAOYSA-N 0 2 421.891 3.746 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2nnc(Cc3ccc(C)cc3)s2)ccc1C ZINC000471516298 989715144 /nfs/dbraw/zinc/71/51/44/989715144.db2.gz PHEVTYSGJLCPOI-UHFFFAOYSA-N 0 2 416.528 3.505 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(CC4CCCCC4)n[nH]3)cc2C[C@H]1C ZINC000471520066 989719256 /nfs/dbraw/zinc/71/92/56/989719256.db2.gz BGWFFUDIKOPILS-CQSZACIVSA-N 0 2 416.547 3.631 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)cc1-n1cccn1)c1cnn(Cc2ccccc2)c1 ZINC000471570475 989772508 /nfs/dbraw/zinc/77/25/08/989772508.db2.gz NTTWVVORTUCIBD-UHFFFAOYSA-N 0 2 413.890 3.571 20 0 HHADLN Cc1ccc(-c2noc([C@H](C)NS(=O)(=O)c3c(F)cc(F)cc3F)n2)cc1F ZINC000471872452 990044768 /nfs/dbraw/zinc/04/47/68/990044768.db2.gz VIWQYAZXGKNSEQ-VIFPVBQESA-N 0 2 415.368 3.641 20 0 HHADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2cccc3cc(C)cnc32)n1 ZINC000471900637 990070609 /nfs/dbraw/zinc/07/06/09/990070609.db2.gz QSNWKAAYGYAPLI-UHFFFAOYSA-N 0 2 402.526 3.654 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)nc1 ZINC000471906010 990074556 /nfs/dbraw/zinc/07/45/56/990074556.db2.gz OEGGLHQJKUHRAV-UHFFFAOYSA-N 0 2 412.393 3.910 20 0 HHADLN O=S(=O)(Nc1ccnn1-c1cccc(F)c1)c1ccc(Br)c(F)c1 ZINC000471930909 990097048 /nfs/dbraw/zinc/09/70/48/990097048.db2.gz YRICJXURUBUPLJ-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(F)ccc1SCC(F)F ZINC000466250417 991488065 /nfs/dbraw/zinc/48/80/65/991488065.db2.gz AXQHTQWHZGJKIC-UHFFFAOYSA-N 0 2 423.409 3.909 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccc(-c2nc(C)cs2)c1 ZINC000466265914 991511709 /nfs/dbraw/zinc/51/17/09/991511709.db2.gz WIBPJOKBWYKVDY-UHFFFAOYSA-N 0 2 406.460 3.845 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3cc(C)nn3-c3ccccc3)cc2F)c1 ZINC000466379267 991663470 /nfs/dbraw/zinc/66/34/70/991663470.db2.gz WSDOTXNHJWUCJB-UHFFFAOYSA-N 0 2 411.462 3.615 20 0 HHADLN COC[C@H]1CCCCN(C(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)C1 ZINC000466717052 992028825 /nfs/dbraw/zinc/02/88/25/992028825.db2.gz IXZDECAJVOESHS-INIZCTEOSA-N 0 2 422.572 3.746 20 0 HHADLN Cc1ccc(CNC(=O)N=c2nc(-c3ccccc3)[nH]s2)c(OC[C@@H]2CCCO2)c1 ZINC000466981678 992291573 /nfs/dbraw/zinc/29/15/73/992291573.db2.gz VUGKZOFFVFPKRU-SFHVURJKSA-N 0 2 424.526 3.815 20 0 HHADLN O=S(=O)(Nc1cc(C2CCCCC2)n[nH]1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000467027656 992336253 /nfs/dbraw/zinc/33/62/53/992336253.db2.gz AKOYPNLZASTZRE-CQSZACIVSA-N 0 2 423.510 3.813 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N(CCCO)[C@H]1CCCc2ccccc21 ZINC000467229239 992552206 /nfs/dbraw/zinc/55/22/06/992552206.db2.gz JRJDBKBBOOFFHI-IBGZPJMESA-N 0 2 408.527 3.921 20 0 HHADLN CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000467756514 993000903 /nfs/dbraw/zinc/00/09/03/993000903.db2.gz VIHRNERTJIHESV-WMLDXEAASA-N 0 2 423.560 3.868 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC[C@@H](C(F)(F)F)[C@H]3C)s[nH]2)c1 ZINC000481151760 993985600 /nfs/dbraw/zinc/98/56/00/993985600.db2.gz SOZFUDZPIHOKMZ-ZWNOBZJWSA-N 0 2 400.426 3.830 20 0 HHADLN CCS[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000481358606 994184634 /nfs/dbraw/zinc/18/46/34/994184634.db2.gz LNCVHOZXGKLAQP-ZYHUDNBSSA-N 0 2 412.911 3.529 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)CCc3ccccc3)s2)c1 ZINC000481420119 994253967 /nfs/dbraw/zinc/25/39/67/994253967.db2.gz NXXURJVFIPEAHW-UHFFFAOYSA-N 0 2 416.524 3.505 20 0 HHADLN CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)c1 ZINC000473483551 994327684 /nfs/dbraw/zinc/32/76/84/994327684.db2.gz USCAPDCVZHOKKW-UHFFFAOYSA-N 0 2 415.462 3.763 20 0 HHADLN CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2cn(CC(C)C)nc2C(F)F)c1 ZINC000473484264 994328181 /nfs/dbraw/zinc/32/81/81/994328181.db2.gz QEEVXCKIXDPPRJ-UHFFFAOYSA-N 0 2 415.462 3.763 20 0 HHADLN CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccnn2Cc2sccc2C)c1 ZINC000473486501 994330949 /nfs/dbraw/zinc/33/09/49/994330949.db2.gz GHHKFIIMJMIZTF-UHFFFAOYSA-N 0 2 419.528 3.587 20 0 HHADLN COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473487368 994331749 /nfs/dbraw/zinc/33/17/49/994331749.db2.gz KARLCUHDEQAOCJ-UHFFFAOYSA-N 0 2 407.250 3.900 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)ccc1S(C)(=O)=O ZINC000473488956 994333035 /nfs/dbraw/zinc/33/30/35/994333035.db2.gz MABLIGGQAGCMQE-UHFFFAOYSA-N 0 2 412.291 3.645 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCO[C@H](COc4ccccc4)C3)=N2)cc1 ZINC000481531143 994362415 /nfs/dbraw/zinc/36/24/15/994362415.db2.gz LIESCNVBWJTEQZ-NRFANRHFSA-N 0 2 421.497 3.621 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc3nc(C4CC4)sc3c2)cnn1-c1ccccn1 ZINC000481588163 994432692 /nfs/dbraw/zinc/43/26/92/994432692.db2.gz SQZMCFCOWMHKIF-UHFFFAOYSA-N 0 2 411.512 3.864 20 0 HHADLN O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(-c2nnc[nH]2)cc1 ZINC000473739127 994639423 /nfs/dbraw/zinc/63/94/23/994639423.db2.gz GCTAJRAKXYJZIK-UHFFFAOYSA-N 0 2 419.466 3.525 20 0 HHADLN CCCc1nnc(NS(=O)(=O)c2ccc3oc(C(=O)OCC)c(C)c3c2)s1 ZINC000473758679 994670590 /nfs/dbraw/zinc/67/05/90/994670590.db2.gz COUYIUKBYYNBMI-UHFFFAOYSA-N 0 2 409.489 3.523 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2c3c(nn2C(C)C)CCC3)c(Br)c1 ZINC000481840251 994693955 /nfs/dbraw/zinc/69/39/55/994693955.db2.gz MAMDNXIMACQASB-UHFFFAOYSA-N 0 2 414.325 3.525 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccnc(-c2ccccc2)c1 ZINC000473773260 994694059 /nfs/dbraw/zinc/69/40/59/994694059.db2.gz NLXVCZWJURNQOX-UHFFFAOYSA-N 0 2 400.442 3.767 20 0 HHADLN CC(C)Cn1ncc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)c1C(C)C ZINC000473780705 994703056 /nfs/dbraw/zinc/70/30/56/994703056.db2.gz WARZFVBZLFHLAR-UHFFFAOYSA-N 0 2 411.510 3.681 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3ccc(OCC(C)C)cc3)o2)cc1 ZINC000481848555 994703921 /nfs/dbraw/zinc/70/39/21/994703921.db2.gz TUFPBJJDVYVUDD-UHFFFAOYSA-N 0 2 417.487 3.971 20 0 HHADLN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3nnc(-c4ccco4)o3)ccc2s1 ZINC000481852219 994708841 /nfs/dbraw/zinc/70/88/41/994708841.db2.gz CRBQBXRHZGJCON-UHFFFAOYSA-N 0 2 419.440 3.522 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3ccc(CC(C)C)cc3)o2)c1 ZINC000481865501 994726131 /nfs/dbraw/zinc/72/61/31/994726131.db2.gz KUDOWYAHSGCMSE-UHFFFAOYSA-N 0 2 401.488 3.668 20 0 HHADLN CCC(=O)c1cccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)cn2)c1 ZINC000481871513 994734850 /nfs/dbraw/zinc/73/48/50/994734850.db2.gz UYPYDFGPDCWXHA-UHFFFAOYSA-N 0 2 409.467 3.727 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)c2ccccc12 ZINC000481924637 994796974 /nfs/dbraw/zinc/79/69/74/994796974.db2.gz QGBKTLWFCACQAE-UHFFFAOYSA-N 0 2 401.513 3.934 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)CCCCC2)c1ccc(OCC(F)(F)F)nc1 ZINC000481946365 994826179 /nfs/dbraw/zinc/82/61/79/994826179.db2.gz WDUPNQPCZLFVEO-UHFFFAOYSA-N 0 2 407.439 3.549 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1CCSc2c(F)cccc21 ZINC000473895378 994850285 /nfs/dbraw/zinc/85/02/85/994850285.db2.gz MFWMTCJFYUABDC-MRXNPFEDSA-N 0 2 413.478 3.559 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(OC3CCC3)c(F)c2)cn1 ZINC000481970226 994860470 /nfs/dbraw/zinc/86/04/70/994860470.db2.gz ZBCZMNIRGWYMHV-UHFFFAOYSA-N 0 2 417.462 3.752 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000473912793 994877947 /nfs/dbraw/zinc/87/79/47/994877947.db2.gz RQEYFENJUCIKBT-INIZCTEOSA-N 0 2 419.407 3.877 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CC[C@H](OCc4ccccn4)C3)=N2)cc1 ZINC000473984636 994971437 /nfs/dbraw/zinc/97/14/37/994971437.db2.gz QKOAMKYDHHAKPB-FQEVSTJZSA-N 0 2 406.486 3.528 20 0 HHADLN CCCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000482052053 994977530 /nfs/dbraw/zinc/97/75/30/994977530.db2.gz JLFSVTVAGFDTDA-UHFFFAOYSA-N 0 2 423.498 3.644 20 0 HHADLN CCC(CC)(CNC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccccc1 ZINC000474022684 995014691 /nfs/dbraw/zinc/01/46/91/995014691.db2.gz KHRHAMXOOVZFMF-UHFFFAOYSA-N 0 2 407.518 3.941 20 0 HHADLN O=C(NCc1cc(Cl)sc1Cl)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474025861 995017633 /nfs/dbraw/zinc/01/76/33/995017633.db2.gz XUPOCGBJSPDNNB-UHFFFAOYSA-N 0 2 412.302 3.751 20 0 HHADLN CCCCO[C@H]1C[C@@H](N(C)C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1(C)C ZINC000474075188 995060148 /nfs/dbraw/zinc/06/01/48/995060148.db2.gz VLXAGCIFPFZQBD-MSOLQXFVSA-N 0 2 415.538 3.509 20 0 HHADLN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474078185 995064024 /nfs/dbraw/zinc/06/40/24/995064024.db2.gz YDYPSKKMXBAAEK-LJQANCHMSA-N 0 2 407.518 3.855 20 0 HHADLN Cc1cc(NS(=O)(=O)c2c(Cl)ccc3ccccc32)n(-c2ccc(C)nn2)n1 ZINC000474406964 995374989 /nfs/dbraw/zinc/37/49/89/995374989.db2.gz CXWVQBJLWFSNAE-UHFFFAOYSA-N 0 2 413.890 3.887 20 0 HHADLN O=S(=O)(Nc1cc(C2CC2)n[nH]1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000474412027 995377841 /nfs/dbraw/zinc/37/78/41/995377841.db2.gz KBEPAZUAYUIGRI-UHFFFAOYSA-N 0 2 410.215 3.869 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccccn3)s2)cc1C(F)(F)F ZINC000474418261 995382256 /nfs/dbraw/zinc/38/22/56/995382256.db2.gz SCAVRMCZIZAEAG-UHFFFAOYSA-N 0 2 400.407 3.728 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccc2)s1)c1ccc(Br)c(F)c1 ZINC000474418613 995383044 /nfs/dbraw/zinc/38/30/44/995383044.db2.gz SRQUHXWSQWXSTO-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ncoc1-c1ccccc1Cl ZINC000474571491 995533644 /nfs/dbraw/zinc/53/36/44/995533644.db2.gz AHVCNDYUJCRLTD-UHFFFAOYSA-N 0 2 409.833 3.622 20 0 HHADLN Cc1nc(-c2ccccc2)sc1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474574900 995536351 /nfs/dbraw/zinc/53/63/51/995536351.db2.gz CSXPGZLFFJESDW-UHFFFAOYSA-N 0 2 405.483 3.746 20 0 HHADLN COc1ccc(C2(C(=O)NCc3nnc(COc4ccccc4)[nH]3)CCCCC2)cc1 ZINC000474584553 995544093 /nfs/dbraw/zinc/54/40/93/995544093.db2.gz SRNIJHVXJQMUSP-UHFFFAOYSA-N 0 2 420.513 3.911 20 0 HHADLN C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474585404 995545087 /nfs/dbraw/zinc/54/50/87/995545087.db2.gz LZZXQKFDQQGLBO-GFCCVEGCSA-N 0 2 421.284 3.774 20 0 HHADLN C[C@@H]1CCc2[nH]c3ccc(C(=O)NCc4nnc(COc5ccccc5)[nH]4)cc3c2C1 ZINC000474586041 995545236 /nfs/dbraw/zinc/54/52/36/995545236.db2.gz NZHNGEQXHRBQRP-OAHLLOKOSA-N 0 2 415.497 3.920 20 0 HHADLN CCCOc1ccc(Cl)cc1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474586518 995545788 /nfs/dbraw/zinc/54/57/88/995545788.db2.gz XWHNGHCMITYNCU-UHFFFAOYSA-N 0 2 400.866 3.756 20 0 HHADLN O=C(CSCc1cccc(Cl)c1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474593689 995552772 /nfs/dbraw/zinc/55/27/72/995552772.db2.gz SMXPWCNWGKTTCH-UHFFFAOYSA-N 0 2 402.907 3.587 20 0 HHADLN COc1cc(Cl)c(Cl)cc1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474595775 995554307 /nfs/dbraw/zinc/55/43/07/995554307.db2.gz ZOQLVUYTUCETGO-UHFFFAOYSA-N 0 2 407.257 3.629 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CC(C)(C)O[C@]4(CCCOC4)C3)=N2)cc1 ZINC000482857320 995796180 /nfs/dbraw/zinc/79/61/80/995796180.db2.gz JLSZNQFUWLMCQV-HSZRJFAPSA-N 0 2 413.518 3.502 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@@H](c1cccc(F)c1)c1ccccn1 ZINC000483239531 996054451 /nfs/dbraw/zinc/05/44/51/996054451.db2.gz YGYVRWLOMKVHRP-SFHVURJKSA-N 0 2 423.473 3.862 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)=N1 ZINC000483684286 996327270 /nfs/dbraw/zinc/32/72/70/996327270.db2.gz NINLNCXJLMALQC-OAQYLSRUSA-N 0 2 419.460 3.532 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1F ZINC000475739621 996338507 /nfs/dbraw/zinc/33/85/07/996338507.db2.gz OTRYTGNGDNYAFH-UHFFFAOYSA-N 0 2 402.850 3.564 20 0 HHADLN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3cnn(CC(C)C)c3)ccc2s1 ZINC000475818021 996390477 /nfs/dbraw/zinc/39/04/77/996390477.db2.gz XVLPBSWPXXLEGB-UHFFFAOYSA-N 0 2 407.517 3.731 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)CC(C)(C)C)cc2)nc(C)n1 ZINC000483903950 996460410 /nfs/dbraw/zinc/46/04/10/996460410.db2.gz YYLIIUMWORKQQA-ZDUSSCGKSA-N 0 2 404.536 3.905 20 0 HHADLN Cc1nc2cc(F)c(F)cc2n1CC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000475910895 996463987 /nfs/dbraw/zinc/46/39/87/996463987.db2.gz KOQFZZKCSBQMMF-UHFFFAOYSA-N 0 2 419.844 3.855 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3cc(F)c(C)cc3F)s2)c1 ZINC000476076432 996582457 /nfs/dbraw/zinc/58/24/57/996582457.db2.gz ARQOJZDIUYVNAL-UHFFFAOYSA-N 0 2 411.455 3.525 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000484218034 996641048 /nfs/dbraw/zinc/64/10/48/996641048.db2.gz GYYQQZMPXHXPGD-UHFFFAOYSA-N 0 2 411.476 3.570 20 0 HHADLN Cc1nnc(NS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)s1 ZINC000476228106 996690947 /nfs/dbraw/zinc/69/09/47/996690947.db2.gz ICBWLPFXZYDNBM-UHFFFAOYSA-N 0 2 403.110 3.717 20 0 HHADLN CCc1ccc([C@H]2CN(C(=O)N=c3nc(-c4cccc(OC)c4)[nH]s3)CCO2)cc1 ZINC000484344013 996716401 /nfs/dbraw/zinc/71/64/01/996716401.db2.gz WRVXRHQIHCTEHE-LJQANCHMSA-N 0 2 424.526 3.803 20 0 HHADLN COc1ccc(C)cc1NS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000476271650 996722250 /nfs/dbraw/zinc/72/22/50/996722250.db2.gz HMXCVDCEDPOYEC-UHFFFAOYSA-N 0 2 400.294 3.884 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(OC)ccc3Br)s[nH]2)c1 ZINC000476313339 996749050 /nfs/dbraw/zinc/74/90/50/996749050.db2.gz DQXCXRRSSMPKCC-UHFFFAOYSA-N 0 2 420.288 3.659 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cnn(-c4cccc(Cl)c4)c3)s[nH]2)c1 ZINC000476315747 996752064 /nfs/dbraw/zinc/75/20/64/996752064.db2.gz KFZWSBPJJMCCFG-UHFFFAOYSA-N 0 2 411.874 3.727 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3c4c(nc5ccccc53)CCC4)s[nH]2)c1 ZINC000476320501 996754285 /nfs/dbraw/zinc/75/42/85/996754285.db2.gz VTJAGPMKLJFJIR-UHFFFAOYSA-N 0 2 402.479 3.925 20 0 HHADLN CCCCCn1nc(C)cc1NS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000484434525 996763329 /nfs/dbraw/zinc/76/33/29/996763329.db2.gz QEPSKDGKLSCNKJ-UHFFFAOYSA-N 0 2 416.341 3.954 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)ccc1Br ZINC000476391150 996840934 /nfs/dbraw/zinc/84/09/34/996840934.db2.gz TWCQTLLLTRHPJG-UHFFFAOYSA-N 0 2 422.304 3.503 20 0 HHADLN Cc1noc2ncc(S(=O)(=O)Nc3ccc(C)cc3-c3nc(C4CC4)no3)cc12 ZINC000476407101 996866160 /nfs/dbraw/zinc/86/61/60/996866160.db2.gz FVQKBPYFFLAVJF-UHFFFAOYSA-N 0 2 411.443 3.568 20 0 HHADLN O=C(NC1(c2ccccc2)CCC1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476415203 996877363 /nfs/dbraw/zinc/87/73/63/996877363.db2.gz OHWHXGFBBDTKEP-UHFFFAOYSA-N 0 2 413.524 3.753 20 0 HHADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc(C)c2c[nH]nc21 ZINC000476425840 996893810 /nfs/dbraw/zinc/89/38/10/996893810.db2.gz KBDZFOXPAYCXDC-UHFFFAOYSA-N 0 2 410.293 3.752 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc(Cl)c(Cl)c1 ZINC000476445516 996916856 /nfs/dbraw/zinc/91/68/56/996916856.db2.gz CXEHHMHLYWIHIR-UHFFFAOYSA-N 0 2 414.226 3.573 20 0 HHADLN C[C@H]1Cc2ccccc2N(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000476551226 997044247 /nfs/dbraw/zinc/04/42/47/997044247.db2.gz RLXVMBYBWWNSCB-AWEZNQCLSA-N 0 2 413.524 3.783 20 0 HHADLN COc1cccc(C[C@H](NC(C)=O)C(=O)Nc2cc3sc(C)nc3cc2Cl)c1 ZINC000484709626 997048482 /nfs/dbraw/zinc/04/84/82/997048482.db2.gz NDTUMMANKUJCAB-SFHVURJKSA-N 0 2 417.918 3.953 20 0 HHADLN CC(C)[C@@H](CNC(=O)[C@H](C(C)C)S(=O)(=O)C1CCCCC1)N1CCC(C)CC1 ZINC000484710010 997048776 /nfs/dbraw/zinc/04/87/76/997048776.db2.gz RWYZLXXPTVWOBD-RTWAWAEBSA-N 0 2 414.656 3.631 20 0 HHADLN Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3CCCc4cn[nH]c43)c2)c1 ZINC000484730975 997072407 /nfs/dbraw/zinc/07/24/07/997072407.db2.gz CMLQVYLTPZTCGL-LJQANCHMSA-N 0 2 424.526 3.635 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)c1cscn1 ZINC000484866941 997231525 /nfs/dbraw/zinc/23/15/25/997231525.db2.gz UEQDLJXELMGBQW-UHFFFAOYSA-N 0 2 411.867 3.989 20 0 HHADLN Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476747293 997301271 /nfs/dbraw/zinc/30/12/71/997301271.db2.gz NPFHEOAMMWCTQJ-GOSISDBHSA-N 0 2 413.524 3.670 20 0 HHADLN C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476782528 997339210 /nfs/dbraw/zinc/33/92/10/997339210.db2.gz WJBLPZQKDNXDOQ-GFCCVEGCSA-N 0 2 419.553 3.765 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1c(F)ccc(F)c1F ZINC000476910106 997516419 /nfs/dbraw/zinc/51/64/19/997516419.db2.gz BEJRBVKATQJAPB-UHFFFAOYSA-N 0 2 413.402 3.614 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)ns2)c(Cl)c1Cl ZINC000476910658 997517178 /nfs/dbraw/zinc/51/71/78/997517178.db2.gz CBSVUOYFIKRHGS-UHFFFAOYSA-N 0 2 416.311 3.743 20 0 HHADLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3cncc(Br)c3)sc2C1 ZINC000476914681 997523424 /nfs/dbraw/zinc/52/34/24/997523424.db2.gz OAOMVYNLDWFEGY-SECBINFHSA-N 0 2 402.339 3.616 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3cc(C)cc(F)c3)s2)c1 ZINC000476927604 997540689 /nfs/dbraw/zinc/54/06/89/997540689.db2.gz ONJNOJUMTPGTRB-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N[C@H]1CCc2ccccc21 ZINC000485356276 997780282 /nfs/dbraw/zinc/78/02/82/997780282.db2.gz KEZZSXJPKVQAJV-KRWDZBQOSA-N 0 2 414.512 3.753 20 0 HHADLN O=C(NCc1ccc(F)cc1F)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485376524 997803395 /nfs/dbraw/zinc/80/33/95/997803395.db2.gz PONLZGPFLUJSRP-UHFFFAOYSA-N 0 2 424.454 3.544 20 0 HHADLN Cn1ncc(Cl)c1S(=O)(=O)Nc1cccc(COCCc2ccccc2)c1 ZINC000485392975 997821254 /nfs/dbraw/zinc/82/12/54/997821254.db2.gz XXJDWXMAINRUBN-UHFFFAOYSA-N 0 2 405.907 3.634 20 0 HHADLN CC(=O)Nc1cc(NS(=O)(=O)c2cc(Br)c(F)cc2F)ccc1C ZINC000485428786 997866144 /nfs/dbraw/zinc/86/61/44/997866144.db2.gz OGUVUZVRBFVDSK-UHFFFAOYSA-N 0 2 419.247 3.795 20 0 HHADLN CCCNC(=O)c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000485439423 997880401 /nfs/dbraw/zinc/88/04/01/997880401.db2.gz NPNXVOLCZMCCTQ-UHFFFAOYSA-N 0 2 404.385 3.785 20 0 HHADLN O=C(Cc1cccc2cccnc21)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485486605 997938883 /nfs/dbraw/zinc/93/88/83/997938883.db2.gz DPBMZCCNHGNCAQ-UHFFFAOYSA-N 0 2 424.507 3.673 20 0 HHADLN O=C(CCc1ccc(F)cc1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485489714 997942462 /nfs/dbraw/zinc/94/24/62/997942462.db2.gz KCJARWWFJDZDCV-UHFFFAOYSA-N 0 2 405.476 3.654 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccc(F)cc1Cl ZINC000485496048 997950416 /nfs/dbraw/zinc/95/04/16/997950416.db2.gz UFBNKHWUGNKLOW-UHFFFAOYSA-N 0 2 411.867 3.989 20 0 HHADLN Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000477370875 998057888 /nfs/dbraw/zinc/05/78/88/998057888.db2.gz CEXGGVHNQLSASO-UHFFFAOYSA-N 0 2 403.483 3.593 20 0 HHADLN CC(C)CCn1ncc(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1C(C)C ZINC000486082786 998530000 /nfs/dbraw/zinc/53/00/00/998530000.db2.gz YHEXCKWHYJPEFW-UHFFFAOYSA-N 0 2 406.552 3.555 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C(C)C)ccc1O ZINC000486087109 998534952 /nfs/dbraw/zinc/53/49/52/998534952.db2.gz OUVKAVULBNSHAZ-UHFFFAOYSA-N 0 2 408.524 3.517 20 0 HHADLN CC(=O)N1CCc2cc(S(=O)(=O)Nc3cnn(-c4ccccc4)c3C(C)C)ccc21 ZINC000486092740 998539861 /nfs/dbraw/zinc/53/98/61/998539861.db2.gz RXERCXXGJFLDIC-UHFFFAOYSA-N 0 2 424.526 3.706 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cc(-c3ccsc3)nn2C)cc1OCC ZINC000486565651 998829353 /nfs/dbraw/zinc/82/93/53/998829353.db2.gz SZYPDCJIBZTLCT-UHFFFAOYSA-N 0 2 407.517 3.747 20 0 HHADLN CN(C(=O)C1=NN(c2ccccc2)CC1=O)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000486567310 998830861 /nfs/dbraw/zinc/83/08/61/998830861.db2.gz QGQUOFMQVRJZFR-OAQYLSRUSA-N 0 2 419.872 3.883 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N(C)Cc3cn(C)nc3C(F)(F)F)=N2)c1 ZINC000486601540 998850825 /nfs/dbraw/zinc/85/08/25/998850825.db2.gz CSGLYTISLPNINE-UHFFFAOYSA-N 0 2 421.423 3.726 20 0 HHADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCO[C@H](c2cccc(F)c2)C1 ZINC000478287423 998866189 /nfs/dbraw/zinc/86/61/89/998866189.db2.gz WYMMHKHYIOPNOY-SFHVURJKSA-N 0 2 401.825 3.584 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000478317691 998883892 /nfs/dbraw/zinc/88/38/92/998883892.db2.gz VNNZCAZVCIHELU-CQSZACIVSA-N 0 2 400.385 3.560 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000478317688 998883913 /nfs/dbraw/zinc/88/39/13/998883913.db2.gz VNNZCAZVCIHELU-AWEZNQCLSA-N 0 2 400.385 3.560 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000486724051 998909410 /nfs/dbraw/zinc/90/94/10/998909410.db2.gz PEIMVSKCAZQYIZ-UHFFFAOYSA-N 0 2 419.503 3.614 20 0 HHADLN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1nc(-c2cccs2)ns1 ZINC000486747641 998920415 /nfs/dbraw/zinc/92/04/15/998920415.db2.gz MQSKOMHIGMXVNT-UHFFFAOYSA-N 0 2 405.448 3.817 20 0 HHADLN O=C(C1=NN(c2ccccc2)CC1=O)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000486763797 998929955 /nfs/dbraw/zinc/92/99/55/998929955.db2.gz BNFDTWMTSFXVRH-OAHLLOKOSA-N 0 2 408.527 3.933 20 0 HHADLN COc1cc(NS(=O)(=O)c2cnn(-c3cc(Cl)ccc3OC)c2)c(C)cc1C ZINC000478708873 999099422 /nfs/dbraw/zinc/09/94/22/999099422.db2.gz DCRBRDYRLXHMGP-UHFFFAOYSA-N 0 2 421.906 3.961 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(Cn2cnc3ccccc32)cc1 ZINC000479061702 999274674 /nfs/dbraw/zinc/27/46/74/999274674.db2.gz CEXSSHQVMQDUFT-UHFFFAOYSA-N 0 2 423.494 3.903 20 0 HHADLN O=S(=O)(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc2ncsc2c1 ZINC000479156502 999300451 /nfs/dbraw/zinc/30/04/51/999300451.db2.gz NICZTXRAVUGOFG-UHFFFAOYSA-N 0 2 407.480 3.807 20 0 HHADLN O=S(=O)(Nc1cc(C2CC2)nn1-c1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000479266912 999355790 /nfs/dbraw/zinc/35/57/90/999355790.db2.gz PHIZYMIWKKRURG-UHFFFAOYSA-N 0 2 419.510 3.795 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cn(C)nc3C(C)C)cc2c1C ZINC000479277033 999360753 /nfs/dbraw/zinc/36/07/53/999360753.db2.gz IGKXXJQCBPNKSX-UHFFFAOYSA-N 0 2 405.476 3.576 20 0 HHADLN C[C@@H]1CC(=Cc2ccco2)c2nc3ccccc3c(C(=O)NCc3n[nH]c(=O)[nH]3)c2C1 ZINC000479373989 999409979 /nfs/dbraw/zinc/40/99/79/999409979.db2.gz HFBMQWGCBZEYKC-MBFWDRTGSA-N 0 2 415.453 3.704 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cc(F)c(OC(C)C)c(F)c2)c(OC)c1 ZINC000488266260 999416486 /nfs/dbraw/zinc/41/64/86/999416486.db2.gz OPYDADVLMTYOJO-UHFFFAOYSA-N 0 2 417.430 3.579 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000479487185 999439244 /nfs/dbraw/zinc/43/92/44/999439244.db2.gz FRWNZSFHQABONI-UHFFFAOYSA-N 0 2 418.515 3.567 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000479496474 999444334 /nfs/dbraw/zinc/44/43/34/999444334.db2.gz IZWCYAAFNLAEPV-UHFFFAOYSA-N 0 2 423.556 3.917 20 0 HHADLN O=S(=O)(Nc1cnn(CC(F)F)c1)c1ccc2cc(Br)ccc2c1 ZINC000479498462 999445449 /nfs/dbraw/zinc/44/54/49/999445449.db2.gz CSOZGLDVXPBMRY-UHFFFAOYSA-N 0 2 416.247 3.865 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2ccccc2C(=O)c2ccccc2)cc1F ZINC000479498434 999445463 /nfs/dbraw/zinc/44/54/63/999445463.db2.gz FYWRZFWSRTWCBB-UHFFFAOYSA-N 0 2 413.426 3.644 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1Br ZINC000488335772 999446108 /nfs/dbraw/zinc/44/61/08/999446108.db2.gz QJSUCNQKXXCIEP-UHFFFAOYSA-N 0 2 422.304 3.834 20 0 HHADLN O=S(=O)(Nc1ccc2nc(C3CC3)sc2c1)c1cnn(CC(F)(F)F)c1 ZINC000479521670 999458443 /nfs/dbraw/zinc/45/84/43/999458443.db2.gz IBQLAOQEHVBZEN-UHFFFAOYSA-N 0 2 402.423 3.733 20 0 HHADLN CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1ccc(Br)cc1F ZINC000479527541 999461846 /nfs/dbraw/zinc/46/18/46/999461846.db2.gz YVMGTMWEIFAMFN-UHFFFAOYSA-N 0 2 401.257 3.656 20 0 HHADLN O=S(=O)(Nc1cc(Cl)cc(C(F)(F)F)c1)c1cnn(CC(F)(F)F)c1 ZINC000479551017 999473238 /nfs/dbraw/zinc/47/32/38/999473238.db2.gz CAASPNMQWIPLJO-UHFFFAOYSA-N 0 2 407.723 3.918 20 0 HHADLN O=S(=O)(Nc1ccc2nnc(C3CCC3)n2c1)c1ccccc1OC(F)(F)F ZINC000488401895 999476122 /nfs/dbraw/zinc/47/61/22/999476122.db2.gz YFGNCSVXBICMGE-UHFFFAOYSA-N 0 2 412.393 3.696 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)c1C ZINC000479563180 999479067 /nfs/dbraw/zinc/47/90/67/999479067.db2.gz ARHBQXHWRQOPPU-UHFFFAOYSA-N 0 2 413.425 3.525 20 0 HHADLN O=C(Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1ccc(C2CCC2)cc1 ZINC000479628300 999508281 /nfs/dbraw/zinc/50/82/81/999508281.db2.gz JBGNFYJMKNDMQS-UHFFFAOYSA-N 0 2 414.512 3.859 20 0 HHADLN O=S(=O)(Nc1ncc(Cc2cccc(Cl)c2)s1)c1cnn(CC(F)F)c1 ZINC000488650497 999558785 /nfs/dbraw/zinc/55/87/85/999558785.db2.gz VPNAMXQWAIGAHU-UHFFFAOYSA-N 0 2 418.878 3.650 20 0 HHADLN CC1(C)CN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)CC[C@@H]1C(F)(F)F ZINC000479757432 999575236 /nfs/dbraw/zinc/57/52/36/999575236.db2.gz REVNECWCIQKZFN-AWEZNQCLSA-N 0 2 411.428 3.504 20 0 HHADLN CC(C)(C)n1ncc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c1-c1ccccc1 ZINC000488834634 999622667 /nfs/dbraw/zinc/62/26/67/999622667.db2.gz XTMDPZRYJKHCRP-UHFFFAOYSA-N 0 2 404.499 3.893 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)ccc1Br ZINC000479959779 999664132 /nfs/dbraw/zinc/66/41/32/999664132.db2.gz GTHVTBZILUWFBE-UHFFFAOYSA-N 0 2 416.244 3.515 20 0 HHADLN Cc1ccnc(-n2nccc2NS(=O)(=O)c2c(C)cc(Br)cc2C)c1 ZINC000479977960 999671308 /nfs/dbraw/zinc/67/13/08/999671308.db2.gz VKVFSVPXODZOTE-UHFFFAOYSA-N 0 2 421.320 3.756 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cnnn1-c1c(Cl)cccc1Cl ZINC000479991967 999677542 /nfs/dbraw/zinc/67/75/42/999677542.db2.gz ULKULQZVXGLZLZ-UHFFFAOYSA-N 0 2 423.310 3.828 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)c(Br)c1 ZINC000480009858 999684527 /nfs/dbraw/zinc/68/45/27/999684527.db2.gz YWJBICBLNOWOGD-UHFFFAOYSA-N 0 2 416.244 3.515 20 0 HHADLN CCOC(=O)c1ccsc1NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000480153736 999732053 /nfs/dbraw/zinc/73/20/53/999732053.db2.gz PBIVAKOKGQHOLF-UHFFFAOYSA-N 0 2 409.407 3.667 20 0 HHADLN O=S(=O)(Nc1noc(COc2ccc(F)cc2)n1)c1ccc(Cl)c(Cl)c1 ZINC000480181333 999738142 /nfs/dbraw/zinc/73/81/42/999738142.db2.gz RVHHQTRTWJAWGP-UHFFFAOYSA-N 0 2 418.233 3.895 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)cnn1C(CC)CC ZINC000480196372 999741916 /nfs/dbraw/zinc/74/19/16/999741916.db2.gz DVQLLHZVLYPVLW-UHFFFAOYSA-N 0 2 404.536 3.516 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cnn1-c1ccccc1Cl ZINC000480230042 999751398 /nfs/dbraw/zinc/75/13/98/999751398.db2.gz UIGKVWHDMFIICQ-UHFFFAOYSA-N 0 2 418.906 3.847 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(C(=O)OC)c(C)c2)cnn1-c1ccccc1C ZINC000480235392 999752825 /nfs/dbraw/zinc/75/28/25/999752825.db2.gz XEXFNUQYNYZREF-UHFFFAOYSA-N 0 2 413.499 3.639 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)OCCO3)cnn1-c1ccc(Cl)cc1 ZINC000480243245 999754696 /nfs/dbraw/zinc/75/46/96/999754696.db2.gz SCSHMWDPKATNBR-UHFFFAOYSA-N 0 2 419.890 3.660 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1C(C)C ZINC000480242647 999754726 /nfs/dbraw/zinc/75/47/26/999754726.db2.gz BPYCRSNQLMFZSS-UHFFFAOYSA-N 0 2 404.536 3.734 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cnn1C(CC)CC ZINC000480257299 999757864 /nfs/dbraw/zinc/75/78/64/999757864.db2.gz ZQSGKYVCVHAMKL-UHFFFAOYSA-N 0 2 404.536 3.516 20 0 HHADLN COCn1nccc1S(=O)(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 ZINC000480534667 999820593 /nfs/dbraw/zinc/82/05/93/999820593.db2.gz DQVWGCYDGDRXKF-UHFFFAOYSA-N 0 2 416.547 3.669 20 0 HHADLN O=c1nc(CSc2ncnc3c2cnn3Cc2ccccc2)[nH]c2ccsc21 ZINC000489792946 999839254 /nfs/dbraw/zinc/83/92/54/999839254.db2.gz BJHBHRIZIGQOPA-UHFFFAOYSA-N 0 2 406.496 3.877 20 0 HHADLN C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1cccc(Cl)c1 ZINC000490091115 999891891 /nfs/dbraw/zinc/89/18/91/999891891.db2.gz SQDNLYMVCHZCGS-NSHDSACASA-N 0 2 422.919 3.735 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CC(=O)N(C)C4CCCCC4)nc(=O)c3s2)cc1 ZINC000490099829 999892979 /nfs/dbraw/zinc/89/29/79/999892979.db2.gz HFIDYVPNWJPAES-UHFFFAOYSA-N 0 2 411.527 3.994 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC(C)(C)c2ccccc2F)c(F)c1Cl ZINC000490476600 999963508 /nfs/dbraw/zinc/96/35/08/999963508.db2.gz JPBHZHRCDIWGAF-UHFFFAOYSA-N 0 2 420.840 3.929 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cnn1CCC(C)C ZINC000491573232 1000084860 /nfs/dbraw/zinc/08/48/60/1000084860.db2.gz RDKSLRLSNYJFAZ-UHFFFAOYSA-N 0 2 404.536 3.567 20 0 HHADLN O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc4nc(-c5ccccc5)[nH]c4c3)cc2o1 ZINC000491600951 1000088397 /nfs/dbraw/zinc/08/83/97/1000088397.db2.gz HJRYIUKJTHLOSU-UHFFFAOYSA-N 0 2 406.423 3.878 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2cccc(N(C)C)c2)s1)c1ccccc1 ZINC000493050680 1000155554 /nfs/dbraw/zinc/15/55/54/1000155554.db2.gz JUTCOKGKXJYUCP-KRWDZBQOSA-N 0 2 402.545 3.947 20 0 HHADLN CN(C)c1nnc(-c2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cc2)o1 ZINC000504496492 1000234331 /nfs/dbraw/zinc/23/43/31/1000234331.db2.gz MXOOTNOKKYOITM-UHFFFAOYSA-N 0 2 419.315 3.972 20 0 HHADLN CC(C)c1cccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)NC(C)(C)C)c1 ZINC000494440342 1000492957 /nfs/dbraw/zinc/49/29/57/1000492957.db2.gz PBCXZJZSQNBOTG-UHFFFAOYSA-N 0 2 410.561 3.688 20 0 HHADLN O=C(Cc1ccc(OCc2ccccn2)cc1)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000505593394 1000925599 /nfs/dbraw/zinc/92/55/99/1000925599.db2.gz KPDRJUKLSDZGPN-UHFFFAOYSA-N 0 2 421.407 3.905 20 0 HHADLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1cccc(-c2noc(C(F)(F)F)n2)c1 ZINC000497095205 1001268875 /nfs/dbraw/zinc/26/88/75/1001268875.db2.gz GFWDXJYZHXXJIH-UHFFFAOYSA-N 0 2 418.310 3.932 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CC[C@](F)(c4cc(C)cc(F)c4)C3)=N2)cc1 ZINC000506334953 1001362143 /nfs/dbraw/zinc/36/21/43/1001362143.db2.gz MKYHXQIQPVPEFU-JOCHJYFZSA-N 0 2 413.424 3.745 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCO[C@H](COc4ccccc4)C3)=N2)c1 ZINC000506358660 1001375952 /nfs/dbraw/zinc/37/59/52/1001375952.db2.gz YUXBQWMWDFGCEB-NRFANRHFSA-N 0 2 421.497 3.621 20 0 HHADLN CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc3ccccc32)c1OC ZINC000506584538 1001464485 /nfs/dbraw/zinc/46/44/85/1001464485.db2.gz QPPRQEKDDJRYCR-UHFFFAOYSA-N 0 2 404.875 3.662 20 0 HHADLN O=S(=O)(Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccoc1 ZINC000506585392 1001464512 /nfs/dbraw/zinc/46/45/12/1001464512.db2.gz XUEDVMWCBNYMGK-UHFFFAOYSA-N 0 2 412.876 3.535 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)c1 ZINC000506617769 1001472725 /nfs/dbraw/zinc/47/27/25/1001472725.db2.gz KJEIANYQAOWJLR-UHFFFAOYSA-N 0 2 421.563 3.842 20 0 HHADLN COC(=O)[C@H](CS(=O)(=O)Nc1cccc(Cl)c1OC(C)C)c1ccccc1 ZINC000506634927 1001478226 /nfs/dbraw/zinc/47/82/26/1001478226.db2.gz VFABDNJZEFBWSE-OAHLLOKOSA-N 0 2 411.907 3.826 20 0 HHADLN O=C(NCc1ccccc1F)c1cc(NS(=O)(=O)c2ccoc2)ccc1Cl ZINC000506687672 1001494285 /nfs/dbraw/zinc/49/42/85/1001494285.db2.gz MTHZXDJCGVJHDT-UHFFFAOYSA-N 0 2 408.838 3.803 20 0 HHADLN CC[C@H](CC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccccc1 ZINC000497780862 1001512455 /nfs/dbraw/zinc/51/24/55/1001512455.db2.gz BUEMLTSVVYRDDY-CQSZACIVSA-N 0 2 416.528 3.861 20 0 HHADLN C[C@H](CC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1cccc(F)c1 ZINC000497788538 1001514091 /nfs/dbraw/zinc/51/40/91/1001514091.db2.gz SWUCVYIMMSQREW-GFCCVEGCSA-N 0 2 420.491 3.610 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc3c(ccc(F)c3C)s2)c1 ZINC000506830811 1001554487 /nfs/dbraw/zinc/55/44/87/1001554487.db2.gz RIBOOECOAXCKDM-UHFFFAOYSA-N 0 2 408.476 3.650 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc3ccc(OCC)cc3s2)c1 ZINC000506848862 1001563440 /nfs/dbraw/zinc/56/34/40/1001563440.db2.gz NVLRLTXSFWWQRH-UHFFFAOYSA-N 0 2 420.512 3.601 20 0 HHADLN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000498377823 1001808347 /nfs/dbraw/zinc/80/83/47/1001808347.db2.gz OCCOHAGCUCGEOS-CQSZACIVSA-N 0 2 406.939 3.646 20 0 HHADLN O=S(=O)(Nc1nc2c(ccc3c2CCCC3)s1)c1ccc2c(c1)OCCO2 ZINC000507298677 1001981913 /nfs/dbraw/zinc/98/19/13/1001981913.db2.gz AHUXXQOZEDKGQP-UHFFFAOYSA-N 0 2 402.497 3.747 20 0 HHADLN CN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc3c(ccc4c3CCCC4)s2)c1 ZINC000507307122 1001986957 /nfs/dbraw/zinc/98/69/57/1001986957.db2.gz WMMNQAMBJFYPPL-UHFFFAOYSA-N 0 2 415.540 3.678 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ncc(Cc2ccc(Cl)cc2C)s1 ZINC000507310786 1001990232 /nfs/dbraw/zinc/99/02/32/1001990232.db2.gz JYNSTYXTPBNGMG-UHFFFAOYSA-N 0 2 410.952 3.847 20 0 HHADLN CC(=O)NCc1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1 ZINC000498606512 1002010341 /nfs/dbraw/zinc/01/03/41/1002010341.db2.gz MBMJBMJZUDLBIJ-UHFFFAOYSA-N 0 2 413.275 3.728 20 0 HHADLN Cn1cc(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c(-c2cccs2)n1 ZINC000507385793 1002040511 /nfs/dbraw/zinc/04/05/11/1002040511.db2.gz LLMMLKNFUWVYRT-UHFFFAOYSA-N 0 2 401.904 3.995 20 0 HHADLN O=C(NCc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1 ZINC000507469342 1002090088 /nfs/dbraw/zinc/09/00/88/1002090088.db2.gz JPQARFPBABYUDL-UHFFFAOYSA-N 0 2 420.412 3.835 20 0 HHADLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CC(C)(C)O2 ZINC000507560935 1002166177 /nfs/dbraw/zinc/16/61/77/1002166177.db2.gz AHKLVPPDVCKVAA-UHFFFAOYSA-N 0 2 423.874 3.671 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc(F)cc1OC1CCOCC1 ZINC000507579769 1002185112 /nfs/dbraw/zinc/18/51/12/1002185112.db2.gz MRAFWAFVCNPVSX-UHFFFAOYSA-N 0 2 409.479 3.810 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2OC2CCOCC2)c1 ZINC000507586686 1002192115 /nfs/dbraw/zinc/19/21/15/1002192115.db2.gz VAOUXFXJAWWLBT-UHFFFAOYSA-N 0 2 415.870 3.846 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(F)cc2OC2CCOCC2)c2ccccc2n1C ZINC000507603040 1002209985 /nfs/dbraw/zinc/20/99/85/1002209985.db2.gz QWWRADGEYSKWHT-UHFFFAOYSA-N 0 2 418.490 3.984 20 0 HHADLN COC(=O)[C@H](CS(=O)(=O)Nc1sc(-c2ccccc2)nc1C)c1ccccc1 ZINC000507948529 1002481941 /nfs/dbraw/zinc/48/19/41/1002481941.db2.gz CUTDJJFBSCNSLC-QGZVFWFLSA-N 0 2 416.524 3.817 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(Cl)c(F)c1 ZINC000499131504 1002515955 /nfs/dbraw/zinc/51/59/55/1002515955.db2.gz DRWOUNBPVMKYMQ-UHFFFAOYSA-N 0 2 411.867 3.989 20 0 HHADLN COC(=O)C1(c2ccc(S(=O)(=O)Nc3ccc4c(Cl)cccc4n3)cc2)CC1 ZINC000508069011 1002591076 /nfs/dbraw/zinc/59/10/76/1002591076.db2.gz PHNZVIPNQBSGCY-UHFFFAOYSA-N 0 2 416.886 3.894 20 0 HHADLN COC(=O)c1c(C)csc1NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000508083421 1002604758 /nfs/dbraw/zinc/60/47/58/1002604758.db2.gz KGDLCDXOOHEKRM-UHFFFAOYSA-N 0 2 404.307 3.548 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)o2)c(F)c1 ZINC000508100902 1002625586 /nfs/dbraw/zinc/62/55/86/1002625586.db2.gz YXMXKEVZCDCGMQ-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)o2)cc1C ZINC000508102009 1002625974 /nfs/dbraw/zinc/62/59/74/1002625974.db2.gz KUBAOTAVOMSEQV-UHFFFAOYSA-N 0 2 408.277 3.917 20 0 HHADLN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1ccc(F)c(Br)c1 ZINC000508110008 1002636769 /nfs/dbraw/zinc/63/67/69/1002636769.db2.gz NQZLXJPIDLWROU-UHFFFAOYSA-N 0 2 421.313 3.740 20 0 HHADLN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1cc(F)ccc1Br ZINC000508121498 1002650169 /nfs/dbraw/zinc/65/01/69/1002650169.db2.gz XHHKZLUXIHLESW-UHFFFAOYSA-N 0 2 421.313 3.740 20 0 HHADLN Cc1c(NS(=O)(=O)c2cc(F)c(Br)cc2F)cnn1CC(C)C ZINC000499266063 1002670430 /nfs/dbraw/zinc/67/04/30/1002670430.db2.gz MBRSGONIVTUDLK-UHFFFAOYSA-N 0 2 408.268 3.689 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1Br ZINC000508189225 1002724723 /nfs/dbraw/zinc/72/47/23/1002724723.db2.gz CNBSLMUWLIMBON-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc(CC(C)(C)C)cs2)c1 ZINC000508218807 1002748917 /nfs/dbraw/zinc/74/89/17/1002748917.db2.gz ZWZAJVDYNHXTOO-UHFFFAOYSA-N 0 2 412.533 3.718 20 0 HHADLN CO[C@@H]1CCC[C@H](Oc2ccnc(NS(=O)(=O)c3csc4ccccc43)n2)C1 ZINC000508224979 1002753427 /nfs/dbraw/zinc/75/34/27/1002753427.db2.gz RRNSNRHOKWJCSC-KGLIPLIRSA-N 0 2 419.528 3.829 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2ncc(-c3ccccc3F)s2)c1 ZINC000508234956 1002761364 /nfs/dbraw/zinc/76/13/64/1002761364.db2.gz IZRIPMYIVYARBW-UHFFFAOYSA-N 0 2 420.487 3.856 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000508328926 1002831661 /nfs/dbraw/zinc/83/16/61/1002831661.db2.gz XGEFNUFCPAJIDR-UHFFFAOYSA-N 0 2 409.794 3.739 20 0 HHADLN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)C2=NN(c3ccc(OC)cc3)CC2=O)c1 ZINC000499631822 1002998690 /nfs/dbraw/zinc/99/86/90/1002998690.db2.gz OINJGTVYWYRSRS-HNNXBMFYSA-N 0 2 422.485 3.501 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NCc3cccc(NC(=O)CC(C)C)c3)=N2)cc1 ZINC000499702177 1003052063 /nfs/dbraw/zinc/05/20/63/1003052063.db2.gz ZPYNJCRMGVJYQT-UHFFFAOYSA-N 0 2 422.485 3.501 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(C)Cc3ccccc3OC(F)(F)F)=N2)cc1 ZINC000499750962 1003094233 /nfs/dbraw/zinc/09/42/33/1003094233.db2.gz QQUBMSWSUYJYKW-UHFFFAOYSA-N 0 2 421.375 3.757 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(Cc3ccccc3)CC3CCOCC3)=N2)cc1 ZINC000499840194 1003176715 /nfs/dbraw/zinc/17/67/15/1003176715.db2.gz BMIFKUCWILOZCQ-UHFFFAOYSA-N 0 2 421.497 3.656 20 0 HHADLN O=C(NCCCc1nc(-c2ccncc2)cs1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499843693 1003180164 /nfs/dbraw/zinc/18/01/64/1003180164.db2.gz JOEDHDSQGQOGND-UHFFFAOYSA-N 0 2 423.473 3.598 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NCCc3coc(-c4ccc(C)cc4)n3)=N2)cc1 ZINC000499879406 1003215264 /nfs/dbraw/zinc/21/52/64/1003215264.db2.gz SMHPBQFLSGNETJ-UHFFFAOYSA-N 0 2 418.453 3.522 20 0 HHADLN O=S(=O)(Nc1cnn(CC(F)(F)F)c1)c1c(Cl)cccc1Br ZINC000509088518 1003543696 /nfs/dbraw/zinc/54/36/96/1003543696.db2.gz COPKUUDVVMMDRI-UHFFFAOYSA-N 0 2 418.622 3.662 20 0 HHADLN CC(C)OC(=O)C[C@@H]1CCCN(C(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)C1 ZINC000500254332 1003584253 /nfs/dbraw/zinc/58/42/53/1003584253.db2.gz PVRCKALBSYTVLC-KRWDZBQOSA-N 0 2 413.518 3.895 20 0 HHADLN COc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3cc(C)ccc3F)c2)cn1 ZINC000500300012 1003608144 /nfs/dbraw/zinc/60/81/44/1003608144.db2.gz VNLYZFPTKISFLW-UHFFFAOYSA-N 0 2 415.446 3.591 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C)nc1C1CC1 ZINC000509216470 1003630453 /nfs/dbraw/zinc/63/04/53/1003630453.db2.gz GVLWAIZVJGYTQR-UHFFFAOYSA-N 0 2 420.434 3.935 20 0 HHADLN CC1CCN(Cc2csc(NS(=O)(=O)c3cnc4ccccc4c3)n2)CC1 ZINC000509218486 1003631978 /nfs/dbraw/zinc/63/19/78/1003631978.db2.gz PAURXRWJSZDPKN-UHFFFAOYSA-N 0 2 402.545 3.724 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc(C)nc2)sc1Cc1ccc(F)c(F)c1F ZINC000509242407 1003649180 /nfs/dbraw/zinc/64/91/80/1003649180.db2.gz WRWHGJLAUVCYPU-UHFFFAOYSA-N 0 2 413.446 3.964 20 0 HHADLN CCCOc1ccc2c(c1)CCN(C(=O)C1=NN(c3ccc(OC)cc3)CC1=O)C2 ZINC000500351985 1003651394 /nfs/dbraw/zinc/65/13/94/1003651394.db2.gz DKGKNEVFTSGXTA-UHFFFAOYSA-N 0 2 407.470 3.574 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](c3cccc(F)c3)c3ccccn3)=N2)cc1 ZINC000500427840 1003710267 /nfs/dbraw/zinc/71/02/67/1003710267.db2.gz SKYCJZDMBPBJDP-NRFANRHFSA-N 0 2 418.428 3.640 20 0 HHADLN COc1cncc(S(=O)(=O)Nc2nc(C)c(Cc3cccc(Cl)c3)s2)c1 ZINC000500460463 1003730378 /nfs/dbraw/zinc/73/03/78/1003730378.db2.gz JZTBRAGVSJDGQR-UHFFFAOYSA-N 0 2 409.920 3.900 20 0 HHADLN COc1cncc(S(=O)(=O)Nc2nc(C3CC3)c(Cc3ccccc3F)s2)c1 ZINC000500475189 1003737456 /nfs/dbraw/zinc/73/74/56/1003737456.db2.gz LIWWLEFNRGNYMQ-UHFFFAOYSA-N 0 2 419.503 3.955 20 0 HHADLN CN(C)c1ncccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000500477242 1003738648 /nfs/dbraw/zinc/73/86/48/1003738648.db2.gz SFEFIOCVGLLBJZ-UHFFFAOYSA-N 0 2 424.242 3.730 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)c(F)c1N1CCOCC1)c1ccc(F)c(F)c1F ZINC000509373672 1003801926 /nfs/dbraw/zinc/80/19/26/1003801926.db2.gz FCFBHXWIOLODSK-UHFFFAOYSA-N 0 2 424.803 3.534 20 0 HHADLN CCN(C(=O)c1cc(NS(=O)(=O)c2cccc3c2OCO3)ccc1Cl)C(C)C ZINC000509374581 1003802662 /nfs/dbraw/zinc/80/26/62/1003802662.db2.gz HSUUPTRXTQSTPK-UHFFFAOYSA-N 0 2 424.906 3.740 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1cc(-c2cncc(F)c2)ccc1C ZINC000509375436 1003803854 /nfs/dbraw/zinc/80/38/54/1003803854.db2.gz KXRQSEOOLOECAU-UHFFFAOYSA-N 0 2 406.460 3.845 20 0 HHADLN Cc1cc2c(cc1NS(=O)(=O)c1c(Cl)cccc1Br)OCO2 ZINC000509386431 1003814526 /nfs/dbraw/zinc/81/45/26/1003814526.db2.gz KQYAIVWQYWVHOL-UHFFFAOYSA-N 0 2 404.669 3.940 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2cc(-c3ccc(OC)nc3)ccc2C)c1C ZINC000509390622 1003819884 /nfs/dbraw/zinc/81/98/84/1003819884.db2.gz XRXGJMMQDMMSDG-UHFFFAOYSA-N 0 2 400.504 3.700 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)c(F)c1N1CCOCC1)c1cccc(Cl)c1F ZINC000509391151 1003820643 /nfs/dbraw/zinc/82/06/43/1003820643.db2.gz KDNZZHYSRBMIFA-UHFFFAOYSA-N 0 2 423.268 3.909 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2cc(-c3ccc(OC)nc3)ccc2C)c1 ZINC000509395509 1003825889 /nfs/dbraw/zinc/82/58/89/1003825889.db2.gz CIWRFJLIJMAPFP-UHFFFAOYSA-N 0 2 400.456 3.581 20 0 HHADLN CCN(C)C(=O)c1cccc(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c1 ZINC000511871149 1003850786 /nfs/dbraw/zinc/85/07/86/1003850786.db2.gz CFYXWVVKMAYCSU-UHFFFAOYSA-N 0 2 400.891 3.625 20 0 HHADLN O=S(=O)(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1cccc(F)c1F ZINC000509540623 1003933589 /nfs/dbraw/zinc/93/35/89/1003933589.db2.gz KGYZJUUJZVCSFP-UHFFFAOYSA-N 0 2 403.332 3.970 20 0 HHADLN O=C(Nc1ccccc1NS(=O)(=O)c1cccc2c1OCCO2)c1ccccc1 ZINC000509576133 1003955708 /nfs/dbraw/zinc/95/57/08/1003955708.db2.gz DHNSGBTYERCOLT-UHFFFAOYSA-N 0 2 410.451 3.511 20 0 HHADLN CSc1cc2c(cc1NS(=O)(=O)c1ccccc1OC(F)F)OCCO2 ZINC000509579703 1003958111 /nfs/dbraw/zinc/95/81/11/1003958111.db2.gz VZELQAOMFWXGQU-UHFFFAOYSA-N 0 2 403.428 3.582 20 0 HHADLN CC(=O)Nc1ccc(Br)cc1NS(=O)(=O)c1ccccc1Cl ZINC000509585347 1003961786 /nfs/dbraw/zinc/96/17/86/1003961786.db2.gz NRFAJMIIACAHHF-UHFFFAOYSA-N 0 2 403.685 3.862 20 0 HHADLN CSc1cc2c(cc1NS(=O)(=O)c1ccccc1OC(F)(F)F)OCCO2 ZINC000509596428 1003969412 /nfs/dbraw/zinc/96/94/12/1003969412.db2.gz QIWFCWWSWDRXGB-UHFFFAOYSA-N 0 2 421.418 3.879 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1NC(=O)c1ccncc1 ZINC000509606254 1003975561 /nfs/dbraw/zinc/97/55/61/1003975561.db2.gz YKNFIQWCNPSYAR-UHFFFAOYSA-N 0 2 403.410 3.721 20 0 HHADLN COC(=O)c1nccc2c1cccc2S(=O)(=O)Nc1ncc(C(C)(C)C)s1 ZINC000500842989 1003996392 /nfs/dbraw/zinc/99/63/92/1003996392.db2.gz MRJPOGRPCFJGMK-UHFFFAOYSA-N 0 2 405.501 3.576 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1Br ZINC000509643743 1004001810 /nfs/dbraw/zinc/00/18/10/1004001810.db2.gz RPGMSIJDEDSOPE-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)c(Cl)c1 ZINC000509646372 1004003138 /nfs/dbraw/zinc/00/31/38/1004003138.db2.gz KUFRIDCPEQBYRZ-UHFFFAOYSA-N 0 2 420.270 3.598 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(ccc(F)c3F)s2)cc1Cl ZINC000500867235 1004014313 /nfs/dbraw/zinc/01/43/13/1004014313.db2.gz MJKODECJXLRKMN-UHFFFAOYSA-N 0 2 417.846 3.987 20 0 HHADLN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000500919704 1004052429 /nfs/dbraw/zinc/05/24/29/1004052429.db2.gz AXWSQAUARJBDJG-ZDUSSCGKSA-N 0 2 413.478 3.618 20 0 HHADLN C[C@H]1C[C@@H](c2ccc(C(F)(F)F)cc2)N(C(=O)c2c[nH]c3c(cnn3C)c2=O)C1 ZINC000512143632 1004054552 /nfs/dbraw/zinc/05/45/52/1004054552.db2.gz BQQLSHMVVVGAPW-ZBEGNZNMSA-N 0 2 404.392 3.916 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)ns2)cc1Cl ZINC000512348712 1004236498 /nfs/dbraw/zinc/23/64/98/1004236498.db2.gz QBHAXJJZJCORRB-UHFFFAOYSA-N 0 2 416.311 3.743 20 0 HHADLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000510105185 1004327658 /nfs/dbraw/zinc/32/76/58/1004327658.db2.gz LTRCZTORGKKFPM-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN CC(=O)Nc1ccc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1 ZINC000512610052 1004423793 /nfs/dbraw/zinc/42/37/93/1004423793.db2.gz VHCWQIPMQAGLFF-UHFFFAOYSA-N 0 2 402.501 3.514 20 0 HHADLN COCCOc1ccccc1CNc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000512614059 1004427519 /nfs/dbraw/zinc/42/75/19/1004427519.db2.gz OGGWPXZVIVAFBW-UHFFFAOYSA-N 0 2 419.528 3.581 20 0 HHADLN Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510255203 1004428905 /nfs/dbraw/zinc/42/89/05/1004428905.db2.gz RGUCNHLOZSEXNH-LBPRGKRZSA-N 0 2 403.895 3.615 20 0 HHADLN O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510290909 1004455808 /nfs/dbraw/zinc/45/58/08/1004455808.db2.gz XOFVVJBHDUZBRB-NSHDSACASA-N 0 2 411.512 3.868 20 0 HHADLN O=S(=O)(Nc1nccs1)c1cccc(NCc2cnn(-c3ccccc3)c2)c1 ZINC000512658219 1004469456 /nfs/dbraw/zinc/46/94/56/1004469456.db2.gz PLXWEMYTKVZSFW-UHFFFAOYSA-N 0 2 411.512 3.742 20 0 HHADLN COc1ccc2c(c1)C[C@@H](Nc1cccc(S(=O)(=O)Nc3nccs3)c1)CC2 ZINC000512658150 1004469578 /nfs/dbraw/zinc/46/95/78/1004469578.db2.gz OIEYLVFOEACUSY-KRWDZBQOSA-N 0 2 415.540 3.922 20 0 HHADLN O=S(=O)(Nc1nccs1)c1cccc(NCc2cnc3ccc(Cl)cn23)c1 ZINC000512664173 1004475342 /nfs/dbraw/zinc/47/53/42/1004475342.db2.gz XKJAVIODISKDPL-UHFFFAOYSA-N 0 2 419.919 3.857 20 0 HHADLN Cn1cnnc1Sc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1Cl ZINC000501845940 1004772618 /nfs/dbraw/zinc/77/26/18/1004772618.db2.gz VOICMZWNUWQCNI-UHFFFAOYSA-N 0 2 416.862 3.699 20 0 HHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000501991670 1004850838 /nfs/dbraw/zinc/85/08/38/1004850838.db2.gz VFJLDJHPIAHMMQ-LBPRGKRZSA-N 0 2 421.327 3.552 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc2c(cccc2Br)[nH]1 ZINC000510995534 1004971784 /nfs/dbraw/zinc/97/17/84/1004971784.db2.gz FBBUUWOUAYAQSV-UHFFFAOYSA-N 0 2 417.288 3.913 20 0 HHADLN Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000511134072 1005037390 /nfs/dbraw/zinc/03/73/90/1005037390.db2.gz HCEDZDXECLWIHV-KRWDZBQOSA-N 0 2 424.526 3.539 20 0 HHADLN Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)[nH]n1 ZINC000513588375 1005038260 /nfs/dbraw/zinc/03/82/60/1005038260.db2.gz KYUWFKBHLHPSKE-UHFFFAOYSA-N 0 2 420.395 3.570 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1cccc2ncccc21 ZINC000502470310 1005085595 /nfs/dbraw/zinc/08/55/95/1005085595.db2.gz BWIXCQLTEUXIRX-UHFFFAOYSA-N 0 2 411.252 3.946 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2ccc(SCc3ccccc3)cn2)c1 ZINC000513788107 1005127493 /nfs/dbraw/zinc/12/74/93/1005127493.db2.gz LDEPVWBFNSAGNM-UHFFFAOYSA-N 0 2 414.508 3.961 20 0 HHADLN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1cc(F)ccc1OCC(F)(F)F ZINC000513812235 1005138547 /nfs/dbraw/zinc/13/85/47/1005138547.db2.gz HHTHDMHQEGWPCN-UHFFFAOYSA-N 0 2 421.368 3.663 20 0 HHADLN O=C(Cc1ccc(Cl)s1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000513833911 1005151537 /nfs/dbraw/zinc/15/15/37/1005151537.db2.gz LBOFNDBZVIKGJC-UHFFFAOYSA-N 0 2 413.933 3.840 20 0 HHADLN COCc1ccccc1NS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000502777003 1005213188 /nfs/dbraw/zinc/21/31/88/1005213188.db2.gz KIIYJEUWOWAJGP-UHFFFAOYSA-N 0 2 404.257 3.544 20 0 HHADLN O=C(N[C@H](c1cccc2ccccc21)C(F)(F)F)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000511777320 1005321309 /nfs/dbraw/zinc/32/13/09/1005321309.db2.gz SAMBAZOFHXIRQO-OAHLLOKOSA-N 0 2 414.343 3.623 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)=N2)c1 ZINC000511798753 1005334031 /nfs/dbraw/zinc/33/40/31/1005334031.db2.gz YDAFASMMVSOFMH-MOPGFXCFSA-N 0 2 424.545 3.612 20 0 HHADLN COc1ncc(C)cc1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000504229629 1005578238 /nfs/dbraw/zinc/57/82/38/1005578238.db2.gz HTHFRKBJKQMDPJ-UHFFFAOYSA-N 0 2 409.664 3.754 20 0 HHADLN COCCOc1ccc(S(=O)(=O)Nc2cc(-c3ccc(C)s3)[nH]n2)cc1C ZINC000531257787 1006076236 /nfs/dbraw/zinc/07/62/36/1006076236.db2.gz DYFNBZBEDZFKMK-UHFFFAOYSA-N 0 2 407.517 3.581 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(C(F)F)cc2)nc1C(C)(C)C ZINC000514687967 1006080934 /nfs/dbraw/zinc/08/09/34/1006080934.db2.gz APBSMVVBGNVWNN-UHFFFAOYSA-N 0 2 404.460 3.966 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cnn(-c2ccccc2Cl)c1 ZINC000531355602 1006146588 /nfs/dbraw/zinc/14/65/88/1006146588.db2.gz KWWHYTIAIDSMJP-UHFFFAOYSA-N 0 2 400.776 3.841 20 0 HHADLN Cc1ccc2cccc(S(=O)(=O)Nc3ccccc3NC(=O)N3CCCC3)c2n1 ZINC000531486511 1006224669 /nfs/dbraw/zinc/22/46/69/1006224669.db2.gz SDWJLLCVTATRPF-UHFFFAOYSA-N 0 2 410.499 3.972 20 0 HHADLN Cc1cnc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)s1 ZINC000534243272 1006250580 /nfs/dbraw/zinc/25/05/80/1006250580.db2.gz PVQPOASYAICLJU-UHFFFAOYSA-N 0 2 417.228 3.913 20 0 HHADLN COCCOc1ccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cc1 ZINC000534497172 1006495567 /nfs/dbraw/zinc/49/55/67/1006495567.db2.gz MMAZHUBURPVKEE-UHFFFAOYSA-N 0 2 422.247 3.553 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cccc3c2CN(c2ccccn2)C3)c(F)cc1F ZINC000534499284 1006498079 /nfs/dbraw/zinc/49/80/79/1006498079.db2.gz JRKCEGILSOYWNA-UHFFFAOYSA-N 0 2 401.438 3.989 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)c1 ZINC000515610636 1006558735 /nfs/dbraw/zinc/55/87/35/1006558735.db2.gz CLWWSBWRRVPLKD-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccc2F)c1)c1ccc(Br)c(F)c1 ZINC000532037145 1006592342 /nfs/dbraw/zinc/59/23/42/1006592342.db2.gz BNNWQDNBWGCERW-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN O=C1COc2cc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)ccc2N1 ZINC000515695844 1006594277 /nfs/dbraw/zinc/59/42/77/1006594277.db2.gz NDFBDSHLISMYCZ-UHFFFAOYSA-N 0 2 407.662 3.779 20 0 HHADLN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)cc1 ZINC000534671525 1006649230 /nfs/dbraw/zinc/64/92/30/1006649230.db2.gz ZIYKHQYFXPGFMK-UHFFFAOYSA-N 0 2 422.457 3.783 20 0 HHADLN O=S(=O)(Cc1ccccc1Cl)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000534743118 1006733986 /nfs/dbraw/zinc/73/39/86/1006733986.db2.gz STZOFSLOHYIMDM-QGZVFWFLSA-N 0 2 402.907 3.792 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCC([C@H](O)C(F)(F)F)CC1 ZINC000532266304 1006757326 /nfs/dbraw/zinc/75/73/26/1006757326.db2.gz GHPZLNHPVKPORZ-LBPRGKRZSA-N 0 2 416.621 3.584 20 0 HHADLN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1csc(NC2CC2)n1 ZINC000532274869 1006763007 /nfs/dbraw/zinc/76/30/07/1006763007.db2.gz XWSHHFJPTXCAJE-UHFFFAOYSA-N 0 2 405.281 3.517 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccc2F)c1)c1ccc(F)c(Br)c1 ZINC000532291326 1006775307 /nfs/dbraw/zinc/77/53/07/1006775307.db2.gz KIEGLMYCKZPNKQ-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN COc1cccc(N2CCN(C(=O)C3=NN(c4ccc(C(C)C)cc4)CC3=O)CC2)c1 ZINC000532344690 1006804938 /nfs/dbraw/zinc/80/49/38/1006804938.db2.gz MNZOFUHJALYVNT-UHFFFAOYSA-N 0 2 420.513 3.672 20 0 HHADLN CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)c1 ZINC000538830528 1007102542 /nfs/dbraw/zinc/10/25/42/1007102542.db2.gz AZBQQTXYYXDHQT-UHFFFAOYSA-N 0 2 417.314 3.982 20 0 HHADLN CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3O)ccc21 ZINC000538831087 1007104348 /nfs/dbraw/zinc/10/43/48/1007104348.db2.gz GGDOJYGADBRCDJ-UHFFFAOYSA-N 0 2 415.298 3.664 20 0 HHADLN CC(C)(C)Oc1cccc(CS(=O)(=O)c2n[nH]c(-c3ccc(Cl)cc3)n2)n1 ZINC000517009861 1007372564 /nfs/dbraw/zinc/37/25/64/1007372564.db2.gz QYPABZCXRADECI-UHFFFAOYSA-N 0 2 406.895 3.671 20 0 HHADLN COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000535325074 1007377206 /nfs/dbraw/zinc/37/72/06/1007377206.db2.gz IYQGDSWMSUNEMT-UHFFFAOYSA-N 0 2 410.801 3.580 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc3c(cccc3C(F)(F)F)s2)c(C)o1 ZINC000533176940 1007519194 /nfs/dbraw/zinc/51/91/94/1007519194.db2.gz IYVWSPGAUSSYFZ-UHFFFAOYSA-N 0 2 420.390 3.804 20 0 HHADLN COc1cccc(-c2nnc(SCc3n[nH]c(=O)[nH]3)n2-c2ccc(Cl)cc2)c1 ZINC000539249973 1007542476 /nfs/dbraw/zinc/54/24/76/1007542476.db2.gz YOLSQIHKRJQMEY-UHFFFAOYSA-N 0 2 414.878 3.712 20 0 HHADLN O=c1nc(CN2CCN(Cc3ccco3)CC2)[nH]c2cc(-c3ccc(F)cc3)sc21 ZINC000533227423 1007549404 /nfs/dbraw/zinc/54/94/04/1007549404.db2.gz OKAGKZNBLLBMPW-UHFFFAOYSA-N 0 2 424.501 3.702 20 0 HHADLN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)cc1 ZINC000533229549 1007551586 /nfs/dbraw/zinc/55/15/86/1007551586.db2.gz XVUPRYIOZFLYII-UHFFFAOYSA-N 0 2 416.503 3.569 20 0 HHADLN Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3cc4c(cc3Cl)OCCO4)c2C)o1 ZINC000533229623 1007551718 /nfs/dbraw/zinc/55/17/18/1007551718.db2.gz ZWWWPDVRYGUPPY-UHFFFAOYSA-N 0 2 409.851 3.512 20 0 HHADLN Cc1csc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)n1 ZINC000535690592 1007723819 /nfs/dbraw/zinc/72/38/19/1007723819.db2.gz SWSDVBNHPIUXAT-UHFFFAOYSA-N 0 2 417.228 3.913 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)=N1 ZINC000539445585 1007756996 /nfs/dbraw/zinc/75/69/96/1007756996.db2.gz BRMFIJXVICFFRS-OXJNMPFZSA-N 0 2 417.387 3.564 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(F)c(F)cc1F ZINC000533465804 1007776588 /nfs/dbraw/zinc/77/65/88/1007776588.db2.gz ZPADBOYXHKKLNQ-UHFFFAOYSA-N 0 2 413.402 3.614 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCO[C@@H](Cc4ccccc4)C3)=N2)cc1 ZINC000539583083 1007900450 /nfs/dbraw/zinc/90/04/50/1007900450.db2.gz QECNBQKVGGBTGT-NRFANRHFSA-N 0 2 405.498 3.785 20 0 HHADLN CC1CCN(Cc2csc(NS(=O)(=O)c3cc(F)cc(Cl)c3)n2)CC1 ZINC000535892073 1007912336 /nfs/dbraw/zinc/91/23/36/1007912336.db2.gz OBANTABRVKJEHP-UHFFFAOYSA-N 0 2 403.932 3.968 20 0 HHADLN CSc1ccccc1CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000539593578 1007914292 /nfs/dbraw/zinc/91/42/92/1007914292.db2.gz VRCJFGSVITZJDM-UHFFFAOYSA-N 0 2 419.553 3.847 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@H]2Cn2cnc3ccccc32)=N1 ZINC000533751845 1008077752 /nfs/dbraw/zinc/07/77/52/1008077752.db2.gz QOKYYPKXLOCFCQ-KRWDZBQOSA-N 0 2 419.460 3.680 20 0 HHADLN C[C@H]1Cc2cc(S(=O)(=O)Nc3cc(C(C)(C)C)nn3-c3ccccn3)ccc2O1 ZINC000518006491 1008098907 /nfs/dbraw/zinc/09/89/07/1008098907.db2.gz FFMVBZXWFWOTKW-AWEZNQCLSA-N 0 2 412.515 3.689 20 0 HHADLN COC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccc(OC)c2ncccc12 ZINC000539802964 1008105520 /nfs/dbraw/zinc/10/55/20/1008105520.db2.gz IBADTKXGBAQHCW-UHFFFAOYSA-N 0 2 406.485 3.509 20 0 HHADLN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)c1cccc(Br)c1O ZINC000539841457 1008132596 /nfs/dbraw/zinc/13/25/96/1008132596.db2.gz OCGYPFCXWYJLQD-UHFFFAOYSA-N 0 2 403.276 3.951 20 0 HHADLN O=C(CNC(=O)c1cccc(Br)c1)Nc1cc(Cl)cc(Cl)c1O ZINC000539930085 1008189883 /nfs/dbraw/zinc/18/98/83/1008189883.db2.gz HDHPKOXYVCOULZ-UHFFFAOYSA-N 0 2 418.074 3.830 20 0 HHADLN Cc1ccccc1-n1nc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)c2c1CCC2 ZINC000518281717 1008237705 /nfs/dbraw/zinc/23/77/05/1008237705.db2.gz CSHIPRZYDQKUAM-UHFFFAOYSA-N 0 2 407.524 3.924 20 0 HHADLN Cc1nc(-c2ncccn2)sc1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000518367430 1008277746 /nfs/dbraw/zinc/27/77/46/1008277746.db2.gz JMJLNEFGXNXACX-UHFFFAOYSA-N 0 2 414.903 3.755 20 0 HHADLN CC(C)Oc1ccc(S(=O)(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1 ZINC000540202164 1008334206 /nfs/dbraw/zinc/33/42/06/1008334206.db2.gz OMTUPQXICHPPAT-HNNXBMFYSA-N 0 2 409.577 3.963 20 0 HHADLN CCOC(=O)c1ccc(-n2cc[nH+]c2)c([N-]S(=O)(=O)c2cc(C)c(C)s2)c1 ZINC000540207955 1008336199 /nfs/dbraw/zinc/33/61/99/1008336199.db2.gz IDOLOAFXAAOJKD-UHFFFAOYSA-N 0 2 405.501 3.528 20 0 HHADLN O=S(=O)(Nc1cnccc1-n1cccn1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000518588143 1008357549 /nfs/dbraw/zinc/35/75/49/1008357549.db2.gz XWRYDCBBYWBFRZ-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN Cc1ccc(Oc2ccccc2NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)cc1 ZINC000540338601 1008387374 /nfs/dbraw/zinc/38/73/74/1008387374.db2.gz SBOKJZASZPSNGM-UHFFFAOYSA-N 0 2 413.499 3.628 20 0 HHADLN Cc1sc2nc(SCc3n[nH]c(=O)[nH]3)n(-c3ccc(Cl)cc3)c(=O)c2c1C ZINC000540345950 1008390747 /nfs/dbraw/zinc/39/07/47/1008390747.db2.gz DBOUDYZYCCZOCR-UHFFFAOYSA-N 0 2 419.919 3.833 20 0 HHADLN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000518789675 1008421187 /nfs/dbraw/zinc/42/11/87/1008421187.db2.gz RKXYRJOXJASSQZ-UHFFFAOYSA-N 0 2 424.457 3.993 20 0 HHADLN O=c1[nH]nc(CSc2nc3cc(Cl)ccc3c(=O)n2-c2cccc(Cl)c2)[nH]1 ZINC000518809470 1008427436 /nfs/dbraw/zinc/42/74/36/1008427436.db2.gz WSSXQTAGYXMHHY-UHFFFAOYSA-N 0 2 420.281 3.809 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(-c3ccccc3F)no2)cc1 ZINC000545590549 1008689209 /nfs/dbraw/zinc/68/92/09/1008689209.db2.gz PJUCFSHANRPAFQ-UHFFFAOYSA-N 0 2 402.432 3.800 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1nc2cc(F)c(F)cc2s1 ZINC000543146611 1008719769 /nfs/dbraw/zinc/71/97/69/1008719769.db2.gz KQCQIXALMATBSQ-UHFFFAOYSA-N 0 2 400.476 3.845 20 0 HHADLN Cn1ccnc1COc1ccc(NC(=O)c2cccc(Br)c2O)cc1 ZINC000519311944 1008722584 /nfs/dbraw/zinc/72/25/84/1008722584.db2.gz QKSRCSQWQVOAFV-UHFFFAOYSA-N 0 2 402.248 3.720 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C ZINC000543163000 1008737420 /nfs/dbraw/zinc/73/74/20/1008737420.db2.gz UJYUUWVDMMMIQW-UHFFFAOYSA-N 0 2 419.484 3.571 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(COC)cc2)cnn1-c1cccc(F)c1 ZINC000543165186 1008740138 /nfs/dbraw/zinc/74/01/38/1008740138.db2.gz SZTCQGZIUCOEGC-UHFFFAOYSA-N 0 2 403.479 3.911 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1ccnc(SC)c1 ZINC000519372591 1008769788 /nfs/dbraw/zinc/76/97/88/1008769788.db2.gz FELPDJOPEACKFQ-SFHVURJKSA-N 0 2 410.543 3.656 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2ccc3c(c2)C(=O)CCC3)o1)c1ccccc1 ZINC000519491372 1008863203 /nfs/dbraw/zinc/86/32/03/1008863203.db2.gz PRBVWLFSPUEQPC-KRWDZBQOSA-N 0 2 411.483 3.931 20 0 HHADLN CC(C)(C)c1cc(NS(=O)(=O)c2ccc3c(c2)C(=O)CCC3)n(-c2ccccn2)n1 ZINC000519849923 1009031804 /nfs/dbraw/zinc/03/18/04/1009031804.db2.gz KRSOOLSSCWCKGD-UHFFFAOYSA-N 0 2 424.526 3.885 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)c1 ZINC000546180553 1009210693 /nfs/dbraw/zinc/21/06/93/1009210693.db2.gz GOUXQQBKUFTOFC-UHFFFAOYSA-N 0 2 412.092 3.960 20 0 HHADLN COc1ccc(C(=O)C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc1Cl ZINC000546184505 1009214258 /nfs/dbraw/zinc/21/42/58/1009214258.db2.gz NPFULEIHJGLVAQ-UHFFFAOYSA-N 0 2 408.266 3.764 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](C)COc3ccc(F)cc3F)s[nH]2)c1 ZINC000543616605 1009221437 /nfs/dbraw/zinc/22/14/37/1009221437.db2.gz LKPJHVGIJQVCIQ-LLVKDONJSA-N 0 2 420.441 3.503 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C)[C@@H](C)Cc3ccccc3OC)s[nH]2)c1 ZINC000543617050 1009222635 /nfs/dbraw/zinc/22/26/35/1009222635.db2.gz SUXNMTYBBBYVDV-AWEZNQCLSA-N 0 2 412.515 3.739 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](COCC(C)C)c3ccco3)s[nH]2)c1 ZINC000543617481 1009222891 /nfs/dbraw/zinc/22/28/91/1009222891.db2.gz XUSMBUAGFSAKMM-MRXNPFEDSA-N 0 2 416.503 3.764 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ncc(-c3ccccc3F)s2)c(OC)c1 ZINC000549607702 1009235707 /nfs/dbraw/zinc/23/57/07/1009235707.db2.gz MKOLWUXFWSAWQW-UHFFFAOYSA-N 0 2 424.475 3.776 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCO[C@H](c2ccccc2)C1 ZINC000543655973 1009261550 /nfs/dbraw/zinc/26/15/50/1009261550.db2.gz KCOXHGQHGTUIGJ-INIZCTEOSA-N 0 2 400.891 3.886 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@@H](CCCO)c1ccccc1 ZINC000543658460 1009266237 /nfs/dbraw/zinc/26/62/37/1009266237.db2.gz OZQQVFKZEYWXFR-INIZCTEOSA-N 0 2 402.907 3.916 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCC(CCc2ccc(O)cc2)CC1 ZINC000543715104 1009316298 /nfs/dbraw/zinc/31/62/98/1009316298.db2.gz YMAGMSQWOOSCDU-UHFFFAOYSA-N 0 2 409.461 3.908 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000549719114 1009347783 /nfs/dbraw/zinc/34/77/83/1009347783.db2.gz PLEFICQZERGKKV-UHFFFAOYSA-N 0 2 412.247 3.982 20 0 HHADLN C[C@@H]1CN(Cc2ccc(C(=O)N=c3nc(-c4ccsc4)[nH]s3)cc2)C[C@H](C)O1 ZINC000520221646 1009348499 /nfs/dbraw/zinc/34/84/99/1009348499.db2.gz MSKCHWNITIAQTR-OKILXGFUSA-N 0 2 414.556 3.550 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)C1(c2cccc(Cl)c2)CCOCC1 ZINC000549730755 1009354417 /nfs/dbraw/zinc/35/44/17/1009354417.db2.gz MUDPTFSCGMKART-UHFFFAOYSA-N 0 2 412.877 3.826 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cccc(-c2cc[nH]n2)c1 ZINC000520239155 1009358803 /nfs/dbraw/zinc/35/88/03/1009358803.db2.gz RAMMAABSKZYPON-UHFFFAOYSA-N 0 2 413.480 3.879 20 0 HHADLN O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000549764765 1009380559 /nfs/dbraw/zinc/38/05/59/1009380559.db2.gz MDFRRNWWLXYJMH-MRXNPFEDSA-N 0 2 415.453 3.852 20 0 HHADLN Cc1ccc(C(=O)CCC(=O)CCC(=O)Nc2nc(-c3ccccc3F)n[nH]2)s1 ZINC000520273242 1009391335 /nfs/dbraw/zinc/39/13/35/1009391335.db2.gz DEBZTIJFXXHMRE-UHFFFAOYSA-N 0 2 414.462 3.932 20 0 HHADLN C[C@H]1CC[C@@]2(CCN(C(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2)C1 ZINC000543832337 1009393373 /nfs/dbraw/zinc/39/33/73/1009393373.db2.gz JBYHLLCAKUMGAF-IFXJQAMLSA-N 0 2 405.545 3.596 20 0 HHADLN C[C@@H]1CC[C@@]2(CCN(C(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2)C1 ZINC000543832336 1009393863 /nfs/dbraw/zinc/39/38/63/1009393863.db2.gz JBYHLLCAKUMGAF-AUUYWEPGSA-N 0 2 405.545 3.596 20 0 HHADLN Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(OCCO)c(C)c3)s2)cs1 ZINC000543911843 1009499244 /nfs/dbraw/zinc/49/92/44/1009499244.db2.gz JAGPASPYYKPISA-UHFFFAOYSA-N 0 2 410.542 3.660 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ccc(C)cc3OCC(F)(F)F)cc12 ZINC000546534503 1009555308 /nfs/dbraw/zinc/55/53/08/1009555308.db2.gz SRJQGSCENBTQBK-UHFFFAOYSA-N 0 2 415.393 3.836 20 0 HHADLN O=S(=O)(Nc1ccccc1S(=O)(=O)C1CCCC1)c1cc(F)c(F)c(F)c1 ZINC000520468387 1009576419 /nfs/dbraw/zinc/57/64/19/1009576419.db2.gz MSJGSZHKKJGWPX-UHFFFAOYSA-N 0 2 419.446 3.621 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1nc2c(cc(F)c(F)c2F)s1 ZINC000546562846 1009585842 /nfs/dbraw/zinc/58/58/42/1009585842.db2.gz LYFHZAUSYMPKFA-UHFFFAOYSA-N 0 2 418.418 3.540 20 0 HHADLN O=C(NC1(c2cccc(Br)c2)CCOCC1)c1cc(F)c(O)c(F)c1 ZINC000546582930 1009606769 /nfs/dbraw/zinc/60/67/69/1009606769.db2.gz ASADKRKCZZMRKJ-UHFFFAOYSA-N 0 2 412.230 3.869 20 0 HHADLN O=S(=O)(Nc1ccccc1S(=O)(=O)Nc1ccccc1)c1ccc(Cl)cc1 ZINC000546629543 1009639429 /nfs/dbraw/zinc/63/94/29/1009639429.db2.gz XLSNYGHZOFHVOC-UHFFFAOYSA-N 0 2 422.915 3.942 20 0 HHADLN CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000520627700 1009704148 /nfs/dbraw/zinc/70/41/48/1009704148.db2.gz UFDUFXAHZDYBAC-UHFFFAOYSA-N 0 2 413.858 3.505 20 0 HHADLN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2sc(-c3ccccc3)nc2C)c1 ZINC000544095962 1009705224 /nfs/dbraw/zinc/70/52/24/1009705224.db2.gz IWVVCEYKDOBVFQ-UHFFFAOYSA-N 0 2 422.553 3.713 20 0 HHADLN CC1CCN(C(=O)c2ccc(NS(=O)(=O)c3cc(F)c(F)cc3F)cc2)CC1 ZINC000520637004 1009713704 /nfs/dbraw/zinc/71/37/04/1009713704.db2.gz OVUCFBFYKBMPEG-UHFFFAOYSA-N 0 2 412.433 3.777 20 0 HHADLN COCCc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccc(Cl)cc2)cc1 ZINC000550403709 1009911684 /nfs/dbraw/zinc/91/16/84/1009911684.db2.gz CTHKIYNDNGGYQD-UHFFFAOYSA-N 0 2 405.907 3.824 20 0 HHADLN Cc1nn(C)c2ncc(S(=O)(=O)Nc3nc4c(ccc5ccccc45)s3)cc12 ZINC000550440739 1009940803 /nfs/dbraw/zinc/94/08/03/1009940803.db2.gz BQMVSGVWKMQYGO-UHFFFAOYSA-N 0 2 409.496 3.840 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc2cc(Cl)ccc2s1 ZINC000550440753 1009940874 /nfs/dbraw/zinc/94/08/74/1009940874.db2.gz CINXTLSSHHJRHS-UHFFFAOYSA-N 0 2 411.892 3.718 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC(COc4ccccc4)CC3)s[nH]2)c1 ZINC000544600214 1010226907 /nfs/dbraw/zinc/22/69/07/1010226907.db2.gz HMSOWCSLTIUBOF-UHFFFAOYSA-N 0 2 424.526 3.959 20 0 HHADLN O=S(=O)(Cc1cccc(F)c1)Nc1ccccc1S(=O)(=O)Nc1ccccc1 ZINC000547336845 1010259060 /nfs/dbraw/zinc/25/90/60/1010259060.db2.gz ROZUCGUDIWMZNA-UHFFFAOYSA-N 0 2 420.487 3.568 20 0 HHADLN CN(C[C@H]1COc2ccccc2O1)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000544635501 1010258962 /nfs/dbraw/zinc/25/89/62/1010258962.db2.gz OKVYJGMFYNGMAC-AWEZNQCLSA-N 0 2 416.890 3.584 20 0 HHADLN COc1ccc2c(c1)CN(C(=O)N=c1nc(-c3ccccc3Cl)[nH]s1)CC2 ZINC000544636093 1010260594 /nfs/dbraw/zinc/26/05/94/1010260594.db2.gz UFEIOIGQZWKZLI-UHFFFAOYSA-N 0 2 400.891 3.879 20 0 HHADLN CN(CCCC(=O)OC(C)(C)C)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000544637180 1010261549 /nfs/dbraw/zinc/26/15/49/1010261549.db2.gz OAJBKYKRYRMAOG-UHFFFAOYSA-N 0 2 410.927 3.866 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCCOc1ncccc1Cl ZINC000544637566 1010261962 /nfs/dbraw/zinc/26/19/62/1010261962.db2.gz VYDXOQNPAVRCKU-UHFFFAOYSA-N 0 2 410.286 3.529 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(Br)ccc2OC)c2ncccc12 ZINC000547434471 1010303802 /nfs/dbraw/zinc/30/38/02/1010303802.db2.gz XQZONVZFFPONKQ-UHFFFAOYSA-N 0 2 423.288 3.815 20 0 HHADLN CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(NC(=O)CN(C)C)cc2)c1 ZINC000551018644 1010320514 /nfs/dbraw/zinc/32/05/14/1010320514.db2.gz MJVOZZPWBUIYNF-UHFFFAOYSA-N 0 2 409.939 3.764 20 0 HHADLN COC(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000551019846 1010321189 /nfs/dbraw/zinc/32/11/89/1010321189.db2.gz AYWPKKCRAFOMKU-UHFFFAOYSA-N 0 2 412.870 3.667 20 0 HHADLN O=S(=O)([N-]c1ccnn1-c1ccc(Cl)cc1)c1ccccc1Cn1cc[nH+]c1 ZINC000544740674 1010346033 /nfs/dbraw/zinc/34/60/33/1010346033.db2.gz HBGPHTXOTQBUFJ-UHFFFAOYSA-N 0 2 413.890 3.571 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1Nc1ccccc1F)c1cnn(CC(F)F)c1 ZINC000551117261 1010380783 /nfs/dbraw/zinc/38/07/83/1010380783.db2.gz XLLGLJOQKBELAY-UHFFFAOYSA-N 0 2 414.384 3.971 20 0 HHADLN COc1cccc(-c2nc(C[N@H+](CCc3ccccc3)CC(=O)[O-])cs2)c1OC ZINC000521527970 1010440508 /nfs/dbraw/zinc/44/05/08/1010440508.db2.gz AADTUQWDUZVXIK-UHFFFAOYSA-N 0 2 412.511 3.957 20 0 HHADLN COc1cccc(-c2nc(C[N@@H+](CCc3ccccc3)CC(=O)[O-])cs2)c1OC ZINC000521527970 1010440511 /nfs/dbraw/zinc/44/05/11/1010440511.db2.gz AADTUQWDUZVXIK-UHFFFAOYSA-N 0 2 412.511 3.957 20 0 HHADLN CC(C)(C)NS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000548041690 1010510860 /nfs/dbraw/zinc/51/08/60/1010510860.db2.gz MKGDSRGCIVYECE-UHFFFAOYSA-N 0 2 418.540 3.717 20 0 HHADLN O=S(=O)(Nc1noc(-c2cccs2)n1)c1c(Cl)cc(Cl)cc1Cl ZINC000548146161 1010544258 /nfs/dbraw/zinc/54/42/58/1010544258.db2.gz QMGGSMDFYDLGGL-UHFFFAOYSA-N 0 2 410.691 4.559 20 0 HHADLN Cc1cnn(Cc2ccccc2F)c1NS(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000551386397 1010553978 /nfs/dbraw/zinc/55/39/78/1010553978.db2.gz LVLXXQRYPDRAFJ-UHFFFAOYSA-N 0 2 412.490 3.980 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cnn(CC(F)F)c2)cc1Cc1ccccc1 ZINC000551467535 1010603596 /nfs/dbraw/zinc/60/35/96/1010603596.db2.gz XZWDTXWFEQVFEY-UHFFFAOYSA-N 0 2 407.442 3.548 20 0 HHADLN O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000521889905 1010688282 /nfs/dbraw/zinc/68/82/82/1010688282.db2.gz OJGMLYWFVVYRJD-UHFFFAOYSA-N 0 2 404.327 3.618 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3ccc(NC(=O)C(C)(C)C)cc3)o2)c(C)o1 ZINC000548697840 1010707604 /nfs/dbraw/zinc/70/76/04/1010707604.db2.gz JFBHSMUEMSUFQK-UHFFFAOYSA-N 0 2 418.475 3.732 20 0 HHADLN Cc1nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2o1 ZINC000548750158 1010722912 /nfs/dbraw/zinc/72/29/12/1010722912.db2.gz CGASLSWPVQXOCQ-UHFFFAOYSA-N 0 2 414.468 3.646 20 0 HHADLN CCOc1cc(CN(C)C(=O)N=c2nc(C(C)(C)C)[nH]s2)ccc1OC(F)F ZINC000522624006 1011120752 /nfs/dbraw/zinc/12/07/52/1011120752.db2.gz VCMGEVPBGVKBRG-UHFFFAOYSA-N 0 2 414.478 3.922 20 0 HHADLN O=C([O-])[C@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000540664051 1011318162 /nfs/dbraw/zinc/31/81/62/1011318162.db2.gz FJZQRVOPXYWOPN-KRWDZBQOSA-N 0 2 404.253 3.605 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000536184095 1011320446 /nfs/dbraw/zinc/32/04/46/1011320446.db2.gz UDRGZHYDWHCHPR-UHFFFAOYSA-N 0 2 415.805 3.741 20 0 HHADLN C[C@@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccc(Oc2ccccc2)cc1 ZINC000523002480 1011456806 /nfs/dbraw/zinc/45/68/06/1011456806.db2.gz NIWXTOHIGDMCOC-CQSZACIVSA-N 0 2 424.526 3.866 20 0 HHADLN CC(C)(C)C[C@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccc(F)cc1 ZINC000523058708 1011528082 /nfs/dbraw/zinc/52/80/82/1011528082.db2.gz FBRDUNOVGWBMLL-AWEZNQCLSA-N 0 2 406.527 3.629 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCC3)c1C1CC1 ZINC000536499600 1011705636 /nfs/dbraw/zinc/70/56/36/1011705636.db2.gz WQMZRCRIWNCTNG-AWEZNQCLSA-N 0 2 416.547 3.831 20 0 HHADLN COc1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1CO ZINC000536521789 1011713905 /nfs/dbraw/zinc/71/39/05/1011713905.db2.gz GYFKIOIQGSKXTO-UHFFFAOYSA-N 0 2 402.248 3.592 20 0 HHADLN CCc1nc2cc(S(=O)(=O)Nc3cc(C)nn3-c3ccc(F)cc3)ccc2o1 ZINC000541083354 1011724250 /nfs/dbraw/zinc/72/42/50/1011724250.db2.gz JBNDGOYPXBSEIX-UHFFFAOYSA-N 0 2 400.435 3.824 20 0 HHADLN O=C(Cc1cccc(OCc2cccnc2)c1)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000536631188 1011786121 /nfs/dbraw/zinc/78/61/21/1011786121.db2.gz HXXCAQWRKNNXKI-UHFFFAOYSA-N 0 2 403.417 3.766 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2SC(C)C)cn1 ZINC000536701116 1011871804 /nfs/dbraw/zinc/87/18/04/1011871804.db2.gz DTZZUKRRAKSLBY-UHFFFAOYSA-N 0 2 400.909 3.823 20 0 HHADLN CN(C)C(=O)Nc1ccccc1NS(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000541305881 1012010255 /nfs/dbraw/zinc/01/02/55/1012010255.db2.gz BMDVJAAESYQHEE-UHFFFAOYSA-N 0 2 418.450 3.516 20 0 HHADLN Cc1c(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)[nH]nc1-c1ccccc1 ZINC000536892844 1012145521 /nfs/dbraw/zinc/14/55/21/1012145521.db2.gz HOVJZBFBRSONBC-UHFFFAOYSA-N 0 2 405.863 3.611 20 0 HHADLN C[C@@]1(CCC(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)CCC(=O)N1 ZINC000541516093 1012297658 /nfs/dbraw/zinc/29/76/58/1012297658.db2.gz DSDUCBMKWDKMOB-JOCHJYFZSA-N 0 2 422.510 3.807 20 0 HHADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000552366546 1012376362 /nfs/dbraw/zinc/37/63/62/1012376362.db2.gz KPEKVOAFPPBJAB-UHFFFAOYSA-N 0 2 410.293 3.752 20 0 HHADLN COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000552389694 1012400541 /nfs/dbraw/zinc/40/05/41/1012400541.db2.gz QAHFCPNCDZXXDP-KRWDZBQOSA-N 0 2 417.889 3.897 20 0 HHADLN COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000552389695 1012401164 /nfs/dbraw/zinc/40/11/64/1012401164.db2.gz QAHFCPNCDZXXDP-QGZVFWFLSA-N 0 2 417.889 3.897 20 0 HHADLN O=C(Nc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cc1)c1cccs1 ZINC000552596603 1012599114 /nfs/dbraw/zinc/59/91/14/1012599114.db2.gz FIMVEMAZLLVGPM-UHFFFAOYSA-N 0 2 405.439 3.743 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3Cc4ccccc4N(C)C[C@@H]3C)s[nH]2)c1 ZINC000541762069 1012624917 /nfs/dbraw/zinc/62/49/17/1012624917.db2.gz OVHWEXPTANYXOK-AWEZNQCLSA-N 0 2 409.515 3.508 20 0 HHADLN Cc1nn(-c2ccc(C(=O)Nc3cccc(-c4n[nH]c(=O)[nH]4)c3)cc2)c(C)c1Cl ZINC000552625997 1012628479 /nfs/dbraw/zinc/62/84/79/1012628479.db2.gz HJOWYBMFVGCGLS-UHFFFAOYSA-N 0 2 408.849 3.886 20 0 HHADLN O=S(=O)(Nc1nc(/C=C\c2ccccc2)cs1)c1ccccc1Cn1cncn1 ZINC000541786942 1012658048 /nfs/dbraw/zinc/65/80/48/1012658048.db2.gz FOWALUJUBCGFOR-KHPPLWFESA-N 0 2 423.523 3.754 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1cc(F)cc2c1OCOC2 ZINC000541797375 1012673705 /nfs/dbraw/zinc/67/37/05/1012673705.db2.gz SWSCQIGVZATUMB-UHFFFAOYSA-N 0 2 420.853 3.608 20 0 HHADLN CC(=O)N(Cc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1)C(C)C ZINC000523960008 1012703802 /nfs/dbraw/zinc/70/38/02/1012703802.db2.gz RFPZZBNYOSERMZ-UHFFFAOYSA-N 0 2 400.422 3.662 20 0 HHADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000537352608 1012819374 /nfs/dbraw/zinc/81/93/74/1012819374.db2.gz QUEVTLJDVWJELO-UHFFFAOYSA-N 0 2 423.560 3.890 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3[C@H](C)Cc4cc(OC)ccc4[C@@H]3C)=N2)cc1 ZINC000541992855 1012869161 /nfs/dbraw/zinc/86/91/61/1012869161.db2.gz MKGOQQNTDQGQMO-CABCVRRESA-N 0 2 407.470 3.743 20 0 HHADLN CCCN(C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)[C@@H](C)c1cc2ccccc2o1 ZINC000524099728 1012874103 /nfs/dbraw/zinc/87/41/03/1012874103.db2.gz NNYOGXVAOLJUFC-ZDUSSCGKSA-N 0 2 414.531 3.942 20 0 HHADLN COc1ccc(OCCS(=O)(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)cc1 ZINC000537395487 1012877304 /nfs/dbraw/zinc/87/73/04/1012877304.db2.gz YKDRZWDUCHTZNL-UHFFFAOYSA-N 0 2 421.906 3.663 20 0 HHADLN O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2cccnc2Oc2ccccc2)c1 ZINC000614843331 1071760261 /nfs/dbraw/zinc/76/02/61/1071760261.db2.gz BSFAPTPNBAVSFC-UHFFFAOYSA-N 0 2 409.467 3.567 20 0 HHADLN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Oc3cccnc3)nc2)c1 ZINC000760267639 1071811476 /nfs/dbraw/zinc/81/14/76/1071811476.db2.gz HQFUDKGZWXGXDM-UHFFFAOYSA-N 0 2 419.846 3.510 20 0 HHADLN O=S(=O)(Nc1cccc(F)c1)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 ZINC000614865357 1071832407 /nfs/dbraw/zinc/83/24/07/1071832407.db2.gz GLLMPPIVLFMEIN-UHFFFAOYSA-N 0 2 424.450 3.566 20 0 HHADLN COC(=O)c1cc(NC(=O)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)ccc1Cl ZINC000615076816 1072082840 /nfs/dbraw/zinc/08/28/40/1072082840.db2.gz JNARMKPINYEDHW-UHFFFAOYSA-N 0 2 417.632 3.716 20 0 HHADLN O=C(C[C@H]1SC(n2nccc2C(F)(F)F)=NC1=O)Nc1ccc(F)c(Cl)c1 ZINC000913100012 1072329091 /nfs/dbraw/zinc/32/90/91/1072329091.db2.gz ZGCVJKZFWCCCQS-SNVBAGLBSA-N 0 2 420.775 3.569 20 0 HHADLN CCC[C@H](NC(=O)c1c(O)cc(F)cc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000586762398 1072421094 /nfs/dbraw/zinc/42/10/94/1072421094.db2.gz LVYIWSJSZMTBEC-SFHVURJKSA-N 0 2 417.456 3.808 20 0 HHADLN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cccc(Br)c1O ZINC000537673450 1072543600 /nfs/dbraw/zinc/54/36/00/1072543600.db2.gz KBYOBLWLXBMWAB-UHFFFAOYSA-N 0 2 418.335 3.928 20 0 HHADLN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1cccc(Br)c1O ZINC000537675336 1072544970 /nfs/dbraw/zinc/54/49/70/1072544970.db2.gz KJWMNIPIIQDUOA-UHFFFAOYSA-N 0 2 407.264 3.508 20 0 HHADLN COCc1ccc(S(=O)(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CCC3)cc1 ZINC000479128248 1072737214 /nfs/dbraw/zinc/73/72/14/1072737214.db2.gz IOZZGNXKVCVVFB-UHFFFAOYSA-N 0 2 417.918 3.962 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cccc3c2CN(c2nccs2)C3)c(F)c1 ZINC000479118168 1072754263 /nfs/dbraw/zinc/75/42/63/1072754263.db2.gz XGBSJFFEEDIBHU-UHFFFAOYSA-N 0 2 405.476 3.612 20 0 HHADLN COC(=O)CCSc1ncccc1NS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000479147541 1072768372 /nfs/dbraw/zinc/76/83/72/1072768372.db2.gz KCMYMLOIXDEXGI-UHFFFAOYSA-N 0 2 414.574 3.897 20 0 HHADLN Cc1cccc(NC(=O)[C@@H](C)S(=O)(=O)c2n[nH]c(-c3ccc(Cl)cc3)n2)c1C ZINC000571984930 1072963385 /nfs/dbraw/zinc/96/33/85/1072963385.db2.gz ZSPVEUKOPFRDKK-CYBMUJFWSA-N 0 2 418.906 3.543 20 0 HHADLN O=S(=O)(Nc1ccccc1OCC(F)(F)F)c1cc2c(cc1Cl)OCCO2 ZINC000588626852 1073066747 /nfs/dbraw/zinc/06/67/47/1073066747.db2.gz UKWRTHONSBECQC-UHFFFAOYSA-N 0 2 423.796 3.853 20 0 HHADLN CCn1c(COc2cccc(C)c2)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000555084390 1073146742 /nfs/dbraw/zinc/14/67/42/1073146742.db2.gz PWNZJPXFCHWWJO-UHFFFAOYSA-N 0 2 410.503 3.532 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3cc(F)ccc3N3CCCCC3)c(F)cc2N1 ZINC000588909103 1073356711 /nfs/dbraw/zinc/35/67/11/1073356711.db2.gz UVPYXMSFFBNUPZ-UHFFFAOYSA-N 0 2 421.469 3.641 20 0 HHADLN O=C(COc1ccc(Br)cc1F)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000590405985 1073789372 /nfs/dbraw/zinc/78/93/72/1073789372.db2.gz VDTOCVIKTPINBT-UHFFFAOYSA-N 0 2 409.190 3.530 20 0 HHADLN Cc1ccc(Cn2nccc2NS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000555951029 1073998251 /nfs/dbraw/zinc/99/82/51/1073998251.db2.gz SZAKTOZBODACNX-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(CSc2nc[nH]n2)cc1 ZINC000590837957 1074012888 /nfs/dbraw/zinc/01/28/88/1074012888.db2.gz NUGODIDZHDQURO-UHFFFAOYSA-N 0 2 411.878 3.788 20 0 HHADLN COc1cc(C)cc(C)c1S(=O)(=O)Nc1nnc(Cc2ccc(C)cc2)s1 ZINC000556037380 1074057771 /nfs/dbraw/zinc/05/77/71/1074057771.db2.gz WDYFHFGAWWXUFC-UHFFFAOYSA-N 0 2 403.529 3.864 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2nnc([C@H]3COc4ccccc4O3)o2)cc1CC ZINC000556038978 1074058237 /nfs/dbraw/zinc/05/82/37/1074058237.db2.gz DTPIFZCTODXOMK-GOSISDBHSA-N 0 2 415.471 3.508 20 0 HHADLN Cc1ccc(Cc2cnc(NS(=O)(=O)c3cccc(C(N)=O)c3)s2)cc1Cl ZINC000615183971 1074097345 /nfs/dbraw/zinc/09/73/45/1074097345.db2.gz LVTVJNJMHLILFP-UHFFFAOYSA-N 0 2 421.931 3.595 20 0 HHADLN CCN(CC)C(=O)Cn1ccc2cc(NS(=O)(=O)c3ccc(C)cc3F)ccc21 ZINC000591681681 1074485750 /nfs/dbraw/zinc/48/57/50/1074485750.db2.gz BCGMVJUYQNDWHF-UHFFFAOYSA-N 0 2 417.506 3.758 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3Cl)o2)cc1C ZINC000573908799 1074673154 /nfs/dbraw/zinc/67/31/54/1074673154.db2.gz AYOKRYRGIOBXBI-UHFFFAOYSA-N 0 2 407.879 3.822 20 0 HHADLN C[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O)c1ccc[nH]1 ZINC000760955957 1074708391 /nfs/dbraw/zinc/70/83/91/1074708391.db2.gz BPGZVAWEZJZABU-OAHLLOKOSA-N 0 2 418.522 3.747 20 0 HHADLN CCc1c([O-])nc(SCc2cn3cccc(C)c3[nH+]2)n(-c2ccc(OC)cc2)c1=O ZINC000573955578 1074754268 /nfs/dbraw/zinc/75/42/68/1074754268.db2.gz VHGVOGPPKJALHC-UHFFFAOYSA-N 0 2 422.510 3.758 20 0 HHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2nnc([C@@H]3COc4ccccc4O3)o2)cc1 ZINC000574265487 1075193107 /nfs/dbraw/zinc/19/31/07/1075193107.db2.gz IJHBVYJBLOGAQL-KRWDZBQOSA-N 0 2 415.471 3.680 20 0 HHADLN CCCCOc1ccc(-c2nnc(NS(=O)(=O)c3ccccc3COC)o2)cc1 ZINC000574392513 1075241267 /nfs/dbraw/zinc/24/12/67/1075241267.db2.gz PGSXNJJADJJWQL-UHFFFAOYSA-N 0 2 417.487 3.863 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)o2)c(C)c1F ZINC000574479766 1075253093 /nfs/dbraw/zinc/25/30/93/1075253093.db2.gz ZLPJYZPLLOHBFR-UHFFFAOYSA-N 0 2 411.842 3.571 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2cc(Br)ccc2-n2cccn2)c1 ZINC000303307369 971616539 /nfs/dbraw/zinc/61/65/39/971616539.db2.gz DXLITYDDZNKHKS-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN CC(C)COc1ccc(S(=O)(=O)Nc2nc(CN3CCCCC3)cs2)cc1 ZINC000524298167 1013109347 /nfs/dbraw/zinc/10/93/47/1013109347.db2.gz VAOVXJNVAHFURW-UHFFFAOYSA-N 0 2 409.577 3.965 20 0 HHADLN O=S(=O)(Nc1cnn(Cc2ccccc2)c1)c1ccc(Br)cc1F ZINC000303686623 971963104 /nfs/dbraw/zinc/96/31/04/971963104.db2.gz PYOCCHNXNYEARY-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)=N2)c1 ZINC000303849615 972389267 /nfs/dbraw/zinc/38/92/67/972389267.db2.gz DGEIOFOHYFCKCC-INIZCTEOSA-N 0 2 416.485 3.773 20 0 HHADLN O=C(NNC(=O)c1ccccc1-n1cccc1)c1ccc(COc2ccccc2)o1 ZINC000005094622 960652104 /nfs/dbraw/zinc/65/21/04/960652104.db2.gz SGWYMURBLKRTDE-UHFFFAOYSA-N 0 2 401.422 3.724 20 0 HHADLN C/N=C1\NC(=O)C(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)S1 ZINC000007883231 961361857 /nfs/dbraw/zinc/36/18/57/961361857.db2.gz MCDXTSVRHFWPBR-INIZCTEOSA-N 0 2 410.524 3.818 20 0 HHADLN Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000537728726 1013290480 /nfs/dbraw/zinc/29/04/80/1013290480.db2.gz PNLYGPCHOYPUIF-UHFFFAOYSA-N 0 2 405.241 3.746 20 0 HHADLN O=C(c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O)N1CCc2sccc2C1 ZINC000012216877 962255727 /nfs/dbraw/zinc/25/57/27/962255727.db2.gz HRMHGRFXWGXNTD-UHFFFAOYSA-N 0 2 423.519 3.587 20 0 HHADLN O=C(C1=NN(c2ccccc2)CC1=O)N1CCc2cc(Br)cc(F)c2C1 ZINC000553410452 1013335150 /nfs/dbraw/zinc/33/51/50/1013335150.db2.gz ZDILMDUNWIYDQN-UHFFFAOYSA-N 0 2 416.250 3.678 20 0 HHADLN CCS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000014097569 962421424 /nfs/dbraw/zinc/42/14/24/962421424.db2.gz CQIHSVGOTDRKAY-UHFFFAOYSA-N 0 2 400.330 3.649 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000014370935 962488990 /nfs/dbraw/zinc/48/89/90/962488990.db2.gz HJJIPUDKYBJCSO-UHFFFAOYSA-N 0 2 409.492 3.878 20 0 HHADLN O=S(=O)(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(F)c(F)c1F ZINC000016150438 962963885 /nfs/dbraw/zinc/96/38/85/962963885.db2.gz DHOMZBUVTIHTCD-UHFFFAOYSA-N 0 2 422.432 3.890 20 0 HHADLN O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000024304782 963975428 /nfs/dbraw/zinc/97/54/28/963975428.db2.gz SDNPEBOBPKCLFN-UHFFFAOYSA-N 0 2 402.809 3.655 20 0 HHADLN Cc1csc(C(C#N)C(=O)CSc2n[nH]c(COc3ccc(Cl)cc3)n2)n1 ZINC000026047497 964430287 /nfs/dbraw/zinc/43/02/87/964430287.db2.gz JBKZXBPHWFABSH-CYBMUJFWSA-N 0 2 419.919 3.771 20 0 HHADLN CN(CC(=O)NC(C)(C)C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 ZINC000026884971 964709403 /nfs/dbraw/zinc/70/94/03/964709403.db2.gz ZRYSORBKOFLQNO-UHFFFAOYSA-N 0 2 402.495 3.550 20 0 HHADLN Cc1nc(COc2ccc(F)cc2)sc1C(=O)NNC(=O)c1ccccc1Cl ZINC000028772951 965178180 /nfs/dbraw/zinc/17/81/80/965178180.db2.gz ZGJVUUHKPAXRSG-UHFFFAOYSA-N 0 2 419.865 3.898 20 0 HHADLN O=C(Nc1ccc(OCCCO)cc1)c1[nH]nc(-c2ccccc2)c1Br ZINC000553696835 1013554185 /nfs/dbraw/zinc/55/41/85/1013554185.db2.gz WPTMMMPGOWJHIQ-UHFFFAOYSA-N 0 2 416.275 3.853 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc(Br)ccc1Cl ZINC000028970290 965229120 /nfs/dbraw/zinc/22/91/20/965229120.db2.gz ZYSSPBPZFVIPSO-UHFFFAOYSA-N 0 2 412.696 3.673 20 0 HHADLN CC(C)OC(=O)Cc1nc(=O)c2sc(-c3ccc(Br)cc3)cc2[nH]1 ZINC000053847317 965290389 /nfs/dbraw/zinc/29/03/89/965290389.db2.gz BQPNZZHTRLRCIZ-UHFFFAOYSA-N 0 2 407.289 3.908 20 0 HHADLN COCCCOc1ccccc1NS(=O)(=O)c1ccc(F)cc1Br ZINC000057121032 965291992 /nfs/dbraw/zinc/29/19/92/965291992.db2.gz WPHJQXXNOPYYST-UHFFFAOYSA-N 0 2 418.284 3.804 20 0 HHADLN O=c1nc(Cc2nc3ccccc3[nH]2)[nH]c2cc(-c3ccc4c(c3)OCCO4)sc21 ZINC000053854395 965294615 /nfs/dbraw/zinc/29/46/15/965294615.db2.gz JMBLDJKVMKHZTI-UHFFFAOYSA-N 0 2 416.462 3.890 20 0 HHADLN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C#N)ccc2OC(C)C)c1 ZINC000057122608 965294693 /nfs/dbraw/zinc/29/46/93/965294693.db2.gz LDQCYJMRVKTTMN-UHFFFAOYSA-N 0 2 408.863 3.586 20 0 HHADLN CCCCCCNC(=O)Cc1nc(=O)c2sc(-c3ccc4c(c3)OCO4)cc2[nH]1 ZINC000053854673 965295227 /nfs/dbraw/zinc/29/52/27/965295227.db2.gz ADCFULIXNJPRQY-UHFFFAOYSA-N 0 2 413.499 3.619 20 0 HHADLN CC(C)(NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1F ZINC000553730545 1013576522 /nfs/dbraw/zinc/57/65/22/1013576522.db2.gz RZSQOIWRAFUULO-UHFFFAOYSA-N 0 2 419.503 3.748 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)cc1OC ZINC000057734000 965533577 /nfs/dbraw/zinc/53/35/77/965533577.db2.gz NDPVKEMWVQWJGX-UHFFFAOYSA-N 0 2 404.391 3.532 20 0 HHADLN Cc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c(C)n1-c1ccccc1C ZINC000030031681 965605196 /nfs/dbraw/zinc/60/51/96/965605196.db2.gz HJIAPZVEGKZYPG-UHFFFAOYSA-N 0 2 406.511 3.973 20 0 HHADLN COc1ccc(-c2nc(SCC(=O)N3[C@H](C)CCC[C@H]3C)[nH]c(=O)c2C#N)cc1 ZINC000054749261 965630613 /nfs/dbraw/zinc/63/06/13/965630613.db2.gz ODPADNKQQZKBFM-ZIAGYGMSSA-N 0 2 412.515 3.611 20 0 HHADLN CS(=O)(=O)c1ccc(F)c(S(=O)(=O)Nc2ccccc2-c2cccs2)c1 ZINC000054829676 965660840 /nfs/dbraw/zinc/66/08/40/965660840.db2.gz BRDQHDYZRMHADM-UHFFFAOYSA-N 0 2 411.501 3.759 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H]3CCCO[C@H]3c3ccc(C)cc3)s[nH]2)c1 ZINC000542686899 1013606583 /nfs/dbraw/zinc/60/65/83/1013606583.db2.gz MSBHASYAXUJOCV-OALUTQOASA-N 0 2 424.526 3.986 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3ccc(SC(F)F)cc3)c(F)cc2N1 ZINC000055545934 965908010 /nfs/dbraw/zinc/90/80/10/965908010.db2.gz ORPROFWEYFJTKA-UHFFFAOYSA-N 0 2 402.419 3.826 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1 ZINC000055580753 965934894 /nfs/dbraw/zinc/93/48/94/965934894.db2.gz NQSKSNBIIOOYPY-UHFFFAOYSA-N 0 2 403.435 3.850 20 0 HHADLN O=[N+]([O-])c1ccc(OC(F)F)c(NS(=O)(=O)c2ccc(CCCl)cc2)c1 ZINC000055589854 965944424 /nfs/dbraw/zinc/94/44/24/965944424.db2.gz XGUFUPYSIIZWFL-UHFFFAOYSA-N 0 2 406.794 3.778 20 0 HHADLN Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000055592039 965947008 /nfs/dbraw/zinc/94/70/08/965947008.db2.gz BSIKJRAJJBDRLA-UHFFFAOYSA-N 0 2 406.895 3.691 20 0 HHADLN O=C(Cc1ccccc1)Nc1cc(NS(=O)(=O)c2ccccc2F)ccc1F ZINC000055633952 965980101 /nfs/dbraw/zinc/98/01/01/965980101.db2.gz ULKWQSPAUSKOSZ-UHFFFAOYSA-N 0 2 402.422 3.947 20 0 HHADLN CCCOc1ccc(Cl)cc1NS(=O)(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000055642713 965985709 /nfs/dbraw/zinc/98/57/09/965985709.db2.gz WTPHZCLRCPWOAA-UHFFFAOYSA-N 0 2 417.936 3.723 20 0 HHADLN COc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000055666162 966008627 /nfs/dbraw/zinc/00/86/27/966008627.db2.gz IIJOZWBXPWZMRA-UHFFFAOYSA-N 0 2 403.287 3.505 20 0 HHADLN O=S(=O)(Nc1cccc2c1OCCO2)c1ccc(Br)cc1Cl ZINC000055685667 966017064 /nfs/dbraw/zinc/01/70/64/966017064.db2.gz BXVQYXMTKHBYMX-UHFFFAOYSA-N 0 2 404.669 3.675 20 0 HHADLN O=C(CCOc1ccccc1Cl)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000031485037 966032254 /nfs/dbraw/zinc/03/22/54/966032254.db2.gz QJZDPPKMVKDGQQ-UHFFFAOYSA-N 0 2 414.845 3.742 20 0 HHADLN CC(C)Cc1ccc(C(=O)CCC(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1 ZINC000032055901 966184399 /nfs/dbraw/zinc/18/43/99/966184399.db2.gz IKJGIHJOSYVHHJ-UHFFFAOYSA-N 0 2 419.481 3.964 20 0 HHADLN Cc1nn(C)cc1S(=O)(=O)Nc1ccccc1NC12CC3CC(CC(C3)C1)C2 ZINC000553819524 1013635904 /nfs/dbraw/zinc/63/59/04/1013635904.db2.gz NDTUBLVIOXCJNA-UHFFFAOYSA-N 0 2 400.548 3.910 20 0 HHADLN CNC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)cc1 ZINC000060738750 966271458 /nfs/dbraw/zinc/27/14/58/966271458.db2.gz ZVFHNIMWIBNKCX-UHFFFAOYSA-N 0 2 424.457 3.529 20 0 HHADLN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1Cl ZINC000032627871 966296386 /nfs/dbraw/zinc/29/63/86/966296386.db2.gz NZEHIGDSHDOWDO-UHFFFAOYSA-N 0 2 402.850 3.901 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1N1CCCC1=O ZINC000032630558 966298428 /nfs/dbraw/zinc/29/84/28/966298428.db2.gz UNJZIJVDIWTUMV-UHFFFAOYSA-N 0 2 421.327 3.991 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCOC[C@@H]1c1ccccc1 ZINC000542730367 1013642352 /nfs/dbraw/zinc/64/23/52/1013642352.db2.gz VELLLILRYPWXLY-MRXNPFEDSA-N 0 2 400.891 3.886 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N(CCO)[C@H]1CCc2ccccc21 ZINC000542730137 1013642612 /nfs/dbraw/zinc/64/26/12/1013642612.db2.gz VZFOQHOWZSPYKD-KRWDZBQOSA-N 0 2 414.918 3.794 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccccc1SC(F)F ZINC000032798072 966328823 /nfs/dbraw/zinc/32/88/23/966328823.db2.gz KGMZSFYTNNEAFJ-UHFFFAOYSA-N 0 2 402.444 3.769 20 0 HHADLN C=CCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)NOCc1ccccc1 ZINC000039489547 966494300 /nfs/dbraw/zinc/49/43/00/966494300.db2.gz OYDWYWNRZFVJGY-UHFFFAOYSA-N 0 2 415.902 3.576 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C(C)(C)C)C(F)(F)F)cc1Cl ZINC000542754808 1013662099 /nfs/dbraw/zinc/66/20/99/1013662099.db2.gz FAAMGZXKBRMDBS-LBPRGKRZSA-N 0 2 404.813 3.693 20 0 HHADLN N#CC(C(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1nc2ccccc2s1 ZINC000041498127 966581248 /nfs/dbraw/zinc/58/12/48/966581248.db2.gz HQOOVLISCVTUIX-SFHVURJKSA-N 0 2 419.506 3.790 20 0 HHADLN N#C[C@@H](C(=O)C1CCN(C(=O)COc2ccccc2)CC1)c1nc2ccccc2s1 ZINC000041498127 966581261 /nfs/dbraw/zinc/58/12/61/966581261.db2.gz HQOOVLISCVTUIX-SFHVURJKSA-N 0 2 419.506 3.790 20 0 HHADLN Cc1csc(C(C#N)C(=O)C(=Cc2ccco2)n2nnnc2-c2ccccc2)n1 ZINC000041516653 966584482 /nfs/dbraw/zinc/58/44/82/966584482.db2.gz ILXPAJSZTXSVFX-FNTDYBJHSA-N 0 2 402.439 3.573 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(F)c(F)c2)nc1C1CCCC1 ZINC000542755434 1013662797 /nfs/dbraw/zinc/66/27/97/1013662797.db2.gz JQXKGBBECBPTRI-UHFFFAOYSA-N 0 2 402.444 3.666 20 0 HHADLN N#CC(C(=O)COc1ccc2c(c1)CCC(=O)N2)c1nc2ccccc2n1C(F)F ZINC000041557140 966594842 /nfs/dbraw/zinc/59/48/42/966594842.db2.gz BNLHKAKAENKRCN-AWEZNQCLSA-N 0 2 410.380 3.571 20 0 HHADLN CCCc1ccc(C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)cc1 ZINC000062280625 966635986 /nfs/dbraw/zinc/63/59/86/966635986.db2.gz YIXOZSLQOLTFFS-UHFFFAOYSA-N 0 2 402.501 3.544 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)CCCC2)c1ccc(Br)cc1Cl ZINC000042267027 966761508 /nfs/dbraw/zinc/76/15/08/966761508.db2.gz VDZZVSXPITZUGZ-UHFFFAOYSA-N 0 2 407.742 4.239 20 0 HHADLN Cn1c2ccccc2nc1[C@@H]1CCCCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000542785404 1013681240 /nfs/dbraw/zinc/68/12/40/1013681240.db2.gz WEQYYYZEKMLZMX-IBGZPJMESA-N 0 2 419.460 3.971 20 0 HHADLN O=C1CCC(=O)N1Cc1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000063443550 966859370 /nfs/dbraw/zinc/85/93/70/966859370.db2.gz DAWKOZYNOBVFLM-UHFFFAOYSA-N 0 2 419.311 3.505 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1cccc2c1ccn2C ZINC000542788391 1013682058 /nfs/dbraw/zinc/68/20/58/1013682058.db2.gz WEDOUOSFAGUEJA-UHFFFAOYSA-N 0 2 413.268 3.889 20 0 HHADLN CC(C)c1ccc(C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)cc1 ZINC000043281913 966943668 /nfs/dbraw/zinc/94/36/68/966943668.db2.gz OJJZNHRDWNHHKA-UHFFFAOYSA-N 0 2 402.501 3.715 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)NCC(C)(C)c3ccc(OC)cc3)cc2[nH]c1=S ZINC000064056967 967036458 /nfs/dbraw/zinc/03/64/58/967036458.db2.gz ZTTPGDJSGGJGDR-UHFFFAOYSA-N 0 2 423.538 3.587 20 0 HHADLN N#Cc1ccc(F)c(COC(=O)CSc2[nH]c(=O)cc(C(F)(F)F)c2C#N)c1 ZINC000043866675 967060411 /nfs/dbraw/zinc/06/04/11/967060411.db2.gz NBLBVWIXSSWKOE-UHFFFAOYSA-N 0 2 411.336 3.524 20 0 HHADLN CCCS(=O)(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1C ZINC000064381364 967163096 /nfs/dbraw/zinc/16/30/96/967163096.db2.gz JEWSKBCIDIJYGR-UHFFFAOYSA-N 0 2 420.915 3.740 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)c1 ZINC000064478103 967204505 /nfs/dbraw/zinc/20/45/05/967204505.db2.gz OKQAWXDLSSLXBZ-UHFFFAOYSA-N 0 2 402.497 3.597 20 0 HHADLN CCc1ccc(OCc2nnc(SCc3n[nH]c(=O)[nH]3)n2Cc2ccccc2)cc1 ZINC000538147951 1013707702 /nfs/dbraw/zinc/70/77/02/1013707702.db2.gz RVPXPRWTGWNDTA-UHFFFAOYSA-N 0 2 422.514 3.584 20 0 HHADLN Cc1cccc(C2(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)CC2)c1 ZINC000064671874 967266373 /nfs/dbraw/zinc/26/63/73/967266373.db2.gz FPMPDSPADHZIJX-UHFFFAOYSA-N 0 2 413.524 3.923 20 0 HHADLN COc1ccc(-c2nc(S[C@H](C)c3nc(C(C)(C)C)no3)[nH]c(=O)c2C#N)cc1 ZINC000045104195 967355815 /nfs/dbraw/zinc/35/58/15/967355815.db2.gz PXFKRJBNSNZXQG-LLVKDONJSA-N 0 2 411.487 3.851 20 0 HHADLN O=C(Nc1ccc(-n2cccn2)nc1)c1[nH]nc(-c2ccccc2)c1Br ZINC000065106152 967379340 /nfs/dbraw/zinc/37/93/40/967379340.db2.gz PMSHRRQWVLBZKT-UHFFFAOYSA-N 0 2 409.247 3.672 20 0 HHADLN CC[C@H]1C[C@H](CC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)CCO1 ZINC000542881143 1013729422 /nfs/dbraw/zinc/72/94/22/1013729422.db2.gz YUPUYYFHWMWTLK-PWSUYJOCSA-N 0 2 411.275 3.907 20 0 HHADLN COc1cc(C(=O)NNC(=O)c2nc(-c3cccs3)oc2C)ccc1OC(C)C ZINC000046570990 967863561 /nfs/dbraw/zinc/86/35/61/967863561.db2.gz HYFXUUGHJPOPDY-UHFFFAOYSA-N 0 2 415.471 3.582 20 0 HHADLN O=S(=O)(Nc1ccccc1OCC(F)(F)F)c1ccc(C(F)(F)F)nc1 ZINC000542936312 1013770112 /nfs/dbraw/zinc/77/01/12/1013770112.db2.gz LSCQMBRMHJKFGI-UHFFFAOYSA-N 0 2 400.300 3.842 20 0 HHADLN COCCOc1ccc(S(=O)(=O)Nc2cccnc2Oc2ccccc2)cc1 ZINC000047211854 968090354 /nfs/dbraw/zinc/09/03/54/968090354.db2.gz OOLMAVRMIQSZDF-UHFFFAOYSA-N 0 2 400.456 3.700 20 0 HHADLN O=C1CCCN1c1ccc(S(=O)(=O)Nc2cccnc2Oc2ccccc2)cc1 ZINC000047211819 968090410 /nfs/dbraw/zinc/09/04/10/968090410.db2.gz FZYLVAIUSDPTPH-UHFFFAOYSA-N 0 2 409.467 3.802 20 0 HHADLN COc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2OC)c1 ZINC000047215065 968091151 /nfs/dbraw/zinc/09/11/51/968091151.db2.gz KNVWRBSRHOMCSA-UHFFFAOYSA-N 0 2 412.467 3.757 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(N4CCCC4)c3)cc2[nH]c1=S ZINC000047289883 968123698 /nfs/dbraw/zinc/12/36/98/968123698.db2.gz AUUJZZLOZGJSNV-UHFFFAOYSA-N 0 2 406.511 3.724 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)c(F)c1F ZINC000096505977 969044967 /nfs/dbraw/zinc/04/49/67/969044967.db2.gz LQTUWMYGSGYXDG-UHFFFAOYSA-N 0 2 413.402 3.614 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(C)c(C)c2)nc1C(F)(F)F ZINC000096760626 969050952 /nfs/dbraw/zinc/05/09/52/969050952.db2.gz PEDURMIUPIUVQM-UHFFFAOYSA-N 0 2 408.423 3.756 20 0 HHADLN O=C(NNC(=O)c1ccc(Br)s1)c1csc(Cc2ccccc2)n1 ZINC000106125781 969292674 /nfs/dbraw/zinc/29/26/74/969292674.db2.gz WFKWKFOICVJYIX-UHFFFAOYSA-N 0 2 422.329 3.633 20 0 HHADLN CCOC(=O)/C=C/c1ccc(NS(=O)(=O)c2ccc(Cl)nc2Cl)cc1 ZINC000110207110 969637541 /nfs/dbraw/zinc/63/75/41/969637541.db2.gz LPZMRBDUCPDPDQ-BJMVGYQFSA-N 0 2 401.271 3.766 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc3[nH]ccc32)c(Br)c1 ZINC000110401996 969662734 /nfs/dbraw/zinc/66/27/34/969662734.db2.gz GYWBJRGSHOBLNQ-UHFFFAOYSA-N 0 2 423.288 3.908 20 0 HHADLN O=C(Cn1ccc2ccccc21)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000115215874 969834216 /nfs/dbraw/zinc/83/42/16/969834216.db2.gz SOZWLJNFWZLTDK-UHFFFAOYSA-N 0 2 412.496 3.537 20 0 HHADLN CCCc1noc2nc(C3CC3)cc(C(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)c12 ZINC000117124945 969938019 /nfs/dbraw/zinc/93/80/19/969938019.db2.gz RRYHLLYUNRYINK-UHFFFAOYSA-N 0 2 423.498 3.623 20 0 HHADLN O=C(Nc1ccccc1CN1CCSCC1)c1cc(Br)ccc1O ZINC000195744331 969996355 /nfs/dbraw/zinc/99/63/55/969996355.db2.gz PNLAOXXHMOIIEX-UHFFFAOYSA-N 0 2 407.333 3.956 20 0 HHADLN O=C(/C=C\c1ccccc1F)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000213558471 970039588 /nfs/dbraw/zinc/03/95/88/970039588.db2.gz LLFVYIAUGRSNMC-YHYXMXQVSA-N 0 2 403.460 3.735 20 0 HHADLN CC(C)Cc1nnc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)s1 ZINC000232649876 970140041 /nfs/dbraw/zinc/14/00/41/970140041.db2.gz HVIFKTJNKDQAAT-UHFFFAOYSA-N 0 2 410.746 3.953 20 0 HHADLN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3ccc4c(c3)[nH]c(=S)n(C)c4=O)nc2c1 ZINC000142295668 970150083 /nfs/dbraw/zinc/15/00/83/970150083.db2.gz IVGKFHZDHCOVFI-GOSISDBHSA-N 0 2 419.510 3.758 20 0 HHADLN Cc1ccc2nc([C@H]3CCCN3C(=O)c3ccc4c(c3)[nH]c(=S)n(C)c4=O)[nH]c2c1 ZINC000142295668 970150091 /nfs/dbraw/zinc/15/00/91/970150091.db2.gz IVGKFHZDHCOVFI-GOSISDBHSA-N 0 2 419.510 3.758 20 0 HHADLN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)S(=O)(=O)Cc2ccc(C(C)C)cc2)c1C ZINC000146087019 970279760 /nfs/dbraw/zinc/27/97/60/970279760.db2.gz DFKGCCRJMVCRQS-OAHLLOKOSA-N 0 2 405.516 3.728 20 0 HHADLN O=C(NCCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000149178921 970386339 /nfs/dbraw/zinc/38/63/39/970386339.db2.gz MSCQFQMKFFNJFG-UHFFFAOYSA-N 0 2 421.931 3.570 20 0 HHADLN COC(=O)Cc1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1 ZINC000150034418 970422773 /nfs/dbraw/zinc/42/27/73/970422773.db2.gz OWSUVLRQODYHNO-UHFFFAOYSA-N 0 2 414.259 3.807 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)c1F ZINC000554621901 1013991449 /nfs/dbraw/zinc/99/14/49/1013991449.db2.gz JKNUKVSTLBVGKP-UHFFFAOYSA-N 0 2 418.412 3.790 20 0 HHADLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccc(Cl)cc2)C1=O ZINC000254903811 970582635 /nfs/dbraw/zinc/58/26/35/970582635.db2.gz YMNDVUKVWAXZCC-KRWDZBQOSA-N 0 2 401.919 3.650 20 0 HHADLN CC(C)n1ncc2cc(NS(=O)(=O)c3sccc3Br)cnc21 ZINC000315407854 972645597 /nfs/dbraw/zinc/64/55/97/972645597.db2.gz VOIMSACWRNPDCT-UHFFFAOYSA-N 0 2 401.311 3.637 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cc(Br)cnc2Cl)cc1F ZINC000316962626 972653934 /nfs/dbraw/zinc/65/39/34/972653934.db2.gz YNNMEBRIRKTCLP-UHFFFAOYSA-N 0 2 409.664 3.836 20 0 HHADLN CCOc1cc(NS(=O)(=O)c2ccc(Br)cc2F)ccc1OC ZINC000322661080 972702246 /nfs/dbraw/zinc/70/22/46/972702246.db2.gz BRXAUSODGJGBSD-UHFFFAOYSA-N 0 2 404.257 3.796 20 0 HHADLN O=S(=O)(Nc1cnc(-c2ccccc2)nc1)c1ccc(Br)c(F)c1 ZINC000325792760 972735580 /nfs/dbraw/zinc/73/55/80/972735580.db2.gz ZHBYKLPIXLBWHP-UHFFFAOYSA-N 0 2 408.252 3.846 20 0 HHADLN CCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000326744046 972747731 /nfs/dbraw/zinc/74/77/31/972747731.db2.gz VRPDHGAZDGHSQQ-UHFFFAOYSA-N 0 2 415.284 3.529 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc(C)cc(Br)c1 ZINC000389215231 972810526 /nfs/dbraw/zinc/81/05/26/972810526.db2.gz CORKZSABZKXLSJ-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN Cc1cccnc1OC1CCN(C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)CC1 ZINC000554821890 1014060264 /nfs/dbraw/zinc/06/02/64/1014060264.db2.gz KNKJDHVZEJIBAV-UHFFFAOYSA-N 0 2 412.877 3.618 20 0 HHADLN CCOC(=O)c1cccc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)cc2)c1 ZINC000409593886 973041607 /nfs/dbraw/zinc/04/16/07/973041607.db2.gz KCRQPTVYBKLKNZ-UHFFFAOYSA-N 0 2 419.890 3.562 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cc1 ZINC000409598365 973045615 /nfs/dbraw/zinc/04/56/15/973045615.db2.gz YFXPYFIMLZYXES-UHFFFAOYSA-N 0 2 419.890 3.562 20 0 HHADLN CC(=O)c1ccc(S(=O)(=O)Nc2c(C)cnn2Cc2cc(F)ccc2F)cc1 ZINC000409651572 973102241 /nfs/dbraw/zinc/10/22/41/973102241.db2.gz YGRQOBBQPYXNGA-UHFFFAOYSA-N 0 2 405.426 3.521 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)Cc3ccc(F)cc3)s2)c1 ZINC000409664158 973121187 /nfs/dbraw/zinc/12/11/87/973121187.db2.gz DHHPQYSRICZUQW-UHFFFAOYSA-N 0 2 420.487 3.602 20 0 HHADLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3c(C)oc(C)c3C(=O)OC)sc2C1 ZINC000409666332 973123534 /nfs/dbraw/zinc/12/35/34/973123534.db2.gz OBRDNDAUWVUXQJ-GFCCVEGCSA-N 0 2 412.533 3.845 20 0 HHADLN COc1ccc(Br)c(CS(=O)(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000410327860 973890875 /nfs/dbraw/zinc/89/08/75/973890875.db2.gz WZLUCQLCWIWXGC-UHFFFAOYSA-N 0 2 417.350 3.735 20 0 HHADLN CC1(C)Cc2cccc(S(=O)(=O)Nc3nnc(CCCc4cccs4)o3)c2O1 ZINC000410335636 973915363 /nfs/dbraw/zinc/91/53/63/973915363.db2.gz URUOKJPHXMPEHY-UHFFFAOYSA-N 0 2 419.528 3.821 20 0 HHADLN CC1(C)Cc2cccc(S(=O)(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)c2O1 ZINC000410340019 973923619 /nfs/dbraw/zinc/92/36/19/973923619.db2.gz KELUEFMLIWGEHU-UHFFFAOYSA-N 0 2 406.529 3.813 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3cc(-c4ccncc4)nn3C)c2)n1 ZINC000410344830 973932431 /nfs/dbraw/zinc/93/24/31/973932431.db2.gz ZRSVRMGPAGSESI-UHFFFAOYSA-N 0 2 411.512 3.715 20 0 HHADLN CCCNC(=O)c1cccc(NS(=O)(=O)c2cccc(Br)c2F)c1 ZINC000410366526 973959908 /nfs/dbraw/zinc/95/99/08/973959908.db2.gz OQPFNGLLDKHAAC-UHFFFAOYSA-N 0 2 415.284 3.529 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1cccc(Br)c1F ZINC000410396252 973995128 /nfs/dbraw/zinc/99/51/28/973995128.db2.gz BPMLGKGJCCVNHK-UHFFFAOYSA-N 0 2 408.270 3.546 20 0 HHADLN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1csc(COc2ccccc2)n1 ZINC000426676025 974595401 /nfs/dbraw/zinc/59/54/01/974595401.db2.gz YFNCHKKRHZNFST-FQEVSTJZSA-N 0 2 407.495 3.989 20 0 HHADLN COc1cc(Br)c(C[NH2+][C@@H](C(=O)[O-])c2c(F)cccc2F)cc1OC ZINC000426760298 974639689 /nfs/dbraw/zinc/63/96/89/974639689.db2.gz ZLYBSPLSBSFUSG-MRXNPFEDSA-N 0 2 416.218 3.660 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](c3ccco3)c3ccccc3OC)=N2)cc1 ZINC000426961047 974780811 /nfs/dbraw/zinc/78/08/11/974780811.db2.gz WXLHZFYXSSGQDP-NRFANRHFSA-N 0 2 419.437 3.708 20 0 HHADLN O=S(=O)(Nc1cccc(-n2cccn2)c1)c1cccc(OC(F)(F)F)c1F ZINC000427102131 974904864 /nfs/dbraw/zinc/90/48/64/974904864.db2.gz FDWLXSGUASTQLA-UHFFFAOYSA-N 0 2 401.341 3.711 20 0 HHADLN COC(=O)CCc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1 ZINC000427198194 974972269 /nfs/dbraw/zinc/97/22/69/974972269.db2.gz SUVHWCSMQBKMOM-UHFFFAOYSA-N 0 2 421.368 3.631 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)cnn1C ZINC000427209609 974979889 /nfs/dbraw/zinc/97/98/89/974979889.db2.gz DICXBRHOOAUMQC-UHFFFAOYSA-N 0 2 407.927 3.666 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427353080 975072191 /nfs/dbraw/zinc/07/21/91/975072191.db2.gz VUMIBUVFIXDKQY-UHFFFAOYSA-N 0 2 413.370 3.682 20 0 HHADLN CCn1ncc(C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)c1-c1ccccc1 ZINC000427599194 975206993 /nfs/dbraw/zinc/20/69/93/975206993.db2.gz NATHANABGJAJRN-UHFFFAOYSA-N 0 2 405.483 3.771 20 0 HHADLN CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)cc1 ZINC000427648441 975224023 /nfs/dbraw/zinc/22/40/23/975224023.db2.gz ZGCXWTFUBDJTCW-UHFFFAOYSA-N 0 2 419.865 3.702 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cnn1C ZINC000427761401 975274059 /nfs/dbraw/zinc/27/40/59/975274059.db2.gz PJXSETNKMNWMPU-UHFFFAOYSA-N 0 2 417.343 3.883 20 0 HHADLN O=S(=O)(Nc1ccc(N2CCCC2)nc1)c1cccc(OC(F)(F)F)c1F ZINC000427797408 975294514 /nfs/dbraw/zinc/29/45/14/975294514.db2.gz KVVPOCBIRYFLTM-UHFFFAOYSA-N 0 2 405.373 3.520 20 0 HHADLN CC(C)c1nnc(CN(C)c2cccc3c2CCCN3Cc2n[nH]c(C(C)C)n2)[nH]1 ZINC000428295666 975607311 /nfs/dbraw/zinc/60/73/11/975607311.db2.gz SLSIVKNCJZSBGC-UHFFFAOYSA-N 0 2 408.554 3.759 20 0 HHADLN CC(C)c1nnc(CN2CCCc3c(N(C)Cc4n[nH]c(C(C)C)n4)cccc32)[nH]1 ZINC000428295666 975607317 /nfs/dbraw/zinc/60/73/17/975607317.db2.gz SLSIVKNCJZSBGC-UHFFFAOYSA-N 0 2 408.554 3.759 20 0 HHADLN COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000428635134 975936560 /nfs/dbraw/zinc/93/65/60/975936560.db2.gz VBWMDHROHDLFHS-QGZVFWFLSA-N 0 2 403.841 3.830 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cc2sccc2[nH]1 ZINC000429813696 977086742 /nfs/dbraw/zinc/08/67/42/977086742.db2.gz ZMJBUTDYYRNVIV-UHFFFAOYSA-N 0 2 404.498 3.739 20 0 HHADLN O=S(=O)(Nc1noc(-c2ccccc2Cl)n1)c1ccc(Br)cc1 ZINC000430066566 977305231 /nfs/dbraw/zinc/30/52/31/977305231.db2.gz RDDUZCSLEUIWEX-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2ccnc3c(Cl)cc(Br)cc23)cn1 ZINC000430082282 977311943 /nfs/dbraw/zinc/31/19/43/977311943.db2.gz SBVCHGJTCKKBJK-UHFFFAOYSA-N 0 2 415.700 3.668 20 0 HHADLN C[C@@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000430275068 977440639 /nfs/dbraw/zinc/44/06/39/977440639.db2.gz SRBBTEAJCFZHCR-HXUWFJFHSA-N 0 2 423.296 3.713 20 0 HHADLN Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)c1 ZINC000430378727 977513313 /nfs/dbraw/zinc/51/33/13/977513313.db2.gz SPMJIVCFXVCMHO-UHFFFAOYSA-N 0 2 409.511 3.771 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCC(c2ncccc2Cl)CC1 ZINC000430505413 977605801 /nfs/dbraw/zinc/60/58/01/977605801.db2.gz QMKJMZLITJBSLN-UHFFFAOYSA-N 0 2 400.841 3.785 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N[C@H](Cc2nc(C)no2)c2ccccc2)=N1 ZINC000430683950 977693453 /nfs/dbraw/zinc/69/34/53/977693453.db2.gz LQZGPHXUEHYDDJ-GOSISDBHSA-N 0 2 417.469 3.546 20 0 HHADLN Cc1cc(C)c(S(=O)(=O)Nc2cccc(NC(=O)[C@H](C)n3cccn3)c2)s1 ZINC000431181532 978080450 /nfs/dbraw/zinc/08/04/50/978080450.db2.gz SDDLFLDODZDWRW-AWEZNQCLSA-N 0 2 404.517 3.562 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)c1 ZINC000431317761 978202607 /nfs/dbraw/zinc/20/26/07/978202607.db2.gz HUPSIXWMEZVHAU-UHFFFAOYSA-N 0 2 405.501 3.640 20 0 HHADLN Cc1nc(N2CCOCC2)ccc1NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000431317960 978203557 /nfs/dbraw/zinc/20/35/57/978203557.db2.gz IDLKTEIDAGXGKB-UHFFFAOYSA-N 0 2 417.918 3.834 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)cc1 ZINC000431329238 978214401 /nfs/dbraw/zinc/21/44/01/978214401.db2.gz ZZOMXSPLUQQNFF-UHFFFAOYSA-N 0 2 416.528 3.971 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(SCc3cccs3)s2)cc1F ZINC000431333636 978217728 /nfs/dbraw/zinc/21/77/28/978217728.db2.gz SDFOYAUBTQAKSG-UHFFFAOYSA-N 0 2 417.534 3.840 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cccc(C(=O)OC)c2)cnn1-c1ccc(F)cc1 ZINC000432051519 978661678 /nfs/dbraw/zinc/66/16/78/978661678.db2.gz FRXALIKWQVINTD-UHFFFAOYSA-N 0 2 417.462 3.551 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C)cnn1-c1ccccc1C ZINC000432052614 978662087 /nfs/dbraw/zinc/66/20/87/978662087.db2.gz AQMOBBJIEXNJSZ-UHFFFAOYSA-N 0 2 424.530 3.524 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cnn1-c1ccc(F)cc1 ZINC000432082838 978673158 /nfs/dbraw/zinc/67/31/58/978673158.db2.gz WESVMKMILBQQGT-UHFFFAOYSA-N 0 2 416.434 3.612 20 0 HHADLN CC(C)(C)c1ncc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)cn1 ZINC000432083765 978673615 /nfs/dbraw/zinc/67/36/15/978673615.db2.gz ZJVXUDHZUAOIBX-UHFFFAOYSA-N 0 2 404.717 3.991 20 0 HHADLN O=S(=O)(Nc1nnc(C(F)F)s1)c1ccc(Cl)c(Br)c1 ZINC000432350859 978771998 /nfs/dbraw/zinc/77/19/98/978771998.db2.gz GCBUOZILWXGDAZ-UHFFFAOYSA-N 0 2 404.645 3.692 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2c(Cl)cccc2Cl)sc1C1CC1 ZINC000432356437 978775430 /nfs/dbraw/zinc/77/54/30/978775430.db2.gz DDQNHKIMOVDNLX-UHFFFAOYSA-N 0 2 407.300 3.915 20 0 HHADLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)c1 ZINC000432367778 978780583 /nfs/dbraw/zinc/78/05/83/978780583.db2.gz JBHMIOWHUZRWTH-UHFFFAOYSA-N 0 2 422.459 3.545 20 0 HHADLN COCc1cccc(S(=O)(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)c1 ZINC000432534302 978870232 /nfs/dbraw/zinc/87/02/32/978870232.db2.gz DKBSIACPDROFBJ-GOSISDBHSA-N 0 2 415.540 3.954 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)cn1 ZINC000432621424 978913812 /nfs/dbraw/zinc/91/38/12/978913812.db2.gz VVJFMXBZHZOXKY-UHFFFAOYSA-N 0 2 402.863 3.816 20 0 HHADLN COc1ccc(Cl)cc1NS(=O)(=O)c1cc(N(C)C)ccc1Br ZINC000432745894 978956831 /nfs/dbraw/zinc/95/68/31/978956831.db2.gz XJILBORTZGOQSQ-UHFFFAOYSA-N 0 2 419.728 3.978 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc(C)c(Br)c3)cnc2c1Cl ZINC000432758118 978961348 /nfs/dbraw/zinc/96/13/48/978961348.db2.gz OYCHEWLOAJIDNX-UHFFFAOYSA-N 0 2 415.700 3.563 20 0 HHADLN COc1cccc(-c2cc(NS(=O)(=O)c3cc(Cl)c(OC)cc3C)n(C)n2)c1 ZINC000432947465 979019430 /nfs/dbraw/zinc/01/94/30/979019430.db2.gz CWVRSRFJKRYCMM-UHFFFAOYSA-N 0 2 421.906 3.867 20 0 HHADLN Cc1c(Br)cccc1S(=O)(=O)Nc1noc(Cc2ccccc2)n1 ZINC000432948236 979019604 /nfs/dbraw/zinc/01/96/04/979019604.db2.gz GZFDPQJEGYNIDB-UHFFFAOYSA-N 0 2 408.277 3.532 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2noc(Cc3ccccc3)n2)cc1Br ZINC000432952621 979021487 /nfs/dbraw/zinc/02/14/87/979021487.db2.gz YLNTUFJBMVOQAV-UHFFFAOYSA-N 0 2 408.277 3.532 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)cc1 ZINC000432964677 979027075 /nfs/dbraw/zinc/02/70/75/979027075.db2.gz ISCQHOJUQNEPFP-UHFFFAOYSA-N 0 2 420.441 3.515 20 0 HHADLN COc1ccc(-c2nc(C)c(C(=O)Nc3nc(-c4ccncc4)n[nH]3)s2)c(F)c1 ZINC000433081035 979063000 /nfs/dbraw/zinc/06/30/00/979063000.db2.gz DUIBOKHKZJERLY-UHFFFAOYSA-N 0 2 410.434 3.699 20 0 HHADLN CCC(CC)n1nccc1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000433090840 979068560 /nfs/dbraw/zinc/06/85/60/979068560.db2.gz SWCWKUHDUBHYBI-UHFFFAOYSA-N 0 2 419.532 3.754 20 0 HHADLN CC(C)n1nc(-c2ccco2)cc1NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000433166762 979112200 /nfs/dbraw/zinc/11/22/00/979112200.db2.gz GVHBDTQWQOEFGE-UHFFFAOYSA-N 0 2 418.450 3.549 20 0 HHADLN Cc1cc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)n(C2CCOCC2)n1 ZINC000433371963 979259659 /nfs/dbraw/zinc/25/96/59/979259659.db2.gz NMYGJYWXZJCOGI-UHFFFAOYSA-N 0 2 404.319 3.959 20 0 HHADLN CN(C)C(=O)COc1ccc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)cc1 ZINC000433530982 979361217 /nfs/dbraw/zinc/36/12/17/979361217.db2.gz UDQWICDBFYORAB-UHFFFAOYSA-N 0 2 424.931 3.823 20 0 HHADLN C[S@@](=O)c1cccc(NS(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000433594080 979411225 /nfs/dbraw/zinc/41/12/25/979411225.db2.gz BSMHRGNIKNDARN-LJQANCHMSA-N 0 2 414.755 3.702 20 0 HHADLN O=S(=O)(Nc1cccc(-c2nc[nH]n2)c1)c1cc(Br)sc1Cl ZINC000433601082 979416613 /nfs/dbraw/zinc/41/66/13/979416613.db2.gz XGVLQXZFGGQCNQ-UHFFFAOYSA-N 0 2 419.713 3.750 20 0 HHADLN CC(=O)N(C)c1cccc(NS(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000433617678 979429285 /nfs/dbraw/zinc/42/92/85/979429285.db2.gz MKAKDUYTCPIDIA-UHFFFAOYSA-N 0 2 423.741 3.948 20 0 HHADLN Cc1ccc([C@]2(C)CCN(C(=O)NCc3nnc(COc4ccccc4)[nH]3)C2)cc1 ZINC000434375255 980121934 /nfs/dbraw/zinc/12/19/34/980121934.db2.gz UUVDJFGBOPMWKP-HSZRJFAPSA-N 0 2 405.502 3.565 20 0 HHADLN O=c1nc(CN2C[C@H](O)Cc3ccccc32)[nH]c2cc(-c3ccc(F)cc3)sc21 ZINC000434666979 980329362 /nfs/dbraw/zinc/32/93/62/980329362.db2.gz VRYOFNOOSFJLHU-MRXNPFEDSA-N 0 2 407.470 3.714 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2C)cc1OCC ZINC000435141241 980673811 /nfs/dbraw/zinc/67/38/11/980673811.db2.gz YGAHJLCOCPRUFW-UHFFFAOYSA-N 0 2 419.478 3.918 20 0 HHADLN O=S(=O)(Nc1cnn(Cc2ccncc2)c1)c1c(Cl)cc(F)cc1Cl ZINC000435483745 980895205 /nfs/dbraw/zinc/89/52/05/980895205.db2.gz MJYDHSPVMVIKFY-UHFFFAOYSA-N 0 2 401.250 3.573 20 0 HHADLN O=C1C[C@H](c2cccc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)c2)CN1 ZINC000435486614 980897587 /nfs/dbraw/zinc/89/75/87/980897587.db2.gz IZLGRGOKQQKAQH-JTQLQIEISA-N 0 2 403.262 3.537 20 0 HHADLN CN(C)C(=O)c1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)ccc1F ZINC000435502520 980906619 /nfs/dbraw/zinc/90/66/19/980906619.db2.gz ROWFPEQNXSZURU-UHFFFAOYSA-N 0 2 409.241 3.774 20 0 HHADLN COc1cc(C)c(NS(=O)(=O)c2cnn(-c3cc(Cl)ccc3OC)c2)cc1C ZINC000435731734 981007229 /nfs/dbraw/zinc/00/72/29/981007229.db2.gz LQHPZSWSSJEQIR-UHFFFAOYSA-N 0 2 421.906 3.961 20 0 HHADLN C[C@H]1[C@@H](c2ccccc2)[C@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000435756992 981017933 /nfs/dbraw/zinc/01/79/33/981017933.db2.gz WSYBWDCUQVNLNP-KKXDTOCCSA-N 0 2 413.524 3.932 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)cn1 ZINC000436007497 981150049 /nfs/dbraw/zinc/15/00/49/981150049.db2.gz YOKQZXJNTJGEBG-UHFFFAOYSA-N 0 2 412.092 3.960 20 0 HHADLN CCc1nnc(-c2ccc(NS(=O)(=O)c3cnc(-c4ccccc4)nc3)cc2)o1 ZINC000436009545 981152162 /nfs/dbraw/zinc/15/21/62/981152162.db2.gz VGDFVKXHBAQOMR-UHFFFAOYSA-N 0 2 407.455 3.557 20 0 HHADLN Cc1cc(C)n(-c2cccc(NS(=O)(=O)c3cnc(-c4ccccc4)nc3)c2)n1 ZINC000436012088 981153717 /nfs/dbraw/zinc/15/37/17/981153717.db2.gz GOSZCSBJXABGPG-UHFFFAOYSA-N 0 2 405.483 3.747 20 0 HHADLN Cn1ccnc1Sc1ccccc1NS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000436019053 981158968 /nfs/dbraw/zinc/15/89/68/981158968.db2.gz VDWBCOBYZRJUBS-UHFFFAOYSA-N 0 2 423.523 3.829 20 0 HHADLN O=S(=O)(Nc1cccc(Cl)c1-n1cccn1)c1cnc(-c2ccccc2)nc1 ZINC000436026585 981165117 /nfs/dbraw/zinc/16/51/17/981165117.db2.gz PGBARFNLXPBRPN-UHFFFAOYSA-N 0 2 411.874 3.784 20 0 HHADLN Cn1ncc(NS(=O)(=O)c2cc(Br)ccc2Cl)c1C(F)(F)F ZINC000436162769 981228495 /nfs/dbraw/zinc/22/84/95/981228495.db2.gz GANFAYNMTFMOJB-UHFFFAOYSA-N 0 2 418.622 3.656 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000436523829 981416816 /nfs/dbraw/zinc/41/68/16/981416816.db2.gz CSFBAGTXJTWHPN-AWEZNQCLSA-N 0 2 416.758 3.517 20 0 HHADLN Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)c2cc(F)c(O)c(F)c2)CC1 ZINC000436523991 981416857 /nfs/dbraw/zinc/41/68/57/981416857.db2.gz XSRFFZFOJFQZMC-UHFFFAOYSA-N 0 2 416.449 3.792 20 0 HHADLN CCOC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)cc(Cl)c1O)C1CCOCC1 ZINC000436524296 981417657 /nfs/dbraw/zinc/41/76/57/981417657.db2.gz GIYRWBGSMHDWOT-IBGZPJMESA-N 0 2 417.889 3.801 20 0 HHADLN O=C(N[C@@H]1CS(=O)(=O)c2ccccc21)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436525594 981418500 /nfs/dbraw/zinc/41/85/00/981418500.db2.gz BBSJFDGWMGFPEC-GOSISDBHSA-N 0 2 413.882 3.971 20 0 HHADLN O=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)c1cc(F)c(O)c(F)c1 ZINC000436529246 981421932 /nfs/dbraw/zinc/42/19/32/981421932.db2.gz KJZJTNQANCXFGF-LLVKDONJSA-N 0 2 411.246 3.689 20 0 HHADLN O=C(NCc1ccccc1F)c1ccc(NC(=O)c2cc(F)c(O)c(F)c2)cc1 ZINC000436533087 981425227 /nfs/dbraw/zinc/42/52/27/981425227.db2.gz LTKJGRSBGQWDLT-UHFFFAOYSA-N 0 2 400.356 3.992 20 0 HHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000436534829 981426031 /nfs/dbraw/zinc/42/60/31/981426031.db2.gz YEQARZSPHVXWCP-UHFFFAOYSA-N 0 2 415.223 3.575 20 0 HHADLN O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccc(Br)cc1[O-] ZINC000436536081 981426619 /nfs/dbraw/zinc/42/66/19/981426619.db2.gz CPIHFEFQIRBAEJ-UHFFFAOYSA-N 0 2 407.333 3.956 20 0 HHADLN C[C@@H](NC(=O)c1cc(F)cc(Br)c1O)c1ccc(Br)cn1 ZINC000436541746 981431096 /nfs/dbraw/zinc/43/10/96/981431096.db2.gz ZQNNNZVVTUANTB-SSDOTTSWSA-N 0 2 418.060 3.942 20 0 HHADLN O=C(c1ccc(Br)cc1O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 ZINC000436608490 981472247 /nfs/dbraw/zinc/47/22/47/981472247.db2.gz UJPQXEXRSFVGSN-OAHLLOKOSA-N 0 2 413.275 3.917 20 0 HHADLN Cc1nn(C)c(C)c1CCCNC(=O)c1cc(Cl)cc(Br)c1O ZINC000436621632 981479184 /nfs/dbraw/zinc/47/91/84/981479184.db2.gz ANKKXCKEWSNJNS-UHFFFAOYSA-N 0 2 400.704 3.521 20 0 HHADLN C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436622582 981479683 /nfs/dbraw/zinc/47/96/83/981479683.db2.gz DQGGRXSJORUWJP-YJBOKZPZSA-N 0 2 400.906 3.648 20 0 HHADLN C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436622568 981479740 /nfs/dbraw/zinc/47/97/40/981479740.db2.gz DQGGRXSJORUWJP-CRAIPNDOSA-N 0 2 400.906 3.648 20 0 HHADLN Cc1csc(N2CCN(C(=O)c3cc(Cl)cc(Br)c3O)CC2)n1 ZINC000436633286 981484308 /nfs/dbraw/zinc/48/43/08/981484308.db2.gz AGLUGMMUCOPQOW-UHFFFAOYSA-N 0 2 416.728 3.535 20 0 HHADLN O=C(Nc1nccn1Cc1ccc(Br)cc1)c1cc(F)c(O)c(F)c1 ZINC000436638375 981487770 /nfs/dbraw/zinc/48/77/70/981487770.db2.gz HJESVUAUYOXNMX-UHFFFAOYSA-N 0 2 408.202 3.930 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1O ZINC000436649441 981491655 /nfs/dbraw/zinc/49/16/55/981491655.db2.gz SIXXMROTAJSZOK-UHFFFAOYSA-N 0 2 409.769 3.652 20 0 HHADLN CCC(=O)c1ccc(O)c(NC(=O)c2ccc(I)c(O)c2)c1 ZINC000436652725 981493285 /nfs/dbraw/zinc/49/32/85/981493285.db2.gz QDPCMYPOAZWNCK-UHFFFAOYSA-N 0 2 411.195 3.547 20 0 HHADLN COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436654469 981493916 /nfs/dbraw/zinc/49/39/16/981493916.db2.gz ACOZUQWZSSQWGH-AWEZNQCLSA-N 0 2 401.768 3.936 20 0 HHADLN CN(CC(=O)Nc1ccccc1Br)C(=O)c1cc(F)cc(Cl)c1O ZINC000436702766 981521286 /nfs/dbraw/zinc/52/12/86/981521286.db2.gz BQMNBBOYMAALRQ-UHFFFAOYSA-N 0 2 415.646 3.658 20 0 HHADLN C[C@@H]1CN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])[C@@H](C)C[N@@H+]1C ZINC000436715089 981527449 /nfs/dbraw/zinc/52/74/49/981527449.db2.gz HUSSUGGTESVKGS-NEPJUHHUSA-N 0 2 407.923 3.524 20 0 HHADLN C[C@@H]1CN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])[C@@H](C)C[N@H+]1C ZINC000436715089 981527453 /nfs/dbraw/zinc/52/74/53/981527453.db2.gz HUSSUGGTESVKGS-NEPJUHHUSA-N 0 2 407.923 3.524 20 0 HHADLN CN(Cc1nc(-c2cccs2)no1)C(=O)c1cc(F)cc(Br)c1O ZINC000436714970 981527513 /nfs/dbraw/zinc/52/75/13/981527513.db2.gz VRBHAMYAASXVIW-UHFFFAOYSA-N 0 2 412.240 3.678 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000436762017 981550836 /nfs/dbraw/zinc/55/08/36/981550836.db2.gz AYVRZHBVOYVQNV-NSHDSACASA-N 0 2 404.747 3.892 20 0 HHADLN O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1cc(F)cc(Cl)c1O ZINC000436765680 981553063 /nfs/dbraw/zinc/55/30/63/981553063.db2.gz BEYIVWGJNOVSJN-UHFFFAOYSA-N 0 2 423.153 3.830 20 0 HHADLN COC(=O)CCN(Cc1cccc(F)c1F)C(=O)c1cc(F)cc(Cl)c1O ZINC000436792671 981564180 /nfs/dbraw/zinc/56/41/80/981564180.db2.gz OWYRULGBWYXAOQ-UHFFFAOYSA-N 0 2 401.768 3.668 20 0 HHADLN O=C(N[C@H]1CCO[C@]2(CCSC2)C1)c1cc(Cl)cc(Br)c1O ZINC000436808160 981570783 /nfs/dbraw/zinc/57/07/83/981570783.db2.gz NGTNCQSTSJMJEH-ZUZCIYMTSA-N 0 2 406.729 3.593 20 0 HHADLN CN(Cc1ccc(Br)o1)C(=O)c1cc(F)cc(Br)c1O ZINC000436850153 981589411 /nfs/dbraw/zinc/58/94/11/981589411.db2.gz YXKXLGIWGRMPAZ-UHFFFAOYSA-N 0 2 407.033 3.922 20 0 HHADLN CN(CCCOc1ccc(F)cc1)C(=O)c1cc(F)cc(Br)c1O ZINC000436849699 981589470 /nfs/dbraw/zinc/58/94/70/981589470.db2.gz UWYVJEOCLQGZME-UHFFFAOYSA-N 0 2 400.219 3.974 20 0 HHADLN O=C(NCc1ccc(N2CCCCC2)nc1)c1cc(F)cc(Br)c1O ZINC000436850122 981589539 /nfs/dbraw/zinc/58/95/39/981589539.db2.gz YMOJCXHKQNFFOK-UHFFFAOYSA-N 0 2 408.271 3.609 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000436852195 981591514 /nfs/dbraw/zinc/59/15/14/981591514.db2.gz OFAOLCGCGXQGLJ-JTQLQIEISA-N 0 2 410.243 3.574 20 0 HHADLN CC(C)(C)OCc1cc(CNC(=O)c2cc(F)cc(Br)c2O)no1 ZINC000436856718 981594059 /nfs/dbraw/zinc/59/40/59/981594059.db2.gz ZCHSVMOOOIIVQN-UHFFFAOYSA-N 0 2 401.232 3.527 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CC[C@@H](n2ncc3ccccc32)C1 ZINC000436856401 981594102 /nfs/dbraw/zinc/59/41/02/981594102.db2.gz XSTLKXNQSXCNGA-CYBMUJFWSA-N 0 2 404.239 3.731 20 0 HHADLN Cc1ccccc1-c1nc(CNC(=O)c2cc(F)cc(Br)c2O)no1 ZINC000436859588 981595303 /nfs/dbraw/zinc/59/53/03/981595303.db2.gz SVAMDVBFUNMSAX-UHFFFAOYSA-N 0 2 406.211 3.582 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000436886631 981601795 /nfs/dbraw/zinc/60/17/95/981601795.db2.gz HMQXYTKOHZZMMD-BMIGLBTASA-N 0 2 416.193 3.520 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000436888466 981602191 /nfs/dbraw/zinc/60/21/91/981602191.db2.gz SJAYWYUEIFXCTM-AWEZNQCLSA-N 0 2 409.255 3.510 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(O)c(-c3nc(C(C)(C)C)no3)c2)cc1 ZINC000436892724 981603439 /nfs/dbraw/zinc/60/34/39/981603439.db2.gz MEKXXTKVTGEGDS-UHFFFAOYSA-N 0 2 403.460 3.549 20 0 HHADLN Cc1nc(C[N@@H+](C)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3[O-])CC2)no1 ZINC000436918254 981622805 /nfs/dbraw/zinc/62/28/05/981622805.db2.gz FSBUJHATNLRWQZ-LBPRGKRZSA-N 0 2 413.305 3.517 20 0 HHADLN Cc1nc(C[N@H+](C)[C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3[O-])CC2)no1 ZINC000436918254 981622809 /nfs/dbraw/zinc/62/28/09/981622809.db2.gz FSBUJHATNLRWQZ-LBPRGKRZSA-N 0 2 413.305 3.517 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCCN(CC(F)(F)F)CC1 ZINC000436932243 981630865 /nfs/dbraw/zinc/63/08/65/981630865.db2.gz MUSDMYARDQUIQV-UHFFFAOYSA-N 0 2 415.637 3.518 20 0 HHADLN Cc1ccc(NC(=O)c2cc(F)c(O)c(F)c2)cc1S(=O)(=O)N1CCCCCC1 ZINC000436958791 981647842 /nfs/dbraw/zinc/64/78/42/981647842.db2.gz CTFHPKINKYPQHM-UHFFFAOYSA-N 0 2 424.469 3.796 20 0 HHADLN COc1cc([C@@H](NC(=O)c2cc(F)c(O)c(F)c2)C(F)(F)F)cc(OC)c1OC ZINC000436967624 981654730 /nfs/dbraw/zinc/65/47/30/981654730.db2.gz QMBNQMDQWBRJBR-MRXNPFEDSA-N 0 2 421.318 3.730 20 0 HHADLN COc1cc(Br)ccc1CCCNC(=O)c1cc(F)c(O)c(F)c1 ZINC000436973913 981659503 /nfs/dbraw/zinc/65/95/03/981659503.db2.gz ZQEXJRRXJKEUPQ-UHFFFAOYSA-N 0 2 400.219 3.804 20 0 HHADLN COc1cccc(Cn2nccc2NS(=O)(=O)c2cccc3ccccc32)c1OC ZINC000437165880 981817847 /nfs/dbraw/zinc/81/78/47/981817847.db2.gz HUTHAWWAPVIERZ-UHFFFAOYSA-N 0 2 423.494 3.903 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc(F)cc1Cl ZINC000437175552 981831067 /nfs/dbraw/zinc/83/10/67/981831067.db2.gz INMPZXNIIYFCGR-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN CCCCCc1nnc(NS(=O)(=O)c2ccc(F)c(Br)c2)s1 ZINC000437175982 981831927 /nfs/dbraw/zinc/83/19/27/981831927.db2.gz LKVDTLMIVQQUON-UHFFFAOYSA-N 0 2 408.318 3.973 20 0 HHADLN CCc1nnc(NS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)s1 ZINC000437179503 981835623 /nfs/dbraw/zinc/83/56/23/981835623.db2.gz KUBDYJVSVOVBEH-UHFFFAOYSA-N 0 2 416.244 3.683 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCc1cccnc1OC1CCCC1 ZINC000460127121 981901958 /nfs/dbraw/zinc/90/19/58/981901958.db2.gz KKBZQYGWAPWFCV-UHFFFAOYSA-N 0 2 401.517 3.727 20 0 HHADLN COC(=O)c1cc(Br)cc(S(=O)(=O)Nc2ncc(C(C)C)s2)c1 ZINC000437306385 981958103 /nfs/dbraw/zinc/95/81/03/981958103.db2.gz PSOCNDWHCCJYET-UHFFFAOYSA-N 0 2 419.322 3.616 20 0 HHADLN COCc1csc(NS(=O)(=O)c2ccc(OCC(F)F)c3ccccc32)n1 ZINC000437330960 981982396 /nfs/dbraw/zinc/98/23/96/981982396.db2.gz GMOWXGSGBNSMEX-UHFFFAOYSA-N 0 2 414.455 3.887 20 0 HHADLN CC(C)(C)c1cnc(NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)s1 ZINC000437332443 981983083 /nfs/dbraw/zinc/98/30/83/981983083.db2.gz JICHKULBLNBWBI-UHFFFAOYSA-N 0 2 421.466 3.534 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2ncc(C(C)C)s2)cc1OC ZINC000437337488 981987617 /nfs/dbraw/zinc/98/76/17/981987617.db2.gz BKUCXXMJZMMKBJ-UHFFFAOYSA-N 0 2 421.338 3.847 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ncc(Cc3ccc(C)c(C)c3)s2)cs1 ZINC000437340201 981990344 /nfs/dbraw/zinc/99/03/44/981990344.db2.gz JVYKOKSDTFRXLN-UHFFFAOYSA-N 0 2 422.553 4.000 20 0 HHADLN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2nc3cc4c(cc3s2)OCCO4)cc1 ZINC000437407206 982051004 /nfs/dbraw/zinc/05/10/04/982051004.db2.gz OQETZHROHNOCLK-UHFFFAOYSA-N 0 2 418.496 3.707 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2nc3c(cc(C)cc3C)s2)cn1 ZINC000437413314 982055120 /nfs/dbraw/zinc/05/51/20/982055120.db2.gz QREVBMFYDGEGOP-UHFFFAOYSA-N 0 2 414.512 3.908 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ncc(Cc3ccccc3F)s2)cs1 ZINC000437419566 982060983 /nfs/dbraw/zinc/06/09/83/982060983.db2.gz JSWZQQDOMXWCPY-UHFFFAOYSA-N 0 2 412.489 3.522 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2nc3ccccc3s2)cn1 ZINC000437421572 982061437 /nfs/dbraw/zinc/06/14/37/982061437.db2.gz OCBZJRMLNMVCDO-UHFFFAOYSA-N 0 2 420.903 3.945 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)c1C ZINC000437423892 982064320 /nfs/dbraw/zinc/06/43/20/982064320.db2.gz VDIQBVOATNNDTI-UHFFFAOYSA-N 0 2 408.524 3.815 20 0 HHADLN Cc1nnc(-c2cccc(NC(=O)CCNC(=O)C34CC5CC(CC(C5)C3)C4)c2)o1 ZINC000460384599 982162995 /nfs/dbraw/zinc/16/29/95/982162995.db2.gz XUACIFQVWCNXMV-UHFFFAOYSA-N 0 2 408.502 3.706 20 0 HHADLN COc1cc(C)c(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1OC ZINC000460419317 982205894 /nfs/dbraw/zinc/20/58/94/982205894.db2.gz JGHXFLUGRNROCY-UHFFFAOYSA-N 0 2 421.906 3.961 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cccc(-n3cccn3)c2)cnn1-c1ccc(Cl)cc1 ZINC000460423451 982210965 /nfs/dbraw/zinc/21/09/65/982210965.db2.gz HYPNJVWDPBZPOJ-UHFFFAOYSA-N 0 2 413.890 3.821 20 0 HHADLN O=S(=O)(Nc1cccc(OCc2cccnc2)c1)c1cnn(-c2ccccc2F)c1 ZINC000460447652 982240814 /nfs/dbraw/zinc/24/08/14/982240814.db2.gz YKWRSICHHQCNPW-UHFFFAOYSA-N 0 2 424.457 3.786 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccccc2Cl)nc1C(F)(F)F ZINC000460521873 982309848 /nfs/dbraw/zinc/30/98/48/982309848.db2.gz HRPACLSUKPOYFB-UHFFFAOYSA-N 0 2 414.814 3.793 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)c(F)c2)o1)c1ccccc1C(F)(F)F ZINC000460542586 982329385 /nfs/dbraw/zinc/32/93/85/982329385.db2.gz FMASUBXOINRZHV-UHFFFAOYSA-N 0 2 405.304 3.834 20 0 HHADLN Cc1ccc(CS(=O)(=O)Nc2ncccc2C(=O)c2ccc(F)cc2)c(F)c1 ZINC000460580101 982364752 /nfs/dbraw/zinc/36/47/52/982364752.db2.gz VOANVHDYHYTHFU-UHFFFAOYSA-N 0 2 402.422 3.841 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cnc3n2CCC3)sc1Cc1ccccc1Cl ZINC000437934304 982471312 /nfs/dbraw/zinc/47/13/12/982471312.db2.gz PHRXNFSSHDMSTC-UHFFFAOYSA-N 0 2 408.936 3.639 20 0 HHADLN CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000460825745 982577180 /nfs/dbraw/zinc/57/71/80/982577180.db2.gz ZZCSPEDAXYIBAL-UHFFFAOYSA-N 0 2 418.906 3.902 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cccnc2OC(C)C)cnn1-c1ccc(Cl)cc1 ZINC000460834008 982583924 /nfs/dbraw/zinc/58/39/24/982583924.db2.gz SKFUTYPRIMIRGQ-UHFFFAOYSA-N 0 2 406.895 3.817 20 0 HHADLN O=c1nc(CN2CCO[C@H](c3ccco3)C2)[nH]c2cc(-c3ccc(F)cc3)sc21 ZINC000438551227 982891035 /nfs/dbraw/zinc/89/10/35/982891035.db2.gz DMJIBXGFNCVYEF-KRWDZBQOSA-N 0 2 411.458 3.957 20 0 HHADLN CCSCc1cccc(NS(=O)(=O)c2cnn(-c3ccccc3OC)c2)c1 ZINC000438762263 983053772 /nfs/dbraw/zinc/05/37/72/983053772.db2.gz VMIAEOSXIQJKCE-UHFFFAOYSA-N 0 2 403.529 3.935 20 0 HHADLN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(F)cc3OCC3CC3)cc2o1 ZINC000438765163 983056358 /nfs/dbraw/zinc/05/63/58/983056358.db2.gz HOZSSMGQDUKFFB-UHFFFAOYSA-N 0 2 412.826 3.503 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc3[nH]ccc32)c(Br)c1 ZINC000438766015 983057230 /nfs/dbraw/zinc/05/72/30/983057230.db2.gz QLGRFJFXAQJOOT-UHFFFAOYSA-N 0 2 409.261 3.518 20 0 HHADLN CC[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccc(F)cc1 ZINC000461450411 983115990 /nfs/dbraw/zinc/11/59/90/983115990.db2.gz XDWSYWIZDIGHEI-INIZCTEOSA-N 0 2 420.491 3.610 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N(CC)Cc2ccc(OC)c(OC)c2)=N1 ZINC000438899197 983143393 /nfs/dbraw/zinc/14/33/93/983143393.db2.gz CHYUCACVNOJKNN-UHFFFAOYSA-N 0 2 409.486 3.820 20 0 HHADLN COCCn1cc(S(=O)(=O)Nc2ccc(C)c(OCC3CCCCC3)c2)cn1 ZINC000439048627 983227367 /nfs/dbraw/zinc/22/73/67/983227367.db2.gz QKPLUXQKDIAFMU-UHFFFAOYSA-N 0 2 407.536 3.598 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NCc3cc(F)cc4c3OCOC4)=N2)cc1 ZINC000439168888 983288061 /nfs/dbraw/zinc/28/80/61/983288061.db2.gz LINPBOKKTAPNJC-UHFFFAOYSA-N 0 2 411.433 3.637 20 0 HHADLN C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000439208984 983311868 /nfs/dbraw/zinc/31/18/68/983311868.db2.gz CHUSFINQFMWMPY-SNVBAGLBSA-N 0 2 405.227 3.779 20 0 HHADLN C[C@@H]1CCCC[C@H]1OCC(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439245422 983329542 /nfs/dbraw/zinc/32/95/42/983329542.db2.gz KEPWDHYKVXZMNF-QMTHXVAHSA-N 0 2 411.275 3.907 20 0 HHADLN O=S(=O)(Nc1ccc(-c2nncs2)cc1)c1ccccc1OC(F)(F)F ZINC000439255057 983333911 /nfs/dbraw/zinc/33/39/11/983333911.db2.gz FUCLCTMQENVVNQ-UHFFFAOYSA-N 0 2 401.391 3.905 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)Nc3cc(-c4ccnn4C)ccc3C)s[nH]2)c1 ZINC000439382869 983387700 /nfs/dbraw/zinc/38/77/00/983387700.db2.gz RNZDQEFCEADLMK-UHFFFAOYSA-N 0 2 420.498 3.989 20 0 HHADLN C[C@H]1C[C@H](C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)CO1 ZINC000439421902 983402566 /nfs/dbraw/zinc/40/25/66/983402566.db2.gz KKIQZWRFZKXGDW-RYUDHWBXSA-N 0 2 412.870 3.643 20 0 HHADLN C[C@H]1CCCN(Cc2csc(NS(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)n2)C1 ZINC000439883507 983568753 /nfs/dbraw/zinc/56/87/53/983568753.db2.gz PCYCDJIOVFVOIZ-AWEZNQCLSA-N 0 2 421.588 3.889 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)c(F)cc1F ZINC000440293766 983708891 /nfs/dbraw/zinc/70/88/91/983708891.db2.gz JIQPKTILIXRHMO-UHFFFAOYSA-N 0 2 404.442 3.669 20 0 HHADLN CC(C)COc1ccc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)cc1Cl ZINC000440805069 983914359 /nfs/dbraw/zinc/91/43/59/983914359.db2.gz DBFOIRYTYXNZTF-UHFFFAOYSA-N 0 2 413.927 3.724 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)Nc2ccc(OC3CCCCC3)cc2)s[nH]1 ZINC000440895712 983957983 /nfs/dbraw/zinc/95/79/83/983957983.db2.gz NCCMFMXFSDHMKJ-UHFFFAOYSA-N 0 2 402.520 3.546 20 0 HHADLN Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)cc1 ZINC000440967114 984002182 /nfs/dbraw/zinc/00/21/82/984002182.db2.gz SGXWKNXLWZVUQE-GDBMZVCRSA-N 0 2 400.548 3.504 20 0 HHADLN O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1cnn(C2CCOCC2)c1 ZINC000441334510 984190791 /nfs/dbraw/zinc/19/07/91/984190791.db2.gz NYUITNMADNFDLC-UHFFFAOYSA-N 0 2 413.499 3.614 20 0 HHADLN CC(C)(C)Cc1nc2cc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)ccc2o1 ZINC000441351584 984202440 /nfs/dbraw/zinc/20/24/40/984202440.db2.gz JKEQWLVIIICKLT-UHFFFAOYSA-N 0 2 418.519 3.765 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)cc1Cl ZINC000441353920 984203703 /nfs/dbraw/zinc/20/37/03/984203703.db2.gz NDKAQUWAEWOUKQ-UHFFFAOYSA-N 0 2 418.830 3.815 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N(C)Cc3cn(C)nc3C(F)(F)F)=N2)cc1 ZINC000441451222 984259528 /nfs/dbraw/zinc/25/95/28/984259528.db2.gz UAMLQCXAGRMRDU-UHFFFAOYSA-N 0 2 421.423 3.726 20 0 HHADLN CCOC(=O)[C@H](C(=O)CSc1ccc(C(C)=O)cc1OC)c1nc(C)cs1 ZINC000441931693 984548217 /nfs/dbraw/zinc/54/82/17/984548217.db2.gz XELQHKKKVIVZIE-QGZVFWFLSA-N 0 2 407.513 3.671 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N2CCCCC[C@@H]2/C=C/c2ccccc2)s[nH]1 ZINC000442056845 984614964 /nfs/dbraw/zinc/61/49/64/984614964.db2.gz MVUJDCPQWHOAMP-TUQDCPSNSA-N 0 2 412.559 3.681 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3CCNC3=O)cc2C)c1Cl ZINC000442226467 984745415 /nfs/dbraw/zinc/74/54/15/984745415.db2.gz ALTOCCPBOOTHCS-UHFFFAOYSA-N 0 2 414.314 3.941 20 0 HHADLN Cn1c(=O)[nH]c2ccc(NS(=O)(=O)c3cc(Br)sc3Cl)cc21 ZINC000442237232 984758071 /nfs/dbraw/zinc/75/80/71/984758071.db2.gz GEBFLGDIOCIKEZ-UHFFFAOYSA-N 0 2 422.713 3.557 20 0 HHADLN CCCCCOc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+]=C3[O-])cc2C)cc1 ZINC000442240458 984762091 /nfs/dbraw/zinc/76/20/91/984762091.db2.gz XCJZGZZIVCTNSI-UHFFFAOYSA-N 0 2 417.531 3.894 20 0 HHADLN Cc1noc2ncc(NS(=O)(=O)c3ccc(Br)cc3Cl)cc12 ZINC000462098859 985069916 /nfs/dbraw/zinc/06/99/16/985069916.db2.gz BDCMAUYVAXPXQR-UHFFFAOYSA-N 0 2 402.657 3.748 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2coc3ccccc23)c(F)c1Cl ZINC000462142178 985113096 /nfs/dbraw/zinc/11/30/96/985113096.db2.gz RNEBYOXDCAKZAA-UHFFFAOYSA-N 0 2 414.817 3.801 20 0 HHADLN O=S(=O)(Nc1ccc(OCC(F)(F)F)cc1)c1cnccc1C(F)(F)F ZINC000442811876 985223747 /nfs/dbraw/zinc/22/37/47/985223747.db2.gz DEPNZUFJCXGXRL-UHFFFAOYSA-N 0 2 400.300 3.842 20 0 HHADLN Cc1ccnc(Oc2ccc(NS(=O)(=O)c3cnccc3C(F)(F)F)cc2)n1 ZINC000442811791 985223984 /nfs/dbraw/zinc/22/39/84/985223984.db2.gz CWJUUGASDMPPLY-UHFFFAOYSA-N 0 2 410.377 3.792 20 0 HHADLN CCCn1ccc2ccc(NS(=O)(=O)c3ccc(C(=O)OC)cc3OC)cc21 ZINC000442834013 985235786 /nfs/dbraw/zinc/23/57/86/985235786.db2.gz CRSZRTMDBGWLQU-UHFFFAOYSA-N 0 2 402.472 3.647 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000442840687 985239506 /nfs/dbraw/zinc/23/95/06/985239506.db2.gz XPGNOLDOQPTALS-UHFFFAOYSA-N 0 2 410.517 3.629 20 0 HHADLN C[C@@H](c1cccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1)[NH+]1CCOCC1 ZINC000462255933 985240823 /nfs/dbraw/zinc/24/08/23/985240823.db2.gz RXJWQRYXJHRFEW-NMMYMHLASA-N 0 2 422.573 3.722 20 0 HHADLN CC(C)(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000442850770 985246185 /nfs/dbraw/zinc/24/61/85/985246185.db2.gz VROAAWHGPMOLMN-UHFFFAOYSA-N 0 2 405.900 3.852 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2c(C)cc(C)cc2C)c(F)c1Cl ZINC000462263420 985252293 /nfs/dbraw/zinc/25/22/93/985252293.db2.gz OUCOCCFVYBCYNH-UHFFFAOYSA-N 0 2 416.877 3.980 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H](C)c2cccc(C)c2)c(F)c1Cl ZINC000462330521 985320969 /nfs/dbraw/zinc/32/09/69/985320969.db2.gz DOLNIYJXHDYMAP-NSHDSACASA-N 0 2 416.877 3.967 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CSc3ccccc32)c(F)c1Cl ZINC000462341162 985329720 /nfs/dbraw/zinc/32/97/20/985329720.db2.gz NWERNENTXDVVFS-GFCCVEGCSA-N 0 2 418.874 3.702 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2cccc3c2CN([C@H](C)C(C)C)C3)c1 ZINC000462373928 985358312 /nfs/dbraw/zinc/35/83/12/985358312.db2.gz ZNSLTBDVGZTGPK-OAHLLOKOSA-N 0 2 402.516 3.634 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2C[N@@H+]([C@H](C)C(C)C)C3)c1 ZINC000462373928 985358324 /nfs/dbraw/zinc/35/83/24/985358324.db2.gz ZNSLTBDVGZTGPK-OAHLLOKOSA-N 0 2 402.516 3.634 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)c1 ZINC000462373928 985358333 /nfs/dbraw/zinc/35/83/33/985358333.db2.gz ZNSLTBDVGZTGPK-OAHLLOKOSA-N 0 2 402.516 3.634 20 0 HHADLN O=C1Cc2cc(S(=O)(=O)Nc3nc4cc(Cl)ccc4s3)cc3c2N1CCC3 ZINC000462380714 985364001 /nfs/dbraw/zinc/36/40/01/985364001.db2.gz YBQWSWFFKCEGMN-UHFFFAOYSA-N 0 2 419.915 3.586 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC2(c3ccccc3)CCC2)c(F)c1Cl ZINC000462427423 985399005 /nfs/dbraw/zinc/39/90/05/985399005.db2.gz LMUSJPNXRICXIT-UHFFFAOYSA-N 0 2 414.861 3.934 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(C3CCC3)nn2-c2ccccc2)cc1OC ZINC000443422304 985580123 /nfs/dbraw/zinc/58/01/23/985580123.db2.gz IFBCRXRSIOJFDW-UHFFFAOYSA-N 0 2 413.499 3.958 20 0 HHADLN COc1ccc(-c2nc3ccccc3[nH]2)cc1NS(=O)(=O)c1c[nH]c2ncccc12 ZINC000443423841 985580807 /nfs/dbraw/zinc/58/08/07/985580807.db2.gz SDGACWGBJIDOSL-UHFFFAOYSA-N 0 2 419.466 3.916 20 0 HHADLN O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)N=c1nc(-c2ccccc2)[nH]s1 ZINC000467988984 985635058 /nfs/dbraw/zinc/63/50/58/985635058.db2.gz RVQMHRNNVWAGET-UHFFFAOYSA-N 0 2 411.874 3.902 20 0 HHADLN CCn1c2ccccc2c2cc(NS(=O)(=O)c3cnn([C@@H]4CCOC4)c3)ccc21 ZINC000443465921 985641114 /nfs/dbraw/zinc/64/11/14/985641114.db2.gz HYMLMDKYHRRSOM-MRXNPFEDSA-N 0 2 410.499 3.773 20 0 HHADLN C[C@@H](Nc1ccccc1NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)c1ccccc1 ZINC000443530702 985702852 /nfs/dbraw/zinc/70/28/52/985702852.db2.gz OHPQOSUVJFFXDH-SJLPKXTDSA-N 0 2 412.515 3.818 20 0 HHADLN C[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccccc1F ZINC000443582978 985757358 /nfs/dbraw/zinc/75/73/58/985757358.db2.gz OJAFKLDNLVQORT-LBPRGKRZSA-N 0 2 405.476 3.825 20 0 HHADLN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccc(F)c1 ZINC000443582813 985757578 /nfs/dbraw/zinc/75/75/78/985757578.db2.gz OWVBKLXTWGPBFU-GFCCVEGCSA-N 0 2 405.476 3.825 20 0 HHADLN Cc1ccccc1NCCC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443594060 985769512 /nfs/dbraw/zinc/76/95/12/985769512.db2.gz RREFYJKMRLUJBZ-UHFFFAOYSA-N 0 2 416.528 3.693 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)=N1 ZINC000443840479 986040885 /nfs/dbraw/zinc/04/08/85/986040885.db2.gz JBFZGTPMYKGRRV-SFHVURJKSA-N 0 2 407.445 3.903 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000468352183 986048813 /nfs/dbraw/zinc/04/88/13/986048813.db2.gz KYYKFPBPTGUSRT-UHFFFAOYSA-N 0 2 413.442 3.580 20 0 HHADLN Cc1cc(F)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c1 ZINC000443852598 986056180 /nfs/dbraw/zinc/05/61/80/986056180.db2.gz RBVHPIPDSUVVBX-UHFFFAOYSA-N 0 2 414.462 3.594 20 0 HHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000463104747 986065816 /nfs/dbraw/zinc/06/58/16/986065816.db2.gz KVGRJAUSTBFXTN-QMMMGPOBSA-N 0 2 401.196 3.969 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000468366696 986065971 /nfs/dbraw/zinc/06/59/71/986065971.db2.gz HUBHBHKWKMJUJL-UHFFFAOYSA-N 0 2 423.384 3.593 20 0 HHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000463107506 986068848 /nfs/dbraw/zinc/06/88/48/986068848.db2.gz UELSERAZQCAPBB-QMMMGPOBSA-N 0 2 401.196 3.969 20 0 HHADLN NC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)cc1F ZINC000468379087 986079293 /nfs/dbraw/zinc/07/92/93/986079293.db2.gz ZQTWPBUNALGFQN-UHFFFAOYSA-N 0 2 412.870 3.558 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1cnn(-c2cccnc2)c1 ZINC000463157984 986129651 /nfs/dbraw/zinc/12/96/51/986129651.db2.gz BSTZYOWLMIMBET-UHFFFAOYSA-N 0 2 400.229 3.612 20 0 HHADLN O=C(CCCNC(=O)c1ccccc1)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463160191 986131441 /nfs/dbraw/zinc/13/14/41/986131441.db2.gz DFMOQCZRZAGJMO-UHFFFAOYSA-N 0 2 418.284 3.927 20 0 HHADLN O=C(CCNC(=O)c1ccsc1)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463168579 986140562 /nfs/dbraw/zinc/14/05/62/986140562.db2.gz HJOAFCCVKXOPTJ-UHFFFAOYSA-N 0 2 410.286 3.599 20 0 HHADLN CC(C)C[C@@H]1C[C@H](C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)CC(=O)N1 ZINC000463170686 986142211 /nfs/dbraw/zinc/14/22/11/986142211.db2.gz LFJUIYGPZALSHY-CMPLNLGQSA-N 0 2 410.305 3.658 20 0 HHADLN CCCc1cnc(NS(=O)(=O)c2cc(OC)c(Br)cc2OC)s1 ZINC000444048468 986246678 /nfs/dbraw/zinc/24/66/78/986246678.db2.gz JARINBFGKPSIDT-UHFFFAOYSA-N 0 2 421.338 3.676 20 0 HHADLN O=S(=O)(Nc1ccc(-n2cccn2)nc1)c1cc(Cl)ccc1OCC1CCC1 ZINC000468544234 986250054 /nfs/dbraw/zinc/25/00/54/986250054.db2.gz RUDKAUXRBARSAW-UHFFFAOYSA-N 0 2 418.906 3.900 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccs2)ns1)c1ccc(C(F)(F)F)cc1F ZINC000444054330 986253759 /nfs/dbraw/zinc/25/37/59/986253759.db2.gz XUSYVONHZWZCFL-UHFFFAOYSA-N 0 2 409.411 3.647 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)n(-c2ccc(F)cc2)n1 ZINC000444055495 986255919 /nfs/dbraw/zinc/25/59/19/986255919.db2.gz NYIFELAKPGCZDQ-UHFFFAOYSA-N 0 2 409.446 3.578 20 0 HHADLN Cc1occc1-c1nnc(NS(=O)(=O)c2cc(Br)sc2C)o1 ZINC000444060625 986261863 /nfs/dbraw/zinc/26/18/63/986261863.db2.gz SAFCZNFRUMHGNU-UHFFFAOYSA-N 0 2 404.267 3.571 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3ccc(F)c(Br)c3)o2)c(C)o1 ZINC000444060641 986261917 /nfs/dbraw/zinc/26/19/17/986261917.db2.gz SDYHPQWZEYFSSE-UHFFFAOYSA-N 0 2 416.228 3.649 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3cc(F)ccc3Br)o2)c(C)o1 ZINC000444063544 986266006 /nfs/dbraw/zinc/26/60/06/986266006.db2.gz FUGNEHKEFATPGG-UHFFFAOYSA-N 0 2 416.228 3.649 20 0 HHADLN CC(C)c1nnc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)o1 ZINC000444066084 986268881 /nfs/dbraw/zinc/26/88/81/986268881.db2.gz UYJGDTVYUZUUJM-UHFFFAOYSA-N 0 2 414.203 3.775 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@H](C[S@@](C)=O)c3ccccc3)=N2)cc1 ZINC000468610642 986324639 /nfs/dbraw/zinc/32/46/39/986324639.db2.gz ZFOZFTZLAMJDLM-SONOPUAISA-N 0 2 411.527 3.551 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2nccc(-c3ccccc3)n2)cc1Cl ZINC000463372388 986338513 /nfs/dbraw/zinc/33/85/13/986338513.db2.gz YNADOLGOFYOTIX-UHFFFAOYSA-N 0 2 420.853 3.695 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3ccccc3OC(F)(F)F)o2)c(C)o1 ZINC000463382128 986348921 /nfs/dbraw/zinc/34/89/21/986348921.db2.gz QMLCGABUXJFCOM-UHFFFAOYSA-N 0 2 403.338 3.646 20 0 HHADLN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)s1 ZINC000444200420 986378882 /nfs/dbraw/zinc/37/88/82/986378882.db2.gz SDYARAXMHUUIGZ-UHFFFAOYSA-N 0 2 423.829 3.710 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)=N1 ZINC000468692889 986405264 /nfs/dbraw/zinc/40/52/64/986405264.db2.gz GQSOVXOMMLOGBH-INIZCTEOSA-N 0 2 422.460 3.516 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)=N1 ZINC000468699298 986412623 /nfs/dbraw/zinc/41/26/23/986412623.db2.gz HIPQLNPIKUTHJP-JTSKRJEESA-N 0 2 409.461 3.923 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCO[C@H](c3ccc(F)c(F)c3)C2)=N1 ZINC000468700749 986413828 /nfs/dbraw/zinc/41/38/28/986413828.db2.gz VHKHHGFJIUXXOP-IBGZPJMESA-N 0 2 417.387 3.517 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)=N1 ZINC000468730892 986444594 /nfs/dbraw/zinc/44/45/94/986444594.db2.gz YCIYIMQOOLINPA-UHFFFAOYSA-N 0 2 408.408 3.844 20 0 HHADLN O=C(Nc1cccc(N2CCC2=O)c1)c1[nH]nc(-c2ccccc2)c1Br ZINC000468733798 986446909 /nfs/dbraw/zinc/44/69/09/986446909.db2.gz LOJRKCGKMLFCPN-UHFFFAOYSA-N 0 2 411.259 3.828 20 0 HHADLN CCN(Cc1ccc(OC)cc1OC)C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000468738917 986452810 /nfs/dbraw/zinc/45/28/10/986452810.db2.gz XANUXSFDBWMVML-UHFFFAOYSA-N 0 2 413.449 3.705 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)=N1 ZINC000468748188 986461519 /nfs/dbraw/zinc/46/15/19/986461519.db2.gz NVGNGBMIEAYYJW-IZPCHGGPSA-N 0 2 415.490 3.596 20 0 HHADLN Cc1ccc(-c2cnc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)s2)c(C)c1 ZINC000468796860 986506225 /nfs/dbraw/zinc/50/62/25/986506225.db2.gz DBAZALBVTSSCID-UHFFFAOYSA-N 0 2 422.553 3.631 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(CC(C)C)s1 ZINC000468847698 986558243 /nfs/dbraw/zinc/55/82/43/986558243.db2.gz FJLHWAHVWNVUEG-LLVKDONJSA-N 0 2 419.956 3.605 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000468878418 986585983 /nfs/dbraw/zinc/58/59/83/986585983.db2.gz GHWGTTLHIQFOIS-GOSISDBHSA-N 0 2 401.825 3.584 20 0 HHADLN CCCCc1nnc(NS(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)s1 ZINC000468901177 986607676 /nfs/dbraw/zinc/60/76/76/986607676.db2.gz ICOJQKKITPTLOE-NSHDSACASA-N 0 2 419.956 3.749 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)ccc1F ZINC000468973619 986678128 /nfs/dbraw/zinc/67/81/28/986678128.db2.gz NZGJMGVYNVHHDY-UHFFFAOYSA-N 0 2 404.467 3.513 20 0 HHADLN CSc1ccc(S(=O)(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1Cl ZINC000463701385 986685685 /nfs/dbraw/zinc/68/56/85/986685685.db2.gz XJSVICMDOXKSIS-UHFFFAOYSA-N 0 2 415.949 3.593 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c2ncccc12 ZINC000463785292 986776295 /nfs/dbraw/zinc/77/62/95/986776295.db2.gz VPJBBBGFIBXMNF-UHFFFAOYSA-N 0 2 420.874 3.859 20 0 HHADLN COc1cc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)ccc1OC(C)C ZINC000463789337 986780634 /nfs/dbraw/zinc/78/06/34/986780634.db2.gz MKFTWARTUQJFPB-UHFFFAOYSA-N 0 2 401.488 3.528 20 0 HHADLN CNC(=O)c1ccc(S(=O)(=O)Nc2ncc(-c3ccc(C)cc3C)s2)cc1 ZINC000469082197 986794329 /nfs/dbraw/zinc/79/43/29/986794329.db2.gz WUTBVEAWPXKWLE-UHFFFAOYSA-N 0 2 401.513 3.587 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(C(C)(C)C)s1 ZINC000469092033 986805749 /nfs/dbraw/zinc/80/57/49/986805749.db2.gz WUMFTDYZNNUENI-SNVBAGLBSA-N 0 2 419.956 3.704 20 0 HHADLN CS(=O)(=O)[C@H]1CCCCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)C1 ZINC000444637405 986823520 /nfs/dbraw/zinc/82/35/20/986823520.db2.gz GFQYOHVDKJWSRD-INIZCTEOSA-N 0 2 407.919 3.752 20 0 HHADLN CN(C(=O)N=c1nc(C(C)(C)C)[nH]s1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000444900044 987048506 /nfs/dbraw/zinc/04/85/06/987048506.db2.gz RMTBBAFBMNSNII-CHWSQXEVSA-N 0 2 415.346 3.686 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(O)c(-c2nc(-c3cocn3)no2)c1 ZINC000445563274 987624630 /nfs/dbraw/zinc/62/46/30/987624630.db2.gz AIFMKMNEDQGVQB-UHFFFAOYSA-N 0 2 418.818 3.551 20 0 HHADLN Cn1cc(-c2[nH]ncc2C(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)cn1 ZINC000470314729 988273830 /nfs/dbraw/zinc/27/38/30/988273830.db2.gz VSILIZBJLYNFMY-UHFFFAOYSA-N 0 2 423.826 3.944 20 0 HHADLN Cc1sc(Br)cc1S(=O)(=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000470445958 988423039 /nfs/dbraw/zinc/42/30/39/988423039.db2.gz ONNDDGNEPLAKNZ-NSHDSACASA-N 0 2 418.334 3.788 20 0 HHADLN O=S(=O)(Nc1ccccc1O[C@H]1CCOC1)c1ccc(F)cc1Br ZINC000470450681 988429965 /nfs/dbraw/zinc/42/99/65/988429965.db2.gz AJUFHEILFBXNBY-LBPRGKRZSA-N 0 2 416.268 3.557 20 0 HHADLN O=S(=O)(Nc1ccccc1O[C@@H]1CCOC1)c1ccc(F)cc1C(F)(F)F ZINC000470460906 988446872 /nfs/dbraw/zinc/44/68/72/988446872.db2.gz UHUJIRBUXNKZNX-GFCCVEGCSA-N 0 2 405.369 3.813 20 0 HHADLN COC(=O)[C@@H](c1ccccc1)N(C)C(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC000470644121 988658821 /nfs/dbraw/zinc/65/88/21/988658821.db2.gz ZPSMBZLBIQYESU-OAQYLSRUSA-N 0 2 407.470 3.688 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc2c(C(F)F)nn(C)c2s1 ZINC000470729572 988760506 /nfs/dbraw/zinc/76/05/06/988760506.db2.gz INEDARLDFPIYSQ-UHFFFAOYSA-N 0 2 409.443 3.555 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2cccc(C(=O)OC)c2)s1)c1ccccc1 ZINC000471505320 989703110 /nfs/dbraw/zinc/70/31/10/989703110.db2.gz BYVJIIDENLHUPP-MRXNPFEDSA-N 0 2 417.512 3.667 20 0 HHADLN COC(=O)CCCc1nnc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)s1 ZINC000471507494 989705448 /nfs/dbraw/zinc/70/54/48/989705448.db2.gz LIWJRVUTZAKFBI-UHFFFAOYSA-N 0 2 417.512 3.502 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2ccc3c(c2)OCCO3)s1)c1ccccc1 ZINC000471511444 989710384 /nfs/dbraw/zinc/71/03/84/989710384.db2.gz IMOCXTREHXKSDH-OAHLLOKOSA-N 0 2 417.512 3.652 20 0 HHADLN COc1ccc(OCCS(=O)(=O)Nc2nn([C@H](C)c3ccccc3)cc2C)cc1 ZINC000471577199 989779724 /nfs/dbraw/zinc/77/97/24/989779724.db2.gz IQPMLGPLPJVDLO-QGZVFWFLSA-N 0 2 415.515 3.630 20 0 HHADLN COc1ccc(OCCS(=O)(=O)Nc2nn([C@@H](C)c3ccccc3)cc2C)cc1 ZINC000471577198 989780041 /nfs/dbraw/zinc/78/00/41/989780041.db2.gz IQPMLGPLPJVDLO-KRWDZBQOSA-N 0 2 415.515 3.630 20 0 HHADLN Cn1ccc([C@@H](NCc2nnc(COc3ccccc3)[nH]2)c2ccc(Cl)cc2)n1 ZINC000471595529 989799109 /nfs/dbraw/zinc/79/91/09/989799109.db2.gz UWEMRHCYWDHKLA-NRFANRHFSA-N 0 2 408.893 3.650 20 0 HHADLN CCc1ccc(-c2noc([C@H](C)NS(=O)(=O)c3c(F)cc(F)cc3F)n2)cc1 ZINC000471881248 990054057 /nfs/dbraw/zinc/05/40/57/990054057.db2.gz DJVUFDBRPBBWTL-JTQLQIEISA-N 0 2 411.405 3.756 20 0 HHADLN CCOc1cc(Br)c(CC(=O)Nc2ccc3nn[nH]c3c2)cc1OCC ZINC000471917390 990084227 /nfs/dbraw/zinc/08/42/27/990084227.db2.gz YQSSQFWFMKMFPQ-UHFFFAOYSA-N 0 2 419.279 3.699 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCCc3ccccc3OC(F)F)s[nH]2)c1 ZINC000471939490 990103769 /nfs/dbraw/zinc/10/37/69/990103769.db2.gz KBJGLMQMBOBLFU-UHFFFAOYSA-N 0 2 420.441 3.601 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000471943559 990107890 /nfs/dbraw/zinc/10/78/90/990107890.db2.gz VWVPUYXGMSNGMY-UHFFFAOYSA-N 0 2 402.442 3.713 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 ZINC000471953859 990118229 /nfs/dbraw/zinc/11/82/29/990118229.db2.gz SFTUCPNNYBKLSX-UHFFFAOYSA-N 0 2 422.869 3.749 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000466356987 991625594 /nfs/dbraw/zinc/62/55/94/991625594.db2.gz KEHWJNCMCJJPDP-UHFFFAOYSA-N 0 2 421.446 3.845 20 0 HHADLN COc1cc(OC)c(NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1Cl ZINC000466362367 991633473 /nfs/dbraw/zinc/63/34/73/991633473.db2.gz MOIXQWKJAYAXRO-UHFFFAOYSA-N 0 2 408.867 3.731 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cnn1-c1ccccc1 ZINC000466478676 991770284 /nfs/dbraw/zinc/77/02/84/991770284.db2.gz HQVUSZKTJIINEZ-UHFFFAOYSA-N 0 2 418.478 3.954 20 0 HHADLN Cc1ccccc1-c1cc(NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)n(C)n1 ZINC000466905339 992221175 /nfs/dbraw/zinc/22/11/75/992221175.db2.gz SDPOMABOSDWBAE-UHFFFAOYSA-N 0 2 408.487 3.770 20 0 HHADLN COc1ccc(NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1OC(C)C ZINC000466922319 992235488 /nfs/dbraw/zinc/23/54/88/992235488.db2.gz WQUQXNUZDLSWFP-UHFFFAOYSA-N 0 2 402.476 3.857 20 0 HHADLN CCc1ccc2nc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4CC)sc2c1 ZINC000467016931 992324174 /nfs/dbraw/zinc/32/41/74/992324174.db2.gz YADBGDNVZRKQIS-UHFFFAOYSA-N 0 2 403.485 3.587 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)ccc1F ZINC000467402295 992709948 /nfs/dbraw/zinc/70/99/48/992709948.db2.gz GFKAOLJXCJEWLZ-UHFFFAOYSA-N 0 2 402.451 3.729 20 0 HHADLN O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NCCCc1n[nH]c(=O)[nH]1 ZINC000467470563 992763001 /nfs/dbraw/zinc/76/30/01/992763001.db2.gz UVAVTKFWJWCCKE-LJQANCHMSA-N 0 2 416.934 3.735 20 0 HHADLN O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCCCc1n[nH]c(=O)[nH]1 ZINC000467470562 992763218 /nfs/dbraw/zinc/76/32/18/992763218.db2.gz UVAVTKFWJWCCKE-IBGZPJMESA-N 0 2 416.934 3.735 20 0 HHADLN Cc1ccc(-c2n[nH]c(NC(=O)c3ccc(S(=O)(=O)c4ccccc4)s3)n2)cc1 ZINC000467520644 992797645 /nfs/dbraw/zinc/79/76/45/992797645.db2.gz IQPOZEAFFMEPKC-UHFFFAOYSA-N 0 2 424.507 3.927 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@@H]3CCc4cnn(C(C)C)c4C3)=N2)cc1 ZINC000481167669 993998274 /nfs/dbraw/zinc/99/82/74/993998274.db2.gz LMZMUOSOCJMABP-GOSISDBHSA-N 0 2 407.518 3.766 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@H]3CCc4cnn(C(C)C)c4C3)=N2)cc1 ZINC000481167670 993998360 /nfs/dbraw/zinc/99/83/60/993998360.db2.gz LMZMUOSOCJMABP-SFHVURJKSA-N 0 2 407.518 3.766 20 0 HHADLN Cc1ccc(-n2cccn2)cc1NS(=O)(=O)c1ccc(Br)cc1F ZINC000473425092 994277392 /nfs/dbraw/zinc/27/73/92/994277392.db2.gz BTPCPZAISRPQMN-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN CC(C)OCCS(=O)(=O)Nc1ccc(Br)cc1OC(F)(F)F ZINC000473438086 994288285 /nfs/dbraw/zinc/28/82/85/994288285.db2.gz ZDHQZXDCQZUZCP-UHFFFAOYSA-N 0 2 406.220 3.514 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccccc1OCC(F)(F)F ZINC000473496831 994342337 /nfs/dbraw/zinc/34/23/37/994342337.db2.gz HRLUHTMRLWUTRP-UHFFFAOYSA-N 0 2 421.379 3.647 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccccc1OC(F)(F)F ZINC000473500302 994347271 /nfs/dbraw/zinc/34/72/71/994347271.db2.gz UXEJHMQFXHBYBJ-UHFFFAOYSA-N 0 2 407.352 3.604 20 0 HHADLN COc1cc(Cl)c(C)cc1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473505844 994355949 /nfs/dbraw/zinc/35/59/49/994355949.db2.gz SQAHJPIMWUNSJU-UHFFFAOYSA-N 0 2 401.854 3.676 20 0 HHADLN CN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc2cc[nH]c2c1 ZINC000473571988 994440231 /nfs/dbraw/zinc/44/02/31/994440231.db2.gz QFDBNZCJNVKTGJ-UHFFFAOYSA-N 0 2 412.496 3.702 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)cnn1-c1ccccn1 ZINC000481596167 994443004 /nfs/dbraw/zinc/44/30/04/994443004.db2.gz VMCZXWXFXMAPED-UHFFFAOYSA-N 0 2 421.482 3.872 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000473652349 994537143 /nfs/dbraw/zinc/53/71/43/994537143.db2.gz OPTSQJVEXCGPCE-UHFFFAOYSA-N 0 2 409.343 3.863 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(Oc2ccccn2)cc1 ZINC000473683563 994573632 /nfs/dbraw/zinc/57/36/32/994573632.db2.gz SSDWJXGXGOAORS-UHFFFAOYSA-N 0 2 416.441 3.893 20 0 HHADLN O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000473745650 994649710 /nfs/dbraw/zinc/64/97/10/994649710.db2.gz PXLTWWXHBPNFCJ-XZOQPEGZSA-N 0 2 412.445 3.709 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ncc(C(F)(F)F)s1 ZINC000473756420 994665823 /nfs/dbraw/zinc/66/58/23/994665823.db2.gz AXSNODUTHXVDOU-UHFFFAOYSA-N 0 2 422.431 3.964 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cc(C4CC4)nc(C)n3)cc2c1C ZINC000473762166 994676553 /nfs/dbraw/zinc/67/65/53/994676553.db2.gz FAKUYPZTMIBNBK-UHFFFAOYSA-N 0 2 415.471 3.695 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000473775469 994697132 /nfs/dbraw/zinc/69/71/32/994697132.db2.gz LNTYZMDCOPVVIX-UHFFFAOYSA-N 0 2 423.807 3.960 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3cc(Cl)c(OC)cc3C)o2)cc1 ZINC000481842925 994697798 /nfs/dbraw/zinc/69/77/98/994697798.db2.gz IAZIYBTYZHZBOI-UHFFFAOYSA-N 0 2 423.878 3.907 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3C)o2)c(Br)c1 ZINC000481847178 994702527 /nfs/dbraw/zinc/70/25/27/994702527.db2.gz OOIGWIQFDWYCIG-UHFFFAOYSA-N 0 2 424.276 3.617 20 0 HHADLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)s1 ZINC000481850499 994706606 /nfs/dbraw/zinc/70/66/06/994706606.db2.gz YEWHSADYIRSIPM-UHFFFAOYSA-N 0 2 418.397 3.867 20 0 HHADLN C[NH+](C)Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)cc1Cl ZINC000481873036 994736836 /nfs/dbraw/zinc/73/68/36/994736836.db2.gz KNOZKJAGGMOQIQ-UHFFFAOYSA-N 0 2 417.314 3.627 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3ccccc3C(C)(C)C)o2)c1 ZINC000481877556 994742442 /nfs/dbraw/zinc/74/24/42/994742442.db2.gz XWVVEHRUIFIXPD-UHFFFAOYSA-N 0 2 401.488 3.767 20 0 HHADLN Cc1cc2sc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)nc2cc1F ZINC000481884528 994750428 /nfs/dbraw/zinc/75/04/28/994750428.db2.gz WCWOAXPMYKOSDR-UHFFFAOYSA-N 0 2 409.439 3.568 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)ns2)c2ccccc12 ZINC000481939628 994814919 /nfs/dbraw/zinc/81/49/19/994814919.db2.gz BURAMVKAFRVGHR-UHFFFAOYSA-N 0 2 424.507 3.539 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000473887961 994838197 /nfs/dbraw/zinc/83/81/97/994838197.db2.gz YACHJRWIWZJZRE-HXUWFJFHSA-N 0 2 411.893 3.988 20 0 HHADLN C[C@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccccc1C(F)(F)F ZINC000473900661 994859480 /nfs/dbraw/zinc/85/94/80/994859480.db2.gz DAPPITCBJQFNIR-ZDUSSCGKSA-N 0 2 419.407 3.963 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000474027867 995019055 /nfs/dbraw/zinc/01/90/55/995019055.db2.gz DTMXEOCRECDLFE-BBRMVZONSA-N 0 2 415.856 3.532 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000474027869 995019251 /nfs/dbraw/zinc/01/92/51/995019251.db2.gz DTMXEOCRECDLFE-CJNGLKHVSA-N 0 2 415.856 3.532 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000474042125 995032269 /nfs/dbraw/zinc/03/22/69/995032269.db2.gz WXJZEANGIXQLBH-AZUAARDMSA-N 0 2 405.502 3.594 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NC[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000474045594 995035965 /nfs/dbraw/zinc/03/59/65/995035965.db2.gz QKLKPLMHHPNVGZ-UONOGXRCSA-N 0 2 411.428 3.552 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000474045592 995036256 /nfs/dbraw/zinc/03/62/56/995036256.db2.gz QKLKPLMHHPNVGZ-KGLIPLIRSA-N 0 2 411.428 3.552 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCC[C@@H]1CCc1ccccc1 ZINC000474071094 995057664 /nfs/dbraw/zinc/05/76/64/995057664.db2.gz CMPGNJVPXSLOPZ-LJQANCHMSA-N 0 2 405.502 3.691 20 0 HHADLN Cc1cc(C)cc(C2=CCN(C(=O)NCc3nnc(COc4ccccc4)[nH]3)CC2)c1 ZINC000474074249 995060229 /nfs/dbraw/zinc/06/02/29/995060229.db2.gz PTOYMBWYEKKQBB-UHFFFAOYSA-N 0 2 417.513 3.999 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000474081531 995065343 /nfs/dbraw/zinc/06/53/43/995065343.db2.gz QAQZPTJFQBAMAO-UHFFFAOYSA-N 0 2 411.893 3.911 20 0 HHADLN CC(C)(NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1cccc(Cl)c1F ZINC000474082728 995066507 /nfs/dbraw/zinc/06/65/07/995066507.db2.gz TZBOMGPWWSNMFF-UHFFFAOYSA-N 0 2 417.872 3.911 20 0 HHADLN COc1cccc([C@H]2C[C@@H](C)CN2C(=O)NCc2nnc(COc3ccccc3)[nH]2)c1 ZINC000474086249 995069213 /nfs/dbraw/zinc/06/92/13/995069213.db2.gz CFWSQNFRFUWDTC-OXQOHEQNSA-N 0 2 421.501 3.685 20 0 HHADLN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1 ZINC000474091714 995074487 /nfs/dbraw/zinc/07/44/87/995074487.db2.gz ZPUZQTAKLAECKK-DNVCBOLYSA-N 0 2 409.465 3.816 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H](C1CCCCC1)C(F)(F)F ZINC000482296702 995276508 /nfs/dbraw/zinc/27/65/08/995276508.db2.gz NIMUJGPAOVJPBC-QGZVFWFLSA-N 0 2 411.428 3.694 20 0 HHADLN CCn1nccc1NS(=O)(=O)c1cc(Br)c(C)cc1Br ZINC000474417398 995382442 /nfs/dbraw/zinc/38/24/42/995382442.db2.gz QKLMUGHFOVGDJI-UHFFFAOYSA-N 0 2 423.130 3.537 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(-c3ccccn3)s2)c2ccccc12 ZINC000474426321 995390045 /nfs/dbraw/zinc/39/00/45/995390045.db2.gz JLESQZKSEVWPMN-UHFFFAOYSA-N 0 2 412.496 3.953 20 0 HHADLN O=C(NCc1n[nH]c(=O)[nH]1)Nc1ccc(Sc2ccc(Br)cc2)cc1 ZINC000474550130 995516322 /nfs/dbraw/zinc/51/63/22/995516322.db2.gz GWBZBODUNJFYCI-UHFFFAOYSA-N 0 2 420.292 3.746 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccc(CCC(F)(F)F)cc1 ZINC000474571600 995533980 /nfs/dbraw/zinc/53/39/80/995533980.db2.gz BWDPFVMFAYZYSW-UHFFFAOYSA-N 0 2 404.392 3.809 20 0 HHADLN O=C(CCc1ccc(Cl)c(Cl)c1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474572065 995534000 /nfs/dbraw/zinc/53/40/00/995534000.db2.gz FCWNZVXUTCGBCY-UHFFFAOYSA-N 0 2 405.285 3.940 20 0 HHADLN Cc1cccc(-c2nc(CC(=O)NCc3nnc(COc4ccccc4)[nH]3)cs2)c1 ZINC000474572537 995534974 /nfs/dbraw/zinc/53/49/74/995534974.db2.gz FYIZFKDJPNOUDI-UHFFFAOYSA-N 0 2 419.510 3.675 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccccc1CCC(F)(F)F ZINC000474580580 995540338 /nfs/dbraw/zinc/54/03/38/995540338.db2.gz YJIHLHUPWLFPQP-UHFFFAOYSA-N 0 2 404.392 3.809 20 0 HHADLN Cc1nc(-c2cccc(C(=O)NCc3nnc(COc4ccccc4)[nH]3)c2)cs1 ZINC000474580546 995540477 /nfs/dbraw/zinc/54/04/77/995540477.db2.gz ANOALVSPHVKDCU-UHFFFAOYSA-N 0 2 405.483 3.746 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccc(Br)c(Cl)c1 ZINC000474586832 995545832 /nfs/dbraw/zinc/54/58/32/995545832.db2.gz QRGOXVNJAQNCRK-UHFFFAOYSA-N 0 2 421.682 3.730 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccccc1COc1ccccc1 ZINC000474591628 995550097 /nfs/dbraw/zinc/55/00/97/995550097.db2.gz JRIPFNGXMSFTDS-UHFFFAOYSA-N 0 2 414.465 3.893 20 0 HHADLN Cc1nc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)c(-c2ccccc2)s1 ZINC000474594694 995553214 /nfs/dbraw/zinc/55/32/14/995553214.db2.gz PDJIUQHMSQRWHI-UHFFFAOYSA-N 0 2 405.483 3.746 20 0 HHADLN O=C(Cc1csc(-c2cccc(F)c2)n1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474596117 995554417 /nfs/dbraw/zinc/55/44/17/995554417.db2.gz ZSDYBPSGYSROAI-UHFFFAOYSA-N 0 2 423.473 3.505 20 0 HHADLN Cc1nc2ccc(Br)cn2c1C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000475112659 995930132 /nfs/dbraw/zinc/93/01/32/995930132.db2.gz FVEGEUSBDOXYGX-UHFFFAOYSA-N 0 2 414.288 3.598 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@H]3CCc4cn(C(C)C)nc4C3)=N2)cc1 ZINC000483067716 995952479 /nfs/dbraw/zinc/95/24/79/995952479.db2.gz AMPAYSSQAWJCLH-SFHVURJKSA-N 0 2 407.518 3.766 20 0 HHADLN Cc1cccc2c(=O)c(C(=O)N3CCO[C@H](c4cccc(OC(F)F)c4)C3)c[nH]c12 ZINC000483257006 996064589 /nfs/dbraw/zinc/06/45/89/996064589.db2.gz PBBCUENMJANLGE-SFHVURJKSA-N 0 2 414.408 3.652 20 0 HHADLN COc1ccccc1-c1n[nH]c(NC(=O)c2cnc(Cc3ccccc3F)s2)n1 ZINC000475629939 996262413 /nfs/dbraw/zinc/26/24/13/996262413.db2.gz YRURZADHBPJFRM-UHFFFAOYSA-N 0 2 409.446 3.919 20 0 HHADLN COc1cccc(-c2noc([C@@H](C)NC(=O)N=c3nc(-c4ccccc4)[nH]s3)n2)c1 ZINC000475642524 996271372 /nfs/dbraw/zinc/27/13/72/996271372.db2.gz IEJULIIERCDXQL-GFCCVEGCSA-N 0 2 422.470 3.568 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C)c(Br)c1 ZINC000475798340 996377676 /nfs/dbraw/zinc/37/76/76/996377676.db2.gz NVAUDCJUXNJVGO-UHFFFAOYSA-N 0 2 416.341 3.810 20 0 HHADLN O=S(=O)(Nc1cc(F)cc(NCC(F)(F)F)c1)c1cnn(-c2ccccc2)c1 ZINC000475799303 996378380 /nfs/dbraw/zinc/37/83/80/996378380.db2.gz QZYUQVGBVSBJFT-UHFFFAOYSA-N 0 2 414.384 3.786 20 0 HHADLN Cc1nnc(-c2cc(F)ccc2NS(=O)(=O)c2ccccc2OC(F)(F)F)o1 ZINC000475832330 996400850 /nfs/dbraw/zinc/40/08/50/996400850.db2.gz JLSDNZDSNWZZEA-UHFFFAOYSA-N 0 2 417.340 3.884 20 0 HHADLN CC(C)Oc1cc(F)ccc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000484099306 996569539 /nfs/dbraw/zinc/56/95/39/996569539.db2.gz BZNYHSMQEHBFPY-UHFFFAOYSA-N 0 2 400.815 3.502 20 0 HHADLN COC(=O)c1c(OC)ccc(S(=O)(=O)Nc2csc3ccccc23)c1OC ZINC000484115258 996578168 /nfs/dbraw/zinc/57/81/68/996578168.db2.gz LPTKIKIMEQTEFN-UHFFFAOYSA-N 0 2 407.469 3.506 20 0 HHADLN O=C(NCc1n[nH]c(=O)[nH]1)Nc1c(Oc2ccc(Cl)cc2)ccc2ncccc21 ZINC000484153148 996602606 /nfs/dbraw/zinc/60/26/06/996602606.db2.gz AIMQZKNHIBYWNC-UHFFFAOYSA-N 0 2 410.821 3.826 20 0 HHADLN Cc1cc(C)nc(NS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)n1 ZINC000476221811 996686620 /nfs/dbraw/zinc/68/66/20/996686620.db2.gz HWVCXEJBCQDGMY-UHFFFAOYSA-N 0 2 411.108 3.964 20 0 HHADLN CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000484339532 996713384 /nfs/dbraw/zinc/71/33/84/996713384.db2.gz GKFVRMXBGFXTKB-CYBMUJFWSA-N 0 2 408.911 3.618 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)CCCOc3ccc(C(C)=O)cc3)s[nH]2)c1 ZINC000476320309 996754103 /nfs/dbraw/zinc/75/41/03/996754103.db2.gz FMOJLLRKQDYMDB-UHFFFAOYSA-N 0 2 411.483 3.636 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000484487478 996810171 /nfs/dbraw/zinc/81/01/71/996810171.db2.gz KNPRUCZEZUYHRK-UHFFFAOYSA-N 0 2 406.460 3.868 20 0 HHADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc(OC(C)C)nc1 ZINC000476384623 996827277 /nfs/dbraw/zinc/82/72/77/996827277.db2.gz BQNAKFSZIWIMNC-UHFFFAOYSA-N 0 2 415.309 3.749 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(Br)ccc1C ZINC000484515634 996846396 /nfs/dbraw/zinc/84/63/96/996846396.db2.gz PNFFPONZYJGSMQ-UHFFFAOYSA-N 0 2 402.266 3.500 20 0 HHADLN Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)ccc2o1 ZINC000476408822 996868780 /nfs/dbraw/zinc/86/87/80/996868780.db2.gz SISYQFCCPBHPFB-UHFFFAOYSA-N 0 2 414.468 3.646 20 0 HHADLN CC(C)(C)C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476411921 996872414 /nfs/dbraw/zinc/87/24/14/996872414.db2.gz QUTOTKMHUYGWEB-HNNXBMFYSA-N 0 2 407.561 3.985 20 0 HHADLN O=C(Nc1nc2ccccc2s1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476417493 996881419 /nfs/dbraw/zinc/88/14/19/996881419.db2.gz JYNDWUPEBTWCSY-UHFFFAOYSA-N 0 2 416.509 3.806 20 0 HHADLN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476423513 996890187 /nfs/dbraw/zinc/89/01/87/996890187.db2.gz BQPMNNVSVKSIKB-UKPHBRMFSA-N 0 2 405.545 3.737 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cccc(COCc2ccco2)c1 ZINC000484622087 996955346 /nfs/dbraw/zinc/95/53/46/996955346.db2.gz ROWGCBCTQPFLOT-UHFFFAOYSA-N 0 2 419.455 3.739 20 0 HHADLN CC(C)c1csc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)n1 ZINC000476695801 997235545 /nfs/dbraw/zinc/23/55/45/997235545.db2.gz JSXYVEXEFPFCNP-UHFFFAOYSA-N 0 2 408.530 3.776 20 0 HHADLN CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476697722 997237936 /nfs/dbraw/zinc/23/79/36/997237936.db2.gz VSXKPEFDLUCAPD-YOEHRIQHSA-N 0 2 407.561 3.985 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCC2(C1)CCCCC2 ZINC000476702603 997244310 /nfs/dbraw/zinc/24/43/10/997244310.db2.gz VQXVCNKSFBONBT-UHFFFAOYSA-N 0 2 405.545 3.740 20 0 HHADLN O=C(Nc1nc2c(s1)CCCC2)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476758385 997315166 /nfs/dbraw/zinc/31/51/66/997315166.db2.gz IGXGKEHHYCKNAE-UHFFFAOYSA-N 0 2 420.541 3.532 20 0 HHADLN C[C@@H](CNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)cc1 ZINC000476764276 997321773 /nfs/dbraw/zinc/32/17/73/997321773.db2.gz OWCSCNWYQQAGEY-ZDUSSCGKSA-N 0 2 419.503 3.617 20 0 HHADLN CC(C)Oc1ncccc1NS(=O)(=O)c1cc(Br)c(F)cc1F ZINC000485007571 997372235 /nfs/dbraw/zinc/37/22/35/997372235.db2.gz YASDOLRQLFMRGZ-UHFFFAOYSA-N 0 2 407.236 3.710 20 0 HHADLN CCC(=O)Nc1ccc(NS(=O)(=O)c2cc(Br)c(F)cc2F)cc1 ZINC000485042694 997408066 /nfs/dbraw/zinc/40/80/66/997408066.db2.gz MJWXDWMEFGCXFR-UHFFFAOYSA-N 0 2 419.247 3.877 20 0 HHADLN Cc1nc(CC2CC2)oc1C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000476921552 997532995 /nfs/dbraw/zinc/53/29/95/997532995.db2.gz YPHQSGGMCNPXIS-UHFFFAOYSA-N 0 2 420.242 3.875 20 0 HHADLN CO[C@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000485174138 997555336 /nfs/dbraw/zinc/55/53/36/997555336.db2.gz PXZMYBVSXNLWDS-SNVBAGLBSA-N 0 2 420.384 3.619 20 0 HHADLN COc1ccc(NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1 ZINC000485364047 997789336 /nfs/dbraw/zinc/78/93/36/997789336.db2.gz RSNCETZFDVOJSZ-UHFFFAOYSA-N 0 2 404.473 3.597 20 0 HHADLN CN(C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C(C1CC1)C1CC1 ZINC000485367470 997793152 /nfs/dbraw/zinc/79/31/52/997793152.db2.gz TULOCMFJLFMXPX-UHFFFAOYSA-N 0 2 406.533 3.596 20 0 HHADLN C[C@H]1CCCC[C@H]1CNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485370122 997795425 /nfs/dbraw/zinc/79/54/25/997795425.db2.gz AOVZXOIJWXOCAR-KBPBESRZSA-N 0 2 408.549 3.892 20 0 HHADLN C[C@@H]1CCC[C@@H](C)N(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000485374803 997801157 /nfs/dbraw/zinc/80/11/57/997801157.db2.gz XHNXRBVJXNTFDW-ZIAGYGMSSA-N 0 2 408.549 3.986 20 0 HHADLN COc1cc(C)c(NS(=O)(=O)c2cc(Br)c(F)cc2F)cc1OC ZINC000485375374 997802145 /nfs/dbraw/zinc/80/21/45/997802145.db2.gz HTNDHRVDZAMQSP-UHFFFAOYSA-N 0 2 422.247 3.854 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)C[C@@H]1CCC(=O)[C@@H]1C ZINC000477155280 997815334 /nfs/dbraw/zinc/81/53/34/997815334.db2.gz CRPPZUQOIIYLPQ-CABCVRRESA-N 0 2 418.490 3.879 20 0 HHADLN Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000485450890 997891985 /nfs/dbraw/zinc/89/19/85/997891985.db2.gz JHFVHLPZSYJYAF-UHFFFAOYSA-N 0 2 404.385 3.656 20 0 HHADLN O=C(CCCc1ccccc1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485489181 997941571 /nfs/dbraw/zinc/94/15/71/997941571.db2.gz JJMAGHCGHJCMMN-UHFFFAOYSA-N 0 2 401.513 3.905 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2cc(C)cc(Br)c2O)c1 ZINC000477338232 998026165 /nfs/dbraw/zinc/02/61/65/998026165.db2.gz LMPMJYYFKLTRFS-UHFFFAOYSA-N 0 2 406.685 3.926 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2)c(Br)c1 ZINC000477395892 998082362 /nfs/dbraw/zinc/08/23/62/998082362.db2.gz VMQMRLULFZCBOY-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN O=S(=O)(Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)c1ccccc1F ZINC000477423489 998113718 /nfs/dbraw/zinc/11/37/18/998113718.db2.gz NMHLMVFZCXFEGP-UHFFFAOYSA-N 0 2 408.458 3.933 20 0 HHADLN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000477473975 998192598 /nfs/dbraw/zinc/19/25/98/998192598.db2.gz UQILEPVNEXNWBM-QMMMGPOBSA-N 0 2 404.462 3.516 20 0 HHADLN O=C(N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000478002413 998708693 /nfs/dbraw/zinc/70/86/93/998708693.db2.gz NRWDWPCFRQKHJV-RBUKOAKNSA-N 0 2 419.872 3.703 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)ccc1F ZINC000486541689 998815724 /nfs/dbraw/zinc/81/57/24/998815724.db2.gz RNIRONWDPYBKGJ-UHFFFAOYSA-N 0 2 401.250 3.822 20 0 HHADLN CC(=O)c1cccc(S(=O)(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)c1 ZINC000486543035 998816653 /nfs/dbraw/zinc/81/66/53/998816653.db2.gz VJJKAFFTLMAAPD-UHFFFAOYSA-N 0 2 411.270 3.578 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccc2c(c1)CCC2 ZINC000486543726 998816948 /nfs/dbraw/zinc/81/69/48/998816948.db2.gz HZOWGFNKSXJTMQ-UHFFFAOYSA-N 0 2 409.298 3.864 20 0 HHADLN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S(=O)(=O)Cc2ccc(C3CCC3)cc2)c1C ZINC000486567335 998830771 /nfs/dbraw/zinc/83/07/71/998830771.db2.gz QQABJVZVGPMHTG-HNNXBMFYSA-N 0 2 417.527 3.872 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000486575058 998836463 /nfs/dbraw/zinc/83/64/63/998836463.db2.gz XYTVBVNGUVJLFB-UHFFFAOYSA-N 0 2 401.941 3.592 20 0 HHADLN COC(=O)CCc1csc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)n1 ZINC000486579999 998838890 /nfs/dbraw/zinc/83/88/90/998838890.db2.gz GVCSUMFSAJNQBK-UHFFFAOYSA-N 0 2 402.497 3.717 20 0 HHADLN COC(=O)CCc1csc(NS(=O)(=O)c2c(Cl)ccc3ccccc32)n1 ZINC000486582906 998840521 /nfs/dbraw/zinc/84/05/21/998840521.db2.gz FFLOZZMYFQXGPF-UHFFFAOYSA-N 0 2 410.904 3.856 20 0 HHADLN COC(=O)CCc1csc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)n1 ZINC000486589965 998844306 /nfs/dbraw/zinc/84/43/06/998844306.db2.gz NEVXZEKONOZOKR-UHFFFAOYSA-N 0 2 409.316 3.665 20 0 HHADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCO[C@@H](c2cccc(F)c2)C1 ZINC000478287422 998866076 /nfs/dbraw/zinc/86/60/76/998866076.db2.gz WYMMHKHYIOPNOY-GOSISDBHSA-N 0 2 401.825 3.584 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cnn2c1nccc2-c1ccccc1 ZINC000478312131 998880330 /nfs/dbraw/zinc/88/03/30/998880330.db2.gz KUSTVTLSDLYIDU-UHFFFAOYSA-N 0 2 417.379 3.712 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 ZINC000486747673 998920394 /nfs/dbraw/zinc/92/03/94/998920394.db2.gz MWWWTMYJKBOVPX-UHFFFAOYSA-N 0 2 403.529 3.811 20 0 HHADLN CCOC(=O)c1cnc(C)c(NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c1 ZINC000486747565 998920535 /nfs/dbraw/zinc/92/05/35/998920535.db2.gz MJBGPNKGGXHIPM-UHFFFAOYSA-N 0 2 419.286 3.683 20 0 HHADLN O=C(C1=NN(c2ccccc2)CC1=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000486763795 998929787 /nfs/dbraw/zinc/92/97/87/998929787.db2.gz BNFDTWMTSFXVRH-HNNXBMFYSA-N 0 2 408.527 3.933 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)c1 ZINC000486785544 998939285 /nfs/dbraw/zinc/93/92/85/998939285.db2.gz JLNFSRFGTRLMDZ-UHFFFAOYSA-N 0 2 420.487 3.851 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000486920738 999007274 /nfs/dbraw/zinc/00/72/74/999007274.db2.gz UHRBCMQEUHSRHI-UHFFFAOYSA-N 0 2 413.377 3.617 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3[nH]c4c(c3C)C(=O)CC(C)(C)C4)s[nH]2)c1 ZINC000478664946 999077628 /nfs/dbraw/zinc/07/76/28/999077628.db2.gz CCEIELRXDXIMKH-UHFFFAOYSA-N 0 2 410.499 3.680 20 0 HHADLN COc1cc(NS(=O)(=O)c2cccc3cc(C)cnc32)c(OC)c(C)c1OC ZINC000478678892 999084607 /nfs/dbraw/zinc/08/46/07/999084607.db2.gz VRDLQRGYQLEJNG-UHFFFAOYSA-N 0 2 402.472 3.678 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)cc1OC ZINC000478706288 999098183 /nfs/dbraw/zinc/09/81/83/999098183.db2.gz UHFHNPMFCMMBBA-UHFFFAOYSA-N 0 2 404.271 3.898 20 0 HHADLN COc1ccc(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1NC(N)=O ZINC000487382201 999154507 /nfs/dbraw/zinc/15/45/07/999154507.db2.gz UWOWWKNTCGRQNT-UHFFFAOYSA-N 0 2 423.800 3.659 20 0 HHADLN Cc1cccc(CC2(O)CCN(C(=O)N=c3nc(-c4ccccc4)[nH]s3)CC2)c1 ZINC000478898443 999200298 /nfs/dbraw/zinc/20/02/98/999200298.db2.gz DIIOABJRZTVSKJ-UHFFFAOYSA-N 0 2 408.527 3.537 20 0 HHADLN COc1cc(C(C)NC(=O)N2CCn3cnnc3C2C)ccc1OCc1ccccc1 ZINC000478925922 999210801 /nfs/dbraw/zinc/21/08/01/999210801.db2.gz LXKITHDHLQRQRK-IRXDYDNUSA-N 0 2 421.501 3.713 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cccc(COC2CCOCC2)c1 ZINC000487746865 999275389 /nfs/dbraw/zinc/27/53/89/999275389.db2.gz DHQWUGPURCLXRO-UHFFFAOYSA-N 0 2 401.513 3.636 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc3ncsc3c2)nc1C1CCCC1 ZINC000479160647 999302498 /nfs/dbraw/zinc/30/24/98/999302498.db2.gz SRNVXFLCQFHLAP-UHFFFAOYSA-N 0 2 423.541 3.998 20 0 HHADLN O=S(=O)(Nc1c(-c2cccnc2)nc2ccccn21)c1ccc2ncsc2c1 ZINC000479159627 999302633 /nfs/dbraw/zinc/30/26/33/999302633.db2.gz RPPDIIIGHDDURZ-UHFFFAOYSA-N 0 2 407.480 3.807 20 0 HHADLN O=S(=O)(Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccc2c(c1)COC2 ZINC000479163273 999304268 /nfs/dbraw/zinc/30/42/68/999304268.db2.gz SYVUFCJDDRGVSP-UHFFFAOYSA-N 0 2 411.867 3.829 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)c(OC)c1 ZINC000488276011 999420344 /nfs/dbraw/zinc/42/03/44/999420344.db2.gz BXVMJYVHYMESBE-UHFFFAOYSA-N 0 2 407.488 3.835 20 0 HHADLN CCCOc1ccc(NS(=O)(=O)c2c(OC)cc(OC)cc2OC)cc1Cl ZINC000488289565 999425421 /nfs/dbraw/zinc/42/54/21/999425421.db2.gz FVEPCPMQLZFLAC-UHFFFAOYSA-N 0 2 415.895 3.955 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c(OC)c1 ZINC000488295304 999427449 /nfs/dbraw/zinc/42/74/49/999427449.db2.gz PDKRZHCPQGALAM-UHFFFAOYSA-N 0 2 423.821 3.768 20 0 HHADLN O=S(=O)(Nc1ccccc1COc1ccccc1)c1cnn(CC(F)(F)F)c1 ZINC000479482923 999437468 /nfs/dbraw/zinc/43/74/68/999437468.db2.gz XMBVDHCOKBQTQI-UHFFFAOYSA-N 0 2 411.405 3.825 20 0 HHADLN COc1cc2nc(C)sc2cc1NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000479502398 999447363 /nfs/dbraw/zinc/44/73/63/999447363.db2.gz YQGFRMWVEKQLJT-BUXKBTBVSA-N 0 2 408.545 3.750 20 0 HHADLN Cc1c(COC(C)(C)C)cccc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000479508496 999450769 /nfs/dbraw/zinc/45/07/69/999450769.db2.gz GREUBVIQTHOXCU-UHFFFAOYSA-N 0 2 405.442 3.870 20 0 HHADLN Cc1cccc(F)c1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000479507994 999450806 /nfs/dbraw/zinc/45/08/06/999450806.db2.gz DVIOTYJWNYLPBJ-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN COc1cc(OC)c(NS(=O)(=O)c2cc(C)c(F)cc2F)cc1Br ZINC000488349050 999451956 /nfs/dbraw/zinc/45/19/56/999451956.db2.gz KAZSSULYSABZGC-UHFFFAOYSA-N 0 2 422.247 3.854 20 0 HHADLN COc1ccccc1Oc1ccc(NS(=O)(=O)c2c(C)nn(C)c2C)cc1F ZINC000479516258 999454959 /nfs/dbraw/zinc/45/49/59/999454959.db2.gz UXCKNRZWMDUKOD-UHFFFAOYSA-N 0 2 405.451 3.778 20 0 HHADLN COCCOc1c(Cl)cccc1NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000479516937 999455484 /nfs/dbraw/zinc/45/54/84/999455484.db2.gz ODKWONJSKKSDON-DJJJIMSYSA-N 0 2 415.939 3.502 20 0 HHADLN COc1ccc(OCCS(=O)(=O)Nc2ccc(OC(F)F)c3cccnc23)cc1 ZINC000479530168 999463431 /nfs/dbraw/zinc/46/34/31/999463431.db2.gz MFYYVAHPAKWGTI-UHFFFAOYSA-N 0 2 424.425 3.666 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2ccc(OC(F)F)c3cccnc23)c1 ZINC000479551562 999473648 /nfs/dbraw/zinc/47/36/48/999473648.db2.gz FLMLFJDKGMNJDU-UHFFFAOYSA-N 0 2 410.398 3.654 20 0 HHADLN C[C@H]1Cc2cc(S(=O)(=O)Nc3nnc(Cc4ccc(Cl)cc4)s3)ccc2O1 ZINC000488406264 999477514 /nfs/dbraw/zinc/47/75/14/999477514.db2.gz ADPKYCRBBPFESX-NSHDSACASA-N 0 2 421.931 3.907 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1cnn(CC(F)F)c1 ZINC000488597517 999540972 /nfs/dbraw/zinc/54/09/72/999540972.db2.gz PCWRUKFWBDMNMZ-ZDUSSCGKSA-N 0 2 424.498 3.678 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2nc3c(s2)CCCCCC3)c(OC)c1 ZINC000488598709 999541443 /nfs/dbraw/zinc/54/14/43/999541443.db2.gz RUCQEPDZZJXPCH-UHFFFAOYSA-N 0 2 412.533 3.629 20 0 HHADLN COc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1Br ZINC000479759565 999576460 /nfs/dbraw/zinc/57/64/60/999576460.db2.gz ZPZLNOHMXJDICQ-UHFFFAOYSA-N 0 2 409.190 3.773 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C(C)C)cnn1-c1ccccn1 ZINC000479992779 999677841 /nfs/dbraw/zinc/67/78/41/999677841.db2.gz PGJQWUUFQHKZKC-UHFFFAOYSA-N 0 2 422.514 3.821 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1C ZINC000479993441 999678165 /nfs/dbraw/zinc/67/81/65/999678165.db2.gz LSTYIEVPWFTBAN-UHFFFAOYSA-N 0 2 423.903 3.754 20 0 HHADLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1ccc(Oc2cccc(Cl)c2Cl)cc1 ZINC000480023626 999690773 /nfs/dbraw/zinc/69/07/73/999690773.db2.gz ZNVFEBZTJLOZTB-UHFFFAOYSA-N 0 2 407.257 3.972 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000480176254 999736996 /nfs/dbraw/zinc/73/69/96/999736996.db2.gz GICNUSLXJSNWMW-CJNGLKHVSA-N 0 2 418.881 3.759 20 0 HHADLN Cc1noc([C@@H]2CCCCN2C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)n1 ZINC000480181536 999738446 /nfs/dbraw/zinc/73/84/46/999738446.db2.gz SEIFQRWXKKQZFR-ZDUSSCGKSA-N 0 2 404.883 3.731 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)cc2)c(F)c1 ZINC000480205218 999744629 /nfs/dbraw/zinc/74/46/29/999744629.db2.gz VCGVWPREHXANBW-UHFFFAOYSA-N 0 2 417.340 3.704 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)cc(Cl)c1F ZINC000480210331 999746368 /nfs/dbraw/zinc/74/63/68/999746368.db2.gz SGIKJKJBMHQDLY-UHFFFAOYSA-N 0 2 417.890 3.536 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1C(C)C ZINC000480225369 999749931 /nfs/dbraw/zinc/74/99/31/999749931.db2.gz KEEIGKVGCUWTDI-UHFFFAOYSA-N 0 2 405.499 3.932 20 0 HHADLN CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)s1 ZINC000490082103 999890318 /nfs/dbraw/zinc/89/03/18/999890318.db2.gz CQMXRLNFJCSUQL-UHFFFAOYSA-N 0 2 422.557 3.950 20 0 HHADLN Cc1cccc(-n2cc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4)n[nH]3)nn2)c1 ZINC000490608856 999983773 /nfs/dbraw/zinc/98/37/73/999983773.db2.gz OJMRDILBOVQXPV-UHFFFAOYSA-N 0 2 413.363 3.632 20 0 HHADLN C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 ZINC000491558922 1000083490 /nfs/dbraw/zinc/08/34/90/1000083490.db2.gz HUJMNMYIRXKQBA-KBPBESRZSA-N 0 2 424.592 3.569 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cc(Cl)c(F)c(Cl)c3)cnc2c1Cl ZINC000491582525 1000085801 /nfs/dbraw/zinc/08/58/01/1000085801.db2.gz ZIJXMTNYXVBFFS-UHFFFAOYSA-N 0 2 409.657 3.938 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cccc(Cl)c2Br)c(OC)c1 ZINC000491757843 1000094233 /nfs/dbraw/zinc/09/42/33/1000094233.db2.gz DEGHFJDQYOYYFU-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc3[nH]c(-c4ccccc4)nc3c2)c(C)o1 ZINC000491815471 1000095590 /nfs/dbraw/zinc/09/55/90/1000095590.db2.gz NEKZXSOQMBKTPH-UHFFFAOYSA-N 0 2 411.439 3.719 20 0 HHADLN CN(C)c1cccc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)c1 ZINC000493105560 1000157781 /nfs/dbraw/zinc/15/77/81/1000157781.db2.gz MGMWBVUIPDEZAJ-UHFFFAOYSA-N 0 2 406.558 3.697 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)NCCc2ccc(O)cc2)cc1 ZINC000504654257 1000310930 /nfs/dbraw/zinc/31/09/30/1000310930.db2.gz VSRDKHYKBQXHSL-UHFFFAOYSA-N 0 2 416.524 3.535 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1csc(C2CC2)n1 ZINC000494125604 1000319503 /nfs/dbraw/zinc/31/95/03/1000319503.db2.gz FCRNZBNMSXZYAA-UHFFFAOYSA-N 0 2 406.514 3.530 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N[C@@H]1CC2CCC1CC2 ZINC000494135279 1000324584 /nfs/dbraw/zinc/32/45/84/1000324584.db2.gz HDJTXQZIDXSZEN-SEEARECTSA-N 0 2 406.533 3.644 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N[C@H]1CCCC(F)(F)C1 ZINC000494135278 1000324730 /nfs/dbraw/zinc/32/47/30/1000324730.db2.gz HDGPSPHPUOAAEH-LBPRGKRZSA-N 0 2 416.475 3.643 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000494245015 1000384447 /nfs/dbraw/zinc/38/44/47/1000384447.db2.gz NLCKMEATSPPVKK-RTBURBONSA-N 0 2 416.510 3.874 20 0 HHADLN CC(=O)N1CCC[C@H](C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)C1 ZINC000505176547 1000597782 /nfs/dbraw/zinc/59/77/82/1000597782.db2.gz LIWJRWNRSGRIEH-KRWDZBQOSA-N 0 2 422.510 3.616 20 0 HHADLN Cc1n[nH]c(=O)c(C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)c1C ZINC000505176801 1000598068 /nfs/dbraw/zinc/59/80/68/1000598068.db2.gz NYBRAHGIDSCNHP-UHFFFAOYSA-N 0 2 419.466 3.784 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)c(C)s1 ZINC000494678739 1000599805 /nfs/dbraw/zinc/59/98/05/1000599805.db2.gz FVPUKMUCPZVJMS-UHFFFAOYSA-N 0 2 422.553 3.967 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)C1CCN(CC(F)(F)F)CC1 ZINC000505274959 1000663179 /nfs/dbraw/zinc/66/31/79/1000663179.db2.gz QCBAJKMWIMAUAL-UHFFFAOYSA-N 0 2 422.238 3.991 20 0 HHADLN Cc1cc(=O)c(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cn1C1CC1 ZINC000505288342 1000673766 /nfs/dbraw/zinc/67/37/66/1000673766.db2.gz VJIAPJVMDXJJFW-UHFFFAOYSA-N 0 2 404.257 3.836 20 0 HHADLN O=C(N[C@@H](CO)c1ccsc1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000505590789 1000924129 /nfs/dbraw/zinc/92/41/29/1000924129.db2.gz KAJYFUGXBFBPRO-FQEVSTJZSA-N 0 2 406.463 3.845 20 0 HHADLN O=C(C[C@H](c1cccs1)n1cccc1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000505601971 1000928893 /nfs/dbraw/zinc/92/88/93/1000928893.db2.gz JEWZRKGIDQJMIT-QGZVFWFLSA-N 0 2 407.499 3.543 20 0 HHADLN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1c(F)cccc1F ZINC000495404756 1001000740 /nfs/dbraw/zinc/00/07/40/1001000740.db2.gz MRVHFGOWNCRSFY-LLVKDONJSA-N 0 2 423.466 3.964 20 0 HHADLN CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)s1 ZINC000497562209 1001436423 /nfs/dbraw/zinc/43/64/23/1001436423.db2.gz WNDMFZBBSRUMSX-UHFFFAOYSA-N 0 2 408.545 3.549 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cnn(C(C)(C)C)c1 ZINC000506609104 1001470221 /nfs/dbraw/zinc/47/02/21/1001470221.db2.gz APABTPWCUNIYMM-UHFFFAOYSA-N 0 2 406.291 3.532 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2c(C)cccc2OC(F)F)c1 ZINC000506647325 1001482101 /nfs/dbraw/zinc/48/21/01/1001482101.db2.gz VGWPACBYGQFYBO-UHFFFAOYSA-N 0 2 415.414 3.583 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccccc2OC[C@H]2CCCCO2)c1 ZINC000506725414 1001506258 /nfs/dbraw/zinc/50/62/58/1001506258.db2.gz HSRBBECBUJGWMF-QGZVFWFLSA-N 0 2 421.515 3.590 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2ccc(N3CCCCC3)cn2)c1 ZINC000497847480 1001535475 /nfs/dbraw/zinc/53/54/75/1001535475.db2.gz HCSOQQNYOKCJFD-UHFFFAOYSA-N 0 2 410.337 3.944 20 0 HHADLN CCCCc1nnc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)s1 ZINC000506804155 1001538544 /nfs/dbraw/zinc/53/85/44/1001538544.db2.gz AQQKBBJEVOTEOS-UHFFFAOYSA-N 0 2 424.331 3.775 20 0 HHADLN CCOC(=O)c1ccc(-n2ccnc2)c(NS(=O)(=O)c2cc(C)ccc2Cl)c1 ZINC000497861709 1001540386 /nfs/dbraw/zinc/54/03/86/1001540386.db2.gz DCLPQHDSFKOASW-UHFFFAOYSA-N 0 2 419.890 3.812 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)c1 ZINC000506816124 1001546393 /nfs/dbraw/zinc/54/63/93/1001546393.db2.gz PLUOCSMNRXGVCX-UHFFFAOYSA-N 0 2 419.528 3.778 20 0 HHADLN COc1cccc(-c2nsc(NS(=O)(=O)c3csc4ccccc43)n2)c1 ZINC000506821607 1001549148 /nfs/dbraw/zinc/54/91/48/1001549148.db2.gz NNYITHRZLITDEZ-UHFFFAOYSA-N 0 2 403.510 3.651 20 0 HHADLN COC(=O)CCc1csc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)n1 ZINC000506850824 1001564583 /nfs/dbraw/zinc/56/45/83/1001564583.db2.gz ISIGDQULDNBXJX-UHFFFAOYSA-N 0 2 402.497 3.717 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)c1 ZINC000506851184 1001564852 /nfs/dbraw/zinc/56/48/52/1001564852.db2.gz LZBSTRQYYXZJKB-UHFFFAOYSA-N 0 2 415.515 3.767 20 0 HHADLN Cc1cnn(C)c1S(=O)(=O)Nc1nc(C2CC2)c(Cc2ccccc2F)s1 ZINC000506859559 1001569226 /nfs/dbraw/zinc/56/92/26/1001569226.db2.gz FLHFRCAANOQUNT-UHFFFAOYSA-N 0 2 406.508 3.593 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCO[C@H](Cc4ccccc4)C3)=N2)c1 ZINC000498026589 1001611841 /nfs/dbraw/zinc/61/18/41/1001611841.db2.gz PJSLCSRMNHFXIB-OAQYLSRUSA-N 0 2 405.498 3.785 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2ccccc2N2CCCC2=O)c1 ZINC000498033344 1001615129 /nfs/dbraw/zinc/61/51/29/1001615129.db2.gz SZVCDBJWSGCWDE-UHFFFAOYSA-N 0 2 409.305 3.685 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CC[C@@H](COCc4ccccc4)C3)s[nH]2)c1 ZINC000498223243 1001707257 /nfs/dbraw/zinc/70/72/57/1001707257.db2.gz GRMYQROUUVOEEM-QGZVFWFLSA-N 0 2 424.526 3.706 20 0 HHADLN Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1 ZINC000507022949 1001769048 /nfs/dbraw/zinc/76/90/48/1001769048.db2.gz RFVQEBQGYOAMQD-UHFFFAOYSA-N 0 2 424.404 3.790 20 0 HHADLN CC(C)(C)c1cc(CS(=O)(=O)Nc2ccc(F)cc2OC2CCOCC2)no1 ZINC000507581326 1002186256 /nfs/dbraw/zinc/18/62/56/1002186256.db2.gz SGUAYZMPERHPKH-UHFFFAOYSA-N 0 2 412.483 3.611 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc(F)c(C(C)=O)c2)cc1Cl ZINC000507632482 1002234837 /nfs/dbraw/zinc/23/48/37/1002234837.db2.gz AWCKHHREEKAVJT-UHFFFAOYSA-N 0 2 402.806 3.580 20 0 HHADLN CC[C@@H]1CN(C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)CCN1CC(F)F ZINC000498854156 1002238020 /nfs/dbraw/zinc/23/80/20/1002238020.db2.gz BNZQHBBZVXOOEF-MRXNPFEDSA-N 0 2 406.477 3.503 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cnc(CC(C)C)nc1 ZINC000507968411 1002500169 /nfs/dbraw/zinc/50/01/69/1002500169.db2.gz IWWGSEMHCLGUPZ-UHFFFAOYSA-N 0 2 418.302 3.569 20 0 HHADLN Cc1ccccc1C(C)(C)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000508046709 1002568974 /nfs/dbraw/zinc/56/89/74/1002568974.db2.gz SYLNMKDOLBPXFC-UHFFFAOYSA-N 0 2 415.540 3.917 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)F)c2)o1)c1cnc2ccccc2c1 ZINC000508070332 1002592001 /nfs/dbraw/zinc/59/20/01/1002592001.db2.gz VVMJYQYQRYHERR-UHFFFAOYSA-N 0 2 418.381 3.687 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(s2)c(Cl)ccc3C)cc1F ZINC000508080889 1002602120 /nfs/dbraw/zinc/60/21/20/1002602120.db2.gz ASSSRZBVJWRGCN-UHFFFAOYSA-N 0 2 414.867 3.985 20 0 HHADLN CC(C)CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cc[nH+]c3)cn2)cc1 ZINC000508082434 1002603850 /nfs/dbraw/zinc/60/38/50/1002603850.db2.gz HARNXDUQUOEFSB-UHFFFAOYSA-N 0 2 400.504 3.552 20 0 HHADLN Cc1nn(C)c2ncc(S(=O)(=O)Nc3nc4c(s3)c(Cl)ccc4C)cc12 ZINC000508087229 1002610290 /nfs/dbraw/zinc/61/02/90/1002610290.db2.gz FUUPTIVJMRKSQM-UHFFFAOYSA-N 0 2 407.908 3.649 20 0 HHADLN Cc1ccc(Cl)c2sc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)nc21 ZINC000508090787 1002614089 /nfs/dbraw/zinc/61/40/89/1002614089.db2.gz XUWOWNRNZZTSOS-UHFFFAOYSA-N 0 2 409.920 3.761 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2C(F)(F)F)cn1C ZINC000508092727 1002616075 /nfs/dbraw/zinc/61/60/75/1002616075.db2.gz FEBZSGXWKAUNNJ-UHFFFAOYSA-N 0 2 410.801 3.675 20 0 HHADLN O=S(=O)(Nc1nc2c(cccc2Br)s1)c1cncc(Cl)c1 ZINC000508104768 1002629225 /nfs/dbraw/zinc/62/92/25/1002629225.db2.gz UVCRTJRNOFVZDW-UHFFFAOYSA-N 0 2 404.698 3.908 20 0 HHADLN Cc1sc(Br)cc1S(=O)(=O)Nc1nc(C2CCOCC2)cs1 ZINC000508111651 1002638878 /nfs/dbraw/zinc/63/88/78/1002638878.db2.gz WJKJSPVJAHLSLU-UHFFFAOYSA-N 0 2 423.379 3.970 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2nnc(-c3cccc(OC(F)F)c3)o2)cc1F ZINC000508121494 1002649942 /nfs/dbraw/zinc/64/99/42/1002649942.db2.gz XGZBSDHUIRQITH-UHFFFAOYSA-N 0 2 417.340 3.725 20 0 HHADLN COc1cc(Cl)c(S(=O)(=O)Nc2ncc(-c3ccccn3)s2)cc1OC ZINC000508124279 1002654151 /nfs/dbraw/zinc/65/41/51/1002654151.db2.gz FCUZDPNFHHUUPV-UHFFFAOYSA-N 0 2 411.892 3.677 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3C)cnc2c1Cl ZINC000499261699 1002663862 /nfs/dbraw/zinc/66/38/62/1002663862.db2.gz DQXOUHBDQBWKRM-UHFFFAOYSA-N 0 2 404.801 3.819 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3cccc(OC(F)F)c3)o2)c(F)cc1F ZINC000508135399 1002667564 /nfs/dbraw/zinc/66/75/64/1002667564.db2.gz XDDKZZRNPQFVJI-UHFFFAOYSA-N 0 2 417.340 3.725 20 0 HHADLN Cn1cc(S(=O)(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cn3)c(F)c2)cn1 ZINC000499267656 1002672758 /nfs/dbraw/zinc/67/27/58/1002672758.db2.gz BDWQMYQVCDYLKE-UHFFFAOYSA-N 0 2 416.356 3.566 20 0 HHADLN COC(=O)c1ncc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1Cl ZINC000508148117 1002682920 /nfs/dbraw/zinc/68/29/20/1002682920.db2.gz YWSOYALGHSHZSZ-UHFFFAOYSA-N 0 2 402.859 3.989 20 0 HHADLN CN(C1CCCCC1)S(=O)(=O)c1ccccc1NS(=O)(=O)c1ccsc1 ZINC000508193221 1002728287 /nfs/dbraw/zinc/72/82/87/1002728287.db2.gz HWPATXJCQZCPEE-UHFFFAOYSA-N 0 2 414.574 3.502 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1-n1cccn1)c1ccccc1-c1ccno1 ZINC000499339070 1002741029 /nfs/dbraw/zinc/74/10/29/1002741029.db2.gz CXBKCLKHCVCWAG-UHFFFAOYSA-N 0 2 400.847 3.982 20 0 HHADLN O=S(=O)(Nc1ncn(-c2ccccc2)n1)c1cc(Cl)ccc1C(F)(F)F ZINC000508215097 1002746031 /nfs/dbraw/zinc/74/60/31/1002746031.db2.gz NSSIRTXZFNJYAJ-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN COc1cccc(-c2nnc(NS(=O)(=O)c3csc4ccccc43)o2)c1OC ZINC000508215570 1002746866 /nfs/dbraw/zinc/74/68/66/1002746866.db2.gz POQQEBMSCKLEEC-UHFFFAOYSA-N 0 2 417.468 3.769 20 0 HHADLN CN(Cc1cccc(Br)c1)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499545867 1002928634 /nfs/dbraw/zinc/92/86/34/1002928634.db2.gz LQDGHOZYIXPJJA-UHFFFAOYSA-N 0 2 404.239 3.752 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H]2CCCC(F)(F)C2)c(F)c1Cl ZINC000499737413 1003083093 /nfs/dbraw/zinc/08/30/93/1003083093.db2.gz ZWTJWABBHBZKCQ-VIFPVBQESA-N 0 2 416.824 3.680 20 0 HHADLN CN(Cc1cc(Br)cs1)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499792447 1003127980 /nfs/dbraw/zinc/12/79/80/1003127980.db2.gz AFUREOFWFJQFNZ-UHFFFAOYSA-N 0 2 410.268 3.813 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC(Nc4cccc(C)c4)CC3)=N2)cc1 ZINC000499836987 1003173546 /nfs/dbraw/zinc/17/35/46/1003173546.db2.gz KMDASOOTTOLLHC-UHFFFAOYSA-N 0 2 406.486 3.612 20 0 HHADLN COc1ccccc1CC1CCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)CC1 ZINC000499846813 1003183408 /nfs/dbraw/zinc/18/34/08/1003183408.db2.gz QMHNMMZPNGAHED-UHFFFAOYSA-N 0 2 409.461 3.821 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](C)c3nc(C(C)(C)C)cs3)=N2)cc1 ZINC000499865536 1003202580 /nfs/dbraw/zinc/20/25/80/1003202580.db2.gz VWULTQLWQGHTDK-LBPRGKRZSA-N 0 2 400.504 3.832 20 0 HHADLN C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1nc(-c2ccncc2)cs1 ZINC000499980253 1003295830 /nfs/dbraw/zinc/29/58/30/1003295830.db2.gz FKPHVXQBESLUNV-LBPRGKRZSA-N 0 2 409.446 3.727 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCCCC[C@H]3CC(=O)c3ccco3)=N2)cc1 ZINC000500142666 1003501568 /nfs/dbraw/zinc/50/15/68/1003501568.db2.gz GPCZUBDOQHJVTF-KRWDZBQOSA-N 0 2 423.469 3.837 20 0 HHADLN O=C(C[C@@H]1CCCCCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1ccco1 ZINC000500147252 1003504790 /nfs/dbraw/zinc/50/47/90/1003504790.db2.gz NFNPRSXKADIVSC-KRWDZBQOSA-N 0 2 411.433 3.968 20 0 HHADLN C[S@@](=O)Cc1cccc(NS(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000509084081 1003541048 /nfs/dbraw/zinc/54/10/48/1003541048.db2.gz QGEWAWDVSMPORD-OAQYLSRUSA-N 0 2 422.753 3.782 20 0 HHADLN COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2cccc3c2OCO3)cn1 ZINC000509097091 1003550609 /nfs/dbraw/zinc/55/06/09/1003550609.db2.gz IDZJWHXTOUUJBT-UHFFFAOYSA-N 0 2 414.439 3.720 20 0 HHADLN O=C(Nc1cccc(F)c1)c1cccc(NS(=O)(=O)c2cccc3c2OCO3)c1 ZINC000509102606 1003553487 /nfs/dbraw/zinc/55/34/87/1003553487.db2.gz HKDYFJBBSGSHPN-UHFFFAOYSA-N 0 2 414.414 3.608 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NCc3cccc(-c4ccccn4)c3)=N2)cc1 ZINC000500291750 1003603601 /nfs/dbraw/zinc/60/36/01/1003603601.db2.gz QVODIYXREOGXDA-UHFFFAOYSA-N 0 2 400.438 3.579 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(Cc3ccccc3)CC3(O)CCCC3)=N2)cc1 ZINC000500303123 1003609808 /nfs/dbraw/zinc/60/98/08/1003609808.db2.gz JXMPVGHTBXLXOM-UHFFFAOYSA-N 0 2 421.497 3.534 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2cccc3c2OCO3)s1)c1ccccc1 ZINC000509202940 1003621429 /nfs/dbraw/zinc/62/14/29/1003621429.db2.gz MVINYSNPKZRWFU-CYBMUJFWSA-N 0 2 403.485 3.610 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3cc(C)cc(C)c3OC)s2)c1 ZINC000509204548 1003622697 /nfs/dbraw/zinc/62/26/97/1003622697.db2.gz XAILGNZYUNHXTQ-UHFFFAOYSA-N 0 2 419.528 3.564 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nc2ccc(NC(C)=O)cc2s1 ZINC000509205342 1003623365 /nfs/dbraw/zinc/62/33/65/1003623365.db2.gz IPRBALWSGAUNDT-UHFFFAOYSA-N 0 2 405.501 3.681 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(Cc3ccnc(OC(C)C)c3)C3CC3)=N2)cc1 ZINC000500326613 1003625913 /nfs/dbraw/zinc/62/59/13/1003625913.db2.gz QSZGTVRNTKQMFL-UHFFFAOYSA-N 0 2 422.485 3.574 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000509210707 1003626132 /nfs/dbraw/zinc/62/61/32/1003626132.db2.gz KTXHIJDJPYCRKC-UHFFFAOYSA-N 0 2 407.492 3.694 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cnc3ccccc3c2)nc1C(C)C ZINC000509211850 1003627448 /nfs/dbraw/zinc/62/74/48/1003627448.db2.gz OQNAJVDPIKZYIE-UHFFFAOYSA-N 0 2 405.501 3.792 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3cc(C)cc(C)c3OC)o2)cc1 ZINC000509241986 1003648430 /nfs/dbraw/zinc/64/84/30/1003648430.db2.gz UNVKNSYRJDZIJF-UHFFFAOYSA-N 0 2 403.460 3.562 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1N1CCSCC1)c1cc(F)ccc1F ZINC000500353223 1003652246 /nfs/dbraw/zinc/65/22/46/1003652246.db2.gz FUWZURPOXCSEJM-UHFFFAOYSA-N 0 2 404.891 3.972 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3C)o2)cc1 ZINC000509252773 1003655702 /nfs/dbraw/zinc/65/57/02/1003655702.db2.gz DOCAPQPIKVOIJV-UHFFFAOYSA-N 0 2 413.377 3.873 20 0 HHADLN CO[C@@H]1CCC[C@H](Oc2ccnc(NS(=O)(=O)c3cc(C)c(Cl)s3)n2)C1 ZINC000500567709 1003788116 /nfs/dbraw/zinc/78/81/16/1003788116.db2.gz MVKWUVZAXUIPQE-NEPJUHHUSA-N 0 2 417.940 3.637 20 0 HHADLN O=C(CC(F)(F)F)Nc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000509383311 1003812305 /nfs/dbraw/zinc/81/23/05/1003812305.db2.gz BRFBFESJCXGAOP-UHFFFAOYSA-N 0 2 412.311 3.796 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)c(F)c1N1CCOCC1)c1cc(F)ccc1Cl ZINC000509393182 1003824473 /nfs/dbraw/zinc/82/44/73/1003824473.db2.gz WWSITVNYWFPOPD-UHFFFAOYSA-N 0 2 423.268 3.909 20 0 HHADLN CCCC(=O)Nc1cccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)c1C ZINC000509545564 1003936338 /nfs/dbraw/zinc/93/63/38/1003936338.db2.gz WDDPNCDGUMZACR-UHFFFAOYSA-N 0 2 412.515 3.779 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000509565836 1003948383 /nfs/dbraw/zinc/94/83/83/1003948383.db2.gz BKAQYBXREJOYEL-UHFFFAOYSA-N 0 2 410.879 3.522 20 0 HHADLN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1Cl ZINC000509567422 1003949944 /nfs/dbraw/zinc/94/99/44/1003949944.db2.gz JHQXWBKQQSAYCQ-UHFFFAOYSA-N 0 2 402.850 3.901 20 0 HHADLN COc1ccc([C@H](NC(=O)C2=NN(c3ccc(OC)cc3)CC2=O)C(F)(F)F)cc1 ZINC000509604365 1003974179 /nfs/dbraw/zinc/97/41/79/1003974179.db2.gz SVZTUFATNPDVHZ-SFHVURJKSA-N 0 2 421.375 3.629 20 0 HHADLN CO[C@@H](C)c1nc(=NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)s[n-]1 ZINC000509725282 1004053559 /nfs/dbraw/zinc/05/35/59/1004053559.db2.gz DAJNGAHANYQLKA-LBPRGKRZSA-N 0 2 400.470 3.763 20 0 HHADLN C[C@H](NC(=O)c1cccc(Cl)c1Cl)C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000500928005 1004057667 /nfs/dbraw/zinc/05/76/67/1004057667.db2.gz USWOKNDEMCYWNN-VIFPVBQESA-N 0 2 422.247 3.675 20 0 HHADLN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000500944390 1004068258 /nfs/dbraw/zinc/06/82/58/1004068258.db2.gz KNGOFMXVLJFCCL-GOSISDBHSA-N 0 2 409.465 3.702 20 0 HHADLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000510110449 1004330723 /nfs/dbraw/zinc/33/07/23/1004330723.db2.gz UOZOLQJWVZMZIN-UHFFFAOYSA-N 0 2 411.405 3.923 20 0 HHADLN O=C(c1ccccc1SCc1cccs1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510250798 1004425545 /nfs/dbraw/zinc/42/55/45/1004425545.db2.gz GAEVGAHNZAJRTJ-ZDUSSCGKSA-N 0 2 400.529 3.884 20 0 HHADLN O=S(=O)(Nc1nccs1)c1cccc(NCc2cnc([C@@H]3CCCO3)s2)c1 ZINC000512615288 1004427832 /nfs/dbraw/zinc/42/78/32/1004427832.db2.gz VWRBLRBOCBCCMB-HNNXBMFYSA-N 0 2 422.557 3.864 20 0 HHADLN COc1ccc2c(c1)oc(C(=O)N1CCC[C@@H](c3n[nH]c(=O)[nH]3)C1)c2-c1ccccc1 ZINC000510258645 1004431340 /nfs/dbraw/zinc/43/13/40/1004431340.db2.gz ZYVDZHOYVWZEQV-OAHLLOKOSA-N 0 2 418.453 3.952 20 0 HHADLN Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510268227 1004437036 /nfs/dbraw/zinc/43/70/36/1004437036.db2.gz NRMHNKMAOFPLDC-SECBINFHSA-N 0 2 409.924 3.677 20 0 HHADLN CCCCOc1c(Cl)cc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1OCC ZINC000510283237 1004448984 /nfs/dbraw/zinc/44/89/84/1004448984.db2.gz SUZIKYBYSIFZTK-CYBMUJFWSA-N 0 2 422.913 3.761 20 0 HHADLN COc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc(OC)c1C(C)C ZINC000510364579 1004511222 /nfs/dbraw/zinc/51/12/22/1004511222.db2.gz VJKSIJIEKUMYPC-UHFFFAOYSA-N 0 2 401.488 3.810 20 0 HHADLN Cn1c(=O)oc2c1cccc2NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000512728006 1004522479 /nfs/dbraw/zinc/52/24/79/1004522479.db2.gz CAHOIBREUDUILO-UHFFFAOYSA-N 0 2 406.769 3.605 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4c3CCC4)cc2)nc(C)n1 ZINC000512971620 1004738372 /nfs/dbraw/zinc/73/83/72/1004738372.db2.gz JIXYJQLZSOAYQV-UHFFFAOYSA-N 0 2 422.510 3.635 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1)c1cncc(F)c1 ZINC000501858425 1004781206 /nfs/dbraw/zinc/78/12/06/1004781206.db2.gz UPIREMYKKFVQNH-UHFFFAOYSA-N 0 2 404.373 3.843 20 0 HHADLN CC[C@H](c1cccc(OC)c1)N(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000502186396 1004946003 /nfs/dbraw/zinc/94/60/03/1004946003.db2.gz NMOYJWNLYCFMRR-LJQANCHMSA-N 0 2 409.490 3.685 20 0 HHADLN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000502186395 1004946071 /nfs/dbraw/zinc/94/60/71/1004946071.db2.gz NMOYJWNLYCFMRR-IBGZPJMESA-N 0 2 409.490 3.685 20 0 HHADLN COc1cc(N2CCOC(C)(C)C2)ccc1NS(=O)(=O)c1cccc(C)c1F ZINC000513452201 1004973060 /nfs/dbraw/zinc/97/30/60/1004973060.db2.gz LYUWMCSYHJIRJA-UHFFFAOYSA-N 0 2 408.495 3.559 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000513509992 1004997091 /nfs/dbraw/zinc/99/70/91/1004997091.db2.gz XHLUSXUTKCAFRW-QYZOEREBSA-N 0 2 406.511 3.663 20 0 HHADLN Cn1nccc1C1=CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)CC1 ZINC000511138624 1005040169 /nfs/dbraw/zinc/04/01/69/1005040169.db2.gz ONBZBIYDSJPROO-UHFFFAOYSA-N 0 2 421.501 3.814 20 0 HHADLN COc1cc(F)ccc1NS(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000502414368 1005065812 /nfs/dbraw/zinc/06/58/12/1005065812.db2.gz KODZMPPKORMPNT-UHFFFAOYSA-N 0 2 408.220 3.545 20 0 HHADLN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000513818469 1005142920 /nfs/dbraw/zinc/14/29/20/1005142920.db2.gz CTVSRKIIZMTZCQ-UHFFFAOYSA-N 0 2 421.368 3.663 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)c1c[nH]cn1 ZINC000511466071 1005187761 /nfs/dbraw/zinc/18/77/61/1005187761.db2.gz RJLAYDSHWGDLIN-UHFFFAOYSA-N 0 2 411.270 3.770 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1ccc2ccn(C)c2c1 ZINC000502772759 1005211171 /nfs/dbraw/zinc/21/11/71/1005211171.db2.gz HHEOSNLZRBWMSV-UHFFFAOYSA-N 0 2 413.268 3.889 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(F)c3)cc2)nc(C)n1 ZINC000511633044 1005253745 /nfs/dbraw/zinc/25/37/45/1005253745.db2.gz ZBHACVCFTWMWRQ-UHFFFAOYSA-N 0 2 414.462 3.594 20 0 HHADLN CCC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c1 ZINC000503239299 1005374820 /nfs/dbraw/zinc/37/48/20/1005374820.db2.gz XMFHOCPRNVJKLZ-GOSISDBHSA-N 0 2 410.499 3.590 20 0 HHADLN CCC(=O)c1cccc(NS(=O)(=O)c2cc(F)c(Br)cc2OC)c1 ZINC000504034074 1005537323 /nfs/dbraw/zinc/53/73/23/1005537323.db2.gz LVRYFJCILOMKRY-UHFFFAOYSA-N 0 2 416.268 3.990 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000531103059 1005995145 /nfs/dbraw/zinc/99/51/45/1005995145.db2.gz ILYAHMVTHFRTCL-INIZCTEOSA-N 0 2 410.474 3.893 20 0 HHADLN Cn1c(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc2ccccc21 ZINC000531144360 1006016255 /nfs/dbraw/zinc/01/62/55/1006016255.db2.gz JGEQKRIUPBDNDN-UHFFFAOYSA-N 0 2 412.496 3.688 20 0 HHADLN O=C(NCC(C1CC1)C1CC1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000531144503 1006017522 /nfs/dbraw/zinc/01/75/22/1006017522.db2.gz GFCXCFOZBIPVCK-UHFFFAOYSA-N 0 2 406.533 3.502 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000531226055 1006057431 /nfs/dbraw/zinc/05/74/31/1006057431.db2.gz RSRAMVSPDYIEST-SECBINFHSA-N 0 2 416.621 3.992 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)n2ncnc2n1 ZINC000514763076 1006115740 /nfs/dbraw/zinc/11/57/40/1006115740.db2.gz BGNPWNJHIMHZMO-UHFFFAOYSA-N 0 2 415.862 3.679 20 0 HHADLN COC(=O)Cc1cccc(S(=O)(=O)Nc2nc(/C=C/c3ccccc3)cs2)c1 ZINC000514763525 1006116739 /nfs/dbraw/zinc/11/67/39/1006116739.db2.gz LEHBVWDTTBILSR-ZHACJKMWSA-N 0 2 414.508 3.830 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000531341945 1006134580 /nfs/dbraw/zinc/13/45/80/1006134580.db2.gz ZBCFGOWRWOUUKE-MRXNPFEDSA-N 0 2 402.426 3.511 20 0 HHADLN Cc1ccc(NS(=O)(=O)CCOc2ccc(F)cc2)c(-c2nc(C3CC3)no2)c1 ZINC000531345108 1006138165 /nfs/dbraw/zinc/13/81/65/1006138165.db2.gz VBERNTXEKDTVQD-UHFFFAOYSA-N 0 2 417.462 3.882 20 0 HHADLN C[C@H](Cc1ccsc1)NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000531383272 1006165254 /nfs/dbraw/zinc/16/52/54/1006165254.db2.gz PYRPOWIKJIKBEY-GFCCVEGCSA-N 0 2 422.557 3.758 20 0 HHADLN O=S(=O)(Nc1ncn(Cc2ccccc2)n1)c1cc2cc(Cl)ccc2s1 ZINC000531438089 1006196386 /nfs/dbraw/zinc/19/63/86/1006196386.db2.gz NNGDOAZLRUIEFX-UHFFFAOYSA-N 0 2 404.904 3.995 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)cnn1-c1ccc(Cl)cc1 ZINC000534206009 1006199167 /nfs/dbraw/zinc/19/91/67/1006199167.db2.gz BHNKWBGOPCFZLZ-LBPRGKRZSA-N 0 2 405.911 3.802 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cn1 ZINC000534206588 1006199926 /nfs/dbraw/zinc/19/99/26/1006199926.db2.gz ICZAXCAXHDMGSR-UHFFFAOYSA-N 0 2 420.494 3.668 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3ccc4ccccc4c3)o2)cc1OC ZINC000514909712 1006203710 /nfs/dbraw/zinc/20/37/10/1006203710.db2.gz GZELZAPINVRUHX-UHFFFAOYSA-N 0 2 411.439 3.708 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(F)cc2)s1)c1cccc(Cl)c1F ZINC000531450299 1006204795 /nfs/dbraw/zinc/20/47/95/1006204795.db2.gz TWJMKTUIMBPNLO-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN O=C(C/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000534291180 1006284778 /nfs/dbraw/zinc/28/47/78/1006284778.db2.gz ZCPCQPDTEALSIY-OWOJBTEDSA-N 0 2 418.475 3.520 20 0 HHADLN CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccnn3-c3cccc(Cl)c3)cc21 ZINC000531603566 1006300611 /nfs/dbraw/zinc/30/06/11/1006300611.db2.gz YOQZNAUYEBRQPK-UHFFFAOYSA-N 0 2 416.890 3.556 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)n(-c2ccc(C)nn2)n1 ZINC000531629402 1006316043 /nfs/dbraw/zinc/31/60/43/1006316043.db2.gz XZNWNEUCRKUGJB-UHFFFAOYSA-N 0 2 417.494 3.651 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccnc2)ns1)c1c(Cl)ccc2ccccc21 ZINC000534401978 1006377964 /nfs/dbraw/zinc/37/79/64/1006377964.db2.gz DAXNYKDPNZGURX-UHFFFAOYSA-N 0 2 402.888 3.629 20 0 HHADLN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000534440952 1006418647 /nfs/dbraw/zinc/41/86/47/1006418647.db2.gz MVCPQULHKRPDLD-UHFFFAOYSA-N 0 2 424.917 3.789 20 0 HHADLN Cc1ccc(-c2nc(S(=O)(=O)Cc3nc(-c4ccc(C(C)C)cc4)no3)n[nH]2)cc1 ZINC000515456435 1006476197 /nfs/dbraw/zinc/47/61/97/1006476197.db2.gz IQQQSEBRIOMVTG-UHFFFAOYSA-N 0 2 423.498 3.927 20 0 HHADLN Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000531931164 1006528579 /nfs/dbraw/zinc/52/85/79/1006528579.db2.gz YUKTXLKJXSLXBK-UHFFFAOYSA-N 0 2 402.479 3.948 20 0 HHADLN O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)c1cccc(Br)c1O ZINC000532033522 1006588496 /nfs/dbraw/zinc/58/84/96/1006588496.db2.gz HDGFMPAGVOAZBJ-UHFFFAOYSA-N 0 2 417.234 3.756 20 0 HHADLN Cc1ccc(F)c(-n2cc([O-])c(C(=O)N3CC[NH+]([C@@H](C)c4ccsc4)CC3)n2)c1 ZINC000538368112 1006638339 /nfs/dbraw/zinc/63/83/39/1006638339.db2.gz ZHJSEGTWTYRKGR-HNNXBMFYSA-N 0 2 414.506 3.606 20 0 HHADLN O=S(=O)(Nc1ccc2nc(C(F)F)[nH]c2c1)c1cc2c(cc1Cl)OCCO2 ZINC000534671912 1006649194 /nfs/dbraw/zinc/64/91/94/1006649194.db2.gz HZSMQNIQVCWYSQ-UHFFFAOYSA-N 0 2 415.805 3.726 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2ccc3[nH]c(-c4cccs4)nc3c2)c1C ZINC000534674962 1006653067 /nfs/dbraw/zinc/65/30/67/1006653067.db2.gz PEGWAYZCKQYVBZ-UHFFFAOYSA-N 0 2 401.517 3.925 20 0 HHADLN CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000532155315 1006678329 /nfs/dbraw/zinc/67/83/29/1006678329.db2.gz SNFQOXGUJHDRBW-PBHICJAKSA-N 0 2 407.561 3.985 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cc(F)c(I)c(F)c2)c(C)o1 ZINC000538449873 1006718778 /nfs/dbraw/zinc/71/87/78/1006718778.db2.gz PCAMCOCFGCEBQS-UHFFFAOYSA-N 0 2 413.183 3.580 20 0 HHADLN COCCc1noc(-c2cc(Cl)ccc2NS(=O)(=O)c2cc(C)oc2C)n1 ZINC000538450465 1006719202 /nfs/dbraw/zinc/71/92/02/1006719202.db2.gz IICIWLTYZXMJBM-UHFFFAOYSA-N 0 2 411.867 3.590 20 0 HHADLN COC(=O)C1(c2ccc(S(=O)(=O)Nc3ncc(-c4ccccc4)s3)cc2)CC1 ZINC000538450755 1006719562 /nfs/dbraw/zinc/71/95/62/1006719562.db2.gz RGLVPFKOOJQIBR-UHFFFAOYSA-N 0 2 414.508 3.816 20 0 HHADLN CC(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)c(F)c1 ZINC000538493919 1006761895 /nfs/dbraw/zinc/76/18/95/1006761895.db2.gz MYRDMIGHCHNDHB-UHFFFAOYSA-N 0 2 403.211 3.828 20 0 HHADLN COc1ccc2c(c1)OC[C@H]2CC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000534814646 1006821418 /nfs/dbraw/zinc/82/14/18/1006821418.db2.gz CKPBDCMRXQXSBN-LLVKDONJSA-N 0 2 401.875 3.794 20 0 HHADLN CCN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1C ZINC000532410618 1006855500 /nfs/dbraw/zinc/85/55/00/1006855500.db2.gz LTPISVZLMBAKCM-UHFFFAOYSA-N 0 2 401.513 3.919 20 0 HHADLN COc1ccc(C[C@H](C)CN(C)C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)cc1 ZINC000534938361 1006977370 /nfs/dbraw/zinc/97/73/70/1006977370.db2.gz BKFFFOUBQNCWCB-HNNXBMFYSA-N 0 2 411.477 3.985 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(COc3ccccc3)no2)cc1 ZINC000532582870 1007018613 /nfs/dbraw/zinc/01/86/13/1007018613.db2.gz RECHPVPZTJGPCU-UHFFFAOYSA-N 0 2 414.468 3.573 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccnn1C1CCCC1 ZINC000532691186 1007105461 /nfs/dbraw/zinc/10/54/61/1007105461.db2.gz RNAYRLBEIMSWJJ-UHFFFAOYSA-N 0 2 417.516 3.508 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)[C@H]3CCCCN3Cc3ccccc3)s[nH]2)c1 ZINC000516518529 1007128679 /nfs/dbraw/zinc/12/86/79/1007128679.db2.gz KQBUDVVQZNNNEP-LJQANCHMSA-N 0 2 408.527 3.629 20 0 HHADLN Cc1ccc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cc1NC(=O)NC(C)(C)C ZINC000535231002 1007284252 /nfs/dbraw/zinc/28/42/52/1007284252.db2.gz NXGDKCCUFMWVFW-UHFFFAOYSA-N 0 2 410.503 3.503 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ccn(-c2ccc(Cl)cc2Cl)n1 ZINC000539003150 1007301666 /nfs/dbraw/zinc/30/16/66/1007301666.db2.gz NOUUJTBZWNJLOS-UHFFFAOYSA-N 0 2 417.281 3.767 20 0 HHADLN CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc3c(ccc(F)c3C)s2)c1 ZINC000516993003 1007362262 /nfs/dbraw/zinc/36/22/62/1007362262.db2.gz OVJAJTSXRJSPCX-UHFFFAOYSA-N 0 2 407.492 3.637 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3ccc(OC(C)C)cc3)s2)cc1 ZINC000539109835 1007397349 /nfs/dbraw/zinc/39/73/49/1007397349.db2.gz WHSVYVVMEZWLPW-UHFFFAOYSA-N 0 2 405.501 3.802 20 0 HHADLN CCOCc1cccc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)c1 ZINC000517158521 1007469492 /nfs/dbraw/zinc/46/94/92/1007469492.db2.gz JCCDKCQQFLYHQT-UHFFFAOYSA-N 0 2 400.859 3.775 20 0 HHADLN C[C@@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000539220104 1007511496 /nfs/dbraw/zinc/51/14/96/1007511496.db2.gz GMILQUGMCAEHQS-INIZCTEOSA-N 0 2 411.531 3.546 20 0 HHADLN O=S(=O)(Nc1ccc2c[nH]nc2c1)c1cc(Br)cc2cccnc21 ZINC000517257162 1007520106 /nfs/dbraw/zinc/52/01/06/1007520106.db2.gz BHOLJBHATXDQLZ-UHFFFAOYSA-N 0 2 403.261 3.674 20 0 HHADLN COc1ccccc1S(=O)(=O)Nc1nnc(SCc2ccc(F)cc2)s1 ZINC000533200369 1007532297 /nfs/dbraw/zinc/53/22/97/1007532297.db2.gz ONLNBPXCRXZXEF-UHFFFAOYSA-N 0 2 411.505 3.779 20 0 HHADLN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1nc2ccccc2s1 ZINC000517373317 1007606773 /nfs/dbraw/zinc/60/67/73/1007606773.db2.gz MPZYAYOQLRGCRV-UHFFFAOYSA-N 0 2 416.402 3.903 20 0 HHADLN COCCOc1ccc(S(=O)(=O)Nc2cc(C)n(-c3ccc(C)cc3)n2)cc1C ZINC000539399786 1007707358 /nfs/dbraw/zinc/70/73/58/1007707358.db2.gz AQAYEOKTAFTXNZ-UHFFFAOYSA-N 0 2 415.515 3.624 20 0 HHADLN CC(C)c1ncc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)s1 ZINC000533442972 1007757612 /nfs/dbraw/zinc/75/76/12/1007757612.db2.gz STTQAYYIXAVUOE-UHFFFAOYSA-N 0 2 408.530 3.776 20 0 HHADLN COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc4cc(F)c(F)cc4s3)cc2)CC1 ZINC000539550751 1007862911 /nfs/dbraw/zinc/86/29/11/1007862911.db2.gz FKKUYQWPYICHOJ-UHFFFAOYSA-N 0 2 424.450 3.580 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(OC)c(-c4ccccn4)c3)s[nH]2)c1 ZINC000535870192 1007887108 /nfs/dbraw/zinc/88/71/08/1007887108.db2.gz HUEOMXBBHXCFEV-UHFFFAOYSA-N 0 2 418.478 3.959 20 0 HHADLN CN(C(=O)c1cccc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c1)c1ccccc1 ZINC000535939263 1007970722 /nfs/dbraw/zinc/97/07/22/1007970722.db2.gz UNPPFQUTCBXHSH-UHFFFAOYSA-N 0 2 415.478 3.551 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccnc2)ns1)c1csc2ccc(Cl)cc21 ZINC000533689631 1008014181 /nfs/dbraw/zinc/01/41/81/1008014181.db2.gz KOIVRCMOLDKUIK-UHFFFAOYSA-N 0 2 408.917 3.691 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc2cc(Br)ccc2[nH]1 ZINC000535985996 1008025132 /nfs/dbraw/zinc/02/51/32/1008025132.db2.gz UYPSFXAANSCXTJ-UHFFFAOYSA-N 0 2 400.261 3.518 20 0 HHADLN O=S(=O)(Nc1cccc(OCc2cscn2)c1)c1cc(F)c(F)cc1F ZINC000517938068 1008064266 /nfs/dbraw/zinc/06/42/66/1008064266.db2.gz YVWMTRYTZXBOHZ-UHFFFAOYSA-N 0 2 400.403 3.940 20 0 HHADLN O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)Nc1cc(Cl)cc(Cl)c1O ZINC000536095196 1008117452 /nfs/dbraw/zinc/11/74/52/1008117452.db2.gz PTCGWVSFRYIXKS-UHFFFAOYSA-N 0 2 414.310 3.990 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N(C(C)C)C2CCC2)c1 ZINC000539842144 1008133441 /nfs/dbraw/zinc/13/34/41/1008133441.db2.gz XWLUAMXEPGANKV-UHFFFAOYSA-N 0 2 418.515 3.605 20 0 HHADLN CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)Nc2cncc3ccccc32)s1 ZINC000539951369 1008202341 /nfs/dbraw/zinc/20/23/41/1008202341.db2.gz TVTPLEXIASFQKC-UHFFFAOYSA-N 0 2 417.556 3.802 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2cncc3ccccc32)cc1OC ZINC000533934460 1008216665 /nfs/dbraw/zinc/21/66/65/1008216665.db2.gz SMJRUIKPMFGGSL-UHFFFAOYSA-N 0 2 423.288 3.815 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2ccc(F)cc2C(=O)OC)c(C(F)(F)F)c1 ZINC000533951386 1008228670 /nfs/dbraw/zinc/22/86/70/1008228670.db2.gz APEBAVTVFUKPCZ-UHFFFAOYSA-N 0 2 421.368 3.831 20 0 HHADLN O=C1CCc2cc(-c3csc(NS(=O)(=O)Cc4ccc(F)cc4)n3)ccc2N1 ZINC000518259086 1008230692 /nfs/dbraw/zinc/23/06/92/1008230692.db2.gz FUEAYRZNMSMYKU-UHFFFAOYSA-N 0 2 417.487 3.776 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000540077074 1008275165 /nfs/dbraw/zinc/27/51/65/1008275165.db2.gz LGXCCADDWKHCFL-UHFFFAOYSA-N 0 2 415.492 3.937 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc2c(c1)NC(=O)CS2 ZINC000518370054 1008278978 /nfs/dbraw/zinc/27/89/78/1008278978.db2.gz AYRINONVUGUEPW-UHFFFAOYSA-N 0 2 402.888 3.577 20 0 HHADLN CC(C)Oc1ccc(S(=O)(=O)Nc2c(-c3ccccn3)nc3ccccn32)cc1 ZINC000540210975 1008337145 /nfs/dbraw/zinc/33/71/45/1008337145.db2.gz OUCKDOJCSJLEFG-UHFFFAOYSA-N 0 2 408.483 3.984 20 0 HHADLN Cn1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c(-c2ccccc2)n1 ZINC000540211851 1008337571 /nfs/dbraw/zinc/33/75/71/1008337571.db2.gz BBWMZUKZGGMGGD-UHFFFAOYSA-N 0 2 412.515 3.873 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2c3ccccc3sc2C(=O)OC)cc1OC ZINC000518807633 1008427100 /nfs/dbraw/zinc/42/71/00/1008427100.db2.gz NBBMVTRVAVJJGC-UHFFFAOYSA-N 0 2 421.496 3.896 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2cccc(NC(=O)c3ccccc3)c2C)c1 ZINC000540498312 1008456565 /nfs/dbraw/zinc/45/65/65/1008456565.db2.gz WPBJYRFTVAKYDQ-UHFFFAOYSA-N 0 2 412.467 3.762 20 0 HHADLN COc1ccc(NC(=O)c2cccc(Br)c2O)cc1N1CCCCC1=O ZINC000519311239 1008722009 /nfs/dbraw/zinc/72/20/09/1008722009.db2.gz VTCDORKHTSGUBX-UHFFFAOYSA-N 0 2 419.275 3.933 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc2[nH]ccc2s1 ZINC000519568448 1008912574 /nfs/dbraw/zinc/91/25/74/1008912574.db2.gz LCCJWTJPFPYSND-UHFFFAOYSA-N 0 2 404.498 3.739 20 0 HHADLN CCn1c(-c2c[nH]c3ccccc32)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000549364246 1008946007 /nfs/dbraw/zinc/94/60/07/1008946007.db2.gz XSRRLVMYYVKOJO-UHFFFAOYSA-N 0 2 405.487 3.793 20 0 HHADLN C[C@@H](C(F)(F)F)S(=O)(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000546093403 1009119373 /nfs/dbraw/zinc/11/93/73/1009119373.db2.gz ZTJYTNWQARKHKU-JTQLQIEISA-N 0 2 400.260 3.741 20 0 HHADLN CC(C)Cc1nnc(N(C)Cc2nc(=O)c3sccc3[nH]2)n1Cc1ccccc1 ZINC000549511730 1009120330 /nfs/dbraw/zinc/12/03/30/1009120330.db2.gz XOWQHKJXZCHODY-UHFFFAOYSA-N 0 2 408.531 3.872 20 0 HHADLN COCCOc1ccc(NC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)c(C)c1 ZINC000543615504 1009219844 /nfs/dbraw/zinc/21/98/44/1009219844.db2.gz WPIPQAOJKYHLSX-UHFFFAOYSA-N 0 2 414.487 3.613 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCc3ccc(OC)c(Cl)c3)s[nH]2)c1 ZINC000543615610 1009220896 /nfs/dbraw/zinc/22/08/96/1009220896.db2.gz HKHGRQLPWSSZOX-UHFFFAOYSA-N 0 2 404.879 3.619 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](c3ncc(C)s3)C3CC3)s[nH]2)c1 ZINC000543616935 1009223081 /nfs/dbraw/zinc/22/30/81/1009223081.db2.gz PTRSTQSNBGDXPA-AWEZNQCLSA-N 0 2 401.517 3.673 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1cc(=O)[nH]c2ccccc12 ZINC000543655199 1009261059 /nfs/dbraw/zinc/26/10/59/1009261059.db2.gz DSGNKIYBQOIITC-UHFFFAOYSA-N 0 2 411.874 3.856 20 0 HHADLN COCC[C@@H](Cc1ccco1)NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000543656012 1009262034 /nfs/dbraw/zinc/26/20/34/1009262034.db2.gz KBDRGBGIJGSVPO-AWEZNQCLSA-N 0 2 406.895 3.643 20 0 HHADLN C[C@@H]1CN(Cc2ccc(C(=O)N=c3nc(-c4ccsc4)[nH]s3)cc2)C[C@@H](C)O1 ZINC000520221647 1009349031 /nfs/dbraw/zinc/34/90/31/1009349031.db2.gz MSKCHWNITIAQTR-ZIAGYGMSSA-N 0 2 414.556 3.550 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)C1(c2cccc(Br)c2)CC1 ZINC000549732393 1009355566 /nfs/dbraw/zinc/35/55/66/1009355566.db2.gz JNIBQWPIVSRNRG-UHFFFAOYSA-N 0 2 413.275 3.919 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1 ZINC000549732780 1009356096 /nfs/dbraw/zinc/35/60/96/1009356096.db2.gz QJCRKOVCUQRSBE-LLVKDONJSA-N 0 2 417.263 3.654 20 0 HHADLN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000520291885 1009416000 /nfs/dbraw/zinc/41/60/00/1009416000.db2.gz NVMQVUJQXYELIH-INIZCTEOSA-N 0 2 414.556 3.780 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000520333396 1009467852 /nfs/dbraw/zinc/46/78/52/1009467852.db2.gz WGHIRKDWJIEMLU-UHFFFAOYSA-N 0 2 422.503 3.777 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cnn1-c1ccccc1 ZINC000543951684 1009551889 /nfs/dbraw/zinc/55/18/89/1009551889.db2.gz LMTFGFBRABKIJP-UHFFFAOYSA-N 0 2 424.526 3.855 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3nnc(-c4ccccc4Cl)s3)cc12 ZINC000546566099 1009588565 /nfs/dbraw/zinc/58/85/65/1009588565.db2.gz WTAFRGJDVLFIIM-UHFFFAOYSA-N 0 2 421.891 3.758 20 0 HHADLN CCn1c(=O)oc2cc(S(=O)(=O)Nc3ncc(-c4ccccc4F)s3)ccc21 ZINC000549991507 1009592209 /nfs/dbraw/zinc/59/22/09/1009592209.db2.gz XRZXKRGSRZWQLI-UHFFFAOYSA-N 0 2 419.459 3.678 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccccc2F)s1)c1cnn(Cc2ccccc2)c1 ZINC000549998961 1009596915 /nfs/dbraw/zinc/59/69/15/1009596915.db2.gz YVEZKDGYIFRIEO-UHFFFAOYSA-N 0 2 414.487 3.995 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)n(-c2ccccc2F)n1 ZINC000544078392 1009683125 /nfs/dbraw/zinc/68/31/25/1009683125.db2.gz GCTLJVWFWDLQEZ-UHFFFAOYSA-N 0 2 411.405 3.765 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1ccnc(OCc2ccccc2)c1 ZINC000550105487 1009704698 /nfs/dbraw/zinc/70/46/98/1009704698.db2.gz JDLWQUCVHJXTAK-UHFFFAOYSA-N 0 2 401.426 3.712 20 0 HHADLN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)c(C)c1 ZINC000544095542 1009705051 /nfs/dbraw/zinc/70/50/51/1009705051.db2.gz UOMJTWYKAVBFDT-HNNXBMFYSA-N 0 2 420.579 3.793 20 0 HHADLN CCOc1ccccc1Oc1ccc(CNS(=O)(=O)[C@H](C)C(F)(F)F)cn1 ZINC000546799966 1009765688 /nfs/dbraw/zinc/76/56/88/1009765688.db2.gz ZCVGUKCRVQOIRW-GFCCVEGCSA-N 0 2 404.410 3.643 20 0 HHADLN O=S(=O)(Cc1ccccc1NS(=O)(=O)c1ccccc1F)c1ccccc1 ZINC000520798318 1009867740 /nfs/dbraw/zinc/86/77/40/1009867740.db2.gz RXONAHDLQSXYIK-UHFFFAOYSA-N 0 2 405.472 3.600 20 0 HHADLN O=c1[nH]nc([C@H]2CCCN(c3nc(-c4cccc(Cl)c4)nc4c3CCCC4)C2)[nH]1 ZINC000550337623 1009873037 /nfs/dbraw/zinc/87/30/37/1009873037.db2.gz KZEGVPSMFHXXJH-AWEZNQCLSA-N 0 2 410.909 3.884 20 0 HHADLN COC(=O)c1csc(S(=O)(=O)Nc2nc3c(cccc3C(F)(F)F)s2)c1 ZINC000550420618 1009923324 /nfs/dbraw/zinc/92/33/24/1009923324.db2.gz YXHOSMIRJSTSGC-UHFFFAOYSA-N 0 2 422.431 3.964 20 0 HHADLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ncc(Cc3ccccc3F)s2)c1 ZINC000550440839 1009941311 /nfs/dbraw/zinc/94/13/11/1009941311.db2.gz HDVVDRCVXNQSIG-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1cc(OC)ccc1OCC ZINC000520968055 1010012244 /nfs/dbraw/zinc/01/22/44/1010012244.db2.gz QKNRJWNKFWOBBT-UHFFFAOYSA-N 0 2 420.531 3.767 20 0 HHADLN O=C(C1=NN(c2ccccc2)CC1=O)N(CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000550640811 1010077761 /nfs/dbraw/zinc/07/77/61/1010077761.db2.gz DAINSJBOQWFIPV-UHFFFAOYSA-N 0 2 420.296 3.910 20 0 HHADLN COc1ccc(NS(=O)(=O)c2c[nH]nc2C)cc1OCc1ccc2ccccc2n1 ZINC000521143684 1010170491 /nfs/dbraw/zinc/17/04/91/1010170491.db2.gz OPPBFEWUFLQFOF-UHFFFAOYSA-N 0 2 424.482 3.655 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](C)c3cccc(-n4cccn4)c3)s[nH]2)c1 ZINC000544590209 1010216612 /nfs/dbraw/zinc/21/66/12/1010216612.db2.gz AYGMNDPPXJQIDR-CQSZACIVSA-N 0 2 420.498 3.704 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCCc3cccc4cccnc43)s[nH]2)c1 ZINC000544591366 1010217109 /nfs/dbraw/zinc/21/71/09/1010217109.db2.gz XXDBKISYLZIYAY-UHFFFAOYSA-N 0 2 405.483 3.548 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCc3cc(-c4ccccc4)no3)s[nH]2)c1 ZINC000544594985 1010220593 /nfs/dbraw/zinc/22/05/93/1010220593.db2.gz SRTNOSPIGYUTPG-UHFFFAOYSA-N 0 2 407.455 3.612 20 0 HHADLN C[C@@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccc([S@@](C)=O)cc1 ZINC000544634951 1010258223 /nfs/dbraw/zinc/25/82/23/1010258223.db2.gz CWXWPLYCZDJXIX-DQQVXTMASA-N 0 2 420.947 3.901 20 0 HHADLN C[C@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)[C@H]1COc2ccccc21 ZINC000544636886 1010261293 /nfs/dbraw/zinc/26/12/93/1010261293.db2.gz ZDYNUZVHZFQVNG-XHDPSFHLSA-N 0 2 400.891 3.967 20 0 HHADLN C[C@@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)[C@@H]1COc2ccccc21 ZINC000544636883 1010261617 /nfs/dbraw/zinc/26/16/17/1010261617.db2.gz ZDYNUZVHZFQVNG-ABAIWWIYSA-N 0 2 400.891 3.967 20 0 HHADLN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N(C)c2ccc(-c3ccccc3)cc2)c1 ZINC000547353795 1010266763 /nfs/dbraw/zinc/26/67/63/1010266763.db2.gz XYTPDSNKGSGMIW-UHFFFAOYSA-N 0 2 410.495 3.586 20 0 HHADLN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2-c2cccc(F)c2)cc1 ZINC000547433810 1010303698 /nfs/dbraw/zinc/30/36/98/1010303698.db2.gz BRYMIATVUFHWLE-UHFFFAOYSA-N 0 2 416.478 3.797 20 0 HHADLN CCOC(=O)c1cnc(C)c(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000551021071 1010321999 /nfs/dbraw/zinc/32/19/99/1010321999.db2.gz VRRGQJNOVDGHKX-UHFFFAOYSA-N 0 2 407.250 3.813 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1C(F)(F)F ZINC000551025382 1010322858 /nfs/dbraw/zinc/32/28/58/1010322858.db2.gz AVOXVSBGHCMIIP-UHFFFAOYSA-N 0 2 416.402 3.903 20 0 HHADLN Cc1ccc(C(=O)Nc2cccc(CNS(=O)(=O)[C@@H](C)C(F)(F)F)c2)cc1 ZINC000544746546 1010350751 /nfs/dbraw/zinc/35/07/51/1010350751.db2.gz RBNCBMVVNZOKSN-ZDUSSCGKSA-N 0 2 400.422 3.618 20 0 HHADLN COc1cc([C@@H](C)NS(=O)(=O)[C@@H](C)C(F)(F)F)ccc1OCc1ccncc1 ZINC000544748968 1010352427 /nfs/dbraw/zinc/35/24/27/1010352427.db2.gz CMYXPAFOWRPJAC-OLZOCXBDSA-N 0 2 418.437 3.600 20 0 HHADLN COc1c(NS(=O)(=O)c2cccc(C)c2Cl)cc(Cl)cc1C(=O)N(C)C ZINC000551083938 1010354523 /nfs/dbraw/zinc/35/45/23/1010354523.db2.gz HTBVCSHAHRTHIV-UHFFFAOYSA-N 0 2 417.314 3.813 20 0 HHADLN Cc1ccnc2c1cccc2S(=O)(=O)Nc1ccccc1NC(=O)N1CCCC1 ZINC000547631571 1010371762 /nfs/dbraw/zinc/37/17/62/1010371762.db2.gz FRUUQVHMHWDQEI-UHFFFAOYSA-N 0 2 410.499 3.972 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2cc(C)c(C)s2)ccc1Br ZINC000547703026 1010396405 /nfs/dbraw/zinc/39/64/05/1010396405.db2.gz WKXLZYUUHGTZIL-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN O=C(CCn1cc(Br)ccc1=O)Nc1cc(Cl)cc(Cl)c1O ZINC000544813471 1010407073 /nfs/dbraw/zinc/40/70/73/1010407073.db2.gz VWBJSSSMKQFCIS-UHFFFAOYSA-N 0 2 406.063 3.652 20 0 HHADLN COCn1nc(C)c(S(=O)(=O)Nc2ccc(-c3cccc(F)c3)c(F)c2)c1C ZINC000551385423 1010552924 /nfs/dbraw/zinc/55/29/24/1010552924.db2.gz LGDVAYQXKNOULY-UHFFFAOYSA-N 0 2 407.442 3.850 20 0 HHADLN O=S(=O)(Nc1c(-c2cccnc2)nc2ccccn21)c1cc(Cl)ccc1F ZINC000551386694 1010554288 /nfs/dbraw/zinc/55/42/88/1010554288.db2.gz UJBSKJNYGJZFSD-UHFFFAOYSA-N 0 2 402.838 3.990 20 0 HHADLN COCn1nc(C)c(S(=O)(=O)Nc2ncc(Cc3ccc(C)c(C)c3)s2)c1C ZINC000551386447 1010554669 /nfs/dbraw/zinc/55/46/69/1010554669.db2.gz OKZLSROCQSBQTK-UHFFFAOYSA-N 0 2 420.560 3.569 20 0 HHADLN O=C1Cc2cc(S(=O)(=O)Nc3ccc(Cl)cc3OC(F)F)c(Cl)cc2N1 ZINC000545124907 1010631073 /nfs/dbraw/zinc/63/10/73/1010631073.db2.gz UBCCSFDJYWWFDU-UHFFFAOYSA-N 0 2 423.224 3.890 20 0 HHADLN CC[C@](C)(NS(=O)(=O)c1cc(F)c(Br)cc1OC)C(F)(F)F ZINC000548474154 1010638578 /nfs/dbraw/zinc/63/85/78/1010638578.db2.gz CGXFUEMFENOMRU-NSHDSACASA-N 0 2 408.211 3.606 20 0 HHADLN COc1ccc([C@@H](Cc2ccc(F)cc2)NS(=O)(=O)[C@H](C)C(F)(F)F)cc1 ZINC000545385135 1010766992 /nfs/dbraw/zinc/76/69/92/1010766992.db2.gz WRCQBOUHAHNQHH-SJKOYZFVSA-N 0 2 405.413 3.988 20 0 HHADLN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000522034348 1010768129 /nfs/dbraw/zinc/76/81/29/1010768129.db2.gz QHUARQUZEIGAHG-SECBINFHSA-N 0 2 401.319 3.704 20 0 HHADLN COc1ccncc1NC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000522220181 1010873030 /nfs/dbraw/zinc/87/30/30/1010873030.db2.gz WKVAARIGMMHTMN-UHFFFAOYSA-N 0 2 403.485 3.513 20 0 HHADLN CCOc1ccc(C2(CNC(=O)N=c3nc(C(C)(C)C)[nH]s3)CCOCC2)cc1 ZINC000522620402 1011118088 /nfs/dbraw/zinc/11/80/88/1011118088.db2.gz CNVORDSMEBXUEA-UHFFFAOYSA-N 0 2 418.563 3.526 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)s1 ZINC000522738444 1011186237 /nfs/dbraw/zinc/18/62/37/1011186237.db2.gz ALJBUDNFSHVYGH-UHFFFAOYSA-N 0 2 416.528 3.828 20 0 HHADLN O=S(=O)(Nc1cnn(CC(F)(F)F)c1)c1ccc(OC(F)F)c(Cl)c1 ZINC000522809176 1011242286 /nfs/dbraw/zinc/24/22/86/1011242286.db2.gz ZLENYDYVPOHUOV-UHFFFAOYSA-N 0 2 405.732 3.501 20 0 HHADLN CC(C)c1cnc(NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)s1 ZINC000536138523 1011263162 /nfs/dbraw/zinc/26/31/62/1011263162.db2.gz VUOOVWCPSIUEPK-UHFFFAOYSA-N 0 2 415.606 3.834 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000540695336 1011347742 /nfs/dbraw/zinc/34/77/42/1011347742.db2.gz KVRLXYRALFFRDJ-UHFFFAOYSA-N 0 2 415.452 3.539 20 0 HHADLN COCCOc1ccc(S(=O)(=O)Nc2cc(C)n(-c3ccccc3Cl)n2)cc1 ZINC000540698611 1011350421 /nfs/dbraw/zinc/35/04/21/1011350421.db2.gz VNJWRDFITBSUEM-UHFFFAOYSA-N 0 2 421.906 3.660 20 0 HHADLN CC(C)(O)COc1ccc(NS(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000522956975 1011403460 /nfs/dbraw/zinc/40/34/60/1011403460.db2.gz QBVLSEZSLJWFCQ-UHFFFAOYSA-N 0 2 418.284 3.539 20 0 HHADLN O=C(Nc1cccc(Cl)c1SCC(F)F)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000522956957 1011403560 /nfs/dbraw/zinc/40/35/60/1011403560.db2.gz PTYZOUDVBSFFSS-UHFFFAOYSA-N 0 2 412.805 3.699 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)cc1OC ZINC000536304150 1011495532 /nfs/dbraw/zinc/49/55/32/1011495532.db2.gz UASMGBGUBMVXRD-UHFFFAOYSA-N 0 2 421.494 3.828 20 0 HHADLN COc1ccc(COCCCC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)cc1 ZINC000536323480 1011520631 /nfs/dbraw/zinc/52/06/31/1011520631.db2.gz GLLHTTDYGQOTLG-UHFFFAOYSA-N 0 2 413.499 3.580 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC(CCc4ccc(O)cc4)CC3)=N2)cc1 ZINC000540927863 1011590798 /nfs/dbraw/zinc/59/07/98/1011590798.db2.gz JTBAAKIGNDSOOY-UHFFFAOYSA-N 0 2 421.497 3.777 20 0 HHADLN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC ZINC000536392175 1011600350 /nfs/dbraw/zinc/60/03/50/1011600350.db2.gz ZHUVBHUQWRRQPH-UHFFFAOYSA-N 0 2 424.906 3.815 20 0 HHADLN CCc1ccc2nc(NS(=O)(=O)c3ccc4c(c3)C[C@@H](C)N4C(C)=O)sc2c1 ZINC000536460313 1011679422 /nfs/dbraw/zinc/67/94/22/1011679422.db2.gz VEIRZFRFPFINQH-GFCCVEGCSA-N 0 2 415.540 3.957 20 0 HHADLN CCc1ccc2nc(NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)sc2c1 ZINC000536460550 1011680583 /nfs/dbraw/zinc/68/05/83/1011680583.db2.gz WWXVTBNVBCBJPW-UHFFFAOYSA-N 0 2 401.513 3.552 20 0 HHADLN O=C(CCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000536556787 1011727888 /nfs/dbraw/zinc/72/78/88/1011727888.db2.gz GJQCUONQQCMREK-UHFFFAOYSA-N 0 2 422.919 3.564 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2O[C@H](C)c2ccccc2)cn1 ZINC000536700703 1011870046 /nfs/dbraw/zinc/87/00/46/1011870046.db2.gz VHLQUHVUHPDTQO-OAHLLOKOSA-N 0 2 412.467 3.809 20 0 HHADLN O=C(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1)c1cccc2c1OCCO2 ZINC000536738172 1011920455 /nfs/dbraw/zinc/92/04/55/1011920455.db2.gz JUZICZVSQIUJHJ-UHFFFAOYSA-N 0 2 422.437 3.987 20 0 HHADLN COc1ccccc1OCc1ccc(C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)o1 ZINC000551948247 1012030921 /nfs/dbraw/zinc/03/09/21/1012030921.db2.gz AJVMLOUWLLPXJY-UHFFFAOYSA-N 0 2 420.425 3.919 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)CC1CCSCC1 ZINC000552002798 1012042792 /nfs/dbraw/zinc/04/27/92/1012042792.db2.gz LRJSTVIFLYVVDF-LJQANCHMSA-N 0 2 401.576 3.759 20 0 HHADLN CC(C)(C)[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000541469941 1012235460 /nfs/dbraw/zinc/23/54/60/1012235460.db2.gz NKRQWTGWZGWKNO-CYBMUJFWSA-N 0 2 408.549 3.844 20 0 HHADLN C[C@@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552257012 1012266640 /nfs/dbraw/zinc/26/66/40/1012266640.db2.gz YSHPPEVRMOWEAI-CQSZACIVSA-N 0 2 415.453 3.974 20 0 HHADLN O=C(CCc1cc(Br)ccc1F)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552279846 1012293184 /nfs/dbraw/zinc/29/31/84/1012293184.db2.gz IQBMCXNGNXIGEH-UHFFFAOYSA-N 0 2 405.227 3.650 20 0 HHADLN CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)n1 ZINC000552286099 1012297562 /nfs/dbraw/zinc/29/75/62/1012297562.db2.gz HQYRJXBIBKMDCZ-UHFFFAOYSA-N 0 2 404.430 3.777 20 0 HHADLN Cc1ccccc1-n1c(SCc2n[nH]c(=O)[nH]2)nnc1-c1c[nH]c2ccccc12 ZINC000537047352 1012368228 /nfs/dbraw/zinc/36/82/28/1012368228.db2.gz GPATVYJKXPFWPI-UHFFFAOYSA-N 0 2 403.471 3.840 20 0 HHADLN O=c1[nH]nc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)[nH]1 ZINC000537047364 1012369550 /nfs/dbraw/zinc/36/95/50/1012369550.db2.gz HEXVJFQECMKQLG-UHFFFAOYSA-N 0 2 402.842 3.843 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccc2c(c1)CCC=C2 ZINC000552399739 1012412390 /nfs/dbraw/zinc/41/23/90/1012412390.db2.gz SIDATBTXQAHYTG-UHFFFAOYSA-N 0 2 412.496 3.551 20 0 HHADLN Cc1nc(NCc2cccc(C(=O)N=c3nc(Cc4ccccc4)[n-]s3)c2)cc[nH+]1 ZINC000541663023 1012491951 /nfs/dbraw/zinc/49/19/51/1012491951.db2.gz NLXGSWIDFSICLR-UHFFFAOYSA-N 0 2 416.510 3.514 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCc3cccc(OC(C)(C)C)n3)s[nH]2)c1 ZINC000541757880 1012618170 /nfs/dbraw/zinc/61/81/70/1012618170.db2.gz HZWRPCVXCCNSMF-UHFFFAOYSA-N 0 2 413.503 3.530 20 0 HHADLN Cc1cccc2sc(NS(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CCC4)nc21 ZINC000541783853 1012654359 /nfs/dbraw/zinc/65/43/59/1012654359.db2.gz QVYHSQHMRBSBBA-UHFFFAOYSA-N 0 2 413.524 3.631 20 0 HHADLN CC(=O)Nc1ccccc1CNC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000541797899 1012674846 /nfs/dbraw/zinc/67/48/46/1012674846.db2.gz SXVCLHKBUZWSAO-UHFFFAOYSA-N 0 2 401.879 3.561 20 0 HHADLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(Br)sc1Cl ZINC000541807353 1012691018 /nfs/dbraw/zinc/69/10/18/1012691018.db2.gz HCVMVJRXMULFGL-UHFFFAOYSA-N 0 2 406.661 3.934 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cccc(N4CCC(C)CC4)c3)cnc2c1Cl ZINC000537261895 1012711896 /nfs/dbraw/zinc/71/18/96/1012711896.db2.gz DSRWLKIACVEUJK-UHFFFAOYSA-N 0 2 419.938 3.728 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)c1 ZINC000523982286 1012730989 /nfs/dbraw/zinc/73/09/89/1012730989.db2.gz HJMBHCXUVUQLDD-UHFFFAOYSA-N 0 2 403.460 3.678 20 0 HHADLN COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc4cc(Cl)ccc4s3)cc2)CC1 ZINC000537347191 1012812023 /nfs/dbraw/zinc/81/20/23/1012812023.db2.gz JUWGWCSLJRYNAH-UHFFFAOYSA-N 0 2 422.915 3.955 20 0 HHADLN CCCc1cnc(NS(=O)(=O)c2cc(Br)c(OC)cc2OC)s1 ZINC000537351483 1012817612 /nfs/dbraw/zinc/81/76/12/1012817612.db2.gz JBXKLEIRXUOTBD-UHFFFAOYSA-N 0 2 421.338 3.676 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc3nc(-c4ccccn4)oc3c2)c1 ZINC000537393432 1012876285 /nfs/dbraw/zinc/87/62/85/1012876285.db2.gz CNDFIOBNQFSLKG-UHFFFAOYSA-N 0 2 411.439 3.708 20 0 HHADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2cnn(-c3cc(C)ccc3C)c2C)c1 ZINC000542013802 1012899151 /nfs/dbraw/zinc/89/91/51/1012899151.db2.gz QPWVMHTWENUVDW-UHFFFAOYSA-N 0 2 417.462 3.524 20 0 HHADLN O=S(=O)(c1ccccc1-c1ccno1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000542049655 1012958354 /nfs/dbraw/zinc/95/83/54/1012958354.db2.gz NGLGANPAWHOPGH-KRWDZBQOSA-N 0 2 421.482 3.653 20 0 HHADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(C(C)=O)c(Cl)c1 ZINC000542093916 1013021802 /nfs/dbraw/zinc/02/18/02/1013021802.db2.gz MOQJEYJENWNNSV-UHFFFAOYSA-N 0 2 402.255 3.783 20 0 HHADLN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc2nc(C)oc2c1 ZINC000553046505 1013021750 /nfs/dbraw/zinc/02/17/50/1013021750.db2.gz SSRLEYWLOUITJP-UHFFFAOYSA-N 0 2 414.361 3.742 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)s2)c(C)c1F ZINC000542102945 1013035189 /nfs/dbraw/zinc/03/51/89/1013035189.db2.gz UZYUGGCHHGAJHC-UHFFFAOYSA-N 0 2 411.455 3.525 20 0 HHADLN O=S(=O)(NCCOc1ccc(Cl)c(Cl)c1)c1onc(C2CC2)c1Cl ZINC001212006181 1071892391 /nfs/dbraw/zinc/89/23/91/1071892391.db2.gz CGRHZQCDMNEJPM-UHFFFAOYSA-N 0 2 411.694 3.870 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)c(OC)c1 ZINC000488220333 1072134790 /nfs/dbraw/zinc/13/47/90/1072134790.db2.gz KDGPUDDOAFLOOO-UHFFFAOYSA-N 0 2 404.444 3.532 20 0 HHADLN CCOc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000488230697 1072141402 /nfs/dbraw/zinc/14/14/02/1072141402.db2.gz LLIYZCDJLHYWSH-AWEZNQCLSA-N 0 2 411.907 3.955 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)c(OC)c1 ZINC000488248631 1072163504 /nfs/dbraw/zinc/16/35/04/1072163504.db2.gz XMFAZIJQLJOIQA-UHFFFAOYSA-N 0 2 404.444 3.532 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)NCCc1ccc(F)cc1 ZINC000571478849 1072632871 /nfs/dbraw/zinc/63/28/71/1072632871.db2.gz LLIOOWIGYGWKRV-OAQYLSRUSA-N 0 2 424.520 3.791 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)[C@H]1CC12CCOCC2 ZINC000571632386 1072686485 /nfs/dbraw/zinc/68/64/85/1072686485.db2.gz STPJPPIMQZHXIS-MRXNPFEDSA-N 0 2 418.490 3.690 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)cc1OC ZINC000479136728 1072748762 /nfs/dbraw/zinc/74/87/62/1072748762.db2.gz WBCZXJKGCSATBV-UHFFFAOYSA-N 0 2 402.856 3.907 20 0 HHADLN CCC[C@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)OC)cs3)c2C1 ZINC000479139368 1072750556 /nfs/dbraw/zinc/75/05/56/1072750556.db2.gz ALZVTVKMPYOUAA-ZDUSSCGKSA-N 0 2 408.545 3.840 20 0 HHADLN CCC[C@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cc(C(=O)OC)cs3)c2C1 ZINC000479139368 1072750558 /nfs/dbraw/zinc/75/05/58/1072750558.db2.gz ALZVTVKMPYOUAA-ZDUSSCGKSA-N 0 2 408.545 3.840 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1OCC(F)F ZINC000588631282 1073070140 /nfs/dbraw/zinc/07/01/40/1073070140.db2.gz AMEBPPKYKJFXOB-UHFFFAOYSA-N 0 2 407.442 3.685 20 0 HHADLN O=S(=O)(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1cccc(F)c1F ZINC000588832617 1073295471 /nfs/dbraw/zinc/29/54/71/1073295471.db2.gz LKHSYXNIKLJFTI-UHFFFAOYSA-N 0 2 405.304 3.834 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2OCC(F)F)cc1 ZINC000588855576 1073308775 /nfs/dbraw/zinc/30/87/75/1073308775.db2.gz PKHPJKMPDQZRKZ-UHFFFAOYSA-N 0 2 405.806 3.571 20 0 HHADLN CCOC(=O)C(C)(C)c1csc(NS(=O)(=O)c2cc(Cl)ccc2C)n1 ZINC000588948947 1073355499 /nfs/dbraw/zinc/35/54/99/1073355499.db2.gz OKWRNOHQBSBSJH-UHFFFAOYSA-N 0 2 402.925 3.746 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)[C@@H]1CCCOC1 ZINC000589942750 1073428510 /nfs/dbraw/zinc/42/85/10/1073428510.db2.gz KSWQIOSCVMWBIN-GFCCVEGCSA-N 0 2 412.870 3.645 20 0 HHADLN O=S(=O)(Nc1cnn(Cc2ccccn2)c1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000589148911 1073463820 /nfs/dbraw/zinc/46/38/20/1073463820.db2.gz GYAJWQDMZWDRKY-UHFFFAOYSA-N 0 2 402.479 3.698 20 0 HHADLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ncc(-c3ccccc3F)s2)c1 ZINC000555458722 1073520170 /nfs/dbraw/zinc/52/01/70/1073520170.db2.gz NFWLBBGGEAOLDT-UHFFFAOYSA-N 0 2 422.459 3.545 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1cc(NC(=O)C(C)C)ccc1Cl ZINC000555537408 1073600959 /nfs/dbraw/zinc/60/09/59/1073600959.db2.gz FLEGJPUZPFDPND-UHFFFAOYSA-N 0 2 413.865 3.986 20 0 HHADLN COCCOCc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000590695056 1073981173 /nfs/dbraw/zinc/98/11/73/1073981173.db2.gz NNQAMTCBVGBVLN-UHFFFAOYSA-N 0 2 407.385 3.808 20 0 HHADLN O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000590949185 1074048823 /nfs/dbraw/zinc/04/88/23/1074048823.db2.gz DWHOZRIUDYCVSP-GOTSBHOMSA-N 0 2 415.493 3.882 20 0 HHADLN CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)o1 ZINC000556039650 1074059546 /nfs/dbraw/zinc/05/95/46/1074059546.db2.gz RBVUJOSTDNSNKR-UHFFFAOYSA-N 0 2 418.450 3.559 20 0 HHADLN Cc1c(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)nnn1CC1CCCC1 ZINC000573193421 1074250229 /nfs/dbraw/zinc/25/02/29/1074250229.db2.gz OQYVFDKEZNITQB-UHFFFAOYSA-N 0 2 402.911 3.623 20 0 HHADLN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)Nc1cccc2cccnc21 ZINC000573160638 1074254230 /nfs/dbraw/zinc/25/42/30/1074254230.db2.gz PXIXYKVYRYULEQ-UHFFFAOYSA-N 0 2 405.863 3.656 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)cc1OC ZINC000591678657 1074460872 /nfs/dbraw/zinc/46/08/72/1074460872.db2.gz GDFIGISCHKWVDG-UHFFFAOYSA-N 0 2 416.858 3.646 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)CCc1ccc(F)cc1 ZINC000574497069 1075285574 /nfs/dbraw/zinc/28/55/74/1075285574.db2.gz PBBZOORHUJONRS-NRFANRHFSA-N 0 2 409.505 3.998 20 0 HHADLN CC(=O)N[C@H](CC(=O)N=c1nc(-c2ccsc2)[nH]s1)c1ccc(Cl)cc1 ZINC000596900443 1075594467 /nfs/dbraw/zinc/59/44/67/1075594467.db2.gz MIXBPLTVADEKGL-CQSZACIVSA-N 0 2 406.920 3.548 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cc1 ZINC000602094444 1075698841 /nfs/dbraw/zinc/69/88/41/1075698841.db2.gz YAQCLPZLQCLANQ-UHFFFAOYSA-N 0 2 424.450 3.600 20 0 HHADLN C[C@](NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1)(C(=O)[O-])C1CC1 ZINC000780548307 939132654 /nfs/dbraw/zinc/13/26/54/939132654.db2.gz XJKKXMPEMBPTJI-XMMPIXPASA-N 0 2 418.497 3.651 20 0 HHADLN O=C1NC(=O)/C(=C/c2cc(Br)c(O)c(Br)c2)c2ccccc21 ZINC000302839219 971345093 /nfs/dbraw/zinc/34/50/93/971345093.db2.gz VQASYDGETJJNBK-VZUCSPMQSA-N 0 2 423.060 3.728 20 0 HHADLN COc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)C(=O)NCC3)oc1ccccc12 ZINC000303624250 971907555 /nfs/dbraw/zinc/90/75/55/971907555.db2.gz DOWGGCPAJWBFDK-UHFFFAOYSA-N 0 2 422.462 3.681 20 0 HHADLN Cc1cc(C)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c1 ZINC000003320042 960482787 /nfs/dbraw/zinc/48/27/87/960482787.db2.gz RKTRYNLQTNQEJT-UHFFFAOYSA-N 0 2 410.499 3.763 20 0 HHADLN COc1ccccc1COC1CCN(C(=O)N=c2nc(-c3ccccc3)[nH]s2)CC1 ZINC000537683584 1013245030 /nfs/dbraw/zinc/24/50/30/1013245030.db2.gz DFIXLOAXCSFKTD-UHFFFAOYSA-N 0 2 424.526 3.849 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(Cl)ccc1F ZINC000015579607 962800636 /nfs/dbraw/zinc/80/06/36/962800636.db2.gz GBYXRABAGGSGTO-UHFFFAOYSA-N 0 2 411.867 3.989 20 0 HHADLN O=C(CCc1nc2ccccc2s1)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000015683971 962836233 /nfs/dbraw/zinc/83/62/33/962836233.db2.gz LTICYJXRHBIXLP-UHFFFAOYSA-N 0 2 421.478 3.862 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2[nH]c1=S ZINC000017447548 963202580 /nfs/dbraw/zinc/20/25/80/963202580.db2.gz FPXJSVNYSGRUQW-UHFFFAOYSA-N 0 2 416.506 3.943 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NCCc3ccc(C(F)(F)F)cc3)cc2[nH]c1=S ZINC000017919026 963241826 /nfs/dbraw/zinc/24/18/26/963241826.db2.gz YZYSHYVEAYDSOR-UHFFFAOYSA-N 0 2 421.444 3.696 20 0 HHADLN O=C(CC1S/C(=N\CCc2ccccc2)NC1=O)Nc1ccccc1C(F)(F)F ZINC000021883751 963554054 /nfs/dbraw/zinc/55/40/54/963554054.db2.gz BNAXSHFBZULZGY-INIZCTEOSA-N 0 2 421.444 3.864 20 0 HHADLN COc1cccc(NS(=O)(=O)c2cc(Cl)cc(Br)c2OC)c1 ZINC000024222487 963964545 /nfs/dbraw/zinc/96/45/45/963964545.db2.gz QMYRETYMGVVTQL-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN Cc1csc([C@@H](C#N)C(=O)CCNC(=O)Nc2ccc(Br)cc2)n1 ZINC000048788743 964061723 /nfs/dbraw/zinc/06/17/23/964061723.db2.gz ZDQOJCLAJMAROS-ZDUSSCGKSA-N 0 2 407.293 3.602 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)C1CCOCC1 ZINC000025130696 964188231 /nfs/dbraw/zinc/18/82/31/964188231.db2.gz QRTYJVIJENFTSZ-UHFFFAOYSA-N 0 2 412.870 3.645 20 0 HHADLN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OCC(F)(F)F)c1 ZINC000026541037 964594870 /nfs/dbraw/zinc/59/48/70/964594870.db2.gz NIDNNBRXBLNJHR-UHFFFAOYSA-N 0 2 423.796 3.869 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1c[nH]c2ncccc12)c1ccco1 ZINC000057117677 965288234 /nfs/dbraw/zinc/28/82/34/965288234.db2.gz OKMSNNWEUJNLKE-UHFFFAOYSA-N 0 2 416.846 3.862 20 0 HHADLN O=C(NCCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000057121065 965292159 /nfs/dbraw/zinc/29/21/59/965292159.db2.gz AMKBWVSNOLDSGU-UHFFFAOYSA-N 0 2 416.449 3.738 20 0 HHADLN O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000057123998 965297415 /nfs/dbraw/zinc/29/74/15/965297415.db2.gz BSKZVDYPPLKKRZ-UHFFFAOYSA-N 0 2 402.422 3.696 20 0 HHADLN COCCOc1ccccc1NS(=O)(=O)c1ccc(C)cc1Br ZINC000057126015 965300899 /nfs/dbraw/zinc/30/08/99/965300899.db2.gz NLCVILDYKPKHMS-UHFFFAOYSA-N 0 2 400.294 3.584 20 0 HHADLN C[C@@H](NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(F)cc1F ZINC000054068017 965374052 /nfs/dbraw/zinc/37/40/52/965374052.db2.gz RUBCFQGPCCIEDA-CYBMUJFWSA-N 0 2 415.396 3.842 20 0 HHADLN Cc1ccc(SCC(=O)NNC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 ZINC000029653914 965447603 /nfs/dbraw/zinc/44/76/03/965447603.db2.gz QNCRESSPXRHILO-UHFFFAOYSA-N 0 2 414.458 3.859 20 0 HHADLN COc1ccc(-c2nc(SCc3csc([N+](=O)[O-])c3)[nH]c(=O)c2C#N)cc1 ZINC000054452286 965524574 /nfs/dbraw/zinc/52/45/74/965524574.db2.gz KNEACZJRMAKRJD-UHFFFAOYSA-N 0 2 400.441 3.991 20 0 HHADLN O=S(=O)(Nc1nc2c(cc(F)c(F)c2F)s1)c1cccc2nsnc21 ZINC000057733962 965534119 /nfs/dbraw/zinc/53/41/19/965534119.db2.gz INOPUTCPBSORJH-UHFFFAOYSA-N 0 2 402.404 3.519 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](C[C@H]3CCOC3)c3ccccc3)s[nH]2)c1 ZINC000542684702 1013605021 /nfs/dbraw/zinc/60/50/21/1013605021.db2.gz ALDNEIFDACOCBA-BEFAXECRSA-N 0 2 424.526 3.925 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)s[nH]2)c1 ZINC000542684704 1013605130 /nfs/dbraw/zinc/60/51/30/1013605130.db2.gz ALDNEIFDACOCBA-HNAYVOBHSA-N 0 2 424.526 3.925 20 0 HHADLN CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1cccc2cc(C)cnc21 ZINC000058723235 965862940 /nfs/dbraw/zinc/86/29/40/965862940.db2.gz MAHPBXQRHCUHJC-UHFFFAOYSA-N 0 2 413.499 3.953 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(Cc3ccccc3)C[C@H]3CCCO3)s[nH]2)c1 ZINC000542689102 1013608961 /nfs/dbraw/zinc/60/89/61/1013608961.db2.gz YVWIJPSGNQXHRK-LJQANCHMSA-N 0 2 424.526 3.849 20 0 HHADLN O=c1nc(CN2CCCN(CC(F)F)CC2)[nH]c2cc(-c3ccc(F)cc3)sc21 ZINC000538038571 1013610001 /nfs/dbraw/zinc/61/00/01/1013610001.db2.gz RQNBAOGOERDVJJ-UHFFFAOYSA-N 0 2 422.476 3.564 20 0 HHADLN O=S(=O)(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc(Br)s1 ZINC000055631644 965975465 /nfs/dbraw/zinc/97/54/65/965975465.db2.gz IMDAWRRUXWHRSV-CYBMUJFWSA-N 0 2 418.334 3.869 20 0 HHADLN C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NNC(=O)c1cc(-c2ccccc2)on1 ZINC000059006693 965991737 /nfs/dbraw/zinc/99/17/37/965991737.db2.gz HCOAXJXEHUCYHZ-NSHDSACASA-N 0 2 420.252 3.877 20 0 HHADLN C[C@H]1C[C@H](c2ccccc2)CCN1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000542701021 1013617442 /nfs/dbraw/zinc/61/74/42/1013617442.db2.gz XZPIHMKRWIXLSO-PKOBYXMFSA-N 0 2 405.502 3.861 20 0 HHADLN CCN(CC)C(=O)Cn1ccc2cc(NS(=O)(=O)c3ccc(F)cc3F)ccc21 ZINC000060318345 966088189 /nfs/dbraw/zinc/08/81/89/966088189.db2.gz FPBONZJYOWLVJM-UHFFFAOYSA-N 0 2 421.469 3.589 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)c2)c(F)c1 ZINC000032081616 966190203 /nfs/dbraw/zinc/19/02/03/966190203.db2.gz RKODHVZDMXWUIN-UHFFFAOYSA-N 0 2 401.257 3.656 20 0 HHADLN CC(=O)Nc1ccccc1CNC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000542727102 1013639171 /nfs/dbraw/zinc/63/91/71/1013639171.db2.gz DVICKWJPNANCSH-UHFFFAOYSA-N 0 2 401.879 3.561 20 0 HHADLN Cc1cc(C(=O)NNC(=O)c2ccc(COc3ccc(F)cc3)o2)c2ccccc2n1 ZINC000060636347 966238976 /nfs/dbraw/zinc/23/89/76/966238976.db2.gz PEUGLCYXRKSZIU-UHFFFAOYSA-N 0 2 419.412 3.929 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N[C@@H](CCCO)c1ccccc1 ZINC000542726001 1013637721 /nfs/dbraw/zinc/63/77/21/1013637721.db2.gz HIGITRBFODOVEJ-INIZCTEOSA-N 0 2 402.907 3.916 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccsc3)cc2)nc(C)n1 ZINC000060739893 966272161 /nfs/dbraw/zinc/27/21/61/966272161.db2.gz QDRCVJKGNPTYQL-FPYGCLRLSA-N 0 2 414.512 3.608 20 0 HHADLN C[S@](=O)C[C@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccccc1 ZINC000542726511 1013638337 /nfs/dbraw/zinc/63/83/37/1013638337.db2.gz BWJNBIJMBAAOLG-QZXCRCNTSA-N 0 2 420.947 3.522 20 0 HHADLN CC(C)c1nc2c(n1C)CCN(C(=O)N=c1nc(-c3ccccc3Cl)[nH]s1)C2 ZINC000542726838 1013639416 /nfs/dbraw/zinc/63/94/16/1013639416.db2.gz DYVQFDHNOYARHJ-UHFFFAOYSA-N 0 2 416.938 3.728 20 0 HHADLN CS(=O)(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c1 ZINC000060773906 966283781 /nfs/dbraw/zinc/28/37/81/966283781.db2.gz JRQOQZWDBDIACJ-UHFFFAOYSA-N 0 2 421.471 3.822 20 0 HHADLN O=S(=O)(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1cc(F)ccc1F ZINC000032601716 966292369 /nfs/dbraw/zinc/29/23/69/966292369.db2.gz QZZIOINXIWLOQN-UHFFFAOYSA-N 0 2 403.332 3.970 20 0 HHADLN CC(=O)Nc1ccc(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc1 ZINC000542727963 1013640170 /nfs/dbraw/zinc/64/01/70/1013640170.db2.gz WGRBPFUPUDHGNT-UHFFFAOYSA-N 0 2 401.879 3.561 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc([C@H](C#N)c2ccccc2)cc1 ZINC000032631440 966298102 /nfs/dbraw/zinc/29/81/02/966298102.db2.gz KTFKOTVMTWKMOB-QGZVFWFLSA-N 0 2 412.492 3.991 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCc1ccc(N2CCCC2)nc1 ZINC000542729948 1013642638 /nfs/dbraw/zinc/64/26/38/1013642638.db2.gz PSJWHNXRBKJLPK-UHFFFAOYSA-N 0 2 414.922 3.597 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1ccc2c(c1)OCCCO2 ZINC000542730059 1013642665 /nfs/dbraw/zinc/64/26/65/1013642665.db2.gz UVGSIVAKMWFWGN-UHFFFAOYSA-N 0 2 416.890 3.763 20 0 HHADLN Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1 ZINC000040994630 966518810 /nfs/dbraw/zinc/51/88/10/966518810.db2.gz DSZXHOOQFSJPOY-UHFFFAOYSA-N 0 2 424.526 3.774 20 0 HHADLN Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1oc2c(c1C)C(=O)CCC2 ZINC000041688786 966612828 /nfs/dbraw/zinc/61/28/28/966612828.db2.gz XKIRRGWUBXWKOO-UHFFFAOYSA-N 0 2 409.467 3.614 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2cc(F)c(Br)c(F)c2)c1 ZINC000538094297 1013665554 /nfs/dbraw/zinc/66/55/54/1013665554.db2.gz UMTLQIGLBIIOOB-UHFFFAOYSA-N 0 2 408.220 3.545 20 0 HHADLN CCCOc1ccc(S(=O)(=O)Nc2[nH]nc(C)c2-c2ccc3c(c2)OCO3)cc1 ZINC000542760673 1013666590 /nfs/dbraw/zinc/66/65/90/1013666590.db2.gz DSLSQTKFJPKDAM-UHFFFAOYSA-N 0 2 415.471 3.703 20 0 HHADLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000042665850 966824982 /nfs/dbraw/zinc/82/49/82/966824982.db2.gz JUCIHHNDQJQUAD-UHFFFAOYSA-N 0 2 403.481 3.683 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(Cl)c2cccnc12 ZINC000042676913 966827266 /nfs/dbraw/zinc/82/72/66/966827266.db2.gz VBTAVYJVOWGWRA-UHFFFAOYSA-N 0 2 405.863 3.656 20 0 HHADLN CC(C)Cc1nc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cs1 ZINC000063569105 966891079 /nfs/dbraw/zinc/89/10/79/966891079.db2.gz SVFKMYGRRXHYLD-UHFFFAOYSA-N 0 2 409.511 3.849 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@H]2C)ccc1Cl ZINC000043114347 966909047 /nfs/dbraw/zinc/90/90/47/966909047.db2.gz KTKSRGUCGZPZFI-OCCSQVGLSA-N 0 2 408.907 3.535 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1NS(C)(=O)=O ZINC000064373978 967158670 /nfs/dbraw/zinc/15/86/70/967158670.db2.gz NASZXDJHQSKCFX-UHFFFAOYSA-N 0 2 415.345 3.536 20 0 HHADLN C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(-c3ccccc3F)o2)C1=O ZINC000045579641 967501921 /nfs/dbraw/zinc/50/19/21/967501921.db2.gz NEVSVMWFWJIUSP-HSZRJFAPSA-N 0 2 421.428 3.674 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)NC[C@@H](C)c3ccccc3)cc2[nH]c1=S ZINC000045898801 967589305 /nfs/dbraw/zinc/58/93/05/967589305.db2.gz YJJSBJOFIZEASN-OAHLLOKOSA-N 0 2 411.527 3.629 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000538198539 1013754188 /nfs/dbraw/zinc/75/41/88/1013754188.db2.gz HXNXVMPAMLJSTI-CVEARBPZSA-N 0 2 400.891 3.932 20 0 HHADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)c1 ZINC000542940568 1013773357 /nfs/dbraw/zinc/77/33/57/1013773357.db2.gz AGLFHAMKZCDNDY-UHFFFAOYSA-N 0 2 411.499 3.662 20 0 HHADLN CC(C)OCCOCc1cccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c1 ZINC000065832786 968669508 /nfs/dbraw/zinc/66/95/08/968669508.db2.gz ZBMJYEBLTJLGPQ-UHFFFAOYSA-N 0 2 415.515 3.615 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)N(C)c3cc(C)cc(C)c3)cc2[nH]c1=S ZINC000065861206 968685816 /nfs/dbraw/zinc/68/58/16/968685816.db2.gz BGOJZMFRQHLPRV-UHFFFAOYSA-N 0 2 411.527 3.615 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N(C)Cc3ccc(Cl)s3)cc2[nH]c1=S ZINC000069577183 968839255 /nfs/dbraw/zinc/83/92/55/968839255.db2.gz FRFWYXXSJBMRJC-UHFFFAOYSA-N 0 2 405.932 3.858 20 0 HHADLN CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1cccc(Cl)c1F ZINC000071975648 968918981 /nfs/dbraw/zinc/91/89/81/968918981.db2.gz FCVIEFSHXSGIKD-UHFFFAOYSA-N 0 2 400.859 3.888 20 0 HHADLN O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2c(O)cc(F)cc2F)CC1 ZINC000072046012 968956563 /nfs/dbraw/zinc/95/65/63/968956563.db2.gz SVXNKPDWZQLDKW-UHFFFAOYSA-N 0 2 415.223 3.575 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C3CC3)C3CC3)ccc2F)cc1 ZINC000097043010 969084065 /nfs/dbraw/zinc/08/40/65/969084065.db2.gz GLULDTSDGCZDQU-UHFFFAOYSA-N 0 2 418.490 3.554 20 0 HHADLN COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1cccc2[nH]ccc21 ZINC000110402003 969662856 /nfs/dbraw/zinc/66/28/56/969662856.db2.gz LGBRUOOWOIIBGI-UHFFFAOYSA-N 0 2 409.261 3.518 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N(C)CCOc3ccc(Cl)cc3)cc2[nH]c1=S ZINC000137599548 969979701 /nfs/dbraw/zinc/97/97/01/969979701.db2.gz UYGVTIQFYVGUNP-UHFFFAOYSA-N 0 2 417.918 3.883 20 0 HHADLN O=C(N[C@H]1C[C@@H]1c1ccccc1)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000138936872 970015431 /nfs/dbraw/zinc/01/54/31/970015431.db2.gz BXGYCVLOHHTHTP-QUCCMNQESA-N 0 2 417.490 3.986 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)O[C@H](C)c3cccc(NC(C)=O)c3)cc2[nH]c1=S ZINC000139064442 970020272 /nfs/dbraw/zinc/02/02/72/970020272.db2.gz RJVWITPWOAOLDK-GFCCVEGCSA-N 0 2 411.483 3.955 20 0 HHADLN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)Nc1cccc(Cl)c1OC ZINC000554682352 1014011098 /nfs/dbraw/zinc/01/10/98/1014011098.db2.gz YCHHVDWGHMWPIY-UHFFFAOYSA-N 0 2 419.286 3.770 20 0 HHADLN CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ncsc2C(C)C)cc1 ZINC000554689454 1014014346 /nfs/dbraw/zinc/01/43/46/1014014346.db2.gz KHEAPZNQDQMENE-UHFFFAOYSA-N 0 2 417.578 3.609 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NC[C@@H]3CCCO[C@@H]3c3ccccc3)cc2[nH]c1=S ZINC000261378307 970634717 /nfs/dbraw/zinc/63/47/17/970634717.db2.gz HIQZJAPTOJPTJD-FXAWDEMLSA-N 0 2 423.538 3.603 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)cn1 ZINC000261407807 970657826 /nfs/dbraw/zinc/65/78/26/970657826.db2.gz MRDZVYMAYHOJDN-UHFFFAOYSA-N 0 2 418.906 3.634 20 0 HHADLN O=C1CCCN1c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1F ZINC000261423679 970669852 /nfs/dbraw/zinc/66/98/52/970669852.db2.gz AUZZZBMPBIHTEQ-UHFFFAOYSA-N 0 2 420.359 3.911 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCN(c4ccccc4F)CC3)=N2)cc1 ZINC000303954294 972537311 /nfs/dbraw/zinc/53/73/11/972537311.db2.gz ZXLKUSLLCYDGGZ-UHFFFAOYSA-N 0 2 408.477 3.803 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2cccc(I)c2C)c1F ZINC000313205788 972633796 /nfs/dbraw/zinc/63/37/96/972633796.db2.gz DZANGDYIWWZMLC-UHFFFAOYSA-N 0 2 405.232 3.848 20 0 HHADLN COC(=O)c1cc(F)ccc1NS(=O)(=O)c1cc(Br)sc1C ZINC000316658603 972650488 /nfs/dbraw/zinc/65/04/88/972650488.db2.gz XXVQIBXKCYHEQN-UHFFFAOYSA-N 0 2 408.270 3.546 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cccc(Br)c1C ZINC000317686882 972657724 /nfs/dbraw/zinc/65/77/24/972657724.db2.gz BBNFLVFDXZODTN-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1[C@H](C)O ZINC000320239243 972677866 /nfs/dbraw/zinc/67/78/66/972677866.db2.gz AMWSMZCJUATPAC-NSHDSACASA-N 0 2 400.294 3.702 20 0 HHADLN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1[C@@H](C)O ZINC000320239242 972678148 /nfs/dbraw/zinc/67/81/48/972678148.db2.gz AMWSMZCJUATPAC-LLVKDONJSA-N 0 2 400.294 3.702 20 0 HHADLN CCC(=O)Nc1ccc(NS(=O)(=O)c2cc(Br)cnc2Cl)cc1 ZINC000320824903 972685135 /nfs/dbraw/zinc/68/51/35/972685135.db2.gz PWIFETOGEGXISY-UHFFFAOYSA-N 0 2 418.700 3.647 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2nc(C)c(Cc3cccc(F)c3)s2)c1 ZINC000409518714 972974212 /nfs/dbraw/zinc/97/42/12/972974212.db2.gz MBRYPFGKQVWIRQ-UHFFFAOYSA-N 0 2 422.503 3.999 20 0 HHADLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3cc(OC)c(OC)cc3F)sc2C1 ZINC000409531761 972987198 /nfs/dbraw/zinc/98/71/98/972987198.db2.gz AILCHAWBSIDGGB-SNVBAGLBSA-N 0 2 400.497 3.615 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(C)c(Cc3ccccc3F)s2)cc1 ZINC000409535036 972991049 /nfs/dbraw/zinc/99/10/49/972991049.db2.gz KBIMIIZCAZSTDX-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN Cc1noc(C)c1CCC(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000409542227 972998535 /nfs/dbraw/zinc/99/85/35/972998535.db2.gz FNGHWCVSFXVLIV-UHFFFAOYSA-N 0 2 408.231 3.549 20 0 HHADLN Cc1ccccc1S(=O)(=O)Nc1ccnn1Cc1ccccc1Br ZINC000409585582 973035693 /nfs/dbraw/zinc/03/56/93/973035693.db2.gz NYJCROLZVWXVHI-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN Cc1cnn(Cc2cc(F)ccc2F)c1NS(=O)(=O)c1cccc2cnccc21 ZINC000409644199 973093747 /nfs/dbraw/zinc/09/37/47/973093747.db2.gz INROTCDYZYIMEH-UHFFFAOYSA-N 0 2 414.437 3.867 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3cc(F)ccc3C)s2)c1 ZINC000409665814 973123627 /nfs/dbraw/zinc/12/36/27/973123627.db2.gz LTFZQCUKTVQOKS-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN COc1cccc(C2(F)CCN(C(=O)C3=NN(c4ccc(F)cc4)CC3=O)CC2)c1 ZINC000410238135 973741815 /nfs/dbraw/zinc/74/18/15/973741815.db2.gz IARJCOHKIOLWJL-UHFFFAOYSA-N 0 2 413.424 3.827 20 0 HHADLN CN(c1ccccc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1)C1CCCC1 ZINC000410320777 973867894 /nfs/dbraw/zinc/86/78/94/973867894.db2.gz HCHHMKUFQGJPBD-UHFFFAOYSA-N 0 2 402.442 3.625 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2N(C)C2CCCC2)c(OC)c1 ZINC000410326456 973884031 /nfs/dbraw/zinc/88/40/31/973884031.db2.gz FAXWONIQWGUMTQ-UHFFFAOYSA-N 0 2 418.515 3.661 20 0 HHADLN CCOc1cccc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)c1 ZINC000410328959 973894917 /nfs/dbraw/zinc/89/49/17/973894917.db2.gz POAHXKARVWCXON-UHFFFAOYSA-N 0 2 409.870 3.923 20 0 HHADLN CC1(C)Cc2cc(S(=O)(=O)Nc3cc4ccc(Br)cn4n3)ccc2O1 ZINC000410330834 973904381 /nfs/dbraw/zinc/90/43/81/973904381.db2.gz QPUMAMWTAWUZRI-UHFFFAOYSA-N 0 2 422.304 3.611 20 0 HHADLN CCCNC(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1 ZINC000410371149 973966347 /nfs/dbraw/zinc/96/63/47/973966347.db2.gz FGQJTLLTGUCKRW-UHFFFAOYSA-N 0 2 415.284 3.529 20 0 HHADLN COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(Cl)cc1Br ZINC000410375268 973973625 /nfs/dbraw/zinc/97/36/25/973973625.db2.gz WXKZPEISEIOUCH-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN Cc1noc2ncc(NS(=O)(=O)c3ccc(Cl)cc3Br)cc12 ZINC000410383995 973982549 /nfs/dbraw/zinc/98/25/49/973982549.db2.gz RGVWXMLVKZBDMC-UHFFFAOYSA-N 0 2 402.657 3.748 20 0 HHADLN CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000426014274 974132843 /nfs/dbraw/zinc/13/28/43/974132843.db2.gz QKUDYCXLNZUYQW-UHFFFAOYSA-N 0 2 417.314 3.895 20 0 HHADLN Cc1ccc([C@H]2C[C@@H](C)N(C(=O)NCc3nnc(COc4ccccc4)[nH]3)C2)cc1 ZINC000426236697 974333137 /nfs/dbraw/zinc/33/31/37/974333137.db2.gz IDJFAHZSQXAAAN-MJGOQNOKSA-N 0 2 405.502 3.780 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)cn1 ZINC000426654549 974585092 /nfs/dbraw/zinc/58/50/92/974585092.db2.gz MHMIIMJDHBMYLQ-UHFFFAOYSA-N 0 2 421.501 3.654 20 0 HHADLN Cn1c(C[NH2+][C@H](CSCc2cccc3cccnc32)C(=O)[O-])nc2ccccc21 ZINC000426727266 974618670 /nfs/dbraw/zinc/61/86/70/974618670.db2.gz NYXVRQYUJBSSPN-GOSISDBHSA-N 0 2 406.511 3.598 20 0 HHADLN O=C([O-])C[C@H]([NH2+]Cc1csc(-c2ccccn2)n1)c1cnn(-c2ccccc2)c1 ZINC000426762053 974640407 /nfs/dbraw/zinc/64/04/07/974640407.db2.gz GWIZBVGSLZRKFB-IBGZPJMESA-N 0 2 405.483 3.696 20 0 HHADLN CC(C)(C)OC(=O)C[C@@H]([NH2+]Cc1ccc(-c2nc3ccccc3s2)o1)C(=O)[O-] ZINC000426802764 974672229 /nfs/dbraw/zinc/67/22/29/974672229.db2.gz XNRWQQWSAPBXRP-CQSZACIVSA-N 0 2 402.472 3.831 20 0 HHADLN CC(=O)Nc1cc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)ccc1F ZINC000427111616 974913010 /nfs/dbraw/zinc/91/30/10/974913010.db2.gz TVAAMWBLZHCEMM-UHFFFAOYSA-N 0 2 410.320 3.623 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(-c3cccc(C)c3)nn2Cc2ccccc2)cnn1C ZINC000427204772 974976905 /nfs/dbraw/zinc/97/69/05/974976905.db2.gz LRQIZIRMSACGSQ-UHFFFAOYSA-N 0 2 421.526 3.750 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cnn1C ZINC000427314742 975046298 /nfs/dbraw/zinc/04/62/98/975046298.db2.gz LEFVMKCMAHXELO-UHFFFAOYSA-N 0 2 422.869 3.574 20 0 HHADLN COC(=O)C1(CS(=O)(=O)Nc2nn([C@@H](C)c3ccccc3)cc2C)CCCCC1 ZINC000427351810 975072168 /nfs/dbraw/zinc/07/21/68/975072168.db2.gz HWEUBGZWSFKWJK-KRWDZBQOSA-N 0 2 419.547 3.666 20 0 HHADLN COc1cccc(-c2cc(NS(=O)(=O)c3ccc4nc(C)sc4c3)n(C)n2)c1 ZINC000427774095 975280918 /nfs/dbraw/zinc/28/09/18/975280918.db2.gz OWSCSIQFAQTTOO-UHFFFAOYSA-N 0 2 414.512 3.815 20 0 HHADLN CN(C)c1nc2ccc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3F)cc2o1 ZINC000427783095 975285491 /nfs/dbraw/zinc/28/54/91/975285491.db2.gz PIUAMHQFMCDGIX-UHFFFAOYSA-N 0 2 419.356 3.732 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nnc(C3CCCCC3)o2)c1 ZINC000427784445 975286724 /nfs/dbraw/zinc/28/67/24/975286724.db2.gz OAWISTWTRHMHMY-UHFFFAOYSA-N 0 2 413.883 3.748 20 0 HHADLN Cc1nc2ccc(S(=O)(=O)Nc3nc(CN4CCCCC4)cs3)cc2s1 ZINC000427792654 975292009 /nfs/dbraw/zinc/29/20/09/975292009.db2.gz KVFOAVXKYPSAQA-UHFFFAOYSA-N 0 2 408.574 3.848 20 0 HHADLN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)C1 ZINC000428200331 975525479 /nfs/dbraw/zinc/52/54/79/975525479.db2.gz PRUSTZCFWLDDCP-KHKBPRLJSA-N 0 2 403.548 3.511 20 0 HHADLN CC(C)C1(C)CCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 ZINC000428425914 975741066 /nfs/dbraw/zinc/74/10/66/975741066.db2.gz VZFYONYYUIYAJV-UHFFFAOYSA-N 0 2 407.561 3.842 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cc(Br)c(F)cc1F ZINC000428732510 976015916 /nfs/dbraw/zinc/01/59/16/976015916.db2.gz ULLUTJKQWMTZTK-UHFFFAOYSA-N 0 2 402.245 3.982 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NC2(c3ccc(F)cc3)CCOCC2)=N1 ZINC000428828667 976109867 /nfs/dbraw/zinc/10/98/67/976109867.db2.gz XCHIXBHEYIHJRI-UHFFFAOYSA-N 0 2 413.424 3.600 20 0 HHADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccccc3OC(F)(F)F)o2)cc1F ZINC000430043474 977293191 /nfs/dbraw/zinc/29/31/91/977293191.db2.gz DWDHWHPYMDLMBP-UHFFFAOYSA-N 0 2 417.340 3.884 20 0 HHADLN O=S(=O)(Nc1noc(-c2ccccc2Cl)n1)c1cnn(-c2ccccc2F)c1 ZINC000430070906 977307503 /nfs/dbraw/zinc/30/75/03/977307503.db2.gz KZVWAEBRDYRXFU-UHFFFAOYSA-N 0 2 419.825 3.516 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2noc(-c3ccccc3Cl)n2)c1 ZINC000430072743 977308115 /nfs/dbraw/zinc/30/81/15/977308115.db2.gz SZSNFACWCNXOCQ-UHFFFAOYSA-N 0 2 400.243 3.853 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)s1 ZINC000430386776 977516910 /nfs/dbraw/zinc/51/69/10/977516910.db2.gz LPTHZWSGRFSRJI-UHFFFAOYSA-N 0 2 400.953 3.597 20 0 HHADLN C[C@@H](NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)C(=O)OC(C)(C)C ZINC000430549882 977627316 /nfs/dbraw/zinc/62/73/16/977627316.db2.gz YDYOUDGQXFDQKL-CQSZACIVSA-N 0 2 408.454 3.780 20 0 HHADLN CCC1(CO)CCN(C(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)CC1 ZINC000430588607 977646399 /nfs/dbraw/zinc/64/63/99/977646399.db2.gz FIIADKTXVSDTDQ-UHFFFAOYSA-N 0 2 406.482 3.945 20 0 HHADLN Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)s1 ZINC000431150084 978052012 /nfs/dbraw/zinc/05/20/12/978052012.db2.gz FFMSVFJHUMRKPH-UHFFFAOYSA-N 0 2 409.924 3.672 20 0 HHADLN Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)C(C)(C)C)CCO3)s1 ZINC000431170914 978071355 /nfs/dbraw/zinc/07/13/55/978071355.db2.gz QOTMMUMZBTZWAA-UHFFFAOYSA-N 0 2 408.545 3.937 20 0 HHADLN Cc1cc(C)c(S(=O)(=O)Nc2cccc(C[S@](=O)C3CCOCC3)c2)s1 ZINC000431173361 978073256 /nfs/dbraw/zinc/07/32/56/978073256.db2.gz QOPUSTZLLMZYPM-VWLOTQADSA-N 0 2 413.586 3.593 20 0 HHADLN CCCS(=O)(=O)Nc1cccc(NS(=O)(=O)c2sc(C)cc2C)c1C ZINC000431184566 978082557 /nfs/dbraw/zinc/08/25/57/978082557.db2.gz UIOAWHUSLIVCEI-UHFFFAOYSA-N 0 2 402.563 3.626 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2c(Br)cc(F)cc2Br)cn1 ZINC000431312995 978197499 /nfs/dbraw/zinc/19/74/99/978197499.db2.gz NMMMYACLBBIHLV-UHFFFAOYSA-N 0 2 424.089 3.855 20 0 HHADLN CCOC(=O)c1cccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)c1 ZINC000431329333 978215034 /nfs/dbraw/zinc/21/50/34/978215034.db2.gz QTQYGMTUWSNAMW-UHFFFAOYSA-N 0 2 417.512 3.799 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N(CC1CC1)CC1CCC1 ZINC000432213094 978716359 /nfs/dbraw/zinc/71/63/59/978716359.db2.gz MPUVCULHVIHZFT-UHFFFAOYSA-N 0 2 420.560 3.988 20 0 HHADLN COc1ccccc1S(=O)(=O)Nc1nnc([C@H]2CCCc3ccccc32)s1 ZINC000432531032 978867917 /nfs/dbraw/zinc/86/79/17/978867917.db2.gz MTFXYECZKPFNPB-HNNXBMFYSA-N 0 2 401.513 3.816 20 0 HHADLN O=C(Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1cc(-c2ccccn2)no1 ZINC000432573856 978895610 /nfs/dbraw/zinc/89/56/10/978895610.db2.gz NLOXRLUHMSNQHU-OAHLLOKOSA-N 0 2 403.467 4.309 20 0 HHADLN CN1C(=O)Cc2cc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)ccc21 ZINC000432642050 978922270 /nfs/dbraw/zinc/92/22/70/978922270.db2.gz GWAYUTCNJXMRTB-UHFFFAOYSA-N 0 2 405.690 3.967 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2ccnn2Cc2ccccc2F)cc1Cl ZINC000432948376 979019460 /nfs/dbraw/zinc/01/94/60/979019460.db2.gz HTEJGBJNIOQPHP-UHFFFAOYSA-N 0 2 409.870 3.842 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3cc(Cl)c(OC)cc3C)o2)cc1 ZINC000432954238 979022113 /nfs/dbraw/zinc/02/21/13/979022113.db2.gz MGKQKEZKCDPNSY-UHFFFAOYSA-N 0 2 409.851 3.516 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)o2)cc1Cl ZINC000432956377 979023431 /nfs/dbraw/zinc/02/34/31/979023431.db2.gz ZQPBHVNFVPKQHR-UHFFFAOYSA-N 0 2 411.842 3.571 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)cc1Cl ZINC000432959318 979024568 /nfs/dbraw/zinc/02/45/68/979024568.db2.gz JUISMXLCOJCWFL-UHFFFAOYSA-N 0 2 413.833 3.828 20 0 HHADLN CC(C)[C@@H]1N(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC1(C)C ZINC000433000046 979037475 /nfs/dbraw/zinc/03/74/75/979037475.db2.gz DDHYFTAOBJOUPS-HNNXBMFYSA-N 0 2 408.549 3.842 20 0 HHADLN CC(C)[C@@H]1N(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC12CCC2 ZINC000433001700 979038404 /nfs/dbraw/zinc/03/84/04/979038404.db2.gz IZPSBSWRRWKBDL-INIZCTEOSA-N 0 2 420.560 3.986 20 0 HHADLN O=C(Nc1cccc(Oc2ncc(Br)cn2)c1)c1ccc2[nH]nnc2c1 ZINC000433265477 979200709 /nfs/dbraw/zinc/20/07/09/979200709.db2.gz KPEOLJDJJLKXMX-UHFFFAOYSA-N 0 2 411.219 3.555 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)n(C2CCOCC2)n1 ZINC000433402400 979278739 /nfs/dbraw/zinc/27/87/39/979278739.db2.gz IWBSVCVIMGBUDF-UHFFFAOYSA-N 0 2 403.426 3.671 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(OCC(C)(C)O)cc2)sc1Br ZINC000433515862 979350890 /nfs/dbraw/zinc/35/08/90/979350890.db2.gz DNJMJLLXXGBQHB-UHFFFAOYSA-N 0 2 420.350 3.770 20 0 HHADLN O=c1[nH]c2cc(NS(=O)(=O)c3cc(Br)sc3Cl)ccc2o1 ZINC000433594083 979411272 /nfs/dbraw/zinc/41/12/72/979411272.db2.gz BTIAMPNGAUDXNS-UHFFFAOYSA-N 0 2 409.670 3.812 20 0 HHADLN CCNC(=O)c1ccc(NS(=O)(=O)c2cc(Br)sc2Cl)cc1 ZINC000433600903 979416730 /nfs/dbraw/zinc/41/67/30/979416730.db2.gz UMPMNAKZVMRESJ-UHFFFAOYSA-N 0 2 423.741 3.715 20 0 HHADLN CCCCS(=O)(=O)c1ccc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1 ZINC000433978989 979730192 /nfs/dbraw/zinc/73/01/92/979730192.db2.gz NRIDDMSEBMKMSB-UHFFFAOYSA-N 0 2 407.542 3.515 20 0 HHADLN COc1cc(C)cc(C)c1S(=O)(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000434751240 980378890 /nfs/dbraw/zinc/37/88/90/980378890.db2.gz CWEHEGXUBGLYIS-QGZVFWFLSA-N 0 2 412.515 3.623 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(-c3cc(Cl)ccc3OC)[nH]n2)cc1C ZINC000434976251 980543655 /nfs/dbraw/zinc/54/36/55/980543655.db2.gz KIAHPTVRABMSNQ-UHFFFAOYSA-N 0 2 407.879 3.857 20 0 HHADLN COc1cc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)[nH+]c2n3CCCCC2)cc1OC ZINC000435194598 980712479 /nfs/dbraw/zinc/71/24/79/980712479.db2.gz ACTGHPXXVFRQIG-UHFFFAOYSA-N 0 2 419.478 3.720 20 0 HHADLN CN(C)C(=O)Nc1ccc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c(Cl)c1 ZINC000435468083 980881264 /nfs/dbraw/zinc/88/12/64/980881264.db2.gz AWHNAOZGLLXVMW-UHFFFAOYSA-N 0 2 402.817 3.610 20 0 HHADLN CO[C@@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435490535 980899821 /nfs/dbraw/zinc/89/98/21/980899821.db2.gz PLKKGFJYRHRFFG-VIFPVBQESA-N 0 2 421.277 3.907 20 0 HHADLN CC(C)(CC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C(F)(F)F ZINC000435756856 981018061 /nfs/dbraw/zinc/01/80/61/981018061.db2.gz VRKHCHVWHPFCSM-UHFFFAOYSA-N 0 2 407.439 3.861 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N(CCc1ccccn1)Cc1ccncc1 ZINC000435770198 981023455 /nfs/dbraw/zinc/02/34/55/981023455.db2.gz CTTLHIULUQOIAH-UHFFFAOYSA-N 0 2 416.510 3.694 20 0 HHADLN CCNC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000436005350 981148038 /nfs/dbraw/zinc/14/80/38/981148038.db2.gz HDILCJODKFIFJZ-UHFFFAOYSA-N 0 2 405.373 3.787 20 0 HHADLN CCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000436018420 981158360 /nfs/dbraw/zinc/15/83/60/981158360.db2.gz DNOUMGGJQKOAFN-UHFFFAOYSA-N 0 2 404.385 3.785 20 0 HHADLN O=C1CCCN1Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1 ZINC000436024352 981163626 /nfs/dbraw/zinc/16/36/26/981163626.db2.gz RQKYVLLTNMAVNB-UHFFFAOYSA-N 0 2 416.396 3.768 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(F)c(Br)cc2OC)ccc1F ZINC000436174897 981235328 /nfs/dbraw/zinc/23/53/28/981235328.db2.gz KONKLFCUTTYVCE-UHFFFAOYSA-N 0 2 408.220 3.545 20 0 HHADLN CC(=O)NCCc1ccc(-c2csc(NC(=O)c3cc(F)c(O)c(F)c3)n2)cc1 ZINC000436524208 981416717 /nfs/dbraw/zinc/41/67/17/981416717.db2.gz ZHDSCZDVNODEIA-UHFFFAOYSA-N 0 2 417.437 3.725 20 0 HHADLN COC(=O)c1ccc(NC(=O)c2cc(F)c(O)c(F)c2)c(OCC(F)(F)F)c1 ZINC000436534704 981425961 /nfs/dbraw/zinc/42/59/61/981425961.db2.gz PEIYENCEDPNZPY-UHFFFAOYSA-N 0 2 405.275 3.650 20 0 HHADLN Cc1noc(C)c1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000436536708 981427531 /nfs/dbraw/zinc/42/75/31/981427531.db2.gz BWWOUTOWZXYODK-UHFFFAOYSA-N 0 2 421.862 3.704 20 0 HHADLN CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436566317 981448671 /nfs/dbraw/zinc/44/86/71/981448671.db2.gz PJXIIBPJDFSWTQ-IAGOWNOFSA-N 0 2 417.889 3.895 20 0 HHADLN O=C(NC[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1)Nc1cccc(F)c1 ZINC000436636269 981486289 /nfs/dbraw/zinc/48/62/89/981486289.db2.gz USDZVIQVOJUABY-GFCCVEGCSA-N 0 2 423.847 3.998 20 0 HHADLN COc1ccc(CN(C)C(=O)c2cc(Cl)cc(Br)c2O)cc1O ZINC000436640278 981489132 /nfs/dbraw/zinc/48/91/32/981489132.db2.gz ONSHJGRLHXHLMO-UHFFFAOYSA-N 0 2 400.656 3.795 20 0 HHADLN COC(=O)[C@]12CN(C(=O)c3cc(Cl)cc(Br)c3O)C[C@H]1CCCC2 ZINC000436647356 981491277 /nfs/dbraw/zinc/49/12/77/981491277.db2.gz JBMDCGGCQDJNHA-BMLIUANNSA-N 0 2 416.699 3.614 20 0 HHADLN O=C(NCCC1CCS(=O)(=O)CC1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436685554 981511550 /nfs/dbraw/zinc/51/15/50/981511550.db2.gz BSHMIFIZHQCJJF-UHFFFAOYSA-N 0 2 407.919 3.657 20 0 HHADLN O=C(CCCc1ccccc1)N[C@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1 ZINC000436710376 981524154 /nfs/dbraw/zinc/52/41/54/981524154.db2.gz SRVDRISRESBKLQ-KRWDZBQOSA-N 0 2 418.896 3.928 20 0 HHADLN O=C(NCc1nnc(-c2ccc(Br)cc2)[nH]1)c1ccc(O)c(Cl)c1 ZINC000436730882 981536126 /nfs/dbraw/zinc/53/61/26/981536126.db2.gz NGBHLQOQTSIGSA-UHFFFAOYSA-N 0 2 407.655 3.523 20 0 HHADLN O=C(Nc1cccc(O)c1)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000436757458 981548205 /nfs/dbraw/zinc/54/82/05/981548205.db2.gz VUWBIYFXDUQTMZ-UHFFFAOYSA-N 0 2 418.858 3.804 20 0 HHADLN CC[C@@H](C)Oc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)c1 ZINC000436760840 981550482 /nfs/dbraw/zinc/55/04/82/981550482.db2.gz FUIZWFIKWJVKIW-OAHLLOKOSA-N 0 2 418.515 3.606 20 0 HHADLN Cc1cc([C@@H]2CN(C(=O)c3cc(F)cc(Br)c3O)CCO2)ccc1F ZINC000436850322 981590004 /nfs/dbraw/zinc/59/00/04/981590004.db2.gz HJSWWBWOVFHSTF-INIZCTEOSA-N 0 2 412.230 3.955 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(O)c(-c2nc(CC3CC3)no2)c1 ZINC000436891088 981603088 /nfs/dbraw/zinc/60/30/88/981603088.db2.gz HJIINSVYPMKRLJ-UHFFFAOYSA-N 0 2 405.863 3.849 20 0 HHADLN O=S(=O)(Nc1ccccc1Cl)c1ccc(O)c(-c2nc(CC3CC3)no2)c1 ZINC000436895675 981604447 /nfs/dbraw/zinc/60/44/47/981604447.db2.gz JWMLWIWFNKHXAF-UHFFFAOYSA-N 0 2 405.863 3.849 20 0 HHADLN Cc1ccc(NC(=O)CN(C)C(=O)c2cc(Cl)cc(Br)c2O)cc1 ZINC000436917945 981623064 /nfs/dbraw/zinc/62/30/64/981623064.db2.gz DHNUDUYACBFXJY-UHFFFAOYSA-N 0 2 411.683 3.827 20 0 HHADLN CC(C)N(C)C(=O)C1CCN(C(=O)c2cc(Cl)cc(Br)c2O)CC1 ZINC000436922451 981626069 /nfs/dbraw/zinc/62/60/69/981626069.db2.gz YFJWOJXWBDZNAJ-UHFFFAOYSA-N 0 2 417.731 3.527 20 0 HHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000436953878 981643435 /nfs/dbraw/zinc/64/34/35/981643435.db2.gz SDTIMJFINLEONN-OAHLLOKOSA-N 0 2 416.193 3.786 20 0 HHADLN O=C(Nc1c[nH]nc1[C@H]1CCCN(C(=O)c2cc(F)c(O)c(F)c2)C1)C1CCCC1 ZINC000436969514 981655493 /nfs/dbraw/zinc/65/54/93/981655493.db2.gz YRGFKNSGRGSXGW-ZDUSSCGKSA-N 0 2 418.444 3.542 20 0 HHADLN COCCNc1ccccc1CNC(=O)c1cc(Cl)cc(Br)c1O ZINC000436986348 981668558 /nfs/dbraw/zinc/66/85/58/981668558.db2.gz FOEOHAKTADXRJN-UHFFFAOYSA-N 0 2 413.699 3.796 20 0 HHADLN CO[C@H]1CCOc2c(NC(=O)C(=O)Nc3cc(Cl)c(O)c(Cl)c3)cccc21 ZINC000448289166 981676649 /nfs/dbraw/zinc/67/66/49/981676649.db2.gz IYVLYQKUEPBJPF-AWEZNQCLSA-N 0 2 411.241 3.746 20 0 HHADLN O=C(c1cc(F)cc(Br)c1[O-])N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000448464573 981799006 /nfs/dbraw/zinc/79/90/06/981799006.db2.gz HIHQIOIKJJEPIJ-UHFFFAOYSA-N 0 2 422.298 3.846 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(Cl)c2)s1)c1cccc(F)c1F ZINC000437172243 981827100 /nfs/dbraw/zinc/82/71/00/981827100.db2.gz OMGGRMZAXYGXLU-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN CCCCCc1nnc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)s1 ZINC000437178358 981833622 /nfs/dbraw/zinc/83/36/22/981833622.db2.gz ZJHPRICUPKRCNK-UHFFFAOYSA-N 0 2 402.501 3.791 20 0 HHADLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)c1 ZINC000437180759 981837531 /nfs/dbraw/zinc/83/75/31/981837531.db2.gz LTLMLZCEOPHLRY-UHFFFAOYSA-N 0 2 409.533 3.557 20 0 HHADLN O=C1CCCN1c1ccc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)cc1 ZINC000437187688 981844188 /nfs/dbraw/zinc/84/41/88/981844188.db2.gz YNMJMYSQHGVFHC-UHFFFAOYSA-N 0 2 420.560 3.589 20 0 HHADLN CCCCCc1nnc(NS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)s1 ZINC000437196103 981853138 /nfs/dbraw/zinc/85/31/38/981853138.db2.gz CDGFICMAZXYXIN-UHFFFAOYSA-N 0 2 402.929 3.683 20 0 HHADLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)s1 ZINC000437197529 981854787 /nfs/dbraw/zinc/85/47/87/981854787.db2.gz XQVOAWJHIXIMRX-UHFFFAOYSA-N 0 2 402.501 3.961 20 0 HHADLN CCOCCCCNC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C ZINC000448544896 981873437 /nfs/dbraw/zinc/87/34/37/981873437.db2.gz ZRHPGOMZYKLITK-UHFFFAOYSA-N 0 2 423.510 3.873 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000460128725 981902829 /nfs/dbraw/zinc/90/28/29/981902829.db2.gz RHINQOYMXQGBGV-AWEZNQCLSA-N 0 2 414.512 3.829 20 0 HHADLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3cnn(-c4ccccc4OC)c3)sc2C1 ZINC000437307629 981959542 /nfs/dbraw/zinc/95/95/42/981959542.db2.gz QNBKSMLQZYINID-CYBMUJFWSA-N 0 2 418.544 3.653 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc3c(s2)C[C@H](C)CC3)c1 ZINC000437310017 981962016 /nfs/dbraw/zinc/96/20/16/981962016.db2.gz PBVRUAOABLEUCW-SECBINFHSA-N 0 2 400.909 3.509 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2cccc3cccnc32)cn1)c1ccccc1 ZINC000437316577 981967976 /nfs/dbraw/zinc/96/79/76/981967976.db2.gz FBGLIGBMDZOADG-UHFFFAOYSA-N 0 2 404.451 3.683 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2ccccc2OC(F)F)cn1)c1ccccc1 ZINC000437320014 981971488 /nfs/dbraw/zinc/97/14/88/981971488.db2.gz UEJYYQQOPTZMKM-UHFFFAOYSA-N 0 2 419.409 3.736 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)cn1 ZINC000437331042 981982352 /nfs/dbraw/zinc/98/23/52/981982352.db2.gz HDMWMWQXBWTKGP-UHFFFAOYSA-N 0 2 422.438 3.570 20 0 HHADLN CC(C)c1cnc(NS(=O)(=O)c2cccc(I)c2)s1 ZINC000437337487 981987476 /nfs/dbraw/zinc/98/74/76/981987476.db2.gz BKTMCLUTMXAMDC-UHFFFAOYSA-N 0 2 408.286 3.672 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2nc3c(s2)CCCC3)c(F)c1Cl ZINC000437337737 981988557 /nfs/dbraw/zinc/98/85/57/981988557.db2.gz CKEKPURTHKSHRL-UHFFFAOYSA-N 0 2 421.878 3.713 20 0 HHADLN CC(C)n1cc(S(=O)(=O)Nc2nc3c(s2)C[C@@H](c2ccccc2)CC3)cn1 ZINC000437394889 982039360 /nfs/dbraw/zinc/03/93/60/982039360.db2.gz SYXPFEKYQPVWIN-HNNXBMFYSA-N 0 2 402.545 3.994 20 0 HHADLN CC(C)(C)c1nc2ccc(S(=O)(=O)Nc3cccnc3-n3cccn3)cc2s1 ZINC000437398330 982043212 /nfs/dbraw/zinc/04/32/12/982043212.db2.gz XMRHSRVGLOKDRL-UHFFFAOYSA-N 0 2 413.528 3.975 20 0 HHADLN O=S(=O)(Nc1cccc(-c2ccc3c(c2)OCCO3)n1)c1cc(F)c(F)c(F)c1 ZINC000437399958 982044546 /nfs/dbraw/zinc/04/45/46/982044546.db2.gz GFJHQUTYVHEVSY-UHFFFAOYSA-N 0 2 422.384 3.738 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc3c(ccc(Cl)c3Cl)s2)c[nH]1 ZINC000437415670 982057448 /nfs/dbraw/zinc/05/74/48/982057448.db2.gz ZFIVGTVOPCCRAU-UHFFFAOYSA-N 0 2 406.272 3.519 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)Nc2ccc(SC3CCCC3)cc2)s[nH]1 ZINC000437454153 982088683 /nfs/dbraw/zinc/08/86/83/982088683.db2.gz YNKRHEULDPNWSE-UHFFFAOYSA-N 0 2 404.561 3.869 20 0 HHADLN COC(=O)c1c(C)cccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000460445174 982237498 /nfs/dbraw/zinc/23/74/98/982237498.db2.gz RPOCEXYPVPUAFN-UHFFFAOYSA-N 0 2 404.271 3.898 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc3c(c2)CCC3)nc1C(F)(F)F ZINC000460537521 982325054 /nfs/dbraw/zinc/32/50/54/982325054.db2.gz ZZWRCNSXBKHGNL-UHFFFAOYSA-N 0 2 420.434 3.628 20 0 HHADLN Cc1c(Br)cccc1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000460834804 982584668 /nfs/dbraw/zinc/58/46/68/982584668.db2.gz WIYJYURTPCIXJO-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2OC(F)F)c(Cl)c1 ZINC000460836212 982585414 /nfs/dbraw/zinc/58/54/14/982585414.db2.gz ALOYWDGIDAKWRD-UHFFFAOYSA-N 0 2 409.769 3.668 20 0 HHADLN COCCOc1cccc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c1 ZINC000460839691 982588393 /nfs/dbraw/zinc/58/83/93/982588393.db2.gz KDSAKUVKURMITM-UHFFFAOYSA-N 0 2 421.906 3.660 20 0 HHADLN Cc1c(CSC(C)C)cccc1NS(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000460842529 982590026 /nfs/dbraw/zinc/59/00/26/982590026.db2.gz LIMIBKJCSCKBPM-UHFFFAOYSA-N 0 2 413.586 3.841 20 0 HHADLN CC(C)CCO[C@@H]1CCCC[C@H]1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000438320192 982721362 /nfs/dbraw/zinc/72/13/62/982721362.db2.gz XXMHZWBJIUCNDR-RTBURBONSA-N 0 2 415.538 3.557 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1c[nH]cc1-c1ccc2c(c1)OCCO2 ZINC000461101606 982793586 /nfs/dbraw/zinc/79/35/86/982793586.db2.gz FJQJJADHGAACJI-UHFFFAOYSA-N 0 2 410.480 3.707 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(F)c2)o1)c1ccc(C(F)(F)F)s1 ZINC000461116952 982810106 /nfs/dbraw/zinc/81/01/06/982810106.db2.gz ZOHTYBVRSCDYDJ-UHFFFAOYSA-N 0 2 407.370 3.681 20 0 HHADLN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1ccc(C)cc1Br ZINC000461119559 982815141 /nfs/dbraw/zinc/81/51/41/982815141.db2.gz ZHSLOADMTZNPRR-UHFFFAOYSA-N 0 2 412.231 3.619 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3csc(-c4ccncc4)n3)cc2F)c1 ZINC000461126403 982826719 /nfs/dbraw/zinc/82/67/19/982826719.db2.gz JLSNWZXYEXNYKN-UHFFFAOYSA-N 0 2 415.475 3.639 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCCC2(CCCC2)C1 ZINC000438686745 983002228 /nfs/dbraw/zinc/00/22/28/983002228.db2.gz KWCIUWSZHPJPPX-UHFFFAOYSA-N 0 2 405.545 3.740 20 0 HHADLN Cn1cc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c(C2CC2)n1 ZINC000461329738 983021729 /nfs/dbraw/zinc/02/17/29/983021729.db2.gz DTERHBLYMDKYCW-UHFFFAOYSA-N 0 2 424.242 3.880 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cccc(Oc3ccccn3)c2)cc1OC ZINC000438718205 983023834 /nfs/dbraw/zinc/02/38/34/983023834.db2.gz CDZPWCCJNFHOJO-UHFFFAOYSA-N 0 2 404.419 3.831 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000438734181 983032448 /nfs/dbraw/zinc/03/24/48/983032448.db2.gz KPNWYKHWIZTUOQ-AWEZNQCLSA-N 0 2 416.758 3.517 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)ccc1C(F)(F)F ZINC000438761311 983053030 /nfs/dbraw/zinc/05/30/30/983053030.db2.gz OUKVWCCSGVODOL-UHFFFAOYSA-N 0 2 402.369 3.838 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cn1 ZINC000438791957 983073412 /nfs/dbraw/zinc/07/34/12/983073412.db2.gz DDXFFZCTXIVZCM-UHFFFAOYSA-N 0 2 412.515 3.672 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)cn1 ZINC000438793940 983074843 /nfs/dbraw/zinc/07/48/43/983074843.db2.gz UKRJQJDRHWOTGH-UHFFFAOYSA-N 0 2 412.496 3.805 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cn1 ZINC000438796644 983076572 /nfs/dbraw/zinc/07/65/72/983076572.db2.gz RHTBCYFCDUEEEE-UHFFFAOYSA-N 0 2 413.377 3.580 20 0 HHADLN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccccc3OCC(F)(F)F)cc2o1 ZINC000438800289 983078485 /nfs/dbraw/zinc/07/84/85/983078485.db2.gz FQQRRQISURXMBA-UHFFFAOYSA-N 0 2 422.768 3.516 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)=N1 ZINC000438907401 983147470 /nfs/dbraw/zinc/14/74/70/983147470.db2.gz NPYUGWVFZOVZID-UHFFFAOYSA-N 0 2 420.513 3.776 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)NCc2ccc(C(=O)N(CC)CC)cc2)=N1 ZINC000438992910 983199027 /nfs/dbraw/zinc/19/90/27/983199027.db2.gz JASVCNBLHIVADV-UHFFFAOYSA-N 0 2 420.513 3.552 20 0 HHADLN COc1ccccc1OCCN(C)C(=O)c1cc(Cl)cc(Br)c1O ZINC000438999088 983202051 /nfs/dbraw/zinc/20/20/51/983202051.db2.gz LFRRVKALBIOLHF-UHFFFAOYSA-N 0 2 414.683 3.968 20 0 HHADLN CCCNC(=O)c1cccc(CNC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)c1 ZINC000439002721 983204280 /nfs/dbraw/zinc/20/42/80/983204280.db2.gz AOJOKTBINVRKTL-UHFFFAOYSA-N 0 2 420.513 3.771 20 0 HHADLN Cc1c(CS(C)(=O)=O)cccc1NS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000439036609 983222390 /nfs/dbraw/zinc/22/23/90/983222390.db2.gz BPWCWYGVKVHEHJ-UHFFFAOYSA-N 0 2 401.575 3.699 20 0 HHADLN C[C@H](Oc1cccc(Br)c1)C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000439208982 983311735 /nfs/dbraw/zinc/31/17/35/983311735.db2.gz CHUSFINQFMWMPY-JTQLQIEISA-N 0 2 405.227 3.779 20 0 HHADLN CC(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cc1 ZINC000439244141 983328493 /nfs/dbraw/zinc/32/84/93/983328493.db2.gz GMWGORGLTUMKRO-UHFFFAOYSA-N 0 2 417.238 3.757 20 0 HHADLN C[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439244822 983328838 /nfs/dbraw/zinc/32/88/38/983328838.db2.gz HODOYIXCSMJLHU-JTQLQIEISA-N 0 2 405.227 3.779 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000439370900 983382746 /nfs/dbraw/zinc/38/27/46/983382746.db2.gz KOPXXGUABQYMSU-FVQBIDKESA-N 0 2 406.939 3.828 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000439370899 983382788 /nfs/dbraw/zinc/38/27/88/983382788.db2.gz KOPXXGUABQYMSU-BMFZPTHFSA-N 0 2 406.939 3.828 20 0 HHADLN Cc1noc(C2CCC(NC(=O)C3=NN(c4ccc(C(C)C)cc4)CC3=O)CC2)n1 ZINC000439917123 983582520 /nfs/dbraw/zinc/58/25/20/983582520.db2.gz HWYGMYUZRSYXHN-UHFFFAOYSA-N 0 2 409.490 3.849 20 0 HHADLN CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000440017967 983615306 /nfs/dbraw/zinc/61/53/06/983615306.db2.gz DHCHCDASGJAIQI-HSZRJFAPSA-N 0 2 411.477 3.829 20 0 HHADLN Cc1csc(Nc2cccc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)c2)n1 ZINC000440814879 983918426 /nfs/dbraw/zinc/91/84/26/983918426.db2.gz QKRDVFSDLXWSQH-UHFFFAOYSA-N 0 2 419.532 3.544 20 0 HHADLN Cc1ccc(NC(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)cc1OCCC(C)C ZINC000441176018 984101882 /nfs/dbraw/zinc/10/18/82/984101882.db2.gz UMTCUGQWMKGQBU-UHFFFAOYSA-N 0 2 404.536 3.568 20 0 HHADLN CCC(C)(C)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000441561605 984323401 /nfs/dbraw/zinc/32/34/01/984323401.db2.gz DCUSTQMURMLBMA-MRXNPFEDSA-N 0 2 407.561 3.985 20 0 HHADLN CCCSc1nc(=NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccc(C)cc2C)s[n-]1 ZINC000442213838 984732529 /nfs/dbraw/zinc/73/25/29/984732529.db2.gz LSFPUHPSCMPCSJ-INIZCTEOSA-N 0 2 416.576 3.838 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC000442223275 984743005 /nfs/dbraw/zinc/74/30/05/984743005.db2.gz YACMXAUVLOOYAV-UHFFFAOYSA-N 0 2 423.397 3.652 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 ZINC000442339794 984845363 /nfs/dbraw/zinc/84/53/63/984845363.db2.gz GWDUEJPXNMXIFG-UHFFFAOYSA-N 0 2 416.430 3.991 20 0 HHADLN O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000461923852 984933908 /nfs/dbraw/zinc/93/39/08/984933908.db2.gz YHCAVNGYGRHYFB-UHFFFAOYSA-N 0 2 400.320 3.793 20 0 HHADLN NC(=O)CCNc1ccccc1NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl ZINC000462096826 985067633 /nfs/dbraw/zinc/06/76/33/985067633.db2.gz GKLDPDQEADMVTL-UHFFFAOYSA-N 0 2 422.721 3.735 20 0 HHADLN CC[C@H](Cc1ccccc1)NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000462159025 985133805 /nfs/dbraw/zinc/13/38/05/985133805.db2.gz YWQITYWKXHDJMC-CYBMUJFWSA-N 0 2 416.877 3.876 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000442820172 985227858 /nfs/dbraw/zinc/22/78/58/985227858.db2.gz ASOJMZVBBREEPG-UHFFFAOYSA-N 0 2 413.517 3.785 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3nc(C)co3)ccc2C)c(OC)c1 ZINC000442834885 985236234 /nfs/dbraw/zinc/23/62/34/985236234.db2.gz DWXCZMYUHYZBQR-UHFFFAOYSA-N 0 2 416.455 3.554 20 0 HHADLN CC(C)(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2Cl)cc1 ZINC000442844919 985243337 /nfs/dbraw/zinc/24/33/37/985243337.db2.gz WWSBXNLKUHDFCE-UHFFFAOYSA-N 0 2 405.900 3.852 20 0 HHADLN O=C(NC1CCCC1)c1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442853948 985247088 /nfs/dbraw/zinc/24/70/88/985247088.db2.gz VJPMAIJHNZNUMB-UHFFFAOYSA-N 0 2 413.421 3.574 20 0 HHADLN O=S(=O)(c1c[nH]c2cccc(F)c21)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000443029367 985344179 /nfs/dbraw/zinc/34/41/79/985344179.db2.gz QXAKLSTVZRDYLE-MRXNPFEDSA-N 0 2 411.462 3.618 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000443127336 985393167 /nfs/dbraw/zinc/39/31/67/985393167.db2.gz BAVMBVUTVIQMQI-UHFFFAOYSA-N 0 2 422.450 3.729 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2ccc(C)cc2C)c(F)c1Cl ZINC000462524486 985473820 /nfs/dbraw/zinc/47/38/20/985473820.db2.gz INQXGAGFEZZAQW-UHFFFAOYSA-N 0 2 402.850 3.672 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCCc2ccc(C)cc2C)c(F)c1Cl ZINC000462547441 985495703 /nfs/dbraw/zinc/49/57/03/985495703.db2.gz GNZVAGGKNVCSPU-UHFFFAOYSA-N 0 2 416.877 3.714 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H](C)c2ccc(F)cc2)c(F)c1Cl ZINC000462557570 985505572 /nfs/dbraw/zinc/50/55/72/985505572.db2.gz VKNANCZWYOKGQC-SECBINFHSA-N 0 2 420.840 3.798 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(Br)ccc2OC)c(C)c(OC)c1 ZINC000443416416 985572487 /nfs/dbraw/zinc/57/24/87/985572487.db2.gz IOBHTEWTRICCLK-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H]3CCO[C@@H](c4ccccc4)C3)s[nH]2)c1 ZINC000462728055 985674712 /nfs/dbraw/zinc/67/47/12/985674712.db2.gz QZSZFHYCCMGSJN-SJLPKXTDSA-N 0 2 410.499 3.677 20 0 HHADLN Cc1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c(F)cc1F ZINC000443578003 985753059 /nfs/dbraw/zinc/75/30/59/985753059.db2.gz FFOJHDQFTIVGTR-UHFFFAOYSA-N 0 2 409.439 3.783 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1csc(C2CC2)n1 ZINC000443578042 985753143 /nfs/dbraw/zinc/75/31/43/985753143.db2.gz GLWBEDWPVNJICV-UHFFFAOYSA-N 0 2 406.514 3.530 20 0 HHADLN CCc1ccc(CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1 ZINC000443581535 985756600 /nfs/dbraw/zinc/75/66/00/985756600.db2.gz MSRJVIIWHCPYPU-UHFFFAOYSA-N 0 2 401.513 3.688 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1(c2cccc(F)c2)CC1 ZINC000443592317 985768568 /nfs/dbraw/zinc/76/85/68/985768568.db2.gz RGKZDJNVVFWLAT-UHFFFAOYSA-N 0 2 417.487 3.753 20 0 HHADLN CC(C)OC(=O)C[C@H]1CCCN(C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)C1 ZINC000468140402 985807526 /nfs/dbraw/zinc/80/75/26/985807526.db2.gz OUPDEBCCMGXGSN-QGZVFWFLSA-N 0 2 413.518 3.895 20 0 HHADLN CCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cn1 ZINC000443676722 985886763 /nfs/dbraw/zinc/88/67/63/985886763.db2.gz QGUKYDANWOGPOH-SWLSCSKDSA-N 0 2 421.288 3.711 20 0 HHADLN O=S(=O)(Cc1nnc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2[nH]1 ZINC000462954032 985897455 /nfs/dbraw/zinc/89/74/55/985897455.db2.gz AONHPMRUYXKQFN-UHFFFAOYSA-N 0 2 409.254 3.894 20 0 HHADLN COC(=O)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl)c1cccs1 ZINC000443778192 985984797 /nfs/dbraw/zinc/98/47/97/985984797.db2.gz HDCJBTYVTVRLDV-GFCCVEGCSA-N 0 2 413.826 3.613 20 0 HHADLN Cc1cc(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)cnn1 ZINC000468325270 986020714 /nfs/dbraw/zinc/02/07/14/986020714.db2.gz FQQJFIWGKGWSFF-UHFFFAOYSA-N 0 2 420.853 3.631 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N2CCC[C@@H](c3nc4ccc(F)cc4o3)C2)s[nH]1 ZINC000443853390 986057225 /nfs/dbraw/zinc/05/72/25/986057225.db2.gz BWHRHBGEEKAUAD-LLVKDONJSA-N 0 2 403.483 3.949 20 0 HHADLN CCOc1ccc(-n2ncc(C(=O)Nc3cc(Cl)c(O)c(Cl)c3)c2C)nn1 ZINC000463107138 986067971 /nfs/dbraw/zinc/06/79/71/986067971.db2.gz PVRNDJIFQAHFGY-UHFFFAOYSA-N 0 2 408.245 3.634 20 0 HHADLN CN(C)C(=O)c1cccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c1 ZINC000463163018 986134375 /nfs/dbraw/zinc/13/43/75/986134375.db2.gz LKGAJUPRLPGKFP-UHFFFAOYSA-N 0 2 404.257 3.733 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000463163132 986135263 /nfs/dbraw/zinc/13/52/63/986135263.db2.gz RBYTZTGNJIJCJI-VIFPVBQESA-N 0 2 422.238 3.991 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000463165964 986137726 /nfs/dbraw/zinc/13/77/26/986137726.db2.gz YQRURDNHXVQLKK-SNVBAGLBSA-N 0 2 408.289 3.508 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1cn(Cc2ccccc2)nn1 ZINC000463167681 986139443 /nfs/dbraw/zinc/13/94/43/986139443.db2.gz FIHCLAIWUJEJSU-UHFFFAOYSA-N 0 2 414.256 3.671 20 0 HHADLN O=C(CCNC(=O)C1CCCCC1)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463167476 986139650 /nfs/dbraw/zinc/13/96/50/986139650.db2.gz VUZSTEMPDKAQDW-UHFFFAOYSA-N 0 2 410.305 3.804 20 0 HHADLN O=C(CCNC(=O)c1ccc(F)cc1)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463169109 986140603 /nfs/dbraw/zinc/14/06/03/986140603.db2.gz HLNFHBNFLPHSBI-UHFFFAOYSA-N 0 2 422.247 3.676 20 0 HHADLN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)S(=O)(=O)c2ccccc2C(F)(F)F)c1C ZINC000468488419 986186998 /nfs/dbraw/zinc/18/69/98/986186998.db2.gz PLBMAJLKXMGOAI-GFCCVEGCSA-N 0 2 401.406 3.898 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OC)cc1OC ZINC000468531902 986237702 /nfs/dbraw/zinc/23/77/02/986237702.db2.gz VMIMTDROTZPXEP-LBPRGKRZSA-N 0 2 415.895 3.572 20 0 HHADLN CCc1nc(NS(=O)(=O)c2cc(OC)c(Br)cc2OC)sc1C ZINC000444042312 986240133 /nfs/dbraw/zinc/24/01/33/986240133.db2.gz ATXDSIZDIWXGRQ-UHFFFAOYSA-N 0 2 421.338 3.594 20 0 HHADLN Cc1cc(Br)cc(S(=O)(=O)Nc2ccc(Br)cn2)c1 ZINC000444047315 986245518 /nfs/dbraw/zinc/24/55/18/986245518.db2.gz FCUIKBUBUVQRBB-UHFFFAOYSA-N 0 2 406.099 3.716 20 0 HHADLN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000444061430 986263093 /nfs/dbraw/zinc/26/30/93/986263093.db2.gz BSGAJCZJNJOHON-UHFFFAOYSA-N 0 2 412.231 3.619 20 0 HHADLN CC(C)c1nnc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)o1 ZINC000444061558 986263772 /nfs/dbraw/zinc/26/37/72/986263772.db2.gz YEUITDMBFSFYEW-CYBMUJFWSA-N 0 2 415.899 3.595 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000463303476 986270430 /nfs/dbraw/zinc/27/04/30/986270430.db2.gz DANSAXYYXKPVEB-UHFFFAOYSA-N 0 2 407.455 3.597 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@H](C)c3ccc(NC(N)=O)cc3)=N2)cc1 ZINC000468609550 986323964 /nfs/dbraw/zinc/32/39/64/986323964.db2.gz QVLLKQMSRPCSTL-CQSZACIVSA-N 0 2 407.474 3.683 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@@H](C[S@](C)=O)c3ccccc3)=N2)cc1 ZINC000468610639 986324345 /nfs/dbraw/zinc/32/43/45/986324345.db2.gz ZFOZFTZLAMJDLM-SLQAJWMNSA-N 0 2 411.527 3.551 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N(C)[C@H]3CCN(c4ccccc4)C3=O)=N2)cc1 ZINC000468612631 986327163 /nfs/dbraw/zinc/32/71/63/986327163.db2.gz ZRKGBFDYUQYJAS-FQEVSTJZSA-N 0 2 418.497 3.579 20 0 HHADLN COc1ccc(-c2nsc(NS(=O)(=O)c3cccc(C(C)C)c3)n2)cc1F ZINC000444202378 986381554 /nfs/dbraw/zinc/38/15/54/986381554.db2.gz DEWAZEKLPYJXOZ-UHFFFAOYSA-N 0 2 407.492 3.699 20 0 HHADLN COc1ccc(-c2nsc(NS(=O)(=O)c3cccc(Cl)c3C)n2)cc1F ZINC000444216046 986400249 /nfs/dbraw/zinc/40/02/49/986400249.db2.gz UPMXFGAUUSNVIL-UHFFFAOYSA-N 0 2 413.883 3.537 20 0 HHADLN Cn1cc(-c2[nH]ncc2C(=O)NCCc2ccc(Oc3ccc(F)cc3)cc2)cn1 ZINC000444234589 986422744 /nfs/dbraw/zinc/42/27/44/986422744.db2.gz DSHPXDICKKBNCL-UHFFFAOYSA-N 0 2 405.433 3.714 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)=N1 ZINC000468737976 986451003 /nfs/dbraw/zinc/45/10/03/986451003.db2.gz UMPNUDSKPRRWBV-UHFFFAOYSA-N 0 2 417.444 3.831 20 0 HHADLN COC(=O)c1ccc(-c2csc(NS(=O)(=O)Cc3ccc(C)c(F)c3)n2)cc1 ZINC000468781645 986493464 /nfs/dbraw/zinc/49/34/64/986493464.db2.gz BWRLCYYGSRXVGC-UHFFFAOYSA-N 0 2 420.487 3.986 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)C1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000444342485 986522106 /nfs/dbraw/zinc/52/21/06/986522106.db2.gz XIENBHIEVWVJEK-UHFFFAOYSA-N 0 2 416.403 3.751 20 0 HHADLN CCOc1cc(Cl)ccc1NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000468821265 986530301 /nfs/dbraw/zinc/53/03/01/986530301.db2.gz FGMSCEDCAODYCR-UHFFFAOYSA-N 0 2 401.271 3.688 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2cc(-c3ccc(C)s3)[nH]n2)cc1 ZINC000444425687 986609312 /nfs/dbraw/zinc/60/93/12/986609312.db2.gz VWCUYFJULRONCZ-UHFFFAOYSA-N 0 2 407.517 3.663 20 0 HHADLN COCc1cccc(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)c1 ZINC000468960325 986664034 /nfs/dbraw/zinc/66/40/34/986664034.db2.gz MOYFVWUDGOUNMF-UHFFFAOYSA-N 0 2 401.469 3.899 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(F)c(Br)c3)s[nH]2)c1 ZINC000463758825 986749352 /nfs/dbraw/zinc/74/93/52/986749352.db2.gz CPYBKYWBPXXTQI-UHFFFAOYSA-N 0 2 408.252 3.790 20 0 HHADLN O=S(=O)(Nc1cnn(C(F)F)c1)c1ccc(OCC(F)F)c2ccccc21 ZINC000463793964 986785114 /nfs/dbraw/zinc/78/51/14/986785114.db2.gz DGTZGAUOWSUWEA-UHFFFAOYSA-N 0 2 403.357 3.876 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C[C@@H]3CC[C@@H](C)C3)cc2)nc(C)n1 ZINC000469176788 986902193 /nfs/dbraw/zinc/90/21/93/986902193.db2.gz KYKQMESAONQRFU-CZUORRHYSA-N 0 2 402.520 3.659 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CC[C@H](OCC(C)C)C2)cc1 ZINC000469289213 987005477 /nfs/dbraw/zinc/00/54/77/987005477.db2.gz JNFSGTNGVRPXMS-KRWDZBQOSA-N 0 2 422.572 3.744 20 0 HHADLN Cn1ncc(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c1Cc1ccccc1 ZINC000445184604 987264989 /nfs/dbraw/zinc/26/49/89/987264989.db2.gz KBFIEDGZHBYUOZ-UHFFFAOYSA-N 0 2 409.902 3.857 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCO[C@H](c4cccc(O)c4)C3)=N2)c1 ZINC000469893205 987530560 /nfs/dbraw/zinc/53/05/60/987530560.db2.gz MMXYPVNHGWKRMB-NRFANRHFSA-N 0 2 407.470 3.621 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3c(C)cccc3Br)s[nH]2)c1 ZINC000463942822 988052732 /nfs/dbraw/zinc/05/27/32/988052732.db2.gz DUMSPLFLIUPJSO-UHFFFAOYSA-N 0 2 404.289 3.959 20 0 HHADLN CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(OC)c(Br)c2)[nH]n1 ZINC000470492999 988485697 /nfs/dbraw/zinc/48/56/97/988485697.db2.gz QZJPNIDGHIGCQT-SNVBAGLBSA-N 0 2 402.314 3.885 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(SC)c(Cl)c2)nc1C ZINC000464420935 988592062 /nfs/dbraw/zinc/59/20/62/988592062.db2.gz JYBBNVBOOKAYLU-UHFFFAOYSA-N 0 2 406.938 3.804 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccccc1CCC(F)(F)F ZINC000464831923 989072364 /nfs/dbraw/zinc/07/23/64/989072364.db2.gz OIXQEJQGFAIJCL-UHFFFAOYSA-N 0 2 405.394 3.979 20 0 HHADLN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1F ZINC000471135465 989245737 /nfs/dbraw/zinc/24/57/37/989245737.db2.gz DDGXTLRLBZBKKO-UHFFFAOYSA-N 0 2 421.471 3.822 20 0 HHADLN Cn1cc[nH+]c1[C@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)C1 ZINC000471304386 989466538 /nfs/dbraw/zinc/46/65/38/989466538.db2.gz PUKYGIAJEYMGRQ-NSHDSACASA-N 0 2 420.901 3.565 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2ccc(OC)c(OC)c2)s1)c1ccccc1 ZINC000471510316 989708890 /nfs/dbraw/zinc/70/88/90/989708890.db2.gz JWYBBFQQDBQLFP-OAHLLOKOSA-N 0 2 419.528 3.898 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(CC4CCCCC4)n[nH]3)cc2C[C@@H]1C ZINC000471520065 989719117 /nfs/dbraw/zinc/71/91/17/989719117.db2.gz BGWFFUDIKOPILS-AWEZNQCLSA-N 0 2 416.547 3.631 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nnc(-c2ccsc2)s1 ZINC000471527793 989727422 /nfs/dbraw/zinc/72/74/22/989727422.db2.gz RCTOKLBDDIIVSM-UHFFFAOYSA-N 0 2 415.905 3.507 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1cccc2ccn(C)c21 ZINC000471580886 989785032 /nfs/dbraw/zinc/78/50/32/989785032.db2.gz LFUMNVZGXKRXQQ-UHFFFAOYSA-N 0 2 413.268 3.889 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC000471924391 990091020 /nfs/dbraw/zinc/09/10/20/990091020.db2.gz MRCJYUVCLOKLQC-UHFFFAOYSA-N 0 2 404.879 3.610 20 0 HHADLN CC(C)n1nc2c(c1NS(=O)(=O)c1ccc(Br)c(F)c1)CCC2 ZINC000471934101 990099405 /nfs/dbraw/zinc/09/94/05/990099405.db2.gz MXXKRYNSJZACJK-UHFFFAOYSA-N 0 2 402.289 3.655 20 0 HHADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2cccc(Br)c2)n1 ZINC000471939364 990103837 /nfs/dbraw/zinc/10/38/37/990103837.db2.gz CYUNLAOKYAFRQN-UHFFFAOYSA-N 0 2 416.347 3.560 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)ccc1Br ZINC000471980521 990147002 /nfs/dbraw/zinc/14/70/02/990147002.db2.gz SAJPJEYDRXFMSD-UHFFFAOYSA-N 0 2 410.648 3.757 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 ZINC000466350555 991613184 /nfs/dbraw/zinc/61/31/84/991613184.db2.gz UEUIQMOLMMKHMY-UHFFFAOYSA-N 0 2 404.419 3.685 20 0 HHADLN CCn1c2ccc(S(=O)(=O)Nc3cc(C(C)(C)C)nn3C(C)(C)C)cc2oc1=O ZINC000466955733 992265142 /nfs/dbraw/zinc/26/51/42/992265142.db2.gz QGGHUYSHROIKKL-UHFFFAOYSA-N 0 2 420.535 3.664 20 0 HHADLN COc1ccc(OC(F)F)c(NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000467093970 992399790 /nfs/dbraw/zinc/39/97/90/992399790.db2.gz UCCVIWAATLGSOS-UHFFFAOYSA-N 0 2 410.402 3.671 20 0 HHADLN Cc1sc2[nH]c([C@@H](C)N(C)Cc3nc(=O)c4sccc4[nH]3)nc(=O)c2c1C ZINC000467288211 992611919 /nfs/dbraw/zinc/61/19/19/992611919.db2.gz GLQJREMQNLNULZ-SECBINFHSA-N 0 2 401.517 3.917 20 0 HHADLN Cc1ccc(NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1C(=O)NC(C)C ZINC000467384799 992699941 /nfs/dbraw/zinc/69/99/41/992699941.db2.gz KFMIQKZSBOBAEG-UHFFFAOYSA-N 0 2 413.503 3.507 20 0 HHADLN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)[C@H]1Cc2cc(Br)ccc2O1 ZINC000472160794 993210166 /nfs/dbraw/zinc/21/01/66/993210166.db2.gz UUTXWVOVNKUNDK-CQSZACIVSA-N 0 2 419.666 3.830 20 0 HHADLN CN1CCOc2ccc(NC(=O)c3[nH]nc(-c4ccccc4)c3Br)cc21 ZINC000472173711 993218364 /nfs/dbraw/zinc/21/83/64/993218364.db2.gz OXRSFZRUXGBPKU-UHFFFAOYSA-N 0 2 413.275 3.920 20 0 HHADLN O=S(=O)(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1ccc(Cl)cc1F ZINC000481045174 993889062 /nfs/dbraw/zinc/88/90/62/993889062.db2.gz WMELYOVRTQPQSE-UHFFFAOYSA-N 0 2 401.250 3.573 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)Cc3cccc(F)c3)s2)c1 ZINC000481420722 994255357 /nfs/dbraw/zinc/25/53/57/994255357.db2.gz OVKLYGHCZLXAKC-UHFFFAOYSA-N 0 2 420.487 3.602 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1cccc(OC(F)(F)F)c1 ZINC000473508610 994359901 /nfs/dbraw/zinc/35/99/01/994359901.db2.gz OEPSBDDXFNVBIQ-UHFFFAOYSA-N 0 2 407.352 3.604 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccc2)cnn1-c1ccccn1 ZINC000481608722 994462109 /nfs/dbraw/zinc/46/21/09/994462109.db2.gz LSOHMWDQTXUIBN-UHFFFAOYSA-N 0 2 413.890 3.821 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(F)cc1Br ZINC000473667685 994555494 /nfs/dbraw/zinc/55/54/94/994555494.db2.gz UOMLIAZGDVMDAY-UHFFFAOYSA-N 0 2 420.242 3.607 20 0 HHADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3cc4c(cc3C)OCO4)s2)c(C)c1 ZINC000481807269 994655457 /nfs/dbraw/zinc/65/54/57/994655457.db2.gz BJLVEQUUVMMZOG-UHFFFAOYSA-N 0 2 403.485 3.660 20 0 HHADLN Cc1cc2c(cc1S(=O)(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1)OCO2 ZINC000481813668 994662618 /nfs/dbraw/zinc/66/26/18/994662618.db2.gz GMJZAZLHPLZEMF-UHFFFAOYSA-N 0 2 423.853 3.562 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)c(Br)c1 ZINC000481816101 994666058 /nfs/dbraw/zinc/66/60/58/994666058.db2.gz OCACYKFIGYVHDY-UHFFFAOYSA-N 0 2 412.092 3.960 20 0 HHADLN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3cc(CC)nc(C)n3)ccc2s1 ZINC000481817410 994667309 /nfs/dbraw/zinc/66/73/09/994667309.db2.gz TVRHOKDACLIXMW-UHFFFAOYSA-N 0 2 405.501 3.540 20 0 HHADLN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3nnc(C(C)C)s3)ccc2s1 ZINC000481826208 994678240 /nfs/dbraw/zinc/67/82/40/994678240.db2.gz VSUNYGZECQBIMD-UHFFFAOYSA-N 0 2 411.530 3.854 20 0 HHADLN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3cc(C4CC4)nc(C)n3)ccc2s1 ZINC000481837425 994689636 /nfs/dbraw/zinc/68/96/36/994689636.db2.gz FYIVJSKRRQLFCM-UHFFFAOYSA-N 0 2 417.512 3.855 20 0 HHADLN CN(C)c1cccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c1 ZINC000481839012 994691469 /nfs/dbraw/zinc/69/14/69/994691469.db2.gz CEMNJUXRPPWAJV-UHFFFAOYSA-N 0 2 412.899 3.864 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3nnc(-c4cc(F)ccc4C)s3)cc12 ZINC000481845804 994700650 /nfs/dbraw/zinc/70/06/50/994700650.db2.gz ICAUJGGKJONXHU-UHFFFAOYSA-N 0 2 419.463 3.552 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3)o2)c(Cl)c1Cl ZINC000481861023 994720396 /nfs/dbraw/zinc/72/03/96/994720396.db2.gz CVPDGASNUINHRI-UHFFFAOYSA-N 0 2 414.270 3.777 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2nnc(Cc3ccccc3)o2)c1 ZINC000481866913 994728064 /nfs/dbraw/zinc/72/80/64/994728064.db2.gz OHPZSEIYAGVPDP-UHFFFAOYSA-N 0 2 408.277 3.532 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)nc1)c1ccccc1 ZINC000481884151 994749787 /nfs/dbraw/zinc/74/97/87/994749787.db2.gz UVAKDVPFZNTAHU-UHFFFAOYSA-N 0 2 407.373 3.552 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1Cl ZINC000481953045 994834397 /nfs/dbraw/zinc/83/43/97/994834397.db2.gz BIMTUPZVMYWTMW-UHFFFAOYSA-N 0 2 418.906 3.902 20 0 HHADLN C[C@@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1cccc(OC(F)F)c1 ZINC000473897453 994853243 /nfs/dbraw/zinc/85/32/43/994853243.db2.gz RQNLGHPNBVVWIM-CYBMUJFWSA-N 0 2 417.416 3.546 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1CCSc2ccc(F)cc21 ZINC000473899185 994857150 /nfs/dbraw/zinc/85/71/50/994857150.db2.gz YZJSWBRFKGSXKY-MRXNPFEDSA-N 0 2 413.478 3.559 20 0 HHADLN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473903460 994863919 /nfs/dbraw/zinc/86/39/19/994863919.db2.gz SEKDTDQPVDAYPB-KRWDZBQOSA-N 0 2 409.490 3.798 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NCc1ccccc1OC1CCCC1 ZINC000473909768 994872840 /nfs/dbraw/zinc/87/28/40/994872840.db2.gz ILDDUDJGJLECJY-UHFFFAOYSA-N 0 2 421.501 3.705 20 0 HHADLN O=C(NCCc1ccc2ccccc2c1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473911340 994874931 /nfs/dbraw/zinc/87/49/31/994874931.db2.gz NXVNTDZRRNTQEG-UHFFFAOYSA-N 0 2 401.470 3.579 20 0 HHADLN O=C(NCCc1c(Cl)cccc1Cl)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473913531 994879245 /nfs/dbraw/zinc/87/92/45/994879245.db2.gz OLQJHWYRGFYQKG-UHFFFAOYSA-N 0 2 420.300 3.732 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cc(Cc3ccccc3)ccc2O)cs1 ZINC000481984826 994882885 /nfs/dbraw/zinc/88/28/85/994882885.db2.gz WIDIHEDRUUPGKP-UHFFFAOYSA-N 0 2 403.481 3.632 20 0 HHADLN COc1ccc(C2(NC(=O)NCc3nnc(COc4ccccc4)[nH]3)CCCC2)cc1 ZINC000473952702 994930773 /nfs/dbraw/zinc/93/07/73/994930773.db2.gz XOPHTNUESFVLTP-UHFFFAOYSA-N 0 2 421.501 3.661 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000474008245 994998651 /nfs/dbraw/zinc/99/86/51/994998651.db2.gz GFEXDFOEMHHBEI-IBGZPJMESA-N 0 2 421.476 3.958 20 0 HHADLN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000474042495 995033332 /nfs/dbraw/zinc/03/33/32/995033332.db2.gz DSYHQMMUYDXLGB-UHFFFAOYSA-N 0 2 417.434 3.545 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1cnn(-c2ccc(Cl)cc2)c1 ZINC000482096102 995038674 /nfs/dbraw/zinc/03/86/74/995038674.db2.gz OELSFSWNFDFSPW-UHFFFAOYSA-N 0 2 414.878 3.900 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CC2(CCCC2)c2ccccc21 ZINC000474072160 995058564 /nfs/dbraw/zinc/05/85/64/995058564.db2.gz BVYKGYQAWLFKGJ-UHFFFAOYSA-N 0 2 403.486 3.925 20 0 HHADLN Cc1ccccc1C[C@@H]1CCCN1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474083445 995067368 /nfs/dbraw/zinc/06/73/68/995067368.db2.gz WDTQZZUWEWOHCC-IBGZPJMESA-N 0 2 405.502 3.609 20 0 HHADLN C[C@@H]1CN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)CC[C@H]1c1ccccc1 ZINC000474091428 995074507 /nfs/dbraw/zinc/07/45/07/995074507.db2.gz WZTQFAPVMHGJKM-YLJYHZDGSA-N 0 2 405.502 3.719 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(F)c(F)c(F)c1 ZINC000482303399 995282619 /nfs/dbraw/zinc/28/26/19/995282619.db2.gz PKGFRMPQIIMUIL-UHFFFAOYSA-N 0 2 413.402 3.614 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(-n4nc(C)cc4C)c(F)c3)s[nH]2)c1 ZINC000482393151 995377196 /nfs/dbraw/zinc/37/71/96/995377196.db2.gz MQSMNJYZRPMYOQ-UHFFFAOYSA-N 0 2 423.473 3.830 20 0 HHADLN CCCc1cc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)[nH]n1 ZINC000474419303 995383358 /nfs/dbraw/zinc/38/33/58/995383358.db2.gz UYUCRAKFXMUYES-UHFFFAOYSA-N 0 2 409.405 3.580 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(OCCC(C)C)cc2)n(-c2ccc(C)nn2)n1 ZINC000474421070 995385345 /nfs/dbraw/zinc/38/53/45/995385345.db2.gz KGXRQYMTXNPZNH-UHFFFAOYSA-N 0 2 415.519 3.505 20 0 HHADLN CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)NCc2n[nH]c(=O)[nH]2)cc1 ZINC000474566981 995530282 /nfs/dbraw/zinc/53/02/82/995530282.db2.gz RKTVTPQWBDACKK-UHFFFAOYSA-N 0 2 403.826 3.676 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccc(Cl)cc1Br ZINC000474580764 995541337 /nfs/dbraw/zinc/54/13/37/995541337.db2.gz BRFURBUSHHJEII-UHFFFAOYSA-N 0 2 421.682 3.730 20 0 HHADLN C[C@@H](Cc1ccccc1)n1cccc1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474590085 995549124 /nfs/dbraw/zinc/54/91/24/995549124.db2.gz QRBRGXBWLFXLDQ-SFHVURJKSA-N 0 2 415.497 3.919 20 0 HHADLN C[C@@H](C(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc(Br)s1 ZINC000474595042 995553516 /nfs/dbraw/zinc/55/35/16/995553516.db2.gz WZVBCCXCCWYQTH-LLVKDONJSA-N 0 2 421.320 3.628 20 0 HHADLN COc1ccc(-c2n[nH]c(NC(=O)c3cc(-c4ccc(F)cc4)on3)n2)c(OC)c1 ZINC000474651378 995597141 /nfs/dbraw/zinc/59/71/41/995597141.db2.gz NBOWJERCAKTTDN-UHFFFAOYSA-N 0 2 409.377 3.535 20 0 HHADLN CC[C@@H](C)n1ncc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1C ZINC000482798978 995756130 /nfs/dbraw/zinc/75/61/30/995756130.db2.gz LLJXCINPRYDTKK-GFCCVEGCSA-N 0 2 419.532 3.672 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccn(C(C)C)n2)cc1 ZINC000482798691 995756505 /nfs/dbraw/zinc/75/65/05/995756505.db2.gz NOENNADNSFHKNN-UHFFFAOYSA-N 0 2 404.517 3.887 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@H](c1nccs1)c1ccccc1 ZINC000482985311 995901957 /nfs/dbraw/zinc/90/19/57/995901957.db2.gz RYDHNIUCKPHJMC-HNNXBMFYSA-N 0 2 411.512 3.784 20 0 HHADLN Cc1cccc2c(=O)c(C(=O)N3CC=C(c4ccc5c(c4)OCCO5)CC3)c[nH]c12 ZINC000483304384 996089100 /nfs/dbraw/zinc/08/91/00/996089100.db2.gz DBLFEPWFRGIZRT-UHFFFAOYSA-N 0 2 402.450 3.537 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)cc1F ZINC000475738153 996337492 /nfs/dbraw/zinc/33/74/92/996337492.db2.gz ILEXNHFNWGKDBV-UHFFFAOYSA-N 0 2 417.499 3.787 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c(Br)c1 ZINC000475818744 996391218 /nfs/dbraw/zinc/39/12/18/996391218.db2.gz ZRGZJUWFDXGCKW-UHFFFAOYSA-N 0 2 422.304 3.503 20 0 HHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)s1 ZINC000475823291 996394017 /nfs/dbraw/zinc/39/40/17/996394017.db2.gz AHPCCVGKACUPGK-UHFFFAOYSA-N 0 2 406.529 3.890 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1ccccc1-c1csc(C)n1 ZINC000475835126 996403262 /nfs/dbraw/zinc/40/32/62/996403262.db2.gz SGRPEEMQCZWMDX-UHFFFAOYSA-N 0 2 404.513 3.945 20 0 HHADLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1cccnc1OCc1ccccc1F ZINC000483819813 996408480 /nfs/dbraw/zinc/40/84/80/996408480.db2.gz NVEGSQUIWMOTPO-UHFFFAOYSA-N 0 2 407.380 3.976 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3C[C@@]3(C)C(C)C)cc2)nc(C)n1 ZINC000483896053 996455063 /nfs/dbraw/zinc/45/50/63/996455063.db2.gz JUTVKFXHIUWRDX-XLIONFOSSA-N 0 2 402.520 3.515 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1F ZINC000476091276 996588774 /nfs/dbraw/zinc/58/87/74/996588774.db2.gz QUGGZKYYNOPXHN-UHFFFAOYSA-N 0 2 401.504 3.762 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3nn(-c4ccccc4)c4c3CCC4)s[nH]2)c1 ZINC000476285374 996731063 /nfs/dbraw/zinc/73/10/63/996731063.db2.gz DUXRYYLIQPHRCA-UHFFFAOYSA-N 0 2 417.494 3.562 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(-n4nc(C)cc4C)cc3)s[nH]2)c1 ZINC000476322907 996755785 /nfs/dbraw/zinc/75/57/85/996755785.db2.gz KUEQBBJSTOLYNT-UHFFFAOYSA-N 0 2 405.483 3.690 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2-c2nc(C3CC3)no2)cs1 ZINC000476396652 996850606 /nfs/dbraw/zinc/85/06/06/996850606.db2.gz IRPSYMGIZRIPDD-UHFFFAOYSA-N 0 2 419.484 3.571 20 0 HHADLN C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)cc1F ZINC000476406692 996865682 /nfs/dbraw/zinc/86/56/82/996865682.db2.gz ODQAYJBTBUJPCA-NSHDSACASA-N 0 2 423.466 3.713 20 0 HHADLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)ncn2)c1 ZINC000476450429 996923070 /nfs/dbraw/zinc/92/30/70/996923070.db2.gz DRLNPPSWVWVACR-UHFFFAOYSA-N 0 2 417.874 3.693 20 0 HHADLN CC(C)OCCS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1Cl ZINC000484616835 996950152 /nfs/dbraw/zinc/95/01/52/996950152.db2.gz NPTLNKNXCQPNLD-UHFFFAOYSA-N 0 2 414.886 3.898 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1cc(Cl)cc(Br)c1O ZINC000484664658 997003047 /nfs/dbraw/zinc/00/30/47/997003047.db2.gz RHFXSHDBMFGXJH-UHFFFAOYSA-N 0 2 406.685 3.755 20 0 HHADLN Cc1ccc2cccnc2c1S(=O)(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000476520244 997009040 /nfs/dbraw/zinc/00/90/40/997009040.db2.gz ZEZGDPLVLOXXFA-UHFFFAOYSA-N 0 2 417.918 3.834 20 0 HHADLN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476525557 997014397 /nfs/dbraw/zinc/01/43/97/997014397.db2.gz LYKSVAWRWUASMP-IRXDYDNUSA-N 0 2 407.561 3.889 20 0 HHADLN O=C(Nc1nc2ccsc2s1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476534166 997023971 /nfs/dbraw/zinc/02/39/71/997023971.db2.gz MTJCKXOMTMKUEO-UHFFFAOYSA-N 0 2 422.538 3.867 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCC2(CCCC2)CC1 ZINC000476556440 997049160 /nfs/dbraw/zinc/04/91/60/997049160.db2.gz UFBYDDKNZWAFEK-UHFFFAOYSA-N 0 2 405.545 3.740 20 0 HHADLN CCOc1cc(C(=O)N2CCC[C@@H]2CCc2ccccc2)ccc1OCC(=O)OC ZINC000484709964 997049207 /nfs/dbraw/zinc/04/92/07/997049207.db2.gz ROCRCHKJLSEHHJ-HXUWFJFHSA-N 0 2 411.498 3.875 20 0 HHADLN Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCCc3cn[nH]c32)c1 ZINC000484734400 997077360 /nfs/dbraw/zinc/07/73/60/997077360.db2.gz HJIGHZTYZUXADP-FQEVSTJZSA-N 0 2 424.526 3.635 20 0 HHADLN CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476697716 997237481 /nfs/dbraw/zinc/23/74/81/997237481.db2.gz VSXKPEFDLUCAPD-WMLDXEAASA-N 0 2 407.561 3.985 20 0 HHADLN CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476697705 997237580 /nfs/dbraw/zinc/23/75/80/997237580.db2.gz VSXKPEFDLUCAPD-PBHICJAKSA-N 0 2 407.561 3.985 20 0 HHADLN CC(C)C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476699326 997239983 /nfs/dbraw/zinc/23/99/83/997239983.db2.gz JXBHMPQQJRENNE-MRXNPFEDSA-N 0 2 407.561 3.985 20 0 HHADLN CC(C)C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000476701939 997243714 /nfs/dbraw/zinc/24/37/14/997243714.db2.gz NMUTYRMOFDFMKI-HNNXBMFYSA-N 0 2 407.561 3.842 20 0 HHADLN CC[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1nc(C)cs1 ZINC000476712092 997253588 /nfs/dbraw/zinc/25/35/88/997253588.db2.gz FEVLGUGKCRRWKH-AWEZNQCLSA-N 0 2 422.557 3.590 20 0 HHADLN Cc1cc(C)cc(N(C)C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000476724061 997271497 /nfs/dbraw/zinc/27/14/97/997271497.db2.gz XDXSOHWSALJEFD-UHFFFAOYSA-N 0 2 401.513 3.837 20 0 HHADLN CO[C@@H](C)c1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000476731846 997282655 /nfs/dbraw/zinc/28/26/55/997282655.db2.gz WPTHJSUDLZVDCR-ZDUSSCGKSA-N 0 2 417.512 3.904 20 0 HHADLN CC[C@H](C)[C@H](C)N(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC1 ZINC000476749521 997304387 /nfs/dbraw/zinc/30/43/87/997304387.db2.gz VASFDMPCWWXJLR-KBPBESRZSA-N 0 2 407.561 3.983 20 0 HHADLN C[C@H]1c2ccsc2CCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476782530 997339284 /nfs/dbraw/zinc/33/92/84/997339284.db2.gz WJBLPZQKDNXDOQ-LBPRGKRZSA-N 0 2 419.553 3.765 20 0 HHADLN Cc1cccc(CCNC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000485009993 997374689 /nfs/dbraw/zinc/37/46/89/997374689.db2.gz FDZXUWGPFZYZPC-UHFFFAOYSA-N 0 2 416.528 3.617 20 0 HHADLN O=S(=O)(Nc1ccnc(Sc2ccccn2)c1)c1cnn(Cc2ccccc2)c1 ZINC000485040280 997405631 /nfs/dbraw/zinc/40/56/31/997405631.db2.gz BKZUVFJPNPOMTB-UHFFFAOYSA-N 0 2 423.523 3.673 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C)nc1C ZINC000476916342 997525464 /nfs/dbraw/zinc/52/54/64/997525464.db2.gz WRJVORBMZKGKAW-UHFFFAOYSA-N 0 2 408.423 3.756 20 0 HHADLN CC1CCN(Cc2csc(NS(=O)(=O)c3ccc4ncccc4c3)n2)CC1 ZINC000476942138 997557483 /nfs/dbraw/zinc/55/74/83/997557483.db2.gz QRJLGJQETVOAJL-UHFFFAOYSA-N 0 2 402.545 3.724 20 0 HHADLN Cn1cc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c(-c2ccc(Cl)s2)n1 ZINC000476958561 997574228 /nfs/dbraw/zinc/57/42/28/997574228.db2.gz JGQJNMKAFJUVDN-UHFFFAOYSA-N 0 2 402.842 3.979 20 0 HHADLN CC[C@@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC1 ZINC000485369266 997794392 /nfs/dbraw/zinc/79/43/92/997794392.db2.gz CQGULNYCXLSTHJ-CQSZACIVSA-N 0 2 408.549 3.988 20 0 HHADLN C[C@H](c1ccco1)N(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485375909 997802100 /nfs/dbraw/zinc/80/21/00/997802100.db2.gz IYYQHBOBLNIADH-GFCCVEGCSA-N 0 2 406.489 3.762 20 0 HHADLN O=S(=O)(Nc1cccc(-c2cc[nH]n2)c1)c1cc(Br)c(F)cc1F ZINC000485375373 997802241 /nfs/dbraw/zinc/80/22/41/997802241.db2.gz HTMNALYBRCAGOP-UHFFFAOYSA-N 0 2 414.231 3.918 20 0 HHADLN CCSc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cn1 ZINC000485483973 997936482 /nfs/dbraw/zinc/93/64/82/997936482.db2.gz YVQNWPNPEVTMJJ-UHFFFAOYSA-N 0 2 420.541 3.703 20 0 HHADLN CCSc1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)ccn1 ZINC000485492381 997945126 /nfs/dbraw/zinc/94/51/26/997945126.db2.gz OQALAHDTQKDWGO-UHFFFAOYSA-N 0 2 420.541 3.703 20 0 HHADLN CCCCn1ccnc1-c1cccc(NS(=O)(=O)c2c(C)nn(CC)c2C)c1 ZINC000477375001 998062354 /nfs/dbraw/zinc/06/23/54/998062354.db2.gz OUYMHVFCPJOHDN-UHFFFAOYSA-N 0 2 401.536 3.984 20 0 HHADLN CCOc1cc(Br)ccc1NS(=O)(=O)c1cc(OC)ccc1OC ZINC000477445194 998146520 /nfs/dbraw/zinc/14/65/20/998146520.db2.gz GJZUFKVIQUPFGW-UHFFFAOYSA-N 0 2 416.293 3.666 20 0 HHADLN CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000485790285 998261353 /nfs/dbraw/zinc/26/13/53/998261353.db2.gz RDRAPTJXRDRASX-UHFFFAOYSA-N 0 2 419.460 3.812 20 0 HHADLN O=C(C1=NN(c2ccccc2)CC1=O)N1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000486086244 998533545 /nfs/dbraw/zinc/53/35/45/998533545.db2.gz KBPWWWPJPOQFJO-GOSISDBHSA-N 0 2 401.825 3.584 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000486088672 998535324 /nfs/dbraw/zinc/53/53/24/998535324.db2.gz CPVQXHIINMAYOI-OAHLLOKOSA-N 0 2 418.906 3.660 20 0 HHADLN CCCc1nc(C)c(NS(=O)(=O)c2cccc3c2ccnc3C(=O)OC)s1 ZINC000486128887 998577193 /nfs/dbraw/zinc/57/71/93/998577193.db2.gz XMBOQUBBQIRTCH-UHFFFAOYSA-N 0 2 405.501 3.540 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2ccnn2Cc2cccc3ccccc32)c1 ZINC000486513987 998801565 /nfs/dbraw/zinc/80/15/65/998801565.db2.gz NBBNCXDOXSKLMM-UHFFFAOYSA-N 0 2 423.494 3.903 20 0 HHADLN Cn1nc(-c2ccsc2)cc1NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000486546099 998818299 /nfs/dbraw/zinc/81/82/99/998818299.db2.gz CNGIMAICNCTLNS-UHFFFAOYSA-N 0 2 416.297 3.851 20 0 HHADLN Cn1nc(-c2ccsc2)cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000486546745 998818836 /nfs/dbraw/zinc/81/88/36/998818836.db2.gz FETRJCSTLDLHTM-UHFFFAOYSA-N 0 2 410.480 3.668 20 0 HHADLN CC1(C)CCc2nc(NS(=O)(=O)c3ccc(F)cc3C(F)(F)F)ncc2C1 ZINC000486552572 998822201 /nfs/dbraw/zinc/82/22/01/998822201.db2.gz WJTKEHDKZRVHAL-UHFFFAOYSA-N 0 2 403.401 3.950 20 0 HHADLN Cc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)s1 ZINC000486581393 998839593 /nfs/dbraw/zinc/83/95/93/998839593.db2.gz BEKTYFZUZBGEMT-UHFFFAOYSA-N 0 2 407.542 3.885 20 0 HHADLN CC(C)C1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 ZINC000478276792 998859404 /nfs/dbraw/zinc/85/94/04/998859404.db2.gz CQRISDQGLGTJSR-UHFFFAOYSA-N 0 2 407.561 3.889 20 0 HHADLN Cc1cc(C)n(Cc2cccc(C(=O)Nc3nc(-c4c(F)cccc4F)n[nH]3)c2)n1 ZINC000478311218 998879474 /nfs/dbraw/zinc/87/94/74/998879474.db2.gz HKUODKQEPBBJGR-UHFFFAOYSA-N 0 2 408.412 3.864 20 0 HHADLN CC(=O)CCc1ccc(O[C@H](C)C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1 ZINC000478325299 998889414 /nfs/dbraw/zinc/88/94/14/998889414.db2.gz KYHGJTPZZLEBFH-CYBMUJFWSA-N 0 2 414.412 3.678 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000486849320 998971909 /nfs/dbraw/zinc/97/19/09/998971909.db2.gz YYTIIJZOWGCIAM-UHFFFAOYSA-N 0 2 424.475 3.616 20 0 HHADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000478467788 998975789 /nfs/dbraw/zinc/97/57/89/998975789.db2.gz LURNTBZWOSGARP-SFHVURJKSA-N 0 2 401.825 3.584 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2cc(C3CCCCC3)nn2C)c1 ZINC000486900097 998997815 /nfs/dbraw/zinc/99/78/15/998997815.db2.gz YDIIAJULMUASCD-UHFFFAOYSA-N 0 2 409.483 3.584 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)c1Cl ZINC000478683480 999087207 /nfs/dbraw/zinc/08/72/07/999087207.db2.gz ZKGQFLDGZQJPCX-UHFFFAOYSA-N 0 2 417.314 3.989 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1OC ZINC000478693883 999092083 /nfs/dbraw/zinc/09/20/83/999092083.db2.gz JSUYCJSHIADQEJ-UHFFFAOYSA-N 0 2 408.234 3.729 20 0 HHADLN Cc1cn(-c2cccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)c2)c(=O)[nH]1 ZINC000478697012 999093888 /nfs/dbraw/zinc/09/38/88/999093888.db2.gz RDBDCSBJLLYEMG-UHFFFAOYSA-N 0 2 415.368 3.845 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc4sc(N(C)C)nc4s3)s[nH]2)c1 ZINC000478698728 999094536 /nfs/dbraw/zinc/09/45/36/999094536.db2.gz GVYLRDDGZOPVRY-UHFFFAOYSA-N 0 2 417.541 3.625 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NC[C@@H](c3ccccc3)C(F)(F)F)=N2)cc1 ZINC000487267202 999118183 /nfs/dbraw/zinc/11/81/83/999118183.db2.gz BBVGZHBSCDAAIS-INIZCTEOSA-N 0 2 405.376 3.662 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)c1 ZINC000487399860 999161299 /nfs/dbraw/zinc/16/12/99/999161299.db2.gz CAJYPAYTAWEYRT-UHFFFAOYSA-N 0 2 403.287 3.505 20 0 HHADLN COC[C@@H](C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C ZINC000487498788 999199239 /nfs/dbraw/zinc/19/92/39/999199239.db2.gz KMXBCLZLSDLGOI-HUUCEWRRSA-N 0 2 408.495 3.792 20 0 HHADLN Cc1cccc(F)c1S(=O)(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000479074068 999281289 /nfs/dbraw/zinc/28/12/89/999281289.db2.gz GDFYHHOLJHJZGO-UHFFFAOYSA-N 0 2 417.531 3.950 20 0 HHADLN CC1CCN(Cc2csc(NS(=O)(=O)c3ccc4ncsc4c3)n2)CC1 ZINC000479086025 999287050 /nfs/dbraw/zinc/28/70/50/999287050.db2.gz QKZOIBXAXVQIRJ-UHFFFAOYSA-N 0 2 408.574 3.786 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1OC ZINC000479254551 999349413 /nfs/dbraw/zinc/34/94/13/999349413.db2.gz DKZGEWVDWAZHNI-UHFFFAOYSA-N 0 2 413.499 3.876 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1OC ZINC000479264692 999354352 /nfs/dbraw/zinc/35/43/52/999354352.db2.gz WRRLGCVRZLQIKS-UHFFFAOYSA-N 0 2 417.462 3.707 20 0 HHADLN Cc1nc2ccccc2n1Cc1cc(NS(=O)(=O)c2ccnn2C)ccc1Cl ZINC000479310368 999378056 /nfs/dbraw/zinc/37/80/56/999378056.db2.gz QQEMYGCIUVZYHW-UHFFFAOYSA-N 0 2 415.906 3.581 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2ccc3ccn(Cc4cccc(OC)c4)c3c2)cn1 ZINC000479348775 999397225 /nfs/dbraw/zinc/39/72/25/999397225.db2.gz VELNHMPCCDKMAJ-UHFFFAOYSA-N 0 2 410.499 3.715 20 0 HHADLN Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000488303278 999431145 /nfs/dbraw/zinc/43/11/45/999431145.db2.gz VXRQRCVMBPSXSC-ZDUSSCGKSA-N 0 2 421.906 3.741 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1cccc(C[S@](=O)C(C)(C)C)c1 ZINC000479490377 999441330 /nfs/dbraw/zinc/44/13/30/999441330.db2.gz NEIKXCORDSYOJK-SANMLTNESA-N 0 2 411.545 3.552 20 0 HHADLN Cc1nc(-c2ccc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)cc2)cs1 ZINC000479490442 999441480 /nfs/dbraw/zinc/44/14/80/999441480.db2.gz OZXUMODTGDKPNG-UHFFFAOYSA-N 0 2 402.423 3.678 20 0 HHADLN COc1cc(NS(=O)(=O)c2c(C)cccc2F)ccc1NC(=O)c1cccnc1 ZINC000479493593 999443379 /nfs/dbraw/zinc/44/33/79/999443379.db2.gz YVEYIEDBVBRLHJ-UHFFFAOYSA-N 0 2 415.446 3.591 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(-n2ncc3ccccc32)cc1 ZINC000479507341 999450003 /nfs/dbraw/zinc/45/00/03/999450003.db2.gz BHVHGHXCDYURSW-UHFFFAOYSA-N 0 2 409.467 3.844 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000479525505 999460422 /nfs/dbraw/zinc/46/04/22/999460422.db2.gz KIOVSDQTQGVXGN-UHFFFAOYSA-N 0 2 412.231 3.619 20 0 HHADLN CC(C)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000488393373 999472515 /nfs/dbraw/zinc/47/25/15/999472515.db2.gz SJPNHAQJNUNXAO-HXUWFJFHSA-N 0 2 422.982 3.623 20 0 HHADLN O=S(=O)(CCOc1ccc(F)cc1)Nc1ccc(OC(F)F)c2cccnc12 ZINC000479559792 999477647 /nfs/dbraw/zinc/47/76/47/999477647.db2.gz RWTNLSVGMBEMJQ-UHFFFAOYSA-N 0 2 412.389 3.796 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccc(F)c(F)c1 ZINC000488412884 999480242 /nfs/dbraw/zinc/48/02/42/999480242.db2.gz DQVVFPGGXZYILK-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN Cc1csc(C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)c1Cl ZINC000479629467 999509130 /nfs/dbraw/zinc/50/91/30/999509130.db2.gz PIHGXUSYZXDKGG-UHFFFAOYSA-N 0 2 414.921 3.615 20 0 HHADLN COC[C@H](NC(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1)c1ccc(Cl)cc1 ZINC000488569444 999530989 /nfs/dbraw/zinc/53/09/89/999530989.db2.gz YZYSULKOPXWWFG-INIZCTEOSA-N 0 2 418.906 3.798 20 0 HHADLN Cn1nc(-c2ccncc2)cc1NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488585288 999536507 /nfs/dbraw/zinc/53/65/07/999536507.db2.gz VVGCWCJQJLWVOY-UHFFFAOYSA-N 0 2 416.812 3.955 20 0 HHADLN O=S(=O)(Nc1nc(C2CC2)cs1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000488598450 999541382 /nfs/dbraw/zinc/54/13/82/999541382.db2.gz RMKARUHONUECLJ-LLVKDONJSA-N 0 2 414.936 3.890 20 0 HHADLN COc1cc(Br)ccc1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000479763849 999579115 /nfs/dbraw/zinc/57/91/15/999579115.db2.gz KBWUZKUPEYYSKO-UHFFFAOYSA-N 0 2 409.190 3.773 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)c(Cl)c1Cl ZINC000479978324 999671592 /nfs/dbraw/zinc/67/15/92/999671592.db2.gz WKQBISTVQIBTIG-UHFFFAOYSA-N 0 2 422.237 3.759 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)cnn1-c1ccccn1 ZINC000479991807 999677221 /nfs/dbraw/zinc/67/72/21/999677221.db2.gz TVIPDUYJCYAGOR-UHFFFAOYSA-N 0 2 405.892 3.640 20 0 HHADLN CCOC(=O)c1cccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC000480007665 999684162 /nfs/dbraw/zinc/68/41/62/999684162.db2.gz UIPNMICJBAHYJI-UHFFFAOYSA-N 0 2 423.903 3.836 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000480180003 999737961 /nfs/dbraw/zinc/73/79/61/999737961.db2.gz OZRPGOQTXBEQRC-BBRMVZONSA-N 0 2 418.881 3.759 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cnn1-c1cccc(C)c1 ZINC000480204525 999744501 /nfs/dbraw/zinc/74/45/01/999744501.db2.gz YMXLBGDKCFGDDX-UHFFFAOYSA-N 0 2 412.515 3.811 20 0 HHADLN Cn1c2ccc(S(=O)(=O)Nc3nc4c(s3)C[C@@H](C(C)(C)C)CC4)cc2oc1=O ZINC000480207878 999745736 /nfs/dbraw/zinc/74/57/36/999745736.db2.gz URTMDHOUTCMFGX-NSHDSACASA-N 0 2 421.544 3.540 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cnn1-c1ccccc1Cl ZINC000480220045 999748707 /nfs/dbraw/zinc/74/87/07/999748707.db2.gz FOHBRILPPBHEOC-UHFFFAOYSA-N 0 2 418.862 3.736 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2c(OC)cc(OC)cc2OC)c1C(C)C ZINC000480221499 999748938 /nfs/dbraw/zinc/74/89/38/999748938.db2.gz FTJMZQXDLCLBHZ-UHFFFAOYSA-N 0 2 411.524 3.633 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)c(F)c1 ZINC000480227014 999750352 /nfs/dbraw/zinc/75/03/52/999750352.db2.gz MHMZJNLPTJNVGL-UHFFFAOYSA-N 0 2 403.435 3.871 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)Cc2cccs2)c(F)c1 ZINC000480238895 999753591 /nfs/dbraw/zinc/75/35/91/999753591.db2.gz FZINHDOGRXRROE-UHFFFAOYSA-N 0 2 420.487 3.878 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1C(C)C ZINC000480242284 999754349 /nfs/dbraw/zinc/75/43/49/999754349.db2.gz AUKXFAUZQWCOLJ-OAHLLOKOSA-N 0 2 418.563 3.905 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c1C ZINC000480243185 999754797 /nfs/dbraw/zinc/75/47/97/999754797.db2.gz DLCCJMXJFPQQEV-ZFWWWQNUSA-N 0 2 411.499 3.518 20 0 HHADLN COC(=O)c1c(C)[nH]c(C(O)=CS(=O)(=O)Cc2c(C)c(C)c(C)c(C)c2C)c1C ZINC000480344068 999776141 /nfs/dbraw/zinc/77/61/41/999776141.db2.gz VVBOVKJYUMXVSL-UHFFFAOYSA-N 0 2 419.543 3.758 20 0 HHADLN CN(C(=O)C1=NN(c2ccccc2)CC1=O)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000480426396 999796099 /nfs/dbraw/zinc/79/60/99/999796099.db2.gz NDZWJHYTQGNZEJ-QFBILLFUSA-N 0 2 418.280 3.615 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cc3sc(C)nc3cc2OC)c1C ZINC000489717038 999823674 /nfs/dbraw/zinc/82/36/74/999823674.db2.gz OHCLYDSNDZSYSK-UHFFFAOYSA-N 0 2 423.516 3.536 20 0 HHADLN CC(F)(F)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)cc1 ZINC000491644074 1000091269 /nfs/dbraw/zinc/09/12/69/1000091269.db2.gz CIYXGXHAWJGIDD-UHFFFAOYSA-N 0 2 424.454 3.703 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)c1 ZINC000492144401 1000111558 /nfs/dbraw/zinc/11/15/58/1000111558.db2.gz PUBUMSWVHUEFCG-GFCCVEGCSA-N 0 2 415.968 3.838 20 0 HHADLN Cc1cnc2c(cccc2S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)c1 ZINC000492156320 1000112255 /nfs/dbraw/zinc/11/22/55/1000112255.db2.gz ITRHKQWKQXXCOU-UHFFFAOYSA-N 0 2 422.514 3.617 20 0 HHADLN CN(C)c1cccc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)c1 ZINC000493211780 1000163277 /nfs/dbraw/zinc/16/32/77/1000163277.db2.gz SAPNFZLNOPWZQR-UHFFFAOYSA-N 0 2 408.886 3.591 20 0 HHADLN O=S(=O)(Nc1nnc(C(F)F)s1)c1c(Cl)cc(F)cc1Br ZINC000504537115 1000256491 /nfs/dbraw/zinc/25/64/91/1000256491.db2.gz ZDBRMLQCPRTNAE-UHFFFAOYSA-N 0 2 422.635 3.832 20 0 HHADLN CCCn1nccc1C1CCN(C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)CC1 ZINC000505162119 1000587281 /nfs/dbraw/zinc/58/72/81/1000587281.db2.gz KAOLRIYIIZBGCI-UHFFFAOYSA-N 0 2 411.481 3.652 20 0 HHADLN CC(C)Cc1cc(NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)n[nH]1 ZINC000494762888 1000640386 /nfs/dbraw/zinc/64/03/86/1000640386.db2.gz MJEKWHAMQMYZNJ-UHFFFAOYSA-N 0 2 420.520 3.510 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000505293042 1000677423 /nfs/dbraw/zinc/67/74/23/1000677423.db2.gz CXCUUTXTYOZSBP-UHFFFAOYSA-N 0 2 424.404 3.650 20 0 HHADLN CCc1ccc([C@H]2CN(C(=O)c3nn(-c4ccc(Cl)cc4)cc3[O-])CC[NH2+]2)cc1 ZINC000505563992 1000906714 /nfs/dbraw/zinc/90/67/14/1000906714.db2.gz BXLIPEBQYMEYNB-LJQANCHMSA-N 0 2 410.905 3.580 20 0 HHADLN CC(C)(C)C(=O)NCC(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000505736213 1000999473 /nfs/dbraw/zinc/99/94/73/1000999473.db2.gz NHMQGNXHIAFXDP-UHFFFAOYSA-N 0 2 410.499 3.520 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N(C)Cc2ccncc2)cc1 ZINC000495965087 1001103434 /nfs/dbraw/zinc/10/34/34/1001103434.db2.gz IFDAAPVQRIQRAO-UHFFFAOYSA-N 0 2 401.513 3.525 20 0 HHADLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000497116161 1001272056 /nfs/dbraw/zinc/27/20/56/1001272056.db2.gz QBZHQSLBIYQYOC-UHFFFAOYSA-N 0 2 400.320 3.851 20 0 HHADLN CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2csc3ccccc32)cc1 ZINC000506585862 1001464789 /nfs/dbraw/zinc/46/47/89/1001464789.db2.gz VGALVYSXKGTZFX-UHFFFAOYSA-N 0 2 424.569 3.733 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2OCC(F)(F)F)c1 ZINC000506649199 1001482663 /nfs/dbraw/zinc/48/26/63/1001482663.db2.gz RHKHGHIUUQKVIR-UHFFFAOYSA-N 0 2 423.384 3.723 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cc2n[nH]cc2cc1C ZINC000506664467 1001487323 /nfs/dbraw/zinc/48/73/23/1001487323.db2.gz WPVMHMHWALSRAC-UHFFFAOYSA-N 0 2 414.270 3.766 20 0 HHADLN CC(C)(C)c1cc(CS(=O)(=O)Nc2ccccc2OC[C@@H]2CCCCO2)no1 ZINC000506722642 1001505364 /nfs/dbraw/zinc/50/53/64/1001505364.db2.gz YPQRBFPKRACMIF-INIZCTEOSA-N 0 2 408.520 3.862 20 0 HHADLN Cc1cnn(C)c1S(=O)(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000506823079 1001550236 /nfs/dbraw/zinc/55/02/36/1001550236.db2.gz SBOSXHHSCZKGAZ-UHFFFAOYSA-N 0 2 417.343 3.883 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)c1 ZINC000506848683 1001563482 /nfs/dbraw/zinc/56/34/82/1001563482.db2.gz LDWUFWGPXHDDCN-UHFFFAOYSA-N 0 2 400.428 3.530 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(ccc4c3CCCC4)s2)s1 ZINC000507306865 1001986730 /nfs/dbraw/zinc/98/67/30/1001986730.db2.gz VWJHNXXUBPNIHG-UHFFFAOYSA-N 0 2 408.526 3.824 20 0 HHADLN C[C@H]1C[C@@]1(NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc(Cl)cc1 ZINC000507363228 1002024309 /nfs/dbraw/zinc/02/43/09/1002024309.db2.gz SKPFGKHRNYTRBK-QKKBWIMNSA-N 0 2 411.893 3.772 20 0 HHADLN CC(=O)c1cc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)ccc1F ZINC000507612876 1002218450 /nfs/dbraw/zinc/21/84/50/1002218450.db2.gz KILUDIKKROAPQR-UHFFFAOYSA-N 0 2 407.854 3.977 20 0 HHADLN O=S(=O)(Nc1cc(F)c(Br)c(Cl)c1)c1cnn(CC(F)F)c1 ZINC000507645091 1002245391 /nfs/dbraw/zinc/24/53/91/1002245391.db2.gz PAICPNRTXYKMES-UHFFFAOYSA-N 0 2 418.622 3.504 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000498882652 1002270265 /nfs/dbraw/zinc/27/02/65/1002270265.db2.gz YBXZLTIFJJKYMV-UHFFFAOYSA-N 0 2 418.310 3.990 20 0 HHADLN O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)Nc1ccc2nn[nH]c2c1 ZINC000508015432 1002540607 /nfs/dbraw/zinc/54/06/07/1002540607.db2.gz JQPSNAHKWOSMLD-UHFFFAOYSA-N 0 2 402.439 3.892 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cc(N(C)C)ccc2Br)c2n[nH]cc21 ZINC000499170715 1002557533 /nfs/dbraw/zinc/55/75/33/1002557533.db2.gz AYMBCEOYESDPNL-UHFFFAOYSA-N 0 2 409.309 3.501 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cc(Br)ccc3C)cnc2c1Cl ZINC000499170789 1002558085 /nfs/dbraw/zinc/55/80/85/1002558085.db2.gz AXRXFOCBPNZWRT-UHFFFAOYSA-N 0 2 415.700 3.563 20 0 HHADLN CCCn1ccc2cc(NS(=O)(=O)c3cnc4c(Cl)c(C)nn4c3)ccc21 ZINC000499173817 1002561568 /nfs/dbraw/zinc/56/15/68/1002561568.db2.gz WPGURSILXSXYSR-UHFFFAOYSA-N 0 2 403.895 3.857 20 0 HHADLN Cc1cccc(F)c1S(=O)(=O)Nc1nnc(-c2cccc(Br)c2)o1 ZINC000508066698 1002587796 /nfs/dbraw/zinc/58/77/96/1002587796.db2.gz DVCHVHCPTYHOOJ-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(-c3ccc(F)cc3)nc(C)n2)cc1 ZINC000508069594 1002591934 /nfs/dbraw/zinc/59/19/34/1002591934.db2.gz RTGOGGGILACNAU-UHFFFAOYSA-N 0 2 414.462 3.740 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CSCC3)cc1Br ZINC000508071373 1002593385 /nfs/dbraw/zinc/59/33/85/1002593385.db2.gz ADIXYTBAKXTCDK-UHFFFAOYSA-N 0 2 405.364 3.804 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)F)c2)o1)c1cc(F)ccc1Cl ZINC000508082978 1002604951 /nfs/dbraw/zinc/60/49/51/1002604951.db2.gz JCBFZKGPPVEVKU-UHFFFAOYSA-N 0 2 419.768 3.931 20 0 HHADLN C[C@H]1Cc2cc(S(=O)(=O)Nc3ncc(-c4cccnc4)s3)cc(Cl)c2O1 ZINC000508088661 1002611089 /nfs/dbraw/zinc/61/10/89/1002611089.db2.gz KNSWFLUFTFGMMZ-JTQLQIEISA-N 0 2 407.904 3.983 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)F)c2)o1)c1ccc2ncsc2c1 ZINC000508094534 1002618356 /nfs/dbraw/zinc/61/83/56/1002618356.db2.gz LOHHTALLTNSARB-UHFFFAOYSA-N 0 2 424.410 3.749 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ncc(-c3cccnc3)s2)cc1Cl ZINC000508095785 1002620461 /nfs/dbraw/zinc/62/04/61/1002620461.db2.gz LGENXJQGMPRSHK-UHFFFAOYSA-N 0 2 408.892 3.618 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(-c3cccc(OC(F)F)c3)o2)cc1 ZINC000508098204 1002622580 /nfs/dbraw/zinc/62/25/80/1002622580.db2.gz WDAZSVWMNUJASC-UHFFFAOYSA-N 0 2 411.386 3.538 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)F)c2)o1)c1ccc2ncccc2c1 ZINC000508130205 1002661680 /nfs/dbraw/zinc/66/16/80/1002661680.db2.gz FTSLTDCYMASCPL-UHFFFAOYSA-N 0 2 418.381 3.687 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)F)c2)o1)c1ccc(Cl)s1 ZINC000508140965 1002674383 /nfs/dbraw/zinc/67/43/83/1002674383.db2.gz CIDPYPUXHSXUIP-UHFFFAOYSA-N 0 2 407.807 3.854 20 0 HHADLN CCn1c(=O)oc2cc(S(=O)(=O)Nc3nc4c(s3)c(Cl)ccc4C)ccc21 ZINC000508144519 1002679275 /nfs/dbraw/zinc/67/92/75/1002679275.db2.gz RFZMPCBLTFAUEY-UHFFFAOYSA-N 0 2 423.903 3.987 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cccc(Oc4ccccn4)c3)cnc2c1Cl ZINC000499281735 1002692055 /nfs/dbraw/zinc/69/20/55/1002692055.db2.gz GOAJJESEAZVBBG-UHFFFAOYSA-N 0 2 415.862 3.679 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cccc(Br)c3C)cnc2c1Cl ZINC000499288351 1002699514 /nfs/dbraw/zinc/69/95/14/1002699514.db2.gz BLBQXQGMVSHPEL-UHFFFAOYSA-N 0 2 415.700 3.563 20 0 HHADLN Cc1cc(Cl)cc(NS(=O)(=O)c2cc(N(C)C)ccc2Br)c1O ZINC000499289331 1002700208 /nfs/dbraw/zinc/70/02/08/1002700208.db2.gz YKCQEFWMOPOMKF-UHFFFAOYSA-N 0 2 419.728 3.983 20 0 HHADLN O=S(=O)(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccoc1 ZINC000508193937 1002728798 /nfs/dbraw/zinc/72/87/98/1002728798.db2.gz WAZWUGATGSSXKL-UHFFFAOYSA-N 0 2 412.876 3.535 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(C(F)(F)F)cc1F ZINC000508215567 1002746674 /nfs/dbraw/zinc/74/66/74/1002746674.db2.gz PNRBOCFSEQBQPE-UHFFFAOYSA-N 0 2 405.304 3.834 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2cnc3ccsc3c2)c1OC(C)C ZINC000499493532 1002881533 /nfs/dbraw/zinc/88/15/33/1002881533.db2.gz IEXRSWBPKVDBAE-UHFFFAOYSA-N 0 2 406.485 3.671 20 0 HHADLN Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499669039 1003025730 /nfs/dbraw/zinc/02/57/30/1003025730.db2.gz MGZPMURXDVAUAF-SFHVURJKSA-N 0 2 405.433 3.581 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NC[C@@H]3CCCO[C@@H]3c3ccc(C)cc3)=N2)cc1 ZINC000499815723 1003151019 /nfs/dbraw/zinc/15/10/19/1003151019.db2.gz LMFZORQQDXXJBS-FDDCHVKYSA-N 0 2 421.497 3.793 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC[C@@H]3CC(=O)c3cccs3)=N2)cc1 ZINC000499841242 1003178193 /nfs/dbraw/zinc/17/81/93/1003178193.db2.gz TYKMVDPPZAAKNS-OAHLLOKOSA-N 0 2 411.483 3.526 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC(Cc4ccccc4OC)CC3)=N2)cc1 ZINC000499846417 1003182049 /nfs/dbraw/zinc/18/20/49/1003182049.db2.gz PREFOUPLLJRCPZ-UHFFFAOYSA-N 0 2 421.497 3.690 20 0 HHADLN COC(=O)Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)cc1 ZINC000509070184 1003530918 /nfs/dbraw/zinc/53/09/18/1003530918.db2.gz VEWPSMQXFQBTGC-UHFFFAOYSA-N 0 2 418.696 3.619 20 0 HHADLN O=C(C[C@H]1C=CCC1)Nc1ccccc1NS(=O)(=O)c1cccc2c1OCO2 ZINC000509073444 1003533894 /nfs/dbraw/zinc/53/38/94/1003533894.db2.gz BIANHBRXSKKSTE-AWEZNQCLSA-N 0 2 400.456 3.511 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cccc(SC)c2)c(OC(F)F)c1 ZINC000509075182 1003535535 /nfs/dbraw/zinc/53/55/35/1003535535.db2.gz OVDDSCKCBDROEQ-UHFFFAOYSA-N 0 2 403.428 3.597 20 0 HHADLN O=S(=O)(C[C@H]1CCCC(F)(F)C1)c1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000509141206 1003581688 /nfs/dbraw/zinc/58/16/88/1003581688.db2.gz ULYMEZHBIPALEF-NSHDSACASA-N 0 2 405.854 3.636 20 0 HHADLN CC(=O)Nc1cccc(NS(=O)(=O)c2cc(Br)ccc2F)c1C ZINC000500307951 1003613464 /nfs/dbraw/zinc/61/34/64/1003613464.db2.gz VKRCTHBGZOKNMP-UHFFFAOYSA-N 0 2 401.257 3.656 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2F)s1)c1cnc2ccccc2c1 ZINC000509207125 1003624398 /nfs/dbraw/zinc/62/43/98/1003624398.db2.gz ARRKZHRJKSSBQE-UHFFFAOYSA-N 0 2 400.460 3.617 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc(NC(=O)c2ccccc2)nc1 ZINC000509220833 1003634356 /nfs/dbraw/zinc/63/43/56/1003634356.db2.gz RSQQPNWXZHAWOU-UHFFFAOYSA-N 0 2 411.483 3.760 20 0 HHADLN C[C@H](NS(=O)(=O)c1c(F)c(F)cc(F)c1F)c1cnn(Cc2ccccc2)c1 ZINC000509227362 1003638791 /nfs/dbraw/zinc/63/87/91/1003638791.db2.gz ZDAQLADODXOFTK-NSHDSACASA-N 0 2 413.396 3.527 20 0 HHADLN O=S(=O)(Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1cccc2c1OCO2 ZINC000509253136 1003656468 /nfs/dbraw/zinc/65/64/68/1003656468.db2.gz FLMVWQRMJYEPPS-CQSZACIVSA-N 0 2 415.496 3.536 20 0 HHADLN O=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1cc(Br)ccc1F ZINC000500363469 1003660997 /nfs/dbraw/zinc/66/09/97/1003660997.db2.gz RHYVKOHGRJCUHO-UHFFFAOYSA-N 0 2 424.251 3.971 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2Br)nc2c1CCCC2 ZINC000500473710 1003736677 /nfs/dbraw/zinc/73/66/77/1003736677.db2.gz XZEKLBWFZSGXGU-UHFFFAOYSA-N 0 2 416.728 3.881 20 0 HHADLN COc1cncc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 ZINC000500484040 1003741724 /nfs/dbraw/zinc/74/17/24/1003741724.db2.gz OAKDQFYLIRADLX-UHFFFAOYSA-N 0 2 401.410 3.510 20 0 HHADLN CC(C)Cc1nnc(NS(=O)(=O)c2ccc(Cl)cc2Br)s1 ZINC000500488218 1003743445 /nfs/dbraw/zinc/74/34/45/1003743445.db2.gz XNTKGLBBVPHHOV-UHFFFAOYSA-N 0 2 410.746 3.953 20 0 HHADLN COc1cncc(S(=O)(=O)Nc2nc(C)c(Cc3ccccc3Cl)s2)c1 ZINC000500501992 1003749984 /nfs/dbraw/zinc/74/99/84/1003749984.db2.gz WJLXDEKTYAEGTC-UHFFFAOYSA-N 0 2 409.920 3.900 20 0 HHADLN Cc1ncc(NS(=O)(=O)c2cc(F)c(Br)cc2F)c(C2CC2)n1 ZINC000500544043 1003772574 /nfs/dbraw/zinc/77/25/74/1003772574.db2.gz GWORRPQWXFTKDW-UHFFFAOYSA-N 0 2 404.236 3.504 20 0 HHADLN Cc1ncc(NS(=O)(=O)c2ccc(Cl)cc2Br)c(C2CC2)n1 ZINC000500557230 1003781549 /nfs/dbraw/zinc/78/15/49/1003781549.db2.gz INPJPZHFQLGIBC-UHFFFAOYSA-N 0 2 402.701 3.879 20 0 HHADLN CCc1oncc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000509390365 1003819087 /nfs/dbraw/zinc/81/90/87/1003819087.db2.gz HTFDJSMJTDTRQM-ZDUSSCGKSA-N 0 2 400.884 3.639 20 0 HHADLN O=S(=O)(Nc1ccc(Oc2cccc(F)c2F)nc1)c1cccc2c1OCO2 ZINC000509395451 1003825787 /nfs/dbraw/zinc/82/57/87/1003825787.db2.gz BIUSDSOQFWQEJC-UHFFFAOYSA-N 0 2 406.366 3.682 20 0 HHADLN CC(C)c1nc(-c2ccccc2NS(=O)(=O)c2ccccc2OC(F)F)n[nH]1 ZINC000509553601 1003941493 /nfs/dbraw/zinc/94/14/93/1003941493.db2.gz DVLVXYWPOWNTNN-UHFFFAOYSA-N 0 2 408.430 3.997 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000509573735 1003954274 /nfs/dbraw/zinc/95/42/74/1003954274.db2.gz YFQAPAOONXUOLM-UHFFFAOYSA-N 0 2 408.259 3.799 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3nc4c(ccc(F)c4F)s3)cc2C[C@@H]1C ZINC000500865781 1004012812 /nfs/dbraw/zinc/01/28/12/1004012812.db2.gz JKRGQLJLVLXHGL-VIFPVBQESA-N 0 2 423.466 3.673 20 0 HHADLN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000500921554 1004053214 /nfs/dbraw/zinc/05/32/14/1004053214.db2.gz FSOZZOPTORSYKX-MRXNPFEDSA-N 0 2 415.856 3.657 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccc(Cl)c2)ns1)c1cnc2ccsc2c1 ZINC000512361579 1004247213 /nfs/dbraw/zinc/24/72/13/1004247213.db2.gz CJFCCVANNKUEFN-UHFFFAOYSA-N 0 2 408.917 3.691 20 0 HHADLN O=S(=O)(CCc1cccc(Cl)c1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000510049478 1004290078 /nfs/dbraw/zinc/29/00/78/1004290078.db2.gz LAMXEJWDUMMJDY-GOSISDBHSA-N 0 2 416.934 3.835 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cc2c(cc1C)OCO2 ZINC000510118969 1004336881 /nfs/dbraw/zinc/33/68/81/1004336881.db2.gz NFCHDUYZUGLLDM-UHFFFAOYSA-N 0 2 405.453 3.526 20 0 HHADLN CCOC(=O)C1CCC(N(CC)C(=O)N=c2nc(-c3ccccc3)[nH]s2)CC1 ZINC000510177459 1004377357 /nfs/dbraw/zinc/37/73/57/1004377357.db2.gz POHBPQZKZLZLSY-UHFFFAOYSA-N 0 2 402.520 3.603 20 0 HHADLN O=S(=O)(Nc1nccs1)c1cccc(NCc2nc(-c3ccccc3)c[nH]2)c1 ZINC000512664185 1004475575 /nfs/dbraw/zinc/47/55/75/1004475575.db2.gz XONNDABPMVJJHI-UHFFFAOYSA-N 0 2 411.512 3.946 20 0 HHADLN Cn1c(=O)oc2c1cccc2NS(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000512766721 1004547270 /nfs/dbraw/zinc/54/72/70/1004547270.db2.gz LIVOAHQAZDQUQS-UHFFFAOYSA-N 0 2 406.769 3.605 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)c1ccc(=O)[nH]c1 ZINC000512797092 1004563868 /nfs/dbraw/zinc/56/38/68/1004563868.db2.gz JCZMQKTUAWWYKL-UHFFFAOYSA-N 0 2 421.837 3.633 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1nc[nH]n1)c1cc(C(F)(F)F)ccc1Cl ZINC000513315403 1004908594 /nfs/dbraw/zinc/90/85/94/1004908594.db2.gz VVRUTVKVYATZGV-UHFFFAOYSA-N 0 2 402.785 3.945 20 0 HHADLN O=S(=O)(Nc1cc(Br)cnc1OCC(F)(F)F)c1ccccc1 ZINC000513408879 1004950289 /nfs/dbraw/zinc/95/02/89/1004950289.db2.gz QJWDPZWTFFIOKX-UHFFFAOYSA-N 0 2 411.199 3.586 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c1F ZINC000513446148 1004970016 /nfs/dbraw/zinc/97/00/16/1004970016.db2.gz CDIZAVIKFCSWTG-UHFFFAOYSA-N 0 2 411.458 3.533 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2ccc3nc(C)sc3c2)c1 ZINC000502438035 1005076254 /nfs/dbraw/zinc/07/62/54/1005076254.db2.gz CSHSIXSTHQELSE-UHFFFAOYSA-N 0 2 424.475 3.730 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3C[C@H](C)C[C@H](C)C3)cc2)nc(C)n1 ZINC000502520006 1005099725 /nfs/dbraw/zinc/09/97/25/1005099725.db2.gz PCQPRROWTUQNIE-HALDLXJZSA-N 0 2 416.547 3.905 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(Cl)cc2O)cc1Br ZINC000513817934 1005142738 /nfs/dbraw/zinc/14/27/38/1005142738.db2.gz SDGFSEQBOFIPKQ-UHFFFAOYSA-N 0 2 422.684 3.626 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1nc(C2CC2)n(-c2ccccc2Cl)n1 ZINC000502724633 1005192162 /nfs/dbraw/zinc/19/21/62/1005192162.db2.gz RBRZPFIKAWLIBM-UHFFFAOYSA-N 0 2 422.901 3.991 20 0 HHADLN CCCCCN1CC(=O)N[C@H]1c1cc(Br)c(O)c(Br)c1 ZINC000502754348 1005202090 /nfs/dbraw/zinc/20/20/90/1005202090.db2.gz ZIYAEOMCHOWDMV-CQSZACIVSA-N 0 2 406.118 3.538 20 0 HHADLN O=S(=O)(Nc1cnc(-c2cccc(O)c2)nc1)c1cc(C(F)(F)F)ccc1F ZINC000502757237 1005203611 /nfs/dbraw/zinc/20/36/11/1005203611.db2.gz VVIIACCVIDHSBU-UHFFFAOYSA-N 0 2 413.352 3.808 20 0 HHADLN O=S(=O)(Nc1cnc(-c2cccc(O)c2)nc1)c1ccc(F)cc1Br ZINC000502762350 1005206048 /nfs/dbraw/zinc/20/60/48/1005206048.db2.gz HFOMQOKCZJVXOL-UHFFFAOYSA-N 0 2 424.251 3.552 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000502830274 1005235934 /nfs/dbraw/zinc/23/59/34/1005235934.db2.gz SQBMLLCXNZIXIG-CQSZACIVSA-N 0 2 400.891 3.966 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000502830273 1005235985 /nfs/dbraw/zinc/23/59/85/1005235985.db2.gz SQBMLLCXNZIXIG-AWEZNQCLSA-N 0 2 400.891 3.966 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000514047688 1005242788 /nfs/dbraw/zinc/24/27/88/1005242788.db2.gz MJDUACOYENOGMY-UHFFFAOYSA-N 0 2 424.451 3.523 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccc(F)cc1Cl ZINC000502856322 1005246005 /nfs/dbraw/zinc/24/60/05/1005246005.db2.gz AZGWFJGEWVSUMV-CYBMUJFWSA-N 0 2 403.834 3.977 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@H]1CCCC(F)(F)C1 ZINC000502989262 1005305872 /nfs/dbraw/zinc/30/58/72/1005305872.db2.gz GYQTVJCWSLNVGO-LLVKDONJSA-N 0 2 401.460 3.708 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c1 ZINC000503246726 1005376201 /nfs/dbraw/zinc/37/62/01/1005376201.db2.gz OUYXEWRKCWBCPB-MRXNPFEDSA-N 0 2 402.907 3.959 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N[C@H](CC2CCCC2)c2ccccc2)s[nH]1 ZINC000503655991 1005474838 /nfs/dbraw/zinc/47/48/38/1005474838.db2.gz YANWPMQWGKRCPJ-MRXNPFEDSA-N 0 2 400.548 3.634 20 0 HHADLN O=C(CCc1cccc(F)c1F)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000504335586 1005600310 /nfs/dbraw/zinc/60/03/10/1005600310.db2.gz GZYNVDGHAAGAHK-UHFFFAOYSA-N 0 2 423.466 3.793 20 0 HHADLN Cn1nc(-c2ccncc2)cc1NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000531117606 1006003726 /nfs/dbraw/zinc/00/37/26/1006003726.db2.gz OIWXSCOEZSAVMF-UHFFFAOYSA-N 0 2 402.479 3.854 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC(Oc3ccc(OC)cc3)CC2)=N1 ZINC000531225588 1006057720 /nfs/dbraw/zinc/05/77/20/1006057720.db2.gz NBUTUCOBGUXHLV-UHFFFAOYSA-N 0 2 421.497 3.833 20 0 HHADLN O=C1CCCc2ccc(S(=O)(=O)Nc3c(-c4ccccn4)nc4ccccn43)cc21 ZINC000514639028 1006066606 /nfs/dbraw/zinc/06/66/06/1006066606.db2.gz RWKMYPPHVZMQJC-UHFFFAOYSA-N 0 2 418.478 3.716 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3sccc3Cl)cc2)nc(C)n1 ZINC000514753023 1006103939 /nfs/dbraw/zinc/10/39/39/1006103939.db2.gz UZCIGLSTHGWUNH-UHFFFAOYSA-N 0 2 422.919 3.861 20 0 HHADLN CC(C)[C@H](NC(=O)N=c1nc(-c2ccccc2)[nH]s1)c1nc(-c2cccnc2)no1 ZINC000531341610 1006134353 /nfs/dbraw/zinc/13/43/53/1006134353.db2.gz JSGBRDOWGIAAML-HNNXBMFYSA-N 0 2 421.486 3.591 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)c1C1CC1 ZINC000534236173 1006240284 /nfs/dbraw/zinc/24/02/84/1006240284.db2.gz VPKXXWIYLPTULT-LBPRGKRZSA-N 0 2 402.520 3.762 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(OC(F)(F)F)cc1Br ZINC000534243199 1006250126 /nfs/dbraw/zinc/25/01/26/1006250126.db2.gz WLKKBQKBSNZCGN-UHFFFAOYSA-N 0 2 403.201 3.605 20 0 HHADLN CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccnn3-c3ccc(Cl)cc3)cc21 ZINC000531603695 1006300536 /nfs/dbraw/zinc/30/05/36/1006300536.db2.gz NHSDUHMDLAJALI-UHFFFAOYSA-N 0 2 416.890 3.556 20 0 HHADLN CCCCN1C(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4Cl)n[nH]3)cc2C1=O ZINC000515243925 1006355846 /nfs/dbraw/zinc/35/58/46/1006355846.db2.gz OFBJQZQUGMFAKU-UHFFFAOYSA-N 0 2 423.860 3.774 20 0 HHADLN CC(=O)c1cccc(S(=O)(=O)Nc2cnn(-c3ccccc3Br)c2)c1 ZINC000534401955 1006377562 /nfs/dbraw/zinc/37/75/62/1006377562.db2.gz BSIYRBWYWNLSGP-UHFFFAOYSA-N 0 2 420.288 3.638 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(Cc3ccc(C)cc3)s2)c(C)c1 ZINC000531857327 1006478603 /nfs/dbraw/zinc/47/86/03/1006478603.db2.gz ZFLVPZBXNDKXMU-UHFFFAOYSA-N 0 2 403.529 3.864 20 0 HHADLN O=S(=O)(Nc1noc(-c2ccc(Cl)cc2)n1)c1ccccc1Br ZINC000515566833 1006540669 /nfs/dbraw/zinc/54/06/69/1006540669.db2.gz BEQKRPUNISQWFZ-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN Cc1c([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000531965624 1006550379 /nfs/dbraw/zinc/55/03/79/1006550379.db2.gz HUERDSPIWXEZQI-DFBJGRDBSA-N 0 2 421.564 3.959 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(OC)c3)s2)cc1C ZINC000532114217 1006647992 /nfs/dbraw/zinc/64/79/92/1006647992.db2.gz AHNVUSHDRAEJDE-UHFFFAOYSA-N 0 2 419.528 3.645 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)c1ccccc1F ZINC000534672613 1006649761 /nfs/dbraw/zinc/64/97/61/1006649761.db2.gz HOXAMNZLGVOKFU-UHFFFAOYSA-N 0 2 415.368 3.770 20 0 HHADLN Cc1ccc(-c2noc([C@H](C)S(=O)(=O)c3n[nH]c(-c4ccccc4)n3)n2)cc1F ZINC000515766229 1006656626 /nfs/dbraw/zinc/65/66/26/1006656626.db2.gz JBVMWAICGNNNEX-LBPRGKRZSA-N 0 2 413.434 3.504 20 0 HHADLN CCCc1cnc(NS(=O)(=O)c2cc(OC)c(OC)cc2Br)s1 ZINC000538452742 1006721857 /nfs/dbraw/zinc/72/18/57/1006721857.db2.gz YPGVHXAVTUJSJQ-UHFFFAOYSA-N 0 2 421.338 3.676 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000534774423 1006773067 /nfs/dbraw/zinc/77/30/67/1006773067.db2.gz SDTAJLUANWAXIC-MRXNPFEDSA-N 0 2 400.891 3.966 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3nc(C)c(C(F)(F)F)s3)cc2C[C@@H]1C ZINC000516238266 1006967056 /nfs/dbraw/zinc/96/70/56/1006967056.db2.gz KJVFJHQFGCRLAX-QMMMGPOBSA-N 0 2 419.450 3.569 20 0 HHADLN CC(C)c1nnc2ccc(NS(=O)(=O)c3c(F)cccc3OC(F)(F)F)cn21 ZINC000516340529 1007027655 /nfs/dbraw/zinc/02/76/55/1007027655.db2.gz QRAPPXDYUNFBTE-UHFFFAOYSA-N 0 2 418.372 3.691 20 0 HHADLN O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000516671289 1007219858 /nfs/dbraw/zinc/21/98/58/1007219858.db2.gz BDSVGQTVAMINNB-IBGZPJMESA-N 0 2 420.444 3.571 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)c(Cl)cc1F ZINC000516677654 1007225417 /nfs/dbraw/zinc/22/54/17/1007225417.db2.gz LLHGFWWUTTWWLQ-UHFFFAOYSA-N 0 2 405.234 3.573 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)c(C)o1 ZINC000532856788 1007245298 /nfs/dbraw/zinc/24/52/98/1007245298.db2.gz PPUVRJAYMQQMRO-UHFFFAOYSA-N 0 2 424.475 3.670 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)c1cn[nH]c1 ZINC000516837404 1007317934 /nfs/dbraw/zinc/31/79/34/1007317934.db2.gz XIEJETGSNDSYAO-UHFFFAOYSA-N 0 2 411.270 3.770 20 0 HHADLN Cn1cc(NS(=O)(=O)c2ccc(Br)c(F)c2)c(-c2ccccc2)n1 ZINC000539112304 1007399471 /nfs/dbraw/zinc/39/94/71/1007399471.db2.gz SQCQDXXBNKTZNM-UHFFFAOYSA-N 0 2 410.268 3.790 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cncc3ccccc32)cc1Br ZINC000535386850 1007452052 /nfs/dbraw/zinc/45/20/52/1007452052.db2.gz NDLZIJSVSKCLJG-UHFFFAOYSA-N 0 2 423.288 3.815 20 0 HHADLN CC(=O)Nc1cc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)ccc1C ZINC000517158502 1007469428 /nfs/dbraw/zinc/46/94/28/1007469428.db2.gz MDKMPUGTFFYXAF-UHFFFAOYSA-N 0 2 413.858 3.505 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(Br)c2)c(C)o1 ZINC000533169354 1007509039 /nfs/dbraw/zinc/50/90/39/1007509039.db2.gz JELLVWFOKRFDJL-UHFFFAOYSA-N 0 2 408.657 3.591 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2nnc(-c3ccccc3C)o2)c1Br ZINC000517215061 1007510002 /nfs/dbraw/zinc/51/00/02/1007510002.db2.gz BRBFPLHKAGVPEZ-UHFFFAOYSA-N 0 2 408.277 3.917 20 0 HHADLN COCc1ccc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000539231089 1007524397 /nfs/dbraw/zinc/52/43/97/1007524397.db2.gz BSLWPEKALSUGHW-UHFFFAOYSA-N 0 2 407.542 3.778 20 0 HHADLN COCc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)cc1 ZINC000539231323 1007525212 /nfs/dbraw/zinc/52/52/12/1007525212.db2.gz MKTSIWVDSHNISI-UHFFFAOYSA-N 0 2 400.504 3.512 20 0 HHADLN COC(=O)COc1ccc(NC(=O)c2cccc(Br)c2O)cc1Cl ZINC000533237252 1007557691 /nfs/dbraw/zinc/55/76/91/1007557691.db2.gz IAZVPGCQTXAGHA-UHFFFAOYSA-N 0 2 414.639 3.612 20 0 HHADLN COc1cccc(-c2cc(NS(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)n(C)n2)c1 ZINC000535653991 1007665359 /nfs/dbraw/zinc/66/53/59/1007665359.db2.gz DYDFHYVMYXDPBY-UHFFFAOYSA-N 0 2 413.499 3.610 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2cccc(C[S@@](=O)C3CCCCC3)c2)c1 ZINC000539400269 1007708362 /nfs/dbraw/zinc/70/83/62/1007708362.db2.gz ATXJEUPQVORKRW-HHHXNRCGSA-N 0 2 423.556 3.783 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3nc(CC(C)(C)C)cs3)cc21 ZINC000539555855 1007868243 /nfs/dbraw/zinc/86/82/43/1007868243.db2.gz ODGUTJDJRABCSF-UHFFFAOYSA-N 0 2 407.561 3.832 20 0 HHADLN COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2cc(Cl)cnc2N)cn1 ZINC000533628421 1007932198 /nfs/dbraw/zinc/93/21/98/1007932198.db2.gz MGYQCAIYSSJGGK-UHFFFAOYSA-N 0 2 420.878 3.622 20 0 HHADLN CC(C)c1noc2nc(C3CC3)cc(C(=O)N=c3nc(-c4cccnc4)[nH]s3)c21 ZINC000535935507 1007964300 /nfs/dbraw/zinc/96/43/00/1007964300.db2.gz GEPVWKGCOVTUPA-UHFFFAOYSA-N 0 2 406.471 3.811 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)nc1C(C)C ZINC000535989951 1008028969 /nfs/dbraw/zinc/02/89/69/1008028969.db2.gz LLSLUCPYFZMVTE-UHFFFAOYSA-N 0 2 408.423 3.661 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ccc(N2CCc3ccccc3C2)cc1 ZINC000533724317 1008050524 /nfs/dbraw/zinc/05/05/24/1008050524.db2.gz XJBIVTGNQJXKHC-UHFFFAOYSA-N 0 2 413.506 3.837 20 0 HHADLN COc1cccc(-c2cc(NS(=O)(=O)c3ccc(OC)cc3Cl)n(C)n2)c1 ZINC000517999736 1008095329 /nfs/dbraw/zinc/09/53/29/1008095329.db2.gz ZQMNQFTVWPMYEQ-UHFFFAOYSA-N 0 2 407.879 3.559 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2noc(-c3ccccc3)n2)sc1Br ZINC000539813804 1008109932 /nfs/dbraw/zinc/10/99/32/1008109932.db2.gz DDQWFGRBJDNUQL-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN Cn1nc(CC(C)(C)C)cc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000518198926 1008202837 /nfs/dbraw/zinc/20/28/37/1008202837.db2.gz ZQOPGLXXQNAUNY-UHFFFAOYSA-N 0 2 404.305 3.711 20 0 HHADLN CCCC(=O)Nc1nc2ccc(NS(=O)(=O)c3cc(OC)ccc3O)cc2s1 ZINC000540497489 1008456246 /nfs/dbraw/zinc/45/62/46/1008456246.db2.gz RLBZSCGZFNBZJE-UHFFFAOYSA-N 0 2 421.500 3.550 20 0 HHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000545444855 1008557268 /nfs/dbraw/zinc/55/72/68/1008557268.db2.gz PXKMJMPTLHLXIZ-UHFFFAOYSA-N 0 2 415.298 3.736 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2)c1 ZINC000545465686 1008575191 /nfs/dbraw/zinc/57/51/91/1008575191.db2.gz ZSUAWQCTADWCHP-UHFFFAOYSA-N 0 2 408.277 3.649 20 0 HHADLN CCc1cc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)nc(C)n1 ZINC000545470866 1008579196 /nfs/dbraw/zinc/57/91/96/1008579196.db2.gz VUSBTGKGHAHFIS-UHFFFAOYSA-N 0 2 424.242 3.930 20 0 HHADLN CC(C)C(=O)c1ccc([C@H](C)C(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000549041518 1008609012 /nfs/dbraw/zinc/60/90/12/1008609012.db2.gz MNFPYLWWLGRPQN-INIZCTEOSA-N 0 2 406.486 3.642 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cccc(-c3cnco3)c2)cc1Cl ZINC000519217339 1008621533 /nfs/dbraw/zinc/62/15/33/1008621533.db2.gz BTSIRGNZKFPUGU-UHFFFAOYSA-N 0 2 409.826 3.893 20 0 HHADLN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)cc1 ZINC000543159970 1008732600 /nfs/dbraw/zinc/73/26/00/1008732600.db2.gz JYWVJCBCAXSVOM-UHFFFAOYSA-N 0 2 420.579 3.875 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000543163190 1008737179 /nfs/dbraw/zinc/73/71/79/1008737179.db2.gz FALJLHPRXPJDBT-UHFFFAOYSA-N 0 2 401.492 3.539 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H]3CCc4cc(F)c(OC)cc43)s[nH]2)c1 ZINC000549197292 1008770449 /nfs/dbraw/zinc/77/04/49/1008770449.db2.gz SFDAOKOKLPKPCU-MRXNPFEDSA-N 0 2 414.462 3.592 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2ccc3c(c2)C(=O)CCC3)o1)c1ccccc1 ZINC000519491373 1008862536 /nfs/dbraw/zinc/86/25/36/1008862536.db2.gz PRBVWLFSPUEQPC-QGZVFWFLSA-N 0 2 411.483 3.931 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N3CCN(Cc4ccc(Cl)cc4C)CC3)c[nH]c2n1 ZINC000519720935 1008975194 /nfs/dbraw/zinc/97/51/94/1008975194.db2.gz CUMKVWJWNLPPJY-UHFFFAOYSA-N 0 2 410.905 3.564 20 0 HHADLN COC(=O)Cc1ccc(S(=O)(=O)Nc2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000545998080 1009039738 /nfs/dbraw/zinc/03/97/38/1009039738.db2.gz DESNAYUMIDVLOD-UHFFFAOYSA-N 0 2 421.478 3.518 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCCCCc3nc(C)cs3)s[nH]2)c1 ZINC000543614914 1009219735 /nfs/dbraw/zinc/21/97/35/1009219735.db2.gz MZDHHTOZQXFBCW-UHFFFAOYSA-N 0 2 403.533 3.545 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](C)c3noc(-c4ccccc4)n3)s[nH]2)c1 ZINC000543617535 1009223777 /nfs/dbraw/zinc/22/37/77/1009223777.db2.gz ZPFZDJDYJYABLY-GFCCVEGCSA-N 0 2 422.470 3.568 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000520098676 1009256281 /nfs/dbraw/zinc/25/62/81/1009256281.db2.gz KIQWVZGGQIHNAD-UHFFFAOYSA-N 0 2 417.281 3.767 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1ccnc(N2CCCC2)c1 ZINC000543659034 1009267758 /nfs/dbraw/zinc/26/77/58/1009267758.db2.gz YOTNTMHVNSJIJS-UHFFFAOYSA-N 0 2 414.922 3.597 20 0 HHADLN COC(=O)c1ccc(CCC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1 ZINC000520321089 1009450346 /nfs/dbraw/zinc/45/03/46/1009450346.db2.gz BVPIZRKBIGOVNY-UHFFFAOYSA-N 0 2 401.875 3.638 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1cncc(-c2ccc(N(C)C)cc2)c1 ZINC000549847872 1009463054 /nfs/dbraw/zinc/46/30/54/1009463054.db2.gz UUPUGSYJCSONDM-UHFFFAOYSA-N 0 2 414.469 3.866 20 0 HHADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc(Cl)cc2OC(F)F)c1 ZINC000546538877 1009560214 /nfs/dbraw/zinc/56/02/14/1009560214.db2.gz QAWSYQLQELFPLT-UHFFFAOYSA-N 0 2 409.769 3.668 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000546563853 1009586638 /nfs/dbraw/zinc/58/66/38/1009586638.db2.gz PZQMZLIQDYULHI-UHFFFAOYSA-N 0 2 422.503 3.699 20 0 HHADLN Cc1cc(NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)n(Cc2ccccc2)n1 ZINC000546641034 1009647637 /nfs/dbraw/zinc/64/76/37/1009647637.db2.gz PIOCIYRUQIZQHI-UHFFFAOYSA-N 0 2 408.487 3.614 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ncn(C3CCCCC3)n2)c2ccccc12 ZINC000544079246 1009685288 /nfs/dbraw/zinc/68/52/88/1009685288.db2.gz YRSAJIRGUTVHSJ-UHFFFAOYSA-N 0 2 413.503 3.696 20 0 HHADLN Cc1cc(C)n(-c2cccc(NS(=O)(=O)c3c(C)nn(CC(C)C)c3C)c2)n1 ZINC000544095042 1009704265 /nfs/dbraw/zinc/70/42/65/1009704265.db2.gz JMDMBZAAZIIESA-UHFFFAOYSA-N 0 2 401.536 3.759 20 0 HHADLN C[C@@H](C(F)(F)F)S(=O)(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 ZINC000546775683 1009741866 /nfs/dbraw/zinc/74/18/66/1009741866.db2.gz KCFHLCGNXIMOBN-HNNXBMFYSA-N 0 2 423.460 3.969 20 0 HHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1cnn2cc(Br)cnc12 ZINC000546857980 1009819586 /nfs/dbraw/zinc/81/95/86/1009819586.db2.gz LQQRDMFWNSCRDN-UHFFFAOYSA-N 0 2 402.035 3.757 20 0 HHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000546859866 1009822503 /nfs/dbraw/zinc/82/25/03/1009822503.db2.gz RJLAKHNYFGWQGE-AWEZNQCLSA-N 0 2 423.252 3.671 20 0 HHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000546859710 1009822560 /nfs/dbraw/zinc/82/25/60/1009822560.db2.gz TXIVZBDMBMMADT-JTQLQIEISA-N 0 2 401.196 3.969 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cc(F)c(F)c(F)c2)cnn1-c1cc(C)ccn1 ZINC000546887329 1009846890 /nfs/dbraw/zinc/84/68/90/1009846890.db2.gz QKUCVGQBKWRQOW-UHFFFAOYSA-N 0 2 410.421 3.746 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1nnc(C(C)C)s1 ZINC000550419324 1009922048 /nfs/dbraw/zinc/92/20/48/1009922048.db2.gz QPGBMVLJROUIIQ-INIZCTEOSA-N 0 2 413.547 3.514 20 0 HHADLN Cc1ccc(Cc2noc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)cc1 ZINC000547020120 1009977992 /nfs/dbraw/zinc/97/79/92/1009977992.db2.gz OEBHQJOWZPWDBC-UHFFFAOYSA-N 0 2 412.496 3.893 20 0 HHADLN CC1CC[NH+](Cc2csc(NC(=O)c3nn(-c4cccc(F)c4)cc3[O-])n2)CC1 ZINC000550561217 1010028527 /nfs/dbraw/zinc/02/85/27/1010028527.db2.gz BEOXQHZTSULWMD-UHFFFAOYSA-N 0 2 415.494 3.658 20 0 HHADLN CCCc1c(C(=O)N=c2nc(C(C)(C)C)[nH]s2)nnn1-c1cccc(Cl)c1 ZINC000520997444 1010036449 /nfs/dbraw/zinc/03/64/49/1010036449.db2.gz BENNLITUJKWVBZ-UHFFFAOYSA-N 0 2 404.927 3.696 20 0 HHADLN C[N@@H+]1CC[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000544552626 1010181690 /nfs/dbraw/zinc/18/16/90/1010181690.db2.gz ZSYJSBXVXBRADL-CZUORRHYSA-N 0 2 402.775 3.777 20 0 HHADLN C[N@H+]1CC[C@@H](NC(=O)c2cc(F)c(F)c([O-])c2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000544552626 1010181698 /nfs/dbraw/zinc/18/16/98/1010181698.db2.gz ZSYJSBXVXBRADL-CZUORRHYSA-N 0 2 402.775 3.777 20 0 HHADLN COc1ccc(CCc2nnc(NS(=O)(=O)c3cccc(C(C)C)c3)o2)cc1 ZINC000521183712 1010215569 /nfs/dbraw/zinc/21/55/69/1010215569.db2.gz XOGREKZWFJGYLX-UHFFFAOYSA-N 0 2 401.488 3.788 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NC[C@H]3CCCO[C@H]3C(C)(C)C)s[nH]2)c1 ZINC000544594582 1010221041 /nfs/dbraw/zinc/22/10/41/1010221041.db2.gz QCYYDORQMDPATD-GDBMZVCRSA-N 0 2 404.536 3.598 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H]3COc4ccc(Cl)cc43)s[nH]2)c1 ZINC000544597842 1010223859 /nfs/dbraw/zinc/22/38/59/1010223859.db2.gz DTRSIBQYZJRINB-AWEZNQCLSA-N 0 2 402.863 3.544 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H]3COc4ccc(Cl)cc43)s[nH]2)c1 ZINC000544597845 1010223966 /nfs/dbraw/zinc/22/39/66/1010223966.db2.gz DTRSIBQYZJRINB-CQSZACIVSA-N 0 2 402.863 3.544 20 0 HHADLN Cc1ccc(Cl)c2ccc(NS(=O)(=O)c3ccccc3Cn3cncn3)nc12 ZINC000544620568 1010244192 /nfs/dbraw/zinc/24/41/92/1010244192.db2.gz HQXAYBVJWXXKSE-UHFFFAOYSA-N 0 2 413.890 3.637 20 0 HHADLN CC[C@H]1CCCC[C@H]1OCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000547329322 1010255561 /nfs/dbraw/zinc/25/55/61/1010255561.db2.gz PLJPIABCHOUJGH-WMLDXEAASA-N 0 2 423.560 3.868 20 0 HHADLN COCc1cc(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)ccc1F ZINC000544634955 1010257955 /nfs/dbraw/zinc/25/79/55/1010257955.db2.gz CXWZSCBAGJTCOR-UHFFFAOYSA-N 0 2 406.870 3.888 20 0 HHADLN CC[C@H]1CN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)[C@@H](CC)CN1C(C)=O ZINC000544635614 1010259563 /nfs/dbraw/zinc/25/95/63/1010259563.db2.gz NRKMCVPJDWUIRC-HOTGVXAUSA-N 0 2 421.954 3.534 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@H]1CCOC2(CCSCC2)C1 ZINC000544636625 1010260110 /nfs/dbraw/zinc/26/01/10/1010260110.db2.gz TWMLCWBCHCHFJB-LBPRGKRZSA-N 0 2 424.979 3.847 20 0 HHADLN COc1cc(CN(C)C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc(OC)c1 ZINC000544636311 1010260310 /nfs/dbraw/zinc/26/03/10/1010260310.db2.gz JZOSMYUXAJMMEZ-UHFFFAOYSA-N 0 2 418.906 3.962 20 0 HHADLN COc1ccc(CN(C)C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1O ZINC000544637472 1010261517 /nfs/dbraw/zinc/26/15/17/1010261517.db2.gz HRXAVMIKEMRTHO-UHFFFAOYSA-N 0 2 404.879 3.659 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(C)c3c(n2)CCCC3)c(Cl)c1Cl ZINC000544665516 1010284473 /nfs/dbraw/zinc/28/44/73/1010284473.db2.gz UXHBVEWKZBRRQC-UHFFFAOYSA-N 0 2 402.303 3.780 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cc(F)cc(F)c2)nc1C1CCCC1 ZINC000544667714 1010286034 /nfs/dbraw/zinc/28/60/34/1010286034.db2.gz AFRFKANUFKKZKS-UHFFFAOYSA-N 0 2 402.444 3.666 20 0 HHADLN CC(C)S(=O)(=O)c1cccc(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c1 ZINC000547432962 1010302919 /nfs/dbraw/zinc/30/29/19/1010302919.db2.gz WOLHLPOASVZBII-UHFFFAOYSA-N 0 2 421.931 3.715 20 0 HHADLN O=S(=O)([N-]c1cccc2c1CN(c1cccc[nH+]1)C2)c1ccc(Br)o1 ZINC000544726926 1010334030 /nfs/dbraw/zinc/33/40/30/1010334030.db2.gz ZTALJDCGSRRNDX-UHFFFAOYSA-N 0 2 420.288 3.758 20 0 HHADLN COc1ccc(C[C@H](NS(=O)(=O)[C@H](C)C(F)(F)F)c2ccc(OC)cc2)cc1 ZINC000544747228 1010351614 /nfs/dbraw/zinc/35/16/14/1010351614.db2.gz AQVOAXALUSUUEU-ACJLOTCBSA-N 0 2 417.449 3.858 20 0 HHADLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1cccc(Oc2cnccn2)c1 ZINC000551107517 1010373842 /nfs/dbraw/zinc/37/38/42/1010373842.db2.gz UFFOTXVMSQWXPT-UHFFFAOYSA-N 0 2 419.846 3.510 20 0 HHADLN O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccc1)c1cnn(CC(F)F)c1 ZINC000551108564 1010374412 /nfs/dbraw/zinc/37/44/12/1010374412.db2.gz FESACZZLKHCIIX-UHFFFAOYSA-N 0 2 420.363 3.759 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)cc1OCC(F)F)c1cccc2c1OCCO2 ZINC000521498137 1010413490 /nfs/dbraw/zinc/41/34/90/1010413490.db2.gz YBVWLUMIKRYGSE-UHFFFAOYSA-N 0 2 405.806 3.556 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(SC)nc1 ZINC000547819199 1010437231 /nfs/dbraw/zinc/43/72/31/1010437231.db2.gz WHRABYNCKSXGJW-UHFFFAOYSA-N 0 2 402.925 3.673 20 0 HHADLN CSc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)cn1 ZINC000547954189 1010481182 /nfs/dbraw/zinc/48/11/82/1010481182.db2.gz YZNYZYUUELECEP-GFCCVEGCSA-N 0 2 414.936 3.673 20 0 HHADLN CCOC(=O)c1cnc(Oc2ccc(NS(=O)(=O)c3ccc(C)s3)cc2)cn1 ZINC000547956702 1010483185 /nfs/dbraw/zinc/48/31/85/1010483185.db2.gz XISYGOKQNXOQBE-UHFFFAOYSA-N 0 2 419.484 3.616 20 0 HHADLN O=C1CCCN1c1cccc(-c2noc(-c3cccc(Br)c3O)n2)c1 ZINC000544955364 1010517800 /nfs/dbraw/zinc/51/78/00/1010517800.db2.gz NHHAHROSPXZEIZ-UHFFFAOYSA-N 0 2 400.232 3.999 20 0 HHADLN O=C1C[C@@H](c2noc(-c3cccc(Br)c3O)n2)CN1c1ccccc1 ZINC000544972683 1010529348 /nfs/dbraw/zinc/52/93/48/1010529348.db2.gz OQRVEVKQZSGYAM-LLVKDONJSA-N 0 2 400.232 3.725 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccs2)ns1)c1ccc(Cl)c(F)c1Cl ZINC000551389426 1010555366 /nfs/dbraw/zinc/55/53/66/1010555366.db2.gz KDVXOCDPHBESAZ-UHFFFAOYSA-N 0 2 410.304 3.935 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccccc2CS(=O)(=O)c2ccccc2)c1 ZINC000521711513 1010567346 /nfs/dbraw/zinc/56/73/46/1010567346.db2.gz AMNRZWKFSVHSIY-UHFFFAOYSA-N 0 2 419.499 3.909 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccccc2OC(F)(F)F)ccc1C(=O)NC(C)C ZINC000521751230 1010591582 /nfs/dbraw/zinc/59/15/82/1010591582.db2.gz XQFDYEOYGXBRPR-UHFFFAOYSA-N 0 2 416.421 3.833 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)c1 ZINC000521765704 1010601262 /nfs/dbraw/zinc/60/12/62/1010601262.db2.gz XLQYEDMPMVVPGJ-UHFFFAOYSA-N 0 2 413.499 3.704 20 0 HHADLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000551477209 1010611477 /nfs/dbraw/zinc/61/14/77/1010611477.db2.gz JNTDNMCABIKWSC-UHFFFAOYSA-N 0 2 423.796 3.869 20 0 HHADLN O=S(=O)(Nc1ccc(OCc2ccccc2)nc1)c1cnc(-c2ccccc2)nc1 ZINC000548698140 1010708014 /nfs/dbraw/zinc/70/80/14/1010708014.db2.gz UAJCMVJYQCASNR-UHFFFAOYSA-N 0 2 418.478 3.918 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1cccnc1OCC(F)(F)F ZINC000521935484 1010722846 /nfs/dbraw/zinc/72/28/46/1010722846.db2.gz RRXHTVIGNCWRIW-UHFFFAOYSA-N 0 2 414.796 3.869 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)c(C)c1C ZINC000522738825 1011186769 /nfs/dbraw/zinc/18/67/69/1011186769.db2.gz WZKDOUHRUCGLKZ-UHFFFAOYSA-N 0 2 414.531 3.991 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)c2nn(-c3ccc(F)cc3)cc2Br)s[nH]1 ZINC000522744629 1011190749 /nfs/dbraw/zinc/19/07/49/1011190749.db2.gz COQJBFXMLZRERX-UHFFFAOYSA-N 0 2 424.299 3.597 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(OC(C)C)c(C)c2)nc1C1CC1 ZINC000536178027 1011311355 /nfs/dbraw/zinc/31/13/55/1011311355.db2.gz MZIUUUYOZVUEFQ-UHFFFAOYSA-N 0 2 410.517 3.704 20 0 HHADLN COCCOc1ccc(S(=O)(=O)Nc2cc(C)n(-c3cc(C)cc(C)c3)n2)cc1 ZINC000540696666 1011349057 /nfs/dbraw/zinc/34/90/57/1011349057.db2.gz LUWOPIYOVBCBHE-UHFFFAOYSA-N 0 2 415.515 3.624 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N(Cc2ccc3ccccc3c2)C2CC2)s[nH]1 ZINC000523081899 1011551260 /nfs/dbraw/zinc/55/12/60/1011551260.db2.gz QGDMULMEQWWXRI-UHFFFAOYSA-N 0 2 408.527 3.540 20 0 HHADLN C[C@@H](Cc1ccccc1F)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000523101470 1011572043 /nfs/dbraw/zinc/57/20/43/1011572043.db2.gz KMUKQGBUPYGVME-ZDUSSCGKSA-N 0 2 419.503 3.900 20 0 HHADLN CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000540907848 1011578472 /nfs/dbraw/zinc/57/84/72/1011578472.db2.gz PDFQBTJJQUGUFA-UHFFFAOYSA-N 0 2 420.541 3.703 20 0 HHADLN Cc1n[nH]cc1S(=O)(=O)Nc1ccc(OCc2ccccc2)c(Br)c1 ZINC000523123983 1011590565 /nfs/dbraw/zinc/59/05/65/1011590565.db2.gz LPLHDOBHGWADJY-UHFFFAOYSA-N 0 2 422.304 3.860 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)=N1 ZINC000536448032 1011665741 /nfs/dbraw/zinc/66/57/41/1011665741.db2.gz MSQFXLSWEFYKDK-CQSZACIVSA-N 0 2 421.432 3.609 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc3ccc(NC(C)=O)cc3s2)c(C)c1F ZINC000541173319 1011845403 /nfs/dbraw/zinc/84/54/03/1011845403.db2.gz LJLJUTNWHRQFIP-UHFFFAOYSA-N 0 2 409.464 3.512 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)c(C)c1F ZINC000541174032 1011846607 /nfs/dbraw/zinc/84/66/07/1011846607.db2.gz ZCMZPPXAPYEQOR-UHFFFAOYSA-N 0 2 406.382 3.971 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccncc2)ns1)c1ccc(Cl)c2ccccc21 ZINC000541288306 1011984881 /nfs/dbraw/zinc/98/48/81/1011984881.db2.gz HXRUJEAPIFUVNV-UHFFFAOYSA-N 0 2 402.888 3.629 20 0 HHADLN COc1ccc2nc(NS(=O)(=O)c3ccc(OCC(F)F)cc3)sc2c1 ZINC000541288288 1011985024 /nfs/dbraw/zinc/98/50/24/1011985024.db2.gz DEGJZUFGHBGCON-UHFFFAOYSA-N 0 2 400.428 3.750 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccnn1-c1ccc(Cl)cc1 ZINC000541290299 1011988430 /nfs/dbraw/zinc/98/84/30/1011988430.db2.gz LUVISJADQFBXDT-UHFFFAOYSA-N 0 2 407.927 3.796 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)C(C)(C)c1c(C)noc1C ZINC000551917542 1012024442 /nfs/dbraw/zinc/02/44/42/1012024442.db2.gz VLRKWYBKFJEUJG-LJQANCHMSA-N 0 2 424.545 3.808 20 0 HHADLN Cc1nc(C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)nn1-c1ccccc1C(C)C ZINC000551948167 1012030432 /nfs/dbraw/zinc/03/04/32/1012030432.db2.gz SQHYIWNVMBELLB-UHFFFAOYSA-N 0 2 417.473 3.751 20 0 HHADLN CCc1nc(C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)nn1-c1ccccc1Cl ZINC000551946809 1012030951 /nfs/dbraw/zinc/03/09/51/1012030951.db2.gz DRRJPNIGTQGHPW-UHFFFAOYSA-N 0 2 423.864 3.535 20 0 HHADLN NC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1Cl ZINC000523535548 1012067003 /nfs/dbraw/zinc/06/70/03/1012067003.db2.gz XRMXLUFFIPPVMC-UHFFFAOYSA-N 0 2 413.204 3.912 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(-n3nnnc3C3CC3)c2)sc1C ZINC000536905600 1012167824 /nfs/dbraw/zinc/16/78/24/1012167824.db2.gz OYHKNHRTNKAFRF-UHFFFAOYSA-N 0 2 409.924 3.672 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2OCC(F)F)cc1Cl ZINC000536905868 1012169357 /nfs/dbraw/zinc/16/93/57/1012169357.db2.gz QKNBWDJOAFDEPM-UHFFFAOYSA-N 0 2 423.796 3.710 20 0 HHADLN CC[C@@H](CSC)N(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000536935768 1012226645 /nfs/dbraw/zinc/22/66/45/1012226645.db2.gz QVXXEDDPOWFEEP-ZDUSSCGKSA-N 0 2 414.578 3.549 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 ZINC000552256232 1012265782 /nfs/dbraw/zinc/26/57/82/1012265782.db2.gz WOGSYAILLKOCBB-UHFFFAOYSA-N 0 2 423.436 3.677 20 0 HHADLN C[C@@H](Oc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cn1)c1ccccc1 ZINC000552259277 1012268770 /nfs/dbraw/zinc/26/87/70/1012268770.db2.gz XEDZNKQQWNGZRI-CQSZACIVSA-N 0 2 401.426 3.965 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cnn(-c2ccc(Cl)cc2Cl)c1 ZINC000552280224 1012292995 /nfs/dbraw/zinc/29/29/95/1012292995.db2.gz YIETYBOSZWUKNK-UHFFFAOYSA-N 0 2 415.240 3.922 20 0 HHADLN Cc1cccc(C)c1OCc1nnc(SCc2n[nH]c(=O)[nH]2)n1-c1ccccc1 ZINC000537048386 1012370229 /nfs/dbraw/zinc/37/02/29/1012370229.db2.gz FGFPQRKKMIGCEI-UHFFFAOYSA-N 0 2 408.487 3.579 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2ccc(Sc3nnc(C)s3)cc2C)c1 ZINC000537196037 1012612187 /nfs/dbraw/zinc/61/21/87/1012612187.db2.gz NWKKWXMKNTXGIJ-UHFFFAOYSA-N 0 2 423.541 3.821 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCc4ccc(F)c(F)c4C3)s[nH]2)c1 ZINC000541764115 1012627527 /nfs/dbraw/zinc/62/75/27/1012627527.db2.gz OAQGOFTYFXBLQO-UHFFFAOYSA-N 0 2 402.426 3.504 20 0 HHADLN CN(Cc1ccc([S@](C)=O)cc1)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000541799389 1012676930 /nfs/dbraw/zinc/67/69/30/1012676930.db2.gz XBNMDVLTYQVCPU-MHZLTWQESA-N 0 2 420.947 3.682 20 0 HHADLN O=S(=O)(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(F)c(F)c1F ZINC000524017661 1012763200 /nfs/dbraw/zinc/76/32/00/1012763200.db2.gz NKLADLZEALWQQI-UHFFFAOYSA-N 0 2 423.294 3.974 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCCN4c5ccccc5C[C@H]4C3)=N2)c1 ZINC000552776717 1012781925 /nfs/dbraw/zinc/78/19/25/1012781925.db2.gz NIEZCQRBTLBQFS-NRFANRHFSA-N 0 2 416.525 3.979 20 0 HHADLN CCN(CC)C(=O)CCC1CCN(C(=O)N=c2nc(-c3ccccc3)[nH]s2)CC1 ZINC000542019417 1012911000 /nfs/dbraw/zinc/91/10/00/1012911000.db2.gz GGQOZILGSXSXBI-UHFFFAOYSA-N 0 2 415.563 3.520 20 0 HHADLN C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)[C@H]2CCCC[C@H]12 ZINC000542027348 1012923502 /nfs/dbraw/zinc/92/35/02/1012923502.db2.gz YCTYETVPDTUASK-XYPHTWIQSA-N 0 2 420.560 3.986 20 0 HHADLN Cc1cn2cc(NC(=O)c3cccc([N-]S(=O)(=O)c4cccs4)c3)ccc2[nH+]1 ZINC000524165051 1012958328 /nfs/dbraw/zinc/95/83/28/1012958328.db2.gz NKMFWLSGGPZSNP-UHFFFAOYSA-N 0 2 412.496 3.757 20 0 HHADLN CC(=O)Nc1ccc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)cc1C ZINC000729666466 1071779348 /nfs/dbraw/zinc/77/93/48/1071779348.db2.gz WBPJSLKMNLOZEJ-UHFFFAOYSA-N 0 2 413.858 3.505 20 0 HHADLN O=C(NCc1ccc(-c2nc(-c3sccc3Br)no2)o1)C(F)(F)F ZINC000904896655 1071934992 /nfs/dbraw/zinc/93/49/92/1071934992.db2.gz WMRNRGBGHHRGPK-UHFFFAOYSA-N 0 2 422.182 3.999 20 0 HHADLN COCc1nnc([C@@H]2CCCCN2C(=O)c2ccc(OC3CCC3)cc2Cl)[nH]1 ZINC000569563778 1072025098 /nfs/dbraw/zinc/02/50/98/1072025098.db2.gz JAGGUGYRJJCWLO-KRWDZBQOSA-N 0 2 404.898 3.903 20 0 HHADLN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000488206460 1072125110 /nfs/dbraw/zinc/12/51/10/1072125110.db2.gz UVVZYKBGUNWBDH-QMMMGPOBSA-N 0 2 421.274 3.846 20 0 HHADLN O=S(=O)(Nc1cnn(CC(F)(F)F)c1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488230936 1072141422 /nfs/dbraw/zinc/14/14/22/1072141422.db2.gz LOJZFUCNAGHBAO-UHFFFAOYSA-N 0 2 407.723 3.918 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(SC)c(Cl)c2)c(OC)c1 ZINC000488234288 1072150728 /nfs/dbraw/zinc/15/07/28/1072150728.db2.gz PEOMGZDZCLBSDR-UHFFFAOYSA-N 0 2 403.909 3.889 20 0 HHADLN O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001126789395 1072462135 /nfs/dbraw/zinc/46/21/35/1072462135.db2.gz SKUFOCSGYPZNGR-ZJUUUORDSA-N 0 2 400.319 3.557 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)Cc1ccc(C)c(OC)c1 ZINC000571492954 1072640295 /nfs/dbraw/zinc/64/02/95/1072640295.db2.gz CQNKAVSBPADXFM-OAQYLSRUSA-N 0 2 421.541 3.785 20 0 HHADLN CCSc1nnc(NS(=O)(=O)c2cc(Br)c(F)cc2C)s1 ZINC000479114538 1072731435 /nfs/dbraw/zinc/73/14/35/1072731435.db2.gz IYUXLFGSNRBCIY-UHFFFAOYSA-N 0 2 412.331 3.661 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)cnn1-c1ccccn1 ZINC000479128403 1072737237 /nfs/dbraw/zinc/73/72/37/1072737237.db2.gz GJIYEKRJNGKSAU-UHFFFAOYSA-N 0 2 405.892 3.640 20 0 HHADLN CCCc1csc(NS(=O)(=O)c2cc(Cl)ccc2OCCCOC)n1 ZINC000479135492 1072745152 /nfs/dbraw/zinc/74/51/52/1072745152.db2.gz VXIDVTUXECZHEP-UHFFFAOYSA-N 0 2 404.941 3.965 20 0 HHADLN CC(C)n1cc(S(=O)(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CCC3)cn1 ZINC000479137916 1072749753 /nfs/dbraw/zinc/74/97/53/1072749753.db2.gz XNHMRQXSQLQOBQ-UHFFFAOYSA-N 0 2 405.911 3.593 20 0 HHADLN O=S(=O)(Nc1nccc(-c2ccco2)n1)c1ccc(Br)cc1Cl ZINC000479139572 1072762413 /nfs/dbraw/zinc/76/24/13/1072762413.db2.gz JKZGOJJTOKBPMD-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)cc1F ZINC000479151817 1072774611 /nfs/dbraw/zinc/77/46/11/1072774611.db2.gz HQXOHXJEZUMYLG-UHFFFAOYSA-N 0 2 417.846 3.946 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccc(F)cc2Br)nc1Br ZINC000783954472 1072887544 /nfs/dbraw/zinc/88/75/44/1072887544.db2.gz AMCGOOBPTFKFTE-UHFFFAOYSA-N 0 2 424.089 3.855 20 0 HHADLN O=S(=O)(Nc1noc(C2CC2)n1)c1ccc(Br)cc1C(F)(F)F ZINC000555002437 1073052104 /nfs/dbraw/zinc/05/21/04/1073052104.db2.gz ALLALQKANPCUAJ-UHFFFAOYSA-N 0 2 412.187 3.529 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cccc4[nH]c(=O)oc43)cc2c1C ZINC000555128801 1073178457 /nfs/dbraw/zinc/17/84/57/1073178457.db2.gz CXKYVZOGUOXBGY-UHFFFAOYSA-N 0 2 416.411 3.566 20 0 HHADLN CC1CCN(Cc2csc(NS(=O)(=O)c3ccc4c(c3)C(=O)CCC4)n2)CC1 ZINC000555135958 1073188026 /nfs/dbraw/zinc/18/80/26/1073188026.db2.gz UIIMADDLZGDMBR-UHFFFAOYSA-N 0 2 419.572 3.695 20 0 HHADLN O=C1Cc2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)nc3)c(Cl)cc2N1 ZINC000588773800 1073203954 /nfs/dbraw/zinc/20/39/54/1073203954.db2.gz MQRCJVWTXCEECC-UHFFFAOYSA-N 0 2 415.858 3.823 20 0 HHADLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2ccc3c(c2)C(=O)CCC3)s1 ZINC000555139243 1073208863 /nfs/dbraw/zinc/20/88/63/1073208863.db2.gz ABTUVMBGYGMTKK-UHFFFAOYSA-N 0 2 417.487 3.972 20 0 HHADLN COCc1cc(Cl)cc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2C)c1 ZINC000572414829 1073255620 /nfs/dbraw/zinc/25/56/20/1073255620.db2.gz OAXZRKRETFZANR-UHFFFAOYSA-N 0 2 409.870 3.920 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cnn(CC(C)C)c2CC)c1 ZINC000589965578 1073410284 /nfs/dbraw/zinc/41/02/84/1073410284.db2.gz OPTYDZUMWIMSPI-UHFFFAOYSA-N 0 2 413.927 3.732 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)[C@H]1CCCOC1 ZINC000589942751 1073428756 /nfs/dbraw/zinc/42/87/56/1073428756.db2.gz KSWQIOSCVMWBIN-LBPRGKRZSA-N 0 2 412.870 3.645 20 0 HHADLN O=C(c1cc2ccccc2n1Cc1ccccc1F)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000555551914 1073620211 /nfs/dbraw/zinc/62/02/11/1073620211.db2.gz BWIDJSRHIHOZCV-KRWDZBQOSA-N 0 2 419.460 3.672 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)cc1OC ZINC000590263399 1073718773 /nfs/dbraw/zinc/71/87/73/1073718773.db2.gz RLWPYLNUOBFJRX-UHFFFAOYSA-N 0 2 421.450 3.817 20 0 HHADLN COCCOc1ncccc1NS(=O)(=O)c1ccc2c(c1)c1ccccc1n2C ZINC000590264995 1073720778 /nfs/dbraw/zinc/72/07/78/1073720778.db2.gz XLBLSJHXDASARO-UHFFFAOYSA-N 0 2 411.483 3.553 20 0 HHADLN CC(C)(C)OC(=O)N1CCC2(CC1)C[N@H+](Cc1ccc(Cl)cc1C(=O)[O-])CCO2 ZINC001142647429 1073867999 /nfs/dbraw/zinc/86/79/99/1073867999.db2.gz WIMNOENSDIMYAX-UHFFFAOYSA-N 0 2 424.925 3.640 20 0 HHADLN CC(C)(C)OC(=O)N1CCC2(CC1)C[N@@H+](Cc1ccc(Cl)cc1C(=O)[O-])CCO2 ZINC001142647429 1073868018 /nfs/dbraw/zinc/86/80/18/1073868018.db2.gz WIMNOENSDIMYAX-UHFFFAOYSA-N 0 2 424.925 3.640 20 0 HHADLN CCc1c(C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)cnn1-c1ccc(C)cc1 ZINC000590554298 1073891160 /nfs/dbraw/zinc/89/11/60/1073891160.db2.gz BWRDNTJEXLUKGE-UHFFFAOYSA-N 0 2 419.510 3.944 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 ZINC000590762858 1073994408 /nfs/dbraw/zinc/99/44/08/1073994408.db2.gz WPIZJOWJANEAEP-UHFFFAOYSA-N 0 2 422.915 3.975 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)N[C@H](c2nccs2)C(F)(F)F)s1 ZINC000573025381 1074064019 /nfs/dbraw/zinc/06/40/19/1074064019.db2.gz HZQSDAPPDSCBOY-SSDOTTSWSA-N 0 2 421.285 3.857 20 0 HHADLN CCc1nc2c(s1)[C@@H](N(C)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1)CCC2 ZINC001126969684 1074161725 /nfs/dbraw/zinc/16/17/25/1074161725.db2.gz WWVAYNZIAPUPCJ-LBPRGKRZSA-N 0 2 415.437 3.627 20 0 HHADLN CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc3c(Cl)cccc3n2)c1 ZINC000573283254 1074315994 /nfs/dbraw/zinc/31/59/94/1074315994.db2.gz FKHBHVSUWPKPNT-UHFFFAOYSA-N 0 2 403.891 3.781 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cc3c(s2)CCCC3)o1)c1cc(F)c(F)c(F)c1 ZINC000573313945 1074358793 /nfs/dbraw/zinc/35/87/93/1074358793.db2.gz WRLIRPCZXZIWBP-UHFFFAOYSA-N 0 2 415.418 3.895 20 0 HHADLN O=C1CCCc2ccc(S(=O)(=O)Nc3nnc(Cc4ccc(F)cc4)s3)cc21 ZINC000573533961 1074521028 /nfs/dbraw/zinc/52/10/28/1074521028.db2.gz YEBHPGWBSVQXKU-UHFFFAOYSA-N 0 2 417.487 3.588 20 0 HHADLN O=S(=O)(CCOCC(F)(F)F)Nc1ccc(Cl)cc1OCC(F)(F)F ZINC000573889679 1074671645 /nfs/dbraw/zinc/67/16/45/1074671645.db2.gz JCJXJBJLBJTBPG-UHFFFAOYSA-N 0 2 415.739 3.602 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccccc1F)c1ccc(Br)cc1 ZINC000592360816 1074722432 /nfs/dbraw/zinc/72/24/32/1074722432.db2.gz MHZSFKCYULIOMZ-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN Cc1cc2sc(NS(=O)(=O)c3cc(C)cc(S(C)(=O)=O)c3C)nc2c(C)c1 ZINC000592974352 1075141641 /nfs/dbraw/zinc/14/16/41/1075141641.db2.gz UUSAUGQLDPWJRI-UHFFFAOYSA-N 0 2 424.569 3.734 20 0 HHADLN Cc1noc2ncc(S(=O)(=O)Nc3ccccc3NC(=O)C[C@H]3C=CCC3)cc12 ZINC000592986667 1075154421 /nfs/dbraw/zinc/15/44/21/1075154421.db2.gz LBYYETOYIXXNAQ-AWEZNQCLSA-N 0 2 412.471 3.627 20 0 HHADLN COCc1cc(Cl)cc(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)c1 ZINC000574329527 1075221936 /nfs/dbraw/zinc/22/19/36/1075221936.db2.gz CKSDJIYYNQAIDI-UHFFFAOYSA-N 0 2 402.925 3.638 20 0 HHADLN CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)n1 ZINC000574872052 1075399064 /nfs/dbraw/zinc/39/90/64/1075399064.db2.gz CFQYOIMZQUTBMB-UHFFFAOYSA-N 0 2 406.486 3.527 20 0 HHADLN CC(C)(CO)[C@@H](CNC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)c1ccccc1 ZINC000575171116 1075493241 /nfs/dbraw/zinc/49/32/41/1075493241.db2.gz QRMJGWCCRWIFIH-SFHVURJKSA-N 0 2 413.905 3.763 20 0 HHADLN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2nc(C)c(C(F)(F)F)s2)s1 ZINC000669606969 1075641986 /nfs/dbraw/zinc/64/19/86/1075641986.db2.gz KBXOOSHHLWNKKQ-ZCFIWIBFSA-N 0 2 413.468 3.530 20 0 HHADLN O=C([O-])C1(NC(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CCCCC1 ZINC000780395942 939115272 /nfs/dbraw/zinc/11/52/72/939115272.db2.gz BCNKAFNEDHYXNW-MRXNPFEDSA-N 0 2 411.905 3.703 20 0 HHADLN O=C([O-])[C@@H](NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000780397923 939116127 /nfs/dbraw/zinc/11/61/27/939116127.db2.gz KSOYJBBMOBQJAJ-HKUYNNGSSA-N 0 2 419.884 3.741 20 0 HHADLN O=C([O-])[C@H](NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000780397953 939116132 /nfs/dbraw/zinc/11/61/32/939116132.db2.gz KSOYJBBMOBQJAJ-PKOBYXMFSA-N 0 2 419.884 3.741 20 0 HHADLN CCc1cc(=O)[nH]c(-c2ccc(N3CCC[C@H]3c3nc(-c4ccccc4)n[nH]3)nc2)n1 ZINC000301988258 971144196 /nfs/dbraw/zinc/14/41/96/971144196.db2.gz ZYLQBLDNTGUMOE-SFHVURJKSA-N 0 2 413.485 3.933 20 0 HHADLN NC(=O)c1c[nH+]ccc1N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000302021913 971153736 /nfs/dbraw/zinc/15/37/36/971153736.db2.gz IMWUULTYCKEWEY-UHFFFAOYSA-N 0 2 412.946 3.885 20 0 HHADLN O=S(=O)(Nc1cccc(Oc2ccncc2)c1)c1c(Cl)nc2ccccn21 ZINC000303467403 971770225 /nfs/dbraw/zinc/77/02/25/971770225.db2.gz PSDCUYAYHRNHOR-UHFFFAOYSA-N 0 2 400.847 3.976 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccnn2-c2ccccc2C)cc1Cl ZINC000303632011 971912722 /nfs/dbraw/zinc/91/27/22/971912722.db2.gz QQJJRYGBFHSVHO-UHFFFAOYSA-N 0 2 422.869 3.732 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2cc(CCc3ccccc3C)n[nH]2)cc1OC ZINC000542221194 1013173641 /nfs/dbraw/zinc/17/36/41/1013173641.db2.gz WIAICDZGXDZJOQ-UHFFFAOYSA-N 0 2 415.515 3.630 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)c(SC)c(F)c1 ZINC000542236421 1013194097 /nfs/dbraw/zinc/19/40/97/1013194097.db2.gz ZIMPTVZFXCHARS-UHFFFAOYSA-N 0 2 407.847 3.928 20 0 HHADLN CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)s1 ZINC000001504223 960464870 /nfs/dbraw/zinc/46/48/70/960464870.db2.gz NBOSTAOGNMECKV-MDWZMJQESA-N 0 2 414.512 3.553 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 ZINC000542237424 1013196332 /nfs/dbraw/zinc/19/63/32/1013196332.db2.gz SUMOIKZKFOFCQA-GOSISDBHSA-N 0 2 417.535 3.685 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)ccc2SCC(F)(F)F)cn1 ZINC000537650935 1013211557 /nfs/dbraw/zinc/21/15/57/1013211557.db2.gz CLFZQBGYFZRFLA-UHFFFAOYSA-N 0 2 420.434 3.632 20 0 HHADLN CCCc1csc(NS(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)n1 ZINC000537652531 1013213968 /nfs/dbraw/zinc/21/39/68/1013213968.db2.gz VXZAOUIXYKOMSW-UHFFFAOYSA-N 0 2 415.606 3.663 20 0 HHADLN O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000009376318 961638661 /nfs/dbraw/zinc/63/86/61/961638661.db2.gz YKCLPNTZECRWLJ-UHFFFAOYSA-N 0 2 405.526 3.675 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2ccc(C)cc2O)cc1Cl ZINC000537739588 1013301490 /nfs/dbraw/zinc/30/14/90/1013301490.db2.gz NXXISMXGAMEOLD-UHFFFAOYSA-N 0 2 406.685 3.926 20 0 HHADLN Cc1cnc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O)s1 ZINC000011987321 962220356 /nfs/dbraw/zinc/22/03/56/962220356.db2.gz LMGUIVJRXQJKSM-UHFFFAOYSA-N 0 2 423.903 3.864 20 0 HHADLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cccc(Br)c1 ZINC000012225554 962256359 /nfs/dbraw/zinc/25/63/59/962256359.db2.gz KDEHHHPUIUVFTK-UHFFFAOYSA-N 0 2 406.305 3.800 20 0 HHADLN CN(C)c1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccco2)c3=O)cc1 ZINC000014061636 962414684 /nfs/dbraw/zinc/41/46/84/962414684.db2.gz GYOXAABEEHCECW-UHFFFAOYSA-N 0 2 420.494 3.645 20 0 HHADLN O=S(=O)(Nc1cc(C(F)(F)F)ccc1-n1cccn1)c1ccc(Cl)nc1 ZINC000014870956 962594446 /nfs/dbraw/zinc/59/44/46/962594446.db2.gz FJXSYGSOWXTZDR-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN O=S(=O)(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(F)cc1F ZINC000016150416 962963426 /nfs/dbraw/zinc/96/34/26/962963426.db2.gz QWKBQCRAJIDFJP-UHFFFAOYSA-N 0 2 404.442 3.751 20 0 HHADLN CC(=O)c1ccc(NC(=S)NNC(=O)c2ccc(COc3ccccc3)o2)cc1 ZINC000016240865 962988192 /nfs/dbraw/zinc/98/81/92/962988192.db2.gz DDIQBKSXPUBDHC-UHFFFAOYSA-N 0 2 409.467 3.693 20 0 HHADLN Cc1csc(C(C#N)C(=O)CSc2nnc(-c3ccco3)n2CC(C)C)n1 ZINC000020077937 963383366 /nfs/dbraw/zinc/38/33/66/963383366.db2.gz HAFHJPGODOFALD-ZDUSSCGKSA-N 0 2 401.517 3.928 20 0 HHADLN Cc1ccc(C)c(C(=O)COC(=O)CSc2[nH]c(=O)cc(C(F)(F)F)c2C#N)c1 ZINC000022165059 963601073 /nfs/dbraw/zinc/60/10/73/963601073.db2.gz LIAAEYGTLZRDHM-UHFFFAOYSA-N 0 2 424.400 3.813 20 0 HHADLN Cc1csc([C@H](C#N)C(=O)CCNC(=O)Nc2ccc(Br)cc2)n1 ZINC000048788745 964061237 /nfs/dbraw/zinc/06/12/37/964061237.db2.gz ZDQOJCLAJMAROS-CYBMUJFWSA-N 0 2 407.293 3.602 20 0 HHADLN Cc1csc(C(C#N)C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000048788718 964061604 /nfs/dbraw/zinc/06/16/04/964061604.db2.gz JUOSBNDUCARJLY-ZFWWWQNUSA-N 0 2 407.417 3.695 20 0 HHADLN Cc1csc([C@@H](C#N)C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000048788718 964061624 /nfs/dbraw/zinc/06/16/24/964061624.db2.gz JUOSBNDUCARJLY-ZFWWWQNUSA-N 0 2 407.417 3.695 20 0 HHADLN O=C(NNC(=O)C1(c2cccc(F)c2)CCC1)c1ccc(COc2ccccc2)o1 ZINC000025738334 964345517 /nfs/dbraw/zinc/34/55/17/964345517.db2.gz DFYNSRUPEAWLLR-UHFFFAOYSA-N 0 2 408.429 3.881 20 0 HHADLN Cc1ccc(-c2csc(C(C#N)C(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)n2)cc1 ZINC000051150667 964477615 /nfs/dbraw/zinc/47/76/15/964477615.db2.gz FSVDAYSQWPEGCT-SJLPKXTDSA-N 0 2 405.479 3.937 20 0 HHADLN Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)n2)cc1 ZINC000051150667 964477643 /nfs/dbraw/zinc/47/76/43/964477643.db2.gz FSVDAYSQWPEGCT-SJLPKXTDSA-N 0 2 405.479 3.937 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(Br)cc1Cl ZINC000051184156 964486789 /nfs/dbraw/zinc/48/67/89/964486789.db2.gz MQXCPPXPCKYESL-UHFFFAOYSA-N 0 2 412.696 3.673 20 0 HHADLN Cc1cccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)n1 ZINC000028194600 965055834 /nfs/dbraw/zinc/05/58/34/965055834.db2.gz PGPJWZZQMHEVRA-UHFFFAOYSA-N 0 2 416.506 3.884 20 0 HHADLN N#Cc1c(SCC(=O)OCc2cccc(F)c2F)[nH]c(=O)cc1C(F)(F)F ZINC000028307901 965072671 /nfs/dbraw/zinc/07/26/71/965072671.db2.gz FUEBUXUUONVCAX-UHFFFAOYSA-N 0 2 404.316 3.791 20 0 HHADLN CCCOc1ccc(NS(=O)(=O)c2ccsc2C(=O)OC)cc1OCCC ZINC000028778913 965179705 /nfs/dbraw/zinc/17/97/05/965179705.db2.gz KYBBFAFXNNRQGP-UHFFFAOYSA-N 0 2 413.517 3.913 20 0 HHADLN COc1ccccc1-c1cc(C(=O)NNC(=O)Cc2ccc3ccccc3c2)no1 ZINC000053607085 965229406 /nfs/dbraw/zinc/22/94/06/965229406.db2.gz BMGMXPUTGIISJB-UHFFFAOYSA-N 0 2 401.422 3.507 20 0 HHADLN CCCn1c(C)cc(/C=C(\C#N)C(=O)NNC(=O)c2cc(-c3ccccc3)on2)c1C ZINC000053723613 965256745 /nfs/dbraw/zinc/25/67/45/965256745.db2.gz ICHNFBFXJVQGMY-XDHOZWIPSA-N 0 2 417.469 3.538 20 0 HHADLN Cc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000057120045 965290865 /nfs/dbraw/zinc/29/08/65/965290865.db2.gz DBYPBQWTTQUNJW-UHFFFAOYSA-N 0 2 409.826 3.829 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CC(=O)NCCc4ccccc4)nc(=O)c3s2)cc1 ZINC000053852781 965293032 /nfs/dbraw/zinc/29/30/32/965293032.db2.gz IBFCPIDMGNAHQO-UHFFFAOYSA-N 0 2 419.506 3.562 20 0 HHADLN CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2Oc2cccnc2)cc1 ZINC000057121703 965294239 /nfs/dbraw/zinc/29/42/39/965294239.db2.gz SEAGDZHCHBWZFQ-UHFFFAOYSA-N 0 2 417.874 3.688 20 0 HHADLN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2sc(C)nc2-c2ccccc2)cc1 ZINC000538001337 1013575034 /nfs/dbraw/zinc/57/50/34/1013575034.db2.gz WWWCDFIEENNGCN-UHFFFAOYSA-N 0 2 422.553 3.713 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3scnc3-c3ccccc3)cc2C[C@@H]1C ZINC000538002446 1013577053 /nfs/dbraw/zinc/57/70/53/1013577053.db2.gz MNWVLMLEAVECPG-ZDUSSCGKSA-N 0 2 413.524 3.908 20 0 HHADLN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)o1 ZINC000030571859 965734414 /nfs/dbraw/zinc/73/44/14/965734414.db2.gz ZTWSFLBZVQMLHY-UHFFFAOYSA-N 0 2 412.537 3.508 20 0 HHADLN COc1cc(Cl)c(C)cc1NC(=O)CC1SC(N2CCC[C@@H](C)C2)=NC1=O ZINC000055117724 965761515 /nfs/dbraw/zinc/76/15/15/965761515.db2.gz QCVYNHTWZZTJQN-BZNIZROVSA-N 0 2 409.939 3.716 20 0 HHADLN Cc1nc(-c2ccc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)cc2)cs1 ZINC000055575826 965931389 /nfs/dbraw/zinc/93/13/89/965931389.db2.gz ZYABIGNAVKGWPE-UHFFFAOYSA-N 0 2 417.487 3.943 20 0 HHADLN COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1-c1nnc(C)o1 ZINC000058911890 965951602 /nfs/dbraw/zinc/95/16/02/965951602.db2.gz OZQHMPRUURIEEY-UHFFFAOYSA-N 0 2 424.276 3.617 20 0 HHADLN O=C1CCCc2cc(S(=O)(=O)Nc3cccnc3Oc3ccccc3)ccc2N1 ZINC000055636320 965982146 /nfs/dbraw/zinc/98/21/46/965982146.db2.gz CLXQASGUYGYQBV-UHFFFAOYSA-N 0 2 409.467 3.950 20 0 HHADLN CNC(=O)c1ccc(S(=O)(=O)Nc2cccnc2Oc2cccc(C)c2C)cc1 ZINC000055686254 966016956 /nfs/dbraw/zinc/01/69/56/966016956.db2.gz SULDPGTVQTUHMI-UHFFFAOYSA-N 0 2 411.483 3.651 20 0 HHADLN CCC(CC)CN(CC)C(=O)c1ccc2c(c1)[nH]c(=S)n(CCCOC)c2=O ZINC000059894647 966041435 /nfs/dbraw/zinc/04/14/35/966041435.db2.gz NHBAJAIPFRCGBF-UHFFFAOYSA-N 0 2 405.564 3.620 20 0 HHADLN Cc1cc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)c(C)n1-c1ccccc1 ZINC000032204151 966201501 /nfs/dbraw/zinc/20/15/01/966201501.db2.gz PERWOQZKDOTYEU-UHFFFAOYSA-N 0 2 400.438 3.824 20 0 HHADLN C[C@@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)[C@@H]1COc2ccccc21 ZINC000542726349 1013638590 /nfs/dbraw/zinc/63/85/90/1013638590.db2.gz AYYGBGKYKKBMAB-RISCZKNCSA-N 0 2 400.891 3.967 20 0 HHADLN O=C(NNC(=O)c1ccc(Oc2ccccc2)nc1)c1cc(-c2ccccc2)on1 ZINC000056293216 966291246 /nfs/dbraw/zinc/29/12/46/966291246.db2.gz FSRLYUCIFFTTGK-UHFFFAOYSA-N 0 2 400.394 3.604 20 0 HHADLN Cc1ccc(-c2csc(C(C#N)C(=O)Cc3ccc(-n4cnnn4)cc3)n2)cc1 ZINC000041511361 966583397 /nfs/dbraw/zinc/58/33/97/966583397.db2.gz XAPVDXSQGOJDGV-SFHVURJKSA-N 0 2 400.467 3.513 20 0 HHADLN Cc1ccc(-c2csc([C@@H](C#N)C(=O)Cc3ccc(-n4cnnn4)cc3)n2)cc1 ZINC000041511361 966583400 /nfs/dbraw/zinc/58/34/00/966583400.db2.gz XAPVDXSQGOJDGV-SFHVURJKSA-N 0 2 400.467 3.513 20 0 HHADLN Cc1csc([C@@H](C#N)C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 ZINC000041515801 966584146 /nfs/dbraw/zinc/58/41/46/966584146.db2.gz ADDNNBDDGYOYNF-AWEZNQCLSA-N 0 2 407.455 3.664 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000538094058 1013664257 /nfs/dbraw/zinc/66/42/57/1013664257.db2.gz OSVJNZLJEORPRE-UHFFFAOYSA-N 0 2 408.268 3.922 20 0 HHADLN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C1 ZINC000553868512 1013667638 /nfs/dbraw/zinc/66/76/38/1013667638.db2.gz VDAIAHSPVDVPBK-STQMWFEESA-N 0 2 406.939 3.504 20 0 HHADLN COc1ccc(-c2nc(SCc3cccc([N+](=O)[O-])c3C)[nH]c(=O)c2C#N)cc1 ZINC000042154747 966732788 /nfs/dbraw/zinc/73/27/88/966732788.db2.gz LBBGCXYGIFJKBA-UHFFFAOYSA-N 0 2 408.439 3.826 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cccc(NC(=O)OCC(C)C)c2)c1 ZINC000063181351 966769429 /nfs/dbraw/zinc/76/94/29/966769429.db2.gz RPSBODORZIEYAX-UHFFFAOYSA-N 0 2 424.450 3.618 20 0 HHADLN CSc1ccc(Cl)cc1NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000064374751 967160161 /nfs/dbraw/zinc/16/01/61/967160161.db2.gz ZBPXBKZAAGYCCV-UHFFFAOYSA-N 0 2 400.884 3.887 20 0 HHADLN O=S(=O)(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000064478075 967204179 /nfs/dbraw/zinc/20/41/79/967204179.db2.gz PFPZSQKPKYHFAA-UHFFFAOYSA-N 0 2 424.450 3.566 20 0 HHADLN Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000064478050 967204311 /nfs/dbraw/zinc/20/43/11/967204311.db2.gz BSWGHDRGOQAQLZ-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN CCc1ncc(C(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc32)s1 ZINC000065094888 967375393 /nfs/dbraw/zinc/37/53/93/967375393.db2.gz BZYVOEXANXYRRY-UHFFFAOYSA-N 0 2 402.479 3.996 20 0 HHADLN O=C(Nc1ccccc1-n1cncn1)c1[nH]nc(-c2ccccc2)c1Br ZINC000065106555 967379135 /nfs/dbraw/zinc/37/91/35/967379135.db2.gz HLWNMJJFPDFCHI-UHFFFAOYSA-N 0 2 409.247 3.672 20 0 HHADLN O=C(NCCc1cccs1)NNC(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000065201828 967403422 /nfs/dbraw/zinc/40/34/22/967403422.db2.gz DTSUGXVFZLBVLW-UHFFFAOYSA-N 0 2 406.920 3.712 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1n[nH]c(C2CC2)n1)c1ccccc1-c1ccno1 ZINC000542938757 1013772178 /nfs/dbraw/zinc/77/21/78/1013772178.db2.gz SCOFHBSTGRIBIG-UHFFFAOYSA-N 0 2 407.455 3.805 20 0 HHADLN CS(=O)(=O)c1ccc(F)c(S(=O)(=O)Nc2ccccc2Cc2ccccc2)c1 ZINC000047313078 968135376 /nfs/dbraw/zinc/13/53/76/968135376.db2.gz OOEPULSCCXJVEC-UHFFFAOYSA-N 0 2 419.499 3.621 20 0 HHADLN CCc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)cc1CC ZINC000538273356 1013812635 /nfs/dbraw/zinc/81/26/35/1013812635.db2.gz JCDPSKDEBLXXEN-UHFFFAOYSA-N 0 2 418.544 3.660 20 0 HHADLN COc1ccc(Cl)cc1-c1nc(SCc2nc(=O)c3sccc3[nH]2)n[nH]1 ZINC000068915206 968797294 /nfs/dbraw/zinc/79/72/94/968797294.db2.gz ZBCUWLRPJXRZFI-UHFFFAOYSA-N 0 2 405.892 3.724 20 0 HHADLN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000071826242 968865913 /nfs/dbraw/zinc/86/59/13/968865913.db2.gz VUCJTZJEKCYXQI-UHFFFAOYSA-N 0 2 416.421 3.868 20 0 HHADLN COc1ccc(-c2n[nH]c(NC(=O)c3cnc(-c4ccccc4)s3)n2)c(OC)c1 ZINC000109840146 969575040 /nfs/dbraw/zinc/57/50/40/969575040.db2.gz QLXHMGDGSHALHW-UHFFFAOYSA-N 0 2 407.455 3.865 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(Cl)nc1Cl ZINC000110212668 969638109 /nfs/dbraw/zinc/63/81/09/969638109.db2.gz CWIIFJCMMIBVOH-UHFFFAOYSA-N 0 2 422.721 3.679 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3c3cccc(N(C)C)c3)cc2[nH]c1=S ZINC000217230835 970084244 /nfs/dbraw/zinc/08/42/44/970084244.db2.gz UQGWOPSLLPSHEW-HXUWFJFHSA-N 0 2 422.554 3.748 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc2ncccc2c1 ZINC000223771183 970104816 /nfs/dbraw/zinc/10/48/16/970104816.db2.gz UGUKDMMPBAVPSV-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3ccc(Cl)c(NC(C)=O)c3)cc2[nH]c1=S ZINC000144928509 970247112 /nfs/dbraw/zinc/24/71/12/970247112.db2.gz YLPKDNMKFWOGAZ-UHFFFAOYSA-N 0 2 416.890 3.943 20 0 HHADLN O=C(Nc1ccccn1)c1cccc(NS(=O)(=O)c2cccnc2C(F)(F)F)c1 ZINC000554681688 1014010801 /nfs/dbraw/zinc/01/08/01/1014010801.db2.gz ISYHKBCXYMGMIP-UHFFFAOYSA-N 0 2 422.388 3.549 20 0 HHADLN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cnc(Cl)c(Br)c1 ZINC000318355835 972660674 /nfs/dbraw/zinc/66/06/74/972660674.db2.gz FIHYLDMNNOXZNC-UHFFFAOYSA-N 0 2 406.645 3.515 20 0 HHADLN CC(=O)Nc1cc(NS(=O)(=O)c2cc(Br)cnc2Cl)ccc1C ZINC000320401245 972680796 /nfs/dbraw/zinc/68/07/96/972680796.db2.gz VUHJOQJRCDUJIC-UHFFFAOYSA-N 0 2 418.700 3.565 20 0 HHADLN CCOc1ccc2nc(NS(=O)(=O)c3cncc(Br)c3)sc2c1 ZINC000320970633 972685531 /nfs/dbraw/zinc/68/55/31/972685531.db2.gz ZNOWWVTVCYEQBH-UHFFFAOYSA-N 0 2 414.306 3.653 20 0 HHADLN Cc1nnc(-c2ccccc2NS(=O)(=O)c2cc(Br)sc2C)o1 ZINC000321309843 972690396 /nfs/dbraw/zinc/69/03/96/972690396.db2.gz QTPYYUGDXUGMTE-UHFFFAOYSA-N 0 2 414.306 3.978 20 0 HHADLN COC(=O)CCCc1csc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)n1 ZINC000325385634 972731779 /nfs/dbraw/zinc/73/17/79/972731779.db2.gz YDXBJGCPWVMAEU-UHFFFAOYSA-N 0 2 409.316 3.746 20 0 HHADLN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000391278251 972838351 /nfs/dbraw/zinc/83/83/51/972838351.db2.gz DHYRQUPYMWQENA-UHFFFAOYSA-N 0 2 421.656 3.820 20 0 HHADLN Cc1nnc([C@H](C)NCc2cc(Br)c(O)c(Br)c2)s1 ZINC000391844054 972844292 /nfs/dbraw/zinc/84/42/92/972844292.db2.gz NQAUVLMLVFBGSY-LURJTMIESA-N 0 2 407.131 3.928 20 0 HHADLN Cc1nnc(-c2ccccc2NS(=O)(=O)c2ccc(F)cc2Br)o1 ZINC000391898947 972845711 /nfs/dbraw/zinc/84/57/11/972845711.db2.gz FFFAMQGUGQROOY-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN COC(=O)Cc1csc(NS(=O)(=O)c2c(C)c(Cl)cc(C)c2Cl)n1 ZINC000392090356 972847910 /nfs/dbraw/zinc/84/79/10/972847910.db2.gz BFCZGOTYMJLAEB-UHFFFAOYSA-N 0 2 409.316 3.583 20 0 HHADLN O=S(=O)(Nc1ncc(Cc2ccc(F)cc2)s1)c1cnn(-c2ccccc2)c1 ZINC000409536297 972992139 /nfs/dbraw/zinc/99/21/39/972992139.db2.gz PRCZKBCCYCIMFK-UHFFFAOYSA-N 0 2 414.487 3.860 20 0 HHADLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)N(CC)CC)cc3)sc2C1 ZINC000409536625 972993241 /nfs/dbraw/zinc/99/32/41/972993241.db2.gz MPGTYXKGIMRMCS-CQSZACIVSA-N 0 2 421.588 3.941 20 0 HHADLN O=C(COc1ccccc1F)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000409542250 972998478 /nfs/dbraw/zinc/99/84/78/972998478.db2.gz FVCQCUZLYSPZIV-UHFFFAOYSA-N 0 2 409.190 3.530 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)cc1 ZINC000409572049 973020667 /nfs/dbraw/zinc/02/06/67/973020667.db2.gz AHYQNFSZBXFVBK-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN CC(C)(C)c1cc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)n(C(C)(C)C)n1 ZINC000409579373 973028677 /nfs/dbraw/zinc/02/86/77/973028677.db2.gz CQTSQDUGBKOUIH-UHFFFAOYSA-N 0 2 407.536 3.898 20 0 HHADLN CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C(C)(C)C)nn3C(C)(C)C)ccc21 ZINC000409581679 973031676 /nfs/dbraw/zinc/03/16/76/973031676.db2.gz LZLCRSYSMXIELQ-UHFFFAOYSA-N 0 2 418.563 3.645 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(Br)cc2)n(-c2ccccc2F)n1 ZINC000409590458 973039521 /nfs/dbraw/zinc/03/95/21/973039521.db2.gz GWMIMWTYVFIWEY-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)C(C)(C)Cc3nc4ccccc4[nH]3)s[nH]2)c1 ZINC000409643754 973093721 /nfs/dbraw/zinc/09/37/21/973093721.db2.gz FPDQPIQWXZACPN-UHFFFAOYSA-N 0 2 407.499 3.719 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2nc(C3CC3)c(Cc3ccc(F)cc3)s2)cn1 ZINC000409672948 973134947 /nfs/dbraw/zinc/13/49/47/973134947.db2.gz VJVVYKQQXZCCNN-UHFFFAOYSA-N 0 2 406.508 3.768 20 0 HHADLN O=C(C[C@@H]1CCCCC(=O)N1)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000409708620 973180602 /nfs/dbraw/zinc/18/06/02/973180602.db2.gz KNKGJQDROLCKMP-INIZCTEOSA-N 0 2 422.510 3.807 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCC2CCC(F)(F)CC2)c(F)c1Cl ZINC000409882477 973348356 /nfs/dbraw/zinc/34/83/56/973348356.db2.gz BNDSNKLGHIBRAN-UHFFFAOYSA-N 0 2 416.824 3.680 20 0 HHADLN Cn1ncc2c1[nH]cc(C(=O)N1CCC(F)(c3ccccc3C(F)(F)F)CC1)c2=O ZINC000410094328 973566749 /nfs/dbraw/zinc/56/67/49/973566749.db2.gz INFBDICWNBZNFF-UHFFFAOYSA-N 0 2 422.382 3.794 20 0 HHADLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccccc2N(C)C2CCCC2)c1 ZINC000410330797 973904816 /nfs/dbraw/zinc/90/48/16/973904816.db2.gz QARGVSBTUMOFHB-UHFFFAOYSA-N 0 2 418.515 3.661 20 0 HHADLN CCOc1cccc(S(=O)(=O)Nc2nc(C3CCCC3)c(C(=O)OC)s2)c1 ZINC000410335415 973914454 /nfs/dbraw/zinc/91/44/54/973914454.db2.gz QDOJDHOSKYMCPM-UHFFFAOYSA-N 0 2 410.517 3.787 20 0 HHADLN O=C(Nc1cccc(NS(=O)(=O)c2cccc(Br)c2F)c1)C1CC1 ZINC000410368678 973963657 /nfs/dbraw/zinc/96/36/57/973963657.db2.gz WUVYZGOLUMUEQG-UHFFFAOYSA-N 0 2 413.268 3.738 20 0 HHADLN Cc1c(C[S@](C)=O)cccc1NS(=O)(=O)c1cccc(Br)c1F ZINC000410384272 973982673 /nfs/dbraw/zinc/98/26/73/973982673.db2.gz PVPQGFAQPLWAPY-QFIPXVFZSA-N 0 2 420.325 3.576 20 0 HHADLN CCn1ncc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1C(F)(F)F ZINC000410407188 974006492 /nfs/dbraw/zinc/00/64/92/974006492.db2.gz OHYRJOKHRSIACZ-UHFFFAOYSA-N 0 2 417.331 3.664 20 0 HHADLN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000410407851 974007102 /nfs/dbraw/zinc/00/71/02/974007102.db2.gz QBSCSDJNWNROFG-INIZCTEOSA-N 0 2 422.572 3.764 20 0 HHADLN O=C([O-])[C@@H]([NH2+]Cc1cnc(-c2ccccn2)s1)c1ccc(Br)cc1 ZINC000426809255 974676829 /nfs/dbraw/zinc/67/68/29/974676829.db2.gz COXLVISZGYBERG-HNNXBMFYSA-N 0 2 404.289 3.883 20 0 HHADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000426888188 974733030 /nfs/dbraw/zinc/73/30/30/974733030.db2.gz FCZFUXMUNVEWKQ-QGZVFWFLSA-N 0 2 401.850 3.646 20 0 HHADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000427035047 974845818 /nfs/dbraw/zinc/84/58/18/974845818.db2.gz QUGGXMJUDPUXTR-GOSISDBHSA-N 0 2 408.889 3.509 20 0 HHADLN COC(=O)c1ccc(C)c(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 ZINC000427108219 974909511 /nfs/dbraw/zinc/90/95/11/974909511.db2.gz NANOGHZQLFGQJO-UHFFFAOYSA-N 0 2 407.341 3.620 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1)C1CC1 ZINC000427111113 974912060 /nfs/dbraw/zinc/91/20/60/974912060.db2.gz PJEIJSJBQYLKSL-UHFFFAOYSA-N 0 2 418.368 3.874 20 0 HHADLN CC(C)NC(=O)c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1 ZINC000427111953 974912875 /nfs/dbraw/zinc/91/28/75/974912875.db2.gz XQHQURWMLDBTKP-UHFFFAOYSA-N 0 2 420.384 3.663 20 0 HHADLN Cc1nc(-c2cccc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3F)c2)n[nH]1 ZINC000427136508 974932702 /nfs/dbraw/zinc/93/27/02/974932702.db2.gz KRYMBMUCOXMSOU-UHFFFAOYSA-N 0 2 416.356 3.619 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccc2F)c1)c1cccc(OC(F)(F)F)c1F ZINC000427283181 975024090 /nfs/dbraw/zinc/02/40/90/975024090.db2.gz WVDHTEMNVAXXBC-UHFFFAOYSA-N 0 2 419.331 3.850 20 0 HHADLN CN1Cc2cc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3F)ccc2NC1=O ZINC000427302438 975038142 /nfs/dbraw/zinc/03/81/42/975038142.db2.gz QAXXGTZSJKVDEO-UHFFFAOYSA-N 0 2 419.356 3.502 20 0 HHADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1nc(C(C)(C)C)co1 ZINC000427761668 975274616 /nfs/dbraw/zinc/27/46/16/975274616.db2.gz PSUSBDZXVBGJHJ-UHFFFAOYSA-N 0 2 403.298 3.852 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2C)cnn1C ZINC000427766925 975277240 /nfs/dbraw/zinc/27/72/40/975277240.db2.gz ORERNQOANRGNMR-UHFFFAOYSA-N 0 2 401.536 3.629 20 0 HHADLN CCOC(=O)c1cc(COC)cc(S(=O)(=O)Nc2ccnn2[C@H](C)CC(C)C)c1 ZINC000427769580 975278770 /nfs/dbraw/zinc/27/87/70/975278770.db2.gz VJMWFPVOPQKAIS-OAHLLOKOSA-N 0 2 423.535 3.614 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nc(C3CC3)c(Cc3ccc(F)cc3)s2)cnn1C ZINC000427775251 975282126 /nfs/dbraw/zinc/28/21/26/975282126.db2.gz FURUVKJJBMZIER-UHFFFAOYSA-N 0 2 406.508 3.593 20 0 HHADLN CC(C)(C)c1coc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)n1 ZINC000427778238 975283155 /nfs/dbraw/zinc/28/31/55/975283155.db2.gz IIKYHNMRHAKTPY-LBPRGKRZSA-N 0 2 414.911 3.842 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)cnn1C ZINC000427797205 975293995 /nfs/dbraw/zinc/29/39/95/975293995.db2.gz JZYXSHRAUODAKE-UHFFFAOYSA-N 0 2 400.485 3.931 20 0 HHADLN CC(C)n1cnnc1CN(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 ZINC000429289453 976569743 /nfs/dbraw/zinc/56/97/43/976569743.db2.gz QCUIAJWMRVAIHV-UHFFFAOYSA-N 0 2 412.494 3.595 20 0 HHADLN CN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)nc1 ZINC000430369233 977506496 /nfs/dbraw/zinc/50/64/96/977506496.db2.gz NUJRJJATOAUPBE-UHFFFAOYSA-N 0 2 415.902 3.808 20 0 HHADLN CCCC[C@@H](NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)C(=O)OC ZINC000430565867 977634688 /nfs/dbraw/zinc/63/46/88/977634688.db2.gz BDFFGIWOQUBCCC-HXUWFJFHSA-N 0 2 408.454 3.782 20 0 HHADLN O=C(NCc1cccc2c1OCO2)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430661220 977673559 /nfs/dbraw/zinc/67/35/59/977673559.db2.gz AHSMILGXMDCUGN-UHFFFAOYSA-N 0 2 414.417 3.979 20 0 HHADLN CC1(C)[C@H](NC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)[C@@H]2CCO[C@@H]21 ZINC000430663468 977675132 /nfs/dbraw/zinc/67/51/32/977675132.db2.gz JRTXLQLBTHAXOO-USCONSEESA-N 0 2 404.466 3.864 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N[C@@H](Cc2nc(C)no2)c2ccccc2)=N1 ZINC000430683951 977693563 /nfs/dbraw/zinc/69/35/63/977693563.db2.gz LQZGPHXUEHYDDJ-SFHVURJKSA-N 0 2 417.469 3.546 20 0 HHADLN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)s1 ZINC000431147451 978049880 /nfs/dbraw/zinc/04/98/80/978049880.db2.gz UUHOKXJMMOWHNB-UHFFFAOYSA-N 0 2 406.451 3.766 20 0 HHADLN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)s1 ZINC000431173053 978073178 /nfs/dbraw/zinc/07/31/78/978073178.db2.gz NQFMQMSVWKWXBC-UHFFFAOYSA-N 0 2 410.586 3.663 20 0 HHADLN CCSc1nnc(NS(=O)(=O)c2cc(Br)ccc2Cl)s1 ZINC000431316750 978201837 /nfs/dbraw/zinc/20/18/37/978201837.db2.gz BNHOMELPHSNFML-UHFFFAOYSA-N 0 2 414.759 3.867 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)cc1 ZINC000431318831 978204576 /nfs/dbraw/zinc/20/45/76/978204576.db2.gz JZVZBKQFNQIQME-UHFFFAOYSA-N 0 2 417.512 3.799 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)c1 ZINC000431328741 978214155 /nfs/dbraw/zinc/21/41/55/978214155.db2.gz OMFXFCIGPNLMLQ-UHFFFAOYSA-N 0 2 405.501 3.640 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(N3CCOCC3)nc2C)c1Cl ZINC000431332703 978216911 /nfs/dbraw/zinc/21/69/11/978216911.db2.gz MYSLKAUMRIBTCP-UHFFFAOYSA-N 0 2 416.330 3.643 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2cc(C)c(C)s2)cc(Br)c1F ZINC000431913550 978597123 /nfs/dbraw/zinc/59/71/23/978597123.db2.gz UYXFIRTUBXQFQN-UHFFFAOYSA-N 0 2 422.297 3.854 20 0 HHADLN O=S(=O)(Nc1cnn(CC(F)(F)F)c1)c1ccc(Cl)c(Br)c1 ZINC000432055271 978662985 /nfs/dbraw/zinc/66/29/85/978662985.db2.gz PQHZLNBNANNDDP-UHFFFAOYSA-N 0 2 418.622 3.662 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3ccc4nc(C5CC5)oc4c3)c(F)cc2N1 ZINC000432193575 978708164 /nfs/dbraw/zinc/70/81/64/978708164.db2.gz VVOGLPIDIZRJQD-UHFFFAOYSA-N 0 2 401.419 3.530 20 0 HHADLN O=C(NC[C@@H]1CCC(F)(F)C1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000432200986 978711151 /nfs/dbraw/zinc/71/11/51/978711151.db2.gz CWKRZSZRZBZHLO-LLVKDONJSA-N 0 2 416.475 3.501 20 0 HHADLN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2cnccc2-c2ccccc2)c1 ZINC000432351766 978772661 /nfs/dbraw/zinc/77/26/61/978772661.db2.gz QNNOMZLWBICDDB-UHFFFAOYSA-N 0 2 400.431 3.784 20 0 HHADLN Cc1occc1-c1nnc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)o1 ZINC000432366335 978780254 /nfs/dbraw/zinc/78/02/54/978780254.db2.gz AHULCWAUBXELOU-UHFFFAOYSA-N 0 2 418.656 3.855 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)c1C ZINC000432371254 978782277 /nfs/dbraw/zinc/78/22/77/978782277.db2.gz XTSWEMFEODSLIG-UHFFFAOYSA-N 0 2 406.460 3.845 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CC[C@](C)(c4ccc(F)cc4)C3)s[nH]2)c1 ZINC000432429417 978808617 /nfs/dbraw/zinc/80/86/17/978808617.db2.gz GBISLVJYZBDODZ-NRFANRHFSA-N 0 2 412.490 3.970 20 0 HHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)s1 ZINC000432470534 978831306 /nfs/dbraw/zinc/83/13/06/978831306.db2.gz UEZYCLHPDBJYAR-UHFFFAOYSA-N 0 2 421.544 3.681 20 0 HHADLN CC(C)Oc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)ccc1C(N)=O ZINC000432489600 978844372 /nfs/dbraw/zinc/84/43/72/978844372.db2.gz MCMJBIMPNWPUNY-UHFFFAOYSA-N 0 2 420.384 3.531 20 0 HHADLN Cc1cnc(C2CCN(C(=O)C3=NN(c4ccc(F)cc4C)CC3=O)CC2)s1 ZINC000432494632 978847722 /nfs/dbraw/zinc/84/77/22/978847722.db2.gz OALAQGIQUXDVOH-UHFFFAOYSA-N 0 2 400.479 3.810 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)cc1F ZINC000432529959 978867088 /nfs/dbraw/zinc/86/70/88/978867088.db2.gz DZKWCNNXZPMKLX-HNNXBMFYSA-N 0 2 419.503 3.955 20 0 HHADLN Cn1nc(-c2ccc(F)cc2F)cc1NS(=O)(=O)c1cccc2cnccc21 ZINC000432957000 979023852 /nfs/dbraw/zinc/02/38/52/979023852.db2.gz CIWZVOGZRYPNMV-UHFFFAOYSA-N 0 2 400.410 3.714 20 0 HHADLN O=S(=O)(Nc1noc(Cc2ccccc2)n1)c1ccc(OC(F)F)c(Cl)c1 ZINC000432966700 979028029 /nfs/dbraw/zinc/02/80/29/979028029.db2.gz MMMDQWJZPSDIMB-UHFFFAOYSA-N 0 2 415.805 3.716 20 0 HHADLN CC(C)[C@H]1N(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC12CCC2 ZINC000433001701 979038225 /nfs/dbraw/zinc/03/82/25/979038225.db2.gz IZPSBSWRRWKBDL-MRXNPFEDSA-N 0 2 420.560 3.986 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)c1 ZINC000433122494 979085010 /nfs/dbraw/zinc/08/50/10/979085010.db2.gz QUFQEYYJSFMGFF-UHFFFAOYSA-N 0 2 423.878 3.965 20 0 HHADLN O=S(=O)(Nc1nccc(-c2cncc(F)c2)n1)c1ccc(F)cc1C(F)(F)F ZINC000433168870 979113401 /nfs/dbraw/zinc/11/34/01/979113401.db2.gz ULLYGRREQOMQMA-UHFFFAOYSA-N 0 2 416.331 3.636 20 0 HHADLN C[S@@](=O)c1ccc(NS(=O)(=O)c2cc(Br)sc2Cl)cc1 ZINC000433613469 979425708 /nfs/dbraw/zinc/42/57/08/979425708.db2.gz WNIAALVRHXZMDB-LJQANCHMSA-N 0 2 414.755 3.702 20 0 HHADLN Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000434153604 979915048 /nfs/dbraw/zinc/91/50/48/979915048.db2.gz KQLPISOVHWUHJR-HNNXBMFYSA-N 0 2 404.499 4.385 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)ccc1Br ZINC000434967428 980537707 /nfs/dbraw/zinc/53/77/07/980537707.db2.gz GVUDSWMESNEJPE-UHFFFAOYSA-N 0 2 408.277 3.649 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2cc(F)ccc2-n2cccn2)c1Br ZINC000435132645 980664053 /nfs/dbraw/zinc/66/40/53/980664053.db2.gz YXGVQEYZSAOEEJ-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN O=S(=O)(Nc1ccccc1O[C@@H]1CCOC1)c1cc(F)ccc1Br ZINC000435140853 980672692 /nfs/dbraw/zinc/67/26/92/980672692.db2.gz WCWXUKPEGZDHPT-GFCCVEGCSA-N 0 2 416.268 3.557 20 0 HHADLN COc1cc(S(=O)(=O)Nc2c(C)cccc2OC)c(OC)cc1Br ZINC000435720356 981001917 /nfs/dbraw/zinc/00/19/17/981001917.db2.gz XEHODVANWCVARW-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN CO[C@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000436005760 981148815 /nfs/dbraw/zinc/14/88/15/981148815.db2.gz HMGPGERTABIYGS-SNVBAGLBSA-N 0 2 420.384 3.619 20 0 HHADLN O=S(=O)(Nc1cccc(OC[C@H]2CCCO2)c1)c1cnc(-c2ccccc2)nc1 ZINC000436013751 981155328 /nfs/dbraw/zinc/15/53/28/981155328.db2.gz OCCXPOLEZQHHQM-LJQANCHMSA-N 0 2 411.483 3.502 20 0 HHADLN CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000436019124 981158991 /nfs/dbraw/zinc/15/89/91/981158991.db2.gz GWQGWELEWDGSDH-UHFFFAOYSA-N 0 2 402.863 3.556 20 0 HHADLN CCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)ccc21 ZINC000436173905 981234461 /nfs/dbraw/zinc/23/44/61/981234461.db2.gz TXVRPUSBAVLKOL-UHFFFAOYSA-N 0 2 416.396 3.944 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(C)c(Br)c1 ZINC000436178503 981237286 /nfs/dbraw/zinc/23/72/86/981237286.db2.gz VIKSJMUJJJFRLP-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)=N2)cc1 ZINC000436232954 981261681 /nfs/dbraw/zinc/26/16/81/981261681.db2.gz QOTJEUNLDGYZOT-MOPGFXCFSA-N 0 2 424.545 3.612 20 0 HHADLN Cc1csc(Oc2ccc(NS(=O)(=O)c3cnn(CC(F)F)c3)cc2F)n1 ZINC000436479234 981394523 /nfs/dbraw/zinc/39/45/23/981394523.db2.gz TUXVAESNMZOPAC-UHFFFAOYSA-N 0 2 418.422 3.645 20 0 HHADLN CS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CC1 ZINC000436498889 981402642 /nfs/dbraw/zinc/40/26/42/981402642.db2.gz XVDFLQIOZBTQHP-INIZCTEOSA-N 0 2 407.919 3.752 20 0 HHADLN COc1ccc(O)c(-c2nc(-c3nc(-c4cccc(Br)c4)n[nH]3)no2)c1 ZINC000436521450 981415122 /nfs/dbraw/zinc/41/51/22/981415122.db2.gz MUYQFTQLXZUWHG-UHFFFAOYSA-N 0 2 414.219 3.665 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000436523830 981416791 /nfs/dbraw/zinc/41/67/91/981416791.db2.gz CSFBAGTXJTWHPN-CQSZACIVSA-N 0 2 416.758 3.517 20 0 HHADLN CCC[C@H](NC(=O)c1cc(F)c(O)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000436526577 981419040 /nfs/dbraw/zinc/41/90/40/981419040.db2.gz AIXPTEWAMDMSCF-IBGZPJMESA-N 0 2 417.456 3.808 20 0 HHADLN C[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)c1cc2c(cc1Br)OCCO2 ZINC000436526681 981419436 /nfs/dbraw/zinc/41/94/36/981419436.db2.gz BCBDRLBOZKRGDC-MRVPVSSYSA-N 0 2 414.202 3.695 20 0 HHADLN O=C(c1cc(-c2ccccc2)cc(Cl)c1O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000436528458 981420958 /nfs/dbraw/zinc/42/09/58/981420958.db2.gz LQLXVGQKJZFBFV-UHFFFAOYSA-N 0 2 422.794 3.979 20 0 HHADLN CN(C(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O)c1cccnc1 ZINC000436547071 981434070 /nfs/dbraw/zinc/43/40/70/981434070.db2.gz QADQDDNRHVTYMQ-UHFFFAOYSA-N 0 2 417.874 3.518 20 0 HHADLN COc1cccc(OC)c1OC1CCN(C(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000436634480 981484901 /nfs/dbraw/zinc/48/49/01/981484901.db2.gz OZWIJKNSEGBALE-UHFFFAOYSA-N 0 2 409.841 3.886 20 0 HHADLN CSc1nnc(CCCNC(=O)c2cc(F)cc(Cl)c2O)n1C1CCCC1 ZINC000436635578 981485770 /nfs/dbraw/zinc/48/57/70/981485770.db2.gz LXMWHUVIAAOUIT-UHFFFAOYSA-N 0 2 412.918 3.976 20 0 HHADLN COc1ccc(NC(=O)c2ccc(O)cc2)c(NS(=O)(=O)c2ccsc2)c1 ZINC000436670590 981502764 /nfs/dbraw/zinc/50/27/64/981502764.db2.gz FYCUAURBSAVKBA-UHFFFAOYSA-N 0 2 404.469 3.515 20 0 HHADLN CCOc1ccc(C(=O)N2CCC(NC(=O)c3cc(F)cc(Cl)c3O)CC2)cc1 ZINC000436770452 981554565 /nfs/dbraw/zinc/55/45/65/981554565.db2.gz MLNBXGFPIHQKQF-UHFFFAOYSA-N 0 2 420.868 3.618 20 0 HHADLN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1 ZINC000436773668 981555668 /nfs/dbraw/zinc/55/56/68/981555668.db2.gz PZEQPMQIRIWUHA-SNVBAGLBSA-N 0 2 412.248 3.724 20 0 HHADLN O=C(N[C@H]1CCO[C@@]2(CCSC2)C1)c1cc(Cl)cc(Br)c1O ZINC000436808157 981570709 /nfs/dbraw/zinc/57/07/09/981570709.db2.gz NGTNCQSTSJMJEH-BONVTDFDSA-N 0 2 406.729 3.593 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N(CCO)Cc1cc(Br)cs1 ZINC000436818765 981575203 /nfs/dbraw/zinc/57/52/03/981575203.db2.gz BQRUQFZCIRWEDE-UHFFFAOYSA-N 0 2 408.676 3.643 20 0 HHADLN Cc1cccc(NC(=O)CN(C)C(=O)c2cc(F)cc(Br)c2O)c1C ZINC000436846541 981587282 /nfs/dbraw/zinc/58/72/82/981587282.db2.gz HNONHYQKRZUINN-UHFFFAOYSA-N 0 2 409.255 3.621 20 0 HHADLN O=C(NCc1ccc(-n2ccnc2)c(F)c1)c1cc(F)cc(Br)c1O ZINC000436846628 981587301 /nfs/dbraw/zinc/58/73/01/981587301.db2.gz IEDNEVVCXJVBDV-UHFFFAOYSA-N 0 2 408.202 3.549 20 0 HHADLN CCn1c(CCNC(=O)c2cc(F)cc(Br)c2O)nc2ccccc21 ZINC000436847688 981588460 /nfs/dbraw/zinc/58/84/60/981588460.db2.gz GJDLWMYGNZCGLC-UHFFFAOYSA-N 0 2 406.255 3.636 20 0 HHADLN O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cc(F)cc(Br)c2O)C1 ZINC000436850659 981590137 /nfs/dbraw/zinc/59/01/37/981590137.db2.gz IXBXLNFHAIUCNU-LBPRGKRZSA-N 0 2 421.266 3.785 20 0 HHADLN Cn1cc(CNC(=O)c2cc(F)cc(Br)c2O)c(-c2ccccc2)n1 ZINC000436850998 981590835 /nfs/dbraw/zinc/59/08/35/981590835.db2.gz KDJSXVPUTPGQAZ-UHFFFAOYSA-N 0 2 404.239 3.624 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc(/C=C/c3ccccc3)cs2)ccc1O ZINC000436851315 981590871 /nfs/dbraw/zinc/59/08/71/981590871.db2.gz LOLCALZLOLYBGA-BQYQJAHWSA-N 0 2 416.480 3.607 20 0 HHADLN CCCCCC(=O)NC1CCN(C(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436852782 981591338 /nfs/dbraw/zinc/59/13/38/981591338.db2.gz BETQCWXTESPOBU-UHFFFAOYSA-N 0 2 415.303 3.595 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000436866089 981596880 /nfs/dbraw/zinc/59/68/80/981596880.db2.gz WMMJXOICGGDJMD-LJQANCHMSA-N 0 2 406.251 3.608 20 0 HHADLN CC(=O)c1ccc(O)c(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1 ZINC000436866727 981597074 /nfs/dbraw/zinc/59/70/74/981597074.db2.gz YOHCMJOLSAQWHV-UHFFFAOYSA-N 0 2 410.451 3.648 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(O)c(-c3nc(CCC(C)C)no3)c2)cc1 ZINC000436886204 981601447 /nfs/dbraw/zinc/60/14/47/981601447.db2.gz GFTJBUWQASRLIW-UHFFFAOYSA-N 0 2 417.487 3.840 20 0 HHADLN O=S(=O)(c1ccc(O)c(-c2nc(-c3cc4ccccc4o3)no2)c1)N1CCCC1 ZINC000436893480 981603776 /nfs/dbraw/zinc/60/37/76/981603776.db2.gz BFYLIKIBJKWKDH-UHFFFAOYSA-N 0 2 411.439 3.640 20 0 HHADLN Cc1nc(C[N@@H+](C)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3[O-])CC2)no1 ZINC000436918253 981622970 /nfs/dbraw/zinc/62/29/70/981622970.db2.gz FSBUJHATNLRWQZ-GFCCVEGCSA-N 0 2 413.305 3.517 20 0 HHADLN Cc1nc(C[N@H+](C)[C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3[O-])CC2)no1 ZINC000436918253 981622974 /nfs/dbraw/zinc/62/29/74/981622974.db2.gz FSBUJHATNLRWQZ-GFCCVEGCSA-N 0 2 413.305 3.517 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(O)c(-c2nc([C@@H]3CCCO3)no2)c1 ZINC000436932995 981631885 /nfs/dbraw/zinc/63/18/85/981631885.db2.gz AMCJYQRKKUGSQO-INIZCTEOSA-N 0 2 421.862 3.748 20 0 HHADLN CC(=O)c1ccc(O)c(NS(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)c1 ZINC000436939127 981634667 /nfs/dbraw/zinc/63/46/67/981634667.db2.gz MLULWFPWKBSIME-UHFFFAOYSA-N 0 2 409.423 3.599 20 0 HHADLN Cc1ccccc1[C@@H](C)c1noc(-c2cc(S(=O)(=O)N3CCCC3)ccc2O)n1 ZINC000436958164 981647098 /nfs/dbraw/zinc/64/70/98/981647098.db2.gz ZYOHSTPXOYHPAD-OAHLLOKOSA-N 0 2 413.499 3.687 20 0 HHADLN CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436962766 981650191 /nfs/dbraw/zinc/65/01/91/981650191.db2.gz BECPSPXHXVYSHI-VBKZILBWSA-N 0 2 403.473 3.747 20 0 HHADLN CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)c([O-])c(F)c1 ZINC000436962766 981650193 /nfs/dbraw/zinc/65/01/93/981650193.db2.gz BECPSPXHXVYSHI-VBKZILBWSA-N 0 2 403.473 3.747 20 0 HHADLN O=C(N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1cc(F)c(O)c(F)c1 ZINC000436962764 981650338 /nfs/dbraw/zinc/65/03/38/981650338.db2.gz BDOWEGXDLWLSEF-LJQANCHMSA-N 0 2 409.392 3.966 20 0 HHADLN Cc1c(NC(=O)c2cc(F)cc(Br)c2O)cccc1NC(=O)N(C)C ZINC000437001637 981678401 /nfs/dbraw/zinc/67/84/01/981678401.db2.gz OSKXGKDESAVTGA-UHFFFAOYSA-N 0 2 410.243 3.948 20 0 HHADLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3nnc(Cc4cccc(Cl)c4)s3)ccc2O1 ZINC000437173735 981829083 /nfs/dbraw/zinc/82/90/83/981829083.db2.gz UWIXJCFBVOYPHA-LLVKDONJSA-N 0 2 421.931 3.907 20 0 HHADLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCC3)s1 ZINC000437180560 981837238 /nfs/dbraw/zinc/83/72/38/981837238.db2.gz NTGZJZAOSBEOFR-UHFFFAOYSA-N 0 2 408.549 3.542 20 0 HHADLN Cc1cc(I)cnc1NS(=O)(=O)c1cccc2ccccc21 ZINC000437180987 981837498 /nfs/dbraw/zinc/83/74/98/981837498.db2.gz OUMMSKADIVWIOI-UHFFFAOYSA-N 0 2 424.263 3.949 20 0 HHADLN CCCCCc1nnc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)OC)s1 ZINC000437181180 981838513 /nfs/dbraw/zinc/83/85/13/981838513.db2.gz PVQDUDWYTOXZML-UHFFFAOYSA-N 0 2 403.913 3.512 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)ccc1F ZINC000437181147 981838672 /nfs/dbraw/zinc/83/86/72/981838672.db2.gz GLKZNUQILSTNQG-UHFFFAOYSA-N 0 2 412.512 3.559 20 0 HHADLN O=S(=O)(Nc1noc(-c2ccccc2Cl)n1)c1ccccc1Br ZINC000448538646 981866825 /nfs/dbraw/zinc/86/68/25/981866825.db2.gz PZWQGHSBLKYOMY-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN CC(C)[C@@H](CO)N(Cc1ccccc1)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000460130140 981904619 /nfs/dbraw/zinc/90/46/19/981904619.db2.gz LOAAQOQMPAICNH-MRXNPFEDSA-N 0 2 402.545 3.740 20 0 HHADLN CC[C@H]1CCc2nc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)sc2C1 ZINC000437311966 981964667 /nfs/dbraw/zinc/96/46/67/981964667.db2.gz XJUYIHUFNCQHLJ-LBPRGKRZSA-N 0 2 406.508 3.784 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(C(C)C)cs2)c(Br)c1 ZINC000437322821 981973871 /nfs/dbraw/zinc/97/38/71/981973871.db2.gz FISPSCCGONRQDQ-UHFFFAOYSA-N 0 2 419.322 3.616 20 0 HHADLN CC(C)(C)c1cnc(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)s1 ZINC000437324096 981974795 /nfs/dbraw/zinc/97/47/95/981974795.db2.gz PHFLMGSODIETNO-UHFFFAOYSA-N 0 2 421.466 3.534 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)[N-]c2ccc(-n3cc[nH+]c3)c(F)c2)s1 ZINC000437326234 981977582 /nfs/dbraw/zinc/97/75/82/981977582.db2.gz SYGXVULZGAPIRW-UHFFFAOYSA-N 0 2 416.297 3.945 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)c1 ZINC000437335190 981985837 /nfs/dbraw/zinc/98/58/37/981985837.db2.gz GYWMMWJDFIPCOP-UHFFFAOYSA-N 0 2 422.915 3.975 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)cc1C ZINC000437337257 981987440 /nfs/dbraw/zinc/98/74/40/981987440.db2.gz AFDZDOLSGJLASU-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN CC(C)n1cc(S(=O)(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)cn1 ZINC000437343881 981993566 /nfs/dbraw/zinc/99/35/66/981993566.db2.gz QYPXMWNXQMHCLM-UHFFFAOYSA-N 0 2 420.438 3.816 20 0 HHADLN O=S(=O)(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cnn(-c2ccccc2F)c1 ZINC000437389557 982034038 /nfs/dbraw/zinc/03/40/38/982034038.db2.gz DOWURQYHZUZICC-UHFFFAOYSA-N 0 2 417.853 3.651 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccnc(-c3ccccc3)c2)cn1 ZINC000437402631 982046352 /nfs/dbraw/zinc/04/63/52/982046352.db2.gz CNGYHICUTUNBCP-UHFFFAOYSA-N 0 2 406.467 3.744 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)n(-c2ccc(F)cc2)n1 ZINC000437413274 982055303 /nfs/dbraw/zinc/05/53/03/982055303.db2.gz ZJPZGFKXMHUFEG-UHFFFAOYSA-N 0 2 401.463 3.959 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc(C)c(Cc3ccc(C)cc3)s2)cs1 ZINC000437414114 982055944 /nfs/dbraw/zinc/05/59/44/982055944.db2.gz SNJPHBTXQAKFSW-UHFFFAOYSA-N 0 2 422.553 4.000 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)ccc1Br ZINC000460423275 982210827 /nfs/dbraw/zinc/21/08/27/982210827.db2.gz SHRYRQFIDXYCFT-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccccc2CC)nc1C(F)(F)F ZINC000460536106 982323851 /nfs/dbraw/zinc/32/38/51/982323851.db2.gz VIRPKZUIDSYMQM-UHFFFAOYSA-N 0 2 408.423 3.702 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)c(F)c2)o1)c1cccc(Br)c1 ZINC000460541402 982328284 /nfs/dbraw/zinc/32/82/84/982328284.db2.gz DPGLERDLLNLMFU-UHFFFAOYSA-N 0 2 416.203 3.578 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3ccc(F)c(F)c3)o2)c(Cl)cc1F ZINC000460542093 982328947 /nfs/dbraw/zinc/32/89/47/982328947.db2.gz IFGZOZLNEYFRFO-UHFFFAOYSA-N 0 2 403.769 3.917 20 0 HHADLN C[C@@H](NC(=O)N=c1nc(C(C)(C)C)[nH]s1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000437794756 982361327 /nfs/dbraw/zinc/36/13/27/982361327.db2.gz DRAXUXRGGREYII-RHSMWYFYSA-N 0 2 418.563 3.704 20 0 HHADLN C[C@H](NC(=O)N=c1nc(C(C)(C)C)[nH]s1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000437794764 982361352 /nfs/dbraw/zinc/36/13/52/982361352.db2.gz DRAXUXRGGREYII-YOEHRIQHSA-N 0 2 418.563 3.704 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ncccc2C(=O)c2ccc(F)cc2)cc1C ZINC000460578947 982363522 /nfs/dbraw/zinc/36/35/22/982363522.db2.gz YNCKMPGIIKKOGL-UHFFFAOYSA-N 0 2 400.431 3.570 20 0 HHADLN Cc1cc(Cl)ccc1Cc1cnc(NS(=O)(=O)c2cnc3n2CCC3)s1 ZINC000437928914 982467713 /nfs/dbraw/zinc/46/77/13/982467713.db2.gz GWAZWNSNAZBBSQ-UHFFFAOYSA-N 0 2 408.936 3.639 20 0 HHADLN CC(C)c1csc(NS(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)n1 ZINC000437936819 982472252 /nfs/dbraw/zinc/47/22/52/982472252.db2.gz UZKOUTXHWJMQRX-UHFFFAOYSA-N 0 2 402.501 3.715 20 0 HHADLN CCCC(=O)Nc1cccc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1 ZINC000460820758 982572812 /nfs/dbraw/zinc/57/28/12/982572812.db2.gz QBCRFDTYQUJPKX-UHFFFAOYSA-N 0 2 402.451 3.551 20 0 HHADLN Cc1ccc(NS(C)(=O)=O)c(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000460830887 982580645 /nfs/dbraw/zinc/58/06/45/982580645.db2.gz JOPYCABURMAFGN-UHFFFAOYSA-N 0 2 415.345 3.536 20 0 HHADLN O=S(=O)(Nc1cccc(Oc2ccncc2)c1)c1cnn(-c2ccccc2F)c1 ZINC000460830308 982580861 /nfs/dbraw/zinc/58/08/61/982580861.db2.gz QKMSTPTXHDOVFG-UHFFFAOYSA-N 0 2 410.430 4.000 20 0 HHADLN C[S@](=O)c1ccc(CC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cc1 ZINC000438381859 982756125 /nfs/dbraw/zinc/75/61/25/982756125.db2.gz WAGAYWBIAFUYPW-SANMLTNESA-N 0 2 409.298 3.697 20 0 HHADLN CN(C)c1cccc(-c2nnc(NS(=O)(=O)c3ccc(C(F)(F)F)s3)o2)c1 ZINC000461110649 982799940 /nfs/dbraw/zinc/79/99/40/982799940.db2.gz HTSCKERPIGGFFJ-UHFFFAOYSA-N 0 2 418.422 3.684 20 0 HHADLN CCOC(=O)c1ccsc1NS(=O)(=O)CCc1ccccc1Br ZINC000461112711 982803684 /nfs/dbraw/zinc/80/36/84/982803684.db2.gz ODRUKLQYFHPPMI-UHFFFAOYSA-N 0 2 418.334 3.672 20 0 HHADLN CCOC(=O)c1ccc(F)c(C)c1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000461114001 982805032 /nfs/dbraw/zinc/80/50/32/982805032.db2.gz QXUDLTZNTDBNQL-UHFFFAOYSA-N 0 2 406.357 3.525 20 0 HHADLN CCc1nnc(-c2ccc(NS(=O)(=O)c3ccc(C(=O)OC)cc3Cl)cc2)o1 ZINC000438721301 983025314 /nfs/dbraw/zinc/02/53/14/983025314.db2.gz GTIJZKXSVFAZSU-UHFFFAOYSA-N 0 2 421.862 3.540 20 0 HHADLN Cc1nn(C)c2cc(NS(=O)(=O)c3cc(F)c(Br)cc3F)ccc12 ZINC000461336238 983025467 /nfs/dbraw/zinc/02/54/67/983025467.db2.gz DCJOBCJKYARIJG-UHFFFAOYSA-N 0 2 416.247 3.723 20 0 HHADLN O=S(=O)(Nc1cccc(Oc2ccccn2)c1)c1cnn(Cc2ccccc2)c1 ZINC000438723808 983026823 /nfs/dbraw/zinc/02/68/23/983026823.db2.gz NLIVYWWRMYAIGJ-UHFFFAOYSA-N 0 2 406.467 3.920 20 0 HHADLN Cc1c2ccc(NS(=O)(=O)c3cc(Br)c(F)cc3F)cc2nn1C ZINC000461343697 983029702 /nfs/dbraw/zinc/02/97/02/983029702.db2.gz LHXOIPXWHBIDEL-UHFFFAOYSA-N 0 2 416.247 3.723 20 0 HHADLN Cc1nc(COc2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)s3)cc2)no1 ZINC000461346440 983031613 /nfs/dbraw/zinc/03/16/13/983031613.db2.gz YVCGGTNHJIGZRU-UHFFFAOYSA-N 0 2 419.406 3.838 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2C)c(OCC(F)(F)F)c1 ZINC000438760821 983052105 /nfs/dbraw/zinc/05/21/05/983052105.db2.gz YIMWCBCXFOQGAK-UHFFFAOYSA-N 0 2 421.368 3.663 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cccc(-c3nccs3)c2)cn1 ZINC000438803348 983080574 /nfs/dbraw/zinc/08/05/74/983080574.db2.gz FFXKKSWZSXAHEH-UHFFFAOYSA-N 0 2 412.496 3.805 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)cs1 ZINC000438817073 983091347 /nfs/dbraw/zinc/09/13/47/983091347.db2.gz XINSZJRTSRNIAG-UHFFFAOYSA-N 0 2 408.432 3.662 20 0 HHADLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)sc1C(C)=O ZINC000438968281 983184524 /nfs/dbraw/zinc/18/45/24/983184524.db2.gz AIFWTPDEPBDVQE-UHFFFAOYSA-N 0 2 410.517 3.621 20 0 HHADLN C[C@H](Cn1cc[nH+]c1)NC(=O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1[O-] ZINC000438991771 983199010 /nfs/dbraw/zinc/19/90/10/983199010.db2.gz APNRKNLIQZFCRY-SECBINFHSA-N 0 2 414.680 3.553 20 0 HHADLN CCOC(=O)c1nc(NS(=O)(=O)c2c(Cl)cccc2Cl)sc1C(C)=O ZINC000438996927 983201348 /nfs/dbraw/zinc/20/13/48/983201348.db2.gz GDJQRDMARJUYJF-UHFFFAOYSA-N 0 2 423.299 3.630 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N(C)CC(=O)Nc2cccc(Cl)c2)=N1 ZINC000439004149 983205201 /nfs/dbraw/zinc/20/52/01/983205201.db2.gz UBLXLZGAINMBCW-UHFFFAOYSA-N 0 2 412.877 3.504 20 0 HHADLN CCCCNc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cnn(CCOC)c1 ZINC000439039930 983223507 /nfs/dbraw/zinc/22/35/07/983223507.db2.gz CVQZUGHCOCIASD-UHFFFAOYSA-N 0 2 420.457 3.561 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2cscc2C)c(Br)c1 ZINC000439040886 983223776 /nfs/dbraw/zinc/22/37/76/983223776.db2.gz JWDFEXXQRBHGTM-UHFFFAOYSA-N 0 2 404.307 3.797 20 0 HHADLN COCCn1cc(S(=O)(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)cn1 ZINC000439050123 983227862 /nfs/dbraw/zinc/22/78/62/983227862.db2.gz SRDRPPOKSQLZAG-UHFFFAOYSA-N 0 2 407.879 3.776 20 0 HHADLN O=C(N[C@@H]1CCOc2ccc(Br)cc21)C1=NN(c2ccccc2)CC1=O ZINC000439095627 983248102 /nfs/dbraw/zinc/24/81/02/983248102.db2.gz XDWHDSCPKPIACJ-OAHLLOKOSA-N 0 2 414.259 3.594 20 0 HHADLN CCO[C@@H](C)c1nc(CN(C)C(=O)C2=NN(c3ccccc3CC)CC2=O)cs1 ZINC000439107958 983253585 /nfs/dbraw/zinc/25/35/85/983253585.db2.gz CMZLBWYQLNVLFF-AWEZNQCLSA-N 0 2 414.531 3.967 20 0 HHADLN Cc1ccc(N2CCC(NC(=O)c3cc(Cl)cc(Br)c3[O-])CC2)[nH+]c1 ZINC000439114321 983256657 /nfs/dbraw/zinc/25/66/57/983256657.db2.gz LLOYFGODKSAWGG-UHFFFAOYSA-N 0 2 424.726 3.910 20 0 HHADLN CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)C1=NN(c3ccccc3)CC1=O)O[C@H](C)C2 ZINC000439205674 983310416 /nfs/dbraw/zinc/31/04/16/983310416.db2.gz OKFNRVFAHTYXDN-DKSSEZFCSA-N 0 2 419.481 3.586 20 0 HHADLN C[C@@H](Oc1cccc(F)c1)C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439243189 983327727 /nfs/dbraw/zinc/32/77/27/983327727.db2.gz BVRQECHNQYNGEG-SECBINFHSA-N 0 2 423.217 3.918 20 0 HHADLN Cc1ccc(-c2ccnn2C)cc1NC(=O)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000439837463 983553987 /nfs/dbraw/zinc/55/39/87/983553987.db2.gz AVYXRRJZNWZIPQ-UHFFFAOYSA-N 0 2 419.268 3.985 20 0 HHADLN COCc1cccc2sc(NS(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)nc21 ZINC000439870199 983563126 /nfs/dbraw/zinc/56/31/26/983563126.db2.gz GAGSHUWTOBRVPN-UHFFFAOYSA-N 0 2 404.513 3.957 20 0 HHADLN CCOC(=O)Cc1csc(NS(=O)(=O)c2c(Cl)ccc3ccccc32)n1 ZINC000439872119 983563928 /nfs/dbraw/zinc/56/39/28/983563928.db2.gz LDHKZTCQTJQSSC-UHFFFAOYSA-N 0 2 410.904 3.856 20 0 HHADLN CN1CCc2ccc(S(=O)(=O)Nc3nnc(Cc4cccc(Cl)c4)s3)cc21 ZINC000439873959 983564620 /nfs/dbraw/zinc/56/46/20/983564620.db2.gz AQQSLNDZJHCZMH-UHFFFAOYSA-N 0 2 420.947 3.575 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c(F)cc1F ZINC000440273562 983703669 /nfs/dbraw/zinc/70/36/69/983703669.db2.gz FIVSPUSPGAYXCN-UHFFFAOYSA-N 0 2 408.470 3.946 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)c(F)cc1F ZINC000440276259 983704382 /nfs/dbraw/zinc/70/43/82/983704382.db2.gz MGAHHIKLYIAPCC-UHFFFAOYSA-N 0 2 402.850 3.564 20 0 HHADLN Cc1c(CSC(C)C)cccc1NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000441017651 984024653 /nfs/dbraw/zinc/02/46/53/984024653.db2.gz QYTSNGNXOSXUIS-UHFFFAOYSA-N 0 2 406.577 3.785 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Cl ZINC000441390900 984226146 /nfs/dbraw/zinc/22/61/46/984226146.db2.gz YUKZQQRLBKGDCX-UHFFFAOYSA-N 0 2 420.270 3.598 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000441731675 984419769 /nfs/dbraw/zinc/41/97/69/984419769.db2.gz QXLCIKCWIMPMOD-UHFFFAOYSA-N 0 2 405.369 3.908 20 0 HHADLN Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)c2nn(-c3ccccc3F)cc2[O-])c(C)c1 ZINC000442198936 984720054 /nfs/dbraw/zinc/72/00/54/984720054.db2.gz HKGVIJPUXGRDHQ-IBGZPJMESA-N 0 2 419.460 3.702 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000442325722 984827143 /nfs/dbraw/zinc/82/71/43/984827143.db2.gz SGINHTHYYMEUEJ-UHFFFAOYSA-N 0 2 424.478 3.916 20 0 HHADLN Cc1noc2ncc(NS(=O)(=O)c3cc(Br)ccc3Cl)cc12 ZINC000462107065 985077360 /nfs/dbraw/zinc/07/73/60/985077360.db2.gz YWRVNBJUQUOKNC-UHFFFAOYSA-N 0 2 402.657 3.748 20 0 HHADLN CC(C)[C@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)N(C)C)cc3)c2C1 ZINC000442604399 985086830 /nfs/dbraw/zinc/08/68/30/985086830.db2.gz JKKYZWPRCPCFNT-INIZCTEOSA-N 0 2 415.559 3.549 20 0 HHADLN CC(C)[C@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)N(C)C)cc3)c2C1 ZINC000442604399 985086843 /nfs/dbraw/zinc/08/68/43/985086843.db2.gz JKKYZWPRCPCFNT-INIZCTEOSA-N 0 2 415.559 3.549 20 0 HHADLN CC(C)[C@H](C)N1Cc2cccc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)c2C1 ZINC000442604399 985086853 /nfs/dbraw/zinc/08/68/53/985086853.db2.gz JKKYZWPRCPCFNT-INIZCTEOSA-N 0 2 415.559 3.549 20 0 HHADLN Cc1ccc(-c2cnc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)s2)c(C)c1 ZINC000442616930 985094569 /nfs/dbraw/zinc/09/45/69/985094569.db2.gz MJJVFXRPPIAVBK-UHFFFAOYSA-N 0 2 415.540 3.930 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000442819369 985226849 /nfs/dbraw/zinc/22/68/49/985226849.db2.gz PUUMYHMGBBLRDK-UHFFFAOYSA-N 0 2 417.468 3.780 20 0 HHADLN O=C(c1cccc(NS(=O)(=O)c2cnccc2C(F)(F)F)c1)N1CCCCC1 ZINC000442819670 985227182 /nfs/dbraw/zinc/22/71/82/985227182.db2.gz QMICYYLWGPFSMV-UHFFFAOYSA-N 0 2 413.421 3.527 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccccc1NCC(F)(F)F ZINC000442828258 985231686 /nfs/dbraw/zinc/23/16/86/985231686.db2.gz PPUVMICWIVUOOU-UHFFFAOYSA-N 0 2 408.423 3.618 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cccc(OCc2cscn2)c1 ZINC000442835390 985236913 /nfs/dbraw/zinc/23/69/13/985236913.db2.gz FZNAZUOUTCNSTA-UHFFFAOYSA-N 0 2 424.525 3.679 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cccc(COCc2ccco2)c1 ZINC000442838758 985238948 /nfs/dbraw/zinc/23/89/48/985238948.db2.gz QUGDHRMHRDSHER-UHFFFAOYSA-N 0 2 421.496 3.954 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2C[C@H]2c2cccc(F)c2)c(F)c1Cl ZINC000462300323 985286445 /nfs/dbraw/zinc/28/64/45/985286445.db2.gz VDVYEHLCHDUWMI-AAEUAGOBSA-N 0 2 418.824 3.550 20 0 HHADLN O=C1Cc2cc(S(=O)(=O)Nc3cnccc3Oc3ccccc3)cc3c2N1CCC3 ZINC000462378120 985360765 /nfs/dbraw/zinc/36/07/65/985360765.db2.gz DAVIBUSRFIFRLT-UHFFFAOYSA-N 0 2 421.478 3.510 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1nnc(CC2CCCCC2)s1 ZINC000443139696 985401782 /nfs/dbraw/zinc/40/17/82/985401782.db2.gz ZEEDWNWGQITDKG-UHFFFAOYSA-N 0 2 415.562 3.618 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3cc4cc(C)ccc4o3)o2)cc1F ZINC000443153390 985411596 /nfs/dbraw/zinc/41/15/96/985411596.db2.gz DBIFRBPNXUKLEQ-UHFFFAOYSA-N 0 2 403.391 3.740 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2nnc(-c3cc4cc(C)ccc4o3)o2)c1 ZINC000443154392 985412661 /nfs/dbraw/zinc/41/26/61/985412661.db2.gz GLMKCKAYCVNJOA-UHFFFAOYSA-N 0 2 415.427 3.609 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1nnc(-c2ccc(C)cc2C)s1 ZINC000443160453 985417460 /nfs/dbraw/zinc/41/74/60/985417460.db2.gz XXRASVLAXGCGIK-UHFFFAOYSA-N 0 2 423.541 3.779 20 0 HHADLN C[C@@H]1CN(c2ccccc2NS(=O)(=O)c2cnccc2C(F)(F)F)C[C@H](C)O1 ZINC000443162167 985418271 /nfs/dbraw/zinc/41/82/71/985418271.db2.gz YCRVAYZOJUUCQG-BETUJISGSA-N 0 2 415.437 3.515 20 0 HHADLN CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000462491053 985445045 /nfs/dbraw/zinc/44/50/45/985445045.db2.gz QCYZSXLRRWQBRA-HXUWFJFHSA-N 0 2 414.893 3.757 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3cccnc3OCC(F)F)c2)n1 ZINC000443407450 985562073 /nfs/dbraw/zinc/56/20/73/985562073.db2.gz PMRLEIXDVZYSCH-UHFFFAOYSA-N 0 2 411.455 3.958 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)cc1OC ZINC000443409038 985564548 /nfs/dbraw/zinc/56/45/48/985564548.db2.gz MKOPTODWOMWIEN-UHFFFAOYSA-N 0 2 413.499 3.643 20 0 HHADLN CN(C)C(=O)c1cccc(S(=O)(=O)Nc2cc(C3CCC3)nn2-c2ccccc2)c1 ZINC000443416841 985573395 /nfs/dbraw/zinc/57/33/95/985573395.db2.gz JFYIHCCOUXTINN-UHFFFAOYSA-N 0 2 424.526 3.642 20 0 HHADLN O=S(=O)(Nc1cccc(CSC2CCCC2)c1)c1cnn([C@@H]2CCOC2)c1 ZINC000443478627 985653920 /nfs/dbraw/zinc/65/39/20/985653920.db2.gz UOFMZAQDIIILHV-QGZVFWFLSA-N 0 2 407.561 3.821 20 0 HHADLN O=C(NCCCNc1nc(-c2ccccc2)ns1)c1cccc(Br)c1 ZINC000462790762 985725132 /nfs/dbraw/zinc/72/51/32/985725132.db2.gz IHRKYOFJCDOKCX-UHFFFAOYSA-N 0 2 417.332 3.622 20 0 HHADLN Cc1noc(C(C)C)c1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443576776 985751691 /nfs/dbraw/zinc/75/16/91/985751691.db2.gz CDTVCNHZGJIHBU-UHFFFAOYSA-N 0 2 406.489 3.616 20 0 HHADLN C[C@@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccc(Cl)c2ccccc21 ZINC000462955667 985898345 /nfs/dbraw/zinc/89/83/45/985898345.db2.gz WEEAISCBGCZGOB-LLVKDONJSA-N 0 2 416.934 3.880 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000468357196 986053992 /nfs/dbraw/zinc/05/39/92/986053992.db2.gz JDXLDXAIZSDNIH-GFCCVEGCSA-N 0 2 415.895 3.572 20 0 HHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 ZINC000463104735 986066478 /nfs/dbraw/zinc/06/64/78/986066478.db2.gz KVGRJAUSTBFXTN-MRVPVSSYSA-N 0 2 401.196 3.969 20 0 HHADLN CCCOc1cc(F)ccc1NS(=O)(=O)c1cc(F)ccc1OCCOC ZINC000468370357 986069625 /nfs/dbraw/zinc/06/96/25/986069625.db2.gz CSNJDTRPQQIQQC-UHFFFAOYSA-N 0 2 401.431 3.580 20 0 HHADLN C[C@@H](C(=O)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000463111560 986073214 /nfs/dbraw/zinc/07/32/14/986073214.db2.gz YZTIALUBBAFFFH-SNVBAGLBSA-N 0 2 417.314 3.692 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)CCOc1ccc(F)cc1 ZINC000468379125 986079337 /nfs/dbraw/zinc/07/93/37/986079337.db2.gz JKJOGINZTMNJFB-ZDUSSCGKSA-N 0 2 417.886 3.714 20 0 HHADLN Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(-c4[nH+]cc5n4CCCC5)cc3)cc2=O)cc1 ZINC000468411139 986109331 /nfs/dbraw/zinc/10/93/31/986109331.db2.gz GHUOFVGLDLQQHY-UHFFFAOYSA-N 0 2 413.481 3.926 20 0 HHADLN C[S@@](=O)Cc1cccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c1 ZINC000463159814 986131767 /nfs/dbraw/zinc/13/17/67/986131767.db2.gz CJALBFIHENKCRZ-AREMUKBSSA-N 0 2 409.298 3.909 20 0 HHADLN O=C(COCCOc1ccccc1)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463169399 986141673 /nfs/dbraw/zinc/14/16/73/986141673.db2.gz IXLXPAROGWRGLG-UHFFFAOYSA-N 0 2 407.257 3.813 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1ccc(-n2ccnn2)cc1 ZINC000463173268 986144992 /nfs/dbraw/zinc/14/49/92/986144992.db2.gz SXRMFVCPLVJYCC-UHFFFAOYSA-N 0 2 400.229 3.612 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000444011176 986205759 /nfs/dbraw/zinc/20/57/59/986205759.db2.gz RMGHQTNHEWNIRU-UHFFFAOYSA-N 0 2 417.281 3.767 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc(OC)cc(OC)c1 ZINC000468515388 986218223 /nfs/dbraw/zinc/21/82/23/986218223.db2.gz JWIIWHAFWIHONB-GFCCVEGCSA-N 0 2 415.895 3.572 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000468535109 986241021 /nfs/dbraw/zinc/24/10/21/986241021.db2.gz GFZONKPHWKVZON-UHFFFAOYSA-N 0 2 401.459 3.904 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)n(Cc2ccccn2)n1 ZINC000444050522 986249923 /nfs/dbraw/zinc/24/99/23/986249923.db2.gz INTGWGJLKHJTGL-UHFFFAOYSA-N 0 2 414.384 3.594 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000468549830 986256150 /nfs/dbraw/zinc/25/61/50/986256150.db2.gz VZNLSQPWGYWDKB-JTQLQIEISA-N 0 2 421.849 3.841 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000468550697 986257215 /nfs/dbraw/zinc/25/72/15/986257215.db2.gz ATODFMZVXMSXBS-QGZVFWFLSA-N 0 2 422.572 3.744 20 0 HHADLN O=S(=O)(Nc1nc2c(ccc(F)c2F)s1)c1cnc(-c2ccccc2)nc1 ZINC000444060696 986263251 /nfs/dbraw/zinc/26/32/51/986263251.db2.gz WNCNYAXWFDOEPR-UHFFFAOYSA-N 0 2 404.423 3.832 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3ccoc3C)o2)c(Cl)c1Cl ZINC000444065055 986268054 /nfs/dbraw/zinc/26/80/54/986268054.db2.gz KTUPSZLMPHZKIK-UHFFFAOYSA-N 0 2 404.231 3.754 20 0 HHADLN COCn1nc(C)c(S(=O)(=O)Nc2ccc(Oc3ccccc3OC)cc2)c1C ZINC000463373235 986339408 /nfs/dbraw/zinc/33/94/08/986339408.db2.gz BPQFBCJAFNBVEZ-UHFFFAOYSA-N 0 2 417.487 3.706 20 0 HHADLN COc1ccc(-c2nsc(NS(=O)(=O)c3ccc4ccccc4c3)n2)cc1F ZINC000444207384 986388627 /nfs/dbraw/zinc/38/86/27/986388627.db2.gz VGJZTNKKYUSMKE-UHFFFAOYSA-N 0 2 415.471 3.729 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC(Cc3ccc(F)c(F)c3)C2)=N1 ZINC000468742547 986456187 /nfs/dbraw/zinc/45/61/87/986456187.db2.gz IIQVMXXNHGOMRR-UHFFFAOYSA-N 0 2 401.388 3.618 20 0 HHADLN Cc1ccccc1[C@@H]1CN(C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)[C@H](C)CO1 ZINC000468744235 986458060 /nfs/dbraw/zinc/45/80/60/986458060.db2.gz PTINJXCHJFAAED-IERDGZPVSA-N 0 2 409.461 3.936 20 0 HHADLN Cc1nn(C)c2ncc(S(=O)(=O)Nc3ncc(-c4ccc(C)cc4C)s3)cc12 ZINC000468802845 986511841 /nfs/dbraw/zinc/51/18/41/986511841.db2.gz COOZTSDNJWGGNQ-UHFFFAOYSA-N 0 2 413.528 3.818 20 0 HHADLN Cc1ccc(-c2cnc(NS(=O)(=O)c3ccc(S(C)(=O)=O)cc3)s2)c(C)c1 ZINC000468884953 986592299 /nfs/dbraw/zinc/59/22/99/986592299.db2.gz JMQGXSVMLAUHTO-UHFFFAOYSA-N 0 2 422.553 3.631 20 0 HHADLN Cc1cc(CN(C)C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)ccc1F ZINC000444431835 986617127 /nfs/dbraw/zinc/61/71/27/986617127.db2.gz QFTDUEVHPSQDOF-UHFFFAOYSA-N 0 2 419.503 3.664 20 0 HHADLN Cc1ccc(-c2cnc(NS(=O)(=O)c3cccc4c3OCCO4)s2)c(C)c1 ZINC000468959458 986663289 /nfs/dbraw/zinc/66/32/89/986663289.db2.gz OPNJMIKDTLEJMB-UHFFFAOYSA-N 0 2 402.497 3.999 20 0 HHADLN Cc1ccc(-c2cnc(NS(=O)(=O)c3ccc4c(c3)C(=O)NCC4)s2)c(C)c1 ZINC000468972843 986676920 /nfs/dbraw/zinc/67/69/20/986676920.db2.gz PSDJPAPHKTVVNZ-UHFFFAOYSA-N 0 2 413.524 3.514 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2ncc[nH]2)cc1 ZINC000468979895 986685550 /nfs/dbraw/zinc/68/55/50/986685550.db2.gz OEDKGWKHOZDPTJ-ZDUSSCGKSA-N 0 2 421.906 3.945 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN4CC[C@H](OCC(C)C)C4)nc(=O)c3s2)cc1 ZINC000469052596 986762930 /nfs/dbraw/zinc/76/29/30/986762930.db2.gz QDQITVMMAPWJSE-KRWDZBQOSA-N 0 2 413.543 3.907 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(OC)cc1C(F)(F)F ZINC000469061384 986773435 /nfs/dbraw/zinc/77/34/35/986773435.db2.gz VUEGKFOOAYTIHF-UHFFFAOYSA-N 0 2 423.384 3.679 20 0 HHADLN COc1cc(C)c(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1C ZINC000444623415 986808517 /nfs/dbraw/zinc/80/85/17/986808517.db2.gz SQZHQVCOGMYOKP-UHFFFAOYSA-N 0 2 417.512 3.822 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)=N1 ZINC000469165119 986889697 /nfs/dbraw/zinc/88/96/97/986889697.db2.gz ZYUOOMVZQGJLGR-UHFFFAOYSA-N 0 2 414.384 3.773 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C[C@@H]3CCC[C@H]3C)cc2)nc(C)n1 ZINC000469838267 987473346 /nfs/dbraw/zinc/47/33/46/987473346.db2.gz JWKOVEVESSFMNB-CJNGLKHVSA-N 0 2 402.520 3.659 20 0 HHADLN CCc1c(C(=O)N=c2nc(-c3ccsc3)[nH]s2)cnn1-c1ccccc1OC ZINC000469970026 987587716 /nfs/dbraw/zinc/58/77/16/987587716.db2.gz VNYAOCOWBJPJNQ-UHFFFAOYSA-N 0 2 411.512 3.698 20 0 HHADLN CS(=O)(=O)Cc1cc(F)ccc1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000470454362 988435684 /nfs/dbraw/zinc/43/56/84/988435684.db2.gz WXIPKVFGOTZIMA-UHFFFAOYSA-N 0 2 418.320 3.539 20 0 HHADLN O=S(=O)(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1cccc(F)c1F ZINC000464425603 988597382 /nfs/dbraw/zinc/59/73/82/988597382.db2.gz HXVLYRSBIXEGSL-UHFFFAOYSA-N 0 2 418.469 3.674 20 0 HHADLN CC[C@H](CN(C)C(=O)c1c[nH]c2c(cnn2C)c1=O)Oc1ccc(Cl)c(Cl)c1 ZINC000470723902 988750875 /nfs/dbraw/zinc/75/08/75/988750875.db2.gz QFEZQIXASWIZPS-LLVKDONJSA-N 0 2 423.300 3.910 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc4c(C(F)F)nn(C)c4s3)s[nH]2)c1 ZINC000470882723 988953429 /nfs/dbraw/zinc/95/34/29/988953429.db2.gz JTMUIZWYUUPZEC-UHFFFAOYSA-N 0 2 421.454 3.774 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN4C[C@@H](C5CC5)O[C@@H](C)C4)nc(=O)c3s2)cc1 ZINC000470913537 988989629 /nfs/dbraw/zinc/98/96/29/988989629.db2.gz PZIYMGRYOPVHIR-UGSOOPFHSA-N 0 2 411.527 3.660 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN4C[C@@H](C)O[C@@H](C5CC5)C4)nc(=O)c3s2)cc1 ZINC000470913535 988990068 /nfs/dbraw/zinc/99/00/68/988990068.db2.gz PZIYMGRYOPVHIR-FZKQIMNGSA-N 0 2 411.527 3.660 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccccc1CCC(F)(F)F ZINC000464832165 989072394 /nfs/dbraw/zinc/07/23/94/989072394.db2.gz BTBYSUYJDBYDND-UHFFFAOYSA-N 0 2 405.369 3.908 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2-n2cncn2)c(Cl)cc1F ZINC000471116391 989220789 /nfs/dbraw/zinc/22/07/89/989220789.db2.gz MSSDWCVVTQQEGA-UHFFFAOYSA-N 0 2 401.250 3.822 20 0 HHADLN O=C1Nc2ccc(S(=O)(=O)Nc3nnc(-c4ccsc4)s3)c3cccc1c23 ZINC000471501758 989698936 /nfs/dbraw/zinc/69/89/36/989698936.db2.gz WPFIQXNSUAGYFQ-UHFFFAOYSA-N 0 2 414.493 3.786 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3cc(C)c(OC)c(C)c3)s2)c1 ZINC000471509331 989708177 /nfs/dbraw/zinc/70/81/77/989708177.db2.gz VYEXRUMKIKFEOE-UHFFFAOYSA-N 0 2 419.528 3.564 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cc1C ZINC000471520984 989720161 /nfs/dbraw/zinc/72/01/61/989720161.db2.gz HKMGACDGGLCQRB-UHFFFAOYSA-N 0 2 403.529 3.982 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cc1OC ZINC000471527313 989727228 /nfs/dbraw/zinc/72/72/28/989727228.db2.gz QIZCNEQZROFAMA-UHFFFAOYSA-N 0 2 419.528 3.682 20 0 HHADLN Fc1ccc([C@@H](NCc2nnc(COc3ccccc3)[nH]2)c2cccnc2)c(F)c1 ZINC000471593958 989797320 /nfs/dbraw/zinc/79/73/20/989797320.db2.gz AVPLJIAAMGNNLE-QFIPXVFZSA-N 0 2 407.424 3.936 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)ccc1F ZINC000471619792 989824726 /nfs/dbraw/zinc/82/47/26/989824726.db2.gz NXDKDDGJIQYEPJ-UHFFFAOYSA-N 0 2 415.368 3.840 20 0 HHADLN Cc1cc(-c2noc([C@H](C)NS(=O)(=O)c3c(F)cc(F)cc3F)n2)ccc1F ZINC000471873773 990045447 /nfs/dbraw/zinc/04/54/47/990045447.db2.gz PDGSVPRGLYOPMX-VIFPVBQESA-N 0 2 415.368 3.641 20 0 HHADLN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)c1 ZINC000471950496 990114439 /nfs/dbraw/zinc/11/44/39/990114439.db2.gz GOQFSBNRMCEFAH-UHFFFAOYSA-N 0 2 423.691 3.814 20 0 HHADLN COC(=O)c1ccc(C(C)C)c(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)c1 ZINC000466469819 991760486 /nfs/dbraw/zinc/76/04/86/991760486.db2.gz XENRPEBBSCAIJJ-UHFFFAOYSA-N 0 2 411.483 3.854 20 0 HHADLN O=S(=O)(Nc1cc(Cl)c(Cl)cn1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000467017932 992324930 /nfs/dbraw/zinc/32/49/30/992324930.db2.gz BAJHJLKGMUOEEZ-SNVBAGLBSA-N 0 2 421.277 3.744 20 0 HHADLN CC(C)(C)c1csc(NS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)n1 ZINC000467018037 992325887 /nfs/dbraw/zinc/32/58/87/992325887.db2.gz CLYZDPKRWDMDBQ-GFCCVEGCSA-N 0 2 414.524 3.796 20 0 HHADLN Cc1ccc2nc(NS(=O)(=O)c3ccc(OC[C@@H]4CCOC4)c(F)c3)sc2c1 ZINC000467041177 992350280 /nfs/dbraw/zinc/35/02/80/992350280.db2.gz QXNZZHNKEISKET-CYBMUJFWSA-N 0 2 422.503 3.960 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cc(C)nn2-c2ccc(Cl)cc2)ccc1C ZINC000467086305 992391711 /nfs/dbraw/zinc/39/17/11/992391711.db2.gz SUSKELLWQNUHNF-UHFFFAOYSA-N 0 2 419.890 3.730 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)ccc1C ZINC000467431811 992730214 /nfs/dbraw/zinc/73/02/14/992730214.db2.gz FDCRGKXTKDPLOQ-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)ccc1C ZINC000467432002 992730337 /nfs/dbraw/zinc/73/03/37/992730337.db2.gz HNNFUTRPJAQFFO-UHFFFAOYSA-N 0 2 402.497 3.630 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCCc2c3cccc(F)c3[nH]c2C1 ZINC000467784168 993021877 /nfs/dbraw/zinc/02/18/77/993021877.db2.gz OFXSWANMQQVKND-UHFFFAOYSA-N 0 2 408.408 3.926 20 0 HHADLN COCCOc1ccc(S(=O)(=O)Nc2cc(-c3cc(C)cc(C)c3)n[nH]2)cc1 ZINC000472422643 993419288 /nfs/dbraw/zinc/41/92/88/993419288.db2.gz MZAZCUDRBUUROY-UHFFFAOYSA-N 0 2 401.488 3.520 20 0 HHADLN Cc1nc(-c2ccc(F)c(F)c2)sc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000480864787 993736109 /nfs/dbraw/zinc/73/61/09/993736109.db2.gz MKVPFYHRLJCBNS-UHFFFAOYSA-N 0 2 415.450 3.984 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC[C@@]4(C3)OCc3ccccc34)s[nH]2)c1 ZINC000481158278 993991540 /nfs/dbraw/zinc/99/15/40/993991540.db2.gz QNFBIISYOBLDHQ-QFIPXVFZSA-N 0 2 422.510 3.689 20 0 HHADLN CCS[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000481358603 994185001 /nfs/dbraw/zinc/18/50/01/994185001.db2.gz LNCVHOZXGKLAQP-CMPLNLGQSA-N 0 2 412.911 3.529 20 0 HHADLN Cc1cc(F)c(Br)cc1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000473421020 994273281 /nfs/dbraw/zinc/27/32/81/994273281.db2.gz KYIPHZDVDZBMJE-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3c(C)[nH]nc3C(F)F)cc2c1C ZINC000473483482 994326951 /nfs/dbraw/zinc/32/69/51/994326951.db2.gz NXRZAWCMZLREIK-UHFFFAOYSA-N 0 2 413.402 3.688 20 0 HHADLN CCOC(=O)C(C)(C)n1cc(NS(=O)(=O)c2ccc(C(C)(C)CC)cc2)cn1 ZINC000481586618 994430803 /nfs/dbraw/zinc/43/08/03/994430803.db2.gz MHNLSODYFAEVGB-UHFFFAOYSA-N 0 2 407.536 3.670 20 0 HHADLN Cc1cnc(-c2cccc(NC(=O)NCc3nnc(COc4ccccc4)[nH]3)c2)o1 ZINC000473675912 994565267 /nfs/dbraw/zinc/56/52/67/994565267.db2.gz KNJGDZXPTMYNPS-UHFFFAOYSA-N 0 2 404.430 3.669 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1cccc(Oc2ccccn2)c1 ZINC000473704744 994595547 /nfs/dbraw/zinc/59/55/47/994595547.db2.gz GYHMDTHBWGSYDV-UHFFFAOYSA-N 0 2 416.441 3.893 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@H](C)CC3)c(Br)c1 ZINC000481824506 994675707 /nfs/dbraw/zinc/67/57/07/994675707.db2.gz YFQZWTUSQIYOSR-SECBINFHSA-N 0 2 417.350 3.840 20 0 HHADLN O=S(=O)([N-]c1n[nH]c2ccc(C(F)(F)F)cc21)c1ccccc1Cn1cc[nH+]c1 ZINC000473770270 994690076 /nfs/dbraw/zinc/69/00/76/994690076.db2.gz SKGHGXTVBKFCRI-UHFFFAOYSA-N 0 2 421.404 3.627 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cn1 ZINC000481842970 994697588 /nfs/dbraw/zinc/69/75/88/994697588.db2.gz IEXHZSKRWNTBHM-UHFFFAOYSA-N 0 2 414.871 3.592 20 0 HHADLN CCSCc1ccnc(NS(=O)(=O)c2ccc(OC)cc2Br)c1 ZINC000481842449 994697681 /nfs/dbraw/zinc/69/76/81/994697681.db2.gz ZMAHCXLECWQOEA-UHFFFAOYSA-N 0 2 417.350 3.907 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NC(C)(C)c3nc4ccccc4n3C)s[nH]2)c1 ZINC000473776628 994698937 /nfs/dbraw/zinc/69/89/37/994698937.db2.gz OHONHMOCBYXPTO-UHFFFAOYSA-N 0 2 422.514 3.579 20 0 HHADLN CCCCc1nnc(NS(=O)(=O)c2ccc3sc(C(=O)OCC)cc3c2)o1 ZINC000481845809 994700437 /nfs/dbraw/zinc/70/04/37/994700437.db2.gz ICLAEKJSRGQPLU-UHFFFAOYSA-N 0 2 409.489 3.604 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3c(C)cc(C)cc3OC)o2)cc1 ZINC000481859369 994717642 /nfs/dbraw/zinc/71/76/42/994717642.db2.gz WSNASUDTSUOTDC-UHFFFAOYSA-N 0 2 403.460 3.562 20 0 HHADLN Cc1cc(-c2noc([C@@H](C)NC(=O)N=c3nc(C(C)(C)C)[nH]s3)n2)ccc1F ZINC000473801336 994727304 /nfs/dbraw/zinc/72/73/04/994727304.db2.gz VPUYGHIEKJNQPU-SNVBAGLBSA-N 0 2 404.471 3.638 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccccc2)cn1)c1cc(Br)ccc1F ZINC000481869581 994732478 /nfs/dbraw/zinc/73/24/78/994732478.db2.gz DZWYJZVBZWBWDO-UHFFFAOYSA-N 0 2 408.252 3.846 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2ncc(-c3ccccc3)cn2)c1 ZINC000481875952 994740219 /nfs/dbraw/zinc/74/02/19/994740219.db2.gz RBTKPHJPSHWTNX-UHFFFAOYSA-N 0 2 420.288 3.716 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3cccc(Cl)c3Cl)o2)c1 ZINC000481880866 994745001 /nfs/dbraw/zinc/74/50/01/994745001.db2.gz FSIUUCXSMUQORO-UHFFFAOYSA-N 0 2 414.270 3.777 20 0 HHADLN Cc1ccc2cccnc2c1S(=O)(=O)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000481943124 994819618 /nfs/dbraw/zinc/81/96/18/994819618.db2.gz NIZGBUUJOJCZHT-UHFFFAOYSA-N 0 2 416.915 3.938 20 0 HHADLN COc1ccc([C@@H](NC(=O)NCc2nnc(COc3ccccc3)[nH]2)C(C)C)cc1 ZINC000473895692 994851553 /nfs/dbraw/zinc/85/15/53/994851553.db2.gz ONDQTYBSSSRVML-NRFANRHFSA-N 0 2 409.490 3.589 20 0 HHADLN CCc1ccc([C@@H]2CN(C(=O)C3=NN(c4ccc(F)cc4C)CC3=O)CCO2)cc1 ZINC000482046199 994968390 /nfs/dbraw/zinc/96/83/90/994968390.db2.gz JROAGEXMFOWRNC-NRFANRHFSA-N 0 2 409.461 3.802 20 0 HHADLN CC[C@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)C(C)(C)c1ccccc1 ZINC000474039080 995029224 /nfs/dbraw/zinc/02/92/24/995029224.db2.gz SGKNGGHERRZOIY-IBGZPJMESA-N 0 2 407.518 3.939 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000474075120 995060363 /nfs/dbraw/zinc/06/03/63/995060363.db2.gz UVUVUNUYLKUONU-UHFFFAOYSA-N 0 2 421.476 3.912 20 0 HHADLN Cc1ccccc1C1CCN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)CC1 ZINC000474081597 995065466 /nfs/dbraw/zinc/06/54/66/995065466.db2.gz QZSIUPHMIZTSQQ-UHFFFAOYSA-N 0 2 405.502 3.781 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCC[C@@H](Cc2ccccc2)C1 ZINC000474088326 995070997 /nfs/dbraw/zinc/07/09/97/995070997.db2.gz JWFADCSOUATWPB-IBGZPJMESA-N 0 2 405.502 3.548 20 0 HHADLN C[C@H](c1nc2ccccc2s1)N(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474091748 995074434 /nfs/dbraw/zinc/07/44/34/995074434.db2.gz XYYGOVAEUOCRFS-CQSZACIVSA-N 0 2 422.514 3.896 20 0 HHADLN CCc1ccc(CN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C2CC2)cc1 ZINC000474094526 995075900 /nfs/dbraw/zinc/07/59/00/995075900.db2.gz JWTHCCITYYZVEJ-UHFFFAOYSA-N 0 2 405.502 3.820 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(C4CCCCC4)n[nH]3)cc2C[C@H]1C ZINC000474407885 995374535 /nfs/dbraw/zinc/37/45/35/995374535.db2.gz DCSKXOIROGHLCO-CYBMUJFWSA-N 0 2 402.520 3.556 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)cc1Cl ZINC000474434008 995396595 /nfs/dbraw/zinc/39/65/95/995396595.db2.gz PLWMLOKLOSGVDK-UHFFFAOYSA-N 0 2 408.892 3.618 20 0 HHADLN CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474573009 995534765 /nfs/dbraw/zinc/53/47/65/995534765.db2.gz HHUBJGABPAMKLE-UHFFFAOYSA-N 0 2 400.866 3.511 20 0 HHADLN Cc1ccc(-c2nc(CC(=O)NCc3nnc(COc4ccccc4)[nH]3)cs2)cc1 ZINC000474579630 995540365 /nfs/dbraw/zinc/54/03/65/995540365.db2.gz WOWZGXLDQVHXLP-UHFFFAOYSA-N 0 2 419.510 3.675 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000474585827 995544933 /nfs/dbraw/zinc/54/49/33/995544933.db2.gz MPPTZDBNUYAGBR-UHFFFAOYSA-N 0 2 417.444 3.878 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cc(-c2cccc(Cl)c2)on1 ZINC000474599708 995557835 /nfs/dbraw/zinc/55/78/35/995557835.db2.gz RZRNBDMULMJQDI-UHFFFAOYSA-N 0 2 409.833 3.622 20 0 HHADLN O=C(NCc1n[nH]c(=O)[nH]1)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F ZINC000474618835 995569466 /nfs/dbraw/zinc/56/94/66/995569466.db2.gz CZTBNHMVKVLTIR-UHFFFAOYSA-N 0 2 415.319 3.505 20 0 HHADLN COc1ccc([C@H](NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)C(C)C)cc1 ZINC000482642978 995637498 /nfs/dbraw/zinc/63/74/98/995637498.db2.gz QFVGJAYUIAZJGL-QGZVFWFLSA-N 0 2 400.504 3.944 20 0 HHADLN O=C(C1=NN(c2ccccc2)CC1=O)N1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000475470447 996161658 /nfs/dbraw/zinc/16/16/58/996161658.db2.gz RHSWEKLSDXSBEV-GOSISDBHSA-N 0 2 417.387 3.810 20 0 HHADLN CN(Cc1nccn1Cc1ccccc1)C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000475643252 996271657 /nfs/dbraw/zinc/27/16/57/996271657.db2.gz MZCDZHVRHXKSPA-UHFFFAOYSA-N 0 2 404.499 3.536 20 0 HHADLN COc1ccccc1-c1noc([C@@H](C)NC(=O)N=c2nc(-c3ccccc3)[nH]s2)n1 ZINC000475664333 996286214 /nfs/dbraw/zinc/28/62/14/996286214.db2.gz YCAFSOYPKVXKTG-GFCCVEGCSA-N 0 2 422.470 3.568 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2c3c(ccc2OC)CCC3)c(Br)c1 ZINC000475797571 996377210 /nfs/dbraw/zinc/37/72/10/996377210.db2.gz NJMNKJODZHCIEI-UHFFFAOYSA-N 0 2 412.305 3.756 20 0 HHADLN CC(C)Cc1ncc(NS(=O)(=O)c2ccc(Br)c(Cl)c2)cn1 ZINC000475825116 996394836 /nfs/dbraw/zinc/39/48/36/996394836.db2.gz DFYZNPPGGZWYGX-UHFFFAOYSA-N 0 2 404.717 3.892 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(F)cc2)c(Br)c1 ZINC000476237736 996697432 /nfs/dbraw/zinc/69/74/32/996697432.db2.gz XKQZCKCIFHJTFA-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN COC(=O)c1cccc(CS(=O)(=O)Nc2cccc3oc(C(F)(F)F)nc32)c1 ZINC000476241264 996699483 /nfs/dbraw/zinc/69/94/83/996699483.db2.gz YMCRKDATLHVDOL-UHFFFAOYSA-N 0 2 414.361 3.575 20 0 HHADLN CCOC(=O)c1cc2cc(C(=O)N=c3nc(-c4cccc(OC)c4)[nH]s3)ccc2[nH]1 ZINC000476284589 996730426 /nfs/dbraw/zinc/73/04/26/996730426.db2.gz COHZZJGPPXNVBN-UHFFFAOYSA-N 0 2 422.466 3.546 20 0 HHADLN CCc1c(C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)cnn1Cc1ccccc1 ZINC000476298207 996739161 /nfs/dbraw/zinc/73/91/61/996739161.db2.gz XVJRTVQUARTRTC-UHFFFAOYSA-N 0 2 419.510 3.695 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cnn(-c4ccccc4)c3C3CC3)s[nH]2)c1 ZINC000476323524 996755762 /nfs/dbraw/zinc/75/57/62/996755762.db2.gz MFMFQYXIYHPWOQ-UHFFFAOYSA-N 0 2 417.494 3.951 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(F)cc4nc(C)c(C)nc43)s[nH]2)c1 ZINC000476323414 996755965 /nfs/dbraw/zinc/75/59/65/996755965.db2.gz LQMZESVTYIPWLJ-UHFFFAOYSA-N 0 2 409.446 3.587 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(F)ccc3Br)s[nH]2)c1 ZINC000476353880 996773930 /nfs/dbraw/zinc/77/39/30/996773930.db2.gz RXVRWWPZLNWQFP-UHFFFAOYSA-N 0 2 408.252 3.790 20 0 HHADLN Cc1c(Br)cccc1S(=O)(=O)Nc1cnc(-c2cccc(O)c2)nc1 ZINC000476371420 996806671 /nfs/dbraw/zinc/80/66/71/996806671.db2.gz DOGYUIPOGPKQDU-UHFFFAOYSA-N 0 2 420.288 3.721 20 0 HHADLN CC(C)(C)C[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476411922 996872199 /nfs/dbraw/zinc/87/21/99/996872199.db2.gz QUTOTKMHUYGWEB-OAHLLOKOSA-N 0 2 407.561 3.985 20 0 HHADLN Cc1cc(F)cc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)c1 ZINC000476422854 996890355 /nfs/dbraw/zinc/89/03/55/996890355.db2.gz LPYVBDPRCNLGEY-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476424192 996891635 /nfs/dbraw/zinc/89/16/35/996891635.db2.gz QSJUQIXJZMVCOJ-FZKQIMNGSA-N 0 2 413.524 3.607 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3ccccc3C(F)(F)F)o2)cc1 ZINC000476432599 996903848 /nfs/dbraw/zinc/90/38/48/996903848.db2.gz FVEIGCZHLKMDLO-UHFFFAOYSA-N 0 2 413.377 3.955 20 0 HHADLN CC[C@H](C)c1ccc(S(=O)(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 ZINC000476437143 996908730 /nfs/dbraw/zinc/90/87/30/996908730.db2.gz PTCXJRGGGCAYPG-LBPRGKRZSA-N 0 2 401.444 3.780 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccc(-c2ccccc2)cc1 ZINC000476444332 996916359 /nfs/dbraw/zinc/91/63/59/996916359.db2.gz WAIUBNWEIZHWBQ-UHFFFAOYSA-N 0 2 421.434 3.933 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000476544039 997036427 /nfs/dbraw/zinc/03/64/27/997036427.db2.gz KLYNUADHVLVMGJ-FQEVSTJZSA-N 0 2 417.556 3.906 20 0 HHADLN CC[C@@H](c1ccncc1)N(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476547165 997040120 /nfs/dbraw/zinc/04/01/20/997040120.db2.gz MNWSJFMOPKROJD-KRWDZBQOSA-N 0 2 416.528 3.562 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c2ccccc12 ZINC000476573314 997070670 /nfs/dbraw/zinc/07/06/70/997070670.db2.gz WLMYNLYHKKRJKU-UHFFFAOYSA-N 0 2 420.494 3.844 20 0 HHADLN CCN(Cc1cccc(F)c1)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476729179 997279555 /nfs/dbraw/zinc/27/95/55/997279555.db2.gz MMBLSIIYBZLFOD-UHFFFAOYSA-N 0 2 419.503 3.745 20 0 HHADLN CCCOc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000476731604 997282938 /nfs/dbraw/zinc/28/29/38/997282938.db2.gz QHLLMXQUQHSXMP-UHFFFAOYSA-N 0 2 417.512 3.985 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N1CCc2sccc2C1 ZINC000485010090 997374236 /nfs/dbraw/zinc/37/42/36/997374236.db2.gz FTIOYXSQZXLXJR-UHFFFAOYSA-N 0 2 420.541 3.596 20 0 HHADLN O=C1CCCc2cc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)ccc2N1 ZINC000485025084 997389996 /nfs/dbraw/zinc/38/99/96/997389996.db2.gz OKXQBFAGWKLVIT-UHFFFAOYSA-N 0 2 402.369 3.920 20 0 HHADLN Cc1ccsc1CNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485034672 997399167 /nfs/dbraw/zinc/39/91/67/997399167.db2.gz OXVKEJRTSRIQEQ-UHFFFAOYSA-N 0 2 408.530 3.636 20 0 HHADLN COC(=O)CSCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000485104655 997483330 /nfs/dbraw/zinc/48/33/30/997483330.db2.gz XCQUNCNJBBDTIC-UHFFFAOYSA-N 0 2 403.884 3.686 20 0 HHADLN COC(=O)CCOc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000485107905 997488630 /nfs/dbraw/zinc/48/86/30/997488630.db2.gz WQRMDBUUEYGZBP-UHFFFAOYSA-N 0 2 421.368 3.587 20 0 HHADLN COCc1cccc2sc(NS(=O)(=O)c3cc(C(=O)OC)cc(C)c3C)nc21 ZINC000476912004 997519225 /nfs/dbraw/zinc/51/92/25/997519225.db2.gz GGGDLEHMHPUHEX-UHFFFAOYSA-N 0 2 420.512 3.647 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2nc3c(s2)CCCC3)c1 ZINC000476913607 997521691 /nfs/dbraw/zinc/52/16/91/997521691.db2.gz NCGKFUZLWQJSTP-UHFFFAOYSA-N 0 2 403.323 3.594 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cccc3cnccc32)nc1C(C)(C)C ZINC000476922928 997535131 /nfs/dbraw/zinc/53/51/31/997535131.db2.gz KCONEUVYRGQCKF-UHFFFAOYSA-N 0 2 405.501 3.576 20 0 HHADLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3cc(C(=O)OC)ccc3OC)sc2C1 ZINC000476926998 997540663 /nfs/dbraw/zinc/54/06/63/997540663.db2.gz MVEFCOAGQQVOIO-LBPRGKRZSA-N 0 2 424.544 3.644 20 0 HHADLN Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000485224750 997598918 /nfs/dbraw/zinc/59/89/18/997598918.db2.gz RHGBLZVMWPHJSU-UHFFFAOYSA-N 0 2 408.412 3.734 20 0 HHADLN C[C@H]1CCCC[C@H]1N(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485357538 997781309 /nfs/dbraw/zinc/78/13/09/997781309.db2.gz MXNMYBQOKKRSCR-XJKSGUPXSA-N 0 2 408.549 3.986 20 0 HHADLN CN(CCc1cccs1)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485363134 997788424 /nfs/dbraw/zinc/78/84/24/997788424.db2.gz YHZVHXFPNVIDCM-UHFFFAOYSA-N 0 2 422.557 3.712 20 0 HHADLN C[C@@H]1CCCC[C@H]1CNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485370123 997795185 /nfs/dbraw/zinc/79/51/85/997795185.db2.gz AOVZXOIJWXOCAR-KGLIPLIRSA-N 0 2 408.549 3.892 20 0 HHADLN C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)[C@@H](C)C1 ZINC000485383126 997810406 /nfs/dbraw/zinc/81/04/06/997810406.db2.gz MDHKMNPJKCWQOD-DVOMOZLQSA-N 0 2 408.549 3.890 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000485383998 997811739 /nfs/dbraw/zinc/81/17/39/997811739.db2.gz ZBKAABDSPCJAFP-IAGOWNOFSA-N 0 2 414.512 3.622 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1nc[nH]n1)c1cc(Cl)ccc1Br ZINC000485389889 997817734 /nfs/dbraw/zinc/81/77/34/997817734.db2.gz LFNQEEJBDUPPDH-UHFFFAOYSA-N 0 2 413.684 3.688 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1OC(F)F)c1ccc(OCC(F)(F)F)nc1 ZINC000477167677 997832972 /nfs/dbraw/zinc/83/29/72/997832972.db2.gz VQMURGWYLYGZNL-UHFFFAOYSA-N 0 2 416.299 3.564 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC(F)F)c1ccc(OCC(F)(F)F)nc1 ZINC000477248615 997922579 /nfs/dbraw/zinc/92/25/79/997922579.db2.gz KYFXYRKSGBQOID-UHFFFAOYSA-N 0 2 416.299 3.564 20 0 HHADLN COc1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)ccc1C ZINC000485499205 997954367 /nfs/dbraw/zinc/95/43/67/997954367.db2.gz UESGCTLDNZBIGJ-UHFFFAOYSA-N 0 2 403.485 3.513 20 0 HHADLN CCc1cc(Br)ccc1NS(=O)(=O)c1ccsc1C(=O)OC ZINC000477427385 998118723 /nfs/dbraw/zinc/11/87/23/998118723.db2.gz KFTCOCBVJZFPOD-UHFFFAOYSA-N 0 2 404.307 3.660 20 0 HHADLN CCCc1nc(C)c(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)s1 ZINC000485729063 998200700 /nfs/dbraw/zinc/20/07/00/998200700.db2.gz XUEJNSBZABBPQL-UHFFFAOYSA-N 0 2 422.557 3.914 20 0 HHADLN Cc1[nH]ncc1CCCNC(=O)CCNC(=O)c1cc(C(C)C)cc(C(C)C)c1O ZINC000477639927 998357034 /nfs/dbraw/zinc/35/70/34/998357034.db2.gz OQHYQYLZLRVYKK-UHFFFAOYSA-N 0 2 414.550 3.539 20 0 HHADLN COC(=O)c1c(C)c(NS(=O)(=O)c2c(C)cccc2F)ccc1Br ZINC000486069409 998517115 /nfs/dbraw/zinc/51/71/15/998517115.db2.gz OARQHZUJMSZTKQ-UHFFFAOYSA-N 0 2 416.268 3.792 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000486085917 998533076 /nfs/dbraw/zinc/53/30/76/998533076.db2.gz JPVJZYACNRVYDA-UHFFFAOYSA-N 0 2 419.528 3.953 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C(C)C)c(C)c1 ZINC000486110159 998556745 /nfs/dbraw/zinc/55/67/45/998556745.db2.gz PHKLIGPMQYOIBQ-UHFFFAOYSA-N 0 2 407.536 3.948 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)ccc1C ZINC000486110545 998557918 /nfs/dbraw/zinc/55/79/18/998557918.db2.gz RIUDAAZXKMTASV-UHFFFAOYSA-N 0 2 413.499 3.892 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cccnc1OCc1ccccc1F ZINC000477998978 998706924 /nfs/dbraw/zinc/70/69/24/998706924.db2.gz JHZFGSQUAKVLHZ-UHFFFAOYSA-N 0 2 424.457 3.782 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc2ccccc2n1CC(F)(F)F ZINC000486443701 998771496 /nfs/dbraw/zinc/77/14/96/998771496.db2.gz UBSYLGMZHLAXHD-UHFFFAOYSA-N 0 2 403.389 3.791 20 0 HHADLN COCc1cccc(S(=O)(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)c1 ZINC000486526185 998808285 /nfs/dbraw/zinc/80/82/85/998808285.db2.gz IHJBBHYDWJPJSD-UHFFFAOYSA-N 0 2 413.286 3.521 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccccc2Cl)ns1 ZINC000486550606 998820936 /nfs/dbraw/zinc/82/09/36/998820936.db2.gz PRIWZOZGNFGIDZ-UHFFFAOYSA-N 0 2 416.311 3.743 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1nc2ccc(NC(C)=O)cc2s1 ZINC000486570224 998832472 /nfs/dbraw/zinc/83/24/72/998832472.db2.gz DQAOITRMHSSYGB-UHFFFAOYSA-N 0 2 411.892 3.718 20 0 HHADLN Cc1cc(C2CN(C(=O)NCc3ccccc3Cn3cccn3)CCO2)ccc1F ZINC000478248846 998845040 /nfs/dbraw/zinc/84/50/40/998845040.db2.gz CAAKTNGXSTUHAS-QFIPXVFZSA-N 0 2 408.477 3.662 20 0 HHADLN Cc1cc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)c(C)n1-c1nccs1 ZINC000478315779 998883140 /nfs/dbraw/zinc/88/31/40/998883140.db2.gz RBCBPTCMHZPXRH-UHFFFAOYSA-N 0 2 400.414 3.866 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cccc3c2C[N@H+](CC(C)C)C3)c(F)c1 ZINC000486838840 998965776 /nfs/dbraw/zinc/96/57/76/998965776.db2.gz TXLGGZPRMOUHQT-UHFFFAOYSA-N 0 2 423.485 3.696 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)[N-]c2cccc3c2C[N@@H+](CC(C)C)C3)c(F)c1 ZINC000486838840 998965780 /nfs/dbraw/zinc/96/57/80/998965780.db2.gz TXLGGZPRMOUHQT-UHFFFAOYSA-N 0 2 423.485 3.696 20 0 HHADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000478467786 998975679 /nfs/dbraw/zinc/97/56/79/998975679.db2.gz LURNTBZWOSGARP-GOSISDBHSA-N 0 2 401.825 3.584 20 0 HHADLN Cc1cn(-c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)c2)c(=O)[nH]1 ZINC000478680012 999085079 /nfs/dbraw/zinc/08/50/79/999085079.db2.gz YHQBJNJPQZECTP-UHFFFAOYSA-N 0 2 415.368 3.845 20 0 HHADLN CC[C@H](C)c1ncc(NS(=O)(=O)c2ccc(Br)c(OC)c2)cn1 ZINC000478683127 999086948 /nfs/dbraw/zinc/08/69/48/999086948.db2.gz WSLJJBHCVKMWQP-JTQLQIEISA-N 0 2 400.298 3.562 20 0 HHADLN O=S(=O)(Nc1cccc2c1CCO2)c1c(Cl)cc(F)cc1Br ZINC000478683494 999087167 /nfs/dbraw/zinc/08/71/67/999087167.db2.gz DACSLVUYNJSCHX-UHFFFAOYSA-N 0 2 406.660 3.977 20 0 HHADLN Cn1cc(-c2cc(F)ccc2NS(=O)(=O)c2ccccc2OC(F)(F)F)cn1 ZINC000478702757 999096605 /nfs/dbraw/zinc/09/66/05/999096605.db2.gz KQGWYKJYRRBWIB-UHFFFAOYSA-N 0 2 415.368 3.926 20 0 HHADLN CC[C@H](C)c1nnc([C@H](C)NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)[nH]1 ZINC000487213812 999099211 /nfs/dbraw/zinc/09/92/11/999099211.db2.gz COQJBIUIBGKLSU-UWVGGRQHSA-N 0 2 405.915 3.795 20 0 HHADLN COC(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2cc(OC)ccc2Cl)c1 ZINC000487376351 999152072 /nfs/dbraw/zinc/15/20/72/999152072.db2.gz VZUSNVWDBVWJKJ-UHFFFAOYSA-N 0 2 413.879 3.723 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000478902551 999202413 /nfs/dbraw/zinc/20/24/13/999202413.db2.gz OULFMXSXQGFYGT-ZDUSSCGKSA-N 0 2 409.298 3.789 20 0 HHADLN CCCCc1nnc(NS(=O)(=O)c2cc(Cl)ccc2OCCCOC)s1 ZINC000479156948 999300756 /nfs/dbraw/zinc/30/07/56/999300756.db2.gz MRJJVYRRGMNMBG-UHFFFAOYSA-N 0 2 419.956 3.750 20 0 HHADLN COc1ccc2nc(NS(=O)(=O)c3ccc(NC(C)=O)c(Cl)c3)sc2c1 ZINC000479261496 999352706 /nfs/dbraw/zinc/35/27/06/999352706.db2.gz SRTWTOBCWKSAQF-UHFFFAOYSA-N 0 2 411.892 3.718 20 0 HHADLN CC(C)Oc1ccc(F)cc1NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000479433916 999414965 /nfs/dbraw/zinc/41/49/65/999414965.db2.gz CVUJMHNRHFBSHR-UHFFFAOYSA-N 0 2 424.469 3.789 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000479487036 999439414 /nfs/dbraw/zinc/43/94/14/999439414.db2.gz YJAZJAZKCWSUJP-UHFFFAOYSA-N 0 2 409.514 3.507 20 0 HHADLN CCN(CC)C(=O)Cn1ccc2cc(NS(=O)(=O)c3c(C)cccc3F)ccc21 ZINC000479495162 999443816 /nfs/dbraw/zinc/44/38/16/999443816.db2.gz FMGGCJUHPAHCMG-UHFFFAOYSA-N 0 2 417.506 3.758 20 0 HHADLN CCOc1cc2c(cc1NS(=O)(=O)c1ccccc1C(F)(F)F)OCCO2 ZINC000488339310 999447862 /nfs/dbraw/zinc/44/78/62/999447862.db2.gz XOSTUYGJESUZPN-UHFFFAOYSA-N 0 2 403.378 3.676 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(OC)cc(OC)c1 ZINC000479505969 999448766 /nfs/dbraw/zinc/44/87/66/999448766.db2.gz VGMQMJGCBGXLIO-UHFFFAOYSA-N 0 2 415.895 3.573 20 0 HHADLN Cc1coc(-c2cc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)ccc2C)n1 ZINC000479506986 999449812 /nfs/dbraw/zinc/44/98/12/999449812.db2.gz VRVKSMNUQQGJQS-UHFFFAOYSA-N 0 2 400.382 3.518 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000479521265 999457976 /nfs/dbraw/zinc/45/79/76/999457976.db2.gz BVFIFPWLUGSTEL-UHFFFAOYSA-N 0 2 415.496 3.881 20 0 HHADLN CCc1cc(Br)ccc1NS(=O)(=O)c1c(OC)cccc1OC ZINC000479521958 999458566 /nfs/dbraw/zinc/45/85/66/999458566.db2.gz AJSJVXYYSHNMMS-UHFFFAOYSA-N 0 2 400.294 3.830 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000479531813 999463900 /nfs/dbraw/zinc/46/39/00/999463900.db2.gz ZGUPYWYJDLFLIK-UHFFFAOYSA-N 0 2 405.394 3.754 20 0 HHADLN COCCc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1 ZINC000488396059 999473757 /nfs/dbraw/zinc/47/37/57/999473757.db2.gz JFQGJPRCDWCKOY-UHFFFAOYSA-N 0 2 423.947 3.772 20 0 HHADLN O=S(=O)(Nc1ncn(-c2ccccc2)n1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488408882 999478627 /nfs/dbraw/zinc/47/86/27/999478627.db2.gz GBGLKJQGJWMCRA-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN O=C(c1ccccc1)c1ccccc1S(=O)(=O)Nc1cccc2c1OCCC2=O ZINC000479561882 999478671 /nfs/dbraw/zinc/47/86/71/999478671.db2.gz GXKUUROAFYTMTB-UHFFFAOYSA-N 0 2 407.447 3.684 20 0 HHADLN O=S(=O)(Nc1cnn(C(F)F)c1)c1ccc2cc(Br)ccc2c1 ZINC000479563218 999478970 /nfs/dbraw/zinc/47/89/70/999478970.db2.gz MTWGITZZBSIXBT-UHFFFAOYSA-N 0 2 402.220 3.995 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1F ZINC000488411501 999479492 /nfs/dbraw/zinc/47/94/92/999479492.db2.gz AJPPYPVOUTUYPD-UHFFFAOYSA-N 0 2 413.883 3.731 20 0 HHADLN Cc1ccnn1-c1ccccc1NS(=O)(=O)c1ccc(Br)cc1F ZINC000479565816 999480351 /nfs/dbraw/zinc/48/03/51/999480351.db2.gz JIFOQQNHAPMXEH-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN CCOC(=O)c1oc(NS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)nc1C ZINC000488429082 999484963 /nfs/dbraw/zinc/48/49/63/999484963.db2.gz WXYAHHZXPAKUDR-UHFFFAOYSA-N 0 2 412.773 3.633 20 0 HHADLN COC[C@@H](NC(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1)c1ccc(Cl)cc1 ZINC000488569446 999530981 /nfs/dbraw/zinc/53/09/81/999530981.db2.gz YZYSULKOPXWWFG-MRXNPFEDSA-N 0 2 418.906 3.798 20 0 HHADLN Cc1ccn2cc(-c3ccc(NS(=O)(=O)c4cnn(CC(F)F)c4)cc3)nc2c1 ZINC000488573444 999532078 /nfs/dbraw/zinc/53/20/78/999532078.db2.gz CRJXJYOMFNVVBW-UHFFFAOYSA-N 0 2 417.441 3.572 20 0 HHADLN CCc1nc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)sc1C ZINC000488577225 999533881 /nfs/dbraw/zinc/53/38/81/999533881.db2.gz WXSFWUNKNXPTSQ-LBPRGKRZSA-N 0 2 416.952 3.883 20 0 HHADLN COCCc1ccc(OCCCC(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1 ZINC000479755322 999574139 /nfs/dbraw/zinc/57/41/39/999574139.db2.gz ONUAEFSRZHVAGJ-UHFFFAOYSA-N 0 2 416.428 3.737 20 0 HHADLN COc1cccc2c1CCN(C(=O)N=c1nc(-c3ccccc3Cl)[nH]s1)CC2 ZINC000488774220 999602974 /nfs/dbraw/zinc/60/29/74/999602974.db2.gz HLDKSBDTFPQIPU-UHFFFAOYSA-N 0 2 414.918 3.922 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cnccc2Oc2ccccc2)cnn1-c1ccccn1 ZINC000479978563 999671637 /nfs/dbraw/zinc/67/16/37/999671637.db2.gz HJEKGHIMUOOONN-UHFFFAOYSA-N 0 2 407.455 3.564 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2C)c(F)c1 ZINC000480187348 999739555 /nfs/dbraw/zinc/73/95/55/999739555.db2.gz BVAZBSDBWLQALI-CQSZACIVSA-N 0 2 420.506 3.816 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cnn1-c1ccccc1C ZINC000480190263 999740279 /nfs/dbraw/zinc/74/02/79/999740279.db2.gz AFRRKJYVDIXJEZ-UHFFFAOYSA-N 0 2 424.526 3.671 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cc(F)ccc3OCC3CC3)cc21 ZINC000480235473 999752839 /nfs/dbraw/zinc/75/28/39/999752839.db2.gz YSMLJFHTTKTCJQ-UHFFFAOYSA-N 0 2 418.490 3.714 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(Br)cc(OC)c2)c1C ZINC000480238202 999753285 /nfs/dbraw/zinc/75/32/85/999753285.db2.gz BYVBAQFLQOLIGS-SNVBAGLBSA-N 0 2 402.314 3.734 20 0 HHADLN CCc1c(NS(=O)(=O)c2c(C)nn(CC)c2C)cnn1-c1ccccc1Cl ZINC000480243356 999754978 /nfs/dbraw/zinc/75/49/78/999754978.db2.gz DFNQEDSNAVBPPL-UHFFFAOYSA-N 0 2 407.927 3.722 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(N(C)C)ccc2Br)c1C ZINC000480247281 999755718 /nfs/dbraw/zinc/75/57/18/999755718.db2.gz ZXNUAZHSFOKJME-NSHDSACASA-N 0 2 415.357 3.792 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cnn(C(CC)CC)c2CC)c1C ZINC000480249195 999756203 /nfs/dbraw/zinc/75/62/03/999756203.db2.gz PBVMLBOKYWVMHR-UHFFFAOYSA-N 0 2 410.540 3.729 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CCSC[C@@H](C)C2)cc1 ZINC000489542537 999788307 /nfs/dbraw/zinc/78/83/07/999788307.db2.gz BAJIIDDLEQLBHZ-AWEZNQCLSA-N 0 2 410.586 3.682 20 0 HHADLN COc1ccc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)c(OC2CCCC2)c1 ZINC000480446620 999801151 /nfs/dbraw/zinc/80/11/51/999801151.db2.gz LBIYMZUDSLUWFQ-UHFFFAOYSA-N 0 2 422.485 3.644 20 0 HHADLN O=C(NCc1n[nH]c(=O)[nH]1)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000480492916 999810836 /nfs/dbraw/zinc/81/08/36/999810836.db2.gz IZZGXPBVUKQLLV-OAHLLOKOSA-N 0 2 409.298 3.967 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N(C)Cc3ccc([S@](C)=O)cc3)=N2)cc1 ZINC000490026938 999880516 /nfs/dbraw/zinc/88/05/16/999880516.db2.gz PYNQJUYMTQLWMM-LJAQVGFWSA-N 0 2 411.527 3.711 20 0 HHADLN CCCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)sc1C ZINC000490058875 999886900 /nfs/dbraw/zinc/88/69/00/999886900.db2.gz LOFIEODDGUJIIP-UHFFFAOYSA-N 0 2 422.557 3.914 20 0 HHADLN CC1(C)CCCC[C@H]1CC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000490086872 999890807 /nfs/dbraw/zinc/89/08/07/999890807.db2.gz LUIDGOFFLKSFCG-ZDUSSCGKSA-N 0 2 408.549 3.884 20 0 HHADLN CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000490092485 999892073 /nfs/dbraw/zinc/89/20/73/999892073.db2.gz WATIFBCNBVDFQJ-AWEZNQCLSA-N 0 2 408.549 3.884 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2cc(C3CC3)[nH]n2)cc1 ZINC000490101699 999893328 /nfs/dbraw/zinc/89/33/28/999893328.db2.gz BXAFHQJPWKSIKV-UHFFFAOYSA-N 0 2 402.501 3.710 20 0 HHADLN Cc1cc(C)cc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)c1 ZINC000490103269 999893535 /nfs/dbraw/zinc/89/35/35/999893535.db2.gz OXUVOFBOZRGZOM-UHFFFAOYSA-N 0 2 416.528 3.527 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC(Cc3ccccc3CO)CC2)=N1 ZINC000490298262 999931045 /nfs/dbraw/zinc/93/10/45/999931045.db2.gz HXXOPCSQXNRLSG-UHFFFAOYSA-N 0 2 423.488 3.613 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(F)c(Cl)c2)c(OC)c1 ZINC000491582313 1000085806 /nfs/dbraw/zinc/08/58/06/1000085806.db2.gz WQYXIUZWJLMEPM-UHFFFAOYSA-N 0 2 408.234 3.729 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cc(Cl)c(F)c(Cl)c2)c(OC)c1 ZINC000491590059 1000086751 /nfs/dbraw/zinc/08/67/51/1000086751.db2.gz WZTSRPBOVJKAOC-UHFFFAOYSA-N 0 2 410.250 3.959 20 0 HHADLN CC(C)c1cccc(NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)c1 ZINC000492283050 1000119885 /nfs/dbraw/zinc/11/98/85/1000119885.db2.gz ZGRSEYJRWGLOCQ-UHFFFAOYSA-N 0 2 404.517 3.658 20 0 HHADLN O=c1[nH]c2ccc(S(=O)(=O)Nc3cnn(-c4cccc(C(F)(F)F)c4)c3)cc2o1 ZINC000505287082 1000672636 /nfs/dbraw/zinc/67/26/36/1000672636.db2.gz HQLHEYTVJFKPNX-UHFFFAOYSA-N 0 2 424.360 3.539 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000505293940 1000677762 /nfs/dbraw/zinc/67/77/62/1000677762.db2.gz OMRCLIKSRYHYHC-UHFFFAOYSA-N 0 2 402.428 3.671 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCC[C@]3(CO)Cc3ccccc3)=N2)c1 ZINC000505928394 1001108153 /nfs/dbraw/zinc/10/81/53/1001108153.db2.gz NHCIUUAWSYCTCU-RUZDIDTESA-N 0 2 419.525 3.911 20 0 HHADLN Cc1cc([C@@H]2CN(C(=O)C3=NN(c4ccc(F)cc4C)CC3=O)CCO2)ccc1F ZINC000497346338 1001302304 /nfs/dbraw/zinc/30/23/04/1001302304.db2.gz YFUVRYKHALPHEQ-FQEVSTJZSA-N 0 2 413.424 3.687 20 0 HHADLN COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1csc2ccccc21 ZINC000506566055 1001460665 /nfs/dbraw/zinc/46/06/65/1001460665.db2.gz ZXLBGSJLXCVZQB-UHFFFAOYSA-N 0 2 407.469 3.506 20 0 HHADLN O=S(=O)(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccoc1 ZINC000506585675 1001464718 /nfs/dbraw/zinc/46/47/18/1001464718.db2.gz ZNHOWFIEFMWGCF-UHFFFAOYSA-N 0 2 412.876 3.535 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(OC)cc1C ZINC000506659012 1001485748 /nfs/dbraw/zinc/48/57/48/1001485748.db2.gz AQXSIIQXFAKBPP-UHFFFAOYSA-N 0 2 404.271 3.898 20 0 HHADLN Cc1ccccc1[C@@H](C)CC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000497791551 1001515115 /nfs/dbraw/zinc/51/51/15/1001515115.db2.gz AQNZSVGCAAGJLV-AWEZNQCLSA-N 0 2 416.528 3.780 20 0 HHADLN CCc1nc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)sc1C ZINC000506820228 1001548486 /nfs/dbraw/zinc/54/84/86/1001548486.db2.gz IENPLHJBGSXRDR-UHFFFAOYSA-N 0 2 409.316 3.908 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc3c(s2)C[C@@H](CC)CC3)c1 ZINC000506822207 1001549673 /nfs/dbraw/zinc/54/96/73/1001549673.db2.gz PFBPFWBOQULWQB-ZDUSSCGKSA-N 0 2 408.545 3.564 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2nnc(/C=C/c3ccco3)s2)ccc1C ZINC000506832948 1001555543 /nfs/dbraw/zinc/55/55/43/1001555543.db2.gz CWPRJRXQOHUUBD-VQHVLOKHSA-N 0 2 419.484 3.587 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2nnc(/C=C\c3ccco3)s2)ccc1C ZINC000506832947 1001555639 /nfs/dbraw/zinc/55/56/39/1001555639.db2.gz CWPRJRXQOHUUBD-CLFYSBASSA-N 0 2 419.484 3.587 20 0 HHADLN COc1ccc(C(=O)N2CCCC2)cc1NS(=O)(=O)c1cc(C)ccc1Cl ZINC000498007754 1001601202 /nfs/dbraw/zinc/60/12/02/1001601202.db2.gz MXFJYEYERCWWFU-UHFFFAOYSA-N 0 2 408.907 3.694 20 0 HHADLN Cc1nnc(-c2ccccc2NS(=O)(=O)c2cc(C)ccc2Br)o1 ZINC000498012431 1001604443 /nfs/dbraw/zinc/60/44/43/1001604443.db2.gz OGPYTKZJJAJDHQ-UHFFFAOYSA-N 0 2 408.277 3.917 20 0 HHADLN COCCOc1ccc(F)cc1NS(=O)(=O)c1cc(C)ccc1Br ZINC000498016356 1001606595 /nfs/dbraw/zinc/60/65/95/1001606595.db2.gz QJORIXGXICEVTH-UHFFFAOYSA-N 0 2 418.284 3.723 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2cnc(-c3cccc(O)c3)nc2)c1 ZINC000498034568 1001615981 /nfs/dbraw/zinc/61/59/81/1001615981.db2.gz USFUQPBOFIXIQZ-UHFFFAOYSA-N 0 2 420.288 3.721 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)[C@@H](C)Oc3ccc(F)cc3Cl)s[nH]2)c1 ZINC000498097467 1001640086 /nfs/dbraw/zinc/64/00/86/1001640086.db2.gz GXHUBDYXFXDLFG-SNVBAGLBSA-N 0 2 407.854 3.834 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](C)c3ccc(OC)c(F)c3)s[nH]2)c1 ZINC000498211155 1001695681 /nfs/dbraw/zinc/69/56/81/1001695681.db2.gz SPQZCCWREHGTAD-NSHDSACASA-N 0 2 402.451 3.666 20 0 HHADLN O=C(c1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1)N1CCc2ccccc21 ZINC000498434488 1001864881 /nfs/dbraw/zinc/86/48/81/1001864881.db2.gz QKTPRCVWIJBBDT-UHFFFAOYSA-N 0 2 414.433 3.969 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1cccc2cc(Br)cnc21 ZINC000507596748 1002203744 /nfs/dbraw/zinc/20/37/44/1002203744.db2.gz OWMTYKSKQWHKPP-UHFFFAOYSA-N 0 2 407.289 3.945 20 0 HHADLN CC1(C)CC(=O)c2cc(NS(=O)(=O)c3cnc(-c4ccccc4)nc3)ccc2O1 ZINC000507638431 1002240083 /nfs/dbraw/zinc/24/00/83/1002240083.db2.gz SMHXDNDBOYRFIB-UHFFFAOYSA-N 0 2 409.467 3.688 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3Cl)c2C(C)C)cn1 ZINC000507903765 1002438443 /nfs/dbraw/zinc/43/84/43/1002438443.db2.gz HIXWQGIYXLMBAN-UHFFFAOYSA-N 0 2 406.895 3.854 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1OC ZINC000507920514 1002455216 /nfs/dbraw/zinc/45/52/16/1002455216.db2.gz KHMGNCLOONMVSF-UHFFFAOYSA-N 0 2 423.796 3.955 20 0 HHADLN COC(=O)c1ccc(OCc2ccccc2)c(NS(=O)(=O)c2ccsc2)c1 ZINC000507935215 1002469430 /nfs/dbraw/zinc/46/94/30/1002469430.db2.gz MWDOPGRYTSVUGQ-UHFFFAOYSA-N 0 2 403.481 3.915 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cc(O)c(Br)cc2Br)o1 ZINC000507962736 1002494940 /nfs/dbraw/zinc/49/49/40/1002494940.db2.gz DUKPURWBPNSLDU-UHFFFAOYSA-N 0 2 411.071 3.619 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1ccccc1 ZINC000508082531 1002604209 /nfs/dbraw/zinc/60/42/09/1002604209.db2.gz HTSPQNHRYSMJJD-UHFFFAOYSA-N 0 2 401.391 3.905 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccccn2)s1)c1ccc(F)c(Br)c1 ZINC000508087781 1002609961 /nfs/dbraw/zinc/60/99/61/1002609961.db2.gz XSSQTYVCVZFIHM-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)(F)F)c2)s1)c1ccsc1 ZINC000508088011 1002611270 /nfs/dbraw/zinc/61/12/70/1002611270.db2.gz YLULHRLAUQRFSR-UHFFFAOYSA-N 0 2 407.420 3.966 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc3c(s2)CSCC3)c(Br)c1 ZINC000508120546 1002648938 /nfs/dbraw/zinc/64/89/38/1002648938.db2.gz VFDQPPPSSVPKRF-UHFFFAOYSA-N 0 2 421.363 3.504 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)CSCC2)c1ccc(Br)c(F)c1 ZINC000508143064 1002677501 /nfs/dbraw/zinc/67/75/01/1002677501.db2.gz QQDILEMPGNRPII-UHFFFAOYSA-N 0 2 409.327 3.635 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc(OC4CCC4)c(F)c3)cnc2c1Cl ZINC000499296121 1002706068 /nfs/dbraw/zinc/70/60/68/1002706068.db2.gz MVGRCTSBPHRJFF-UHFFFAOYSA-N 0 2 410.858 3.562 20 0 HHADLN Cc1c(Br)cccc1S(=O)(=O)Nc1nnc(-c2ccc(F)cc2)o1 ZINC000508213141 1002744698 /nfs/dbraw/zinc/74/46/98/1002744698.db2.gz AYDRPEXKJNDFGW-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(Br)s1 ZINC000508246371 1002770024 /nfs/dbraw/zinc/77/00/24/1002770024.db2.gz JVZDGKFNMPPCJI-UHFFFAOYSA-N 0 2 404.242 3.501 20 0 HHADLN COc1cccc([C@H](C)N2CCN(C(=O)N=c3nc(-c4ccccc4)[nH]s3)CC2)c1 ZINC000508270267 1002786237 /nfs/dbraw/zinc/78/62/37/1002786237.db2.gz GRUXALBBEWLKJS-INIZCTEOSA-N 0 2 423.542 3.546 20 0 HHADLN Cc1cc(-c2nnc(N(C)Cc3nc(=O)c4sccc4[nH]3)n2C)c2ccccc2n1 ZINC000508422232 1002909754 /nfs/dbraw/zinc/90/97/54/1002909754.db2.gz OTODFCPAIGLLJC-UHFFFAOYSA-N 0 2 417.498 3.685 20 0 HHADLN CC(C)CC(=O)Nc1cccc(CNC(=O)C2=NN(c3ccc(F)cc3)CC2=O)c1 ZINC000499700748 1003051120 /nfs/dbraw/zinc/05/11/20/1003051120.db2.gz XBCXDABYGNBSCL-UHFFFAOYSA-N 0 2 410.449 3.632 20 0 HHADLN COCCN(Cc1scnc1C)C(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O ZINC000508632250 1003082358 /nfs/dbraw/zinc/08/23/58/1003082358.db2.gz OBMKIRQZWFAEJB-UHFFFAOYSA-N 0 2 414.531 3.755 20 0 HHADLN COc1ccc([C@@H]2CCCN2C(=O)C2=NN(c3ccc(F)cc3)CC2=O)cc1OC ZINC000499743605 1003088877 /nfs/dbraw/zinc/08/88/77/1003088877.db2.gz QARQUGBWOGJCTO-KRWDZBQOSA-N 0 2 411.433 3.712 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(C)Cc3cc(Br)cs3)=N2)cc1 ZINC000499793168 1003128792 /nfs/dbraw/zinc/12/87/92/1003128792.db2.gz BGKYHONYHNHMJI-UHFFFAOYSA-N 0 2 422.304 3.683 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(C)CCCOc3ccc(Cl)cc3)=N2)cc1 ZINC000499794227 1003130180 /nfs/dbraw/zinc/13/01/80/1003130180.db2.gz CHDKFGHYIPEDBB-UHFFFAOYSA-N 0 2 415.877 3.781 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCSC[C@H]3c3ccc(C)cc3)=N2)cc1 ZINC000499835003 1003170568 /nfs/dbraw/zinc/17/05/68/1003170568.db2.gz BULFENZCLVBJDD-IBGZPJMESA-N 0 2 409.511 3.825 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC(C(F)(F)F)(C(F)(F)F)C3)=N2)cc1 ZINC000499836360 1003172524 /nfs/dbraw/zinc/17/25/24/1003172524.db2.gz GQOGEGJDDVIYGT-UHFFFAOYSA-N 0 2 423.313 3.543 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC[C@H]3CC(=O)c3cccs3)=N2)cc1 ZINC000499841237 1003178256 /nfs/dbraw/zinc/17/82/56/1003178256.db2.gz TYKMVDPPZAAKNS-HNNXBMFYSA-N 0 2 411.483 3.526 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](C)c3cccc(N4CCCC4)c3)=N2)cc1 ZINC000499874412 1003210521 /nfs/dbraw/zinc/21/05/21/1003210521.db2.gz VDQXNMXNUGNXII-INIZCTEOSA-N 0 2 406.486 3.678 20 0 HHADLN COc1ccc(CC2CCN(C(=O)C3=NN(c4ccc(F)cc4)CC3=O)CC2)cc1 ZINC000499931191 1003254904 /nfs/dbraw/zinc/25/49/04/1003254904.db2.gz PBTODBDCBQZBBU-UHFFFAOYSA-N 0 2 409.461 3.821 20 0 HHADLN COCCSc1ccc([C@H](C)NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)cc1 ZINC000499954202 1003275148 /nfs/dbraw/zinc/27/51/48/1003275148.db2.gz DEKRZCCXBCJJKO-AWEZNQCLSA-N 0 2 415.490 3.947 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](c3nccs3)c3ccccc3)=N2)cc1 ZINC000499968598 1003287215 /nfs/dbraw/zinc/28/72/15/1003287215.db2.gz MBJOVTKDJFFVBO-SFHVURJKSA-N 0 2 406.467 3.562 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)CCc1cncs1 ZINC000509036492 1003506054 /nfs/dbraw/zinc/50/60/54/1003506054.db2.gz YWZTXFKEMDTSBK-UHFFFAOYSA-N 0 2 419.503 3.963 20 0 HHADLN CC(=O)Nc1ccc(Br)cc1NS(=O)(=O)c1cnc2ccccc2c1 ZINC000509064276 1003526714 /nfs/dbraw/zinc/52/67/14/1003526714.db2.gz IPKSNOUVAZXTIG-UHFFFAOYSA-N 0 2 420.288 3.757 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C)n(C2CCOCC2)n1 ZINC000509218803 1003632519 /nfs/dbraw/zinc/63/25/19/1003632519.db2.gz QBLWNTVSZDDVIV-UHFFFAOYSA-N 0 2 403.426 3.671 20 0 HHADLN Cc1ccc(Cc2cnc(NS(=O)(=O)c3cccc4c3OCO4)s2)cc1F ZINC000509219097 1003632627 /nfs/dbraw/zinc/63/26/27/1003632627.db2.gz RGSYNJCWUQQNTD-UHFFFAOYSA-N 0 2 406.460 3.711 20 0 HHADLN O=S(=O)(Nc1nnc(-c2c(F)cccc2Cl)s1)c1cccc2c1OCO2 ZINC000509221133 1003634267 /nfs/dbraw/zinc/63/42/67/1003634267.db2.gz WGCLEVHIHOHVJZ-UHFFFAOYSA-N 0 2 413.839 3.527 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](c3cccc(F)c3)c3ccccn3)=N2)cc1 ZINC000500427844 1003710255 /nfs/dbraw/zinc/71/02/55/1003710255.db2.gz SKYCJZDMBPBJDP-OAQYLSRUSA-N 0 2 418.428 3.640 20 0 HHADLN COc1cncc(S(=O)(=O)Nc2ncc(Cc3ccc(Cl)cc3C)s2)c1 ZINC000500493484 1003746328 /nfs/dbraw/zinc/74/63/28/1003746328.db2.gz BTFQNBYTEXCAIS-UHFFFAOYSA-N 0 2 409.920 3.900 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1ccc(Br)c2cccnc12 ZINC000509377234 1003806963 /nfs/dbraw/zinc/80/69/63/1003806963.db2.gz WCKROEXSFKOOAE-UHFFFAOYSA-N 0 2 407.289 3.945 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2cccc(-n3cccc3)c2)c1 ZINC000509382889 1003812941 /nfs/dbraw/zinc/81/29/41/1003812941.db2.gz GAIHUODCGOVZJN-UHFFFAOYSA-N 0 2 418.446 3.603 20 0 HHADLN Cc1nc(C(F)(F)F)ccc1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000509397011 1003828139 /nfs/dbraw/zinc/82/81/39/1003828139.db2.gz PQGYLUPXZQMWGP-UHFFFAOYSA-N 0 2 408.785 3.634 20 0 HHADLN CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1Cl ZINC000509555036 1003942731 /nfs/dbraw/zinc/94/27/31/1003942731.db2.gz HTDBZCBCJCBBHE-UHFFFAOYSA-N 0 2 402.850 3.805 20 0 HHADLN O=C(c1cccc(NS(=O)(=O)c2cccc(F)c2F)c1)N1CCc2ccccc21 ZINC000509578518 1003957042 /nfs/dbraw/zinc/95/70/42/1003957042.db2.gz RDTQWOPXSQLWJO-UHFFFAOYSA-N 0 2 414.433 3.969 20 0 HHADLN COc1cccc(-c2nsc(NS(=O)(=O)c3cc(C)c(F)cc3Cl)n2)c1 ZINC000512342663 1004230176 /nfs/dbraw/zinc/23/01/76/1004230176.db2.gz LXYGQEKGSXCSTJ-UHFFFAOYSA-N 0 2 413.883 3.537 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccc(Cl)c2)ns1)c1ccccc1OC(F)F ZINC000512361962 1004247351 /nfs/dbraw/zinc/24/73/51/1004247351.db2.gz GBLFUDRCFJKJIP-UHFFFAOYSA-N 0 2 417.846 3.683 20 0 HHADLN CN1c2ccc(S(=O)(=O)Nc3nc4c(s3)CCCCC4)c3cccc(c23)C1=O ZINC000512362462 1004248321 /nfs/dbraw/zinc/24/83/21/1004248321.db2.gz KHYNZKDAPICUSC-UHFFFAOYSA-N 0 2 413.524 3.956 20 0 HHADLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000510124936 1004341710 /nfs/dbraw/zinc/34/17/10/1004341710.db2.gz NKKWMQHPKGSXTI-LBPRGKRZSA-N 0 2 403.891 3.958 20 0 HHADLN O=S(=O)(Nc1nccs1)c1cccc(NCc2cnc([C@H]3CCCO3)s2)c1 ZINC000512615289 1004427941 /nfs/dbraw/zinc/42/79/41/1004427941.db2.gz VWRBLRBOCBCCMB-OAHLLOKOSA-N 0 2 422.557 3.864 20 0 HHADLN O=C(c1oc2ccccc2c1COc1ccccc1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510299834 1004461377 /nfs/dbraw/zinc/46/13/77/1004461377.db2.gz WNBJSLHSZKWEJS-HNNXBMFYSA-N 0 2 418.453 3.855 20 0 HHADLN CCC1(C(=O)N=c2nc(-c3ccccc3)[nH]s2)CCN(C(=O)c2ccccc2)CC1 ZINC000510315307 1004473978 /nfs/dbraw/zinc/47/39/78/1004473978.db2.gz ZXPPTETVWUBBFL-UHFFFAOYSA-N 0 2 420.538 3.898 20 0 HHADLN COCCOc1ccc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1 ZINC000512664216 1004475771 /nfs/dbraw/zinc/47/57/71/1004475771.db2.gz YAXVDURBCXENOM-UHFFFAOYSA-N 0 2 419.528 3.581 20 0 HHADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccccc1OCC(F)F ZINC000512776872 1004553800 /nfs/dbraw/zinc/55/38/00/1004553800.db2.gz VMTOGGCTDQJFRI-UHFFFAOYSA-N 0 2 405.806 3.571 20 0 HHADLN COC(=O)[C@H]1CC[C@H]1C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000512944493 1004715042 /nfs/dbraw/zinc/71/50/42/1004715042.db2.gz DIDLFYAUZJDCLR-SJORKVTESA-N 0 2 409.467 3.557 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc(F)cc3C(F)(F)F)cnc2c1Cl ZINC000501934537 1004817111 /nfs/dbraw/zinc/81/71/11/1004817111.db2.gz WQUIDGGWCQVCAA-UHFFFAOYSA-N 0 2 408.764 3.650 20 0 HHADLN Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000501984920 1004846325 /nfs/dbraw/zinc/84/63/25/1004846325.db2.gz OEGPLKVHBHZMDP-HNNXBMFYSA-N 0 2 410.236 3.556 20 0 HHADLN O=C(Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1cc2c(s1)CCCC2 ZINC000510846434 1004888822 /nfs/dbraw/zinc/88/88/22/1004888822.db2.gz LDCOMVKRWVQBHE-UHFFFAOYSA-N 0 2 420.541 3.532 20 0 HHADLN CC[C@@H](c1ccccc1OC)N(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000502166212 1004934111 /nfs/dbraw/zinc/93/41/11/1004934111.db2.gz KSJRCWJFYQGLDV-SFHVURJKSA-N 0 2 409.490 3.685 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)c1F ZINC000513443068 1004968682 /nfs/dbraw/zinc/96/86/82/1004968682.db2.gz MGALRTNYZJWAOI-UHFFFAOYSA-N 0 2 412.486 3.907 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)c1 ZINC000502398176 1005056531 /nfs/dbraw/zinc/05/65/31/1005056531.db2.gz JGJOZYYOWQXMDY-OAHLLOKOSA-N 0 2 405.520 3.587 20 0 HHADLN CCCCc1nnc(NS(=O)(=O)c2cc(F)c(Br)cc2OC)s1 ZINC000502419105 1005067895 /nfs/dbraw/zinc/06/78/95/1005067895.db2.gz WNSJWNYFWBFRAM-UHFFFAOYSA-N 0 2 424.317 3.592 20 0 HHADLN COC(=O)c1sccc1NS(=O)(=O)c1c(C)cc(Br)cc1C ZINC000511259827 1005095835 /nfs/dbraw/zinc/09/58/35/1005095835.db2.gz KLISMITUGZQYKE-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc(F)c(Br)c(Cl)c1 ZINC000502541374 1005110407 /nfs/dbraw/zinc/11/04/07/1005110407.db2.gz YULJFLXJGAFWAO-UHFFFAOYSA-N 0 2 413.659 3.829 20 0 HHADLN CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC000513816883 1005141869 /nfs/dbraw/zinc/14/18/69/1005141869.db2.gz WGXRDDBHTAGWEN-UHFFFAOYSA-N 0 2 417.405 4.000 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cccc(-c3ncco3)c2)cc1Cl ZINC000513818929 1005143350 /nfs/dbraw/zinc/14/33/50/1005143350.db2.gz MOWYHLJBRBKFKY-UHFFFAOYSA-N 0 2 409.826 3.893 20 0 HHADLN Cc1noc(C2(C)CCN(C(=O)C3=NN(c4ccc(C(C)C)cc4)CC3=O)CC2)n1 ZINC000511375411 1005146315 /nfs/dbraw/zinc/14/63/15/1005146315.db2.gz DAVMHYYIRGWVKX-UHFFFAOYSA-N 0 2 409.490 3.587 20 0 HHADLN C[C@@H](CC1CCCCC1)C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1 ZINC000511542217 1005216949 /nfs/dbraw/zinc/21/69/49/1005216949.db2.gz RUYWZZGPHWARHZ-ZDUSSCGKSA-N 0 2 408.549 3.884 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc3nc[nH]c3c2)cc1 ZINC000511551219 1005221111 /nfs/dbraw/zinc/22/11/11/1005221111.db2.gz GNXBWAMIKOLTFB-UHFFFAOYSA-N 0 2 406.467 3.924 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCC(C)(C)C3)cc2)nc(C)n1 ZINC000514164064 1005295269 /nfs/dbraw/zinc/29/52/69/1005295269.db2.gz FDOBZKRFGOKGEG-OAHLLOKOSA-N 0 2 402.520 3.659 20 0 HHADLN CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000511768632 1005316266 /nfs/dbraw/zinc/31/62/66/1005316266.db2.gz FOFWQVFCRUOMRA-BEFAXECRSA-N 0 2 420.538 3.565 20 0 HHADLN CCCN(C(=O)C1=NN(c2ccc(F)cc2)CC1=O)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000504253169 1005582878 /nfs/dbraw/zinc/58/28/78/1005582878.db2.gz HLPRHZWIQKDATK-INIZCTEOSA-N 0 2 424.476 3.987 20 0 HHADLN Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NC2CC(C)(C)CC(C)(C)C2)cn1 ZINC000514439327 1005991377 /nfs/dbraw/zinc/99/13/77/1005991377.db2.gz KSVZUZLTCFYECQ-UHFFFAOYSA-N 0 2 424.592 3.617 20 0 HHADLN COc1ccccc1CN(C[C@@H]1CCCO1)C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000531342055 1006135321 /nfs/dbraw/zinc/13/53/21/1006135321.db2.gz VTJTWJRRWVLXEE-SFHVURJKSA-N 0 2 424.526 3.849 20 0 HHADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc(SC)nc1 ZINC000531349856 1006140187 /nfs/dbraw/zinc/14/01/87/1006140187.db2.gz YCWXPPSFEVPBPX-UHFFFAOYSA-N 0 2 403.323 3.684 20 0 HHADLN CC(C)c1ccccc1S(=O)(=O)Nc1ccnn1-c1ccc(Br)cn1 ZINC000514838978 1006167264 /nfs/dbraw/zinc/16/72/64/1006167264.db2.gz SDJXEDATONYKOZ-UHFFFAOYSA-N 0 2 421.320 3.954 20 0 HHADLN COc1cccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c1F ZINC000534205006 1006197489 /nfs/dbraw/zinc/19/74/89/1006197489.db2.gz MADKBLNRLMXRCC-UHFFFAOYSA-N 0 2 409.190 3.773 20 0 HHADLN COc1cc(OC)c(NS(=O)(=O)c2ccc(F)cc2Br)cc1F ZINC000531527250 1006256118 /nfs/dbraw/zinc/25/61/18/1006256118.db2.gz NKTVJCHPGIYBPJ-UHFFFAOYSA-N 0 2 408.220 3.545 20 0 HHADLN O=S(=O)(Nc1nnc(CC2CCCCC2)o1)c1ccc(F)c(Br)c1 ZINC000515122958 1006303893 /nfs/dbraw/zinc/30/38/93/1006303893.db2.gz FBAPLSIAOCQJRC-UHFFFAOYSA-N 0 2 418.288 3.895 20 0 HHADLN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)N=c2nc(-c3ccccc3)[nH]s2)C1 ZINC000531623095 1006312555 /nfs/dbraw/zinc/31/25/55/1006312555.db2.gz QKIVUGNGTXRJFA-CQSZACIVSA-N 0 2 402.520 3.603 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(C)cc3Br)s[nH]2)c1 ZINC000534376695 1006345724 /nfs/dbraw/zinc/34/57/24/1006345724.db2.gz KIWZMGONTNQLNE-UHFFFAOYSA-N 0 2 404.289 3.959 20 0 HHADLN CC(C)Cn1nc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)c2ccccc2c1=O ZINC000515243764 1006356127 /nfs/dbraw/zinc/35/61/27/1006356127.db2.gz PYSXEWOFIRORTQ-UHFFFAOYSA-N 0 2 422.876 3.743 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2cccc(OCc3cccc(OC)c3)c2C)cn1 ZINC000534399930 1006375828 /nfs/dbraw/zinc/37/58/28/1006375828.db2.gz ALQGKFVFRQHYDS-UHFFFAOYSA-N 0 2 401.488 3.600 20 0 HHADLN O=S(=O)(Nc1cncc(Br)c1)c1cc(F)ccc1Br ZINC000534496627 1006494846 /nfs/dbraw/zinc/49/48/46/1006494846.db2.gz JQQGZJIWIYGOGA-UHFFFAOYSA-N 0 2 410.062 3.547 20 0 HHADLN CC(C)[C@H](CNC(=O)CSc1nc(=O)cc(O)n1C1CCCC1)c1ccccc1 ZINC000515566497 1006540484 /nfs/dbraw/zinc/54/04/84/1006540484.db2.gz SEMAATVMTWNJID-SFHVURJKSA-N 0 2 415.559 3.712 20 0 HHADLN COc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000515679097 1006584781 /nfs/dbraw/zinc/58/47/81/1006584781.db2.gz HKMSCVKWDSPGSY-UHFFFAOYSA-N 0 2 410.923 3.975 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)nc1C1CC1 ZINC000534673503 1006650851 /nfs/dbraw/zinc/65/08/51/1006650851.db2.gz SQYVAUXARFTAGV-UHFFFAOYSA-N 0 2 424.397 3.766 20 0 HHADLN C[C@H]1C[C@@H]1c1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 ZINC000532156507 1006681023 /nfs/dbraw/zinc/68/10/23/1006681023.db2.gz BMAIGANNKUJZBA-LRDDRELGSA-N 0 2 417.512 3.590 20 0 HHADLN O=S(=O)(c1cccc2cccnc21)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000534743733 1006734941 /nfs/dbraw/zinc/73/49/41/1006734941.db2.gz TYOPDWFHJIFBSN-KRWDZBQOSA-N 0 2 405.483 3.546 20 0 HHADLN COCCOc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)s3)[nH]n2)cc1 ZINC000534799042 1006802828 /nfs/dbraw/zinc/80/28/28/1006802828.db2.gz CNHBOJBNDFDGRA-UHFFFAOYSA-N 0 2 413.908 3.618 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N1CCc2ccsc2C1 ZINC000534826231 1006836192 /nfs/dbraw/zinc/83/61/92/1006836192.db2.gz PYORJHVJPKMDKP-UHFFFAOYSA-N 0 2 420.541 3.596 20 0 HHADLN COc1cccc(-c2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)n(C)n2)c1 ZINC000534941423 1006982164 /nfs/dbraw/zinc/98/21/64/1006982164.db2.gz JIIOFTPDIUOYOB-UHFFFAOYSA-N 0 2 411.405 3.915 20 0 HHADLN CCCCCOc1ccc(S(=O)(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1 ZINC000516344126 1007030117 /nfs/dbraw/zinc/03/01/17/1007030117.db2.gz BQEQZRNLPABYKR-UHFFFAOYSA-N 0 2 421.544 3.787 20 0 HHADLN O=S(=O)(Nc1ccc(OCc2ccccc2)nc1)c1cncc(Br)c1 ZINC000532616244 1007042431 /nfs/dbraw/zinc/04/24/31/1007042431.db2.gz QYKWNRLBXBTXKA-UHFFFAOYSA-N 0 2 420.288 3.619 20 0 HHADLN C[C@H](CC(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1ccc(F)cc1 ZINC000516402338 1007063288 /nfs/dbraw/zinc/06/32/88/1007063288.db2.gz MZXGPHNHLXAYAC-GFCCVEGCSA-N 0 2 420.491 3.610 20 0 HHADLN CN1CC[C@H](NC(=O)c2cccc(Br)c2O)[C@H]1c1ccc(F)c(F)c1 ZINC000535023725 1007069450 /nfs/dbraw/zinc/06/94/50/1007069450.db2.gz QWUFEOOWLIUPSE-JKSUJKDBSA-N 0 2 411.246 3.608 20 0 HHADLN CCSc1cccc(F)c1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000516516655 1007127301 /nfs/dbraw/zinc/12/73/01/1007127301.db2.gz AZHKUFSKGNMJTA-UHFFFAOYSA-N 0 2 401.467 3.957 20 0 HHADLN O=C(Nc1cccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)c1)c1ccc(F)cc1 ZINC000516671634 1007220004 /nfs/dbraw/zinc/22/00/04/1007220004.db2.gz XJGMTUGVFOYGPI-UHFFFAOYSA-N 0 2 417.400 3.821 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cccc(NC(=O)c2cccs2)c1 ZINC000535176627 1007221865 /nfs/dbraw/zinc/22/18/65/1007221865.db2.gz WQNHJWBLRAHZNJ-UHFFFAOYSA-N 0 2 407.480 3.588 20 0 HHADLN O=S(=O)(Nc1cccnc1-c1ccccc1)c1cc2c(cc1Cl)OCCO2 ZINC000532843103 1007228151 /nfs/dbraw/zinc/22/81/51/1007228151.db2.gz FIUBVRSCBBBNOS-UHFFFAOYSA-N 0 2 402.859 3.974 20 0 HHADLN COCCOc1cccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)c1 ZINC000535235487 1007289495 /nfs/dbraw/zinc/28/94/95/1007289495.db2.gz XPFLHLRACZOKEY-UHFFFAOYSA-N 0 2 422.247 3.553 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccccc2NC(=O)NC(C)C)c2ccccc2n1C ZINC000517045096 1007378883 /nfs/dbraw/zinc/37/88/83/1007378883.db2.gz RXOYCGYKZCJWRF-UHFFFAOYSA-N 0 2 400.504 3.817 20 0 HHADLN COC(=O)COc1ccc(NS(=O)(=O)c2cc(C)c(C)s2)c2ccccc12 ZINC000539112065 1007398458 /nfs/dbraw/zinc/39/84/58/1007398458.db2.gz FZWVXJVASJKXSP-UHFFFAOYSA-N 0 2 405.497 3.871 20 0 HHADLN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000535344984 1007399216 /nfs/dbraw/zinc/39/92/16/1007399216.db2.gz NFVIGJYTFXAGAX-UHFFFAOYSA-N 0 2 415.389 3.804 20 0 HHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)s1 ZINC000533039730 1007399669 /nfs/dbraw/zinc/39/96/69/1007399669.db2.gz INPQETYBNCQNCL-UHFFFAOYSA-N 0 2 403.529 3.503 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1)c1ccc(F)cc1 ZINC000535384951 1007449484 /nfs/dbraw/zinc/44/94/84/1007449484.db2.gz GRYACBAOMSFFDV-UHFFFAOYSA-N 0 2 415.368 3.770 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1cnn(-c2ccccc2F)c1 ZINC000535386564 1007451277 /nfs/dbraw/zinc/45/12/77/1007451277.db2.gz XENZWZAOTIMYCG-UHFFFAOYSA-N 0 2 423.429 3.949 20 0 HHADLN CCCCOc1ccc(OC)cc1NS(=O)(=O)c1ccc(F)cc1C(=O)OC ZINC000535400860 1007468137 /nfs/dbraw/zinc/46/81/37/1007468137.db2.gz CCAHYFMCNLVJIB-UHFFFAOYSA-N 0 2 411.451 3.601 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(F)c1 ZINC000517158606 1007469381 /nfs/dbraw/zinc/46/93/81/1007469381.db2.gz KRGMYJLZACIWFW-UHFFFAOYSA-N 0 2 418.412 3.790 20 0 HHADLN CCOC(=O)c1c(NS(=O)(=O)c2ccc(C(F)F)cc2)cc(OC)cc1OC ZINC000517197582 1007498882 /nfs/dbraw/zinc/49/88/82/1007498882.db2.gz RAIXSADZLQYJCZ-UHFFFAOYSA-N 0 2 415.414 3.619 20 0 HHADLN Cc1cccc(-n2c(SCc3n[nH]c(=O)[nH]3)nnc2-c2c[nH]c3ccccc23)c1 ZINC000539249604 1007541844 /nfs/dbraw/zinc/54/18/44/1007541844.db2.gz DPZYLLCCBIAQCX-UHFFFAOYSA-N 0 2 403.471 3.840 20 0 HHADLN O=S(=O)(Nc1cc(F)c(Cl)cc1N1CCOCC1)c1ccc(Cl)cc1F ZINC000517424824 1007648395 /nfs/dbraw/zinc/64/83/95/1007648395.db2.gz FASSDMRLHWEXEF-UHFFFAOYSA-N 0 2 423.268 3.909 20 0 HHADLN Cc1n[nH]cc1S(=O)(=O)Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1 ZINC000535685901 1007717701 /nfs/dbraw/zinc/71/77/01/1007717701.db2.gz OXFLNOGUQJWQCR-UHFFFAOYSA-N 0 2 404.197 3.767 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000539440106 1007749951 /nfs/dbraw/zinc/74/99/51/1007749951.db2.gz UOTMFTSGKFUTLO-CVEARBPZSA-N 0 2 402.426 3.557 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3nc4cc(Cl)ccc4s3)cnc2c1Cl ZINC000539465200 1007777914 /nfs/dbraw/zinc/77/79/14/1007777914.db2.gz LNNAFGZCQSMKQQ-UHFFFAOYSA-N 0 2 414.299 3.755 20 0 HHADLN COC(=O)c1cc(C)nc2nc(NS(=O)(=O)c3c(C)cc(C)cc3C)sc21 ZINC000517606893 1007810663 /nfs/dbraw/zinc/81/06/63/1007810663.db2.gz CNNGBDOSBSZECD-UHFFFAOYSA-N 0 2 405.501 3.512 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cncc(Cl)c1 ZINC000533637928 1007945770 /nfs/dbraw/zinc/94/57/70/1007945770.db2.gz PXBQKLPXDCJONU-UHFFFAOYSA-N 0 2 420.947 3.551 20 0 HHADLN O=S(=O)(Nc1cccc2c1CN(c1ccccn1)C2)c1ccc(F)c(F)c1F ZINC000535991609 1008031061 /nfs/dbraw/zinc/03/10/61/1008031061.db2.gz QLCODCPRWLWWIR-UHFFFAOYSA-N 0 2 405.401 3.820 20 0 HHADLN Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000533724914 1008051301 /nfs/dbraw/zinc/05/13/01/1008051301.db2.gz HPTIWOJSNKFZLK-UHFFFAOYSA-N 0 2 424.917 3.789 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ccc(-c2ccc3c(c2)OCCO3)s1 ZINC000533728348 1008055188 /nfs/dbraw/zinc/05/51/88/1008055188.db2.gz CKQHSQUHEHCHFC-UHFFFAOYSA-N 0 2 422.491 3.774 20 0 HHADLN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)C(=O)c1ccc2c(c1)CCC2 ZINC000517955567 1008071472 /nfs/dbraw/zinc/07/14/72/1008071472.db2.gz AGSLFSXWCRRPEI-UHFFFAOYSA-N 0 2 411.259 3.544 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cc(F)c(C)cc2F)nc1C(C)C ZINC000533784822 1008107953 /nfs/dbraw/zinc/10/79/53/1008107953.db2.gz SZRUKNWKAJHZTQ-UHFFFAOYSA-N 0 2 404.460 3.831 20 0 HHADLN O=C(NCCCc1cccs1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000539867149 1008149986 /nfs/dbraw/zinc/14/99/86/1008149986.db2.gz KZIHWYPSLXYRAJ-UHFFFAOYSA-N 0 2 422.557 3.760 20 0 HHADLN COC(=O)c1cc(C)nc2nc(NS(=O)(=O)c3cc(Cl)ccc3C)sc21 ZINC000518324310 1008260762 /nfs/dbraw/zinc/26/07/62/1008260762.db2.gz XZPREWGJOHXOBT-UHFFFAOYSA-N 0 2 411.892 3.549 20 0 HHADLN Cc1[nH]nc2ncc(NS(=O)(=O)c3c(Cl)cc(F)cc3Br)cc12 ZINC000540331011 1008383391 /nfs/dbraw/zinc/38/33/91/1008383391.db2.gz JTNBGCNIXWVZQO-UHFFFAOYSA-N 0 2 419.663 3.622 20 0 HHADLN CCn1c(=O)c2c(nc1SCc1n[nH]c(=O)[nH]1)sc(C)c2-c1ccc(F)cc1 ZINC000540345940 1008390672 /nfs/dbraw/zinc/39/06/72/1008390672.db2.gz UEQCJELVHLKDGY-UHFFFAOYSA-N 0 2 417.491 3.708 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cn(-c2ccccc2C(F)(F)F)nn1 ZINC000518787149 1008420394 /nfs/dbraw/zinc/42/03/94/1008420394.db2.gz OLVOSOUZTNOZSX-UHFFFAOYSA-N 0 2 422.417 3.540 20 0 HHADLN C[C@H](Cc1cccc(F)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000519035056 1008507165 /nfs/dbraw/zinc/50/71/65/1008507165.db2.gz ODAXHAJSHQLFJS-CYBMUJFWSA-N 0 2 419.503 3.900 20 0 HHADLN O=S(=O)(Nc1noc(C2CC2)n1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000545437642 1008550513 /nfs/dbraw/zinc/55/05/13/1008550513.db2.gz UQVJGZBTKXRULD-UHFFFAOYSA-N 0 2 412.187 3.529 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2nc3ccsc3s2)c1 ZINC000545473450 1008580329 /nfs/dbraw/zinc/58/03/29/1008580329.db2.gz KAXGNUQASZJHLQ-UHFFFAOYSA-N 0 2 405.320 3.930 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c(F)c1 ZINC000519218844 1008623138 /nfs/dbraw/zinc/62/31/38/1008623138.db2.gz VGVZMYULILKULK-UHFFFAOYSA-N 0 2 414.458 3.952 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(Cc3cccc(F)c3)no2)cc1 ZINC000545551717 1008649539 /nfs/dbraw/zinc/64/95/39/1008649539.db2.gz VWSTUDMQWSMBJD-UHFFFAOYSA-N 0 2 416.459 3.724 20 0 HHADLN O=S(=O)(Nc1ccc(-c2cccc(F)c2)c(F)c1)c1cnn(C2CCOCC2)c1 ZINC000543147941 1008721087 /nfs/dbraw/zinc/72/10/87/1008721087.db2.gz BLSBXABFFYAQME-UHFFFAOYSA-N 0 2 419.453 3.981 20 0 HHADLN COCCCOc1ccccc1NS(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000543159828 1008731254 /nfs/dbraw/zinc/73/12/54/1008731254.db2.gz GXTHUTWROJSCCS-UHFFFAOYSA-N 0 2 420.462 3.838 20 0 HHADLN Cc1cc(-c2nc(C3CC3)no2)ccc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000543164364 1008739766 /nfs/dbraw/zinc/73/97/66/1008739766.db2.gz XIKPVHQJHLMCOL-UHFFFAOYSA-N 0 2 421.482 3.909 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000543166215 1008742612 /nfs/dbraw/zinc/74/26/12/1008742612.db2.gz QJQQJYYMBTXZNA-UHFFFAOYSA-N 0 2 405.442 3.898 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC000545829445 1008914151 /nfs/dbraw/zinc/91/41/51/1008914151.db2.gz HIUIUULBSGRUGH-UHFFFAOYSA-N 0 2 406.891 3.957 20 0 HHADLN CCCOc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)o2)cc1 ZINC000519582835 1008921351 /nfs/dbraw/zinc/92/13/51/1008921351.db2.gz QNLLTQYCECHCEA-UHFFFAOYSA-N 0 2 407.879 3.903 20 0 HHADLN O=S(=O)(Nc1nnc([C@H]2Cc3ccccc3O2)o1)c1ccc(Cl)c(Cl)c1 ZINC000519863156 1009039793 /nfs/dbraw/zinc/03/97/93/1009039793.db2.gz PYLRYJFTZPMHRL-CQSZACIVSA-N 0 2 412.254 3.853 20 0 HHADLN O=S(=O)(Nc1ccnn1-c1cccc(F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000546021072 1009053363 /nfs/dbraw/zinc/05/33/63/1009053363.db2.gz NDTGCNRGNLVZQS-UHFFFAOYSA-N 0 2 401.341 3.711 20 0 HHADLN CCC(CC)(C(=O)N=c1nc(-c2cccnc2)[nH]s1)c1ccc(OC)c(OC)c1 ZINC000546048804 1009072588 /nfs/dbraw/zinc/07/25/88/1009072588.db2.gz LWDVCJVXWVYFER-UHFFFAOYSA-N 0 2 412.515 3.736 20 0 HHADLN O=S(=O)([N-]c1cc(-c2ccc(Cl)s2)[nH]n1)c1ccccc1Cn1cc[nH+]c1 ZINC000546086989 1009111512 /nfs/dbraw/zinc/11/15/12/1009111512.db2.gz RYPDTBADYJYDKC-UHFFFAOYSA-N 0 2 419.919 3.837 20 0 HHADLN C[C@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)c1cccc(NC(=O)c2ccccc2)c1 ZINC000546092973 1009117863 /nfs/dbraw/zinc/11/78/63/1009117863.db2.gz VQXOVXJWIAHKBS-STQMWFEESA-N 0 2 400.422 3.870 20 0 HHADLN COc1ccc(COCc2cccc(NS(=O)(=O)c3c(C)n[nH]c3C)c2)cc1 ZINC000520018007 1009173408 /nfs/dbraw/zinc/17/34/08/1009173408.db2.gz TTZKBCCIPNTZKL-UHFFFAOYSA-N 0 2 401.488 3.553 20 0 HHADLN O=C(CCNC(=O)N1CCc2ccccc2C1)Nc1cc(Cl)cc(Cl)c1O ZINC000546152998 1009183611 /nfs/dbraw/zinc/18/36/11/1009183611.db2.gz NSOJTUVBYJFRKR-UHFFFAOYSA-N 0 2 408.285 3.796 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1nnc(CC2CC2)n1Cc1cccs1 ZINC000549581617 1009207633 /nfs/dbraw/zinc/20/76/33/1009207633.db2.gz QEZYKCQTGDVVDA-UHFFFAOYSA-N 0 2 412.544 3.687 20 0 HHADLN CC[C@@H]1C[C@H](C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)CC(=O)N1 ZINC000543646538 1009251879 /nfs/dbraw/zinc/25/18/79/1009251879.db2.gz OZGBIPYWCLAIPU-JKSUJKDBSA-N 0 2 422.510 3.663 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCN(c2ccccc2F)CC1 ZINC000543654393 1009260153 /nfs/dbraw/zinc/26/01/53/1009260153.db2.gz NMGXYAVBFNGGCB-UHFFFAOYSA-N 0 2 417.897 3.774 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCC(n2cc(Cl)cn2)CC1 ZINC000543655458 1009260631 /nfs/dbraw/zinc/26/06/31/1009260631.db2.gz HOTJYFBATUYFAD-UHFFFAOYSA-N 0 2 423.329 3.999 20 0 HHADLN C[C@@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1nc(C(C)(C)C)no1 ZINC000543655684 1009262149 /nfs/dbraw/zinc/26/21/49/1009262149.db2.gz DHFXNAUVASXUCV-SECBINFHSA-N 0 2 406.899 3.844 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N[C@H]1CCO[C@@H]1c1ccccc1 ZINC000543658112 1009265476 /nfs/dbraw/zinc/26/54/76/1009265476.db2.gz SWYNAWWUZGXPCX-JKSUJKDBSA-N 0 2 400.891 3.932 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000549732846 1009355679 /nfs/dbraw/zinc/35/56/79/1009355679.db2.gz UKJVCBUCHMJSAJ-NSHDSACASA-N 0 2 401.264 3.990 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)[C@H](C)Oc1ccc(Br)cc1 ZINC000549732781 1009355800 /nfs/dbraw/zinc/35/58/00/1009355800.db2.gz QJCRKOVCUQRSBE-NSHDSACASA-N 0 2 417.263 3.654 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000549733024 1009356023 /nfs/dbraw/zinc/35/60/23/1009356023.db2.gz XGDLKSLWNPJXHD-UHFFFAOYSA-N 0 2 409.833 3.975 20 0 HHADLN COC(=O)c1cc(C)nc2nc(NS(=O)(=O)c3cccc(Cl)c3C)sc21 ZINC000520274088 1009390697 /nfs/dbraw/zinc/39/06/97/1009390697.db2.gz SZJVDPHNWUSPIW-UHFFFAOYSA-N 0 2 411.892 3.549 20 0 HHADLN Cc1ccc(Cn2nccc2NS(=O)(=O)c2cccc(OC(F)(F)F)c2)o1 ZINC000520279642 1009397415 /nfs/dbraw/zinc/39/74/15/1009397415.db2.gz LBXDIERDEBZNEU-UHFFFAOYSA-N 0 2 401.366 3.532 20 0 HHADLN Cn1ccnc1SCc1cccc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)c1 ZINC000520291752 1009413981 /nfs/dbraw/zinc/41/39/81/1009413981.db2.gz JBOFDAVTBUIFDB-UHFFFAOYSA-N 0 2 413.553 3.967 20 0 HHADLN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000549823965 1009435101 /nfs/dbraw/zinc/43/51/01/1009435101.db2.gz HTDZASFXKAGGTL-UWVGGRQHSA-N 0 2 401.319 3.704 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc(O)cc2F)cc1 ZINC000543954197 1009557203 /nfs/dbraw/zinc/55/72/03/1009557203.db2.gz CXKANYJIPNAGLW-UHFFFAOYSA-N 0 2 406.460 3.954 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1cc(F)c(Br)c(F)c1 ZINC000546539298 1009560924 /nfs/dbraw/zinc/56/09/24/1009560924.db2.gz PHKTVUWAVAPHPH-UHFFFAOYSA-N 0 2 422.247 3.553 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3cccc(F)c3)c(F)c2)cn1 ZINC000544074867 1009678853 /nfs/dbraw/zinc/67/88/53/1009678853.db2.gz AGQHIMKXYKKEKH-UHFFFAOYSA-N 0 2 404.394 3.614 20 0 HHADLN Cc1ccsc1Cn1nccc1NS(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000544076660 1009681148 /nfs/dbraw/zinc/68/11/48/1009681148.db2.gz ZJXRWNRSSVALLV-UHFFFAOYSA-N 0 2 407.565 3.571 20 0 HHADLN O=C(NC1CCCCC1)c1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000520619786 1009696779 /nfs/dbraw/zinc/69/67/79/1009696779.db2.gz YBQICKUNQFHGNP-UHFFFAOYSA-N 0 2 424.526 3.736 20 0 HHADLN CCCc1c(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cnn1-c1cccc(F)c1 ZINC000544089108 1009698810 /nfs/dbraw/zinc/69/88/10/1009698810.db2.gz WTRDEWNTCGBJLB-UHFFFAOYSA-N 0 2 408.462 3.552 20 0 HHADLN O=S(=O)(Nc1ccc(OCc2ccncc2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000520627799 1009704111 /nfs/dbraw/zinc/70/41/11/1009704111.db2.gz XKLAZUXIVBBAHX-UHFFFAOYSA-N 0 2 420.494 3.706 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000544094805 1009704624 /nfs/dbraw/zinc/70/46/24/1009704624.db2.gz BVCNPTGROFQBLB-UHFFFAOYSA-N 0 2 418.563 3.583 20 0 HHADLN COc1ccccc1Nc1ncccc1C(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000550119711 1009711578 /nfs/dbraw/zinc/71/15/78/1009711578.db2.gz GSNRNZIICRWIIH-UHFFFAOYSA-N 0 2 416.441 3.885 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)CS[C@H](C)c1nc2ccccc2[nH]1 ZINC000550124236 1009714907 /nfs/dbraw/zinc/71/49/07/1009714907.db2.gz YHOUZHQFWMTOCC-GFCCVEGCSA-N 0 2 408.487 3.795 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccccc2F)cc1OCC ZINC000520699856 1009767668 /nfs/dbraw/zinc/76/76/68/1009767668.db2.gz ZPDBVUVGDNNTJM-UHFFFAOYSA-N 0 2 419.478 3.669 20 0 HHADLN CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1O)C2=O ZINC000546857330 1009817730 /nfs/dbraw/zinc/81/77/30/1009817730.db2.gz KRZDJQGPNSKTIF-SFHVURJKSA-N 0 2 414.289 3.528 20 0 HHADLN Cc1c(C(=O)Nc2cc(Cl)cc(Cl)c2O)cnn1CCO[C@@H]1CCCCO1 ZINC000546858162 1009820140 /nfs/dbraw/zinc/82/01/40/1009820140.db2.gz YIKWQAREOBUYOH-MRXNPFEDSA-N 0 2 414.289 3.999 20 0 HHADLN COc1ccc([C@H]2[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3O)CC(=O)N2C)cc1 ZINC000546860478 1009823759 /nfs/dbraw/zinc/82/37/59/1009823759.db2.gz VSEKQWYCWYKHOY-DYVFJYSZSA-N 0 2 409.269 3.866 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cn2)c1 ZINC000546879882 1009841313 /nfs/dbraw/zinc/84/13/13/1009841313.db2.gz OKEZAHFLSDNKOO-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2cc(CC(C)(C)C)n[nH]2)c1 ZINC000546886002 1009845205 /nfs/dbraw/zinc/84/52/05/1009845205.db2.gz AXEIGTQQIVSARZ-UHFFFAOYSA-N 0 2 402.314 3.570 20 0 HHADLN O=C(CCc1nc(-c2cccs2)no1)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000520970025 1010013572 /nfs/dbraw/zinc/01/35/72/1010013572.db2.gz BBULQWFKPWTSRE-UHFFFAOYSA-N 0 2 417.903 3.963 20 0 HHADLN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(Oc2ccc(C)cc2)nc1 ZINC000550599023 1010056624 /nfs/dbraw/zinc/05/66/24/1010056624.db2.gz PRJVMQASFPUGBY-UHFFFAOYSA-N 0 2 416.430 3.909 20 0 HHADLN CC[C@H](c1ccccc1)N(CC)C(=O)C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000544488393 1010112053 /nfs/dbraw/zinc/11/20/53/1010112053.db2.gz YYMLXERAYKTZGC-GOSISDBHSA-N 0 2 424.526 3.574 20 0 HHADLN CC(C)S(=O)(=O)c1c(Cl)cccc1NS(=O)(=O)Cc1cccc(F)c1 ZINC000550790047 1010179820 /nfs/dbraw/zinc/17/98/20/1010179820.db2.gz AMBMHPQTBUKWJA-UHFFFAOYSA-N 0 2 405.900 3.603 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000547270888 1010216910 /nfs/dbraw/zinc/21/69/10/1010216910.db2.gz RBGNZRGNEYRAIN-UHFFFAOYSA-N 0 2 404.513 3.560 20 0 HHADLN COCCN(C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1)[C@@H](C)c1ccccc1 ZINC000544593871 1010219853 /nfs/dbraw/zinc/21/98/53/1010219853.db2.gz LTYUBZXLACOYPQ-HNNXBMFYSA-N 0 2 412.515 3.877 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NC[C@H]3CCCO[C@@H]3C(C)(C)C)s[nH]2)c1 ZINC000544594585 1010220886 /nfs/dbraw/zinc/22/08/86/1010220886.db2.gz QCYYDORQMDPATD-ZBFHGGJFSA-N 0 2 404.536 3.598 20 0 HHADLN CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000544635215 1010258515 /nfs/dbraw/zinc/25/85/15/1010258515.db2.gz GKFVRMXBGFXTKB-ZDUSSCGKSA-N 0 2 408.911 3.618 20 0 HHADLN CC[C@H]1CN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)[C@@H](CC)CN1C(C)=O ZINC000544635435 1010259271 /nfs/dbraw/zinc/25/92/71/1010259271.db2.gz KWOOUCKIHMLQPB-KBPBESRZSA-N 0 2 421.954 3.534 20 0 HHADLN COCCOc1ccccc1CNC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000544637888 1010262410 /nfs/dbraw/zinc/26/24/10/1010262410.db2.gz RGRFEYBNYCGLGT-UHFFFAOYSA-N 0 2 418.906 3.627 20 0 HHADLN COC(=O)c1cc(CN(C)C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)oc1C ZINC000544638534 1010263199 /nfs/dbraw/zinc/26/31/99/1010263199.db2.gz BPNJJWLEJPQYRO-UHFFFAOYSA-N 0 2 420.878 3.632 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCN(Cc2ccsc2)CC1 ZINC000544638923 1010263834 /nfs/dbraw/zinc/26/38/34/1010263834.db2.gz UDGRACNZNOBAKK-UHFFFAOYSA-N 0 2 419.963 3.692 20 0 HHADLN O=S(=O)(N[C@@H](C1CCCC1)C(F)(F)F)c1cc(F)ccc1Br ZINC000544664964 1010284045 /nfs/dbraw/zinc/28/40/45/1010284045.db2.gz WYDFBZLVHRUASU-LBPRGKRZSA-N 0 2 404.223 3.988 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc3ccsc3s2)c1OC ZINC000551019477 1010321440 /nfs/dbraw/zinc/32/14/40/1010321440.db2.gz IQRUTPJWOJZESC-UHFFFAOYSA-N 0 2 418.905 3.607 20 0 HHADLN C[C@H](CNS(=O)(=O)[C@H](C)C(F)(F)F)Sc1ccc(Br)cc1 ZINC000544720993 1010329107 /nfs/dbraw/zinc/32/91/07/1010329107.db2.gz GWTYUQOUEIPZMX-RKDXNWHRSA-N 0 2 406.289 3.800 20 0 HHADLN O=S(=O)(Nc1noc(C2CC2)n1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000544735732 1010341665 /nfs/dbraw/zinc/34/16/65/1010341665.db2.gz AYARPQNHYNRHOT-UHFFFAOYSA-N 0 2 412.187 3.529 20 0 HHADLN Cc1noc(-c2ccc(C)c(NS(=O)(=O)c3cnc(-c4ccccc4)nc3)c2)n1 ZINC000547703572 1010396295 /nfs/dbraw/zinc/39/62/95/1010396295.db2.gz VXMHXKRWKKASGW-UHFFFAOYSA-N 0 2 407.455 3.611 20 0 HHADLN CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000521483114 1010402182 /nfs/dbraw/zinc/40/21/82/1010402182.db2.gz KZWJLVLRXZZUHO-UHFFFAOYSA-N 0 2 424.404 3.719 20 0 HHADLN CCn1cc(CC(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)cn1 ZINC000547746351 1010411373 /nfs/dbraw/zinc/41/13/73/1010411373.db2.gz QNTRZUNAYQEOIC-UHFFFAOYSA-N 0 2 405.483 3.817 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 ZINC000548146413 1010544216 /nfs/dbraw/zinc/54/42/16/1010544216.db2.gz YNVYLXVZUGOCKS-UHFFFAOYSA-N 0 2 409.467 3.819 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)o2)c2ccccc2n1C ZINC000551388131 1010555078 /nfs/dbraw/zinc/55/50/78/1010555078.db2.gz XHBQPVSZPSDQLF-UHFFFAOYSA-N 0 2 410.499 3.996 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc3oc(C(C)C)nc3c2)c(OC)c1 ZINC000548283088 1010579653 /nfs/dbraw/zinc/57/96/53/1010579653.db2.gz BUIIIOGLIRSQML-UHFFFAOYSA-N 0 2 406.460 3.778 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCO[C@H](c3ccc(F)cc3F)C2)=N1 ZINC000548315414 1010590841 /nfs/dbraw/zinc/59/08/41/1010590841.db2.gz YTDAULPEALITBL-IBGZPJMESA-N 0 2 417.387 3.517 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2cc(F)c(C)cc2F)ccc1Br ZINC000548358918 1010599125 /nfs/dbraw/zinc/59/91/25/1010599125.db2.gz OATSPQORGAYBQG-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cc(CC(C)(C)C)nn2C)ccc1Br ZINC000521765806 1010601183 /nfs/dbraw/zinc/60/11/83/1010601183.db2.gz OVMUZFDLBFZDCU-UHFFFAOYSA-N 0 2 400.342 3.880 20 0 HHADLN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)Nc1cc2[nH]ccc2cc1C ZINC000551468011 1010604528 /nfs/dbraw/zinc/60/45/28/1010604528.db2.gz SFNHEDLTBXUDMF-UHFFFAOYSA-N 0 2 421.906 3.641 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)c1C ZINC000521801240 1010628851 /nfs/dbraw/zinc/62/88/51/1010628851.db2.gz SRPPDFDUFVAHMP-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2)c1 ZINC000545215770 1010688394 /nfs/dbraw/zinc/68/83/94/1010688394.db2.gz IUCIWGIHHUQFBF-UHFFFAOYSA-N 0 2 402.497 3.597 20 0 HHADLN Cc1ccc(-c2nc(S(=O)(=O)[C@H](C)C(=O)Nc3ccc(C)cc3Cl)n[nH]2)cc1 ZINC000521947365 1010729993 /nfs/dbraw/zinc/72/99/93/1010729993.db2.gz IIVXNVMHGGENQR-CYBMUJFWSA-N 0 2 418.906 3.543 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(C(F)F)sc3c2)c(F)c1 ZINC000521988662 1010751842 /nfs/dbraw/zinc/75/18/42/1010751842.db2.gz RTGIQYONJBQTNG-UHFFFAOYSA-N 0 2 416.402 3.960 20 0 HHADLN O=S(=O)([N-]c1nc2cc(C(F)(F)F)ccc2[nH]1)c1ccccc1Cn1cc[nH+]c1 ZINC000545382389 1010765258 /nfs/dbraw/zinc/76/52/58/1010765258.db2.gz VXSNRZKLPRRTBV-UHFFFAOYSA-N 0 2 421.404 3.627 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC000522360169 1010956456 /nfs/dbraw/zinc/95/64/56/1010956456.db2.gz YMSDSTZDXLGBAC-UHFFFAOYSA-N 0 2 417.874 3.693 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1N1CCOCC1)c1cccc2cccnc21 ZINC000522475500 1011035748 /nfs/dbraw/zinc/03/57/48/1011035748.db2.gz HKSLNXFOTVSXDL-UHFFFAOYSA-N 0 2 403.891 3.526 20 0 HHADLN CCOC(=O)c1ccc(-n2ccnc2)c(NS(=O)(=O)c2cccc(C)c2Cl)c1 ZINC000540564966 1011223399 /nfs/dbraw/zinc/22/33/99/1011223399.db2.gz SAPUXXNPIXQZCK-UHFFFAOYSA-N 0 2 419.890 3.812 20 0 HHADLN CCCc1cnc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)s1 ZINC000540679382 1011332226 /nfs/dbraw/zinc/33/22/26/1011332226.db2.gz XMWZILCRSBXNPI-UHFFFAOYSA-N 0 2 408.530 3.605 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c1 ZINC000536249387 1011405337 /nfs/dbraw/zinc/40/53/37/1011405337.db2.gz QIYYMABTHROEIV-INIZCTEOSA-N 0 2 418.906 3.660 20 0 HHADLN CC(=O)N(Cc1ccc(NC(=O)c2cccc(Br)c2O)cc1)C1CC1 ZINC000522975826 1011425317 /nfs/dbraw/zinc/42/53/17/1011425317.db2.gz RDOAWBUENXJLHD-UHFFFAOYSA-N 0 2 403.276 3.918 20 0 HHADLN C[C@H](CNC(=O)N=c1nc(-c2ccccc2)[nH]s1)c1nc(-c2ccccc2)no1 ZINC000536330148 1011529782 /nfs/dbraw/zinc/52/97/82/1011529782.db2.gz RIFYQERNWUCCFW-CYBMUJFWSA-N 0 2 406.471 3.602 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)c3cccs3)cc2)nc(C)n1 ZINC000523105150 1011574399 /nfs/dbraw/zinc/57/43/99/1011574399.db2.gz DLJQCRTZRZOKGI-ZDUSSCGKSA-N 0 2 416.528 3.698 20 0 HHADLN CCc1nc2cc(S(=O)(=O)Nc3nnc(-c4ccc(OC)cc4)s3)ccc2o1 ZINC000541069641 1011708323 /nfs/dbraw/zinc/70/83/23/1011708323.db2.gz LOYWBUVXYZQQDV-UHFFFAOYSA-N 0 2 416.484 3.718 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541089817 1011733550 /nfs/dbraw/zinc/73/35/50/1011733550.db2.gz OKLCOZJBASMYBC-CYBMUJFWSA-N 0 2 422.436 3.711 20 0 HHADLN COC(=O)[C@H](Cc1c[nH]c2cccc(Br)c12)Nc1nc(C(C)C)ns1 ZINC000536621621 1011778886 /nfs/dbraw/zinc/77/88/86/1011778886.db2.gz WFGYMPSBQFCTEB-ZDUSSCGKSA-N 0 2 423.336 3.523 20 0 HHADLN O=c1nc(-c2ccc(N3CCOCC3)c(F)c2)[nH]c2c(-c3ccccc3)nsc21 ZINC000541161738 1011823663 /nfs/dbraw/zinc/82/36/63/1011823663.db2.gz ZWYGBVWSORCOQT-UHFFFAOYSA-N 0 2 408.458 3.689 20 0 HHADLN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)c1cccc(Br)c1O ZINC000536685783 1011849960 /nfs/dbraw/zinc/84/99/60/1011849960.db2.gz KQJZZUBLVRCVSQ-UHFFFAOYSA-N 0 2 419.275 3.652 20 0 HHADLN O=S(=O)(Nc1ccc(-c2cccc(F)c2)c(F)c1)c1cnn([C@H]2CCOC2)c1 ZINC000541284881 1011980230 /nfs/dbraw/zinc/98/02/30/1011980230.db2.gz FYPOYLNCNDGLTG-INIZCTEOSA-N 0 2 405.426 3.591 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(OCc2ccccc2)nc1 ZINC000541288622 1011984795 /nfs/dbraw/zinc/98/47/95/1011984795.db2.gz ODFPQKFPHMBAJA-UHFFFAOYSA-N 0 2 414.531 3.931 20 0 HHADLN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1ncn(C2CCCCC2)n1 ZINC000541290123 1011988693 /nfs/dbraw/zinc/98/86/93/1011988693.db2.gz WWAAGUKMPRZSJR-UHFFFAOYSA-N 0 2 413.341 3.963 20 0 HHADLN Cc1ccccc1CCc1cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)[nH]n1 ZINC000541289913 1011988811 /nfs/dbraw/zinc/98/88/11/1011988811.db2.gz IETXDPVWWGMHEI-UHFFFAOYSA-N 0 2 424.526 3.534 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000541306718 1012011515 /nfs/dbraw/zinc/01/15/15/1012011515.db2.gz CZWITDOQLROXDL-UHFFFAOYSA-N 0 2 418.563 3.629 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)[C@H](OC)c1ccccc1 ZINC000551917505 1012022563 /nfs/dbraw/zinc/02/25/63/1012022563.db2.gz QSIFUTCYMGAQMH-IFMALSPDSA-N 0 2 407.514 3.613 20 0 HHADLN COC(=O)c1cc(Br)ccc1NS(=O)(=O)c1cccc2cccnc21 ZINC000523792150 1012450114 /nfs/dbraw/zinc/45/01/14/1012450114.db2.gz GVSCGMVZWPRXEW-UHFFFAOYSA-N 0 2 421.272 3.585 20 0 HHADLN CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc(OC3CCCCC3)cc2)s1 ZINC000523833857 1012522938 /nfs/dbraw/zinc/52/29/38/1012522938.db2.gz HXFBZZCHMLZBHL-UHFFFAOYSA-N 0 2 422.572 3.939 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCCc3nc(C(C)(C)C)cs3)s[nH]2)c1 ZINC000541755995 1012616890 /nfs/dbraw/zinc/61/68/90/1012616890.db2.gz FWKAVEOQEHHFOQ-UHFFFAOYSA-N 0 2 417.560 3.754 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NC[C@H]3SCCc4ccccc43)s[nH]2)c1 ZINC000541758017 1012617752 /nfs/dbraw/zinc/61/77/52/1012617752.db2.gz VWKASNORFOKJSW-QGZVFWFLSA-N 0 2 412.540 3.788 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCO[C@H](c4ccccc4C)C3)s[nH]2)c1 ZINC000541762279 1012624809 /nfs/dbraw/zinc/62/48/09/1012624809.db2.gz WHEDPHLFDTYTTH-SFHVURJKSA-N 0 2 410.499 3.549 20 0 HHADLN CCCc1cnc(NS(=O)(=O)c2cc(Br)cc3c2OCC3)s1 ZINC000541783060 1012653146 /nfs/dbraw/zinc/65/31/46/1012653146.db2.gz NBNOYWCGXZKVLW-UHFFFAOYSA-N 0 2 403.323 3.594 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCc1cc(F)cc2c1OCOC2 ZINC000541795982 1012671239 /nfs/dbraw/zinc/67/12/39/1012671239.db2.gz AXJNNRZICXGZRU-UHFFFAOYSA-N 0 2 420.853 3.608 20 0 HHADLN C[S@](=O)C[C@@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccccc1 ZINC000541796764 1012672429 /nfs/dbraw/zinc/67/24/29/1012672429.db2.gz OAEMUYMBKWRFEG-RXAIFQJESA-N 0 2 420.947 3.522 20 0 HHADLN COc1c(C)cnc(CN(C)C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c1C ZINC000541797523 1012673965 /nfs/dbraw/zinc/67/39/65/1012673965.db2.gz LOMTYZVWQIGCMF-UHFFFAOYSA-N 0 2 417.922 3.965 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N(CCO)[C@H]1CCc2ccccc21 ZINC000541797004 1012674062 /nfs/dbraw/zinc/67/40/62/1012674062.db2.gz QXISSKXTGQVZSC-KRWDZBQOSA-N 0 2 414.918 3.794 20 0 HHADLN CN(CCOc1ccccc1F)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000541798596 1012675465 /nfs/dbraw/zinc/67/54/65/1012675465.db2.gz GBMRRKIACYLDPH-UHFFFAOYSA-N 0 2 406.870 3.962 20 0 HHADLN CCOc1ccc2nc(NS(=O)(=O)c3cnc4c(Cl)c(C)nn4c3)sc2c1 ZINC000537272938 1012726734 /nfs/dbraw/zinc/72/67/34/1012726734.db2.gz VGZKAOQJTGYWQE-UHFFFAOYSA-N 0 2 423.907 3.500 20 0 HHADLN COC(=O)c1sccc1NS(=O)(=O)c1cc(C)c(Br)cc1C ZINC000523979330 1012727088 /nfs/dbraw/zinc/72/70/88/1012727088.db2.gz DHCVAFZGQVRSRO-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN CC(C)(C)c1cc(NS(=O)(=O)c2cccc3cccnc32)n(-c2ccccn2)n1 ZINC000524051870 1012804946 /nfs/dbraw/zinc/80/49/46/1012804946.db2.gz GHCDFYJJSYMLJQ-UHFFFAOYSA-N 0 2 407.499 3.914 20 0 HHADLN CCc1nc2cc(S(=O)(=O)Nc3nnc(Cc4ccc(C)cc4)s3)ccc2o1 ZINC000542003533 1012883875 /nfs/dbraw/zinc/88/38/75/1012883875.db2.gz UQPOAOZMHVXGFC-UHFFFAOYSA-N 0 2 414.512 3.942 20 0 HHADLN O=S(=O)(Nc1ncn(-c2ccccc2)n1)c1cc(C(F)(F)F)ccc1Cl ZINC000542003416 1012884286 /nfs/dbraw/zinc/88/42/86/1012884286.db2.gz PHLNDCCTYZRVRT-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN O=S(=O)(Nc1cccc(Cl)c1-n1cccn1)c1ccc(C(F)(F)F)nc1 ZINC000542007710 1012889838 /nfs/dbraw/zinc/88/98/38/1012889838.db2.gz QEVDETAHWOSTED-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000542054177 1012966622 /nfs/dbraw/zinc/96/66/22/1012966622.db2.gz BEUGQNGSXRNYSD-UHFFFAOYSA-N 0 2 417.430 3.885 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)nc2)c(F)c1 ZINC000614847889 1071768141 /nfs/dbraw/zinc/76/81/41/1071768141.db2.gz PCRRGPTUYMWUAB-UHFFFAOYSA-N 0 2 415.446 3.559 20 0 HHADLN O=c1ccc2cc(S(=O)(=O)Nc3cccnc3OCc3ccccc3)ccc2o1 ZINC000729664565 1071778871 /nfs/dbraw/zinc/77/88/71/1071778871.db2.gz OHDWMMSQRILYIH-UHFFFAOYSA-N 0 2 408.435 3.568 20 0 HHADLN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)nc(C2CC2)n3C)c1 ZINC000760271056 1071814001 /nfs/dbraw/zinc/81/40/01/1071814001.db2.gz UORFVHXLFNDASM-UHFFFAOYSA-N 0 2 419.890 3.692 20 0 HHADLN O=S(=O)(Nc1cc(O)cc(F)c1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000488234213 1072143667 /nfs/dbraw/zinc/14/36/67/1072143667.db2.gz NGBMQEMNOUZOLC-INIZCTEOSA-N 0 2 415.870 3.933 20 0 HHADLN COCc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000488249395 1072164723 /nfs/dbraw/zinc/16/47/23/1072164723.db2.gz MCYAJWYPLADWFP-CQSZACIVSA-N 0 2 411.907 3.703 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cc(F)c(SC)c(F)c2)c(OC)c1 ZINC000488253955 1072171967 /nfs/dbraw/zinc/17/19/67/1072171967.db2.gz WUUKWDRHGJWYMC-UHFFFAOYSA-N 0 2 405.444 3.513 20 0 HHADLN CN(CC1CCCCC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O ZINC000913026757 1072316675 /nfs/dbraw/zinc/31/66/75/1072316675.db2.gz IAPZSEFPBRQLOT-UHFFFAOYSA-N 0 2 411.527 3.979 20 0 HHADLN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1ccnn1[C@H](C)C1CC1 ZINC000479127141 1072736407 /nfs/dbraw/zinc/73/64/07/1072736407.db2.gz ZTCOZIZYHAIUJW-SNVBAGLBSA-N 0 2 402.289 3.865 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c(F)c1 ZINC000479130973 1072741355 /nfs/dbraw/zinc/74/13/55/1072741355.db2.gz FWKBKUKPKFMZRQ-UHFFFAOYSA-N 0 2 404.385 3.513 20 0 HHADLN O=S(=O)(Nc1cccc(OCC(F)F)n1)c1ccc(OC(F)F)c(Cl)c1 ZINC000479118091 1072754300 /nfs/dbraw/zinc/75/43/00/1072754300.db2.gz JMYKYPMFIWGARD-UHFFFAOYSA-N 0 2 414.764 3.781 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)cc1F)N1CCCC1 ZINC000479120847 1072758422 /nfs/dbraw/zinc/75/84/22/1072758422.db2.gz LRPQPFGLBNVHTQ-UHFFFAOYSA-N 0 2 423.535 3.588 20 0 HHADLN O=S(=O)(Cc1coc(-c2ccc(Cl)cc2)n1)c1n[nH]c(-c2ccccc2)n1 ZINC000572231869 1073230527 /nfs/dbraw/zinc/23/05/27/1073230527.db2.gz WTLAMLXVJNPOJQ-UHFFFAOYSA-N 0 2 400.847 3.754 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cnn1C(CC)CC ZINC000555388529 1073399133 /nfs/dbraw/zinc/39/91/33/1073399133.db2.gz LIEFFNFDCXJIPN-UHFFFAOYSA-N 0 2 404.536 3.837 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OC(F)F)nc1 ZINC000555426856 1073454526 /nfs/dbraw/zinc/45/45/26/1073454526.db2.gz DJFWAORZVYTKDL-UHFFFAOYSA-N 0 2 422.837 3.553 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ncc(-c4ccccc4F)s3)cc12 ZINC000555457372 1073516721 /nfs/dbraw/zinc/51/67/21/1073516721.db2.gz FRSVZYOVKSRAND-UHFFFAOYSA-N 0 2 404.448 3.849 20 0 HHADLN O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000555557760 1073625037 /nfs/dbraw/zinc/62/50/37/1073625037.db2.gz BIIWRYNCOQQYJS-SOUVJXGZSA-N 0 2 409.515 3.576 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)c(F)c1 ZINC000590262883 1073717694 /nfs/dbraw/zinc/71/76/94/1073717694.db2.gz IRIRXYNTNPEQLA-UHFFFAOYSA-N 0 2 418.450 3.758 20 0 HHADLN C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000590405247 1073789926 /nfs/dbraw/zinc/78/99/26/1073789926.db2.gz VSWHIQDBURHNJN-SNVBAGLBSA-N 0 2 405.227 3.779 20 0 HHADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc(OCC(F)F)cc3)o2)s1 ZINC000556036854 1074048864 /nfs/dbraw/zinc/04/88/64/1074048864.db2.gz KITHOVZSHXADFK-UHFFFAOYSA-N 0 2 401.416 3.551 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(Cl)cc2)o1)c1cccc2cccnc21 ZINC000556039042 1074059048 /nfs/dbraw/zinc/05/90/48/1074059048.db2.gz IBMGYPAAXHTGDO-UHFFFAOYSA-N 0 2 400.847 3.663 20 0 HHADLN CN(C)c1ccc(-c2cncc(C(=O)Nc3cccc(-c4n[nH]c(=O)[nH]4)c3)c2)cc1 ZINC000573389002 1074394670 /nfs/dbraw/zinc/39/46/70/1074394670.db2.gz BNNASGKZSNELKL-UHFFFAOYSA-N 0 2 400.442 3.558 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc(Sc3nncn3C)c(Cl)c2)c(F)c1 ZINC000591681704 1074485696 /nfs/dbraw/zinc/48/56/96/1074485696.db2.gz FFFVEYZVVPTCRJ-UHFFFAOYSA-N 0 2 412.899 3.868 20 0 HHADLN O=S(=O)(Nc1cccnc1OCc1ccccc1)c1ccc2c(c1)OCCCO2 ZINC000591682537 1074486765 /nfs/dbraw/zinc/48/67/65/1074486765.db2.gz DTPRGCOLHUMWAQ-UHFFFAOYSA-N 0 2 412.467 3.623 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2OCc2ccccc2)c(F)c1 ZINC000591682489 1074486860 /nfs/dbraw/zinc/48/68/60/1074486860.db2.gz AOBYVCRGECDNLJ-UHFFFAOYSA-N 0 2 415.446 3.559 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3sc(C)nc3CC(C)C)cc2[nH]c1=S ZINC000761145287 1075522299 /nfs/dbraw/zinc/52/22/99/1075522299.db2.gz WHJFUZBOLNNTTO-UHFFFAOYSA-N 0 2 402.545 3.921 20 0 HHADLN O=C([O-])C1(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CCCCC1 ZINC000780569837 939133908 /nfs/dbraw/zinc/13/39/08/939133908.db2.gz DZJVBAKMOFDVGQ-MRXNPFEDSA-N 0 2 411.905 3.530 20 0 HHADLN O=C([O-])C1(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CCCCC1 ZINC000780569837 939133909 /nfs/dbraw/zinc/13/39/09/939133909.db2.gz DZJVBAKMOFDVGQ-MRXNPFEDSA-N 0 2 411.905 3.530 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1cc(C(F)(F)F)nc(-c2cccnc2)n1 ZINC000302224859 971211710 /nfs/dbraw/zinc/21/17/10/971211710.db2.gz VAGPHJAAZDVXEA-UHFFFAOYSA-N 0 2 418.404 3.904 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccc(F)c2ncccc12 ZINC000303318924 971626658 /nfs/dbraw/zinc/62/66/58/971626658.db2.gz SWLQFYJSPPLHRV-CQSZACIVSA-N 0 2 420.437 3.872 20 0 HHADLN O=S(=O)(Nc1c2c(nn1-c1ccccc1)CCC2)c1cccc(Br)c1 ZINC000524298333 1013110713 /nfs/dbraw/zinc/11/07/13/1013110713.db2.gz BHIVSQWUBCEMSS-UHFFFAOYSA-N 0 2 418.316 3.924 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000524319725 1013138626 /nfs/dbraw/zinc/13/86/26/1013138626.db2.gz ZAGUDAHUXMEYJO-UHFFFAOYSA-N 0 2 421.368 3.663 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)NC[C@@H]3CCN(c4ccccc4)C3)=N2)c1 ZINC000303892759 972432647 /nfs/dbraw/zinc/43/26/47/972432647.db2.gz KLJOAXYCDVJPEU-SFHVURJKSA-N 0 2 404.514 3.958 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(Oc2nccc(C)n2)cc1 ZINC000542235544 1013191661 /nfs/dbraw/zinc/19/16/61/1013191661.db2.gz GEPNCGCUXXTPAV-UHFFFAOYSA-N 0 2 415.519 3.847 20 0 HHADLN COc1ccc(/C=C\C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000006006063 960818755 /nfs/dbraw/zinc/81/87/55/960818755.db2.gz BQDPTAXHPKZZRY-WCIBSUBMSA-N 0 2 415.496 3.604 20 0 HHADLN Cc1csc(C(C#N)C(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)n1 ZINC000007372717 961148741 /nfs/dbraw/zinc/14/87/41/961148741.db2.gz NFXPMUIOGYYGBV-ZDUSSCGKSA-N 0 2 403.920 3.963 20 0 HHADLN O=C(Nc1ccc(F)c(F)c1)c1ccc2c(=O)n(Cc3ccco3)c(=S)[nH]c2c1 ZINC000010493452 961832637 /nfs/dbraw/zinc/83/26/37/961832637.db2.gz QWBHZOWRFPRTTA-UHFFFAOYSA-N 0 2 413.405 3.857 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccccc1OCc1ccc(F)cc1 ZINC000010720972 961894421 /nfs/dbraw/zinc/89/44/21/961894421.db2.gz AUFWPYQFLPAPFU-UHFFFAOYSA-N 0 2 423.469 3.975 20 0 HHADLN CNc1nnc(SCc2nc(=O)c3sc(-c4ccc(OC)cc4)cc3[nH]2)s1 ZINC000011115144 962012098 /nfs/dbraw/zinc/01/20/98/962012098.db2.gz OROQBUBPKOCWSD-UHFFFAOYSA-N 0 2 417.541 3.846 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3ccc(N4CCCC4)c(C)c3)cc2[nH]c1=S ZINC000011326135 962057905 /nfs/dbraw/zinc/05/79/05/962057905.db2.gz WDOPNVVGKIAYAC-UHFFFAOYSA-N 0 2 408.527 3.866 20 0 HHADLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000012225901 962255548 /nfs/dbraw/zinc/25/55/48/962255548.db2.gz JXOSQWJTYYINNT-UHFFFAOYSA-N 0 2 421.526 3.840 20 0 HHADLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1csc(-c2ccco2)n1 ZINC000012822626 962330810 /nfs/dbraw/zinc/33/08/10/962330810.db2.gz LIJZLFRBYKRPLU-UHFFFAOYSA-N 0 2 400.485 3.754 20 0 HHADLN O=C(NNC(=O)c1ccc(Br)cc1)c1occc1COc1ccccc1 ZINC000014204129 962444336 /nfs/dbraw/zinc/44/43/36/962444336.db2.gz CAZDXEYNDGOVSO-UHFFFAOYSA-N 0 2 415.243 3.696 20 0 HHADLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(Br)cc1 ZINC000014375470 962490572 /nfs/dbraw/zinc/49/05/72/962490572.db2.gz RKBOCELPWKZKMQ-UHFFFAOYSA-N 0 2 406.305 3.800 20 0 HHADLN Cc1cccc(CSCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1 ZINC000015626614 962819934 /nfs/dbraw/zinc/81/99/34/962819934.db2.gz KKPGTIFAYBJSEN-UHFFFAOYSA-N 0 2 410.495 3.861 20 0 HHADLN O=C(COc1cccc2ccccc21)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000015683941 962836426 /nfs/dbraw/zinc/83/64/26/962836426.db2.gz HGMJYLIUIJTLGO-UHFFFAOYSA-N 0 2 416.433 3.852 20 0 HHADLN O=C(CSc1nc2ccccc2o1)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000015888210 962892031 /nfs/dbraw/zinc/89/20/31/962892031.db2.gz VMQBDTNYMBGQHI-UHFFFAOYSA-N 0 2 423.450 3.553 20 0 HHADLN COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)c1 ZINC000016096768 962942052 /nfs/dbraw/zinc/94/20/52/962942052.db2.gz WWSUPZHEVQRUGT-UHFFFAOYSA-N 0 2 421.456 3.536 20 0 HHADLN O=S(=O)(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cc(Cl)ccc1Cl ZINC000016100843 962943318 /nfs/dbraw/zinc/94/33/18/962943318.db2.gz DAJNMWLJRKQWOY-UHFFFAOYSA-N 0 2 416.254 3.791 20 0 HHADLN CCOc1ccc(NC(=S)NNC(=O)c2ccc(COc3ccccc3)o2)cc1 ZINC000016240849 962988327 /nfs/dbraw/zinc/98/83/27/962988327.db2.gz UFUZDLPXIPDXLM-UHFFFAOYSA-N 0 2 411.483 3.889 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2[nH]c1=S ZINC000016636486 963078495 /nfs/dbraw/zinc/07/84/95/963078495.db2.gz FFBXZIPZRGUEEE-UHFFFAOYSA-N 0 2 422.337 3.984 20 0 HHADLN O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc(F)ccc1F ZINC000020627275 963391443 /nfs/dbraw/zinc/39/14/43/963391443.db2.gz GZVNEXYXQYTLMV-UHFFFAOYSA-N 0 2 422.375 3.621 20 0 HHADLN O=S(=O)(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1ccccc1F ZINC000022758964 963709998 /nfs/dbraw/zinc/70/99/98/963709998.db2.gz IYVCHTIBKDZNCQ-UHFFFAOYSA-N 0 2 404.442 3.751 20 0 HHADLN C[C@H]1CCCN(Cc2csc(NS(=O)(=O)c3ccc4c(c3)CCCO4)n2)C1 ZINC000537875772 1013452075 /nfs/dbraw/zinc/45/20/75/1013452075.db2.gz YHYCHIYLXIGQRC-AWEZNQCLSA-N 0 2 407.561 3.501 20 0 HHADLN CCOC(=O)C1CCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)CC1 ZINC000024165776 963950568 /nfs/dbraw/zinc/95/05/68/963950568.db2.gz HAWNGKGKSCUVGC-UHFFFAOYSA-N 0 2 415.490 3.978 20 0 HHADLN CCOC(=O)C1CC[NH+](Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)CC1 ZINC000024165776 963950577 /nfs/dbraw/zinc/95/05/77/963950577.db2.gz HAWNGKGKSCUVGC-UHFFFAOYSA-N 0 2 415.490 3.978 20 0 HHADLN N#C[C@H](C(=O)CCSc1ccc(F)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049392608 964165011 /nfs/dbraw/zinc/16/50/11/964165011.db2.gz FINUPVXETAUXKK-MRXNPFEDSA-N 0 2 408.462 3.695 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccc(Br)c(C)c2)cc1OC ZINC000026528711 964589330 /nfs/dbraw/zinc/58/93/30/964589330.db2.gz HYOZACOONKKKQS-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)N(C)[C@@H](C)c3cccs3)cc2[nH]c1=S ZINC000053315291 965127922 /nfs/dbraw/zinc/12/79/22/965127922.db2.gz MRGVHUCGQKFHOK-ZDUSSCGKSA-N 0 2 417.556 3.616 20 0 HHADLN Cc1nc(C(F)(F)F)ccc1C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000029000133 965237637 /nfs/dbraw/zinc/23/76/37/965237637.db2.gz HMDHUSAWLNKYHG-UHFFFAOYSA-N 0 2 419.359 3.656 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1OC ZINC000057704013 965527198 /nfs/dbraw/zinc/52/71/98/965527198.db2.gz GUVOGLMDXKBMDA-UHFFFAOYSA-N 0 2 404.513 3.667 20 0 HHADLN Cc1nccc(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)n1 ZINC000058101735 965624830 /nfs/dbraw/zinc/62/48/30/965624830.db2.gz LWAUFDRRUSYXMH-UHFFFAOYSA-N 0 2 420.853 3.631 20 0 HHADLN CC[C@H]1CCCCN1C(=O)CSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1 ZINC000054749246 965630365 /nfs/dbraw/zinc/63/03/65/965630365.db2.gz QVGICPNDVMKZAU-HNNXBMFYSA-N 0 2 412.515 3.613 20 0 HHADLN COc1ccc(-c2nc(S[C@H](C)C(=O)NC3CCCCC3)[nH]c(=O)c2C#N)cc1 ZINC000054749338 965631987 /nfs/dbraw/zinc/63/19/87/965631987.db2.gz NPCIRRSFYNPWOK-CYBMUJFWSA-N 0 2 412.515 3.659 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(COc2ccccc2)cc1 ZINC000538016256 1013588315 /nfs/dbraw/zinc/58/83/15/1013588315.db2.gz XWKAPXMBAJRNJV-UHFFFAOYSA-N 0 2 415.442 3.992 20 0 HHADLN C[C@@H]1CCCN(C2=NC(=O)C(CC(=O)Nc3ccc(Br)cc3)S2)C1 ZINC000055117766 965761591 /nfs/dbraw/zinc/76/15/91/965761591.db2.gz RFVXSMVDSBIYCV-RISCZKNCSA-N 0 2 410.337 3.508 20 0 HHADLN CCCC1CCC(NC(=O)c2ccc3c(c2)[nH]c(=S)n(CCCOC)c3=O)CC1 ZINC000055432176 965861562 /nfs/dbraw/zinc/86/15/62/965861562.db2.gz ICQGJCMKPUZRQB-UHFFFAOYSA-N 0 2 417.575 3.810 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H]3CCOc4c(Cl)cccc43)s[nH]2)c1 ZINC000542690732 1013609695 /nfs/dbraw/zinc/60/96/95/1013609695.db2.gz JWMBCRZXFDSFKW-OAHLLOKOSA-N 0 2 416.890 3.934 20 0 HHADLN CC(C)(C)OC(=O)NNC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000058836271 965925972 /nfs/dbraw/zinc/92/59/72/965925972.db2.gz ZZPNWWQRDINVEX-UHFFFAOYSA-N 0 2 404.311 3.804 20 0 HHADLN O=S(=O)(Nc1cccc(OCC(F)(F)F)c1)c1c(Cl)nc2ccccn21 ZINC000055587390 965942072 /nfs/dbraw/zinc/94/20/72/965942072.db2.gz JSAPWMNRUPZIGZ-UHFFFAOYSA-N 0 2 405.785 3.730 20 0 HHADLN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1COC ZINC000055595309 965950461 /nfs/dbraw/zinc/95/04/61/965950461.db2.gz QDUADCVQZXXMDB-UHFFFAOYSA-N 0 2 400.294 3.795 20 0 HHADLN CCc1cccc(Oc2ccc(NS(=O)(=O)c3c(C)nn(C)c3Cl)cn2)c1 ZINC000055621861 965968837 /nfs/dbraw/zinc/96/88/37/965968837.db2.gz ULLINGISSOIMEZ-UHFFFAOYSA-N 0 2 406.895 3.932 20 0 HHADLN CO[C@H](C)C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000055621935 965969529 /nfs/dbraw/zinc/96/95/29/965969529.db2.gz QVEFSMHYYRSFQZ-SNVBAGLBSA-N 0 2 403.287 3.768 20 0 HHADLN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NS(=O)(=O)c1cc(F)ccc1F ZINC000055651287 965996971 /nfs/dbraw/zinc/99/69/71/965996971.db2.gz TUNYNQIHGROCSF-UHFFFAOYSA-N 0 2 408.470 3.946 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1COc1ccccc1 ZINC000055688022 966019418 /nfs/dbraw/zinc/01/94/18/966019418.db2.gz FCACVNSITVXFHI-UHFFFAOYSA-N 0 2 403.481 3.915 20 0 HHADLN CCCCOc1ccccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000055688540 966020100 /nfs/dbraw/zinc/02/01/00/966020100.db2.gz WXMKEBJAMPMSFR-UHFFFAOYSA-N 0 2 417.936 3.723 20 0 HHADLN COCCCN(Cc1ccncc1)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000542727192 1013639050 /nfs/dbraw/zinc/63/90/50/1013639050.db2.gz FYQAGNGPXPQEKO-UHFFFAOYSA-N 0 2 417.922 3.746 20 0 HHADLN COCc1cc(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)ccc1F ZINC000542726183 1013637515 /nfs/dbraw/zinc/63/75/15/1013637515.db2.gz AGQUVIXPAIQNQQ-UHFFFAOYSA-N 0 2 406.870 3.888 20 0 HHADLN CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3cc(C)ccc3C)n2)s1 ZINC000060733623 966269960 /nfs/dbraw/zinc/26/99/60/966269960.db2.gz VLDRLKLPGYGXDI-UHFFFAOYSA-N 0 2 421.569 3.925 20 0 HHADLN CCOC(=O)c1cnn(-c2cccc(NS(=O)(=O)c3ccc(C)s3)c2)c1C ZINC000032596754 966290239 /nfs/dbraw/zinc/29/02/39/966290239.db2.gz HMQDIKRYFMPLTG-UHFFFAOYSA-N 0 2 405.501 3.528 20 0 HHADLN C[C@@H](C(=O)Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1)n1cccn1 ZINC000032600380 966292316 /nfs/dbraw/zinc/29/23/16/966292316.db2.gz ZUPDALZDLGYGLO-LBPRGKRZSA-N 0 2 422.869 3.676 20 0 HHADLN N#CC(C(=O)COc1cccc(NC(=O)c2ccco2)c1)c1nc2ccccc2[nH]1 ZINC000041494295 966580472 /nfs/dbraw/zinc/58/04/72/966580472.db2.gz VDJVTBAWTHVJDY-MRXNPFEDSA-N 0 2 400.394 3.663 20 0 HHADLN N#C[C@H](C(=O)COc1cccc(NC(=O)c2ccco2)c1)c1nc2ccccc2[nH]1 ZINC000041494295 966580478 /nfs/dbraw/zinc/58/04/78/966580478.db2.gz VDJVTBAWTHVJDY-MRXNPFEDSA-N 0 2 400.394 3.663 20 0 HHADLN N#C[C@@H](C(=O)C1CCN(C(=O)c2cccnc2)CC1)c1nc(-c2ccccc2)cs1 ZINC000041522189 966586669 /nfs/dbraw/zinc/58/66/69/966586669.db2.gz AHIJEGLRIZAXGO-IBGZPJMESA-N 0 2 416.506 3.934 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(Oc3cccnc3)c(C)c2)c1 ZINC000063180792 966768463 /nfs/dbraw/zinc/76/84/63/966768463.db2.gz GROCUQQJDRSQOB-UHFFFAOYSA-N 0 2 416.430 3.909 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 ZINC000063183209 966771633 /nfs/dbraw/zinc/77/16/33/966771633.db2.gz BACDOHNAENCNOM-UHFFFAOYSA-N 0 2 410.423 3.676 20 0 HHADLN CCOc1cccc([C@H](C)NC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1 ZINC000063323809 966819172 /nfs/dbraw/zinc/81/91/72/966819172.db2.gz IAEGIEPPCGMYMB-INIZCTEOSA-N 0 2 423.469 3.963 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2nc3ccc(OCC)cc3s2)cc1 ZINC000063442264 966858672 /nfs/dbraw/zinc/85/86/72/966858672.db2.gz SSJKQMMLIHCXEA-UHFFFAOYSA-N 0 2 422.528 3.911 20 0 HHADLN CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)NNC(=O)c1ccccn1 ZINC000063500157 966876732 /nfs/dbraw/zinc/87/67/32/966876732.db2.gz MQCCCXKOQDKVNO-UHFFFAOYSA-N 0 2 406.442 3.657 20 0 HHADLN O=S(=O)(Nc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000064478099 967204661 /nfs/dbraw/zinc/20/46/61/967204661.db2.gz FWJLPTZCASXJSP-UHFFFAOYSA-N 0 2 422.915 3.942 20 0 HHADLN O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1cc(-c2ccco2)n[nH]1 ZINC000064509907 967219278 /nfs/dbraw/zinc/21/92/78/967219278.db2.gz KHYLJRIQIOWHSE-UHFFFAOYSA-N 0 2 408.439 3.723 20 0 HHADLN Cc1sc2nc(SCc3n[nH]c(=O)[nH]3)n(-c3cccc(C)c3C)c(=O)c2c1C ZINC000538149278 1013708268 /nfs/dbraw/zinc/70/82/68/1013708268.db2.gz RHLFRULKZYEYCV-UHFFFAOYSA-N 0 2 413.528 3.797 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)c1cc[nH]n1 ZINC000045031792 967337045 /nfs/dbraw/zinc/33/70/45/967337045.db2.gz PYCISYGUZBNQLZ-UHFFFAOYSA-N 0 2 411.270 3.770 20 0 HHADLN CCCCc1noc([C@@H](C)Sc2nc(-c3ccc(OC)cc3)c(C#N)c(=O)[nH]2)n1 ZINC000045104201 967355900 /nfs/dbraw/zinc/35/59/00/967355900.db2.gz CULWZPPPEPIUMA-GFCCVEGCSA-N 0 2 411.487 3.896 20 0 HHADLN Cc1ccc(C)c(OCC(=O)NNC(=O)c2cnc(-c3ccccc3Cl)s2)c1 ZINC000065082042 967369132 /nfs/dbraw/zinc/36/91/32/967369132.db2.gz LTPHLJYAWHHVTC-UHFFFAOYSA-N 0 2 415.902 3.920 20 0 HHADLN CCNC(=O)c1cccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 ZINC000065105576 967378354 /nfs/dbraw/zinc/37/83/54/967378354.db2.gz CDNIRMMWQQJATI-UHFFFAOYSA-N 0 2 413.275 3.841 20 0 HHADLN CN(C)C(=O)c1ccccc1NC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000065107352 967380014 /nfs/dbraw/zinc/38/00/14/967380014.db2.gz NTWKZLLRCZMSFX-UHFFFAOYSA-N 0 2 413.275 3.793 20 0 HHADLN O=C(Nc1cccc(Cn2cncn2)c1)c1[nH]nc(-c2ccccc2)c1Br ZINC000065108031 967380346 /nfs/dbraw/zinc/38/03/46/967380346.db2.gz UGCXSDUOGCRQSY-UHFFFAOYSA-N 0 2 423.274 3.731 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)CC(C)C)ccc1Cl ZINC000045470516 967470305 /nfs/dbraw/zinc/47/03/05/967470305.db2.gz QDYJKWBLAHUYMQ-UHFFFAOYSA-N 0 2 410.923 3.877 20 0 HHADLN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S(=O)(=O)Cc2ccc(C(C)(C)C)cc2)c1C ZINC000065519293 967503448 /nfs/dbraw/zinc/50/34/48/967503448.db2.gz FGBYOFIDXXEJKF-HNNXBMFYSA-N 0 2 419.543 3.902 20 0 HHADLN CCn1c(SCC(=O)NOCc2ccccc2)nnc1-c1cccc(Cl)c1 ZINC000045963972 967609219 /nfs/dbraw/zinc/60/92/19/967609219.db2.gz YJELNOJIRYYFDZ-UHFFFAOYSA-N 0 2 402.907 3.959 20 0 HHADLN N#Cc1c(SCC(=O)OCCOc2cccc(F)c2)[nH]c(=O)cc1C(F)(F)F ZINC000046228649 967703253 /nfs/dbraw/zinc/70/32/53/967703253.db2.gz PRESFUMVHPRXDL-UHFFFAOYSA-N 0 2 416.352 3.531 20 0 HHADLN Cc1ccc(Cc2nnc(NS(=O)(=O)c3ccc(C(F)(F)F)nc3)s2)cc1 ZINC000542933138 1013767767 /nfs/dbraw/zinc/76/77/67/1013767767.db2.gz XFVBIWOPNOKUAO-UHFFFAOYSA-N 0 2 414.434 3.652 20 0 HHADLN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccccc2NC(=O)N2CCCC2)c1 ZINC000047521346 968219874 /nfs/dbraw/zinc/21/98/74/968219874.db2.gz DFKJKJZGRNJFPX-UHFFFAOYSA-N 0 2 410.499 3.972 20 0 HHADLN O=S(=O)(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)c1nc2ccccc2[nH]1 ZINC000047940100 968373438 /nfs/dbraw/zinc/37/34/38/968373438.db2.gz ABULOVMIUROHCI-UHFFFAOYSA-N 0 2 408.361 3.606 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)s[nH]1 ZINC000554186303 1013842898 /nfs/dbraw/zinc/84/28/98/1013842898.db2.gz RVWUZRBVFNXZCQ-LBPRGKRZSA-N 0 2 403.335 3.810 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccc(OC)cc3)cc2[nH]c1=S ZINC000103361910 969200121 /nfs/dbraw/zinc/20/01/21/969200121.db2.gz UEBFTSADFSDBMO-IBGZPJMESA-N 0 2 409.511 3.691 20 0 HHADLN CCCOC(=O)c1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1 ZINC000105547247 969245672 /nfs/dbraw/zinc/24/56/72/969245672.db2.gz FDOKNTFZPDLLFX-UHFFFAOYSA-N 0 2 403.378 3.953 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)Nc3cccc(F)c3F)cc2[nH]c1=S ZINC000116032615 969868598 /nfs/dbraw/zinc/86/85/98/969868598.db2.gz VZDNHQPYITVNCH-UHFFFAOYSA-N 0 2 405.426 3.626 20 0 HHADLN CSCCC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000117614279 969960244 /nfs/dbraw/zinc/96/02/44/969960244.db2.gz DIHAQYQDXNFXOJ-UHFFFAOYSA-N 0 2 402.900 3.972 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)c1 ZINC000146159053 970282308 /nfs/dbraw/zinc/28/23/08/970282308.db2.gz GHNHRKMBKNHZQK-UHFFFAOYSA-N 0 2 404.419 3.685 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)Nc2nccs2)cc1Br ZINC000161637021 970444811 /nfs/dbraw/zinc/44/48/11/970444811.db2.gz OARRQPNVXJQYFK-UHFFFAOYSA-N 0 2 412.128 3.777 20 0 HHADLN O=C([O-])C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000238177961 970455808 /nfs/dbraw/zinc/45/58/08/970455808.db2.gz ZCLIRDNVMVGHFH-QGZVFWFLSA-N 0 2 414.259 3.581 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)cc2[nH]c1=S ZINC000248242106 970522550 /nfs/dbraw/zinc/52/25/50/970522550.db2.gz OXJPIVBUNUUTPA-GOSISDBHSA-N 0 2 421.526 3.709 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NC[C@H](C)c3nc4ccccc4s3)cc2[nH]c1=S ZINC000261381883 970638345 /nfs/dbraw/zinc/63/83/45/970638345.db2.gz SNBHHSQGELCJEW-LBPRGKRZSA-N 0 2 424.551 3.848 20 0 HHADLN O=C(c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O)N1CCC[C@@H]1C1CCC1 ZINC000261394520 970648689 /nfs/dbraw/zinc/64/86/89/970648689.db2.gz WHMPFENLDXBACU-LJQANCHMSA-N 0 2 409.511 3.731 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(CCCc3cccs3)o2)c(Cl)c1 ZINC000554731285 1014033548 /nfs/dbraw/zinc/03/35/48/1014033548.db2.gz NBBFCUTYTDMPDO-UHFFFAOYSA-N 0 2 413.908 3.769 20 0 HHADLN CCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000322309525 972699120 /nfs/dbraw/zinc/69/91/20/972699120.db2.gz KRIODOCGTNAVJV-UHFFFAOYSA-N 0 2 401.257 3.738 20 0 HHADLN CC(=O)Nc1cc(NS(=O)(=O)c2ccc(Br)cc2F)ccc1C ZINC000322521372 972700744 /nfs/dbraw/zinc/70/07/44/972700744.db2.gz SYUFPPOWKACORF-UHFFFAOYSA-N 0 2 401.257 3.656 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccnn2Cc2cccc(Br)c2)c1 ZINC000409453940 972896969 /nfs/dbraw/zinc/89/69/69/972896969.db2.gz AKCXVUJVLCWPFE-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(C)c(Cc3cccc(F)c3)s2)cc1 ZINC000409520585 972976139 /nfs/dbraw/zinc/97/61/39/972976139.db2.gz QRAXVJZRTNRCTK-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000409531233 972987667 /nfs/dbraw/zinc/98/76/67/972987667.db2.gz BIQVEPUCWXDTCE-UHFFFAOYSA-N 0 2 424.475 3.670 20 0 HHADLN Cc1cc(Cl)ccc1Cc1cnc(NS(=O)(=O)c2cccc(C(N)=O)c2)s1 ZINC000409533211 972989564 /nfs/dbraw/zinc/98/95/64/972989564.db2.gz WPWDTXOODCCXMS-UHFFFAOYSA-N 0 2 421.931 3.595 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)CCCCCC2)c1cnn(Cc2ccccc2)c1 ZINC000409559913 973013406 /nfs/dbraw/zinc/01/34/06/973013406.db2.gz YUMSWPIUQKDELC-UHFFFAOYSA-N 0 2 402.545 3.848 20 0 HHADLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3cc(C(=O)OC)cs3)sc2C1 ZINC000409669282 973129110 /nfs/dbraw/zinc/12/91/10/973129110.db2.gz UATLCUDJPIDXQK-JTQLQIEISA-N 0 2 400.547 3.697 20 0 HHADLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)sc2C1 ZINC000409669356 973129233 /nfs/dbraw/zinc/12/92/33/973129233.db2.gz VBDSIFJNHCVDME-CYBMUJFWSA-N 0 2 419.572 3.741 20 0 HHADLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)sc2C1 ZINC000409669056 973129458 /nfs/dbraw/zinc/12/94/58/973129458.db2.gz SXUJNOGMDAUWSB-ZDUSSCGKSA-N 0 2 407.561 3.551 20 0 HHADLN Cn1nccc1S(=O)(=O)Nc1nc(C2CC2)c(Cc2ccccc2Cl)s1 ZINC000409672470 973133741 /nfs/dbraw/zinc/13/37/41/973133741.db2.gz QIRKIKNWAYCPKS-UHFFFAOYSA-N 0 2 408.936 3.799 20 0 HHADLN O=C(C[C@H]1CCCCC(=O)N1)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000409708621 973180253 /nfs/dbraw/zinc/18/02/53/973180253.db2.gz KNKGJQDROLCKMP-MRXNPFEDSA-N 0 2 422.510 3.807 20 0 HHADLN CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N=c1nc(C(C)(C)C)[nH]s1)O[C@H](C)C2 ZINC000409926967 973388721 /nfs/dbraw/zinc/38/87/21/973388721.db2.gz SZXUZLMFALKTCS-OSAQELSMSA-N 0 2 401.532 3.722 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cc3ccc(Br)cn3n2)c(C)c1 ZINC000410324296 973875009 /nfs/dbraw/zinc/87/50/09/973875009.db2.gz IFVUGOMGGMNTTC-UHFFFAOYSA-N 0 2 410.293 3.605 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccc2F)c1)c1cccc(Br)c1F ZINC000410384044 973982656 /nfs/dbraw/zinc/98/26/56/973982656.db2.gz RMCYLNAXPYSFNR-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2OC(F)F)cc1OC ZINC000410401069 974000532 /nfs/dbraw/zinc/00/05/32/974000532.db2.gz VCKXJIQITRMRBO-UHFFFAOYSA-N 0 2 421.805 3.537 20 0 HHADLN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000410407852 974007252 /nfs/dbraw/zinc/00/72/52/974007252.db2.gz QBSCSDJNWNROFG-MRXNPFEDSA-N 0 2 422.572 3.764 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1I ZINC000426193760 974302344 /nfs/dbraw/zinc/30/23/44/974302344.db2.gz WGQQMBXXKAWOFF-UHFFFAOYSA-N 0 2 424.263 3.949 20 0 HHADLN O=C([O-])[C@H](CN1CCCc2ccccc21)[NH2+]Cc1csc(-c2ccc(F)cc2)n1 ZINC000426738294 974625693 /nfs/dbraw/zinc/62/56/93/974625693.db2.gz UXXOZNXKTCQAMC-IBGZPJMESA-N 0 2 411.502 3.945 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(C(=O)N(C)C3CCCCC3)c(Cl)c2)cnn1C ZINC000427111792 974912971 /nfs/dbraw/zinc/91/29/71/974912971.db2.gz VTHYLEQPJSDKNV-UHFFFAOYSA-N 0 2 424.954 3.587 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(-c3cccc(C)c3)nn2-c2ccccc2)cnn1C ZINC000427197764 974971742 /nfs/dbraw/zinc/97/17/42/974971742.db2.gz LNEHKKLQPSKJKZ-UHFFFAOYSA-N 0 2 407.499 3.690 20 0 HHADLN O=S(=O)(Nc1ccc(O[C@@H]2CCOC2)cc1)c1cccc(OC(F)(F)F)c1F ZINC000427262345 975011707 /nfs/dbraw/zinc/01/17/07/975011707.db2.gz HJJBBYPQYZBBJF-CYBMUJFWSA-N 0 2 421.368 3.693 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cccc(-c3ncco3)c2C)cn1 ZINC000427318710 975048790 /nfs/dbraw/zinc/04/87/90/975048790.db2.gz FFDLWPDTBDANGV-UHFFFAOYSA-N 0 2 410.455 3.645 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC[C@H](Oc4ncccc4F)C3)=N2)cc1 ZINC000427442129 975120614 /nfs/dbraw/zinc/12/06/14/975120614.db2.gz DOBWZXJKXYXWIA-SFHVURJKSA-N 0 2 424.476 3.919 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)cn2)c2ccccc12 ZINC000427630999 975216789 /nfs/dbraw/zinc/21/67/89/975216789.db2.gz PELUYEZRNQPSRE-UHFFFAOYSA-N 0 2 407.398 3.595 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccn2)c1 ZINC000427747218 975265396 /nfs/dbraw/zinc/26/53/96/975265396.db2.gz UCVNTDIYNPEGGA-UHFFFAOYSA-N 0 2 408.785 3.731 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cnn(C)c2C)sc1Cc1cccc(Cl)c1F ZINC000427755403 975270349 /nfs/dbraw/zinc/27/03/49/975270349.db2.gz UHDREFGYMIREQY-UHFFFAOYSA-N 0 2 414.915 3.678 20 0 HHADLN CN1Cc2cccc(NS(=O)(=O)c3c(Cl)cc(F)cc3Br)c2C1 ZINC000427764186 975275688 /nfs/dbraw/zinc/27/56/88/975275688.db2.gz LEKMRXWJSKJDBA-UHFFFAOYSA-N 0 2 419.703 3.988 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)co2)cc1Br ZINC000427764816 975276094 /nfs/dbraw/zinc/27/60/94/975276094.db2.gz MDHYQNYXRJUEMQ-UHFFFAOYSA-N 0 2 403.298 3.934 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1cccc2c1CN(C)C2 ZINC000427767887 975277874 /nfs/dbraw/zinc/27/78/74/975277874.db2.gz QBPIRIDLUPLKEE-UHFFFAOYSA-N 0 2 410.923 3.502 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(-c3ccco3)nn2-c2ccc(Cl)cc2)cnn1C ZINC000427768828 975278256 /nfs/dbraw/zinc/27/82/56/975278256.db2.gz GIENTALGOAUJIQ-UHFFFAOYSA-N 0 2 417.878 3.628 20 0 HHADLN O=S(=O)(Nc1ncn(C2CCCCC2)n1)c1cccc(OC(F)(F)F)c1F ZINC000427795626 975293218 /nfs/dbraw/zinc/29/32/18/975293218.db2.gz FMTVBQZGKKZCER-UHFFFAOYSA-N 0 2 408.377 3.622 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2C(F)(F)F)cnc1C ZINC000427796296 975294070 /nfs/dbraw/zinc/29/40/70/975294070.db2.gz HRUBLLUEPNDXIS-UHFFFAOYSA-N 0 2 408.785 3.650 20 0 HHADLN CCCc1c(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cnn1-c1ccccc1C ZINC000428782101 976056751 /nfs/dbraw/zinc/05/67/51/976056751.db2.gz PTZQIEXVMMZPIN-UHFFFAOYSA-N 0 2 404.499 3.721 20 0 HHADLN O=C(N[C@H](CO)c1cccc(F)c1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430565141 977633766 /nfs/dbraw/zinc/63/37/66/977633766.db2.gz OMBFKJVXBVZCGK-JOCHJYFZSA-N 0 2 418.424 3.923 20 0 HHADLN O=C(N[C@@H](CCO)c1ccco1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430572626 977638491 /nfs/dbraw/zinc/63/84/91/977638491.db2.gz PVYPCQXCMSRNPM-FQEVSTJZSA-N 0 2 404.422 3.767 20 0 HHADLN O=C(N[C@H]1c2ccccc2C[C@H]1O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430597179 977650359 /nfs/dbraw/zinc/65/03/59/977650359.db2.gz PXLTWWXHBPNFCJ-PKTZIBPZSA-N 0 2 412.445 3.709 20 0 HHADLN COC(=O)[C@@H]1CCN(C(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)C[C@@H]1C ZINC000430627545 977659897 /nfs/dbraw/zinc/65/98/97/977659897.db2.gz MGGFBGJDGYPQEE-MAUKXSAKSA-N 0 2 420.465 3.592 20 0 HHADLN O=C(NCc1nccn1C(F)F)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430631208 977660742 /nfs/dbraw/zinc/66/07/42/977660742.db2.gz UHWCCXCPOLKZRC-UHFFFAOYSA-N 0 2 410.380 3.842 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000430900385 977867241 /nfs/dbraw/zinc/86/72/41/977867241.db2.gz NTDWGHQGLNFNLF-JKSUJKDBSA-N 0 2 409.465 3.658 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000430900854 977868852 /nfs/dbraw/zinc/86/88/52/977868852.db2.gz QDFMTYVNMJADNE-LEWJYISDSA-N 0 2 413.481 3.892 20 0 HHADLN CNC(=O)c1cc(Oc2cccc(NS(=O)(=O)c3sc(C)cc3C)c2)ccn1 ZINC000431147255 978049126 /nfs/dbraw/zinc/04/91/26/978049126.db2.gz UAJNYQXQPVSFIR-UHFFFAOYSA-N 0 2 417.512 3.713 20 0 HHADLN COc1cc(NS(=O)(=O)c2ccc(Br)cc2F)cc(OC)c1C ZINC000431161006 978061896 /nfs/dbraw/zinc/06/18/96/978061896.db2.gz CXOANFHSUBRBMT-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN Cc1ccc(CCCC(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)s1 ZINC000431170714 978071736 /nfs/dbraw/zinc/07/17/36/978071736.db2.gz WTAHXYXEAGDYRE-UHFFFAOYSA-N 0 2 422.557 3.670 20 0 HHADLN C[C@@H](NC(=O)N=c1nc(C(C)(C)C)[nH]s1)c1noc(-c2ccc(Cl)cc2)n1 ZINC000431183550 978081887 /nfs/dbraw/zinc/08/18/87/978081887.db2.gz YBZBRIUMRYMSSB-SECBINFHSA-N 0 2 406.899 3.844 20 0 HHADLN C[C@H]1Cc2cc(S(=O)(=O)Nc3nnc(SCc4ccccc4)s3)ccc2O1 ZINC000431318040 978203677 /nfs/dbraw/zinc/20/36/77/978203677.db2.gz GADSMEXDPJQZQC-LBPRGKRZSA-N 0 2 419.553 3.955 20 0 HHADLN O=S(=O)(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1cncc(F)c1 ZINC000431326021 978211133 /nfs/dbraw/zinc/21/11/33/978211133.db2.gz LNDVWHWJFQIYFA-UHFFFAOYSA-N 0 2 416.912 3.819 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(Br)c2)s1)c1ccccc1F ZINC000431328939 978214078 /nfs/dbraw/zinc/21/40/78/978214078.db2.gz PKCNUPXKEUDGCO-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc3c(c2)OCCO3)cnn1-c1ccc(C)cc1 ZINC000431904689 978589269 /nfs/dbraw/zinc/58/92/69/978589269.db2.gz SCTVJKPOFGPPCZ-UHFFFAOYSA-N 0 2 413.499 3.705 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cnn1-c1ccccc1C ZINC000432054617 978662693 /nfs/dbraw/zinc/66/26/93/978662693.db2.gz VVLUTYUNNUWVDR-UHFFFAOYSA-N 0 2 422.510 3.776 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N[C@@H]2C[C@H]2c2ccc(Br)s2)s[nH]1 ZINC000432084108 978673662 /nfs/dbraw/zinc/67/36/62/978673662.db2.gz COAOVZVIDMPMSS-HTQZYQBOSA-N 0 2 401.355 3.759 20 0 HHADLN O=c1ccc2cc(S(=O)(=O)Nc3ncc(Cc4ccccc4F)s3)ccc2[nH]1 ZINC000432353305 978773371 /nfs/dbraw/zinc/77/33/71/978773371.db2.gz KCMKYYFZMQSCLX-UHFFFAOYSA-N 0 2 415.471 3.515 20 0 HHADLN O=S(=O)(Nc1cccnc1Nc1ccc(Br)cc1)c1cccnc1 ZINC000432354361 978774468 /nfs/dbraw/zinc/77/44/68/978774468.db2.gz WGRAYIAWRKBPQS-UHFFFAOYSA-N 0 2 405.277 3.784 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ncc(-c4ccc(F)cc4)s3)cc21 ZINC000432367502 978780545 /nfs/dbraw/zinc/78/05/45/978780545.db2.gz LFDJHNDLZJHWMM-UHFFFAOYSA-N 0 2 417.487 3.659 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)ccc1C ZINC000432368219 978781060 /nfs/dbraw/zinc/78/10/60/978781060.db2.gz OQKBLAJPZRUCPA-UHFFFAOYSA-N 0 2 406.460 3.845 20 0 HHADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)c1 ZINC000432368826 978781398 /nfs/dbraw/zinc/78/13/98/978781398.db2.gz OAEBLKSMIVBOBT-UHFFFAOYSA-N 0 2 410.423 3.676 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)cnn1-c1ccccn1 ZINC000432369910 978782003 /nfs/dbraw/zinc/78/20/03/978782003.db2.gz SBZYUOMSCZEFLE-UHFFFAOYSA-N 0 2 415.475 3.639 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)n(Cc2ccccn2)n1 ZINC000432389202 978792672 /nfs/dbraw/zinc/79/26/72/978792672.db2.gz UINDEHWQCUMPBO-UHFFFAOYSA-N 0 2 403.316 3.804 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)cn1 ZINC000432462138 978824980 /nfs/dbraw/zinc/82/49/80/978824980.db2.gz RXRRQPZMAQJDOJ-UHFFFAOYSA-N 0 2 414.274 3.593 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)cc1OC ZINC000432480930 978839113 /nfs/dbraw/zinc/83/91/13/978839113.db2.gz UXQSAXRLNNTPGF-UHFFFAOYSA-N 0 2 419.434 3.571 20 0 HHADLN O=S(=O)(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cnccc1C(F)(F)F ZINC000432485865 978841740 /nfs/dbraw/zinc/84/17/40/978841740.db2.gz OYCGYQMMHAFXPN-UHFFFAOYSA-N 0 2 410.377 3.829 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1nnc([C@@H]2CCCc3ccccc32)s1 ZINC000432531186 978868020 /nfs/dbraw/zinc/86/80/20/978868020.db2.gz NPQWSSKKOVZEAV-QGZVFWFLSA-N 0 2 415.540 3.954 20 0 HHADLN CN1C(=O)Cc2cc(NS(=O)(=O)c3c(Cl)cccc3C(F)(F)F)ccc21 ZINC000432619064 978913251 /nfs/dbraw/zinc/91/32/51/978913251.db2.gz QBKJPOKALFUTBO-UHFFFAOYSA-N 0 2 404.797 3.679 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc(Br)cc3C)cnc2c1Cl ZINC000432749465 978958519 /nfs/dbraw/zinc/95/85/19/978958519.db2.gz YMVGZEOEIJCJNJ-UHFFFAOYSA-N 0 2 415.700 3.563 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nn(-c3ncccc3F)cc2C)cc1C(C)C ZINC000432774826 978970646 /nfs/dbraw/zinc/97/06/46/978970646.db2.gz FICUGRNAGKBFSN-UHFFFAOYSA-N 0 2 418.494 3.956 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)Nc3ccc(O)cc3OC(C)C)s[nH]2)c1 ZINC000433086058 979065696 /nfs/dbraw/zinc/06/56/96/979065696.db2.gz YSLDCNOGNFPERC-UHFFFAOYSA-N 0 2 400.460 3.772 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)cc1C ZINC000433132653 979090589 /nfs/dbraw/zinc/09/05/89/979090589.db2.gz GJPSMTUVMFHPKS-UHFFFAOYSA-N 0 2 403.460 3.620 20 0 HHADLN O=S(=O)(Nc1nccc(-c2cncc(F)c2)n1)c1ccc(C(F)(F)F)cc1F ZINC000433137140 979093340 /nfs/dbraw/zinc/09/33/40/979093340.db2.gz ZKQKCTROLUBODL-UHFFFAOYSA-N 0 2 416.331 3.636 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)cc1 ZINC000433137856 979093531 /nfs/dbraw/zinc/09/35/31/979093531.db2.gz VHQIPLSNROHZIO-UHFFFAOYSA-N 0 2 402.476 3.508 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nccc(-c3cncc(F)c3)n2)c(Br)c1 ZINC000433142016 979095960 /nfs/dbraw/zinc/09/59/60/979095960.db2.gz BXYGJKRUKDJILV-UHFFFAOYSA-N 0 2 423.267 3.549 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)cc1OC ZINC000433147834 979099143 /nfs/dbraw/zinc/09/91/43/979099143.db2.gz PDYHOGILZJXWCF-UHFFFAOYSA-N 0 2 405.476 3.850 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)ccc1C ZINC000433151361 979101479 /nfs/dbraw/zinc/10/14/79/979101479.db2.gz IFWVNPZSBVJEMJ-UHFFFAOYSA-N 0 2 402.476 3.792 20 0 HHADLN Cc1c([N-]S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)noc1-c1ccccc1F ZINC000433171052 979115387 /nfs/dbraw/zinc/11/53/87/979115387.db2.gz BZFBXIPSQSALSZ-UHFFFAOYSA-N 0 2 412.446 3.835 20 0 HHADLN O=C(Cc1cccc(OCC(F)(F)F)c1)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000433218532 979152449 /nfs/dbraw/zinc/15/24/49/979152449.db2.gz JIPJDGHBPAZCNJ-UHFFFAOYSA-N 0 2 412.318 3.872 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)cc1Cl ZINC000433511053 979347244 /nfs/dbraw/zinc/34/72/44/979347244.db2.gz RXOZWFZUZTWWAR-UHFFFAOYSA-N 0 2 422.732 3.863 20 0 HHADLN COC(=O)Cc1cccc(NS(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000433618445 979429293 /nfs/dbraw/zinc/42/92/93/979429293.db2.gz SJJKJNMBRLRNES-UHFFFAOYSA-N 0 2 424.725 3.680 20 0 HHADLN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434372170 980120010 /nfs/dbraw/zinc/12/00/10/980120010.db2.gz HEBFYNYUUCPZQN-LJQANCHMSA-N 0 2 409.578 3.629 20 0 HHADLN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000434637819 980311959 /nfs/dbraw/zinc/31/19/59/980311959.db2.gz PCYQCAYFDGTVKY-KRWDZBQOSA-N 0 2 405.516 3.979 20 0 HHADLN CC(C)[C@@H](CNC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000434688781 980341083 /nfs/dbraw/zinc/34/10/83/980341083.db2.gz PNGOGSIRAFNQCL-HSZRJFAPSA-N 0 2 408.590 3.955 20 0 HHADLN Cc1c(NS(=O)(=O)c2cccc(Br)c2)cnn1-c1ccccc1F ZINC000435130994 980662126 /nfs/dbraw/zinc/66/21/26/980662126.db2.gz AFVZKIMWPLOBAS-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN Cn1cc(-c2[nH]ncc2C(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)cn1 ZINC000435946773 981107422 /nfs/dbraw/zinc/10/74/22/981107422.db2.gz BYVQORFWNVLCJO-KIHDROPUSA-N 0 2 409.493 3.837 20 0 HHADLN O=C(c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1)N1CCCC1 ZINC000436007552 981150005 /nfs/dbraw/zinc/15/00/05/981150005.db2.gz NLGLUIUQVQBWDP-UHFFFAOYSA-N 0 2 416.396 3.881 20 0 HHADLN O=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1cnc(-c2ccccc2)nc1 ZINC000436013587 981155457 /nfs/dbraw/zinc/15/54/57/981155457.db2.gz NFBZSOVFPNOJGG-UHFFFAOYSA-N 0 2 405.439 3.527 20 0 HHADLN CCCC(=O)Nc1cccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)c1C ZINC000436021737 981161351 /nfs/dbraw/zinc/16/13/51/981161351.db2.gz PMGKUFLGUWOCOS-UHFFFAOYSA-N 0 2 410.499 3.991 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cccc3[nH]ccc32)c(OC)cc1Br ZINC000436022525 981162410 /nfs/dbraw/zinc/16/24/10/981162410.db2.gz SGIXTKCOGFUUSB-UHFFFAOYSA-N 0 2 411.277 3.748 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2cc3[nH]ccc3cc2C)c1 ZINC000436152263 981223268 /nfs/dbraw/zinc/22/32/68/981223268.db2.gz JOEVYRSSAPJEBA-UHFFFAOYSA-N 0 2 406.435 3.602 20 0 HHADLN Cn1ncc(NS(=O)(=O)c2ccc(Br)cc2Cl)c1C(F)(F)F ZINC000436163275 981229075 /nfs/dbraw/zinc/22/90/75/981229075.db2.gz VOQZLINELVXXRP-UHFFFAOYSA-N 0 2 418.622 3.656 20 0 HHADLN Cc1c(NS(=O)(=O)c2cnc3ccc(F)cc3c2)cnn1-c1ccccc1F ZINC000436477751 981393977 /nfs/dbraw/zinc/39/39/77/981393977.db2.gz NBCLLCPENDYKGN-UHFFFAOYSA-N 0 2 400.410 3.808 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)Nc1cnn(CC(C)C)c1 ZINC000436506885 981407708 /nfs/dbraw/zinc/40/77/08/981407708.db2.gz DMSQGTBKGFTIRT-HXUWFJFHSA-N 0 2 424.549 3.784 20 0 HHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000436533202 981425077 /nfs/dbraw/zinc/42/50/77/981425077.db2.gz UUELXUBRSVXWCY-LBPRGKRZSA-N 0 2 403.360 3.879 20 0 HHADLN CCN(CC)C(=O)Cn1ccc2cc(NC(=O)c3cc(F)c(O)c(F)c3)ccc21 ZINC000436533542 981425084 /nfs/dbraw/zinc/42/50/84/981425084.db2.gz JREQVKBUZJCJIJ-UHFFFAOYSA-N 0 2 401.413 3.746 20 0 HHADLN COCCc1noc(CN(C)C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)n1 ZINC000436584390 981460286 /nfs/dbraw/zinc/46/02/86/981460286.db2.gz MDQHASQMQSFVLS-UHFFFAOYSA-N 0 2 401.850 3.557 20 0 HHADLN CCC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(Br)cc(OC)c2)c1 ZINC000436610170 981473583 /nfs/dbraw/zinc/47/35/83/981473583.db2.gz SMTDBKKMNROXBP-UHFFFAOYSA-N 0 2 414.277 3.557 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1[O-])N1CC[NH+](Cc2ccccc2)CC1 ZINC000436628402 981482603 /nfs/dbraw/zinc/48/26/03/981482603.db2.gz QDUCKIQNTXIBIM-UHFFFAOYSA-N 0 2 409.711 3.766 20 0 HHADLN O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)c1cc(F)c(O)c(F)c1 ZINC000436633735 981484241 /nfs/dbraw/zinc/48/42/41/981484241.db2.gz LYXJQMPRZLQNNL-UHFFFAOYSA-N 0 2 406.392 3.848 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCN(c2ccc(F)cc2)CC1 ZINC000436633881 981484944 /nfs/dbraw/zinc/48/49/44/981484944.db2.gz CWZUTEODFRUWFX-UHFFFAOYSA-N 0 2 413.674 3.910 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N(CCO)Cc1ccc(Br)s1 ZINC000436684708 981511087 /nfs/dbraw/zinc/51/10/87/981511087.db2.gz FDLQJRZLDAMPLV-UHFFFAOYSA-N 0 2 408.676 3.643 20 0 HHADLN C[C@@H](NC(=O)c1cc(F)cc(Br)c1O)[C@H]1OCCc2sccc21 ZINC000436686177 981512349 /nfs/dbraw/zinc/51/23/49/981512349.db2.gz GCJQZHURCWVDKR-ANRSDYALSA-N 0 2 400.269 3.788 20 0 HHADLN O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)c1cc(F)c(O)c(F)c1 ZINC000436702228 981520787 /nfs/dbraw/zinc/52/07/87/981520787.db2.gz CJJNICNYEHYHSY-UHFFFAOYSA-N 0 2 400.353 3.627 20 0 HHADLN O=C(CCCc1ccccc1)N[C@@H]1CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1 ZINC000436710377 981524319 /nfs/dbraw/zinc/52/43/19/981524319.db2.gz SRVDRISRESBKLQ-QGZVFWFLSA-N 0 2 418.896 3.928 20 0 HHADLN CC(C)n1cc2c(n1)C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1O)CC2 ZINC000436715434 981527521 /nfs/dbraw/zinc/52/75/21/981527521.db2.gz LBPBBQTWRRANMX-LBPRGKRZSA-N 0 2 412.715 3.873 20 0 HHADLN O=C(Nc1cc2c(cn1)CCC2)c1cccc(C(=O)Nc2cc3c(cn2)CCC3)c1O ZINC000436727328 981534167 /nfs/dbraw/zinc/53/41/67/981534167.db2.gz YWIWCRZXVYKGQW-UHFFFAOYSA-N 0 2 414.465 3.664 20 0 HHADLN O=c1nc(CN2CCOc3cc(O)ccc3C2)[nH]c2cc(-c3ccc(F)cc3)sc21 ZINC000436729190 981535005 /nfs/dbraw/zinc/53/50/05/981535005.db2.gz QJXQVIJPCZDGBU-UHFFFAOYSA-N 0 2 423.469 3.891 20 0 HHADLN C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2O)CCN1CC(F)(F)F ZINC000436729988 981535473 /nfs/dbraw/zinc/53/54/73/981535473.db2.gz CZOGMATURWQPAX-MRVPVSSYSA-N 0 2 415.637 3.517 20 0 HHADLN Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)ccc1OC(C)C ZINC000436767973 981553605 /nfs/dbraw/zinc/55/36/05/981553605.db2.gz HGWJCGQRKHIEEJ-UHFFFAOYSA-N 0 2 418.515 3.525 20 0 HHADLN CC(C)c1ccoc1-c1noc(-c2cc(S(=O)(=O)N3CCCC3)ccc2O)n1 ZINC000436774810 981556118 /nfs/dbraw/zinc/55/61/18/981556118.db2.gz NSFFRWZPKMWYOY-UHFFFAOYSA-N 0 2 403.460 3.610 20 0 HHADLN O=C(c1ccc(Cl)cc1)N1CCCN(C(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000436775599 981556538 /nfs/dbraw/zinc/55/65/38/981556538.db2.gz QSEDUPJIWHJLDP-UHFFFAOYSA-N 0 2 411.260 3.826 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000436846299 981587219 /nfs/dbraw/zinc/58/72/19/981587219.db2.gz BVWWUDGPZIAMMN-QPJJXVBHSA-N 0 2 419.294 3.765 20 0 HHADLN O=C(NCc1ccnc(N2CCCCC2)c1)c1cc(F)cc(Br)c1O ZINC000436846302 981587268 /nfs/dbraw/zinc/58/72/68/981587268.db2.gz HGORFKZUKYLXOA-UHFFFAOYSA-N 0 2 408.271 3.609 20 0 HHADLN COc1cc2c(cc1OC)CCN(C(=O)c1cc(F)cc(Br)c1O)CC2 ZINC000436849052 981588822 /nfs/dbraw/zinc/58/88/22/981588822.db2.gz QWROKEKDIUIHNG-UHFFFAOYSA-N 0 2 424.266 3.552 20 0 HHADLN CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cc(F)cc(Br)c2O)c1 ZINC000436850069 981589465 /nfs/dbraw/zinc/58/94/65/981589465.db2.gz XXQRZFPUURVBHO-NSHDSACASA-N 0 2 423.282 3.752 20 0 HHADLN COc1ccccc1N1CC[C@H](CNC(=O)c2cc(F)cc(Br)c2O)C1 ZINC000436853250 981592319 /nfs/dbraw/zinc/59/23/19/981592319.db2.gz BKYBQKOZPQOIHD-GFCCVEGCSA-N 0 2 423.282 3.559 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000436859206 981595342 /nfs/dbraw/zinc/59/53/42/981595342.db2.gz RWCHPZNGWPZQIV-OAHLLOKOSA-N 0 2 416.193 3.786 20 0 HHADLN O=C(NC[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc(F)cc(Br)c1O ZINC000436862408 981596145 /nfs/dbraw/zinc/59/61/45/981596145.db2.gz HFGOQJWQXHZBGP-RTHLEPHNSA-N 0 2 414.193 3.507 20 0 HHADLN O=C(NCc1ccccc1-n1cc[nH+]c1)c1cc(Br)cc(Cl)c1[O-] ZINC000436912860 981618367 /nfs/dbraw/zinc/61/83/67/981618367.db2.gz UMPKVJOGXJDZMJ-UHFFFAOYSA-N 0 2 406.667 3.924 20 0 HHADLN COc1ccccc1-c1noc(C2CCN(C(=O)c3cc(F)c(O)c(F)c3)CC2)n1 ZINC000436952374 981642093 /nfs/dbraw/zinc/64/20/93/981642093.db2.gz XBYHJMSMJJDBMA-UHFFFAOYSA-N 0 2 415.396 3.749 20 0 HHADLN Cc1nccc(N2CCN(C(=O)c3cc(-c4ccccc4)cc(Cl)c3O)CC2)n1 ZINC000436953573 981643380 /nfs/dbraw/zinc/64/33/80/981643380.db2.gz QYXHRZHFJGKUQF-UHFFFAOYSA-N 0 2 408.889 3.773 20 0 HHADLN COC(=O)C[C@H](NC(=O)c1cc(F)c(O)c(F)c1)c1ccc(C(F)(F)F)cc1 ZINC000436966771 981653623 /nfs/dbraw/zinc/65/36/23/981653623.db2.gz NLHYUSKXYVYLGI-AWEZNQCLSA-N 0 2 403.303 3.723 20 0 HHADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1nnc(CC(C)C)s1 ZINC000437163303 981813507 /nfs/dbraw/zinc/81/35/07/981813507.db2.gz CXHOHEZPVKPOKC-UHFFFAOYSA-N 0 2 420.354 3.617 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)N1CCSCC1 ZINC000448544749 981873213 /nfs/dbraw/zinc/87/32/13/981873213.db2.gz ZEFGVNIVYGYFGD-UHFFFAOYSA-N 0 2 409.508 3.516 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)c1 ZINC000437328250 981980128 /nfs/dbraw/zinc/98/01/28/981980128.db2.gz XNYLHBOOVDDSMQ-UHFFFAOYSA-N 0 2 400.909 3.653 20 0 HHADLN COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1ncc(C(C)C)s1 ZINC000437334331 981984863 /nfs/dbraw/zinc/98/48/63/981984863.db2.gz VIDZUTYOIJUMBH-UHFFFAOYSA-N 0 2 419.322 3.616 20 0 HHADLN O=S(=O)(Nc1nc(Cc2ccccc2)cs1)c1cnn(-c2ccccc2F)c1 ZINC000437340712 981990842 /nfs/dbraw/zinc/99/08/42/981990842.db2.gz VUIIMQUKCSCYBU-UHFFFAOYSA-N 0 2 414.487 3.860 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc(/C=C\c3ccccc3)cs2)cs1 ZINC000437345866 981996035 /nfs/dbraw/zinc/99/60/35/981996035.db2.gz WWPNSTPAKJRNJY-FPLPWBNLSA-N 0 2 406.510 3.962 20 0 HHADLN CC(C)(C)c1nc2ccc(S(=O)(=O)Nc3nc4c(s3)COCC4)cc2s1 ZINC000437347182 981997137 /nfs/dbraw/zinc/99/71/37/981997137.db2.gz SEAPECVPZNOUKF-UHFFFAOYSA-N 0 2 409.558 3.924 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(Br)c(F)c2)n(Cc2ccccc2)n1 ZINC000437412019 982054002 /nfs/dbraw/zinc/05/40/02/982054002.db2.gz WTHMNIKOVYIFBU-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN CCOc1ccc2nc(NS(=O)(=O)c3ccc(C(=O)OC)c(C)c3)sc2c1 ZINC000437424029 982064193 /nfs/dbraw/zinc/06/41/93/982064193.db2.gz VKULXJRPKFWMHI-UHFFFAOYSA-N 0 2 406.485 3.591 20 0 HHADLN COc1cccc(COc2cccc(NS(=O)(=O)c3cnc4n3CCC4)c2C)c1 ZINC000437677283 982291905 /nfs/dbraw/zinc/29/19/05/982291905.db2.gz CSWHKHJISLQQOS-UHFFFAOYSA-N 0 2 413.499 3.526 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccc3sccc32)cc1)c1ccncc1 ZINC000437948182 982479523 /nfs/dbraw/zinc/47/95/23/982479523.db2.gz QHCOXJRACUGYHG-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)s[nH]1 ZINC000437984043 982506081 /nfs/dbraw/zinc/50/60/81/982506081.db2.gz IKVWWPHWDWXKHV-UHFFFAOYSA-N 0 2 423.848 3.525 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccc(Cl)cc2)cc1 ZINC000460841911 982590186 /nfs/dbraw/zinc/59/01/86/982590186.db2.gz IPRLAXPRJRKGNV-UHFFFAOYSA-N 0 2 418.906 3.618 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)=N1 ZINC000461037751 982739263 /nfs/dbraw/zinc/73/92/63/982739263.db2.gz NKRWCVSNSRJXRJ-QFIPXVFZSA-N 0 2 421.472 3.849 20 0 HHADLN CC(C)[N@@H+]1CCc2nc([N-]S(=O)(=O)c3ccc(C(F)(F)F)s3)sc2C1 ZINC000461109640 982798777 /nfs/dbraw/zinc/79/87/77/982798777.db2.gz DNQLEFJTFLWPEC-UHFFFAOYSA-N 0 2 411.496 3.791 20 0 HHADLN CC(C)[N@H+]1CCc2nc([N-]S(=O)(=O)c3ccc(C(F)(F)F)s3)sc2C1 ZINC000461109640 982798779 /nfs/dbraw/zinc/79/87/79/982798779.db2.gz DNQLEFJTFLWPEC-UHFFFAOYSA-N 0 2 411.496 3.791 20 0 HHADLN O=S(=O)(CCc1ccccc1Br)Nc1ncc(-c2ccccc2)cn1 ZINC000461117786 982812069 /nfs/dbraw/zinc/81/20/69/982812069.db2.gz AKIZVJIXMMXKBS-UHFFFAOYSA-N 0 2 418.316 3.891 20 0 HHADLN Cc1nn(C)c2cc(NS(=O)(=O)c3cc(Br)c(F)cc3F)ccc12 ZINC000461329489 983021109 /nfs/dbraw/zinc/02/11/09/983021109.db2.gz AMFZWWKXDJFIPX-UHFFFAOYSA-N 0 2 416.247 3.723 20 0 HHADLN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1cc(C(=O)CC)ccc1O ZINC000461344299 983029817 /nfs/dbraw/zinc/02/98/17/983029817.db2.gz SYTHMMUKGCTSMG-UHFFFAOYSA-N 0 2 418.515 3.658 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cccc(Br)c2C)cn1 ZINC000438766359 983057183 /nfs/dbraw/zinc/05/71/83/983057183.db2.gz MFXPGZJCOKKEPP-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN CC[C@@H](C)Oc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3OC)c2)cc1 ZINC000438794202 983074770 /nfs/dbraw/zinc/07/47/70/983074770.db2.gz RLDGMCZXNYPZGE-OAHLLOKOSA-N 0 2 401.488 3.859 20 0 HHADLN O=C(Nc1nccc2sccc21)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000461479661 983137181 /nfs/dbraw/zinc/13/71/81/983137181.db2.gz KELDTEYHDFUCFX-UHFFFAOYSA-N 0 2 416.509 3.806 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC(OCc3ccccc3)CC2)=N1 ZINC000438906807 983146925 /nfs/dbraw/zinc/14/69/25/983146925.db2.gz GZDOUCVXDLUOAQ-UHFFFAOYSA-N 0 2 405.498 3.962 20 0 HHADLN CCCCNC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000438942730 983168947 /nfs/dbraw/zinc/16/89/47/983168947.db2.gz RJDNERSBMHHHDT-NSHDSACASA-N 0 2 417.731 3.577 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)C1(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000438947866 983172344 /nfs/dbraw/zinc/17/23/44/983172344.db2.gz ALEJXMMCZXLUCQ-UHFFFAOYSA-N 0 2 420.416 3.882 20 0 HHADLN Cc1cscc1NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 ZINC000439045363 983225723 /nfs/dbraw/zinc/22/57/23/983225723.db2.gz XAIKBLIBCXGRTR-UHFFFAOYSA-N 0 2 401.307 3.505 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCN(C(=O)C4CCCCC4)CC3)=N2)cc1 ZINC000439093515 983246879 /nfs/dbraw/zinc/24/68/79/983246879.db2.gz QUUNPOKNNJPDFK-UHFFFAOYSA-N 0 2 424.545 3.566 20 0 HHADLN CCO[C@H](C)c1noc(CN(C)C(=O)c2cc(Cl)cc(Br)c2O)n1 ZINC000439118918 983258830 /nfs/dbraw/zinc/25/88/30/983258830.db2.gz XXUJSLSLVZUTCD-MRVPVSSYSA-N 0 2 418.675 3.561 20 0 HHADLN O=C(CSCc1ccncc1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439245870 983329302 /nfs/dbraw/zinc/32/93/02/983329302.db2.gz LBDVDDRKSDJQCD-UHFFFAOYSA-N 0 2 422.283 3.640 20 0 HHADLN COc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c(OC)c1 ZINC000439252988 983333169 /nfs/dbraw/zinc/33/31/69/983333169.db2.gz ZNHKNYKODPLFDH-UHFFFAOYSA-N 0 2 421.226 3.643 20 0 HHADLN COC(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2cnc3ccsc3c2)c1 ZINC000439561400 983450761 /nfs/dbraw/zinc/45/07/61/983450761.db2.gz HPJNPQGQALTTBY-UHFFFAOYSA-N 0 2 406.485 3.671 20 0 HHADLN Cn1ccnc1Sc1ccccc1NS(=O)(=O)c1cnc2ccsc2c1 ZINC000439578407 983458459 /nfs/dbraw/zinc/45/84/59/983458459.db2.gz YGTWLNJHNUDBJV-UHFFFAOYSA-N 0 2 402.526 3.982 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2OC(F)F)cc1Cl ZINC000440827925 983926033 /nfs/dbraw/zinc/92/60/33/983926033.db2.gz RRJBQNPPIWMFRZ-UHFFFAOYSA-N 0 2 409.769 3.668 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cc(F)c(F)cc1Br ZINC000440861940 983940432 /nfs/dbraw/zinc/94/04/32/983940432.db2.gz IRTHZFJCEQREQP-UHFFFAOYSA-N 0 2 402.245 3.982 20 0 HHADLN COCc1nc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c(-c2ccccc2)s1 ZINC000441062821 984050851 /nfs/dbraw/zinc/05/08/51/984050851.db2.gz IRWKMNIZUXWPRA-UHFFFAOYSA-N 0 2 409.496 3.544 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)cc1Cl ZINC000441354977 984204278 /nfs/dbraw/zinc/20/42/78/984204278.db2.gz OOXFTYMZVFPCHP-UHFFFAOYSA-N 0 2 422.915 3.975 20 0 HHADLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)s1 ZINC000441358288 984206163 /nfs/dbraw/zinc/20/61/63/984206163.db2.gz SRUZMYLQQFKAJC-UHFFFAOYSA-N 0 2 403.913 3.683 20 0 HHADLN CCc1nc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C)sc1C(=O)OC ZINC000441363060 984208788 /nfs/dbraw/zinc/20/87/88/984208788.db2.gz YERWRTLMCRBBDW-UHFFFAOYSA-N 0 2 408.423 3.620 20 0 HHADLN Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000441837521 984489042 /nfs/dbraw/zinc/48/90/42/984489042.db2.gz NJDUBRXRMOLXRZ-AWEZNQCLSA-N 0 2 415.563 3.522 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N2CCCCC[C@H]2/C=C/c2ccccc2)s[nH]1 ZINC000442056842 984614948 /nfs/dbraw/zinc/61/49/48/984614948.db2.gz MVUJDCPQWHOAMP-CLVCIHKQSA-N 0 2 412.559 3.681 20 0 HHADLN Cc1nc(-c2ccccc2)sc1NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 ZINC000442237758 984758792 /nfs/dbraw/zinc/75/87/92/984758792.db2.gz AVZAGRJWJSSSCH-UHFFFAOYSA-N 0 2 401.513 3.621 20 0 HHADLN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc(N2CC[NH+]=C2[O-])cc1C ZINC000442239930 984761353 /nfs/dbraw/zinc/76/13/53/984761353.db2.gz FDINPWMUNJMUSD-UHFFFAOYSA-N 0 2 413.421 3.653 20 0 HHADLN C[C@@H](C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1)c1cccc(Br)c1 ZINC000461791362 984780837 /nfs/dbraw/zinc/78/08/37/984780837.db2.gz NPFRMZIZSCDITH-SNVBAGLBSA-N 0 2 406.305 3.922 20 0 HHADLN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)cc1 ZINC000442613585 985092057 /nfs/dbraw/zinc/09/20/57/985092057.db2.gz FJIBCFLWCQQOPF-UHFFFAOYSA-N 0 2 415.446 3.516 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2ccc(Br)o2)o1)c1ccccc1 ZINC000442615627 985093776 /nfs/dbraw/zinc/09/37/76/985093776.db2.gz KJSGOAZMSIUTEM-NSHDSACASA-N 0 2 412.265 3.768 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2c3ccccc3C[C@H]2C)c(F)c1Cl ZINC000462137317 985107826 /nfs/dbraw/zinc/10/78/26/985107826.db2.gz ITWZCCDVQWDNOE-VVVCHXIZSA-N 0 2 414.861 3.788 20 0 HHADLN O=S(=O)(Nc1ccnc(Sc2ccccn2)c1)c1cnccc1C(F)(F)F ZINC000442813283 985224654 /nfs/dbraw/zinc/22/46/54/985224654.db2.gz GNMRWGQCIPFDGR-UHFFFAOYSA-N 0 2 412.418 3.842 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)c(F)c2)c(OC)c1 ZINC000442822069 985229021 /nfs/dbraw/zinc/22/90/21/985229021.db2.gz WJGGNNQOEPRYEM-UHFFFAOYSA-N 0 2 423.462 3.743 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000443147516 985407356 /nfs/dbraw/zinc/40/73/56/985407356.db2.gz PNNJKYVOFHHMTN-UHFFFAOYSA-N 0 2 421.544 3.828 20 0 HHADLN O=S(=O)(N[C@]1(C(F)(F)F)CCc2ccccc21)c1cnccc1C(F)(F)F ZINC000443150161 985409066 /nfs/dbraw/zinc/40/90/66/985409066.db2.gz ZRJLOXTVMVQQAM-CQSZACIVSA-N 0 2 410.339 3.783 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cccc2c1C[N@H+](CC(C)C)C2 ZINC000443152516 985411559 /nfs/dbraw/zinc/41/15/59/985411559.db2.gz BCRJTUAEHMDZFL-UHFFFAOYSA-N 0 2 408.545 3.616 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)[N-]c1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000443152516 985411569 /nfs/dbraw/zinc/41/15/69/985411569.db2.gz BCRJTUAEHMDZFL-UHFFFAOYSA-N 0 2 408.545 3.616 20 0 HHADLN CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000462491052 985445136 /nfs/dbraw/zinc/44/51/36/985445136.db2.gz QCYZSXLRRWQBRA-FQEVSTJZSA-N 0 2 414.893 3.757 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCc3cc(F)ccc32)c(F)c1Cl ZINC000462502013 985454027 /nfs/dbraw/zinc/45/40/27/985454027.db2.gz GHAKYOOBXVAPGU-CYBMUJFWSA-N 0 2 418.824 3.682 20 0 HHADLN O=S(=O)(Nc1ccc(OCC2CCCCC2)cc1)c1cnn([C@H]2CCOC2)c1 ZINC000443479691 985653988 /nfs/dbraw/zinc/65/39/88/985653988.db2.gz YKOFBAPIAURXDO-SFHVURJKSA-N 0 2 405.520 3.604 20 0 HHADLN Cc1noc2ncc(S(=O)(=O)Nc3ccc(F)cc3OCCC(F)(F)F)cc12 ZINC000443530769 985702834 /nfs/dbraw/zinc/70/28/34/985702834.db2.gz ORGBKYUNPQSTPH-UHFFFAOYSA-N 0 2 419.356 3.802 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2N[C@@H](C)c2ccccc2)cn1 ZINC000443536400 985706964 /nfs/dbraw/zinc/70/69/64/985706964.db2.gz ZQTHQEYJPZFNNR-HNNXBMFYSA-N 0 2 411.483 3.842 20 0 HHADLN CCO[C@@H](CC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1=CCCC1 ZINC000443588838 985764281 /nfs/dbraw/zinc/76/42/81/985764281.db2.gz JHJVXTBWKKIBGD-KRWDZBQOSA-N 0 2 421.544 3.788 20 0 HHADLN CC(C)c1nc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cs1 ZINC000443590015 985766219 /nfs/dbraw/zinc/76/62/19/985766219.db2.gz HYMROSGYYNWYFE-UHFFFAOYSA-N 0 2 408.530 3.776 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@H]1CSc2ccccc21 ZINC000443591813 985766972 /nfs/dbraw/zinc/76/69/72/985766972.db2.gz MDVANOJDGVHLFT-OAHLLOKOSA-N 0 2 417.537 3.772 20 0 HHADLN CCn1c(C)cc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1C ZINC000443593874 985769563 /nfs/dbraw/zinc/76/95/63/985769563.db2.gz VRUUNBXZIZPVJA-UHFFFAOYSA-N 0 2 404.517 3.634 20 0 HHADLN CC[C@H](C)c1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)on1 ZINC000443596026 985772162 /nfs/dbraw/zinc/77/21/62/985772162.db2.gz XJWVYSIKUFFSBJ-NSHDSACASA-N 0 2 406.489 3.698 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1c(C)[nH]nc1C(F)F ZINC000468345937 986043036 /nfs/dbraw/zinc/04/30/36/986043036.db2.gz LZKMNIUUGVSZFB-MRVPVSSYSA-N 0 2 409.842 3.524 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000468355546 986052239 /nfs/dbraw/zinc/05/22/39/986052239.db2.gz HIWBNVKANHPJCC-SECBINFHSA-N 0 2 409.813 3.972 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(C)n[nH]c2c1 ZINC000468362494 986059814 /nfs/dbraw/zinc/05/98/14/986059814.db2.gz AJMCVZKPOZTDFE-LLVKDONJSA-N 0 2 409.895 3.739 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000468362494 986059827 /nfs/dbraw/zinc/05/98/27/986059827.db2.gz AJMCVZKPOZTDFE-LLVKDONJSA-N 0 2 409.895 3.739 20 0 HHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 ZINC000463116820 986081555 /nfs/dbraw/zinc/08/15/55/986081555.db2.gz SEJVXWDIYDMDKA-MRVPVSSYSA-N 0 2 401.196 3.969 20 0 HHADLN CCC1(CC)Oc2ccc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)cc2O1 ZINC000468386820 986087378 /nfs/dbraw/zinc/08/73/78/986087378.db2.gz ZZZNLEVMXJCXTR-UHFFFAOYSA-N 0 2 405.398 3.534 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000463160196 986131423 /nfs/dbraw/zinc/13/14/23/986131423.db2.gz DFOPHVWSGIYKQF-LLVKDONJSA-N 0 2 420.231 3.982 20 0 HHADLN CC(=O)NCc1ccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cc1 ZINC000463161938 986134235 /nfs/dbraw/zinc/13/42/35/986134235.db2.gz OHMKPHKEPCTULF-UHFFFAOYSA-N 0 2 404.257 3.667 20 0 HHADLN CN(C)C(=O)c1ccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cc1 ZINC000463163529 986135223 /nfs/dbraw/zinc/13/52/23/986135223.db2.gz RVQGDRSUBKFRBS-UHFFFAOYSA-N 0 2 404.257 3.733 20 0 HHADLN COc1cccc(OC)c1CC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463167015 986138654 /nfs/dbraw/zinc/13/86/54/986138654.db2.gz SDMWKSTUQCDLQG-UHFFFAOYSA-N 0 2 407.257 3.977 20 0 HHADLN CC(C)C[C@H]1C[C@H](C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)CC(=O)N1 ZINC000463170687 986142488 /nfs/dbraw/zinc/14/24/88/986142488.db2.gz LFJUIYGPZALSHY-JQWIXIFHSA-N 0 2 410.305 3.658 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cccc3ncccc32)c(OC)cc1Br ZINC000444048259 986246149 /nfs/dbraw/zinc/24/61/49/986246149.db2.gz IEKJJANNBBSODO-UHFFFAOYSA-N 0 2 423.288 3.815 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)cc1OC ZINC000468547005 986253623 /nfs/dbraw/zinc/25/36/23/986253623.db2.gz HBSAREKILQUXSZ-LLVKDONJSA-N 0 2 403.859 3.702 20 0 HHADLN Cc1occc1-c1nnc(NS(=O)(=O)c2cc(Br)ccc2Cl)o1 ZINC000444059047 986260970 /nfs/dbraw/zinc/26/09/70/986260970.db2.gz LAOGEMIPBUQTTA-UHFFFAOYSA-N 0 2 418.656 3.855 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3ccc(OCC(F)(F)F)cc3)o2)c(C)o1 ZINC000444066870 986270126 /nfs/dbraw/zinc/27/01/26/986270126.db2.gz VLIJSOVOMIEEFU-UHFFFAOYSA-N 0 2 417.365 3.688 20 0 HHADLN COc1ccc(CN(C)C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)c(OC)c1 ZINC000468612267 986327039 /nfs/dbraw/zinc/32/70/39/986327039.db2.gz XVKBDWZDMIRJEZ-UHFFFAOYSA-N 0 2 409.486 3.991 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N(C)[C@@H]3CCN(c4ccccc4)C3=O)=N2)cc1 ZINC000468612632 986327307 /nfs/dbraw/zinc/32/73/07/986327307.db2.gz ZRKGBFDYUQYJAS-HXUWFJFHSA-N 0 2 418.497 3.579 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3cc(C)c(Br)s3)o2)c(C)o1 ZINC000463384717 986351745 /nfs/dbraw/zinc/35/17/45/986351745.db2.gz MRERHNFCLFELAP-UHFFFAOYSA-N 0 2 418.294 3.880 20 0 HHADLN COc1ccc(-c2nsc(NS(=O)(=O)c3cccc(C)c3Cl)n2)cc1F ZINC000444196840 986374913 /nfs/dbraw/zinc/37/49/13/986374913.db2.gz NCLVJAMDQXNFAQ-UHFFFAOYSA-N 0 2 413.883 3.537 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C)CCCc2nc3ccccc3[nH]2)=N1 ZINC000468693159 986406235 /nfs/dbraw/zinc/40/62/35/986406235.db2.gz IVRCHFQUTZNNAY-UHFFFAOYSA-N 0 2 407.449 3.607 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC(OC3CCCCC3)CC2)=N1 ZINC000468703733 986416859 /nfs/dbraw/zinc/41/68/59/986416859.db2.gz MBNNDJPQEIHVET-UHFFFAOYSA-N 0 2 401.482 3.979 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[C@@H](COCc3ccccc3)C2)=N1 ZINC000468748636 986461951 /nfs/dbraw/zinc/46/19/51/986461951.db2.gz UFKLLIFLSKKPBI-GOSISDBHSA-N 0 2 409.461 3.704 20 0 HHADLN COC(=O)[C@@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccsc1 ZINC000469007914 986713168 /nfs/dbraw/zinc/71/31/68/986713168.db2.gz RPVZGGOJYZMNRS-NSHDSACASA-N 0 2 414.719 3.901 20 0 HHADLN COc1cc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)cc(OC)c1OC(F)F ZINC000463749105 986738334 /nfs/dbraw/zinc/73/83/34/986738334.db2.gz ZKTVEKOIEUEHAE-UHFFFAOYSA-N 0 2 413.427 3.559 20 0 HHADLN CCc1nc(NS(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)sc1C ZINC000469032520 986742275 /nfs/dbraw/zinc/74/22/75/986742275.db2.gz QBWQSELXGFWNPN-JTQLQIEISA-N 0 2 404.941 3.882 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cccc(-c4noc(C5CC5)n4)c3)s[nH]2)c1 ZINC000463759393 986749486 /nfs/dbraw/zinc/74/94/86/986749486.db2.gz IWPLQNRCSRXGGI-UHFFFAOYSA-N 0 2 419.466 3.815 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(=O)OC)c2ncccc12 ZINC000463782287 986772408 /nfs/dbraw/zinc/77/24/08/986772408.db2.gz MCIUVAHDZRFVEQ-UHFFFAOYSA-N 0 2 420.874 3.874 20 0 HHADLN Cc1n[nH]cc1S(=O)(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1C ZINC000463784239 986774121 /nfs/dbraw/zinc/77/41/21/986774121.db2.gz FDHIZZHBFSLCHS-UHFFFAOYSA-N 0 2 404.879 3.733 20 0 HHADLN COc1cc(S(=O)(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)ccc1F ZINC000469079822 986792916 /nfs/dbraw/zinc/79/29/16/986792916.db2.gz VCOIZECSTZYERF-UHFFFAOYSA-N 0 2 417.846 3.946 20 0 HHADLN CC(C)c1ccccc1S(=O)(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000469127686 986847129 /nfs/dbraw/zinc/84/71/29/986847129.db2.gz QDYCIGALOBEMMU-HUUCEWRRSA-N 0 2 409.577 3.677 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC(OCC3CCCC3)CC2)=N1 ZINC000469149904 986872512 /nfs/dbraw/zinc/87/25/12/986872512.db2.gz YMLRHTZTBIHJGU-UHFFFAOYSA-N 0 2 401.482 3.837 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2c(c1)CCCC2 ZINC000469197100 986921579 /nfs/dbraw/zinc/92/15/79/986921579.db2.gz MDPYGPMHQHOVAI-CYBMUJFWSA-N 0 2 410.923 3.828 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2c(c1)CCCC2 ZINC000469197472 986922428 /nfs/dbraw/zinc/92/24/28/986922428.db2.gz MDPYGPMHQHOVAI-ZDUSSCGKSA-N 0 2 410.923 3.828 20 0 HHADLN CCOc1cc(Cl)ccc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000469204604 986928403 /nfs/dbraw/zinc/92/84/03/986928403.db2.gz NILZUVIXJMFLLV-UHFFFAOYSA-N 0 2 403.243 3.627 20 0 HHADLN CC[C@@H](C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)N1CCCC1=O ZINC000469531471 987206493 /nfs/dbraw/zinc/20/64/93/987206493.db2.gz RKLMSRRLWJASCW-SFHVURJKSA-N 0 2 422.510 3.759 20 0 HHADLN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000445122580 987224263 /nfs/dbraw/zinc/22/42/63/987224263.db2.gz XKLXUGXDLIYZSY-UHFFFAOYSA-N 0 2 404.927 3.965 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C[C@H]3CCC[C@H]3C)cc2)nc(C)n1 ZINC000469838268 987473606 /nfs/dbraw/zinc/47/36/06/987473606.db2.gz JWKOVEVESSFMNB-CZUORRHYSA-N 0 2 402.520 3.659 20 0 HHADLN CSc1ccc(S(=O)(=O)Nc2cc(C(C)C)nn2-c2ncccn2)cc1Cl ZINC000464409543 988578186 /nfs/dbraw/zinc/57/81/86/988578186.db2.gz KVKCXKRLHKTHLL-UHFFFAOYSA-N 0 2 423.951 3.962 20 0 HHADLN O=S(=O)(Nc1ccc(Cc2nnc3n2CCCCC3)cc1)c1ccccc1F ZINC000464429797 988601330 /nfs/dbraw/zinc/60/13/30/988601330.db2.gz PRPYKRMWKILBDY-UHFFFAOYSA-N 0 2 400.479 3.535 20 0 HHADLN O=C(COc1ccccc1NS(=O)(=O)c1ccccc1Cl)Nc1cccnc1 ZINC000464523299 988700439 /nfs/dbraw/zinc/70/04/39/988700439.db2.gz LKWGYKVCNSAKOQ-UHFFFAOYSA-N 0 2 417.874 3.553 20 0 HHADLN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1cccc2c1OCCC2 ZINC000464536329 988715210 /nfs/dbraw/zinc/71/52/10/988715210.db2.gz BLOOGDJCTAZNFD-UHFFFAOYSA-N 0 2 402.516 3.685 20 0 HHADLN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000470728922 988759538 /nfs/dbraw/zinc/75/95/38/988759538.db2.gz YLBSNDXAVYZKGR-UHFFFAOYSA-N 0 2 405.376 3.748 20 0 HHADLN CC[C@H]1Oc2cc([C@@H](C)NC(=O)N=c3nc(-c4ccccc4)[nH]s3)ccc2NC1=O ZINC000465061654 989386267 /nfs/dbraw/zinc/38/62/67/989386267.db2.gz RALRFRZBNUWAQV-MLGOLLRUSA-N 0 2 423.498 3.619 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)c1cc[nH]c(=O)c1 ZINC000471463697 989653529 /nfs/dbraw/zinc/65/35/29/989653529.db2.gz AEMPTBQCEVRHEH-UHFFFAOYSA-N 0 2 421.837 3.633 20 0 HHADLN Cc1cc(S(=O)(=O)[N-]c2ccccc2OCCn2cc[nH+]c2)c(Cl)cc1F ZINC000471501444 989698878 /nfs/dbraw/zinc/69/88/78/989698878.db2.gz UAADMPYSCVLCOJ-UHFFFAOYSA-N 0 2 409.870 3.864 20 0 HHADLN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)c1 ZINC000471504924 989703357 /nfs/dbraw/zinc/70/33/57/989703357.db2.gz AFKYGSSMVGEKRE-UHFFFAOYSA-N 0 2 416.933 3.544 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2nnc(Cc3ccc(C)cc3)s2)c1 ZINC000471513498 989712174 /nfs/dbraw/zinc/71/21/74/989712174.db2.gz VVLRGWDVRNWDKR-UHFFFAOYSA-N 0 2 409.920 3.900 20 0 HHADLN O=c1[nH]c2cc(NS(=O)(=O)c3cc(Cl)c(Br)cc3F)ccc2o1 ZINC000471609386 989813718 /nfs/dbraw/zinc/81/37/18/989813718.db2.gz JDJNQMOKJALMFK-UHFFFAOYSA-N 0 2 421.631 3.889 20 0 HHADLN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)c(C)c1 ZINC000471910629 990078559 /nfs/dbraw/zinc/07/85/59/990078559.db2.gz LOWWYFKFCRUWBX-CYBMUJFWSA-N 0 2 403.479 3.945 20 0 HHADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)n1 ZINC000471910981 990079121 /nfs/dbraw/zinc/07/91/21/990079121.db2.gz KRNJGTADPPZLMO-UHFFFAOYSA-N 0 2 421.447 3.696 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)c(OC[C@@H]2CCCO2)c1 ZINC000471912634 990080831 /nfs/dbraw/zinc/08/08/31/990080831.db2.gz ACPSDJHUZYTETA-AWEZNQCLSA-N 0 2 404.463 3.974 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ccc(-c2nc3cc(F)ccc3n2C)cc1C ZINC000471922568 990089160 /nfs/dbraw/zinc/08/91/60/990089160.db2.gz VJPHTVMISQDNIM-UHFFFAOYSA-N 0 2 413.478 3.705 20 0 HHADLN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2nc3c(ccc(F)c3F)s2)c1 ZINC000471922793 990089302 /nfs/dbraw/zinc/08/93/02/990089302.db2.gz ZPXSXMHKJDSAGE-UHFFFAOYSA-N 0 2 416.402 3.609 20 0 HHADLN CC(C)n1nc2c(c1NS(=O)(=O)c1cc(F)c(Br)cc1F)CCC2 ZINC000471936689 990101566 /nfs/dbraw/zinc/10/15/66/990101566.db2.gz KVPDJCJQEOVLPO-UHFFFAOYSA-N 0 2 420.279 3.794 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ccnn1[C@H](C)c1cc(Cl)ccc1Cl ZINC000471942685 990107053 /nfs/dbraw/zinc/10/70/53/990107053.db2.gz OIHULXIWTFEFRW-LLVKDONJSA-N 0 2 414.318 3.816 20 0 HHADLN COc1cc(S(=O)(=O)Nc2c3c(nn2C(C)C)CCC3)ccc1Br ZINC000471946914 990111286 /nfs/dbraw/zinc/11/12/86/990111286.db2.gz PBJULOPLHWDXNU-UHFFFAOYSA-N 0 2 414.325 3.525 20 0 HHADLN Cc1cc(C(=O)N2CCCC2)ccc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000471949005 990112977 /nfs/dbraw/zinc/11/29/77/990112977.db2.gz PXNWNSGVERYROQ-UHFFFAOYSA-N 0 2 401.463 3.652 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1cccc(OCc2cccc(OC)c2)c1C ZINC000471975801 990141913 /nfs/dbraw/zinc/14/19/13/990141913.db2.gz CMMCSLHAYHKQKO-UHFFFAOYSA-N 0 2 401.488 3.600 20 0 HHADLN Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000465879573 990997996 /nfs/dbraw/zinc/99/79/96/990997996.db2.gz UNDLLBHCDAEKNA-NRFANRHFSA-N 0 2 417.985 3.979 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000466351303 991614818 /nfs/dbraw/zinc/61/48/18/991614818.db2.gz BEMCOUBIIGKMQD-UHFFFAOYSA-N 0 2 416.430 3.946 20 0 HHADLN COc1ccc2nc(NS(=O)(=O)c3ccc(-n4cc(C)cn4)c(F)c3)sc2c1 ZINC000466376299 991657583 /nfs/dbraw/zinc/65/75/83/991657583.db2.gz GMTCRVOGZJKYHV-UHFFFAOYSA-N 0 2 418.475 3.739 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc2cc(Cl)ccc2s1 ZINC000466381780 991667282 /nfs/dbraw/zinc/66/72/82/991667282.db2.gz UHHCAJVQMRNDDH-UHFFFAOYSA-N 0 2 400.840 3.676 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccccc2Br)cnn1-c1ccccc1 ZINC000466471251 991762470 /nfs/dbraw/zinc/76/24/70/991762470.db2.gz CXVDMHVSXNXWDY-UHFFFAOYSA-N 0 2 406.305 3.998 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cnn1-c1ccccc1 ZINC000466477987 991769659 /nfs/dbraw/zinc/76/96/59/991769659.db2.gz VFHHJCGUBXAWAT-HNNXBMFYSA-N 0 2 424.526 3.533 20 0 HHADLN CCc1c(NS(=O)(=O)c2cccc(Br)c2)cnn1-c1ccccc1 ZINC000466479649 991771396 /nfs/dbraw/zinc/77/13/96/991771396.db2.gz ZPBMHRDVMJNPNU-UHFFFAOYSA-N 0 2 406.305 3.998 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cccnc2-c2cnn(C)c2)c(Cl)c1Cl ZINC000466841871 992153216 /nfs/dbraw/zinc/15/32/16/992153216.db2.gz ADOGQFXLRCDACR-UHFFFAOYSA-N 0 2 413.286 3.598 20 0 HHADLN COCc1nc(C)cc(Oc2ccc(NS(=O)(=O)c3ccc(C)s3)cc2)n1 ZINC000466933380 992245091 /nfs/dbraw/zinc/24/50/91/992245091.db2.gz QLTQCCVTASAWMH-UHFFFAOYSA-N 0 2 405.501 3.894 20 0 HHADLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3ccc4c(c3)oc(=O)n4CC)sc2C1 ZINC000467013792 992321358 /nfs/dbraw/zinc/32/13/58/992321358.db2.gz LXXZPBDAMOWAEE-LBPRGKRZSA-N 0 2 421.544 3.777 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2cnn(C(F)F)c2)cc1 ZINC000467438185 992735249 /nfs/dbraw/zinc/73/52/49/992735249.db2.gz ZDWINDUBNHZJOW-UHFFFAOYSA-N 0 2 412.443 3.701 20 0 HHADLN Cc1sc2nc([C@@H](C)N(C)Cc3nc(=O)c4sccc4[nH]3)nc(N)c2c1C ZINC000467477146 992768445 /nfs/dbraw/zinc/76/84/45/992768445.db2.gz WJAQUZALICDPHY-SECBINFHSA-N 0 2 400.533 3.794 20 0 HHADLN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)C1 ZINC000467755923 993000932 /nfs/dbraw/zinc/00/09/32/993000932.db2.gz TTWKIBYHKQWIGY-ZSGPHXLJSA-N 0 2 403.910 3.633 20 0 HHADLN COc1ccccc1[C@H](CNC(=O)N=c1nc(-c2ccccc2)[nH]s1)OC(C)C ZINC000472124450 993177043 /nfs/dbraw/zinc/17/70/43/993177043.db2.gz PJMNWIIFBLMJLR-SFHVURJKSA-N 0 2 412.515 3.923 20 0 HHADLN Cc1csc(NC2CCN(C(=O)N=c3nc(-c4ccccc4)[nH]s3)CC2)n1 ZINC000472165556 993213345 /nfs/dbraw/zinc/21/33/45/993213345.db2.gz PSBJIOGGALXQOE-UHFFFAOYSA-N 0 2 400.533 3.500 20 0 HHADLN Cc1nc2c(cccc2C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)o1 ZINC000472268310 993290805 /nfs/dbraw/zinc/29/08/05/993290805.db2.gz GNUSUQFEHQFZGX-UHFFFAOYSA-N 0 2 414.468 3.646 20 0 HHADLN C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000472548908 993527868 /nfs/dbraw/zinc/52/78/68/993527868.db2.gz QLAXAGNYLQOTOC-INIZCTEOSA-N 0 2 402.454 3.621 20 0 HHADLN COC(=O)c1cc(NC(=O)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(C)cc1C ZINC000472884915 993811006 /nfs/dbraw/zinc/81/10/06/993811006.db2.gz WMWATTLYYKKWND-UHFFFAOYSA-N 0 2 411.241 3.680 20 0 HHADLN O=S(=O)(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1cc(F)ccc1Cl ZINC000481018744 993861844 /nfs/dbraw/zinc/86/18/44/993861844.db2.gz GOEWINQERADDOK-UHFFFAOYSA-N 0 2 401.250 3.573 20 0 HHADLN Cc1ccc(-c2noc([C@@H](C)NC(=O)C3=NN(c4ccccc4)CC3=O)n2)cc1F ZINC000473076726 993994175 /nfs/dbraw/zinc/99/41/75/993994175.db2.gz SWDSTQJRLTWOQL-CYBMUJFWSA-N 0 2 407.405 3.566 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)NCC2(Cc3ccccc3)CCCCC2)s[nH]1 ZINC000473317359 994179173 /nfs/dbraw/zinc/17/91/73/994179173.db2.gz GYWWEINWPZYPAS-UHFFFAOYSA-N 0 2 414.575 3.505 20 0 HHADLN CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000473400802 994256040 /nfs/dbraw/zinc/25/60/40/994256040.db2.gz HALBXHWJVWICRZ-UHFFFAOYSA-N 0 2 413.499 3.775 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(Br)c(F)cc1C ZINC000473423095 994275185 /nfs/dbraw/zinc/27/51/85/994275185.db2.gz TYEDPDMTKSATKD-UHFFFAOYSA-N 0 2 420.256 3.694 20 0 HHADLN CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2cnn(CC(C)C)c2C(C)C)c1 ZINC000473485953 994329946 /nfs/dbraw/zinc/32/99/46/994329946.db2.gz CDIYCWAHCOIODY-UHFFFAOYSA-N 0 2 407.536 3.948 20 0 HHADLN Cc1cc(N2CCCC2)ccc1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473499451 994346815 /nfs/dbraw/zinc/34/68/15/994346815.db2.gz TZDRJXYKRQKWIA-UHFFFAOYSA-N 0 2 406.490 3.614 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](c3ccc(C)cc3)c3ccccn3)=N2)cc1 ZINC000473602577 994483827 /nfs/dbraw/zinc/48/38/27/994483827.db2.gz YFSACUYJRYQHQN-QFIPXVFZSA-N 0 2 414.465 3.809 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(F)c(Br)c1 ZINC000473713351 994605307 /nfs/dbraw/zinc/60/53/07/994605307.db2.gz XCMLVCFXUKBYBA-UHFFFAOYSA-N 0 2 420.242 3.607 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)c(Br)c1 ZINC000481819666 994670887 /nfs/dbraw/zinc/67/08/87/994670887.db2.gz ASENCBWPRUGRMP-UHFFFAOYSA-N 0 2 403.323 3.594 20 0 HHADLN Cc1cc2c(cc1S(=O)(=O)Nc1nnc(Cc3cccc4ccccc43)o1)OCO2 ZINC000481847890 994703602 /nfs/dbraw/zinc/70/36/02/994703602.db2.gz MCWSZAYXMKATFU-UHFFFAOYSA-N 0 2 423.450 3.652 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3cccs3)o2)c(C)cc1Br ZINC000481849605 994705844 /nfs/dbraw/zinc/70/58/44/994705844.db2.gz XCUBMZCGDDIYNA-UHFFFAOYSA-N 0 2 414.306 3.978 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccs2)o1)c1cc(F)ccc1Br ZINC000481850344 994706631 /nfs/dbraw/zinc/70/66/31/994706631.db2.gz WGTAYGRHQWQURD-UHFFFAOYSA-N 0 2 404.242 3.501 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nnc(-c3cc(F)ccc3C)s2)ccc1C ZINC000481854641 994711166 /nfs/dbraw/zinc/71/11/66/994711166.db2.gz JYNXMBOHUJVRQN-UHFFFAOYSA-N 0 2 421.475 3.548 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2)o1)c1ccc(C(F)(F)F)c(F)c1 ZINC000481860435 994719264 /nfs/dbraw/zinc/71/92/64/994719264.db2.gz BSECADUDPXRRMI-UHFFFAOYSA-N 0 2 401.341 3.619 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccs2)o1)c1ccc(F)cc1Br ZINC000481860715 994719386 /nfs/dbraw/zinc/71/93/86/994719386.db2.gz RDYAXAVURYXSDX-UHFFFAOYSA-N 0 2 404.242 3.501 20 0 HHADLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2ccc3c(c2)CCCO3)s1 ZINC000481860592 994719503 /nfs/dbraw/zinc/71/95/03/994719503.db2.gz ZSWCTIYWYJQZJJ-UHFFFAOYSA-N 0 2 405.476 3.778 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nccc(-c3ccccc3)n2)c(Br)c1 ZINC000481861392 994720419 /nfs/dbraw/zinc/72/04/19/994720419.db2.gz JADBJZMFCBQGFJ-UHFFFAOYSA-N 0 2 420.288 3.716 20 0 HHADLN CC(C)n1cc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cn1 ZINC000481864676 994725183 /nfs/dbraw/zinc/72/51/83/994725183.db2.gz UCOUQLPUUHSMHQ-UHFFFAOYSA-N 0 2 401.876 3.576 20 0 HHADLN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cn2)C[C@H](C)O1 ZINC000481866379 994727023 /nfs/dbraw/zinc/72/70/23/994727023.db2.gz XQZDYEQAXJAHSN-AOOOYVTPSA-N 0 2 422.359 3.864 20 0 HHADLN Cc1cc(Br)cc(S(=O)(=O)Nc2nnc(Cc3ccccc3)o2)c1 ZINC000481871370 994734305 /nfs/dbraw/zinc/73/43/05/994734305.db2.gz RSLOSKHNSGYDGV-UHFFFAOYSA-N 0 2 408.277 3.532 20 0 HHADLN Cc1ccsc1-c1nc(=NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)s[n-]1 ZINC000473825051 994754329 /nfs/dbraw/zinc/75/43/29/994754329.db2.gz BTWGJOCRBGUONE-UHFFFAOYSA-N 0 2 416.576 3.918 20 0 HHADLN Cc1nc(NS(=O)(=O)c2scc(Br)c2Br)oc1C ZINC000481962637 994850022 /nfs/dbraw/zinc/85/00/22/994850022.db2.gz KKECBWWGFJWBEY-UHFFFAOYSA-N 0 2 416.116 3.679 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)oc1C ZINC000481964650 994853703 /nfs/dbraw/zinc/85/37/03/994853703.db2.gz PIHJEKGWXBGZKW-UHFFFAOYSA-N 0 2 415.187 3.753 20 0 HHADLN C[C@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1cccc(C(F)(F)F)c1 ZINC000473903503 994863872 /nfs/dbraw/zinc/86/38/72/994863872.db2.gz WHXCGRUVEWWZJQ-ZDUSSCGKSA-N 0 2 419.407 3.963 20 0 HHADLN O=C(NCc1ccc(-c2ccccc2)o1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473909016 994872180 /nfs/dbraw/zinc/87/21/80/994872180.db2.gz HCCKHQJBRRFDLT-UHFFFAOYSA-N 0 2 403.442 3.643 20 0 HHADLN O=C(Nc1ccc2nn[nH]c2c1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000473939638 994913692 /nfs/dbraw/zinc/91/36/92/994913692.db2.gz JCPKIYOKDFSXBN-UHFFFAOYSA-N 0 2 424.814 3.880 20 0 HHADLN C[C@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1nc(C(C)(C)C)cs1 ZINC000473942410 994917308 /nfs/dbraw/zinc/91/73/08/994917308.db2.gz FEBCTPJPKPGLPX-ZDUSSCGKSA-N 0 2 414.535 3.698 20 0 HHADLN CC(C)(CNC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1cccc(Cl)c1 ZINC000473943928 994919351 /nfs/dbraw/zinc/91/93/51/994919351.db2.gz YUWCPETYHIMWPP-UHFFFAOYSA-N 0 2 413.909 3.814 20 0 HHADLN Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCc2nnc(COc3ccccc3)[nH]2)o1 ZINC000474079017 995063641 /nfs/dbraw/zinc/06/36/41/995063641.db2.gz CNMUXLCMOCPVFE-MAUKXSAKSA-N 0 2 409.490 3.968 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000474079182 995064142 /nfs/dbraw/zinc/06/41/42/995064142.db2.gz CWTMIYNCHGXCTK-INIZCTEOSA-N 0 2 411.893 3.736 20 0 HHADLN CC[C@@H](Cc1ccccc1)N(CC)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474087994 995070649 /nfs/dbraw/zinc/07/06/49/995070649.db2.gz MJTPPTRDSRTXJA-IBGZPJMESA-N 0 2 407.518 3.937 20 0 HHADLN CCN(Cc1ccc(Cl)s1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474088528 995071671 /nfs/dbraw/zinc/07/16/71/995071671.db2.gz IXZXWKQLHMPEQA-UHFFFAOYSA-N 0 2 405.911 3.830 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)[C@@H]1CCSC1 ZINC000474159464 995143601 /nfs/dbraw/zinc/14/36/01/995143601.db2.gz ITBKGAHQFGVSJN-LLVKDONJSA-N 0 2 414.911 3.972 20 0 HHADLN C[C@H](C(=O)Nc1cccc(NC(=O)CCc2nc(C3CCCC3)no2)c1)n1cccn1 ZINC000474166426 995153814 /nfs/dbraw/zinc/15/38/14/995153814.db2.gz AORFCFMNTSMPKV-OAHLLOKOSA-N 0 2 422.489 3.695 20 0 HHADLN O=S(=O)(Nc1ccc2nn[nH]c2c1)c1ccc(OCC(F)F)c2ccccc21 ZINC000474417834 995382477 /nfs/dbraw/zinc/38/24/77/995382477.db2.gz YQOIGXRVULBYNM-UHFFFAOYSA-N 0 2 404.398 3.556 20 0 HHADLN CC(C)CCOc1ccc(S(=O)(=O)Nc2nnc(-c3ccccn3)s2)cc1 ZINC000474432986 995395718 /nfs/dbraw/zinc/39/57/18/995395718.db2.gz SKUQXCDXORXWNZ-UHFFFAOYSA-N 0 2 404.517 3.826 20 0 HHADLN COCc1nc(S(=O)(=O)Cc2ccc(Oc3ccc(Cl)cc3C)cc2)n[nH]1 ZINC000474455316 995417750 /nfs/dbraw/zinc/41/77/50/995417750.db2.gz SGHOPOHKIUIMEF-UHFFFAOYSA-N 0 2 407.879 3.679 20 0 HHADLN C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474571340 995532902 /nfs/dbraw/zinc/53/29/02/995532902.db2.gz AZDPHCKJPZYRGB-CQSZACIVSA-N 0 2 412.877 3.562 20 0 HHADLN Cc1ccc(C(C)C)c(OCCC(=O)NCc2nnc(COc3ccccc3)[nH]2)c1 ZINC000474574507 995536135 /nfs/dbraw/zinc/53/61/35/995536135.db2.gz IUVNMEUWUCHITL-UHFFFAOYSA-N 0 2 408.502 3.901 20 0 HHADLN Cc1csc(-c2cccc(C(=O)NCc3nnc(COc4ccccc4)[nH]3)c2)n1 ZINC000474574240 995536246 /nfs/dbraw/zinc/53/62/46/995536246.db2.gz JLUJHMFQTILSRO-UHFFFAOYSA-N 0 2 405.483 3.746 20 0 HHADLN CC(C)(C(=O)NCc1nnc(COc2ccccc2)[nH]1)c1cccc(C(F)(F)F)c1 ZINC000474579499 995540043 /nfs/dbraw/zinc/54/00/43/995540043.db2.gz NOEDZXZCKSTRSC-UHFFFAOYSA-N 0 2 418.419 3.997 20 0 HHADLN O=C(CCCOc1ccccc1Cl)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474584535 995544154 /nfs/dbraw/zinc/54/41/54/995544154.db2.gz SNCMTJJLQYJHBM-UHFFFAOYSA-N 0 2 400.866 3.513 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@H](Oc1ccccc1)c1ccccc1 ZINC000474588388 995547808 /nfs/dbraw/zinc/54/78/08/995547808.db2.gz YNQPQJORRGSWMS-HSZRJFAPSA-N 0 2 414.465 3.820 20 0 HHADLN O=C(CCCOc1ccc(Cl)cc1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474597318 995554809 /nfs/dbraw/zinc/55/48/09/995554809.db2.gz WFYGFEQPDJMVGC-UHFFFAOYSA-N 0 2 400.866 3.513 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000474596530 995555384 /nfs/dbraw/zinc/55/53/84/995555384.db2.gz KQBLIXFDOWCNQS-UONOGXRCSA-N 0 2 400.841 3.596 20 0 HHADLN Cc1cccc2c(=O)c(C(=O)N3CCCC[C@@H]3CNC(=O)Nc3ccccc3)c[nH]c12 ZINC000483158393 996008835 /nfs/dbraw/zinc/00/88/35/996008835.db2.gz LUYJWQMKRADKJC-GOSISDBHSA-N 0 2 418.497 3.653 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)[C@@H]1CCCN1c1nccs1 ZINC000483392501 996147502 /nfs/dbraw/zinc/14/75/02/996147502.db2.gz HZSLCCAYXMVSLF-LBPRGKRZSA-N 0 2 409.302 3.843 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1N1CCCCC1)c1cnn(CC(F)(F)F)c1 ZINC000475542859 996211089 /nfs/dbraw/zinc/21/10/89/996211089.db2.gz YRFZVWASNKJNHQ-UHFFFAOYSA-N 0 2 422.860 3.890 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccccc2OCC(F)F)c(Br)c1 ZINC000475821619 996392986 /nfs/dbraw/zinc/39/29/86/996392986.db2.gz OKVDDJOXXZLRET-UHFFFAOYSA-N 0 2 422.247 3.902 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2csc(C)n2)c(OC)c1 ZINC000475835281 996403323 /nfs/dbraw/zinc/40/33/23/996403323.db2.gz SXLZAJVXXPOTTO-UHFFFAOYSA-N 0 2 418.496 3.715 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(-c2csc(C(F)(F)F)n2)cc1 ZINC000475835422 996403914 /nfs/dbraw/zinc/40/39/14/996403914.db2.gz QJMHIPOBXXLOQB-UHFFFAOYSA-N 0 2 416.450 3.980 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)c1C ZINC000475837203 996405779 /nfs/dbraw/zinc/40/57/79/996405779.db2.gz VZNPOPCGSGNPCF-UHFFFAOYSA-N 0 2 407.536 3.595 20 0 HHADLN O=S(=O)(Nc1ccc2nncn2c1)c1ccc(Br)c(Cl)c1Cl ZINC000476228965 996691064 /nfs/dbraw/zinc/69/10/64/996691064.db2.gz YNWSHMJKOXBMMQ-UHFFFAOYSA-N 0 2 422.091 3.599 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccc(F)cc1)c1cccc(Br)c1 ZINC000476235580 996696142 /nfs/dbraw/zinc/69/61/42/996696142.db2.gz UIXYRUMGTXWURB-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN O=S(=O)(Nc1ccc(N2CCCC2)nc1)c1cc(F)c(Br)cc1F ZINC000476237747 996697105 /nfs/dbraw/zinc/69/71/05/996697105.db2.gz XDXGHOMOTZLOBF-UHFFFAOYSA-N 0 2 418.263 3.523 20 0 HHADLN CC(C)n1ncc2c1C[C@H](NC(=O)N=c1nc(-c3ccccc3Cl)[nH]s1)CC2 ZINC000484348814 996719910 /nfs/dbraw/zinc/71/99/10/996719910.db2.gz YDCSROOKWHYZHQ-CYBMUJFWSA-N 0 2 416.938 3.737 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cc(C)cc(F)c2)c(OCC(F)(F)F)c1 ZINC000476372928 996808252 /nfs/dbraw/zinc/80/82/52/996808252.db2.gz KSBROUJBRSZIEF-UHFFFAOYSA-N 0 2 421.368 3.663 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCC[C@@H]1c1cccs1 ZINC000476407200 996865423 /nfs/dbraw/zinc/86/54/23/996865423.db2.gz GGGIQKJLLGFJCD-OAHLLOKOSA-N 0 2 419.553 3.983 20 0 HHADLN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476423512 996889916 /nfs/dbraw/zinc/88/99/16/996889916.db2.gz BQPMNNVSVKSIKB-KMFMINBZSA-N 0 2 405.545 3.737 20 0 HHADLN CCc1c(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cnn1-c1ccccc1Cl ZINC000484637265 996972067 /nfs/dbraw/zinc/97/20/67/996972067.db2.gz CUIGRSCMNDKSGS-UHFFFAOYSA-N 0 2 410.890 3.676 20 0 HHADLN C[C@@H]1CCC[C@H](CCNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000476533601 997023464 /nfs/dbraw/zinc/02/34/64/997023464.db2.gz KTHOQKSBQGGAJU-HUUCEWRRSA-N 0 2 407.561 3.890 20 0 HHADLN O=S(=O)(c1ccc2ncsc2c1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000476537371 997027079 /nfs/dbraw/zinc/02/70/79/997027079.db2.gz QXFOTOYCYRQRBP-INIZCTEOSA-N 0 2 411.512 3.607 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000484692423 997031762 /nfs/dbraw/zinc/03/17/62/997031762.db2.gz XIUKAQJIBYPVKE-UHFFFAOYSA-N 0 2 404.444 3.701 20 0 HHADLN Cc1ccc2c(c1)N(C(=O)c1ccc(S(=O)(=O)Nc3nccs3)cc1)CCC2 ZINC000476542783 997034567 /nfs/dbraw/zinc/03/45/67/997034567.db2.gz VLUXUOUPXFIESC-UHFFFAOYSA-N 0 2 413.524 3.845 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCC[C@]2(CC=CCC2)C1 ZINC000476544041 997036953 /nfs/dbraw/zinc/03/69/53/997036953.db2.gz KLYNUADHVLVMGJ-HXUWFJFHSA-N 0 2 417.556 3.906 20 0 HHADLN C[C@@H]1CCCC[C@@H]1CCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476551691 997044666 /nfs/dbraw/zinc/04/46/66/997044666.db2.gz VUEWJGFOPWUZEX-HUUCEWRRSA-N 0 2 407.561 3.890 20 0 HHADLN CCOc1ccccc1[C@@H](CC(=O)Nc1ncc(-c2ccccc2)cn1)NC(C)=O ZINC000484709602 997049069 /nfs/dbraw/zinc/04/90/69/997049069.db2.gz MQZXRGZGDPGYPZ-HXUWFJFHSA-N 0 2 404.470 3.748 20 0 HHADLN CC(C)[C@H](C(=O)NC[C@H](C(C)C)N1CCC(C)CC1)S(=O)(=O)C1CCCCC1 ZINC000484710008 997049163 /nfs/dbraw/zinc/04/91/63/997049163.db2.gz RWYZLXXPTVWOBD-NHCUHLMSSA-N 0 2 414.656 3.631 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000484714401 997054313 /nfs/dbraw/zinc/05/43/13/997054313.db2.gz LVWKHDKAXIIQHU-UHFFFAOYSA-N 0 2 418.496 3.976 20 0 HHADLN CC(C)CC1(CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCC1 ZINC000476689692 997229247 /nfs/dbraw/zinc/22/92/47/997229247.db2.gz MZORAHNVICUYTF-UHFFFAOYSA-N 0 2 407.561 3.890 20 0 HHADLN COc1ccc(C)cc1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476724053 997271464 /nfs/dbraw/zinc/27/14/64/997271464.db2.gz XCESDPXDCWJALJ-UHFFFAOYSA-N 0 2 403.485 3.513 20 0 HHADLN Cc1ccccc1C[C@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476747173 997300209 /nfs/dbraw/zinc/30/02/09/997300209.db2.gz MOCBRYAIZSRKCP-HNNXBMFYSA-N 0 2 415.540 3.613 20 0 HHADLN CCN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1OC ZINC000476762959 997320747 /nfs/dbraw/zinc/32/07/47/997320747.db2.gz KFMOCXZKBDUVSN-UHFFFAOYSA-N 0 2 417.512 3.619 20 0 HHADLN CCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c(C)c1 ZINC000485013009 997377544 /nfs/dbraw/zinc/37/75/44/997377544.db2.gz JODABEJPABGTNR-UHFFFAOYSA-N 0 2 404.385 3.703 20 0 HHADLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc3c(cc(C)cc3C)s2)c1 ZINC000476915644 997524754 /nfs/dbraw/zinc/52/47/54/997524754.db2.gz QHIMNFUSRNYPMX-UHFFFAOYSA-N 0 2 406.485 3.509 20 0 HHADLN C[C@H]1CCCN(Cc2csc(NS(=O)(=O)c3ccc4ncccc4c3)n2)C1 ZINC000476938999 997553805 /nfs/dbraw/zinc/55/38/05/997553805.db2.gz ORSYELSMYRYFNU-AWEZNQCLSA-N 0 2 402.545 3.724 20 0 HHADLN O=C(CCSc1ccc2c(c1)OCCO2)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000485287210 997685833 /nfs/dbraw/zinc/68/58/33/997685833.db2.gz SVUAFIDUUZJBHY-UHFFFAOYSA-N 0 2 418.425 3.642 20 0 HHADLN Cc1occc1CN(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485362034 997786565 /nfs/dbraw/zinc/78/65/65/997786565.db2.gz LURCFEJVWSABBL-UHFFFAOYSA-N 0 2 406.489 3.509 20 0 HHADLN Cc1ccc(CCNC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1 ZINC000485361828 997786808 /nfs/dbraw/zinc/78/68/08/997786808.db2.gz BTOZOFRPZJDGRV-UHFFFAOYSA-N 0 2 416.528 3.617 20 0 HHADLN CCSCC[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485372542 997799321 /nfs/dbraw/zinc/79/93/21/997799321.db2.gz SNRRJXHRJXIKKI-GFCCVEGCSA-N 0 2 414.578 3.597 20 0 HHADLN Cc1csc(Sc2ccc(NS(=O)(=O)c3c(Cl)cnn3C)cc2)n1 ZINC000485390807 997819109 /nfs/dbraw/zinc/81/91/09/997819109.db2.gz NMRQJSOEIMMGOL-UHFFFAOYSA-N 0 2 400.938 3.790 20 0 HHADLN CCCOc1cccc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000485499203 997953161 /nfs/dbraw/zinc/95/31/61/997953161.db2.gz UDSHLUBVZZCEJQ-UHFFFAOYSA-N 0 2 417.512 3.985 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(C4CCCCC4)nn3C)cc2C[C@H]1C ZINC000477373563 998060788 /nfs/dbraw/zinc/06/07/88/998060788.db2.gz HGYDYRZWWGNUHN-CQSZACIVSA-N 0 2 416.547 3.566 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cc(C4CCCCC4)nn3C)cc21 ZINC000477378747 998066195 /nfs/dbraw/zinc/06/61/95/998066195.db2.gz UYVRPEHSICCMLC-UHFFFAOYSA-N 0 2 416.547 3.568 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccnc(-c2ccc(Cl)cc2)n1 ZINC000477500031 998221587 /nfs/dbraw/zinc/22/15/87/998221587.db2.gz OUANELRUWJTHKN-UHFFFAOYSA-N 0 2 411.874 3.780 20 0 HHADLN O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC000477508289 998229534 /nfs/dbraw/zinc/22/95/34/998229534.db2.gz ZXSJAJDTOXMQCZ-UHFFFAOYSA-N 0 2 421.429 3.593 20 0 HHADLN COc1cccc2c(C(=O)Nc3ccccc3NS(=O)(=O)c3ccccc3)n[nH]c21 ZINC000486008329 998452439 /nfs/dbraw/zinc/45/24/39/998452439.db2.gz VXTDVEFLLLSGQP-UHFFFAOYSA-N 0 2 422.466 3.625 20 0 HHADLN C[C@@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)c1ccc(Br)cn1 ZINC000477794568 998547731 /nfs/dbraw/zinc/54/77/31/998547731.db2.gz OJOSBCWSETWPHN-SNVBAGLBSA-N 0 2 421.682 3.880 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(Br)c(C)cc1C ZINC000486113797 998561644 /nfs/dbraw/zinc/56/16/44/998561644.db2.gz DVXRLRLIOPDZLT-UHFFFAOYSA-N 0 2 416.293 3.863 20 0 HHADLN O=C(C1=NN(c2ccccc2)CC1=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000486206521 998645704 /nfs/dbraw/zinc/64/57/04/998645704.db2.gz QHIDJFGWDRSAIX-SFHVURJKSA-N 0 2 415.453 3.995 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ncc3c(n2)CCC(C)(C)C3)c1Br ZINC000486549456 998820669 /nfs/dbraw/zinc/82/06/69/998820669.db2.gz NKIKRKZFFBOMCL-UHFFFAOYSA-N 0 2 410.337 3.863 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)n(-c2cc(C)ccn2)n1 ZINC000486554585 998823183 /nfs/dbraw/zinc/82/31/83/998823183.db2.gz CVLNIPOIXMEOGN-UHFFFAOYSA-N 0 2 410.421 3.790 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(-c3ccsc3)nn2C)cc1Cl ZINC000486556458 998823949 /nfs/dbraw/zinc/82/39/49/998823949.db2.gz BHTOSKCEBAJLKX-UHFFFAOYSA-N 0 2 410.908 3.561 20 0 HHADLN Cn1nc(-c2ccc(Cl)s2)cc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000486557573 998824898 /nfs/dbraw/zinc/82/48/98/998824898.db2.gz DCMFHNWHEYSZKY-UHFFFAOYSA-N 0 2 419.919 3.789 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(-c2cccnc2)[nH+]c2ccccn21 ZINC000486575144 998836223 /nfs/dbraw/zinc/83/62/23/998836223.db2.gz YVDKKPLIVOCRIB-UHFFFAOYSA-N 0 2 414.874 3.859 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)c1 ZINC000486645444 998873277 /nfs/dbraw/zinc/87/32/77/998873277.db2.gz LOPZMOKPADBHFA-UHFFFAOYSA-N 0 2 422.503 3.999 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2ncc(Cc3ccccc3F)s2)c1 ZINC000486648158 998874950 /nfs/dbraw/zinc/87/49/50/998874950.db2.gz UAPRZBHLTKTYHG-UHFFFAOYSA-N 0 2 408.476 3.691 20 0 HHADLN O=C(Nc1cccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)c1)c1ccco1 ZINC000478311278 998879584 /nfs/dbraw/zinc/87/95/84/998879584.db2.gz KCBNCGRENGKFFS-UHFFFAOYSA-N 0 2 409.352 3.848 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccccc1OC[C@@H]1CCCO1 ZINC000478318627 998884387 /nfs/dbraw/zinc/88/43/87/998884387.db2.gz FZHOEOIDOALBIA-LBPRGKRZSA-N 0 2 400.385 3.560 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cccc(OCc2cccnc2)c1 ZINC000478318765 998884857 /nfs/dbraw/zinc/88/48/57/998884857.db2.gz YLYIDJBZZIAXEM-UHFFFAOYSA-N 0 2 407.380 3.976 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000478322679 998887937 /nfs/dbraw/zinc/88/79/37/998887937.db2.gz CDLHXLNJQLDJGQ-UHFFFAOYSA-N 0 2 424.411 3.746 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2cc(-c3cc(F)cc(F)c3)[nH]n2)cc1 ZINC000486761939 998928546 /nfs/dbraw/zinc/92/85/46/998928546.db2.gz WXJXDGNNDDHCFE-UHFFFAOYSA-N 0 2 423.441 3.571 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(OCC(C)C)c(OC)c3)s[nH]2)c1 ZINC000478672040 999080963 /nfs/dbraw/zinc/08/09/63/999080963.db2.gz VPNTTYUOQLUELR-UHFFFAOYSA-N 0 2 413.499 3.931 20 0 HHADLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2cc(N(C)C)ccc2Br)cn1 ZINC000478687932 999089013 /nfs/dbraw/zinc/08/90/13/999089013.db2.gz ASPMNQTWFMDZNR-LLVKDONJSA-N 0 2 413.341 3.619 20 0 HHADLN COC[C@@H](C)[C@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C ZINC000487498783 999199320 /nfs/dbraw/zinc/19/93/20/999199320.db2.gz KMXBCLZLSDLGOI-CABCVRRESA-N 0 2 408.495 3.792 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccc2ncsc2c1 ZINC000479061545 999274844 /nfs/dbraw/zinc/27/48/44/999274844.db2.gz OGNHQMUSOOUHST-UHFFFAOYSA-N 0 2 404.904 3.995 20 0 HHADLN Cc1cccc(F)c1S(=O)(=O)Nc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000479062340 999275163 /nfs/dbraw/zinc/27/51/63/999275163.db2.gz PCEDSNWMZQVVAT-UHFFFAOYSA-N 0 2 414.462 3.652 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1 ZINC000479079047 999284060 /nfs/dbraw/zinc/28/40/60/999284060.db2.gz KTARQGJJIJUAAV-UHFFFAOYSA-N 0 2 401.536 3.629 20 0 HHADLN COC(=O)c1ccncc1NS(=O)(=O)c1ccc2cc(Br)ccc2c1 ZINC000479081231 999284897 /nfs/dbraw/zinc/28/48/97/999284897.db2.gz YOQFBRMOMREMMB-UHFFFAOYSA-N 0 2 421.272 3.585 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1nc(C)c(Cc2ccccc2F)s1 ZINC000479091068 999289261 /nfs/dbraw/zinc/28/92/61/999289261.db2.gz RHNJEJFSHHGSNI-UHFFFAOYSA-N 0 2 422.503 3.999 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)cn1 ZINC000479106340 999296749 /nfs/dbraw/zinc/29/67/49/999296749.db2.gz ILOCYSSXYHABGD-UHFFFAOYSA-N 0 2 420.903 3.945 20 0 HHADLN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@@H]([N@H+]2CC=C(c3cccc(Cl)c3)CC2)C1=O ZINC000479179837 999312818 /nfs/dbraw/zinc/31/28/18/999312818.db2.gz SHITYKMFFKCGGX-HXUWFJFHSA-N 0 2 424.884 3.768 20 0 HHADLN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@@H]([N@@H+]2CC=C(c3cccc(Cl)c3)CC2)C1=O ZINC000479179837 999312822 /nfs/dbraw/zinc/31/28/22/999312822.db2.gz SHITYKMFFKCGGX-HXUWFJFHSA-N 0 2 424.884 3.768 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2Cc2sccc2C)cc1Cl ZINC000479243599 999342848 /nfs/dbraw/zinc/34/28/48/999342848.db2.gz ANROVMQYHHVKKX-UHFFFAOYSA-N 0 2 424.935 3.714 20 0 HHADLN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1cc(-c2ccncc2)nn1C ZINC000479247304 999345191 /nfs/dbraw/zinc/34/51/91/999345191.db2.gz BYARKCOOVDCSAZ-UHFFFAOYSA-N 0 2 421.320 3.662 20 0 HHADLN CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000479256067 999350195 /nfs/dbraw/zinc/35/01/95/999350195.db2.gz XPYHABHAYBNSBH-OAHLLOKOSA-N 0 2 422.526 3.666 20 0 HHADLN Cc1cc(S(C)(=O)=O)cc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1C ZINC000479274669 999359583 /nfs/dbraw/zinc/35/95/83/999359583.db2.gz GPJVVYFIACOYKR-UHFFFAOYSA-N 0 2 408.328 3.815 20 0 HHADLN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3cn(C)nc3C(C)C)ccc2s1 ZINC000479285741 999365708 /nfs/dbraw/zinc/36/57/08/999365708.db2.gz QLVVNRHNYZLHIS-UHFFFAOYSA-N 0 2 407.517 3.736 20 0 HHADLN CCCOc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000479366656 999406184 /nfs/dbraw/zinc/40/61/84/999406184.db2.gz SOMZAYQJAKBKHZ-UHFFFAOYSA-N 0 2 406.479 3.651 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(OC3CCC3)c(F)c2)c(OC)c1 ZINC000488256223 999412538 /nfs/dbraw/zinc/41/25/38/999412538.db2.gz PUERAPAMVOQVHP-UHFFFAOYSA-N 0 2 411.451 3.584 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2c(OC)cc(OC)cc2OC)c1C1CC1 ZINC000488276474 999420468 /nfs/dbraw/zinc/42/04/68/999420468.db2.gz ZMJWFZUXQAXPKZ-LBPRGKRZSA-N 0 2 409.508 3.558 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cccc(OC3CCCC3)c2)c(OC)c1 ZINC000488300833 999429825 /nfs/dbraw/zinc/42/98/25/999429825.db2.gz ZROOAHKRIVXMJY-UHFFFAOYSA-N 0 2 407.488 3.835 20 0 HHADLN O=S(=O)(Nc1ccccc1CCC(F)(F)F)c1cnn(CC(F)(F)F)c1 ZINC000479480958 999436119 /nfs/dbraw/zinc/43/61/19/999436119.db2.gz FVQJMRTUHFPSNO-UHFFFAOYSA-N 0 2 401.332 3.741 20 0 HHADLN Cc1cccc(F)c1S(=O)(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1 ZINC000479487192 999439158 /nfs/dbraw/zinc/43/91/58/999439158.db2.gz FSIJZFJKCXSIDQ-UHFFFAOYSA-N 0 2 414.458 3.952 20 0 HHADLN Cc1cc(Br)c(O)c(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1 ZINC000479495623 999443891 /nfs/dbraw/zinc/44/38/91/999443891.db2.gz HKQLXBUSHLXIOV-GTNSWQLSSA-N 0 2 416.337 3.600 20 0 HHADLN O=S(=O)(Nc1ccc(Oc2cccnc2)nc1)c1ccc(Br)cc1F ZINC000479498479 999445439 /nfs/dbraw/zinc/44/54/39/999445439.db2.gz CSHCUASBPGOXDS-UHFFFAOYSA-N 0 2 424.251 3.971 20 0 HHADLN COc1cc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)cc1Br ZINC000488361732 999457372 /nfs/dbraw/zinc/45/73/72/999457372.db2.gz CIHYOHCFGXFWCY-UHFFFAOYSA-N 0 2 408.220 3.545 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1cncc(Cl)c1 ZINC000488371104 999462172 /nfs/dbraw/zinc/46/21/72/999462172.db2.gz ITXKHPLNGJCIHK-NSHDSACASA-N 0 2 403.287 3.605 20 0 HHADLN CC(C)(C)Oc1c(F)cc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1F ZINC000479535086 999465105 /nfs/dbraw/zinc/46/51/05/999465105.db2.gz ZDPNMDGEJUXNIO-UHFFFAOYSA-N 0 2 413.368 3.702 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccc(Cl)cc2)c1)c1cnn(Cc2ccccc2)c1 ZINC000479545592 999470422 /nfs/dbraw/zinc/47/04/22/999470422.db2.gz PDXONHRFLXMCFN-UHFFFAOYSA-N 0 2 413.890 3.571 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc3ncsc3c2)cnn1-c1cc(C)ccn1 ZINC000479551540 999473754 /nfs/dbraw/zinc/47/37/54/999473754.db2.gz MJNSKEUVBJWGGF-UHFFFAOYSA-N 0 2 413.528 3.939 20 0 HHADLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cc(Cl)cc(C(F)(F)F)c1 ZINC000479556505 999475895 /nfs/dbraw/zinc/47/58/95/999475895.db2.gz QTYKWIFSAFWEBX-UHFFFAOYSA-N 0 2 413.826 3.563 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@@H]1CCCOc2c(F)cccc21 ZINC000488566626 999530212 /nfs/dbraw/zinc/53/02/12/999530212.db2.gz ZUYRNALABDEROF-CYBMUJFWSA-N 0 2 402.451 3.591 20 0 HHADLN Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000488568152 999530601 /nfs/dbraw/zinc/53/06/01/999530601.db2.gz BETXWAWZVJSJRY-UHFFFAOYSA-N 0 2 423.489 3.741 20 0 HHADLN CCc1csc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)n1 ZINC000488653238 999559639 /nfs/dbraw/zinc/55/96/39/999559639.db2.gz ZVUGOJAAZAIXCQ-NSHDSACASA-N 0 2 402.925 3.575 20 0 HHADLN CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1 ZINC000479769917 999581971 /nfs/dbraw/zinc/58/19/71/999581971.db2.gz SDPUFKMOHGKDCP-UHFFFAOYSA-N 0 2 413.428 3.617 20 0 HHADLN Cc1cscc1CNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000488936989 999652199 /nfs/dbraw/zinc/65/21/99/999652199.db2.gz LMYGHBIRCQAKAV-UHFFFAOYSA-N 0 2 408.530 3.636 20 0 HHADLN O=S(=O)(Cc1cc(F)c(C(F)(F)F)cc1F)c1n[nH]c(-c2ccccc2F)n1 ZINC000488941420 999653297 /nfs/dbraw/zinc/65/32/97/999653297.db2.gz XYCAFPZYAZHFRB-UHFFFAOYSA-N 0 2 421.322 3.882 20 0 HHADLN Cc1ccnc(-n2nccc2NS(=O)(=O)c2cc(C)c(Br)cc2C)c1 ZINC000479983869 999674128 /nfs/dbraw/zinc/67/41/28/999674128.db2.gz FYMCJIUWSDGKAO-UHFFFAOYSA-N 0 2 421.320 3.756 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(F)cc2C(F)(F)F)cnn1-c1ccccn1 ZINC000479988254 999675831 /nfs/dbraw/zinc/67/58/31/999675831.db2.gz LVUKVNUIQCATOI-UHFFFAOYSA-N 0 2 400.357 3.534 20 0 HHADLN O=C(NCCCc1n[nH]c(=O)[nH]1)[C@@H](Sc1ccccc1Cl)c1ccccc1 ZINC000480038505 999696628 /nfs/dbraw/zinc/69/66/28/999696628.db2.gz KVMUESBODNEXND-KRWDZBQOSA-N 0 2 402.907 3.746 20 0 HHADLN O=C(NCCCc1n[nH]c(=O)[nH]1)[C@H](Sc1ccccc1Cl)c1ccccc1 ZINC000480038509 999696793 /nfs/dbraw/zinc/69/67/93/999696793.db2.gz KVMUESBODNEXND-QGZVFWFLSA-N 0 2 402.907 3.746 20 0 HHADLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000480039129 999696950 /nfs/dbraw/zinc/69/69/50/999696950.db2.gz NFEPWYWGROVDIW-UHFFFAOYSA-N 0 2 421.284 3.759 20 0 HHADLN Cc1noc([C@H]2CCCCN2C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)n1 ZINC000480052611 999702861 /nfs/dbraw/zinc/70/28/61/999702861.db2.gz YIDHXASWISXZSR-CYBMUJFWSA-N 0 2 404.883 3.731 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000480052584 999702907 /nfs/dbraw/zinc/70/29/07/999702907.db2.gz YEKNLAFJUHQVOG-BRWVUGGUSA-N 0 2 412.540 3.725 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCC(Cc2ccccc2CO)CC1 ZINC000480069611 999708291 /nfs/dbraw/zinc/70/82/91/999708291.db2.gz LIUXYVLWIHRKBM-UHFFFAOYSA-N 0 2 414.556 3.667 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000480101385 999717406 /nfs/dbraw/zinc/71/74/06/999717406.db2.gz XPCFRLDWNUMSRZ-JSGCOSHPSA-N 0 2 420.947 3.582 20 0 HHADLN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000480186733 999739664 /nfs/dbraw/zinc/73/96/64/999739664.db2.gz ANAWWXVOMVUNJL-SNVBAGLBSA-N 0 2 402.289 3.865 20 0 HHADLN CCc1c(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cnn1-c1cccc(C)c1 ZINC000480195354 999741657 /nfs/dbraw/zinc/74/16/57/999741657.db2.gz BYNHADLJSSAABO-UHFFFAOYSA-N 0 2 407.499 3.730 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cnn1-c1ccccc1C ZINC000480202329 999743975 /nfs/dbraw/zinc/74/39/75/999743975.db2.gz WZADWMYHIROWGS-UHFFFAOYSA-N 0 2 412.515 3.527 20 0 HHADLN CCc1c(NS(=O)(=O)c2c(C)oc(C)c2C(=O)OC)cnn1-c1ccccc1C ZINC000480229069 999750845 /nfs/dbraw/zinc/75/08/45/999750845.db2.gz URWWJZGFYYYPJW-UHFFFAOYSA-N 0 2 417.487 3.540 20 0 HHADLN COc1ccc([C@@H](C)NC(=O)N=c2nc(-c3ccsc3)[nH]s2)c(C)c1OC ZINC000480236674 999753082 /nfs/dbraw/zinc/75/30/82/999753082.db2.gz NQQKSISTKXDRDM-LLVKDONJSA-N 0 2 404.517 3.897 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(Br)cc(OC)c2)c1C ZINC000480238201 999753325 /nfs/dbraw/zinc/75/33/25/999753325.db2.gz BYVBAQFLQOLIGS-JTQLQIEISA-N 0 2 402.314 3.734 20 0 HHADLN CC(C)(C)[C@@H]1CCc2nc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)sc2C1 ZINC000480238349 999753571 /nfs/dbraw/zinc/75/35/71/999753571.db2.gz UHIOPJPCGUJMRJ-CYBMUJFWSA-N 0 2 424.592 3.643 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cnn1C(CC)CC ZINC000480255932 999757624 /nfs/dbraw/zinc/75/76/24/999757624.db2.gz ZLSZJELYARUTSE-AWEZNQCLSA-N 0 2 418.563 3.905 20 0 HHADLN C[C@H](CN(C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)[C@@H](C)CO)c1ccccc1 ZINC000489473450 999774194 /nfs/dbraw/zinc/77/41/94/999774194.db2.gz HZMUTIQKZJGXOD-CVEARBPZSA-N 0 2 413.905 3.858 20 0 HHADLN CC(C)n1ncc2cc(S(=O)(=O)Nc3cnc(-c4cccc(O)c4)nc3)ccc21 ZINC000489703203 999820867 /nfs/dbraw/zinc/82/08/67/999820867.db2.gz IMRIXFQSUQGOKK-UHFFFAOYSA-N 0 2 409.471 3.581 20 0 HHADLN CC(C)(C)c1nc(=NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)s[nH]1 ZINC000489905777 999859624 /nfs/dbraw/zinc/85/96/24/999859624.db2.gz APJPUBRSLJOPGY-UHFFFAOYSA-N 0 2 412.481 3.993 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1csc2ccccc12 ZINC000490036039 999882175 /nfs/dbraw/zinc/88/21/75/999882175.db2.gz DKLYCWKWHUSBKK-UHFFFAOYSA-N 0 2 416.509 3.806 20 0 HHADLN COc1ccccc1-c1n[nH]c(NC(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)n1 ZINC000490148757 999900427 /nfs/dbraw/zinc/90/04/27/999900427.db2.gz ODQPRIDESYBOAS-UHFFFAOYSA-N 0 2 423.864 3.584 20 0 HHADLN CCc1cnccc1CNC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000490250933 999921678 /nfs/dbraw/zinc/92/16/78/999921678.db2.gz QYCWTLUHULXUJQ-UHFFFAOYSA-N 0 2 415.540 3.745 20 0 HHADLN C[C@@H](NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)[C@@H](C)C1CCCCC1 ZINC000490888062 1000020084 /nfs/dbraw/zinc/02/00/84/1000020084.db2.gz YAGFIAVXMZENJT-ZIAGYGMSSA-N 0 2 424.592 3.617 20 0 HHADLN C[C@@H](NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)[C@H](C)C1CCCCC1 ZINC000490888061 1000020108 /nfs/dbraw/zinc/02/01/08/1000020108.db2.gz YAGFIAVXMZENJT-UONOGXRCSA-N 0 2 424.592 3.617 20 0 HHADLN CC(C)CCc1ccc(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ncccn2)cc1 ZINC000492070077 1000108048 /nfs/dbraw/zinc/10/80/48/1000108048.db2.gz RNPLEUCKJFWDFJ-UHFFFAOYSA-N 0 2 411.531 3.929 20 0 HHADLN CC(C)c1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)n(-c2ncccn2)n1 ZINC000492084811 1000108955 /nfs/dbraw/zinc/10/89/55/1000108955.db2.gz WZCYXGBWBICWPO-UHFFFAOYSA-N 0 2 412.302 3.893 20 0 HHADLN CN(C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)[C@H](c1ncc[nH]1)c1ccccc1 ZINC000493125377 1000158717 /nfs/dbraw/zinc/15/87/17/1000158717.db2.gz DQMBYHQZGMCRSR-IBGZPJMESA-N 0 2 407.861 3.816 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1csc(C(F)(F)F)n1 ZINC000493972723 1000245779 /nfs/dbraw/zinc/24/57/79/1000245779.db2.gz ZLEZJNSBGVASEV-UHFFFAOYSA-N 0 2 418.198 3.962 20 0 HHADLN O=C(Nc1ccccc1NS(=O)(=O)c1ccccc1)c1cc(F)cc2[nH]cnc21 ZINC000494423118 1000484812 /nfs/dbraw/zinc/48/48/12/1000484812.db2.gz RRCRTLNDPHYGGI-UHFFFAOYSA-N 0 2 410.430 3.755 20 0 HHADLN CCOC(=O)c1cccc(S(=O)(=O)Nc2cccc3oc(C(F)(F)F)nc32)c1 ZINC000494489776 1000519490 /nfs/dbraw/zinc/51/94/90/1000519490.db2.gz WNTVCYCWHYWKNM-UHFFFAOYSA-N 0 2 414.361 3.824 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3cncnc3-c3ccccc3)cc2F)c1 ZINC000494525554 1000538682 /nfs/dbraw/zinc/53/86/82/1000538682.db2.gz ZBIROYWHYXGMRW-UHFFFAOYSA-N 0 2 409.446 3.578 20 0 HHADLN O=C(N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)c1ccc2nncn2c1 ZINC000505208467 1000619812 /nfs/dbraw/zinc/61/98/12/1000619812.db2.gz DCDGGZPUJXOSCW-UHFFFAOYSA-N 0 2 414.450 3.714 20 0 HHADLN NC(=O)c1ccc(C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)s1 ZINC000505212025 1000622515 /nfs/dbraw/zinc/62/25/15/1000622515.db2.gz XHXWGQHWIKHIKU-UHFFFAOYSA-N 0 2 422.491 3.832 20 0 HHADLN CCc1ccc([C@@H]2CN(C(=O)c3nn(-c4ccc(Cl)cc4)cc3[O-])CC[NH2+]2)cc1 ZINC000505563991 1000906811 /nfs/dbraw/zinc/90/68/11/1000906811.db2.gz BXLIPEBQYMEYNB-IBGZPJMESA-N 0 2 410.905 3.580 20 0 HHADLN O=C(N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)c1ccc2n[nH]nc2c1 ZINC000505737780 1001000812 /nfs/dbraw/zinc/00/08/12/1001000812.db2.gz ZZKRRRXLZMCMKA-UHFFFAOYSA-N 0 2 414.450 3.943 20 0 HHADLN O=C(COc1cccnc1)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000505758054 1001008788 /nfs/dbraw/zinc/00/87/88/1001008788.db2.gz LNSWWOPEWPVGQG-UHFFFAOYSA-N 0 2 404.451 3.832 20 0 HHADLN CC1(C)CN(C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)C[C@@](C)(C(F)(F)F)O1 ZINC000505780859 1001020258 /nfs/dbraw/zinc/02/02/58/1001020258.db2.gz DYQABMLADIRXBK-KRWDZBQOSA-N 0 2 417.815 3.803 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)c1 ZINC000506568732 1001461383 /nfs/dbraw/zinc/46/13/83/1001461383.db2.gz QMAQUAZQIWRXKK-UHFFFAOYSA-N 0 2 418.496 3.796 20 0 HHADLN COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000506705903 1001499673 /nfs/dbraw/zinc/49/96/73/1001499673.db2.gz HNQQUQDQAXYNRE-UHFFFAOYSA-N 0 2 423.796 3.955 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2OC[C@H]2CCCO2)c1 ZINC000506707482 1001500376 /nfs/dbraw/zinc/50/03/76/1001500376.db2.gz LWWDZXDWTXSVKW-QGZVFWFLSA-N 0 2 421.515 3.509 20 0 HHADLN O=S(=O)(Nc1ccc(F)c(NS(=O)(=O)c2cccs2)c1)c1ccsc1 ZINC000506732246 1001508306 /nfs/dbraw/zinc/50/83/06/1001508306.db2.gz VKVBMNFRFRJVNX-UHFFFAOYSA-N 0 2 418.518 3.550 20 0 HHADLN CC(C)c1ccsc1C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000497792904 1001515650 /nfs/dbraw/zinc/51/56/50/1001515650.db2.gz INYNRKCOGGMHSF-UHFFFAOYSA-N 0 2 408.530 3.776 20 0 HHADLN CC(C)[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccccc1 ZINC000497804629 1001519277 /nfs/dbraw/zinc/51/92/77/1001519277.db2.gz GXYJKTOUEFLPBY-KRWDZBQOSA-N 0 2 416.528 3.717 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cc(C)ccc2Cl)nc1C(C)(C)C ZINC000497849996 1001536289 /nfs/dbraw/zinc/53/62/89/1001536289.db2.gz ZEXLGZJDLIFVLT-UHFFFAOYSA-N 0 2 402.925 3.990 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)ccc1C ZINC000506808677 1001541608 /nfs/dbraw/zinc/54/16/08/1001541608.db2.gz YRJAJPUMIQIVPE-UHFFFAOYSA-N 0 2 409.514 3.553 20 0 HHADLN CCCc1nnc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)s1 ZINC000506823365 1001550421 /nfs/dbraw/zinc/55/04/21/1001550421.db2.gz XITXAZBIJZQVKS-UHFFFAOYSA-N 0 2 414.709 3.846 20 0 HHADLN Cn1cnc2cc(NS(=O)(=O)c3cc(Cl)c(Br)cc3F)ccc21 ZINC000506862076 1001570481 /nfs/dbraw/zinc/57/04/81/1001570481.db2.gz OMHPTQXGYBBWEM-UHFFFAOYSA-N 0 2 418.675 3.929 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](C)c3cc(OC)ccc3OC)s[nH]2)c1 ZINC000498211619 1001695196 /nfs/dbraw/zinc/69/51/96/1001695196.db2.gz VTHXKQBRYGHZAH-GFCCVEGCSA-N 0 2 414.487 3.536 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3C[C@@H](c4ccccc4)O[C@@H](C)C3)s[nH]2)c1 ZINC000498223147 1001707241 /nfs/dbraw/zinc/70/72/41/1001707241.db2.gz FEVPUBSOBFBCBW-KSSFIOAISA-N 0 2 410.499 3.630 20 0 HHADLN COc1cc(Br)cc(NS(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000498486148 1001912112 /nfs/dbraw/zinc/91/21/12/1001912112.db2.gz XDEXOOQXWLLCDH-UHFFFAOYSA-N 0 2 408.220 3.860 20 0 HHADLN O=S(=O)(Nc1cccnc1OCC(F)F)c1ccc(OC(F)F)c(Cl)c1 ZINC000498499548 1001923936 /nfs/dbraw/zinc/92/39/36/1001923936.db2.gz MMHICYNZBBZJML-UHFFFAOYSA-N 0 2 414.764 3.781 20 0 HHADLN CC(C)(C)Oc1cc(F)ccc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000498500760 1001924720 /nfs/dbraw/zinc/92/47/20/1001924720.db2.gz YPHBWGNHDLUZJY-UHFFFAOYSA-N 0 2 414.842 3.892 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(F)c(C)cc2F)cc1Oc1ccc(C)nn1 ZINC000498504234 1001927238 /nfs/dbraw/zinc/92/72/38/1001927238.db2.gz ITEDCEUSUMNIIO-UHFFFAOYSA-N 0 2 421.425 3.973 20 0 HHADLN O=S(=O)(Nc1nc2c(ccc3c2CCCC3)s1)c1cccc2c1OCCO2 ZINC000507302932 1001985191 /nfs/dbraw/zinc/98/51/91/1001985191.db2.gz KFLOHTBJLFLNFD-UHFFFAOYSA-N 0 2 402.497 3.747 20 0 HHADLN Cc1nc(NS(=O)(=O)c2c(C)nn(C)c2C)sc1Cc1cccc(Cl)c1 ZINC000507320370 1001999897 /nfs/dbraw/zinc/99/98/97/1001999897.db2.gz SRXOTAQOQAXVMX-UHFFFAOYSA-N 0 2 410.952 3.847 20 0 HHADLN COCCCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1OC ZINC000507561216 1002166378 /nfs/dbraw/zinc/16/63/78/1002166378.db2.gz AAIWSLBVYFDUSH-UHFFFAOYSA-N 0 2 403.859 3.704 20 0 HHADLN CCCOc1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)OCC)ccc1OC ZINC000507889211 1002421389 /nfs/dbraw/zinc/42/13/89/1002421389.db2.gz OCSZGRRSRNJKSI-UHFFFAOYSA-N 0 2 411.451 3.601 20 0 HHADLN Cc1cc(Br)c(O)c(NS(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 ZINC000507893763 1002427515 /nfs/dbraw/zinc/42/75/15/1002427515.db2.gz ZAQONPWTBXZZHW-UHFFFAOYSA-N 0 2 403.298 3.691 20 0 HHADLN COc1cc(C)c(Br)cc1NS(=O)(=O)Cc1cc(C(C)(C)C)on1 ZINC000507916571 1002450943 /nfs/dbraw/zinc/45/09/43/1002450943.db2.gz BNEQXACNWFRJKN-UHFFFAOYSA-N 0 2 417.325 3.994 20 0 HHADLN CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc3oc(C)c(C)c3c2)c1OC ZINC000507918319 1002452353 /nfs/dbraw/zinc/45/23/53/1002452353.db2.gz FYOOIFFITYTNEK-UHFFFAOYSA-N 0 2 422.890 3.872 20 0 HHADLN O=S(=O)([N-]c1ccc(Cn2cc[nH+]c2)cn1)c1cc2cc(Cl)ccc2s1 ZINC000508066895 1002588650 /nfs/dbraw/zinc/58/86/50/1002588650.db2.gz GFQKJFXBMULQKP-UHFFFAOYSA-N 0 2 404.904 3.995 20 0 HHADLN O=S(=O)([N-]c1ccc(Cn2cc[nH+]c2)cn1)c1csc2ccc(Cl)cc21 ZINC000508070187 1002591721 /nfs/dbraw/zinc/59/17/21/1002591721.db2.gz VINKQJAYSAUFRH-UHFFFAOYSA-N 0 2 404.904 3.995 20 0 HHADLN CCCc1ccc(Cl)c(S(=O)(=O)Nc2cnc(C(=O)OC)c(Cl)c2)c1 ZINC000508081228 1002602149 /nfs/dbraw/zinc/60/21/49/1002602149.db2.gz BZMKWXVIRKNLPM-UHFFFAOYSA-N 0 2 403.287 3.928 20 0 HHADLN CN(C)c1cccc(S(=O)(=O)Nc2nc3c(cccc3Br)s2)c1 ZINC000508082313 1002603926 /nfs/dbraw/zinc/60/39/26/1002603926.db2.gz GSOXZYAUVZFOJR-UHFFFAOYSA-N 0 2 412.334 3.926 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc3c(s2)c(Cl)ccc3C)cs1 ZINC000508085420 1002607069 /nfs/dbraw/zinc/60/70/69/1002607069.db2.gz PPJGUJNYEAFCOF-UHFFFAOYSA-N 0 2 402.906 3.907 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccccn2)s1)c1cccc(OC(F)(F)F)c1 ZINC000508092774 1002616568 /nfs/dbraw/zinc/61/65/68/1002616568.db2.gz FMOFKSVWAIGJQY-UHFFFAOYSA-N 0 2 401.391 3.905 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(Br)c2)o1)c1ccc(Cl)cc1 ZINC000508099908 1002624464 /nfs/dbraw/zinc/62/44/64/1002624464.db2.gz FPVPIZZKVPVTBR-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1ccc(Br)s1 ZINC000508108750 1002634410 /nfs/dbraw/zinc/63/44/10/1002634410.db2.gz FZKKHZBJQCQCAF-UHFFFAOYSA-N 0 2 409.352 3.662 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(Br)c2)o1)c1cc(F)cc(F)c1 ZINC000508109819 1002635632 /nfs/dbraw/zinc/63/56/32/1002635632.db2.gz MEHMYBDHHNDXTF-UHFFFAOYSA-N 0 2 416.203 3.578 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2cc3n[nH]cc3c(C)c2)cn1 ZINC000499268657 1002673889 /nfs/dbraw/zinc/67/38/89/1002673889.db2.gz AEYSJJMHJLRGDO-UHFFFAOYSA-N 0 2 417.878 3.520 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccccc3CC(F)(F)F)cnc2c1Cl ZINC000499286347 1002697341 /nfs/dbraw/zinc/69/73/41/1002697341.db2.gz PXMZUHQPDPJFIP-UHFFFAOYSA-N 0 2 404.801 3.597 20 0 HHADLN CCCn1ccc2ccc(NS(=O)(=O)c3cnc4c(Cl)c(C)nn4c3)cc21 ZINC000499295941 1002705982 /nfs/dbraw/zinc/70/59/82/1002705982.db2.gz LNTSMERNMMTKQV-UHFFFAOYSA-N 0 2 403.895 3.857 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1nnc(-c2cccc3ccccc32)n1C ZINC000508181875 1002717315 /nfs/dbraw/zinc/71/73/15/1002717315.db2.gz XMDPBLRQXNFHMT-UHFFFAOYSA-N 0 2 402.483 3.982 20 0 HHADLN O=C(Nc1ccc2c(=O)cc[nH]c2c1)c1[nH]nc(-c2ccccc2)c1Br ZINC000508193747 1002728945 /nfs/dbraw/zinc/72/89/45/1002728945.db2.gz LUBMYFACBDJBKY-UHFFFAOYSA-N 0 2 409.243 3.933 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nnc(C[C@@H](C)CC(C)(C)C)o2)c1 ZINC000508205149 1002739036 /nfs/dbraw/zinc/73/90/36/1002739036.db2.gz LVOYXOXAAMBRJU-CQSZACIVSA-N 0 2 423.535 3.591 20 0 HHADLN CO[C@@H]1CCC[C@@H](Oc2ccnc(NS(=O)(=O)c3csc4ccccc43)n2)C1 ZINC000508224981 1002753553 /nfs/dbraw/zinc/75/35/53/1002753553.db2.gz RRNSNRHOKWJCSC-ZIAGYGMSSA-N 0 2 419.528 3.829 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2cc(COC)ccc2OC)o1)c1ccccc1 ZINC000508240398 1002765890 /nfs/dbraw/zinc/76/58/90/1002765890.db2.gz NANWKOVZXZEPPE-INIZCTEOSA-N 0 2 417.487 3.567 20 0 HHADLN CN(Cc1ccc(Br)s1)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499590024 1002964829 /nfs/dbraw/zinc/96/48/29/1002964829.db2.gz YJRWXLFTJRIBAE-UHFFFAOYSA-N 0 2 410.268 3.813 20 0 HHADLN COc1ccc(OC)c([C@H]2CCCN2C(=O)C2=NN(c3ccc(F)cc3)CC2=O)c1 ZINC000499709723 1003058829 /nfs/dbraw/zinc/05/88/29/1003058829.db2.gz CKQWLGIIDJQCRF-GOSISDBHSA-N 0 2 411.433 3.712 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(C)Cc3ccc(OC(F)(F)F)cc3)=N2)cc1 ZINC000499718729 1003066498 /nfs/dbraw/zinc/06/64/98/1003066498.db2.gz CLAQDJPDBNHQLX-UHFFFAOYSA-N 0 2 421.375 3.757 20 0 HHADLN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C[C@H](C)O1 ZINC000499742013 1003088215 /nfs/dbraw/zinc/08/82/15/1003088215.db2.gz PGBIVWMZHIUSOH-IYBDPMFKSA-N 0 2 424.476 3.579 20 0 HHADLN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C[C@H](C)O1 ZINC000499742013 1003088224 /nfs/dbraw/zinc/08/82/24/1003088224.db2.gz PGBIVWMZHIUSOH-IYBDPMFKSA-N 0 2 424.476 3.579 20 0 HHADLN CN(Cc1ccc(Br)cc1)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499772700 1003110619 /nfs/dbraw/zinc/11/06/19/1003110619.db2.gz GYQTUNRURHVGHN-UHFFFAOYSA-N 0 2 404.239 3.752 20 0 HHADLN CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499777877 1003115105 /nfs/dbraw/zinc/11/51/05/1003115105.db2.gz ILMSQOZMRHVESS-UHFFFAOYSA-N 0 2 419.460 3.812 20 0 HHADLN CC(C)n1c(CCNC(=O)C2=NN(c3ccc(F)cc3)CC2=O)nc2ccccc21 ZINC000499846107 1003182183 /nfs/dbraw/zinc/18/21/83/1003182183.db2.gz IPXMWRAUPDQGBN-UHFFFAOYSA-N 0 2 407.449 3.620 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](c3ccccc3)c3ccncc3)=N2)cc1 ZINC000499888856 1003223808 /nfs/dbraw/zinc/22/38/08/1003223808.db2.gz FLCCEEKAVWNZPU-OAQYLSRUSA-N 0 2 400.438 3.501 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NCCCCCOC3CCCCC3)=N2)cc1 ZINC000500007685 1003331340 /nfs/dbraw/zinc/33/13/40/1003331340.db2.gz PCDIQXVAPGIDOZ-UHFFFAOYSA-N 0 2 401.507 3.836 20 0 HHADLN CC(=O)c1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3)c(F)cc2C)[nH]1 ZINC000509032795 1003503109 /nfs/dbraw/zinc/50/31/09/1003503109.db2.gz NVWDFJLKERCRDR-UHFFFAOYSA-N 0 2 415.446 3.718 20 0 HHADLN O=S(=O)(C[C@@H]1CCCC(F)(F)C1)c1n[nH]c(-c2ccccc2Br)n1 ZINC000509146728 1003585032 /nfs/dbraw/zinc/58/50/32/1003585032.db2.gz LLTRFJRZOGZRLZ-SNVBAGLBSA-N 0 2 420.279 3.833 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cccc(SC)c2)nc1C(C)(C)C ZINC000509195145 1003617772 /nfs/dbraw/zinc/61/77/72/1003617772.db2.gz ILADKIUIOBTFFZ-UHFFFAOYSA-N 0 2 400.547 3.750 20 0 HHADLN CC1(C)Oc2ccc(NS(=O)(=O)c3cc(Br)ccc3F)cc2O1 ZINC000500343674 1003642663 /nfs/dbraw/zinc/64/26/63/1003642663.db2.gz FAELMIKWZLXQLI-UHFFFAOYSA-N 0 2 402.241 3.896 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccco2)o1)c1c(Cl)cccc1Br ZINC000509239488 1003646500 /nfs/dbraw/zinc/64/65/00/1003646500.db2.gz KFFAPMKVCRCNTR-UHFFFAOYSA-N 0 2 404.629 3.546 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2ccc(-c3cncnc3)cn2)c2ccccc12 ZINC000500549316 1003776471 /nfs/dbraw/zinc/77/64/71/1003776471.db2.gz WOYSKIDXHUDQOD-UHFFFAOYSA-N 0 2 406.467 3.891 20 0 HHADLN CO[C@@H]1CCC[C@H](Oc2ccnc(NS(=O)(=O)c3cc(C)ccc3Cl)n2)C1 ZINC000500569281 1003789372 /nfs/dbraw/zinc/78/93/72/1003789372.db2.gz QHVUPGNZYVTNRB-KGLIPLIRSA-N 0 2 411.911 3.576 20 0 HHADLN CO[C@H]1CCC[C@H](Oc2ccnc(NS(=O)(=O)c3cccc(C)c3Cl)n2)C1 ZINC000500572686 1003790841 /nfs/dbraw/zinc/79/08/41/1003790841.db2.gz QWZWRHFWFBPRTL-KBPBESRZSA-N 0 2 411.911 3.576 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2ccc(Br)c3cccnc23)c1 ZINC000509376495 1003805186 /nfs/dbraw/zinc/80/51/86/1003805186.db2.gz RPKCRVZHRHVCCU-UHFFFAOYSA-N 0 2 423.288 3.815 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1cc(-c2ccc(OC)nc2)ccc1C ZINC000509377885 1003807679 /nfs/dbraw/zinc/80/76/79/1003807679.db2.gz ZNHPWVMUQLEGGZ-UHFFFAOYSA-N 0 2 418.496 3.715 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NCc3ccc(-c4ccncc4)cc3)=N2)cc1 ZINC000500602060 1003816811 /nfs/dbraw/zinc/81/68/11/1003816811.db2.gz NHXGKMRKZCZPQQ-UHFFFAOYSA-N 0 2 400.438 3.579 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)c(F)c1 ZINC000509397442 1003828282 /nfs/dbraw/zinc/82/82/82/1003828282.db2.gz UKVUMLJSZRJASS-UHFFFAOYSA-N 0 2 402.850 3.564 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)c3cccnc23)cc1 ZINC000509397644 1003829320 /nfs/dbraw/zinc/82/93/20/1003829320.db2.gz WAFRQIJYAIGLHT-UHFFFAOYSA-N 0 2 421.272 3.585 20 0 HHADLN CC(C)OC(=O)C[C@@H](NS(=O)(=O)c1c(F)c(F)cc(F)c1F)c1ccccc1 ZINC000509400352 1003832579 /nfs/dbraw/zinc/83/25/79/1003832579.db2.gz LJGBZOMDWVCWQI-CQSZACIVSA-N 0 2 419.396 3.604 20 0 HHADLN CC1CCC(N(C[C@@H]2CCCO2)C(=O)C2=NN(c3ccc(F)cc3)CC2=O)CC1 ZINC000500668176 1003880368 /nfs/dbraw/zinc/88/03/68/1003880368.db2.gz NHIDZTXEDVEPLM-KVWWFHCMSA-N 0 2 401.482 3.917 20 0 HHADLN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)C1 ZINC000511958445 1003920400 /nfs/dbraw/zinc/92/04/00/1003920400.db2.gz AMYLTMYNGLUKJN-JSGCOSHPSA-N 0 2 406.939 3.504 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(Oc3cnccn3)c2)c(Cl)c1 ZINC000509540826 1003933568 /nfs/dbraw/zinc/93/35/68/1003933568.db2.gz PJRPNRKUGMIRQQ-UHFFFAOYSA-N 0 2 419.846 3.510 20 0 HHADLN O=S(=O)(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cnn(Cc2ccccc2)c1 ZINC000509558776 1003944835 /nfs/dbraw/zinc/94/48/35/1003944835.db2.gz OACAVCQJLZTVSA-UHFFFAOYSA-N 0 2 411.483 3.774 20 0 HHADLN CC(=O)Nc1cc(F)c(F)cc1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000509573023 1003953700 /nfs/dbraw/zinc/95/37/00/1003953700.db2.gz WGDCXFJIFVJRIS-UHFFFAOYSA-N 0 2 410.320 3.623 20 0 HHADLN CN(C(=O)Cc1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1)c1ccccc1 ZINC000509585159 1003961852 /nfs/dbraw/zinc/96/18/52/1003961852.db2.gz NEKOBYFLFBVMHV-UHFFFAOYSA-N 0 2 416.449 3.971 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cc(NC(=O)C2CC2)ccc1C ZINC000509615935 1003982432 /nfs/dbraw/zinc/98/24/32/1003982432.db2.gz DZLUOOYDNWQSKL-UHFFFAOYSA-N 0 2 422.890 3.584 20 0 HHADLN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2nc(C3CC3)cs2)c1 ZINC000500872751 1004019220 /nfs/dbraw/zinc/01/92/20/1004019220.db2.gz AVGCYQWEZKMFLX-UHFFFAOYSA-N 0 2 402.339 3.650 20 0 HHADLN CO[C@@H](C)c1nc(=NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)s[n-]1 ZINC000509679668 1004025134 /nfs/dbraw/zinc/02/51/34/1004025134.db2.gz OYIZHSYGLIPQRZ-YOEHRIQHSA-N 0 2 400.573 3.940 20 0 HHADLN CO[C@@H](C)c1nc(=NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)s[n-]1 ZINC000509679668 1004025144 /nfs/dbraw/zinc/02/51/44/1004025144.db2.gz OYIZHSYGLIPQRZ-YOEHRIQHSA-N 0 2 400.573 3.940 20 0 HHADLN Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000500919671 1004051864 /nfs/dbraw/zinc/05/18/64/1004051864.db2.gz AXWSQAUARJBDJG-CYBMUJFWSA-N 0 2 413.478 3.618 20 0 HHADLN C[C@@H](CC(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1)C1CCCCC1 ZINC000512220424 1004121166 /nfs/dbraw/zinc/12/11/66/1004121166.db2.gz DOHVXEMHDLEILR-ZDUSSCGKSA-N 0 2 408.549 3.884 20 0 HHADLN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)ns2)cc1 ZINC000512347949 1004236584 /nfs/dbraw/zinc/23/65/84/1004236584.db2.gz MYVZIGLSKBJUOZ-UHFFFAOYSA-N 0 2 421.931 3.920 20 0 HHADLN CC[C@@H]1CN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)C[C@H](C)[S@]1=O ZINC000512422316 1004287958 /nfs/dbraw/zinc/28/79/58/1004287958.db2.gz ZCRFFBOPCSKVRX-WRWNQGMGSA-N 0 2 419.547 3.522 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2C)c1Cl ZINC000510105114 1004327367 /nfs/dbraw/zinc/32/73/67/1004327367.db2.gz LAWZMXGLQYTQBD-UHFFFAOYSA-N 0 2 408.328 3.815 20 0 HHADLN CCOC(=O)[C@@H]1CCCCN1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 ZINC000510291501 1004455889 /nfs/dbraw/zinc/45/58/89/1004455889.db2.gz ZPSYCDWHSCASHB-INIZCTEOSA-N 0 2 415.490 3.708 20 0 HHADLN CCN(CC)c1ncc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)s1 ZINC000512657411 1004467834 /nfs/dbraw/zinc/46/78/34/1004467834.db2.gz CGKCYUGVMFBUGZ-UHFFFAOYSA-N 0 2 423.589 3.859 20 0 HHADLN O=S(=O)(Nc1nccs1)c1cccc(NCc2cc(-c3ccccc3)n[nH]2)c1 ZINC000512662757 1004473208 /nfs/dbraw/zinc/47/32/08/1004473208.db2.gz AEDSKPHPOMPHEA-UHFFFAOYSA-N 0 2 411.512 3.946 20 0 HHADLN CN1c2ccc(S(=O)(=O)Nc3ccccc3OC(F)F)c3cccc(c23)C1=O ZINC000512794955 1004562719 /nfs/dbraw/zinc/56/27/19/1004562719.db2.gz LOWZRRCOAZVGJO-UHFFFAOYSA-N 0 2 404.394 3.832 20 0 HHADLN CC(C)C[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cnn(Cc4ccccc4)c3)c2C1 ZINC000512945641 1004715582 /nfs/dbraw/zinc/71/55/82/1004715582.db2.gz UUHYRFXJVPVDRQ-UHFFFAOYSA-N 0 2 410.543 3.704 20 0 HHADLN CC(C)C[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cnn(Cc4ccccc4)c3)c2C1 ZINC000512945641 1004715589 /nfs/dbraw/zinc/71/55/89/1004715589.db2.gz UUHYRFXJVPVDRQ-UHFFFAOYSA-N 0 2 410.543 3.704 20 0 HHADLN COC(=O)c1csc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c1 ZINC000501821772 1004758155 /nfs/dbraw/zinc/75/81/55/1004758155.db2.gz LYRXHWBGRIRGLP-UHFFFAOYSA-N 0 2 408.432 3.662 20 0 HHADLN CC(C)c1nc([C@H]2CCCCCN2C(=O)C2=NN(c3ccc(F)cc3)CC2=O)no1 ZINC000501860195 1004782216 /nfs/dbraw/zinc/78/22/16/1004782216.db2.gz LMUQQGXGIUNGQP-MRXNPFEDSA-N 0 2 413.453 3.981 20 0 HHADLN O=C(CSCc1cc(=O)n2ccsc2n1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000501976707 1004841871 /nfs/dbraw/zinc/84/18/71/1004841871.db2.gz GOHZXXDYDVTGJB-UHFFFAOYSA-N 0 2 416.311 3.640 20 0 HHADLN O=C(CCS(=O)(=O)c1ccc2c(c1)CCC2)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000501984807 1004846206 /nfs/dbraw/zinc/84/62/06/1004846206.db2.gz MVDQJCPQCBRETR-UHFFFAOYSA-N 0 2 414.310 3.990 20 0 HHADLN CCc1cccc(CC)c1-n1c(SCc2n[nH]c(=O)[nH]2)nnc1-c1cccnc1 ZINC000513257463 1004882398 /nfs/dbraw/zinc/88/23/98/1004882398.db2.gz QWTLLTFNKDDHHQ-UHFFFAOYSA-N 0 2 407.503 3.570 20 0 HHADLN CC[C@H](c1ccccc1OC)N(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000502166211 1004934068 /nfs/dbraw/zinc/93/40/68/1004934068.db2.gz KSJRCWJFYQGLDV-GOSISDBHSA-N 0 2 409.490 3.685 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NCC(F)(F)c1ccc(Cl)cc1 ZINC000502185964 1004945302 /nfs/dbraw/zinc/94/53/02/1004945302.db2.gz LZUMWALMPPGFMQ-UHFFFAOYSA-N 0 2 421.835 3.628 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cccc(C)c2F)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC000513443452 1004968675 /nfs/dbraw/zinc/96/86/75/1004968675.db2.gz OKRGSTFEKXSDPE-UHFFFAOYSA-N 0 2 414.384 3.843 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)c1F ZINC000513451033 1004972565 /nfs/dbraw/zinc/97/25/65/1004972565.db2.gz FEQUEGIZJXDAKU-UHFFFAOYSA-N 0 2 423.462 3.907 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cnc(N2CCCC[C@H]2C)c(C)c1 ZINC000502398818 1005056845 /nfs/dbraw/zinc/05/68/45/1005056845.db2.gz MEPNPOUXBJDONA-CQSZACIVSA-N 0 2 421.519 3.512 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cnc(N2CCCC[C@@H]2C)c(C)c1 ZINC000502398816 1005056890 /nfs/dbraw/zinc/05/68/90/1005056890.db2.gz MEPNPOUXBJDONA-AWEZNQCLSA-N 0 2 421.519 3.512 20 0 HHADLN O=S(=O)(Nc1cccnc1Nc1ccccc1)c1cncc(Br)c1 ZINC000502424335 1005070980 /nfs/dbraw/zinc/07/09/80/1005070980.db2.gz JUMGYWSCBPPYBB-UHFFFAOYSA-N 0 2 405.277 3.784 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2cccc([C@@H](C)OC)c2)c1 ZINC000502812294 1005228046 /nfs/dbraw/zinc/22/80/46/1005228046.db2.gz FJBMQSIZERFECC-GFCCVEGCSA-N 0 2 411.451 3.519 20 0 HHADLN O=S(=O)(Nc1ccccc1)c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1 ZINC000511617634 1005246096 /nfs/dbraw/zinc/24/60/96/1005246096.db2.gz NFAYCGAUNJILTQ-UHFFFAOYSA-N 0 2 424.450 3.566 20 0 HHADLN Cc1sc(Br)cc1S(=O)(=O)Nc1cccc2c1OCCC2=O ZINC000504042340 1005539162 /nfs/dbraw/zinc/53/91/62/1005539162.db2.gz MBVXLHKTIJRZMV-UHFFFAOYSA-N 0 2 402.291 3.585 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2cccc(SC)c2C)c1 ZINC000504056814 1005542248 /nfs/dbraw/zinc/54/22/48/1005542248.db2.gz KJSFGYIJSKRWMY-UHFFFAOYSA-N 0 2 413.492 3.842 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)ccc1Br ZINC000531105657 1005996737 /nfs/dbraw/zinc/99/67/37/1005996737.db2.gz PNWYXWJKHGBGBV-UHFFFAOYSA-N 0 2 420.288 3.716 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2c(-c3ccco3)nc3ccccn32)c2cccnc12 ZINC000531279563 1006090176 /nfs/dbraw/zinc/09/01/76/1006090176.db2.gz YFUCBFKIGGOFSW-UHFFFAOYSA-N 0 2 420.450 3.952 20 0 HHADLN CCOC(=O)C[C@@H](NC(=O)N=c1nc(-c2ccccc2)[nH]s1)c1ccc(F)cc1 ZINC000531342011 1006135688 /nfs/dbraw/zinc/13/56/88/1006135688.db2.gz HJUQGJIEVKSOFO-MRXNPFEDSA-N 0 2 414.462 3.582 20 0 HHADLN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)Nc1nc(C(C)(C)C)cs1 ZINC000514829557 1006159663 /nfs/dbraw/zinc/15/96/63/1006159663.db2.gz GLLODPDLTHQDRE-UHFFFAOYSA-N 0 2 417.940 3.862 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(-c4ccccc4)c(C)[nH]c3=O)s[nH]2)c1 ZINC000531419747 1006184369 /nfs/dbraw/zinc/18/43/69/1006184369.db2.gz RFVHDKKWUNAQCZ-UHFFFAOYSA-N 0 2 418.478 3.964 20 0 HHADLN COC(=O)Cc1ccc(S(=O)(=O)Nc2cc(-c3cc(C)c(C)cc3C)n[nH]2)cc1 ZINC000531496586 1006233194 /nfs/dbraw/zinc/23/31/94/1006233194.db2.gz XXOIPFZMFUXNOQ-UHFFFAOYSA-N 0 2 413.499 3.518 20 0 HHADLN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cccc3c(OC)ccnc23)cc1 ZINC000534317230 1006295763 /nfs/dbraw/zinc/29/57/63/1006295763.db2.gz QPRYNQWXAVEIGH-UHFFFAOYSA-N 0 2 413.499 3.526 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2cc(OC)ccc2Cl)sc1C(C)C ZINC000515327401 1006398374 /nfs/dbraw/zinc/39/83/74/1006398374.db2.gz QCCANNGJFYXTNS-UHFFFAOYSA-N 0 2 404.897 3.516 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000534435651 1006411410 /nfs/dbraw/zinc/41/14/10/1006411410.db2.gz CNDNAFMDONSVER-UHFFFAOYSA-N 0 2 407.499 3.793 20 0 HHADLN CCOc1ccc(-c2nc(C(=O)N=c3nc(-c4cccnc4)[nH]s3)cs2)cc1 ZINC000534436618 1006412265 /nfs/dbraw/zinc/41/22/65/1006412265.db2.gz TVASTJODOKVFDT-UHFFFAOYSA-N 0 2 409.496 3.797 20 0 HHADLN O=C(CCCOc1cccc(Br)c1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000534439223 1006415904 /nfs/dbraw/zinc/41/59/04/1006415904.db2.gz NXDMCAWCUKDFSW-UHFFFAOYSA-N 0 2 419.304 3.582 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N3CCC(C(=O)c4cc(F)ccc4F)CC3)c[nH]c2n1 ZINC000515422599 1006455503 /nfs/dbraw/zinc/45/55/03/1006455503.db2.gz NBQFANGODLNMEX-UHFFFAOYSA-N 0 2 411.408 3.657 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c(F)c1 ZINC000515541405 1006525735 /nfs/dbraw/zinc/52/57/35/1006525735.db2.gz KIKCOEYZWAPTBV-UHFFFAOYSA-N 0 2 424.450 3.600 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc3c(c2)C(=O)CCC3)cc(-c2ccc(F)cc2)n1 ZINC000515629160 1006566938 /nfs/dbraw/zinc/56/69/38/1006566938.db2.gz DOOGVHWKVLCNIS-UHFFFAOYSA-N 0 2 411.458 3.911 20 0 HHADLN O=S(=O)(Nc1cnn(-c2cnc3ccccc3n2)c1)c1cccc(C(F)(F)F)c1 ZINC000534621042 1006601756 /nfs/dbraw/zinc/60/17/56/1006601756.db2.gz FCUKTQFUYCZFDT-UHFFFAOYSA-N 0 2 419.388 3.635 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccc4c(Cl)ccc(C)c4n3)cc21 ZINC000538367754 1006638376 /nfs/dbraw/zinc/63/83/76/1006638376.db2.gz OHEPSKWZEWOYBB-UHFFFAOYSA-N 0 2 415.902 3.906 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3nc(Cc4ccccc4)cs3)cnc2c1Cl ZINC000538371357 1006642648 /nfs/dbraw/zinc/64/26/48/1006642648.db2.gz OVDDJMBFFIEJKU-UHFFFAOYSA-N 0 2 419.919 3.539 20 0 HHADLN Cc1ccc(-c2noc([C@@H](C)S(=O)(=O)c3n[nH]c(-c4ccccc4)n3)n2)cc1F ZINC000515766220 1006656461 /nfs/dbraw/zinc/65/64/61/1006656461.db2.gz JBVMWAICGNNNEX-GFCCVEGCSA-N 0 2 413.434 3.504 20 0 HHADLN CC(C)C(=O)Nc1ccc(F)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 ZINC000515816126 1006694473 /nfs/dbraw/zinc/69/44/73/1006694473.db2.gz BCLUYRZSQHCFKP-UHFFFAOYSA-N 0 2 415.284 3.984 20 0 HHADLN CNC(=O)c1cc(Oc2cc(C)ccc2NS(=O)(=O)c2cc(C)oc2C)ccn1 ZINC000538447776 1006714988 /nfs/dbraw/zinc/71/49/88/1006714988.db2.gz GVFFXKUSKMKZSQ-UHFFFAOYSA-N 0 2 415.471 3.553 20 0 HHADLN COC(=O)c1nccc2c1cccc2S(=O)(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000538453589 1006722795 /nfs/dbraw/zinc/72/27/95/1006722795.db2.gz XDODVVDWTJIKJY-UHFFFAOYSA-N 0 2 419.528 3.867 20 0 HHADLN COc1ccnc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 ZINC000534793059 1006796646 /nfs/dbraw/zinc/79/66/46/1006796646.db2.gz NHEYUEHVMUGLAU-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN Cc1n[nH]c([C@H]2CCC[N@H+](CC(=O)N(C)[C@@H](c3ccccc3)c3ccc(F)cc3)C2)n1 ZINC000538665364 1006948263 /nfs/dbraw/zinc/94/82/63/1006948263.db2.gz YVYDZYIAWURUHJ-REWPJTCUSA-N 0 2 421.520 3.680 20 0 HHADLN CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000534938093 1006977142 /nfs/dbraw/zinc/97/71/42/1006977142.db2.gz FDDOTOMOMZTDQU-CQSZACIVSA-N 0 2 405.470 3.608 20 0 HHADLN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2ncccc2-c2ccccc2)c1 ZINC000538848248 1007121488 /nfs/dbraw/zinc/12/14/88/1007121488.db2.gz IRWGLOVXFNAQJZ-UHFFFAOYSA-N 0 2 416.524 3.570 20 0 HHADLN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1csc([C@@H]2CCCO2)n1 ZINC000535168803 1007211247 /nfs/dbraw/zinc/21/12/47/1007211247.db2.gz RQLALGAHTWQAQJ-LBPRGKRZSA-N 0 2 420.292 3.795 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2cccc3c2CN(c2ccccn2)C3)cc1F ZINC000535229134 1007281705 /nfs/dbraw/zinc/28/17/05/1007281705.db2.gz GJLOUVNZYLXDFZ-UHFFFAOYSA-N 0 2 401.438 3.989 20 0 HHADLN CN(CCc1nc(-c2ccccc2)no1)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000516858643 1007323419 /nfs/dbraw/zinc/32/34/19/1007323419.db2.gz RONHDZRJYCCVFR-UHFFFAOYSA-N 0 2 423.860 3.596 20 0 HHADLN O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000535326630 1007379843 /nfs/dbraw/zinc/37/98/43/1007379843.db2.gz LZQXOLVNCGIALG-NRFANRHFSA-N 0 2 413.525 3.998 20 0 HHADLN CO[C@@H](C)c1cccc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)c1 ZINC000517159323 1007469627 /nfs/dbraw/zinc/46/96/27/1007469627.db2.gz ULYOXFKCVCUFOA-JTQLQIEISA-N 0 2 400.859 3.946 20 0 HHADLN Cc1cc2cccnc2c(NS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)c1 ZINC000539194989 1007492856 /nfs/dbraw/zinc/49/28/56/1007492856.db2.gz XCNMDQLTGSWZNC-UHFFFAOYSA-N 0 2 424.931 3.542 20 0 HHADLN C[C@H](C(=O)Nc1ccc(NC(=O)c2cccs2)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000539220105 1007511127 /nfs/dbraw/zinc/51/11/27/1007511127.db2.gz GMILQUGMCAEHQS-MRXNPFEDSA-N 0 2 411.531 3.546 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)cnn1-c1ccccn1 ZINC000535506803 1007562890 /nfs/dbraw/zinc/56/28/90/1007562890.db2.gz GZOGQQLTIMQUKJ-UHFFFAOYSA-N 0 2 424.530 3.561 20 0 HHADLN Cc1c(S(=O)(=O)[N-]c2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)cnn1-c1ccccn1 ZINC000535506803 1007562898 /nfs/dbraw/zinc/56/28/98/1007562898.db2.gz GZOGQQLTIMQUKJ-UHFFFAOYSA-N 0 2 424.530 3.561 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(C(=O)OC(C)(C)C)c(C)c1 ZINC000535617636 1007622165 /nfs/dbraw/zinc/62/21/65/1007622165.db2.gz PQJPWSBIWIFGDT-UHFFFAOYSA-N 0 2 411.501 3.599 20 0 HHADLN Cc1c(C(=O)N=c2nc(-c3ccsc3)[nH]s2)cnn1-c1ccc(F)cc1F ZINC000517553837 1007766049 /nfs/dbraw/zinc/76/60/49/1007766049.db2.gz BEULPPDMXHYECI-UHFFFAOYSA-N 0 2 403.439 3.713 20 0 HHADLN O=S(=O)(Nc1ccc(OCc2ccccc2)nc1)c1cnn(Cc2ccccc2)c1 ZINC000533466603 1007777134 /nfs/dbraw/zinc/77/71/34/1007777134.db2.gz YHLOYEIWFULQCX-UHFFFAOYSA-N 0 2 420.494 3.706 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c(C)o1 ZINC000539547281 1007858689 /nfs/dbraw/zinc/85/86/89/1007858689.db2.gz CPXFKYGSEJARAA-UHFFFAOYSA-N 0 2 403.529 3.712 20 0 HHADLN O=C(COc1ccc2oc3c(c2c1)CCCC3)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535927279 1007949633 /nfs/dbraw/zinc/94/96/33/1007949633.db2.gz CBYZBCVGXLWJON-UHFFFAOYSA-N 0 2 406.467 3.665 20 0 HHADLN CC(=O)N1CCCC[C@@H]1C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000533761330 1008087061 /nfs/dbraw/zinc/08/70/61/1008087061.db2.gz NDVUEKSMBJJBTQ-LJQANCHMSA-N 0 2 422.510 3.759 20 0 HHADLN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)s1 ZINC000539854639 1008142311 /nfs/dbraw/zinc/14/23/11/1008142311.db2.gz CKBCBQZLYSDWIT-UHFFFAOYSA-N 0 2 423.585 3.863 20 0 HHADLN COC(=O)c1cccc(CS(=O)(=O)Nc2ncc(Cc3ccccc3F)s2)c1 ZINC000540204573 1008334866 /nfs/dbraw/zinc/33/48/66/1008334866.db2.gz HXNYHYIFEWQREQ-UHFFFAOYSA-N 0 2 420.487 3.602 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cn(C)nc2-c2ccccc2)cc1Cl ZINC000540211261 1008337600 /nfs/dbraw/zinc/33/76/00/1008337600.db2.gz LPMXUPPZFKBDAU-UHFFFAOYSA-N 0 2 422.869 3.639 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cccc(-c3nccn3C)c2)cc1Cl ZINC000518704259 1008398300 /nfs/dbraw/zinc/39/83/00/1008398300.db2.gz BZJYHAGOKNORQS-UHFFFAOYSA-N 0 2 422.869 3.639 20 0 HHADLN O=S(=O)(Nc1ccc(-n2ccnc2)c(F)c1)c1cc(Br)ccc1F ZINC000518883110 1008458578 /nfs/dbraw/zinc/45/85/78/1008458578.db2.gz WOJUJMBBQWQGBL-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1cc(F)ccc1N1CCOCC1 ZINC000518901285 1008466057 /nfs/dbraw/zinc/46/60/57/1008466057.db2.gz DIEJTYGWZUZSIA-UHFFFAOYSA-N 0 2 418.881 3.508 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccccc2-c2ccno2)cnn1-c1cc(C)ccn1 ZINC000545472178 1008579416 /nfs/dbraw/zinc/57/94/16/1008579416.db2.gz HALLGULXKFDQAL-UHFFFAOYSA-N 0 2 423.498 3.984 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)cc1Cl ZINC000519217537 1008622672 /nfs/dbraw/zinc/62/26/72/1008622672.db2.gz MRUVCTUOEARBPK-UHFFFAOYSA-N 0 2 409.826 3.893 20 0 HHADLN O=S(=O)(Nc1ccnn1-c1ccc(Cl)cc1)c1ccc(OCC(F)F)cc1 ZINC000543148366 1008722325 /nfs/dbraw/zinc/72/23/25/1008722325.db2.gz QTEIEILSRJLZMZ-UHFFFAOYSA-N 0 2 413.833 3.970 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)c2cccnc12 ZINC000519374336 1008771636 /nfs/dbraw/zinc/77/16/36/1008771636.db2.gz UWZZAFDRCZSOPW-GOSISDBHSA-N 0 2 424.482 3.772 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc3nc([C@@H]4CCCO4)[nH]c3c2)c2cccnc12 ZINC000519374337 1008772061 /nfs/dbraw/zinc/77/20/61/1008772061.db2.gz UWZZAFDRCZSOPW-SFHVURJKSA-N 0 2 424.482 3.772 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3nnc(CC4CCCCC4)s3)cc12 ZINC000545857806 1008945083 /nfs/dbraw/zinc/94/50/83/1008945083.db2.gz SANRECASSKLTLN-UHFFFAOYSA-N 0 2 407.521 3.560 20 0 HHADLN O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000545911172 1008991652 /nfs/dbraw/zinc/99/16/52/1008991652.db2.gz XEDQQYDFJBJBGW-UHFFFAOYSA-N 0 2 415.240 3.609 20 0 HHADLN COc1ccc(C)cc1-n1ccc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)n1 ZINC000519953706 1009101670 /nfs/dbraw/zinc/10/16/70/1009101670.db2.gz GRPMYZLHZXZQQA-UHFFFAOYSA-N 0 2 408.849 3.880 20 0 HHADLN C[C@H](C(F)(F)F)S(=O)(=O)NCC1(c2cccc(Br)c2)CCC1 ZINC000546093131 1009117661 /nfs/dbraw/zinc/11/76/61/1009117661.db2.gz PZWYJRKOVXXZGS-SNVBAGLBSA-N 0 2 400.260 3.741 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](C)COc3ccc(F)cc3F)s[nH]2)c1 ZINC000543616607 1009221881 /nfs/dbraw/zinc/22/18/81/1009221881.db2.gz LKPJHVGIJQVCIQ-NSHDSACASA-N 0 2 420.441 3.503 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCc3ncoc3-c3ccccc3)s[nH]2)c1 ZINC000543617189 1009223029 /nfs/dbraw/zinc/22/30/29/1009223029.db2.gz UOEKKXOZDRJAIQ-UHFFFAOYSA-N 0 2 407.455 3.612 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)cc1Cl ZINC000543649149 1009253433 /nfs/dbraw/zinc/25/34/33/1009253433.db2.gz PCKJJMHRRGANIM-UHFFFAOYSA-N 0 2 410.662 3.940 20 0 HHADLN O=C(CCCNC(=O)c1ccc(F)cc1)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000520099024 1009257292 /nfs/dbraw/zinc/25/72/92/1009257292.db2.gz ODRZOUHSHRDLDW-UHFFFAOYSA-N 0 2 418.881 3.568 20 0 HHADLN Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000543656025 1009261829 /nfs/dbraw/zinc/26/18/29/1009261829.db2.gz KPZLNPMKOALFDL-AWEZNQCLSA-N 0 2 402.911 3.989 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(C(C)=O)c(Cl)c2)cn1 ZINC000543951630 1009551471 /nfs/dbraw/zinc/55/14/71/1009551471.db2.gz KFJHYLGJOSHDCM-UHFFFAOYSA-N 0 2 405.863 3.538 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3N(C)C)cc12 ZINC000546539210 1009561331 /nfs/dbraw/zinc/56/13/31/1009561331.db2.gz VEVYVRXLERMLAB-UHFFFAOYSA-N 0 2 414.409 3.671 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3nnc(-c4cc(C)cc(C)c4)s3)cc12 ZINC000546567643 1009590229 /nfs/dbraw/zinc/59/02/29/1009590229.db2.gz FRHVOOJHORULGZ-UHFFFAOYSA-N 0 2 415.500 3.721 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(CCc3ccccc3C)n[nH]2)ccc1C ZINC000544078519 1009683975 /nfs/dbraw/zinc/68/39/75/1009683975.db2.gz JWHMIQRASMBPQT-UHFFFAOYSA-N 0 2 412.515 3.571 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c(F)c1 ZINC000520627249 1009703956 /nfs/dbraw/zinc/70/39/56/1009703956.db2.gz HGQKBTOFTQZQJM-UHFFFAOYSA-N 0 2 400.479 3.920 20 0 HHADLN O=C(c1ccccc1OCc1ccccc1Cl)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000550183847 1009760126 /nfs/dbraw/zinc/76/01/26/1009760126.db2.gz NHPDEZZWQAUNMF-AWEZNQCLSA-N 0 2 412.877 3.763 20 0 HHADLN C[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC1(C)C ZINC000546853357 1009815281 /nfs/dbraw/zinc/81/52/81/1009815281.db2.gz QEEGZERUUCXTAL-ZDUSSCGKSA-N 0 2 408.549 3.844 20 0 HHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000546859874 1009821747 /nfs/dbraw/zinc/82/17/47/1009821747.db2.gz RJLAKHNYFGWQGE-CQSZACIVSA-N 0 2 423.252 3.671 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1OC(C)C ZINC000546887289 1009846339 /nfs/dbraw/zinc/84/63/39/1009846339.db2.gz OKEBESOZPYQFFM-UHFFFAOYSA-N 0 2 405.451 3.608 20 0 HHADLN Cc1ccc(Cl)cc1S(=O)(=O)Nc1nc(CN2C[C@@H](C)O[C@H](C)C2)cs1 ZINC000550832643 1010207439 /nfs/dbraw/zinc/20/74/39/1010207439.db2.gz YZMTVZMSLJAKOQ-CHWSQXEVSA-N 0 2 415.968 3.515 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC[C@H](Nc4ccccc4)C3)s[nH]2)c1 ZINC000544590245 1010216799 /nfs/dbraw/zinc/21/67/99/1010216799.db2.gz HXBURUPGKCIBKK-KRWDZBQOSA-N 0 2 409.515 3.744 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCSC[C@@H]3c3ccccc3)s[nH]2)c1 ZINC000544591226 1010217692 /nfs/dbraw/zinc/21/76/92/1010217692.db2.gz SUTQAZHTUQPGRA-QGZVFWFLSA-N 0 2 412.540 3.958 20 0 HHADLN COCCOc1cccc(NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c1 ZINC000544635279 1010257918 /nfs/dbraw/zinc/25/79/18/1010257918.db2.gz JVWDRGMECTUYQV-UHFFFAOYSA-N 0 2 404.879 3.950 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCO[C@H](Cc2ccccc2)C1 ZINC000544634960 1010258029 /nfs/dbraw/zinc/25/80/29/1010258029.db2.gz DARZANLYKPSIGI-QGZVFWFLSA-N 0 2 414.918 3.756 20 0 HHADLN C[C@@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccc([S@](C)=O)cc1 ZINC000544634952 1010258074 /nfs/dbraw/zinc/25/80/74/1010258074.db2.gz CWXWPLYCZDJXIX-LUGWNYHVSA-N 0 2 420.947 3.901 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000544635389 1010259023 /nfs/dbraw/zinc/25/90/23/1010259023.db2.gz JEZLNKUTVPXXOQ-CVEARBPZSA-N 0 2 400.891 3.932 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCO[C@H](c2ccsc2)C1 ZINC000544638846 1010263129 /nfs/dbraw/zinc/26/31/29/1010263129.db2.gz QKCNRKYCSOHZDQ-AWEZNQCLSA-N 0 2 406.920 3.947 20 0 HHADLN C[C@H]1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)C[C@@H]1n1ccnc1 ZINC000544638533 1010263247 /nfs/dbraw/zinc/26/32/47/1010263247.db2.gz BPFZYVQQZXBFBM-WFASDCNBSA-N 0 2 402.911 3.592 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCC[C@H](OCC(F)(F)F)C1 ZINC000544638994 1010263997 /nfs/dbraw/zinc/26/39/97/1010263997.db2.gz XHTBTVPJFOKMOP-JTQLQIEISA-N 0 2 420.844 3.856 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@H]1CCCC[C@@H]1n1cccn1 ZINC000544638983 1010264279 /nfs/dbraw/zinc/26/42/79/1010264279.db2.gz WUIROBTZTMVZAM-GJZGRUSLSA-N 0 2 402.911 3.782 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2Cl)o1)c1cc(Cl)ccc1F ZINC000551020190 1010321000 /nfs/dbraw/zinc/32/10/00/1010321000.db2.gz HTJOQOJKZVYLRR-UHFFFAOYSA-N 0 2 402.234 3.907 20 0 HHADLN Cn1cc(NS(=O)(=O)c2cccc(Br)c2Cl)c(C(F)(F)F)n1 ZINC000551117269 1010380764 /nfs/dbraw/zinc/38/07/64/1010380764.db2.gz XOGYYUPOPIGZAJ-UHFFFAOYSA-N 0 2 418.622 3.656 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCO[C@@H](c3ccc(F)cc3F)C2)=N1 ZINC000547672196 1010391696 /nfs/dbraw/zinc/39/16/96/1010391696.db2.gz DUTDXNJAYYZGQY-HXUWFJFHSA-N 0 2 413.424 3.632 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C)c1 ZINC000544816002 1010409128 /nfs/dbraw/zinc/40/91/28/1010409128.db2.gz PCFHAYMQUQAJGJ-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN Cn1ccnc1Sc1ccccc1NS(=O)(=O)c1ccccc1OC(F)F ZINC000521527372 1010439823 /nfs/dbraw/zinc/43/98/23/1010439823.db2.gz QTUKWRKXHDBUIB-UHFFFAOYSA-N 0 2 411.455 3.974 20 0 HHADLN Cc1ccnc2c1cccc2S(=O)(=O)Nc1cccc(Cl)c1N1CCOCC1 ZINC000547955425 1010482397 /nfs/dbraw/zinc/48/23/97/1010482397.db2.gz KWZUWYKBLQYCHK-UHFFFAOYSA-N 0 2 417.918 3.834 20 0 HHADLN O=C1CCCN1Cc1ccccc1-c1noc(-c2cccc(Br)c2O)n1 ZINC000544955402 1010517879 /nfs/dbraw/zinc/51/78/79/1010517879.db2.gz NXEHFCRGSXFTKP-UHFFFAOYSA-N 0 2 414.259 3.994 20 0 HHADLN Cc1ccccc1-c1cc(NC(=O)c2cccc(Br)c2O)n(CCO)n1 ZINC000521649452 1010523981 /nfs/dbraw/zinc/52/39/81/1010523981.db2.gz IFZJCYJCPPGIOT-UHFFFAOYSA-N 0 2 416.275 3.571 20 0 HHADLN O=C1C[C@H](c2noc(-c3cccc(Br)c3O)n2)CN1c1ccccc1 ZINC000544972684 1010529420 /nfs/dbraw/zinc/52/94/20/1010529420.db2.gz OQRVEVKQZSGYAM-NSHDSACASA-N 0 2 400.232 3.725 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(F)cc2F)n(-c2nc3ccccc3s2)n1 ZINC000551403548 1010564062 /nfs/dbraw/zinc/56/40/62/1010564062.db2.gz RSOQWBCYPZGNEL-UHFFFAOYSA-N 0 2 406.439 3.869 20 0 HHADLN O=C([O-])[C@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)c1c(F)cccc1F ZINC000551420663 1010576496 /nfs/dbraw/zinc/57/64/96/1010576496.db2.gz KDDQNKRQVNLSFO-QGZVFWFLSA-N 0 2 422.229 3.829 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2scnc2C2CC2)cc1C(F)(F)F ZINC000551469816 1010606222 /nfs/dbraw/zinc/60/62/22/1010606222.db2.gz HPRNIMJILQXRAX-UHFFFAOYSA-N 0 2 406.407 3.627 20 0 HHADLN Cc1cc(-c2csc(NS(=O)(=O)CCC3CC3)n2)c(C)n1C[C@H]1CCCO1 ZINC000545149829 1010648983 /nfs/dbraw/zinc/64/89/83/1010648983.db2.gz SZJUVUFKNPKNRV-MRXNPFEDSA-N 0 2 409.577 3.949 20 0 HHADLN COC(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000521895678 1010693151 /nfs/dbraw/zinc/69/31/51/1010693151.db2.gz JQUNOSWTHSWKMH-UHFFFAOYSA-N 0 2 412.870 3.667 20 0 HHADLN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N=c3nc(-c4ccsc4)[nH]s3)n2)n1 ZINC000521904768 1010698951 /nfs/dbraw/zinc/69/89/51/1010698951.db2.gz CTGHFXXHFHQCBK-UHFFFAOYSA-N 0 2 416.919 3.792 20 0 HHADLN CCOCCOc1ccccc1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000521930242 1010719475 /nfs/dbraw/zinc/71/94/75/1010719475.db2.gz GIELZUFJPXKAPD-UHFFFAOYSA-N 0 2 403.891 3.948 20 0 HHADLN O=C(Nc1ccc(F)cc1NS(=O)(=O)c1cccc2cccnc21)c1ccccn1 ZINC000522473909 1011034410 /nfs/dbraw/zinc/03/44/10/1011034410.db2.gz SOOYXZKJLDOMIW-UHFFFAOYSA-N 0 2 422.441 3.822 20 0 HHADLN C[C@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccc(Oc2ccccc2)cc1 ZINC000523002479 1011456532 /nfs/dbraw/zinc/45/65/32/1011456532.db2.gz NIWXTOHIGDMCOC-AWEZNQCLSA-N 0 2 424.526 3.866 20 0 HHADLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccnn3Cc3ccccc3F)cc(Cl)c2O1 ZINC000523044701 1011512487 /nfs/dbraw/zinc/51/24/87/1011512487.db2.gz AVSFPDNTEYDSBP-GFCCVEGCSA-N 0 2 421.881 3.848 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)ccc1F ZINC000523043833 1011513017 /nfs/dbraw/zinc/51/30/17/1011513017.db2.gz OQYIQWPPLDOPNX-UHFFFAOYSA-N 0 2 405.476 3.632 20 0 HHADLN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000540853493 1011521285 /nfs/dbraw/zinc/52/12/85/1011521285.db2.gz XHUMGDGBDIXLAR-MRVPVSSYSA-N 0 2 415.466 3.806 20 0 HHADLN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000540853494 1011521338 /nfs/dbraw/zinc/52/13/38/1011521338.db2.gz XHUMGDGBDIXLAR-QMMMGPOBSA-N 0 2 415.466 3.806 20 0 HHADLN CCOC(=O)c1cc(CC)sc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000540895684 1011570154 /nfs/dbraw/zinc/57/01/54/1011570154.db2.gz IUZBJTNZGCMWKK-UHFFFAOYSA-N 0 2 422.528 3.518 20 0 HHADLN CC[C@H](Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000540908233 1011578413 /nfs/dbraw/zinc/57/84/13/1011578413.db2.gz PMBDSTATBIZRMW-OAHLLOKOSA-N 0 2 416.528 3.546 20 0 HHADLN CC[C@@H](Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000540908232 1011578889 /nfs/dbraw/zinc/57/88/89/1011578889.db2.gz PMBDSTATBIZRMW-HNNXBMFYSA-N 0 2 416.528 3.546 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc(F)c(F)cc2F)ccc1OC1CCOCC1 ZINC000523121683 1011587454 /nfs/dbraw/zinc/58/74/54/1011587454.db2.gz OLMSSEHGVCKJNV-UHFFFAOYSA-N 0 2 401.406 3.771 20 0 HHADLN COC(=O)[C@@H](Cc1c[nH]c2cccc(Br)c12)Nc1nc(C(C)C)ns1 ZINC000536621620 1011778693 /nfs/dbraw/zinc/77/86/93/1011778693.db2.gz WFGYMPSBQFCTEB-CYBMUJFWSA-N 0 2 423.336 3.523 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)NCc3ccncc3)c2)sc1C ZINC000536896300 1012151272 /nfs/dbraw/zinc/15/12/72/1012151272.db2.gz ILEGBSUBWTZABD-UHFFFAOYSA-N 0 2 416.528 3.882 20 0 HHADLN Cc1nc(-c2ccccc2)c(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)s1 ZINC000536897029 1012152164 /nfs/dbraw/zinc/15/21/64/1012152164.db2.gz KMGZPJYXRJCQRE-UHFFFAOYSA-N 0 2 413.524 3.812 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc3n[nH]cc3c2)cc1 ZINC000523677094 1012276583 /nfs/dbraw/zinc/27/65/83/1012276583.db2.gz BGTMEJOCNBWRBI-UHFFFAOYSA-N 0 2 412.496 3.986 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cc(-c4ccccc4)nn3C(C)C)cc21 ZINC000523771274 1012408855 /nfs/dbraw/zinc/40/88/55/1012408855.db2.gz VYJCJXWQESTWKM-UHFFFAOYSA-N 0 2 424.526 3.841 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2cccc(CSC3CCOCC3)c2)c1 ZINC000537196364 1012612818 /nfs/dbraw/zinc/61/28/18/1012612818.db2.gz KYPKWOSBRBVVFZ-UHFFFAOYSA-N 0 2 409.529 3.614 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3Cc4ccccc4N(C)C[C@H]3C)s[nH]2)c1 ZINC000541762070 1012624944 /nfs/dbraw/zinc/62/49/44/1012624944.db2.gz OVHWEXPTANYXOK-CQSZACIVSA-N 0 2 409.515 3.508 20 0 HHADLN CC(C)n1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccccc1Cn1cncn1 ZINC000541783659 1012653974 /nfs/dbraw/zinc/65/39/74/1012653974.db2.gz LWWDCYPLCVDYRW-UHFFFAOYSA-N 0 2 422.514 3.572 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCCCCNc1ccccn1 ZINC000541795951 1012670607 /nfs/dbraw/zinc/67/06/07/1012670607.db2.gz AHQPYYIFCGHJMU-UHFFFAOYSA-N 0 2 402.911 3.689 20 0 HHADLN C[S@@](=O)C[C@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccccc1 ZINC000541796761 1012671964 /nfs/dbraw/zinc/67/19/64/1012671964.db2.gz OAEMUYMBKWRFEG-KUNJGFBQSA-N 0 2 420.947 3.522 20 0 HHADLN CC(=O)N(Cc1ccc(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)cc1)C(C)C ZINC000523956076 1012697850 /nfs/dbraw/zinc/69/78/50/1012697850.db2.gz XIMIUXQPAAAIBK-UHFFFAOYSA-N 0 2 406.552 3.639 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cnc(N2CCCC[C@@H]2C)c(C)c1 ZINC000541858494 1012740165 /nfs/dbraw/zinc/74/01/65/1012740165.db2.gz VWINPIYMNQBPHC-HNNXBMFYSA-N 0 2 405.568 3.964 20 0 HHADLN Cn1nc(C2CCCC2)cc1NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000541935974 1012796532 /nfs/dbraw/zinc/79/65/32/1012796532.db2.gz MGGPWSWBZOPELU-UHFFFAOYSA-N 0 2 404.536 3.863 20 0 HHADLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)c1 ZINC000524050435 1012801994 /nfs/dbraw/zinc/80/19/94/1012801994.db2.gz SDNCQABCQDITBZ-UHFFFAOYSA-N 0 2 416.402 3.609 20 0 HHADLN Cc1cccc(C2(CNC(=O)C(=O)N=c3nc(C(C)(C)C)[nH]s3)CCCCC2)c1 ZINC000524096939 1012869273 /nfs/dbraw/zinc/86/92/73/1012869273.db2.gz ZBMOKFSXRPCGHK-UHFFFAOYSA-N 0 2 414.575 3.523 20 0 HHADLN CC(C)n1cnnc1-c1ccccc1NS(=O)(=O)c1ccccc1-c1ccno1 ZINC000542009258 1012893268 /nfs/dbraw/zinc/89/32/68/1012893268.db2.gz XWKYYNWOILGJOG-UHFFFAOYSA-N 0 2 409.471 3.982 20 0 HHADLN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cnc2ccccc2c1 ZINC000553046554 1013021842 /nfs/dbraw/zinc/02/18/42/1013021842.db2.gz VBNXOWGFHWNSGO-UHFFFAOYSA-N 0 2 410.373 3.841 20 0 HHADLN C[C@@H](NC(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O)c1cccc(O)c1 ZINC000760606207 1072018120 /nfs/dbraw/zinc/01/81/20/1072018120.db2.gz HSIMPOPGVFTGPV-CYBMUJFWSA-N 0 2 421.478 3.523 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000488221944 1072136621 /nfs/dbraw/zinc/13/66/21/1072136621.db2.gz OEPQAJSJHRBNEG-AWEZNQCLSA-N 0 2 415.870 3.933 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)cc1O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000488235469 1072150696 /nfs/dbraw/zinc/15/06/96/1072150696.db2.gz RIALMTRDRMGIJW-LLVKDONJSA-N 0 2 418.298 3.915 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(C)c(C(F)(F)F)c2)c(OC)c1 ZINC000488247017 1072174249 /nfs/dbraw/zinc/17/42/49/1072174249.db2.gz AHIMADBGRBRHLG-UHFFFAOYSA-N 0 2 405.394 3.840 20 0 HHADLN CCOC(=O)c1cc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)ccc1Cl ZINC000612004629 1072202958 /nfs/dbraw/zinc/20/29/58/1072202958.db2.gz ZVTHHLBGOVGSDW-UHFFFAOYSA-N 0 2 413.927 3.787 20 0 HHADLN C[C@H]1CCN(C(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000911613383 1072213606 /nfs/dbraw/zinc/21/36/06/1072213606.db2.gz MEQQFQSJHULCMX-YHAQOWFVSA-N 0 2 411.251 3.840 20 0 HHADLN CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)[nH]n1 ZINC000760322872 1072247595 /nfs/dbraw/zinc/24/75/95/1072247595.db2.gz NXPACWYFCLDWCN-JTQLQIEISA-N 0 2 404.414 3.615 20 0 HHADLN COC(=O)c1nc(Cl)ccc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1C ZINC000760364165 1072280288 /nfs/dbraw/zinc/28/02/88/1072280288.db2.gz IMYRCWBZAFHMMN-UHFFFAOYSA-N 0 2 408.785 3.650 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(O)c3)ccc2F)cc1 ZINC000912949704 1072309662 /nfs/dbraw/zinc/30/96/62/1072309662.db2.gz KDUCALKECPWAOH-UHFFFAOYSA-N 0 2 416.430 3.593 20 0 HHADLN CC(C)(NC(=O)C(F)(F)F)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 ZINC000760488614 1072389865 /nfs/dbraw/zinc/38/98/65/1072389865.db2.gz SORNBXPCDDMKLA-UHFFFAOYSA-N 0 2 419.856 3.579 20 0 HHADLN CC(C)C(NC(=O)c1ccc(OCc2cccnc2)cc1)c1nnc2ccccn21 ZINC000586806532 1072430323 /nfs/dbraw/zinc/43/03/23/1072430323.db2.gz ZOJLJRXSYNOCOI-OAQYLSRUSA-N 0 2 401.470 3.830 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)[C@@H]1CC12CCOCC2 ZINC000571632385 1072686510 /nfs/dbraw/zinc/68/65/10/1072686510.db2.gz STPJPPIMQZHXIS-INIZCTEOSA-N 0 2 418.490 3.690 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2cc3c[nH]nc3cc2C)cn1 ZINC000479128285 1072737255 /nfs/dbraw/zinc/73/72/55/1072737255.db2.gz IWKARXGBJONYGG-UHFFFAOYSA-N 0 2 417.878 3.520 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1cnc2c(c1)CCCC2 ZINC000479129677 1072740397 /nfs/dbraw/zinc/74/03/97/1072740397.db2.gz BGVBEVRVVMDNDP-UHFFFAOYSA-N 0 2 410.923 3.830 20 0 HHADLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2ccc(F)cc2Br)n1 ZINC000479131612 1072742454 /nfs/dbraw/zinc/74/24/54/1072742454.db2.gz TUMBXJBWADTIIP-UHFFFAOYSA-N 0 2 400.273 3.619 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cc3cn[nH]c3cc2C)cc1Br ZINC000479134742 1072746770 /nfs/dbraw/zinc/74/67/70/1072746770.db2.gz ZRDRAXWDDGAAHU-UHFFFAOYSA-N 0 2 410.293 3.833 20 0 HHADLN COc1ccc(Br)cc1S(=O)(=O)Nc1nccc(-c2ccccc2)n1 ZINC000479136951 1072748835 /nfs/dbraw/zinc/74/88/35/1072748835.db2.gz LHVWUXYRDXQCHP-UHFFFAOYSA-N 0 2 420.288 3.716 20 0 HHADLN CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc4c(cccc4Cl)s3)ccc21 ZINC000479137875 1072749407 /nfs/dbraw/zinc/74/94/07/1072749407.db2.gz WQSPOBNVICCKCD-UHFFFAOYSA-N 0 2 407.904 3.660 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)c(F)c1 ZINC000479121050 1072758464 /nfs/dbraw/zinc/75/84/64/1072758464.db2.gz NZABXLYOHFOORN-UHFFFAOYSA-N 0 2 417.846 3.946 20 0 HHADLN COC(=O)CCSc1ncccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000479145040 1072766837 /nfs/dbraw/zinc/76/68/37/1072766837.db2.gz ZCBNOZJQUCSPSV-UHFFFAOYSA-N 0 2 421.327 3.844 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)COc1ccc(C)c(C)c1 ZINC000571941816 1072947764 /nfs/dbraw/zinc/94/77/64/1072947764.db2.gz KVICNUCYZFIADN-JOCHJYFZSA-N 0 2 421.541 3.922 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cnc3onc(C)c3c2)c(C(F)(F)F)c1 ZINC000588623453 1073063915 /nfs/dbraw/zinc/06/39/15/1073063915.db2.gz KGDZLOUYIHSXQE-UHFFFAOYSA-N 0 2 401.366 3.750 20 0 HHADLN Cc1noc2ncc(S(=O)(=O)Nc3cc(Cl)ccc3N3CCSCC3)cc12 ZINC000588625612 1073066090 /nfs/dbraw/zinc/06/60/90/1073066090.db2.gz MMHDGYFRUXCHKR-UHFFFAOYSA-N 0 2 424.935 3.539 20 0 HHADLN COc1cc2nc(C)sc2cc1NS(=O)(=O)c1ccc(OC)c2ncccc12 ZINC000588635423 1073089092 /nfs/dbraw/zinc/08/90/92/1073089092.db2.gz YWRHKSLNHBDORK-UHFFFAOYSA-N 0 2 415.496 3.971 20 0 HHADLN CC1(C)Cc2nc(NS(=O)(=O)c3cccnc3C(F)(F)F)sc2C(=O)C1 ZINC000572038653 1073116933 /nfs/dbraw/zinc/11/69/33/1073116933.db2.gz SZURRCJKGOWJQI-UHFFFAOYSA-N 0 2 405.423 3.513 20 0 HHADLN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccccc1O[C@@H](C)C(F)(F)F ZINC000588853952 1073308185 /nfs/dbraw/zinc/30/81/85/1073308185.db2.gz MBGGQEHQMZGDEY-LBPRGKRZSA-N 0 2 417.405 3.912 20 0 HHADLN O=C(NCc1nc2cccnc2[nH]1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000555299188 1073328615 /nfs/dbraw/zinc/32/86/15/1073328615.db2.gz DXWOJDZVLLEBBE-UHFFFAOYSA-N 0 2 411.421 3.522 20 0 HHADLN Cc1ccc(C[C@@H]2CCCN(C(=O)NCc3nnc(COc4ccccc4)[nH]3)C2)cc1 ZINC000555340732 1073353541 /nfs/dbraw/zinc/35/35/41/1073353541.db2.gz WNKCUUWUHPNWLD-FQEVSTJZSA-N 0 2 419.529 3.856 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ncc(-c3ccccc3F)s2)cnn1-c1ccccn1 ZINC000555457999 1073518224 /nfs/dbraw/zinc/51/82/24/1073518224.db2.gz YSOHONSBJYHBLH-UHFFFAOYSA-N 0 2 415.475 3.639 20 0 HHADLN COc1c(Br)c(C)sc1C(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000555529670 1073603403 /nfs/dbraw/zinc/60/34/03/1073603403.db2.gz GQWPQOADGJGHDQ-UHFFFAOYSA-N 0 2 423.292 3.879 20 0 HHADLN O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000555556022 1073623452 /nfs/dbraw/zinc/62/34/52/1073623452.db2.gz FYUWHAIXXINFOM-OAHLLOKOSA-N 0 2 412.877 3.763 20 0 HHADLN O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000590949188 1074048848 /nfs/dbraw/zinc/04/88/48/1074048848.db2.gz DWHOZRIUDYCVSP-PKTZIBPZSA-N 0 2 415.493 3.882 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)o1)c1ccccc1 ZINC000556045111 1074065651 /nfs/dbraw/zinc/06/56/51/1074065651.db2.gz UQODQXKXICCJKE-INIZCTEOSA-N 0 2 403.508 3.807 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3ncc(Cc4ccccc4)s3)c(F)cc2N1 ZINC000615181310 1074096010 /nfs/dbraw/zinc/09/60/10/1074096010.db2.gz SRESLIDAULIAIF-UHFFFAOYSA-N 0 2 417.487 3.559 20 0 HHADLN CCc1nc2c(s1)[C@H](N(C)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1)CCC2 ZINC001126969683 1074161708 /nfs/dbraw/zinc/16/17/08/1074161708.db2.gz WWVAYNZIAPUPCJ-GFCCVEGCSA-N 0 2 415.437 3.627 20 0 HHADLN CN(CCCOc1ccc(F)cc1)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000573193353 1074250541 /nfs/dbraw/zinc/25/05/41/1074250541.db2.gz JAJJHEPQUXWKBO-UHFFFAOYSA-N 0 2 403.841 3.912 20 0 HHADLN COc1cc(C)c(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)cc1OC ZINC000591678891 1074456718 /nfs/dbraw/zinc/45/67/18/1074456718.db2.gz ZSUMTBVDGBYXGF-UHFFFAOYSA-N 0 2 416.858 3.564 20 0 HHADLN O=C(N[C@@H]1CCCCC12OCCO2)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000760858604 1074473686 /nfs/dbraw/zinc/47/36/86/1074473686.db2.gz HEYMTWDBINJFOP-OAQYLSRUSA-N 0 2 420.465 3.736 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)c(F)c1 ZINC000591682439 1074485791 /nfs/dbraw/zinc/48/57/91/1074485791.db2.gz VSAFSEAJJRWJIA-UHFFFAOYSA-N 0 2 403.410 3.721 20 0 HHADLN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(OC)c(OC)c2OC)cc1Cl ZINC000591797192 1074546388 /nfs/dbraw/zinc/54/63/88/1074546388.db2.gz YFZMDAIKIMGFTO-UHFFFAOYSA-N 0 2 422.286 3.829 20 0 HHADLN CC[C@@H](C)c1ccc(NC(=O)CS(=O)(=O)c2n[nH]c(-c3ccccc3F)n2)cc1 ZINC000573909026 1074673086 /nfs/dbraw/zinc/67/30/86/1074673086.db2.gz QZIZHFLXAFOMMG-CYBMUJFWSA-N 0 2 416.478 3.537 20 0 HHADLN CCN(CCC1CC1)C(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000760989327 1074809864 /nfs/dbraw/zinc/80/98/64/1074809864.db2.gz WYKFUJRVDFEKFV-UHFFFAOYSA-N 0 2 420.506 3.897 20 0 HHADLN Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1cccc(Br)c1O ZINC000592871051 1075128733 /nfs/dbraw/zinc/12/87/33/1075128733.db2.gz LJUZPXNUYXGJJO-UHFFFAOYSA-N 0 2 403.236 3.636 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cn(C)nc1-c1ccccc1Cl ZINC000595195814 1075412026 /nfs/dbraw/zinc/41/20/26/1075412026.db2.gz WIRHLTNGAOBXCD-UHFFFAOYSA-N 0 2 413.890 3.723 20 0 HHADLN C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1F ZINC000595898351 1075518007 /nfs/dbraw/zinc/51/80/07/1075518007.db2.gz YVZBIUDMEHPWNW-LBPRGKRZSA-N 0 2 405.476 3.825 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1csc(-c2ccc3c(c2)OCCO3)n1 ZINC000595926818 1075521855 /nfs/dbraw/zinc/52/18/55/1075521855.db2.gz HSOFXNKIZHJBEA-UHFFFAOYSA-N 0 2 422.491 3.774 20 0 HHADLN O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(F)c(F)c1F ZINC000601432998 1075613879 /nfs/dbraw/zinc/61/38/79/1075613879.db2.gz HRYKDKLDSDTZKM-UHFFFAOYSA-N 0 2 404.373 3.614 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1cc(C(F)(F)F)nc(-c2ccncc2)n1 ZINC000302234153 971214729 /nfs/dbraw/zinc/21/47/29/971214729.db2.gz ZZEHDLZRMMSSSQ-UHFFFAOYSA-N 0 2 418.404 3.904 20 0 HHADLN Brc1cnc2c(c1)nccc2NCc1nnc(COc2ccccc2)[nH]1 ZINC000302243790 971217354 /nfs/dbraw/zinc/21/73/54/971217354.db2.gz QHNHDXSLIUBXDN-UHFFFAOYSA-N 0 2 411.263 3.702 20 0 HHADLN c1ccc(OCc2nnc(CNc3nc4ccccc4nc3N3CCCCC3)[nH]2)cc1 ZINC000302249056 971218053 /nfs/dbraw/zinc/21/80/53/971218053.db2.gz MCLDBBJWHSYQMO-UHFFFAOYSA-N 0 2 415.501 3.929 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)n(Cc2ccccc2)n1 ZINC000303117247 971511686 /nfs/dbraw/zinc/51/16/86/971511686.db2.gz DNHUQOJEYUVKHK-UHFFFAOYSA-N 0 2 411.405 3.939 20 0 HHADLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)nn2-c2ccc(Cl)cc2)c1 ZINC000524297954 1013109306 /nfs/dbraw/zinc/10/93/06/1013109306.db2.gz GWWLMXBCJXREPL-UHFFFAOYSA-N 0 2 419.890 3.730 20 0 HHADLN COc1ccc2nc(NS(=O)(=O)c3ccc(OC)c4ncccc34)sc2c1 ZINC000524297573 1013109324 /nfs/dbraw/zinc/10/93/24/1013109324.db2.gz JCRSZCGJYLKQQV-UHFFFAOYSA-N 0 2 401.469 3.663 20 0 HHADLN CC(C)(C)S(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000303485827 971784682 /nfs/dbraw/zinc/78/46/82/971784682.db2.gz UYDSWCNPJQSBLC-UHFFFAOYSA-N 0 2 419.927 3.993 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2noc(-c3ccccc3)n2)c(Cl)c1Cl ZINC000537611477 1013152993 /nfs/dbraw/zinc/15/29/93/1013152993.db2.gz IWTAIKXUBDFPJJ-UHFFFAOYSA-N 0 2 400.243 3.853 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccncc2)ns1)c1csc2ccc(Cl)cc21 ZINC000542218211 1013166985 /nfs/dbraw/zinc/16/69/85/1013166985.db2.gz PVUPIJQKYDVKKA-UHFFFAOYSA-N 0 2 408.917 3.691 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)cc1C ZINC000303875997 972417606 /nfs/dbraw/zinc/41/76/06/972417606.db2.gz IUDLIWDOQACUDC-UHFFFAOYSA-N 0 2 407.536 3.831 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(OC)c(F)c2)cnn1-c1cccc(F)c1 ZINC000542237121 1013195408 /nfs/dbraw/zinc/19/54/08/1013195408.db2.gz ZPOJKYMKGJIDPF-UHFFFAOYSA-N 0 2 407.442 3.912 20 0 HHADLN CCn1c(SCc2nc(=O)c3sccc3[nH]2)nc2sc(C)c(C)c2c1=O ZINC000004485436 960594794 /nfs/dbraw/zinc/59/47/94/960594794.db2.gz BUEANVXWXQSXMZ-UHFFFAOYSA-N 0 2 404.542 3.685 20 0 HHADLN COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 ZINC000007419485 961173453 /nfs/dbraw/zinc/17/34/53/961173453.db2.gz MYKNMWZHJDPYHN-UHFFFAOYSA-N 0 2 417.512 3.886 20 0 HHADLN O=C(NNC(=O)c1ccccn1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000008196330 961472287 /nfs/dbraw/zinc/47/22/87/961472287.db2.gz YQFYJGSBZDCIRM-UHFFFAOYSA-N 0 2 412.789 3.510 20 0 HHADLN CC/N=C1\NC(=O)C(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)S1 ZINC000008209936 961478335 /nfs/dbraw/zinc/47/83/35/961478335.db2.gz DBXLWVSPPBSEBS-INIZCTEOSA-N 0 2 415.902 3.507 20 0 HHADLN CS(=O)(=O)c1ccc(OCCCC(=O)Nc2cc(Cl)cc(Cl)c2O)cc1 ZINC000537728631 1013289274 /nfs/dbraw/zinc/28/92/74/1013289274.db2.gz NDLKXTSUYDMUSR-UHFFFAOYSA-N 0 2 418.298 3.900 20 0 HHADLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=S)Nc1ccc(OCC)cc1 ZINC000011103847 962008375 /nfs/dbraw/zinc/00/83/75/962008375.db2.gz LLMKXIWUYDCHLS-UHFFFAOYSA-N 0 2 402.545 3.992 20 0 HHADLN Cc1cc(CNC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccco2)c3=O)ccc1F ZINC000011984909 962220457 /nfs/dbraw/zinc/22/04/57/962220457.db2.gz VGNPLQUYRWQVLD-UHFFFAOYSA-N 0 2 423.469 3.704 20 0 HHADLN O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCCC3)cc2)cc1 ZINC000013196231 962376601 /nfs/dbraw/zinc/37/66/01/962376601.db2.gz RZVWFXJAPCKNNY-UHFFFAOYSA-N 0 2 402.516 3.885 20 0 HHADLN Cc1cc(C)c(OCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c(C)c1 ZINC000015683915 962836280 /nfs/dbraw/zinc/83/62/80/962836280.db2.gz OMZZETLLRHQUSY-UHFFFAOYSA-N 0 2 408.454 3.624 20 0 HHADLN O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(F)cc1F ZINC000016147737 962962386 /nfs/dbraw/zinc/96/23/86/962962386.db2.gz SSDMMZTYEUPFKM-UHFFFAOYSA-N 0 2 422.375 3.621 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)NCc3ccccc3Cl)cc2[nH]c1=S ZINC000017117052 963155979 /nfs/dbraw/zinc/15/59/79/963155979.db2.gz GSLFUZYAZUMIOS-UHFFFAOYSA-N 0 2 417.918 3.679 20 0 HHADLN CC1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(CCc2ccccc2)c3=O)CC1 ZINC000017355556 963194514 /nfs/dbraw/zinc/19/45/14/963194514.db2.gz URKFYGAFVYRLGT-UHFFFAOYSA-N 0 2 407.539 3.800 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NCCCSc3ccc(F)cc3)cc2[nH]c1=S ZINC000018022803 963253332 /nfs/dbraw/zinc/25/33/32/963253332.db2.gz FMQZYBFFHNKNCL-UHFFFAOYSA-N 0 2 417.531 3.756 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1OC(F)(F)F ZINC000023394869 963817377 /nfs/dbraw/zinc/81/73/77/963817377.db2.gz AJGQHLDJVZYESY-UHFFFAOYSA-N 0 2 418.784 3.620 20 0 HHADLN Cc1csc(C(C#N)C(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000048788713 964061313 /nfs/dbraw/zinc/06/13/13/964061313.db2.gz JUOSBNDUCARJLY-HIFRSBDPSA-N 0 2 407.417 3.695 20 0 HHADLN Cc1csc([C@@H](C#N)C(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)n1 ZINC000048788713 964061329 /nfs/dbraw/zinc/06/13/29/964061329.db2.gz JUOSBNDUCARJLY-HIFRSBDPSA-N 0 2 407.417 3.695 20 0 HHADLN O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NOCc1ccccc1 ZINC000049565332 964174161 /nfs/dbraw/zinc/17/41/61/964174161.db2.gz QGFUHVOLQJKAES-UHFFFAOYSA-N 0 2 417.494 3.669 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)c1ccncc1 ZINC000025132190 964188216 /nfs/dbraw/zinc/18/82/16/964188216.db2.gz IOBKHGMGFZRQSP-UHFFFAOYSA-N 0 2 405.838 3.927 20 0 HHADLN COc1ccc(CCC(=O)NNC(=O)c2cnc(-c3ccccc3Cl)s2)cc1 ZINC000050343006 964314166 /nfs/dbraw/zinc/31/41/66/964314166.db2.gz FKKPHYRTDLILHN-UHFFFAOYSA-N 0 2 415.902 3.866 20 0 HHADLN Cc1ccc(-c2csc(C(C#N)C(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)n2)cc1 ZINC000051150672 964477897 /nfs/dbraw/zinc/47/78/97/964477897.db2.gz FSVDAYSQWPEGCT-FUHWJXTLSA-N 0 2 405.479 3.937 20 0 HHADLN Cc1ccc(-c2csc([C@H](C#N)C(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)n2)cc1 ZINC000051150672 964477906 /nfs/dbraw/zinc/47/79/06/964477906.db2.gz FSVDAYSQWPEGCT-FUHWJXTLSA-N 0 2 405.479 3.937 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1n[nH]c(C2CC2)n1)c1ccccc1Br ZINC000026541351 964595202 /nfs/dbraw/zinc/59/52/02/964595202.db2.gz ZGUMNKXEWJKPMD-UHFFFAOYSA-N 0 2 419.304 3.912 20 0 HHADLN CCC(CC)c1nnc(NC(=O)c2sccc2S(=O)(=O)N2CCCC2)s1 ZINC000026566183 964603424 /nfs/dbraw/zinc/60/34/24/964603424.db2.gz KDCWIDXBDNTESY-UHFFFAOYSA-N 0 2 414.578 3.540 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc2nc(SC)sc2c1 ZINC000028793878 965184916 /nfs/dbraw/zinc/18/49/16/965184916.db2.gz ROERQBIZULPJLL-UHFFFAOYSA-N 0 2 400.528 3.667 20 0 HHADLN Cc1ccc(NC(=O)Cc2nc(=O)c3sc(-c4ccc5c(c4)OCO5)cc3[nH]2)cc1 ZINC000053854557 965294252 /nfs/dbraw/zinc/29/42/52/965294252.db2.gz MAZGTIVXKFXDOB-UHFFFAOYSA-N 0 2 419.462 3.870 20 0 HHADLN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(C)cc1OCC(F)(F)F ZINC000057123909 965296878 /nfs/dbraw/zinc/29/68/78/965296878.db2.gz RVVQWDYFPUJXBG-UHFFFAOYSA-N 0 2 403.378 3.524 20 0 HHADLN Cc1ccc(CCC(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)c(C)c1 ZINC000054032167 965360790 /nfs/dbraw/zinc/36/07/90/965360790.db2.gz XJFNVMIKFABTKW-UHFFFAOYSA-N 0 2 416.528 3.527 20 0 HHADLN CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000029433612 965378888 /nfs/dbraw/zinc/37/88/88/965378888.db2.gz RPUYWHSHGOEGSI-UHFFFAOYSA-N 0 2 400.859 3.888 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-] ZINC000057720342 965529528 /nfs/dbraw/zinc/52/95/28/965529528.db2.gz AMTRNKFCTYGFGW-UHFFFAOYSA-N 0 2 409.420 3.667 20 0 HHADLN COc1ccc(-c2csc(NS(=O)(=O)c3ccc4c(c3)CCC4)n2)cc1OC ZINC000057719826 965529729 /nfs/dbraw/zinc/52/97/29/965529729.db2.gz KQGSYBIDUACJKY-UHFFFAOYSA-N 0 2 416.524 3.539 20 0 HHADLN CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3cc(F)cc(F)c3)n2)cc1 ZINC000057734424 965533446 /nfs/dbraw/zinc/53/34/46/965533446.db2.gz KBAVXAWIKFVVKB-UHFFFAOYSA-N 0 2 409.439 3.848 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1NC(C)=O ZINC000057735204 965533741 /nfs/dbraw/zinc/53/37/41/965533741.db2.gz OZRVFWHJEBCDCS-UHFFFAOYSA-N 0 2 421.475 3.717 20 0 HHADLN C[C@@H](Cc1ccccc1F)NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000054621880 965586394 /nfs/dbraw/zinc/58/63/94/965586394.db2.gz AVVSZGUVKSFVDU-HNNXBMFYSA-N 0 2 411.433 3.573 20 0 HHADLN O=C1c2ccccc2N[C@H](c2cc([N+](=O)[O-])ccc2O)N1c1ccc2c(c1)OCCO2 ZINC000057949336 965590416 /nfs/dbraw/zinc/59/04/16/965590416.db2.gz VJKGXAISNUWNIW-NRFANRHFSA-N 0 2 419.393 3.843 20 0 HHADLN C[C@@H]1CCc2[nH]c3ccc(C(=O)N(C)Cc4nc(=O)c5sccc5[nH]4)cc3c2C1 ZINC000030031695 965605173 /nfs/dbraw/zinc/60/51/73/965605173.db2.gz XPGQNNVZXDHMKQ-GFCCVEGCSA-N 0 2 406.511 3.863 20 0 HHADLN Cc1cc(C(=O)NNC(=O)c2occc2COc2ccccc2)c2ccccc2n1 ZINC000054679977 965609464 /nfs/dbraw/zinc/60/94/64/965609464.db2.gz OBNZJJNKVMQZIM-UHFFFAOYSA-N 0 2 401.422 3.790 20 0 HHADLN COc1ccc(-c2nc(SCC(=O)NCC3CCCCC3)[nH]c(=O)c2C#N)cc1 ZINC000054749258 965630494 /nfs/dbraw/zinc/63/04/94/965630494.db2.gz SHRCEVLBJJAKBR-UHFFFAOYSA-N 0 2 412.515 3.518 20 0 HHADLN COc1ccc(-c2nc(S[C@H](C)C(=O)Nc3ccccc3)[nH]c(=O)c2C#N)cc1 ZINC000054749318 965631690 /nfs/dbraw/zinc/63/16/90/965631690.db2.gz ZYJDBDHJHODLSJ-CYBMUJFWSA-N 0 2 406.467 3.849 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2OCC(F)F)c(Cl)c1 ZINC000538014558 1013586925 /nfs/dbraw/zinc/58/69/25/1013586925.db2.gz AWXTUJMLDPGZRS-UHFFFAOYSA-N 0 2 423.796 3.710 20 0 HHADLN Cn1nnnc1-c1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 ZINC000058191037 965652411 /nfs/dbraw/zinc/65/24/11/965652411.db2.gz NBBGAANSMFTOCJ-UHFFFAOYSA-N 0 2 418.693 3.638 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cccnc1Nc1ccccc1F ZINC000054888480 965681841 /nfs/dbraw/zinc/68/18/41/965681841.db2.gz RBTUGYIGKMYDJK-UHFFFAOYSA-N 0 2 409.446 3.535 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]3Cc3ccccc3)cc2[nH]c1=S ZINC000030603277 965740796 /nfs/dbraw/zinc/74/07/96/965740796.db2.gz BGLGVXZAJVUQDZ-SFHVURJKSA-N 0 2 405.523 3.719 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@H](Oc1ccccc1)c1ccccc1 ZINC000055101027 965754703 /nfs/dbraw/zinc/75/47/03/965754703.db2.gz FVHLTPXFKZMZMN-LJQANCHMSA-N 0 2 405.479 3.763 20 0 HHADLN CCN(C(=O)c1ccc2c(c1)[nH]c(=S)n(CCCOC)c2=O)C1CCCCC1 ZINC000058582781 965794201 /nfs/dbraw/zinc/79/42/01/965794201.db2.gz WDUODPZYMBLCLA-UHFFFAOYSA-N 0 2 403.548 3.517 20 0 HHADLN CS(=O)(=O)c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000055564314 965920975 /nfs/dbraw/zinc/92/09/75/965920975.db2.gz FDWMRHWZJTWMQX-UHFFFAOYSA-N 0 2 414.719 3.851 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCc4[nH]c5ccccc5c4C3)s[nH]2)c1 ZINC000542692297 1013610999 /nfs/dbraw/zinc/61/09/99/1013610999.db2.gz DWIDWAKWSNITEI-UHFFFAOYSA-N 0 2 405.483 3.707 20 0 HHADLN COc1ccc(OC(F)F)c(NS(=O)(=O)c2ccccc2Br)c1 ZINC000055599319 965956024 /nfs/dbraw/zinc/95/60/24/965956024.db2.gz JDRVDOFNDMUMAU-UHFFFAOYSA-N 0 2 408.220 3.860 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cccc(OCc3cccnc3)c2)cc1OC ZINC000055632227 965976667 /nfs/dbraw/zinc/97/66/67/965976667.db2.gz UYNQPUVSCCYMRD-UHFFFAOYSA-N 0 2 418.446 3.618 20 0 HHADLN COc1ccccc1-c1n[nH]c(NC(=O)c2csc(-c3ccccc3OC)n2)n1 ZINC000059007922 965991452 /nfs/dbraw/zinc/99/14/52/965991452.db2.gz JDGWDXYOKINPRU-UHFFFAOYSA-N 0 2 407.455 3.865 20 0 HHADLN Cc1oc(-c2cccs2)nc1C(=O)NNC(=O)COc1cc(C)ccc1C(C)C ZINC000059010492 965992456 /nfs/dbraw/zinc/99/24/56/965992456.db2.gz STUXSXPFWBHABE-UHFFFAOYSA-N 0 2 413.499 3.983 20 0 HHADLN C[C@@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000055651414 965998255 /nfs/dbraw/zinc/99/82/55/965998255.db2.gz SONJRQCXUHOBRR-GFCCVEGCSA-N 0 2 412.433 3.919 20 0 HHADLN COc1cc(C)ccc1NS(=O)(=O)c1cc(OC)c(OC)cc1Br ZINC000055663983 966008076 /nfs/dbraw/zinc/00/80/76/966008076.db2.gz OJIGSQOXRQSCJQ-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN COc1ccc(-c2nc(SCCOc3ccccc3C#N)[nH]c(=O)c2C#N)cc1 ZINC000060428608 966141009 /nfs/dbraw/zinc/14/10/09/966141009.db2.gz GMUWUHDKGPNMQZ-UHFFFAOYSA-N 0 2 404.451 3.772 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c(F)c1 ZINC000032083443 966191501 /nfs/dbraw/zinc/19/15/01/966191501.db2.gz CZCOKMPKBPMMCR-UHFFFAOYSA-N 0 2 406.435 3.626 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCc1cccc(Cn2ccnc2)c1 ZINC000542726971 1013639150 /nfs/dbraw/zinc/63/91/50/1013639150.db2.gz QUTBIRYWQQELAY-UHFFFAOYSA-N 0 2 424.917 3.847 20 0 HHADLN Cc1nc(C2(NC(=O)N=c3nc(-c4ccccc4Cl)[nH]s3)CCCC2)no1 ZINC000542727118 1013639082 /nfs/dbraw/zinc/63/90/82/1013639082.db2.gz FLXOZEQNTMAVKA-UHFFFAOYSA-N 0 2 404.883 3.563 20 0 HHADLN C[S@@](=O)C[C@@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccccc1 ZINC000542726518 1013638430 /nfs/dbraw/zinc/63/84/30/1013638430.db2.gz BWJNBIJMBAAOLG-YVORESIASA-N 0 2 420.947 3.522 20 0 HHADLN COCC[C@@H](Cc1ccco1)NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000542727137 1013639114 /nfs/dbraw/zinc/63/91/14/1013639114.db2.gz DZTDLKYHAWSIEU-LBPRGKRZSA-N 0 2 406.895 3.643 20 0 HHADLN Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)c3c(C)noc3C(C)C)cc12 ZINC000060915076 966325338 /nfs/dbraw/zinc/32/53/38/966325338.db2.gz XXXQINYFZAZGKV-UHFFFAOYSA-N 0 2 423.498 3.890 20 0 HHADLN Cc1c(Cl)cc(S(=O)(=O)Nc2nc(-c3ccccn3)cs2)cc1[N+](=O)[O-] ZINC000060949433 966334376 /nfs/dbraw/zinc/33/43/76/966334376.db2.gz GIQOLNLJNFTVRC-UHFFFAOYSA-N 0 2 410.864 3.876 20 0 HHADLN Cc1ccc(-c2csc([C@@H](C#N)C(=O)CCc3c(C)nc4ncnn4c3C)n2)cc1 ZINC000041513257 966583393 /nfs/dbraw/zinc/58/33/93/966583393.db2.gz ACTZFGKOJATRGA-SFHVURJKSA-N 0 2 416.510 3.982 20 0 HHADLN Cc1csc([C@H](C#N)C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)n1 ZINC000041519165 966584537 /nfs/dbraw/zinc/58/45/37/966584537.db2.gz RREATJLOWXVECX-GXFFZTMASA-N 0 2 412.540 3.683 20 0 HHADLN Cc1c(C(=O)NNC(=O)CCCOc2ccc(Cl)cc2C)oc2c1C(=O)CCC2 ZINC000041687774 966612945 /nfs/dbraw/zinc/61/29/45/966612945.db2.gz KTEGBROOSYFZND-UHFFFAOYSA-N 0 2 418.877 3.689 20 0 HHADLN CCCCCOc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+]=C3[O-])cc2)cc1 ZINC000063150001 966763117 /nfs/dbraw/zinc/76/31/17/966763117.db2.gz BDPPMZAECJYVGK-UHFFFAOYSA-N 0 2 403.504 3.586 20 0 HHADLN O=S(=O)(Cc1coc(-c2ccc(Br)cc2)n1)c1nc2ccccc2[nH]1 ZINC000063861107 966980758 /nfs/dbraw/zinc/98/07/58/966980758.db2.gz WDCOQQPGEYFAKJ-UHFFFAOYSA-N 0 2 418.272 3.954 20 0 HHADLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 ZINC000542825976 1013694774 /nfs/dbraw/zinc/69/47/74/1013694774.db2.gz GVXXKFAZBPZBOI-UHFFFAOYSA-N 0 2 412.515 3.966 20 0 HHADLN Cc1cc(Br)oc1C(=O)NNC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000044881280 967308442 /nfs/dbraw/zinc/30/84/42/967308442.db2.gz WFSFARPCLJXXAX-LBPRGKRZSA-N 0 2 417.259 3.732 20 0 HHADLN CCCCc1noc([C@H](C)Sc2nc(-c3ccc(OC)cc3)c(C#N)c(=O)[nH]2)n1 ZINC000045104203 967355543 /nfs/dbraw/zinc/35/55/43/967355543.db2.gz CULWZPPPEPIUMA-LBPRGKRZSA-N 0 2 411.487 3.896 20 0 HHADLN CCNC(=O)c1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1 ZINC000065107869 967380220 /nfs/dbraw/zinc/38/02/20/967380220.db2.gz NYXVFNUYKXIUKU-UHFFFAOYSA-N 0 2 413.275 3.841 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2[nH]c1=S ZINC000045430819 967460799 /nfs/dbraw/zinc/46/07/99/967460799.db2.gz VRGRMDDZCDCQDX-UHFFFAOYSA-N 0 2 409.511 3.588 20 0 HHADLN Cc1ccc(-c2csc([C@H](C#N)C(=O)CCN3C(=O)c4ccccc4C3=O)n2)cc1 ZINC000046443234 967803091 /nfs/dbraw/zinc/80/30/91/967803091.db2.gz NZMYSNAIPLJDMQ-GOSISDBHSA-N 0 2 415.474 3.981 20 0 HHADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C(C)C)c1 ZINC000542932092 1013767251 /nfs/dbraw/zinc/76/72/51/1013767251.db2.gz XWHIRXYPVFJVLG-UHFFFAOYSA-N 0 2 417.462 3.858 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2ccccc2-c2ccno2)c(OC(F)F)c1 ZINC000542936065 1013770018 /nfs/dbraw/zinc/77/00/18/1013770018.db2.gz UWHRVPYYZXNHEW-UHFFFAOYSA-N 0 2 424.381 3.530 20 0 HHADLN O=S(=O)(Nc1ccc(OCC(F)(F)F)nc1)c1ccccc1C(F)(F)F ZINC000047416985 968181767 /nfs/dbraw/zinc/18/17/67/968181767.db2.gz ACKSBZVPQGPPKX-UHFFFAOYSA-N 0 2 400.300 3.842 20 0 HHADLN O=C(N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1c(O)cc(F)cc1F ZINC000066048139 968781683 /nfs/dbraw/zinc/78/16/83/968781683.db2.gz TYXYNMOHQDOMIY-SFHVURJKSA-N 0 2 409.392 3.966 20 0 HHADLN O=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)c1c(O)cc(F)cc1F ZINC000066052645 968783275 /nfs/dbraw/zinc/78/32/75/968783275.db2.gz KCNWRHLMFNKXKY-NSHDSACASA-N 0 2 411.246 3.689 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1 ZINC000538295736 1013830534 /nfs/dbraw/zinc/83/05/34/1013830534.db2.gz GFJGNUSQBUGLSU-UHFFFAOYSA-N 0 2 404.469 3.515 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)NC3CCCCCCC3)cc2[nH]c1=S ZINC000071806039 968857792 /nfs/dbraw/zinc/85/77/92/968857792.db2.gz ZSOXAEVIRDSGMX-UHFFFAOYSA-N 0 2 403.548 3.564 20 0 HHADLN Cc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2c[nH]c3ncccc23)c1 ZINC000072014943 968933915 /nfs/dbraw/zinc/93/39/15/968933915.db2.gz XOCVASAFBVOPFX-UHFFFAOYSA-N 0 2 406.467 3.924 20 0 HHADLN O=S(=O)(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1ccccc1Br ZINC000072035765 968947844 /nfs/dbraw/zinc/94/78/44/968947844.db2.gz MWDPDOCRSSFEPA-HNNXBMFYSA-N 0 2 422.304 3.978 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ccc(OC)cc3)cc2[nH]c1=S ZINC000103361907 969200060 /nfs/dbraw/zinc/20/00/60/969200060.db2.gz UEBFTSADFSDBMO-LJQANCHMSA-N 0 2 409.511 3.691 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)NC[C@@H]3CCCC[C@H]3C)cc2[nH]c1=S ZINC000195667010 969943289 /nfs/dbraw/zinc/94/32/89/969943289.db2.gz KLGFPBGKTNZKLP-ZBFHGGJFSA-N 0 2 403.548 3.652 20 0 HHADLN O=S(=O)(Nc1cc(Br)ccc1O)c1ccccc1Br ZINC000122582638 969969867 /nfs/dbraw/zinc/96/98/67/969969867.db2.gz QHYLZZPWMGSHBY-UHFFFAOYSA-N 0 2 407.083 3.718 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccco3)ccc2F)cc1 ZINC000215961244 970057825 /nfs/dbraw/zinc/05/78/25/970057825.db2.gz PNRIZKRDILZEJR-UHFFFAOYSA-N 0 2 418.446 3.500 20 0 HHADLN Cc1nc(Br)ccc1NS(=O)(=O)c1ccc(Br)s1 ZINC000222854201 970103071 /nfs/dbraw/zinc/10/30/71/970103071.db2.gz WGLRYFLURIQQOF-UHFFFAOYSA-N 0 2 412.128 3.777 20 0 HHADLN C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000148922364 970375722 /nfs/dbraw/zinc/37/57/22/970375722.db2.gz ZDBSNXOSAFQNTN-AWEZNQCLSA-N 0 2 401.513 3.777 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1Cc2cccc(Cl)c2C1 ZINC000149202771 970387372 /nfs/dbraw/zinc/38/73/72/970387372.db2.gz VOOUOGNTMJPHAS-UHFFFAOYSA-N 0 2 419.915 3.753 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1nnc(-c2ccc3ccccc3c2)n1C ZINC000554606002 1013987598 /nfs/dbraw/zinc/98/75/98/1013987598.db2.gz DUWQGZKKOPUNFR-UHFFFAOYSA-N 0 2 402.483 3.982 20 0 HHADLN COC(=O)c1cccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 ZINC000149775343 970409804 /nfs/dbraw/zinc/40/98/04/970409804.db2.gz KNABIHVPBYJVMX-UHFFFAOYSA-N 0 2 400.232 3.878 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N(C)Cc3ccccc3N3CCCC3)cc2[nH]c1=S ZINC000248090633 970508874 /nfs/dbraw/zinc/50/88/74/970508874.db2.gz XVMBCCXTZDTWTE-UHFFFAOYSA-N 0 2 422.554 3.578 20 0 HHADLN O=S(=O)(Nc1cccc(OC(F)(F)F)c1)c1cnn(-c2ccccc2F)c1 ZINC000303952666 972534496 /nfs/dbraw/zinc/53/44/96/972534496.db2.gz IWKNYNOJBBRVBL-UHFFFAOYSA-N 0 2 401.341 3.711 20 0 HHADLN Cc1cc(Br)c(F)cc1NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000322693430 972702045 /nfs/dbraw/zinc/70/20/45/972702045.db2.gz OXDMEELUTJBNDY-UHFFFAOYSA-N 0 2 418.675 3.999 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1C ZINC000326787055 972748088 /nfs/dbraw/zinc/74/80/88/972748088.db2.gz WDKVQGSCMNTWLL-UHFFFAOYSA-N 0 2 404.853 3.596 20 0 HHADLN Cc1nc2cc(NS(=O)(=O)c3cc(Br)cnc3Cl)ccc2o1 ZINC000385776315 972797001 /nfs/dbraw/zinc/79/70/01/972797001.db2.gz KOCHLMPZUQACOX-UHFFFAOYSA-N 0 2 402.657 3.748 20 0 HHADLN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1cnc(Cl)c(Br)c1 ZINC000389655558 972815359 /nfs/dbraw/zinc/81/53/59/972815359.db2.gz QBBLFWQBRKEFOK-UHFFFAOYSA-N 0 2 406.645 3.515 20 0 HHADLN COc1cc(NS(=O)(=O)c2c(Cl)nc3ccccn32)ccc1Br ZINC000391221579 972837975 /nfs/dbraw/zinc/83/79/75/972837975.db2.gz ZDTQFQUOYACNMK-UHFFFAOYSA-N 0 2 416.684 3.560 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000392971524 972859191 /nfs/dbraw/zinc/85/91/91/972859191.db2.gz PIMUOBVEESUFRL-UHFFFAOYSA-N 0 2 411.835 3.899 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000393158097 972860293 /nfs/dbraw/zinc/86/02/93/972860293.db2.gz LGCNAIBTXBCUBU-UHFFFAOYSA-N 0 2 411.835 3.899 20 0 HHADLN CCc1nc(NS(=O)(=O)c2cc(OC)c(OC)cc2Br)sc1C ZINC000409509976 972964041 /nfs/dbraw/zinc/96/40/41/972964041.db2.gz LCHRAXICBROVQR-UHFFFAOYSA-N 0 2 421.338 3.594 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cccc3c2OCCO3)sc1Cc1ccc(C)cc1 ZINC000409534689 972990792 /nfs/dbraw/zinc/99/07/92/972990792.db2.gz FVXNSXDSOANRQQ-UHFFFAOYSA-N 0 2 416.524 3.923 20 0 HHADLN CNC(=O)c1ccc(S(=O)(=O)Nc2nc(C)c(Cc3cccc(C)c3)s2)cc1 ZINC000409540913 972997299 /nfs/dbraw/zinc/99/72/99/972997299.db2.gz LADABKZUUFUUFP-UHFFFAOYSA-N 0 2 415.540 3.511 20 0 HHADLN COc1cccc(CCC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c1 ZINC000409543738 973000757 /nfs/dbraw/zinc/00/07/57/973000757.db2.gz NIHNIEZWABULNJ-UHFFFAOYSA-N 0 2 419.254 3.953 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2c(C)cnn2Cc2ccc(OC)c(OC)c2)s1 ZINC000409567141 973016705 /nfs/dbraw/zinc/01/67/05/973016705.db2.gz JNXPABFAXKCGFO-UHFFFAOYSA-N 0 2 421.544 3.682 20 0 HHADLN O=S(=O)(Nc1cc(-c2ccoc2)nn1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000409619576 973066314 /nfs/dbraw/zinc/06/63/14/973066314.db2.gz UDFHLGKJLARGAS-UHFFFAOYSA-N 0 2 423.450 3.704 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc4c(c3)nc(C(F)F)n4C)s[nH]2)c1 ZINC000409645029 973096142 /nfs/dbraw/zinc/09/61/42/973096142.db2.gz MIDIWHHFQCEXFI-UHFFFAOYSA-N 0 2 415.425 3.712 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3ccccc3Cl)s2)c1 ZINC000409665491 973122170 /nfs/dbraw/zinc/12/21/70/973122170.db2.gz KQQWWAYLIVTRKS-UHFFFAOYSA-N 0 2 422.915 3.975 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccccc2N(C)C2CCCC2)c(OC)c1 ZINC000410321805 973868858 /nfs/dbraw/zinc/86/88/58/973868858.db2.gz PXDWCBAIJJABDJ-UHFFFAOYSA-N 0 2 420.531 3.892 20 0 HHADLN CC(C)(c1nnc(NS(=O)(=O)c2cccc3c2OC(C)(C)C3)o1)c1ccccc1 ZINC000410334425 973913429 /nfs/dbraw/zinc/91/34/29/973913429.db2.gz FGZQZRIZZINYLS-UHFFFAOYSA-N 0 2 413.499 3.910 20 0 HHADLN CCOC(=O)c1csc(NS(=O)(=O)c2cccc(-c3nc(C)cs3)c2)n1 ZINC000410341470 973926023 /nfs/dbraw/zinc/92/60/23/973926023.db2.gz VENHUEJVOVPLSL-UHFFFAOYSA-N 0 2 409.514 3.553 20 0 HHADLN Cc1nc(C)n(Cc2cccc(NC(=O)N=c3nc(-c4ccccc4)[nH]s3)c2)n1 ZINC000426638398 974576527 /nfs/dbraw/zinc/57/65/27/974576527.db2.gz QGMCCPFHMCICBZ-UHFFFAOYSA-N 0 2 405.487 3.528 20 0 HHADLN Cc1cc(Br)cc(C[NH2+]Cc2nc(C(=O)[O-])cs2)c1OC(F)F ZINC000426675034 974594609 /nfs/dbraw/zinc/59/46/09/974594609.db2.gz OTDLBNBPMGUSGP-UHFFFAOYSA-N 0 2 407.236 3.803 20 0 HHADLN COc1cc(C)ccc1Oc1ccc(NS(=O)(=O)c2cnn(C)c2C)cc1F ZINC000427096327 974900288 /nfs/dbraw/zinc/90/02/88/974900288.db2.gz GHXDDICJMDJVAO-UHFFFAOYSA-N 0 2 405.451 3.778 20 0 HHADLN CCOc1cc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)ccc1OC ZINC000427098801 974902366 /nfs/dbraw/zinc/90/23/66/974902366.db2.gz CTJNXNJFGYKICI-UHFFFAOYSA-N 0 2 409.357 3.932 20 0 HHADLN O=S(=O)(Nc1cnn(Cc2ccccc2)c1)c1cccc(OC(F)(F)F)c1F ZINC000427102989 974905514 /nfs/dbraw/zinc/90/55/14/974905514.db2.gz UUNWGAXYTHVMCM-UHFFFAOYSA-N 0 2 415.368 3.770 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3[nH]2)cnn1C ZINC000427199491 974972887 /nfs/dbraw/zinc/97/28/87/974972887.db2.gz UWZJITWGYCAQTG-UHFFFAOYSA-N 0 2 401.879 3.726 20 0 HHADLN CCC[C@@H](C)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000427201414 974974174 /nfs/dbraw/zinc/97/41/74/974974174.db2.gz AFUVPVNZSPFQNR-RHSMWYFYSA-N 0 2 407.561 3.985 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CC[C@@H](C)C(F)(F)C2)cc1 ZINC000427545485 975175066 /nfs/dbraw/zinc/17/50/66/975175066.db2.gz GGPJUYICNNHWNT-CYBMUJFWSA-N 0 2 414.499 3.975 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(-c3ccncc3)c(C)c2)c(OC)c1 ZINC000427649016 975223934 /nfs/dbraw/zinc/22/39/34/975223934.db2.gz UNZNLLFSFIYIQV-UHFFFAOYSA-N 0 2 414.483 3.884 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ncc(-c3ccccn3)s2)c1 ZINC000427778623 975283134 /nfs/dbraw/zinc/28/31/34/975283134.db2.gz BOVXMVLGKVAPTB-UHFFFAOYSA-N 0 2 423.903 3.836 20 0 HHADLN Cc1nc2ccc(S(=O)(=O)Nc3ccnn3Cc3ccc(F)cc3)cc2s1 ZINC000427789673 975290051 /nfs/dbraw/zinc/29/00/51/975290051.db2.gz PGPMJOFSYDIARL-UHFFFAOYSA-N 0 2 402.476 3.789 20 0 HHADLN C[C@@H](CCCC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000427974919 975371868 /nfs/dbraw/zinc/37/18/68/975371868.db2.gz SGOZSYBOMZPBCY-NSHDSACASA-N 0 2 421.466 3.795 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N1C[C@H]2CCCC[C@@H]2C1 ZINC000428871212 976161838 /nfs/dbraw/zinc/16/18/38/976161838.db2.gz ICTOIOBLOVXGPC-ZIAGYGMSSA-N 0 2 406.533 3.598 20 0 HHADLN O=C(Nc1ccnn1Cc1ccc(F)cc1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000429990320 977252811 /nfs/dbraw/zinc/25/28/11/977252811.db2.gz KPUIYTIFFPKGND-UHFFFAOYSA-N 0 2 423.231 3.660 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)c(F)cc1F ZINC000430349935 977495180 /nfs/dbraw/zinc/49/51/80/977495180.db2.gz FZEKZVTWNSCGPV-UHFFFAOYSA-N 0 2 416.877 3.560 20 0 HHADLN Cc1nn(C)cc1[C@H](C)NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430556382 977629886 /nfs/dbraw/zinc/62/98/86/977629886.db2.gz QJYXCFOTLUXGTC-AWEZNQCLSA-N 0 2 402.454 3.853 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)cc2)o1)c1ccccc1OC(F)(F)F ZINC000430678353 977688791 /nfs/dbraw/zinc/68/87/91/977688791.db2.gz MIJDVDNNSRBDRU-UHFFFAOYSA-N 0 2 403.313 3.575 20 0 HHADLN NC(=O)Nc1cc(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)ccc1F ZINC000431165585 978066109 /nfs/dbraw/zinc/06/61/09/978066109.db2.gz FRXRMMFAWPEMHT-UHFFFAOYSA-N 0 2 411.764 3.789 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)c1 ZINC000431315232 978200074 /nfs/dbraw/zinc/20/00/74/978200074.db2.gz XQLKFGLPQUQGEI-UHFFFAOYSA-N 0 2 423.541 3.648 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)cs1 ZINC000431317431 978202588 /nfs/dbraw/zinc/20/25/88/978202588.db2.gz GXDQOJFECLBBOU-UHFFFAOYSA-N 0 2 415.905 3.507 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)c2ccccc12 ZINC000431317957 978203415 /nfs/dbraw/zinc/20/34/15/978203415.db2.gz IDJXABMGHUVBEV-UHFFFAOYSA-N 0 2 403.407 3.910 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)c1C ZINC000431324038 978209262 /nfs/dbraw/zinc/20/92/62/978209262.db2.gz SLIOHNICLVNNTR-UHFFFAOYSA-N 0 2 417.512 3.718 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2nnc(SCc3cccs3)s2)c1C ZINC000431331953 978216749 /nfs/dbraw/zinc/21/67/49/978216749.db2.gz KIACRCAIHKHMPM-UHFFFAOYSA-N 0 2 415.591 3.526 20 0 HHADLN O=c1ccc2cc(S(=O)(=O)Nc3nnc(-c4ccccc4Cl)s3)ccc2[nH]1 ZINC000431332823 978217628 /nfs/dbraw/zinc/21/76/28/978217628.db2.gz NTJIVJJSZVFJKM-UHFFFAOYSA-N 0 2 418.887 3.501 20 0 HHADLN CCCc1c(NS(=O)(=O)c2c(OC)cccc2OC)cnn1-c1ccc(C)cc1 ZINC000431902278 978588161 /nfs/dbraw/zinc/58/81/61/978588161.db2.gz LBHAFRDILASROO-UHFFFAOYSA-N 0 2 415.515 3.951 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(F)c(OC)c2)cnn1-c1ccc(F)cc1 ZINC000432075431 978670118 /nfs/dbraw/zinc/67/01/18/978670118.db2.gz JVFUHDUBRCMCLX-UHFFFAOYSA-N 0 2 407.442 3.912 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)=N1 ZINC000432282317 978742872 /nfs/dbraw/zinc/74/28/72/978742872.db2.gz BRDLHGQLNRWPIF-IBGZPJMESA-N 0 2 415.852 3.893 20 0 HHADLN O=S(=O)(Nc1cnccc1-c1ccccc1)c1ccc(OCC(F)(F)F)nc1 ZINC000432345326 978769210 /nfs/dbraw/zinc/76/92/10/978769210.db2.gz HCIUHZXTFRHMAC-UHFFFAOYSA-N 0 2 409.389 3.886 20 0 HHADLN Cc1noc(C)c1S(=O)(=O)Nc1cccnc1Nc1ccc(Br)cc1 ZINC000432352161 978772948 /nfs/dbraw/zinc/77/29/48/978772948.db2.gz WCVXZZKPHMCOTK-UHFFFAOYSA-N 0 2 423.292 3.993 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)n(Cc2ccccn2)n1 ZINC000432375134 978784415 /nfs/dbraw/zinc/78/44/15/978784415.db2.gz RDKLOCRWGNLLOA-UHFFFAOYSA-N 0 2 414.384 3.594 20 0 HHADLN C[C@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)c1ccc(Br)cn1 ZINC000432415303 978801914 /nfs/dbraw/zinc/80/19/14/978801914.db2.gz BYTUCMNMALCMKR-QMMMGPOBSA-N 0 2 410.322 3.729 20 0 HHADLN O=S(=O)(Nc1cccc(-c2noc(C3CC3)n2)c1)c1cnc(-c2ccccc2)nc1 ZINC000432476401 978835676 /nfs/dbraw/zinc/83/56/76/978835676.db2.gz KEDLQMATUFILJK-UHFFFAOYSA-N 0 2 419.466 3.872 20 0 HHADLN CC(C)Oc1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)ccc1C(N)=O ZINC000432490233 978844745 /nfs/dbraw/zinc/84/47/45/978844745.db2.gz OIFAIDHRJRIXJQ-UHFFFAOYSA-N 0 2 403.287 3.680 20 0 HHADLN CC(C)n1cc(S(=O)(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)cn1 ZINC000432531245 978867924 /nfs/dbraw/zinc/86/79/24/978867924.db2.gz ONQMGEYRKFDFOK-INIZCTEOSA-N 0 2 403.533 3.585 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc(Br)c(C)c3)cnc2c1Cl ZINC000432745545 978956914 /nfs/dbraw/zinc/95/69/14/978956914.db2.gz VAKPXSDLCVLCHI-UHFFFAOYSA-N 0 2 415.700 3.563 20 0 HHADLN COc1cc(C)c(S(=O)(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1C(C)C ZINC000432858458 978994151 /nfs/dbraw/zinc/99/41/51/978994151.db2.gz JCLHHNAGZOKYCS-UHFFFAOYSA-N 0 2 421.544 3.658 20 0 HHADLN O=S(=O)(Cc1c(F)cccc1F)Nc1ccc(F)cc1-c1nc(C2CC2)no1 ZINC000432952184 979021444 /nfs/dbraw/zinc/02/14/44/979021444.db2.gz WOCGGLXBKYNACB-UHFFFAOYSA-N 0 2 409.389 3.973 20 0 HHADLN Cn1nc([C@H]2CCCO2)cc1NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000432958866 979024686 /nfs/dbraw/zinc/02/46/86/979024686.db2.gz HIRNNYDPOBYPQI-OAHLLOKOSA-N 0 2 420.560 3.980 20 0 HHADLN Cn1nc(-c2ccc(F)cc2F)cc1NS(=O)(=O)c1ccc2ncccc2c1 ZINC000432962171 979025847 /nfs/dbraw/zinc/02/58/47/979025847.db2.gz VRHWORQREBELLT-UHFFFAOYSA-N 0 2 400.410 3.714 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)nn2C)c2ccccc12 ZINC000432967145 979027926 /nfs/dbraw/zinc/02/79/26/979027926.db2.gz OPAUHQGCUJQNED-SFHVURJKSA-N 0 2 401.488 3.624 20 0 HHADLN CCC(CC)n1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)n1 ZINC000433092730 979069227 /nfs/dbraw/zinc/06/92/27/979069227.db2.gz XQLCNTLYZSAWKG-UHFFFAOYSA-N 0 2 419.532 3.754 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)ccc1C ZINC000433117447 979080937 /nfs/dbraw/zinc/08/09/37/979080937.db2.gz OQTPGTOCTDMIHJ-UHFFFAOYSA-N 0 2 403.460 3.620 20 0 HHADLN CCNC(=O)COc1ccc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)cc1 ZINC000433531254 979362003 /nfs/dbraw/zinc/36/20/03/979362003.db2.gz XOJKGOALDADZDY-UHFFFAOYSA-N 0 2 424.931 3.870 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(-c4nc(C5CC5)no4)cc3)s[nH]2)c1 ZINC000433726227 979519886 /nfs/dbraw/zinc/51/98/86/979519886.db2.gz HJLBRCBRWZAHPP-UHFFFAOYSA-N 0 2 419.466 3.815 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)s[nH]1 ZINC000433878194 979645018 /nfs/dbraw/zinc/64/50/18/979645018.db2.gz PEHQMSYCOSWVDX-HNNXBMFYSA-N 0 2 420.966 3.897 20 0 HHADLN Cc1cccc(CN(Cc2cccc(C)n2)C(=O)N=c2nc(C(C)(C)C)[nH]s2)n1 ZINC000435127027 980658289 /nfs/dbraw/zinc/65/82/89/980658289.db2.gz UDDFEZJSYUTOBI-UHFFFAOYSA-N 0 2 410.547 3.899 20 0 HHADLN O=C1C[C@H](c2cccc(NS(=O)(=O)c3c(Cl)cccc3C(F)(F)F)c2)CN1 ZINC000435132730 980663845 /nfs/dbraw/zinc/66/38/45/980663845.db2.gz LBOIIODAUCRKEK-NSHDSACASA-N 0 2 418.824 3.763 20 0 HHADLN COCCOc1cc(C)ccc1NS(=O)(=O)c1cc(F)ccc1Br ZINC000435141576 980673975 /nfs/dbraw/zinc/67/39/75/980673975.db2.gz AGBRSDRHLYWQNZ-UHFFFAOYSA-N 0 2 418.284 3.723 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2ccnn2CC(C)C)cc1Cl ZINC000435195832 980712949 /nfs/dbraw/zinc/71/29/49/980712949.db2.gz AMIUFLQUTUMQPO-UHFFFAOYSA-N 0 2 422.732 3.764 20 0 HHADLN CCNC(=O)c1ccc(C)c(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435483509 980894784 /nfs/dbraw/zinc/89/47/84/980894784.db2.gz KZYNHSYYJCKLOG-UHFFFAOYSA-N 0 2 405.278 3.991 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(C(=O)c2cccc(O)c2)cc1 ZINC000435875880 981073006 /nfs/dbraw/zinc/07/30/06/981073006.db2.gz GBERTWLGIAFOIJ-UHFFFAOYSA-N 0 2 419.462 3.606 20 0 HHADLN O=S(=O)(Nc1nnc(CC(F)(F)F)s1)c1c(Cl)cc(F)cc1Cl ZINC000435891497 981079275 /nfs/dbraw/zinc/07/92/75/981079275.db2.gz FVRHQJBIFFFEQQ-UHFFFAOYSA-N 0 2 410.201 3.890 20 0 HHADLN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)c(C)c1 ZINC000436019875 981159981 /nfs/dbraw/zinc/15/99/81/981159981.db2.gz XQAASTFDCOKBMJ-INIZCTEOSA-N 0 2 424.526 3.781 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cc(C)cc(F)c2)c(OC)cc1Br ZINC000436177690 981236492 /nfs/dbraw/zinc/23/64/92/981236492.db2.gz TZYAOGPLGKSGEX-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN Cc1cnn(-c2ccc(C)cc2NS(=O)(=O)c2cnc(-c3ccccc3)nc2)c1 ZINC000436180785 981238261 /nfs/dbraw/zinc/23/82/61/981238261.db2.gz XQTFKYGADUJPLO-UHFFFAOYSA-N 0 2 405.483 3.747 20 0 HHADLN O=C1CCc2cc(NS(=O)(=O)c3cccc(F)c3F)ccc2N1CC(F)(F)F ZINC000436197727 981245558 /nfs/dbraw/zinc/24/55/58/981245558.db2.gz LGVLRRWYEITJMA-UHFFFAOYSA-N 0 2 420.359 3.607 20 0 HHADLN O=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1cc(C(F)(F)F)ccc1O ZINC000436478613 981394817 /nfs/dbraw/zinc/39/48/17/981394817.db2.gz MYZIVWRRIKWPPU-UHFFFAOYSA-N 0 2 411.361 3.794 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)Nc1cc(C)cnc1OC ZINC000436518559 981413655 /nfs/dbraw/zinc/41/36/55/981413655.db2.gz KOBLXRBYLJEYHJ-SFHVURJKSA-N 0 2 423.517 3.643 20 0 HHADLN O=C(N[C@H]1CCCN(C(=O)c2cc(F)c(O)c(F)c2)C1)c1ccc2ccccc2c1 ZINC000436525803 981418259 /nfs/dbraw/zinc/41/82/59/981418259.db2.gz OVPHZTGXILLRJX-SFHVURJKSA-N 0 2 410.420 3.858 20 0 HHADLN CCC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(F)ccc2Br)c1 ZINC000436605495 981470385 /nfs/dbraw/zinc/47/03/85/981470385.db2.gz LCCCANVSWPXLMP-UHFFFAOYSA-N 0 2 402.241 3.687 20 0 HHADLN C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436622576 981479748 /nfs/dbraw/zinc/47/97/48/981479748.db2.gz DQGGRXSJORUWJP-QAPCUYQASA-N 0 2 400.906 3.648 20 0 HHADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)[C@H](C)C1 ZINC000436639162 981488366 /nfs/dbraw/zinc/48/83/66/981488366.db2.gz JCNBJADPOWIFCD-CQSZACIVSA-N 0 2 406.885 3.930 20 0 HHADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)[C@H](C)C1 ZINC000436639162 981488370 /nfs/dbraw/zinc/48/83/70/981488370.db2.gz JCNBJADPOWIFCD-CQSZACIVSA-N 0 2 406.885 3.930 20 0 HHADLN CCN(CC(C)(C)C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O ZINC000436669837 981502546 /nfs/dbraw/zinc/50/25/46/981502546.db2.gz BPZOEKCVUYSJBF-UHFFFAOYSA-N 0 2 420.531 3.710 20 0 HHADLN C[C@@H]1CN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])C[C@H](C)[N@H+]1C ZINC000436691988 981515238 /nfs/dbraw/zinc/51/52/38/981515238.db2.gz WAJNNYNZPSUTNT-TXEJJXNPSA-N 0 2 407.923 3.524 20 0 HHADLN C[C@@H]1CN(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])C[C@H](C)[N@@H+]1C ZINC000436691988 981515242 /nfs/dbraw/zinc/51/52/42/981515242.db2.gz WAJNNYNZPSUTNT-TXEJJXNPSA-N 0 2 407.923 3.524 20 0 HHADLN CCOC(=O)C1CCC(NC(=O)c2cc(Cl)cc(Br)c2O)CC1 ZINC000436715533 981527528 /nfs/dbraw/zinc/52/75/28/981527528.db2.gz XIDGMFMMGXEJEK-UHFFFAOYSA-N 0 2 404.688 3.660 20 0 HHADLN COc1ccccc1O[C@H]1CCCN(C(=O)c2cc(F)cc(Br)c2O)C1 ZINC000436730074 981535611 /nfs/dbraw/zinc/53/56/11/981535611.db2.gz VBDCSHSSIZAOHU-ZDUSSCGKSA-N 0 2 424.266 3.986 20 0 HHADLN COc1ccc(NC(=O)c2cc(Cl)c3ccccc3c2O)cc1NS(C)(=O)=O ZINC000436753624 981546564 /nfs/dbraw/zinc/54/65/64/981546564.db2.gz DXMFUDMDYAWHKZ-UHFFFAOYSA-N 0 2 420.874 3.831 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCC(n2cc(Br)cn2)CC1 ZINC000436783824 981560045 /nfs/dbraw/zinc/56/00/45/981560045.db2.gz NSONTDKSEWSTNX-UHFFFAOYSA-N 0 2 402.651 3.621 20 0 HHADLN O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1cc(Cl)cc(Br)c1O ZINC000436808154 981570652 /nfs/dbraw/zinc/57/06/52/981570652.db2.gz NGTNCQSTSJMJEH-BMIGLBTASA-N 0 2 406.729 3.593 20 0 HHADLN COCCN1C(=O)CCc2cc(NC(=O)c3c(O)cc(Cl)cc3Cl)ccc21 ZINC000436837677 981583626 /nfs/dbraw/zinc/58/36/26/981583626.db2.gz IJJPYAQVEWNDCY-UHFFFAOYSA-N 0 2 409.269 3.877 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000436847635 981588289 /nfs/dbraw/zinc/58/82/89/981588289.db2.gz GDKXLALFANDUJS-UHFFFAOYSA-N 0 2 416.250 3.678 20 0 HHADLN C[C@H](c1ccsc1)N1CCN(C(=O)c2cc(F)cc(Br)c2O)CC1 ZINC000436847683 981588392 /nfs/dbraw/zinc/58/83/92/981588392.db2.gz GIJXICRFLQREMF-LLVKDONJSA-N 0 2 413.312 3.874 20 0 HHADLN COCCOc1ccc(NC(=O)c2cc(F)cc(Br)c2O)cc1F ZINC000436856446 981594131 /nfs/dbraw/zinc/59/41/31/981594131.db2.gz YCCCEFUMCVSMHZ-UHFFFAOYSA-N 0 2 402.191 3.710 20 0 HHADLN C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2O)C[C@@H](c2ccsc2)O1 ZINC000436864548 981596586 /nfs/dbraw/zinc/59/65/86/981596586.db2.gz NXYOQZHGJPRZBT-OTYXRUKQSA-N 0 2 400.269 3.958 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000436886633 981601871 /nfs/dbraw/zinc/60/18/71/981601871.db2.gz HMQXYTKOHZZMMD-MEBBXXQBSA-N 0 2 416.193 3.520 20 0 HHADLN O=C(NCCc1nc(-c2ccccn2)cs1)c1cc(F)cc(Br)c1O ZINC000436889590 981602677 /nfs/dbraw/zinc/60/26/77/981602677.db2.gz RINNNSZDEPLWCB-UHFFFAOYSA-N 0 2 422.279 3.785 20 0 HHADLN COc1ccccc1NC(=O)C1CCN(C(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000436917944 981622710 /nfs/dbraw/zinc/62/27/10/981622710.db2.gz DHCNSHXRSVTURJ-UHFFFAOYSA-N 0 2 406.841 3.684 20 0 HHADLN COc1ccc(Cl)cc1CN1CCN(C(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000436920588 981625143 /nfs/dbraw/zinc/62/51/43/981625143.db2.gz HKLNUCYENBDDRM-UHFFFAOYSA-N 0 2 413.276 3.805 20 0 HHADLN O=S(=O)(Nc1ccccc1Cl)c1ccc(O)c(-c2nc(-c3ccon3)no2)c1 ZINC000436940874 981635696 /nfs/dbraw/zinc/63/56/96/981635696.db2.gz ANOIUVPMKIBDAN-UHFFFAOYSA-N 0 2 418.818 3.551 20 0 HHADLN O=C(N[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)c1cc(F)c(O)c(F)c1 ZINC000436986268 981668255 /nfs/dbraw/zinc/66/82/55/981668255.db2.gz QVFPUUXEMQBTIV-CYBMUJFWSA-N 0 2 401.196 3.513 20 0 HHADLN CCn1cnnc1-c1cccc(NC(=O)c2cc(F)cc(Br)c2O)c1 ZINC000436994948 981674165 /nfs/dbraw/zinc/67/41/65/981674165.db2.gz BARQMQNKXZFLMF-UHFFFAOYSA-N 0 2 405.227 3.825 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(Cl)c2)s1)c1ccc(F)cc1F ZINC000437165648 981817414 /nfs/dbraw/zinc/81/74/14/981817414.db2.gz MSKLIXVTBRKNGJ-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc1F ZINC000437171378 981825668 /nfs/dbraw/zinc/82/56/68/981825668.db2.gz KQILKWFSWVLXCO-UHFFFAOYSA-N 0 2 413.883 3.731 20 0 HHADLN CCCCc1nnc(NS(=O)(=O)c2c3ccccc3sc2C(=O)OC)s1 ZINC000437173339 981828887 /nfs/dbraw/zinc/82/88/87/981828887.db2.gz SQFCRXFCIKOUND-UHFFFAOYSA-N 0 2 411.530 3.683 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2F)s1)c1cccc(Cl)c1F ZINC000437180264 981836516 /nfs/dbraw/zinc/83/65/16/981836516.db2.gz JZXCMYFXYLKCJG-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN O=S(=O)(Nc1nnc(CC2CCCCC2)s1)c1cnn(-c2ccccc2)c1 ZINC000437181315 981838664 /nfs/dbraw/zinc/83/86/64/981838664.db2.gz FTFASVDSOSJAAH-UHFFFAOYSA-N 0 2 403.533 3.647 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)NCc1ccncc1 ZINC000448541601 981870105 /nfs/dbraw/zinc/87/01/05/981870105.db2.gz ICAQTAQRCZFEMF-UHFFFAOYSA-N 0 2 414.462 3.652 20 0 HHADLN CC(C)c1cccc(S(=O)(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)c1 ZINC000437394081 982038027 /nfs/dbraw/zinc/03/80/27/982038027.db2.gz LOTNFWVAEUFBLJ-GJZGRUSLSA-N 0 2 409.577 3.677 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(N3CCCC3)nc2)cnn1-c1ccc(Cl)cc1 ZINC000437397730 982042289 /nfs/dbraw/zinc/04/22/89/982042289.db2.gz SXIVCLPIIOMZOJ-UHFFFAOYSA-N 0 2 417.922 3.630 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3sccc3C)s2)c1 ZINC000437399217 982043763 /nfs/dbraw/zinc/04/37/63/982043763.db2.gz ZLDISGCFCLZWEG-UHFFFAOYSA-N 0 2 408.526 3.691 20 0 HHADLN O=C(N[C@H]1C[C@@H]1c1ccccc1OC(F)F)C1=NN(c2ccc(F)cc2)CC1=O ZINC000437402251 982045763 /nfs/dbraw/zinc/04/57/63/982045763.db2.gz BNJVBSBWZNRGGJ-CABCVRRESA-N 0 2 403.360 3.604 20 0 HHADLN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 ZINC000437402934 982047494 /nfs/dbraw/zinc/04/74/94/982047494.db2.gz DXZXMMIZYHQLQN-UHFFFAOYSA-N 0 2 406.529 3.938 20 0 HHADLN O=S(=O)(Nc1ccnn1-c1cccc(Cl)c1)c1cnn(-c2ccccc2F)c1 ZINC000437425161 982065112 /nfs/dbraw/zinc/06/51/12/982065112.db2.gz XPIUMSBZWXPSQF-UHFFFAOYSA-N 0 2 417.853 3.651 20 0 HHADLN C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ccc(Br)c(F)c2)C1=O ZINC000460384512 982163151 /nfs/dbraw/zinc/16/31/51/982163151.db2.gz JHNZXIZWCQSYSS-LLVKDONJSA-N 0 2 407.239 3.731 20 0 HHADLN C[C@@H](NC(=O)N=c1nc(C(C)(C)C)[nH]s1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000437794751 982361313 /nfs/dbraw/zinc/36/13/13/982361313.db2.gz DRAXUXRGGREYII-PBHICJAKSA-N 0 2 418.563 3.704 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3ccccc3CC(F)(F)F)c(F)cc2N1 ZINC000460824462 982576369 /nfs/dbraw/zinc/57/63/69/982576369.db2.gz RJMIQJRWSOERRX-UHFFFAOYSA-N 0 2 402.369 3.616 20 0 HHADLN O=S(=O)(Nc1cccc(COCC2CC2)c1)c1cnn(-c2ccccc2F)c1 ZINC000460835233 982584956 /nfs/dbraw/zinc/58/49/56/982584956.db2.gz YQQAAERRHGOHSN-UHFFFAOYSA-N 0 2 401.463 3.739 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2ccc3ccn(C)c3c2)cn1 ZINC000460842125 982590138 /nfs/dbraw/zinc/59/01/38/982590138.db2.gz XNTGGZMLCPXSNU-UHFFFAOYSA-N 0 2 416.890 3.827 20 0 HHADLN C[C@H]1Cc2cc(S(=O)(=O)Nc3csc(-c4ccncc4)n3)cc(Cl)c2O1 ZINC000461109704 982798861 /nfs/dbraw/zinc/79/88/61/982798861.db2.gz FHHZLJDNIVYDOR-JTQLQIEISA-N 0 2 407.904 3.983 20 0 HHADLN O=S(=O)(CCc1ccccc1Br)Nc1cc(F)cc(Cl)c1O ZINC000461339154 983027113 /nfs/dbraw/zinc/02/71/13/983027113.db2.gz NXDVOHDTTXKYCG-UHFFFAOYSA-N 0 2 408.676 3.932 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)[C@@H]1C[C@@]12CCOC2 ZINC000461354818 983034724 /nfs/dbraw/zinc/03/47/24/983034724.db2.gz RVBIJTKASNAITB-ORAYPTAESA-N 0 2 424.881 3.645 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(C)c(OCC(F)F)c2)cn1 ZINC000438761972 983053634 /nfs/dbraw/zinc/05/36/34/983053634.db2.gz FLKARNMDEQAJMD-UHFFFAOYSA-N 0 2 423.441 3.634 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc3cnn(C(C)C)c3c2)cn1 ZINC000438768261 983058668 /nfs/dbraw/zinc/05/86/68/983058668.db2.gz YVUIHRKVYRRPIN-UHFFFAOYSA-N 0 2 411.487 3.612 20 0 HHADLN CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1csc(C(=O)OC)c1 ZINC000438791553 983073097 /nfs/dbraw/zinc/07/30/97/983073097.db2.gz NFKYLQFYNQWOPG-UHFFFAOYSA-N 0 2 409.407 3.753 20 0 HHADLN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccccc3OC3CCCC3)cc2o1 ZINC000438791781 983073106 /nfs/dbraw/zinc/07/31/06/983073106.db2.gz GYXXPHADFLIMRW-UHFFFAOYSA-N 0 2 408.863 3.897 20 0 HHADLN CCOc1ccc(Oc2ccccc2NS(=O)(=O)c2c[nH]c(C(=O)OC)c2)cc1 ZINC000438796792 983076627 /nfs/dbraw/zinc/07/66/27/983076627.db2.gz RVEIFEVNNAEDGE-UHFFFAOYSA-N 0 2 416.455 3.793 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc3oc(C4CC4)nc3c2)cn1 ZINC000438801395 983079754 /nfs/dbraw/zinc/07/97/54/983079754.db2.gz RYKSWYAIPJBFTH-UHFFFAOYSA-N 0 2 410.455 3.700 20 0 HHADLN Cc1ccc(CN2CCOCC2)cc1NS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000439016379 983212061 /nfs/dbraw/zinc/21/20/61/983212061.db2.gz XSIOTWHPUKHHEE-UHFFFAOYSA-N 0 2 408.589 3.987 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N(C)Cc2nc(C(F)(F)F)cs2)=N1 ZINC000439081750 983241900 /nfs/dbraw/zinc/24/19/00/983241900.db2.gz YFTFRGDNZGDGPU-UHFFFAOYSA-N 0 2 410.421 3.888 20 0 HHADLN CCO[C@H](C)c1nc(CN(C)C(=O)C2=NN(c3ccccc3CC)CC2=O)cs1 ZINC000439107959 983253399 /nfs/dbraw/zinc/25/33/99/983253399.db2.gz CMZLBWYQLNVLFF-CQSZACIVSA-N 0 2 414.531 3.967 20 0 HHADLN COCc1nc2scc(-c3ccccc3)c2c(N2CCC(c3n[nH]c(=O)[nH]3)CC2)n1 ZINC000439126939 983263119 /nfs/dbraw/zinc/26/31/19/983263119.db2.gz GPBKXPJBBBQAOJ-UHFFFAOYSA-N 0 2 422.514 3.712 20 0 HHADLN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000439127866 983263632 /nfs/dbraw/zinc/26/36/32/983263632.db2.gz CCNWKPPPTJGEDO-UTSGRSJNSA-N 0 2 408.745 3.618 20 0 HHADLN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000439127865 983263721 /nfs/dbraw/zinc/26/37/21/983263721.db2.gz CCNWKPPPTJGEDO-RUYXUOGBSA-N 0 2 408.745 3.618 20 0 HHADLN Cc1ccc(Cl)cc1N1CC[C@@H](CNC(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000439173841 983290806 /nfs/dbraw/zinc/29/08/06/983290806.db2.gz ZWGHEEUJRQSMPC-INIZCTEOSA-N 0 2 410.905 3.796 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NCCc3nc4cc(F)ccc4n3C)=N2)cc1 ZINC000439214292 983313564 /nfs/dbraw/zinc/31/35/64/983313564.db2.gz SIZVFVMUDYQDTK-UHFFFAOYSA-N 0 2 421.476 3.700 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cnccc2-c2cccc(F)c2)cc1C ZINC000439872020 983563479 /nfs/dbraw/zinc/56/34/79/983563479.db2.gz QFPDOKPPNJFODC-UHFFFAOYSA-N 0 2 400.431 3.784 20 0 HHADLN CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2c(Cl)ccc3ccccc32)c1 ZINC000440293414 983709002 /nfs/dbraw/zinc/70/90/02/983709002.db2.gz PEHFMXDSKSUMAD-UHFFFAOYSA-N 0 2 424.931 3.544 20 0 HHADLN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1cccnc1N1CCOCC1 ZINC000441838601 984490053 /nfs/dbraw/zinc/49/00/53/984490053.db2.gz ZPLZEHVQHGBPMF-UHFFFAOYSA-N 0 2 423.947 3.896 20 0 HHADLN CCC(C)(C)OCc1cccc(NC(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)c1C ZINC000441858299 984503717 /nfs/dbraw/zinc/50/37/17/984503717.db2.gz OIVKEBGQVUSGRX-UHFFFAOYSA-N 0 2 418.563 3.848 20 0 HHADLN Cc1c(COc2ccccc2)cccc1NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000441885890 984519199 /nfs/dbraw/zinc/51/91/99/984519199.db2.gz YZPLWWTUPXCIDJ-UHFFFAOYSA-N 0 2 424.526 3.722 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccc2)s1)c1ccccc1OC(F)(F)F ZINC000442114294 984644348 /nfs/dbraw/zinc/64/43/48/984644348.db2.gz SIEYTNDVARIJAD-UHFFFAOYSA-N 0 2 401.391 3.905 20 0 HHADLN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2c(-c3ccccc3)nc3ccccn32)cc1 ZINC000442598396 985082968 /nfs/dbraw/zinc/08/29/68/985082968.db2.gz CZVGHHHTLPBPNJ-UHFFFAOYSA-N 0 2 420.494 3.504 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)Cc2ccccc2F)c(F)c1Cl ZINC000462190205 985171966 /nfs/dbraw/zinc/17/19/66/985171966.db2.gz RZPQXHKZASIGFC-VIFPVBQESA-N 0 2 420.840 3.625 20 0 HHADLN CC(C)(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1 ZINC000442837306 985238128 /nfs/dbraw/zinc/23/81/28/985238128.db2.gz JNTGTYHHTCSBAV-UHFFFAOYSA-N 0 2 405.900 3.852 20 0 HHADLN COCCOc1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1Cl ZINC000442842669 985241760 /nfs/dbraw/zinc/24/17/60/985241760.db2.gz OTXFFFFMGCAXMX-UHFFFAOYSA-N 0 2 410.801 3.580 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)=N1 ZINC000442974994 985311313 /nfs/dbraw/zinc/31/13/13/985311313.db2.gz QLRAORXYBZDNIT-SYJLOODJSA-N 0 2 413.493 3.835 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cnccc2C(F)(F)F)nc1C(C)C ZINC000443145877 985405771 /nfs/dbraw/zinc/40/57/71/985405771.db2.gz NWIOCNZKPOAOLT-UHFFFAOYSA-N 0 2 423.438 3.658 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)cnc2C)c(OC)c1 ZINC000443147000 985406724 /nfs/dbraw/zinc/40/67/24/985406724.db2.gz NVYVKCJNRUOEFT-UHFFFAOYSA-N 0 2 412.467 3.653 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCCc3occc32)c(F)c1Cl ZINC000462460777 985421635 /nfs/dbraw/zinc/42/16/35/985421635.db2.gz UOGZTSHQOYRQKY-LLVKDONJSA-N 0 2 404.822 3.526 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)c2ccccc2C)c(F)c1Cl ZINC000462489723 985443515 /nfs/dbraw/zinc/44/35/15/985443515.db2.gz ZLMLOXFIISAVLI-JTQLQIEISA-N 0 2 402.850 3.925 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)c(F)c1Cl ZINC000462529202 985478452 /nfs/dbraw/zinc/47/84/52/985478452.db2.gz GQGZBRTWYJLTMP-JTQLQIEISA-N 0 2 402.850 3.925 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cccc(OCC)c2)cnn1-c1cc(C)ccn1 ZINC000443410764 985566636 /nfs/dbraw/zinc/56/66/36/985566636.db2.gz BFLSDZCBIKYSME-UHFFFAOYSA-N 0 2 400.504 3.728 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cnccc2-n2cc(C)cn2)c2ccccc12 ZINC000443416934 985573619 /nfs/dbraw/zinc/57/36/19/985573619.db2.gz LHDBICZUICIAEN-UHFFFAOYSA-N 0 2 408.483 3.928 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(F)c(Br)cc2F)c(C)c(OC)c1 ZINC000443420551 985577694 /nfs/dbraw/zinc/57/76/94/985577694.db2.gz VKGOJSDMDSPERU-UHFFFAOYSA-N 0 2 422.247 3.854 20 0 HHADLN Cc1nn(C)c2ncc(S(=O)(=O)Nc3cc(C4CCC4)nn3-c3ccccc3)cc12 ZINC000443421719 985578928 /nfs/dbraw/zinc/57/89/28/985578928.db2.gz DEGWTRQKBITCOL-UHFFFAOYSA-N 0 2 422.514 3.531 20 0 HHADLN C[C@@H]1CCC[C@H](OCc2cccc(NS(=O)(=O)c3cnn([C@@H]4CCOC4)c3)c2)C1 ZINC000443450956 985618977 /nfs/dbraw/zinc/61/89/77/985618977.db2.gz BWIMPKGMPGEFLV-AHRSYUTCSA-N 0 2 419.547 3.741 20 0 HHADLN Cc1csc(Sc2ccc(NS(=O)(=O)c3cnn([C@@H]4CCOC4)c3)cc2)n1 ZINC000443455169 985623909 /nfs/dbraw/zinc/62/39/09/985623909.db2.gz MPAAEIWGDZNLNG-CQSZACIVSA-N 0 2 422.557 3.561 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H](C)CCc2ccc(C)o2)c(F)c1Cl ZINC000462715877 985661711 /nfs/dbraw/zinc/66/17/11/985661711.db2.gz WYYFDMQICZTIJU-VIFPVBQESA-N 0 2 420.865 3.778 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2N[C@H](C)c2ccccc2)cn1 ZINC000443536401 985707335 /nfs/dbraw/zinc/70/73/35/985707335.db2.gz ZQTHQEYJPZFNNR-OAHLLOKOSA-N 0 2 411.483 3.842 20 0 HHADLN CCO[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccccc1 ZINC000443581060 985756272 /nfs/dbraw/zinc/75/62/72/985756272.db2.gz TVLREBHSNJIVQR-QGZVFWFLSA-N 0 2 417.512 3.660 20 0 HHADLN CSc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1 ZINC000443589629 985766340 /nfs/dbraw/zinc/76/63/40/985766340.db2.gz LMALLNIDGMEPTP-UHFFFAOYSA-N 0 2 405.526 3.918 20 0 HHADLN CCc1cccc(CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000443800857 986000496 /nfs/dbraw/zinc/00/04/96/986000496.db2.gz MEXANBVQKCTVRF-UHFFFAOYSA-N 0 2 401.513 3.688 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc2n[nH]cc2c(C)c1 ZINC000468349397 986046125 /nfs/dbraw/zinc/04/61/25/986046125.db2.gz ZKBJJTOPNFSVGK-GFCCVEGCSA-N 0 2 409.895 3.739 20 0 HHADLN Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1C ZINC000463104629 986064836 /nfs/dbraw/zinc/06/48/36/986064836.db2.gz IRALTBZDMNFSTD-UHFFFAOYSA-N 0 2 417.314 3.575 20 0 HHADLN COc1ccc([C@@H]2[C@H](C(=O)Nc3cc(Cl)c(O)c(Cl)c3)CC(=O)N2C)cc1 ZINC000463107146 986067771 /nfs/dbraw/zinc/06/77/71/986067771.db2.gz LIBRSIDLCPNFBA-CXAGYDPISA-N 0 2 409.269 3.866 20 0 HHADLN CNC(=O)c1cccc(CCC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c1 ZINC000463165240 986137013 /nfs/dbraw/zinc/13/70/13/986137013.db2.gz VHLUETMNRCZTSA-UHFFFAOYSA-N 0 2 418.284 3.709 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC(c4noc(C5CC5)n4)CC3)=N2)cc1 ZINC000463183516 986155554 /nfs/dbraw/zinc/15/55/54/986155554.db2.gz PUTJAUBEIBZFCC-UHFFFAOYSA-N 0 2 421.501 3.982 20 0 HHADLN Cc1cc(Br)cc(S(=O)(=O)Nc2nnc(-c3ccco3)s2)c1 ZINC000444051004 986249381 /nfs/dbraw/zinc/24/93/81/986249381.db2.gz QSPQZTBTKVWMAJ-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3ccc(Br)c(F)c3)o2)c(C)o1 ZINC000444053155 986252911 /nfs/dbraw/zinc/25/29/11/986252911.db2.gz AWAXXLQXPAWBAI-UHFFFAOYSA-N 0 2 416.228 3.649 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)cc1OC ZINC000468547006 986253478 /nfs/dbraw/zinc/25/34/78/986253478.db2.gz HBSAREKILQUXSZ-NSHDSACASA-N 0 2 403.859 3.702 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)Nc2nnc(-c3ccccc3)o2)s1 ZINC000444055197 986255074 /nfs/dbraw/zinc/25/50/74/986255074.db2.gz HEJAIUVXJTZGEF-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccccc2)ns1)c1ccc(C(F)(F)F)cc1F ZINC000444057346 986257978 /nfs/dbraw/zinc/25/79/78/986257978.db2.gz LLMQXUCFZIZKKL-UHFFFAOYSA-N 0 2 403.382 3.586 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3ccc(Br)cc3C)o2)c(C)o1 ZINC000444059455 986261127 /nfs/dbraw/zinc/26/11/27/986261127.db2.gz UGMOMXKZHRVWAX-UHFFFAOYSA-N 0 2 412.265 3.818 20 0 HHADLN O=C(NCc1cccnc1Oc1cccc(F)c1)C1=NN(c2ccccc2)CC1=O ZINC000468605835 986319645 /nfs/dbraw/zinc/31/96/45/986319645.db2.gz DBICGPVPMMRSHC-UHFFFAOYSA-N 0 2 404.401 3.834 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NCc3cccc(-c4cccnc4)c3)=N2)cc1 ZINC000468615753 986331484 /nfs/dbraw/zinc/33/14/84/986331484.db2.gz RIBAXUHVSUPHNP-UHFFFAOYSA-N 0 2 400.438 3.579 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NCc3cccc(NC(=O)N(C)C)c3)=N2)cc1 ZINC000468618939 986334408 /nfs/dbraw/zinc/33/44/08/986334408.db2.gz NFJFAOIQQGQQTA-UHFFFAOYSA-N 0 2 421.501 3.725 20 0 HHADLN COc1ccc(-c2nsc(NS(=O)(=O)c3cc(C)ccc3Cl)n2)cc1F ZINC000444205277 986385633 /nfs/dbraw/zinc/38/56/33/986385633.db2.gz LXESRWJCZYSCIC-UHFFFAOYSA-N 0 2 413.883 3.537 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)=N1 ZINC000468699297 986412714 /nfs/dbraw/zinc/41/27/14/986412714.db2.gz HIPQLNPIKUTHJP-HTAPYJJXSA-N 0 2 409.461 3.923 20 0 HHADLN Cc1ccc(-c2cnc(NS(=O)(=O)c3ccc(C)c(C(N)=O)c3)s2)c(C)c1 ZINC000468764788 986478370 /nfs/dbraw/zinc/47/83/70/986478370.db2.gz AWEKJLHUKNWJCK-UHFFFAOYSA-N 0 2 401.513 3.635 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000468843415 986553361 /nfs/dbraw/zinc/55/33/61/986553361.db2.gz FLAPYOKQPXLTQS-UHFFFAOYSA-N 0 2 416.883 3.915 20 0 HHADLN CCc1ccc2nc(NS(=O)(=O)c3cc(F)ccc3OCCOC)sc2c1 ZINC000468859387 986568983 /nfs/dbraw/zinc/56/89/83/986568983.db2.gz GTPDDBPWCQEUAS-UHFFFAOYSA-N 0 2 410.492 3.824 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCn4c(cc5ccccc54)C3)s[nH]2)c1 ZINC000463666187 986647389 /nfs/dbraw/zinc/64/73/89/986647389.db2.gz CVKBNJRACYPMKL-UHFFFAOYSA-N 0 2 405.483 3.638 20 0 HHADLN O=C(Nc1nc(-c2cccc3ccccc32)n[nH]1)c1cn(Cc2cccc(F)c2)nn1 ZINC000468995542 986701450 /nfs/dbraw/zinc/70/14/50/986701450.db2.gz PPRHJHZCXNPIOB-UHFFFAOYSA-N 0 2 413.416 3.656 20 0 HHADLN Cc1ccc(-n2[n-]c(C(=O)Nc3cccc(-c4[nH+]cc5n4CCCC5)c3)cc2=O)cc1 ZINC000444537832 986728009 /nfs/dbraw/zinc/72/80/09/986728009.db2.gz BCGLBFIAKHAFQS-UHFFFAOYSA-N 0 2 413.481 3.926 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2C(=O)OC)c2ncccc12 ZINC000463784745 986775164 /nfs/dbraw/zinc/77/51/64/986775164.db2.gz GONCQQNMMYKGMO-UHFFFAOYSA-N 0 2 400.456 3.529 20 0 HHADLN CC(C)c1ccccc1S(=O)(=O)Nc1nc(CN2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000469127616 986847247 /nfs/dbraw/zinc/84/72/47/986847247.db2.gz QDYCIGALOBEMMU-GJZGRUSLSA-N 0 2 409.577 3.677 20 0 HHADLN O=S(=O)(Nc1ncn(-c2ccccc2)n1)c1cc(Cl)ccc1OCC1CCC1 ZINC000469129437 986849811 /nfs/dbraw/zinc/84/98/11/986849811.db2.gz DQTIDOCIJXGRIG-UHFFFAOYSA-N 0 2 418.906 3.900 20 0 HHADLN CC[C@@H](c1n[n-]c(=NC(=O)N2CCC[C@@H](c3[nH+]ccn3C)C2)s1)c1ccccc1 ZINC000444888575 987038735 /nfs/dbraw/zinc/03/87/35/987038735.db2.gz KLILCVAPDPXHTJ-IAGOWNOFSA-N 0 2 410.547 3.647 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1c(F)cc(Br)cc1F ZINC000445773074 987836169 /nfs/dbraw/zinc/83/61/69/987836169.db2.gz BJMQTOKDFLFWNQ-UHFFFAOYSA-N 0 2 402.245 3.982 20 0 HHADLN CC(C)[C@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C(F)(F)F ZINC000470427840 988392581 /nfs/dbraw/zinc/39/25/81/988392581.db2.gz JNOKGKWSZCJIBR-LBPRGKRZSA-N 0 2 422.454 3.652 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)[C@H](C)Oc3cnc4ccccc4c3)s[nH]2)c1 ZINC000470883168 988954453 /nfs/dbraw/zinc/95/44/53/988954453.db2.gz MZEVUSPJCOTIMU-ZDUSSCGKSA-N 0 2 406.467 3.590 20 0 HHADLN Cn1cc(-c2nc3ccccn3c2NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cn1 ZINC000464906187 989180937 /nfs/dbraw/zinc/18/09/37/989180937.db2.gz MFCXCALHXMODJS-UHFFFAOYSA-N 0 2 422.297 3.842 20 0 HHADLN CCc1oc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1C ZINC000471097085 989193157 /nfs/dbraw/zinc/19/31/57/989193157.db2.gz ZTGYWIXJLWHRIN-UHFFFAOYSA-N 0 2 414.487 3.610 20 0 HHADLN COc1cccc(-c2nc(C(=O)Nc3nnc(Cc4ccccc4F)s3)no2)c1 ZINC000471273618 989423850 /nfs/dbraw/zinc/42/38/50/989423850.db2.gz QRGBWKRTLUGKND-UHFFFAOYSA-N 0 2 411.418 3.579 20 0 HHADLN O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)C1 ZINC000471295799 989456439 /nfs/dbraw/zinc/45/64/39/989456439.db2.gz HVANOVRFXDQLPK-OAHLLOKOSA-N 0 2 424.888 3.722 20 0 HHADLN CC(C)CC1(CNC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC1 ZINC000465236824 989586635 /nfs/dbraw/zinc/58/66/35/989586635.db2.gz KJGWFQWFPULPJD-UHFFFAOYSA-N 0 2 408.549 3.892 20 0 HHADLN COCCc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cc1 ZINC000471495768 989693004 /nfs/dbraw/zinc/69/30/04/989693004.db2.gz KZXCQXCCVZKWFU-UHFFFAOYSA-N 0 2 417.556 3.854 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(Cc3ccc(C)cc3)s2)cc1C ZINC000471505891 989704010 /nfs/dbraw/zinc/70/40/10/989704010.db2.gz CJXYEIVLPRQVFN-UHFFFAOYSA-N 0 2 403.529 3.864 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3ccc(C)c(Cl)c3)s2)c1 ZINC000471508474 989706616 /nfs/dbraw/zinc/70/66/16/989706616.db2.gz QRLJHJFBCDJPEI-UHFFFAOYSA-N 0 2 409.920 3.900 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nnc(-c3ccco3)s2)cc1Br ZINC000471511556 989710720 /nfs/dbraw/zinc/71/07/20/989710720.db2.gz ROSPIJIDMZPOOF-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3ccc4c(c3)CCCC4)s2)c1 ZINC000471524119 989724011 /nfs/dbraw/zinc/72/40/11/989724011.db2.gz XSPPXJQCRVVJSH-UHFFFAOYSA-N 0 2 415.540 3.817 20 0 HHADLN Cn1c(CSc2nc(=O)cc(O)n2C2CCCC2)nnc1-c1ccc(Cl)cc1 ZINC000471863311 990035326 /nfs/dbraw/zinc/03/53/26/990035326.db2.gz VDJNFXBIQONPAT-UHFFFAOYSA-N 0 2 417.922 3.805 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1c2c(nn1C(C)C)CCC2 ZINC000471897766 990068255 /nfs/dbraw/zinc/06/82/55/990068255.db2.gz JELBRJHGBOQQTN-UHFFFAOYSA-N 0 2 419.528 3.755 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)c(OC[C@H]2CCCO2)c1 ZINC000471912635 990080568 /nfs/dbraw/zinc/08/05/68/990080568.db2.gz ACPSDJHUZYTETA-CQSZACIVSA-N 0 2 404.463 3.974 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1 ZINC000471927370 990094167 /nfs/dbraw/zinc/09/41/67/990094167.db2.gz NNILACAOQOCCIV-UHFFFAOYSA-N 0 2 403.414 3.525 20 0 HHADLN CC1CCN(C(=O)c2ccc(NS(=O)(=O)c3c[nH]c4cccc(F)c43)cc2)CC1 ZINC000471936596 990101326 /nfs/dbraw/zinc/10/13/26/990101326.db2.gz KJEAQENCLORDLR-UHFFFAOYSA-N 0 2 415.490 3.980 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ccc(C(=O)N(C)C2CCCCC2)c(Cl)c1 ZINC000471938590 990103157 /nfs/dbraw/zinc/10/31/57/990103157.db2.gz DNWNSKUAGBMFTG-UHFFFAOYSA-N 0 2 424.954 3.762 20 0 HHADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)n1 ZINC000471948394 990111952 /nfs/dbraw/zinc/11/19/52/990111952.db2.gz XNDRABWJPPLIPS-UHFFFAOYSA-N 0 2 407.542 3.636 20 0 HHADLN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000471949034 990112825 /nfs/dbraw/zinc/11/28/25/990112825.db2.gz QJCZMPRSLMOMHE-UHFFFAOYSA-N 0 2 413.377 3.535 20 0 HHADLN CN1C(=O)c2cccc3c2c1ccc3S(=O)(=O)Nc1cc(F)cc(Cl)c1O ZINC000471981866 990148645 /nfs/dbraw/zinc/14/86/45/990148645.db2.gz WUMGFLRJUIDBQZ-UHFFFAOYSA-N 0 2 406.822 3.729 20 0 HHADLN CCCc1cccc(C(C)C)c1NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000472014267 990182347 /nfs/dbraw/zinc/18/23/47/990182347.db2.gz WQDNGGMSKNHCNY-UHFFFAOYSA-N 0 2 424.588 3.814 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2cccc3cc[nH]c32)c(F)c1Cl ZINC000466752147 992060186 /nfs/dbraw/zinc/06/01/86/992060186.db2.gz HHRYLOWDJQRBOM-UHFFFAOYSA-N 0 2 413.833 3.536 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)c1 ZINC000466956943 992266144 /nfs/dbraw/zinc/26/61/44/992266144.db2.gz CSIKRBZJSOYANE-HXUWFJFHSA-N 0 2 413.499 3.627 20 0 HHADLN O=S(=O)(Nc1nc2ccc(Br)cn2n1)c1cc(Cl)cc(Cl)c1 ZINC000466962708 992272701 /nfs/dbraw/zinc/27/27/01/992272701.db2.gz XQCYOPKGVDQDPJ-UHFFFAOYSA-N 0 2 422.091 3.599 20 0 HHADLN O=S(=O)(Nc1cc(C2CCCCC2)n[nH]1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000467027655 992336072 /nfs/dbraw/zinc/33/60/72/992336072.db2.gz AKOYPNLZASTZRE-AWEZNQCLSA-N 0 2 423.510 3.813 20 0 HHADLN CCn1c2ccc(S(=O)(=O)Nc3nc4c(cc(C)cc4C)s3)cc2oc1=O ZINC000467041037 992350367 /nfs/dbraw/zinc/35/03/67/992350367.db2.gz PORXSCDWDFVAKB-UHFFFAOYSA-N 0 2 403.485 3.642 20 0 HHADLN CCOc1cc2c(cc1NC(=O)N(C)Cc1nc(=O)c3sccc3[nH]1)O[C@@H](C)C2 ZINC000467108152 992417781 /nfs/dbraw/zinc/41/77/81/992417781.db2.gz ZHBOCBDMDSQURL-NSHDSACASA-N 0 2 414.487 3.783 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3ccc(F)cc3C(F)(F)F)c(F)cc2N1 ZINC000467416809 992719509 /nfs/dbraw/zinc/71/95/09/992719509.db2.gz HRAWUKOFNRAHCN-UHFFFAOYSA-N 0 2 406.332 3.669 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000467429341 992728921 /nfs/dbraw/zinc/72/89/21/992728921.db2.gz WRMHRLKDUMUQRW-IAGOWNOFSA-N 0 2 417.487 3.825 20 0 HHADLN COCc1ccc([C@@H]2CCCN2C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)o1 ZINC000467456896 992750544 /nfs/dbraw/zinc/75/05/44/992750544.db2.gz OBMDEOJDXLXMHH-INIZCTEOSA-N 0 2 414.487 3.744 20 0 HHADLN COC(=O)[C@H](c1ccccc1C(F)(F)F)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000467491505 992778813 /nfs/dbraw/zinc/77/88/13/992778813.db2.gz ICIYYSSHFUEACY-AWEZNQCLSA-N 0 2 411.405 3.762 20 0 HHADLN CN1CC[C@@H](NC(=O)N=c2nc(C(C)(C)C)[nH]s2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000472304384 993317112 /nfs/dbraw/zinc/31/71/12/993317112.db2.gz IDJQABJELXKLOG-ZIAGYGMSSA-N 0 2 411.934 3.617 20 0 HHADLN COc1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473474258 994318344 /nfs/dbraw/zinc/31/83/44/994318344.db2.gz BJFRRRVXRJLJJK-UHFFFAOYSA-N 0 2 410.250 3.959 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(-c2nccs2)cc1 ZINC000473497500 994343593 /nfs/dbraw/zinc/34/35/93/994343593.db2.gz JTPMHRPBYPMWCS-UHFFFAOYSA-N 0 2 406.471 3.829 20 0 HHADLN Cc1csc(-c2cccc(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)c2)n1 ZINC000481578953 994418612 /nfs/dbraw/zinc/41/86/12/994418612.db2.gz FKLUXJWDMFFPKT-UHFFFAOYSA-N 0 2 411.512 3.808 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(OC3CCCC3)c(F)c2)cnn1-c1ccccn1 ZINC000481591836 994438036 /nfs/dbraw/zinc/43/80/36/994438036.db2.gz MDXHXUHYNJMBDM-UHFFFAOYSA-N 0 2 416.478 3.837 20 0 HHADLN COc1c(Cl)cc(NS(=O)(=O)c2cnn(-c3ccccn3)c2C)cc1Cl ZINC000481592770 994438751 /nfs/dbraw/zinc/43/87/51/994438751.db2.gz KCCIOWICWYZUDC-UHFFFAOYSA-N 0 2 413.286 3.692 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cccc(Oc3ccncc3)c2)cnn1-c1ccccn1 ZINC000481622744 994485163 /nfs/dbraw/zinc/48/51/63/994485163.db2.gz QQOHJADRUINADE-UHFFFAOYSA-N 0 2 407.455 3.564 20 0 HHADLN CC[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481664620 994525054 /nfs/dbraw/zinc/52/50/54/994525054.db2.gz GXCHDJJYAHTCRN-LJQANCHMSA-N 0 2 418.950 3.675 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1cc(F)ccc1Br ZINC000473705170 994596719 /nfs/dbraw/zinc/59/67/19/994596719.db2.gz HPLQGODPQNAHII-UHFFFAOYSA-N 0 2 420.242 3.607 20 0 HHADLN CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2nnc(/C=C/c3ccco3)s2)c1 ZINC000473754858 994664094 /nfs/dbraw/zinc/66/40/94/994664094.db2.gz BDUNDMYUMZHHJR-CMDGGOBGSA-N 0 2 419.484 3.587 20 0 HHADLN O=S(=O)(Nc1ncc(C(F)(F)F)s1)c1ccc(F)cc1Br ZINC000473760999 994673943 /nfs/dbraw/zinc/67/39/43/994673943.db2.gz YCIZXFSBCLQMPF-UHFFFAOYSA-N 0 2 405.192 3.864 20 0 HHADLN Cc1cc(Br)cc(S(=O)(=O)Nc2nnc(-c3cccs3)o2)c1 ZINC000481838640 994690488 /nfs/dbraw/zinc/69/04/88/994690488.db2.gz IECKZISYECTJED-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN CN1CCc2ccc(S(=O)(=O)Nc3nnc(-c4ccc(Cl)cc4F)s3)cc21 ZINC000481842149 994696790 /nfs/dbraw/zinc/69/67/90/994696790.db2.gz HILVRNCNGIFMGL-UHFFFAOYSA-N 0 2 424.910 3.791 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3cnc4ccsc4c3)o2)cc1 ZINC000481846535 994701671 /nfs/dbraw/zinc/70/16/71/994701671.db2.gz XOMQROOFOCHEHH-UHFFFAOYSA-N 0 2 402.457 3.546 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C[NH+](C)C)c(Cl)c2)cc1Cl ZINC000481872772 994736747 /nfs/dbraw/zinc/73/67/47/994736747.db2.gz VGLTUSQIKSSKNW-UHFFFAOYSA-N 0 2 417.314 3.642 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ncc(-c3ccccc3)cn2)cc1Cl ZINC000481875499 994740776 /nfs/dbraw/zinc/74/07/76/994740776.db2.gz OJNJAWLSTKJIEI-UHFFFAOYSA-N 0 2 420.853 3.695 20 0 HHADLN Cc1ccsc1-c1nc(=NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)s[n-]1 ZINC000473820365 994748511 /nfs/dbraw/zinc/74/85/11/994748511.db2.gz JMHQVKZFYDGBBG-CYBMUJFWSA-N 0 2 403.533 3.549 20 0 HHADLN CCc1cc(Br)cc2sc(NS(=O)(=O)c3cncc(F)c3)nc21 ZINC000481884142 994749756 /nfs/dbraw/zinc/74/97/56/994749756.db2.gz URLHRCGXVPBJCV-UHFFFAOYSA-N 0 2 416.297 3.956 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(OCC(F)F)n2)c2ccccc12 ZINC000481942070 994818229 /nfs/dbraw/zinc/81/82/29/994818229.db2.gz IPMSHTYLABWYDR-UHFFFAOYSA-N 0 2 421.425 3.638 20 0 HHADLN C[C@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc(OC(F)F)cc1 ZINC000473894180 994848472 /nfs/dbraw/zinc/84/84/72/994848472.db2.gz JZYQXAAAISUTTQ-ZDUSSCGKSA-N 0 2 417.416 3.546 20 0 HHADLN C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473915825 994883264 /nfs/dbraw/zinc/88/32/64/994883264.db2.gz XBKLUMGOSKOPSP-QGZVFWFLSA-N 0 2 407.518 3.939 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2NC(=O)c2ccccc2)c1 ZINC000482079632 995016622 /nfs/dbraw/zinc/01/66/22/995016622.db2.gz SEJJHAOLNCSJLI-UHFFFAOYSA-N 0 2 412.467 3.757 20 0 HHADLN CC[C@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc(F)cc1F ZINC000474050113 995040175 /nfs/dbraw/zinc/04/01/75/995040175.db2.gz BOADILZCGLUZJC-KRWDZBQOSA-N 0 2 401.417 3.612 20 0 HHADLN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474090914 995073525 /nfs/dbraw/zinc/07/35/25/995073525.db2.gz VAOHMDGTLXAVBO-DOTOQJQBSA-N 0 2 409.465 3.610 20 0 HHADLN C[C@H]1C[C@H](c2ccccc2F)N(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1 ZINC000474091715 995074791 /nfs/dbraw/zinc/07/47/91/995074791.db2.gz ZPUZQTAKLAECKK-HNAYVOBHSA-N 0 2 409.465 3.816 20 0 HHADLN CCN(C(=O)NCc1nnc(COc2ccccc2)[nH]1)[C@H](C)Cc1ccc(OC)cc1 ZINC000474095832 995077818 /nfs/dbraw/zinc/07/78/18/995077818.db2.gz NVFZIOGTWBDWLS-QGZVFWFLSA-N 0 2 423.517 3.555 20 0 HHADLN C[C@H]1C[C@H]1c1ccc(CN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C2CC2)o1 ZINC000474096445 995078212 /nfs/dbraw/zinc/07/82/12/995078212.db2.gz OWTBKVCQBVPPLO-HNAYVOBHSA-N 0 2 421.501 3.974 20 0 HHADLN CCOc1ccc([C@H]2CCCN2C(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000474098352 995079735 /nfs/dbraw/zinc/07/97/35/995079735.db2.gz ROKBCFBDWGUGFM-HXUWFJFHSA-N 0 2 421.501 3.829 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CCc3ncsc3C2)cc1 ZINC000474420794 995384061 /nfs/dbraw/zinc/38/40/61/995384061.db2.gz HIGBYPJAGOKOGV-UHFFFAOYSA-N 0 2 419.553 3.512 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccc(OC2CCC2)cc1Cl ZINC000474571644 995533833 /nfs/dbraw/zinc/53/38/33/995533833.db2.gz CNRZWZIIBGBNKW-UHFFFAOYSA-N 0 2 412.877 3.898 20 0 HHADLN CC(C)OCc1c2ccccc2oc1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474581912 995542066 /nfs/dbraw/zinc/54/20/66/995542066.db2.gz VKCXAOTYPPHTGP-UHFFFAOYSA-N 0 2 420.469 3.985 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000474585361 995544495 /nfs/dbraw/zinc/54/44/95/995544495.db2.gz LLRDLNQWNXJOBC-IAGOWNOFSA-N 0 2 416.403 3.822 20 0 HHADLN O=C(CCn1ccc2cc(Cl)ccc21)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474588312 995547699 /nfs/dbraw/zinc/54/76/99/995547699.db2.gz BYIZGVJXZROXLJ-UHFFFAOYSA-N 0 2 409.877 3.698 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000474596527 995555106 /nfs/dbraw/zinc/55/51/06/995555106.db2.gz KQBLIXFDOWCNQS-KGLIPLIRSA-N 0 2 400.841 3.596 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000474596524 995555325 /nfs/dbraw/zinc/55/53/25/995555325.db2.gz KQBLIXFDOWCNQS-KBPBESRZSA-N 0 2 400.841 3.596 20 0 HHADLN O=C(CCc1nc(C2CCCC2)no1)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000474690699 995633783 /nfs/dbraw/zinc/63/37/83/995633783.db2.gz URQMWJLVEUDWMZ-UHFFFAOYSA-N 0 2 403.895 3.892 20 0 HHADLN CCCOc1cn(-c2ccccc2)nc1C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000482781853 995745038 /nfs/dbraw/zinc/74/50/38/995745038.db2.gz NVUBENOXYOJAES-UHFFFAOYSA-N 0 2 405.483 3.854 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccnc2cc(Br)cnc21 ZINC000475014154 995870435 /nfs/dbraw/zinc/87/04/35/995870435.db2.gz HIVWZLQASVHIPA-UHFFFAOYSA-N 0 2 402.277 3.739 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cn(C)nc1-c1ccc(Cl)s1 ZINC000475356869 996087368 /nfs/dbraw/zinc/08/73/68/996087368.db2.gz WXFDBHSJMRKSAF-UHFFFAOYSA-N 0 2 419.919 3.785 20 0 HHADLN Cc1cccc2c(=O)c(C(=O)N3CC[C@@H](Oc4ccc(C(F)(F)F)cn4)C3)c[nH]c12 ZINC000483308440 996090689 /nfs/dbraw/zinc/09/06/89/996090689.db2.gz QAIVXFXQZKXKNZ-CQSZACIVSA-N 0 2 417.387 3.544 20 0 HHADLN Cc1ccc2c(n1)[nH]cc(C(=O)N1CCO[C@H](c3cccc(C(F)(F)F)c3)C1)c2=O ZINC000475466026 996158727 /nfs/dbraw/zinc/15/87/27/996158727.db2.gz LCFBRFSHGVCZRS-KRWDZBQOSA-N 0 2 417.387 3.876 20 0 HHADLN O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000475489124 996173554 /nfs/dbraw/zinc/17/35/54/996173554.db2.gz YRAIRXMOQGLSQT-UHFFFAOYSA-N 0 2 412.812 3.886 20 0 HHADLN COc1ccccc1-c1noc([C@H](C)NC(=O)N=c2nc(-c3ccccc3)[nH]s2)n1 ZINC000475664335 996286376 /nfs/dbraw/zinc/28/63/76/996286376.db2.gz YCAFSOYPKVXKTG-LBPRGKRZSA-N 0 2 422.470 3.568 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cc1F ZINC000475751022 996347937 /nfs/dbraw/zinc/34/79/37/996347937.db2.gz WJERLCQGQBLESY-UHFFFAOYSA-N 0 2 421.425 3.989 20 0 HHADLN CCCc1nc(C)c(NS(=O)(=O)c2ccc(OC)cc2Br)s1 ZINC000475784812 996369646 /nfs/dbraw/zinc/36/96/46/996369646.db2.gz AKPCPENFFVAUHC-UHFFFAOYSA-N 0 2 405.339 3.976 20 0 HHADLN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3c(C)nn(CC)c3C)ccc2s1 ZINC000475802581 996381157 /nfs/dbraw/zinc/38/11/57/996381157.db2.gz BEPBDMKDRNLVRX-UHFFFAOYSA-N 0 2 407.517 3.712 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCC3(C)C)cc2)nc(C)n1 ZINC000483893750 996453122 /nfs/dbraw/zinc/45/31/22/996453122.db2.gz FSJCHKOTULZIEC-KRWDZBQOSA-N 0 2 402.520 3.659 20 0 HHADLN CCOC(=O)c1nc(NS(=O)(=O)c2csc3ccc(Cl)cc23)oc1C ZINC000484015028 996522516 /nfs/dbraw/zinc/52/25/16/996522516.db2.gz KTWXKNVKNAVVIF-UHFFFAOYSA-N 0 2 400.865 3.829 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(OC)c(C(C)C)c(OC)c1 ZINC000484060949 996547839 /nfs/dbraw/zinc/54/78/39/996547839.db2.gz QQBSAYWYLGACSI-UHFFFAOYSA-N 0 2 411.451 3.554 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1F ZINC000476090126 996588467 /nfs/dbraw/zinc/58/84/67/996588467.db2.gz MCAXAAQOHYUGQM-LLVKDONJSA-N 0 2 401.504 3.762 20 0 HHADLN CN(C)c1ccc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)cn1 ZINC000476188189 996666138 /nfs/dbraw/zinc/66/61/38/996666138.db2.gz CODDBCQJPLZCQN-UHFFFAOYSA-N 0 2 408.680 3.503 20 0 HHADLN Cc1cc(C)nc(NS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)n1 ZINC000476220647 996686130 /nfs/dbraw/zinc/68/61/30/996686130.db2.gz ILTHJJWUPLXBDJ-UHFFFAOYSA-N 0 2 411.108 3.964 20 0 HHADLN CCc1nnc(NS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)s1 ZINC000476223289 996687876 /nfs/dbraw/zinc/68/78/76/996687876.db2.gz QGTPHYVJVVDRIS-UHFFFAOYSA-N 0 2 417.137 3.971 20 0 HHADLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc3oc(C(F)(F)F)nc32)c1 ZINC000476238439 996697727 /nfs/dbraw/zinc/69/77/27/996697727.db2.gz YYOJLFHDQRKJIZ-UHFFFAOYSA-N 0 2 414.361 3.742 20 0 HHADLN COc1cc(F)ccc1NS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000476275062 996724359 /nfs/dbraw/zinc/72/43/59/996724359.db2.gz LBSZMEJKDYEONQ-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN COc1ccc(SCCC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)cc1 ZINC000476325995 996757358 /nfs/dbraw/zinc/75/73/58/996757358.db2.gz RDTSAIPOHRHQCO-UHFFFAOYSA-N 0 2 401.513 3.765 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cccc(NC(=O)c4ccco4)c3)s[nH]2)c1 ZINC000476345762 996769312 /nfs/dbraw/zinc/76/93/12/996769312.db2.gz FYLWKHQUJFZVGN-UHFFFAOYSA-N 0 2 420.450 3.733 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 ZINC000484487338 996809985 /nfs/dbraw/zinc/80/99/85/996809985.db2.gz MZAZJSBGGBXNHU-UHFFFAOYSA-N 0 2 419.459 3.603 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000484489600 996812064 /nfs/dbraw/zinc/81/20/64/996812064.db2.gz NTQKDOUITPCQHQ-UHFFFAOYSA-N 0 2 408.259 3.745 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000484513204 996843047 /nfs/dbraw/zinc/84/30/47/996843047.db2.gz JEJZHUWBSDPJHV-UHFFFAOYSA-N 0 2 411.405 3.838 20 0 HHADLN C[C@H](c1cccs1)N(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476419525 996884601 /nfs/dbraw/zinc/88/46/01/996884601.db2.gz STKYKSPXXLCPPP-GFCCVEGCSA-N 0 2 407.542 3.839 20 0 HHADLN CC(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476525558 997013873 /nfs/dbraw/zinc/01/38/73/997013873.db2.gz LYKSVAWRWUASMP-SJORKVTESA-N 0 2 407.561 3.889 20 0 HHADLN O=S(=O)(c1ccc2ncsc2c1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000476537372 997027336 /nfs/dbraw/zinc/02/73/36/997027336.db2.gz QXFOTOYCYRQRBP-MRXNPFEDSA-N 0 2 411.512 3.607 20 0 HHADLN C[C@H]1c2ccccc2CCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476546847 997040095 /nfs/dbraw/zinc/04/00/95/997040095.db2.gz MDGWTDDKJIVOIN-AWEZNQCLSA-N 0 2 413.524 3.703 20 0 HHADLN CC(C)[C@H](CNC(=O)[C@@H](C(C)C)S(=O)(=O)C1CCCCC1)N1CCC(C)CC1 ZINC000484710007 997048552 /nfs/dbraw/zinc/04/85/52/997048552.db2.gz RWYZLXXPTVWOBD-LEWJYISDSA-N 0 2 414.656 3.631 20 0 HHADLN COc1ccc(Br)cc1NC(=O)C(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC000484709690 997048822 /nfs/dbraw/zinc/04/88/22/997048822.db2.gz AGSBXBAFSRVCHV-HNNXBMFYSA-N 0 2 421.266 3.729 20 0 HHADLN CCc1n[nH]c(C2CC[NH+](CC(=O)N(C)Cc3ccc(Cl)c(Cl)c3)CC2)n1 ZINC000484724127 997064291 /nfs/dbraw/zinc/06/42/91/997064291.db2.gz GCOVGULXCJLVPK-UHFFFAOYSA-N 0 2 410.349 3.512 20 0 HHADLN Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4cn[nH]c43)ccc2C)c1 ZINC000484765469 997108129 /nfs/dbraw/zinc/10/81/29/997108129.db2.gz AXRYSESNBJTPJH-IBGZPJMESA-N 0 2 424.526 3.635 20 0 HHADLN CCN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(OC)cc1 ZINC000476715831 997260184 /nfs/dbraw/zinc/26/01/84/997260184.db2.gz LZIJSGUEYPBFFQ-UHFFFAOYSA-N 0 2 417.512 3.619 20 0 HHADLN O=C(Nc1cccc2cccnc21)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476716932 997260905 /nfs/dbraw/zinc/26/09/05/997260905.db2.gz OLFZKBRWUZSGSX-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN CCN(CCc1cccs1)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476720166 997265339 /nfs/dbraw/zinc/26/53/39/997265339.db2.gz RBZSCJAGUDOYGQ-UHFFFAOYSA-N 0 2 421.569 3.710 20 0 HHADLN CC[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1 ZINC000476721230 997267481 /nfs/dbraw/zinc/26/74/81/997267481.db2.gz UXGJJMPLJAJEPA-OAHLLOKOSA-N 0 2 415.540 3.868 20 0 HHADLN CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476728018 997277787 /nfs/dbraw/zinc/27/77/87/997277787.db2.gz PGKALTDQJJALRZ-UHFFFAOYSA-N 0 2 405.526 3.918 20 0 HHADLN C[C@@H](c1ccccc1F)N(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476732417 997283674 /nfs/dbraw/zinc/28/36/74/997283674.db2.gz YOLXTMIJIWWPQZ-ZDUSSCGKSA-N 0 2 419.503 3.916 20 0 HHADLN CSc1cccc(N(C)C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000476741354 997293096 /nfs/dbraw/zinc/29/30/96/997293096.db2.gz DSMAIADRGPZCLV-UHFFFAOYSA-N 0 2 419.553 3.942 20 0 HHADLN COc1c(C)ccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1C ZINC000476744895 997297857 /nfs/dbraw/zinc/29/78/57/997297857.db2.gz KFRMYYLATPXHIJ-UHFFFAOYSA-N 0 2 417.512 3.822 20 0 HHADLN O=S(=O)(Nc1ncc(Cc2ccccc2)s1)c1cncc(Br)c1 ZINC000476935047 997550555 /nfs/dbraw/zinc/55/05/55/997550555.db2.gz YCEXDXXKXGRNCS-UHFFFAOYSA-N 0 2 410.318 3.692 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cc(OC)ccc2Cl)nc1C(C)(C)C ZINC000476937113 997552414 /nfs/dbraw/zinc/55/24/14/997552414.db2.gz JDTPGLMQGNLPAH-UHFFFAOYSA-N 0 2 418.924 3.690 20 0 HHADLN CCc1c(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)cnn1C(CC)CC ZINC000485194202 997572026 /nfs/dbraw/zinc/57/20/26/997572026.db2.gz NIPYIKZKJWVIEK-UHFFFAOYSA-N 0 2 411.510 3.825 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1cc(F)ccc1OCC1CC1 ZINC000485283242 997679834 /nfs/dbraw/zinc/67/98/34/997679834.db2.gz FNHWSBFSNSYXBE-UHFFFAOYSA-N 0 2 411.437 3.633 20 0 HHADLN O=C1CCCN1c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000485311837 997721632 /nfs/dbraw/zinc/72/16/32/997721632.db2.gz HXYYEPWUUSXWFE-UHFFFAOYSA-N 0 2 402.369 3.772 20 0 HHADLN O=C(NC1CC1)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000485315399 997725375 /nfs/dbraw/zinc/72/53/75/997725375.db2.gz HZZYYDPEYNCJRE-UHFFFAOYSA-N 0 2 402.369 3.538 20 0 HHADLN O=C1CSc2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)cc2N1 ZINC000485341666 997760661 /nfs/dbraw/zinc/76/06/61/997760661.db2.gz BXUQRDITPSAFHK-UHFFFAOYSA-N 0 2 406.382 3.690 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc(Br)c(Cl)c2)cc(C2CC2)n1 ZINC000485443583 997885354 /nfs/dbraw/zinc/88/53/54/997885354.db2.gz KYCWMUISRWVATB-UHFFFAOYSA-N 0 2 402.701 3.879 20 0 HHADLN COc1c(F)cc(F)cc1NS(=O)(=O)c1ccc(NC(C)=O)c2ccccc21 ZINC000477305078 997992995 /nfs/dbraw/zinc/99/29/95/997992995.db2.gz YUDSMZJIYKHTMD-UHFFFAOYSA-N 0 2 406.410 3.886 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H](C)c2ccc(Br)cn2)=N1 ZINC000477782362 998532484 /nfs/dbraw/zinc/53/24/84/998532484.db2.gz JDWXHUVBXDTXNB-NSHDSACASA-N 0 2 419.254 3.674 20 0 HHADLN CC(C)c1c(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)cnn1-c1ccccc1 ZINC000486102183 998549511 /nfs/dbraw/zinc/54/95/11/998549511.db2.gz QAUMOCDAPYOIIG-UHFFFAOYSA-N 0 2 424.526 3.689 20 0 HHADLN COC(=O)c1c(Br)ccc(NS(=O)(=O)c2sccc2C)c1C ZINC000486111226 998558638 /nfs/dbraw/zinc/55/86/38/998558638.db2.gz PVTMZCKDLBZECC-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN CCOC(=O)c1cccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c1 ZINC000486111157 998559145 /nfs/dbraw/zinc/55/91/45/998559145.db2.gz UNDKBYSXYIJLGN-UHFFFAOYSA-N 0 2 413.499 3.973 20 0 HHADLN COc1cc(CN(C)C(=O)C2=NN(c3ccccc3)CC2=O)c(SC)cc1OC ZINC000486444902 998771731 /nfs/dbraw/zinc/77/17/31/998771731.db2.gz ADBVWKZQQFMLFL-UHFFFAOYSA-N 0 2 413.499 3.589 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1cccc(F)c1F ZINC000486530948 998810375 /nfs/dbraw/zinc/81/03/75/998810375.db2.gz AVUYFSJKXBRIIC-UHFFFAOYSA-N 0 2 405.213 3.653 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(Cc2ccccc2Cl)o1 ZINC000486557005 998824423 /nfs/dbraw/zinc/82/44/23/998824423.db2.gz BUPBNNHZUUEEGF-UHFFFAOYSA-N 0 2 414.270 3.777 20 0 HHADLN CC(C)c1scnc1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000486580353 998838949 /nfs/dbraw/zinc/83/89/49/998838949.db2.gz IGBUUNLJVBEWGN-UHFFFAOYSA-N 0 2 408.530 3.776 20 0 HHADLN COC(=O)CCc1csc(NS(=O)(=O)c2csc3ccc(Cl)cc23)n1 ZINC000486586929 998842296 /nfs/dbraw/zinc/84/22/96/998842296.db2.gz QSTOAYKHJATAJR-UHFFFAOYSA-N 0 2 416.933 3.918 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)c1 ZINC000486597328 998848539 /nfs/dbraw/zinc/84/85/39/998848539.db2.gz CVIKJOZNFWRPSX-UHFFFAOYSA-N 0 2 419.528 3.682 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2cc(OC)cc(OC)c2)s1)c1ccccc1 ZINC000486611970 998856546 /nfs/dbraw/zinc/85/65/46/998856546.db2.gz UDNFOSWHKDKUIW-KRWDZBQOSA-N 0 2 419.528 3.898 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1nnc(SCc2ccccc2)s1 ZINC000486724856 998909841 /nfs/dbraw/zinc/90/98/41/998909841.db2.gz RYZKOKCQDJOSBP-UHFFFAOYSA-N 0 2 407.542 3.778 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccccc1NCc1cccnc1 ZINC000478443269 998961444 /nfs/dbraw/zinc/96/14/44/998961444.db2.gz CKZMJKJWNPALLZ-UHFFFAOYSA-N 0 2 405.483 3.676 20 0 HHADLN O=C(c1ccccc1)C1CCN(C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)CC1 ZINC000478456550 998969762 /nfs/dbraw/zinc/96/97/62/998969762.db2.gz IQTHXNTVYKLIAO-UHFFFAOYSA-N 0 2 409.873 3.966 20 0 HHADLN CC(C)S(=O)(=O)Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000487372735 999150772 /nfs/dbraw/zinc/15/07/72/999150772.db2.gz OEGVVEJYSOOLKK-UHFFFAOYSA-N 0 2 405.900 3.603 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2cccc(CS(=O)(=O)C(C)(C)C)c2)s1 ZINC000487376207 999152120 /nfs/dbraw/zinc/15/21/20/999152120.db2.gz VIFACBGNXIWIGO-UHFFFAOYSA-N 0 2 401.575 3.825 20 0 HHADLN CO[C@@](C)(C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C)C1CC1 ZINC000487465734 999186755 /nfs/dbraw/zinc/18/67/55/999186755.db2.gz CQCVDPXVQOBXEK-HXUWFJFHSA-N 0 2 406.479 3.689 20 0 HHADLN COC[C@H](C)[C@@H](C)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C ZINC000487498790 999199312 /nfs/dbraw/zinc/19/93/12/999199312.db2.gz KMXBCLZLSDLGOI-LSDHHAIUSA-N 0 2 408.495 3.792 20 0 HHADLN Cc1cc(Br)ccc1CN(C)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000487633187 999236502 /nfs/dbraw/zinc/23/65/02/999236502.db2.gz KUEHEPVBNAFYOJ-UHFFFAOYSA-N 0 2 400.276 3.921 20 0 HHADLN O=S(=O)(Nc1nc(/C=C\c2ccccc2)cs1)c1cnn(CC(F)(F)F)c1 ZINC000479061560 999274720 /nfs/dbraw/zinc/27/47/20/999274720.db2.gz OJCBTLTZBSUATO-SREVYHEPSA-N 0 2 414.434 3.873 20 0 HHADLN Cc1cccc(F)c1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000479068976 999279040 /nfs/dbraw/zinc/27/90/40/999279040.db2.gz ZRBFGQBMFKJTSC-UHFFFAOYSA-N 0 2 418.412 3.790 20 0 HHADLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)sc2C1 ZINC000479069304 999279464 /nfs/dbraw/zinc/27/94/64/999279464.db2.gz NWSZSZJDUHLEJE-JTQLQIEISA-N 0 2 408.471 3.608 20 0 HHADLN CC1(C)Cc2cc(S(=O)(=O)Nc3nnc(/C=C/c4ccco4)s3)ccc2O1 ZINC000479163431 999304092 /nfs/dbraw/zinc/30/40/92/999304092.db2.gz FLOZCNYPAYMAPL-VMPITWQZSA-N 0 2 403.485 3.816 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cn(C)nc2C(C)C)cc1Br ZINC000479271538 999358244 /nfs/dbraw/zinc/35/82/44/999358244.db2.gz BGSJSTCILTXHDF-UHFFFAOYSA-N 0 2 402.314 3.506 20 0 HHADLN CCCOc1cc(F)ccc1NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000479469059 999430705 /nfs/dbraw/zinc/43/07/05/999430705.db2.gz OPRADVGQKFKPMN-UHFFFAOYSA-N 0 2 424.469 3.790 20 0 HHADLN Cc1nc(-c2cccc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)c2)oc1C ZINC000479495952 999443923 /nfs/dbraw/zinc/44/39/23/999443923.db2.gz IMCWQVRUOCVFJT-UHFFFAOYSA-N 0 2 400.382 3.518 20 0 HHADLN O=c1[nH]c2cc(Br)c(S(=O)(=O)Nc3ccc(F)cc3)c(Cl)c2o1 ZINC000479511910 999452966 /nfs/dbraw/zinc/45/29/66/999452966.db2.gz BFTPWTLRIKUNMU-UHFFFAOYSA-N 0 2 421.631 3.889 20 0 HHADLN Cc1cccc(F)c1S(=O)(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 ZINC000479519070 999456908 /nfs/dbraw/zinc/45/69/08/999456908.db2.gz RINRDBXRNKBIKU-UHFFFAOYSA-N 0 2 412.486 3.907 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OC(C)C)nc1 ZINC000479523027 999458970 /nfs/dbraw/zinc/45/89/70/999458970.db2.gz OYOQIJBRVBXTGE-UHFFFAOYSA-N 0 2 414.911 3.738 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(F)ccc1Nc1ccc(F)cc1F ZINC000479530212 999463397 /nfs/dbraw/zinc/46/33/97/999463397.db2.gz VTWZHTYRYKDHLS-UHFFFAOYSA-N 0 2 410.421 3.999 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000488391136 999471267 /nfs/dbraw/zinc/47/12/67/999471267.db2.gz WNWNNVOQWMASNW-AWEZNQCLSA-N 0 2 411.907 3.703 20 0 HHADLN O=C1CCCc2cc(S(=O)(=O)Nc3cnn(-c4ccc(Cl)cc4)c3)ccc2N1 ZINC000479558884 999477290 /nfs/dbraw/zinc/47/72/90/999477290.db2.gz PXCONINLJRJVQV-UHFFFAOYSA-N 0 2 416.890 3.601 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c(-c3cccs3)nc2c1)c1cnn(CC(F)F)c1 ZINC000488436977 999486858 /nfs/dbraw/zinc/48/68/58/999486858.db2.gz CPYIMONGXVGEPL-UHFFFAOYSA-N 0 2 409.443 3.554 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)sc1C ZINC000488579528 999534030 /nfs/dbraw/zinc/53/40/30/999534030.db2.gz JNAVIWAMRHCQDO-GFCCVEGCSA-N 0 2 402.925 3.629 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccc(OCc2ccccc2)nc1 ZINC000479771824 999583390 /nfs/dbraw/zinc/58/33/90/999583390.db2.gz UQXIXVLHENURJT-UHFFFAOYSA-N 0 2 407.380 3.976 20 0 HHADLN CCSc1ccc(C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)cc1 ZINC000479811987 999606895 /nfs/dbraw/zinc/60/68/95/999606895.db2.gz FLFVBRXMZASWOC-UHFFFAOYSA-N 0 2 420.541 3.703 20 0 HHADLN CC(C)n1ncc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)c1-c1ccccc1 ZINC000488902118 999641598 /nfs/dbraw/zinc/64/15/98/999641598.db2.gz UVKCZKDEJTWINP-UHFFFAOYSA-N 0 2 416.485 3.758 20 0 HHADLN O=c1ccc2cc(S(=O)(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)ccc2[nH]1 ZINC000479994511 999678927 /nfs/dbraw/zinc/67/89/27/999678927.db2.gz NNSWTBXTTLOIGH-UHFFFAOYSA-N 0 2 418.887 3.501 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)c2ccccc12 ZINC000480008202 999684172 /nfs/dbraw/zinc/68/41/72/999684172.db2.gz VZNNDRPNXRJLNT-UHFFFAOYSA-N 0 2 417.434 3.996 20 0 HHADLN C[C@@H](CN(C(=O)N=c1nc(-c2ccsc2)[nH]s1)[C@@H](C)CO)c1ccccc1 ZINC000480099031 999716664 /nfs/dbraw/zinc/71/66/64/999716664.db2.gz PMXLGYCLOCIZDG-KBPBESRZSA-N 0 2 402.545 3.707 20 0 HHADLN Cc1ccc(OCc2nc(NS(=O)(=O)c3cccc(Br)c3)no2)cc1 ZINC000480102391 999717611 /nfs/dbraw/zinc/71/76/11/999717611.db2.gz CTMWJPPYQVCLQP-UHFFFAOYSA-N 0 2 424.276 3.520 20 0 HHADLN CCOC(=O)c1c(CC)c(C)sc1NS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000480123076 999723030 /nfs/dbraw/zinc/72/30/30/999723030.db2.gz KTAGZMVIYLZEKB-UHFFFAOYSA-N 0 2 413.517 3.614 20 0 HHADLN Cc1ccc(OCc2nc(NS(=O)(=O)c3c(C)ccc4cccnc43)no2)cc1 ZINC000480175553 999736819 /nfs/dbraw/zinc/73/68/19/999736819.db2.gz CVMLEBTUDAESNH-UHFFFAOYSA-N 0 2 410.455 3.614 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)c(F)c1 ZINC000480196225 999741971 /nfs/dbraw/zinc/74/19/71/999741971.db2.gz KEQZCDBGYIOOHR-UHFFFAOYSA-N 0 2 406.479 3.698 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2cc(F)cc(C(=O)OCC)c2)c1C(C)C ZINC000480207830 999745687 /nfs/dbraw/zinc/74/56/87/999745687.db2.gz GQJHDORRPHNXDO-UHFFFAOYSA-N 0 2 411.499 3.923 20 0 HHADLN O=C1Cc2cc(S(=O)(=O)Nc3cc(F)ccc3OCC3CC3)c(Cl)cc2N1 ZINC000480212080 999746850 /nfs/dbraw/zinc/74/68/50/999746850.db2.gz ZLIMUHKUJBDFTQ-UHFFFAOYSA-N 0 2 410.854 3.563 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c(F)c1 ZINC000480212253 999746880 /nfs/dbraw/zinc/74/68/80/999746880.db2.gz XLWOBDMRXDJFLY-UHFFFAOYSA-N 0 2 416.478 3.620 20 0 HHADLN COc1ccc2c(c1NS(=O)(=O)c1cc(F)ccc1Br)CCC2 ZINC000480219972 999748542 /nfs/dbraw/zinc/74/85/42/999748542.db2.gz CKEFSPWXUCQTHS-UHFFFAOYSA-N 0 2 400.269 3.886 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(C3(C(=O)OC)CC3)cc2)cnn1C(CC)CC ZINC000480223754 999749484 /nfs/dbraw/zinc/74/94/84/999749484.db2.gz IZJHZWFGYVNLKL-UHFFFAOYSA-N 0 2 419.547 3.812 20 0 HHADLN CCSc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)cc1 ZINC000490037325 999882441 /nfs/dbraw/zinc/88/24/41/999882441.db2.gz HDSOERXFDFKOJJ-UHFFFAOYSA-N 0 2 420.541 3.703 20 0 HHADLN Cc1ccc([C@@H]2C[C@H](C)[N@H+](CC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000490046383 999884479 /nfs/dbraw/zinc/88/44/79/999884479.db2.gz VPAGYRFYXXQAJX-NZQKXSOJSA-N 0 2 407.558 3.644 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000490088558 999891167 /nfs/dbraw/zinc/89/11/67/999891167.db2.gz PEGSCZJXBZBMJA-RRFJBIMHSA-N 0 2 420.560 3.884 20 0 HHADLN C[C@H](NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)[C@@H](C)C1CCCCC1 ZINC000490888060 1000019910 /nfs/dbraw/zinc/01/99/10/1000019910.db2.gz YAGFIAVXMZENJT-KGLIPLIRSA-N 0 2 424.592 3.617 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c(-c3ccccc3)nc2c1)c1cnn(CC(F)(F)F)c1 ZINC000491593218 1000087115 /nfs/dbraw/zinc/08/71/15/1000087115.db2.gz CVNYKACZRWSLIH-UHFFFAOYSA-N 0 2 421.404 3.790 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2cnn(CCC(C)C)c2CC)c1 ZINC000491809690 1000095411 /nfs/dbraw/zinc/09/54/11/1000095411.db2.gz IUHKLCBKDUXXQO-UHFFFAOYSA-N 0 2 411.499 3.608 20 0 HHADLN CN(C)c1nnc(-c2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)o1 ZINC000504508837 1000241236 /nfs/dbraw/zinc/24/12/36/1000241236.db2.gz YVNVIORLJLGDDV-UHFFFAOYSA-N 0 2 413.286 3.910 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1F ZINC000494535548 1000542912 /nfs/dbraw/zinc/54/29/12/1000542912.db2.gz DKVOBSGADPXDSG-UHFFFAOYSA-N 0 2 415.483 3.790 20 0 HHADLN CCOCCO[C@H](C)C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000505209973 1000621150 /nfs/dbraw/zinc/62/11/50/1000621150.db2.gz LRPZWTNRTWCEPV-OAHLLOKOSA-N 0 2 413.499 3.799 20 0 HHADLN CC(=O)c1ccc(S(=O)(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)cc1 ZINC000505300328 1000683101 /nfs/dbraw/zinc/68/31/01/1000683101.db2.gz SBNWFOKRQIBIHM-UHFFFAOYSA-N 0 2 409.389 3.895 20 0 HHADLN CCCCc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)cc1 ZINC000495269763 1000946329 /nfs/dbraw/zinc/94/63/29/1000946329.db2.gz NENDPSUAZOJOFT-UHFFFAOYSA-N 0 2 418.544 3.877 20 0 HHADLN Cn1ccc2c(NC(=O)c3[nH]nc(-c4ccccc4)c3Br)cccc2c1=O ZINC000505732818 1000997765 /nfs/dbraw/zinc/99/77/65/1000997765.db2.gz ZHYSOMRZQTUVDP-UHFFFAOYSA-N 0 2 423.270 3.943 20 0 HHADLN COc1cccc([C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000506217528 1001284866 /nfs/dbraw/zinc/28/48/66/1001284866.db2.gz DWSPFYYFEAJOPC-ZDUSSCGKSA-N 0 2 417.512 3.695 20 0 HHADLN COc1cccc([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000506217527 1001285168 /nfs/dbraw/zinc/28/51/68/1001285168.db2.gz DWSPFYYFEAJOPC-CYBMUJFWSA-N 0 2 417.512 3.695 20 0 HHADLN O=C(NCCc1csc(-c2ccccc2)n1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000497357855 1001307392 /nfs/dbraw/zinc/30/73/92/1001307392.db2.gz WGANIRNUBLDRHR-UHFFFAOYSA-N 0 2 408.458 3.813 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN4CCOC[C@@H]4CC(C)C)nc(=O)c3s2)cc1 ZINC000506254655 1001309779 /nfs/dbraw/zinc/30/97/79/1001309779.db2.gz NXKVMALHMGOURQ-INIZCTEOSA-N 0 2 413.543 3.907 20 0 HHADLN O=C(Cc1ccc(Cl)cn1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000497562664 1001436567 /nfs/dbraw/zinc/43/65/67/1001436567.db2.gz DFNOHLQOSGPODX-UHFFFAOYSA-N 0 2 410.634 3.603 20 0 HHADLN CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)c1OC ZINC000506549224 1001457386 /nfs/dbraw/zinc/45/73/86/1001457386.db2.gz YLMXHFOUTDECPJ-UHFFFAOYSA-N 0 2 423.705 3.816 20 0 HHADLN CC(C)N(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2csc3ccccc32)cc1 ZINC000506571287 1001461582 /nfs/dbraw/zinc/46/15/82/1001461582.db2.gz RCMIYVOWBKQCJG-UHFFFAOYSA-N 0 2 424.569 3.731 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)ccc1C ZINC000506579737 1001463566 /nfs/dbraw/zinc/46/35/66/1001463566.db2.gz QMSUNYMGILICDA-UHFFFAOYSA-N 0 2 413.499 3.775 20 0 HHADLN CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1OC ZINC000506595534 1001466927 /nfs/dbraw/zinc/46/69/27/1001466927.db2.gz QAOIAMIDGWQJLH-UHFFFAOYSA-N 0 2 422.812 3.528 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc2c(c1)CCCO2 ZINC000506646988 1001481900 /nfs/dbraw/zinc/48/19/00/1001481900.db2.gz DZKMICPJAYETDY-UHFFFAOYSA-N 0 2 416.282 3.906 20 0 HHADLN CC[C@@H](CC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccccc1 ZINC000497780860 1001512380 /nfs/dbraw/zinc/51/23/80/1001512380.db2.gz BUEMLTSVVYRDDY-AWEZNQCLSA-N 0 2 416.528 3.861 20 0 HHADLN COc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)cn1 ZINC000497780672 1001512421 /nfs/dbraw/zinc/51/24/21/1001512421.db2.gz ACKWYQLDUPJMCE-UHFFFAOYSA-N 0 2 403.485 3.513 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1cccc2ccccc21 ZINC000497788354 1001514207 /nfs/dbraw/zinc/51/42/07/1001514207.db2.gz PQUQXBKEUJXSNX-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN O=C(CC/C=C\c1ccccc1)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000497792211 1001515439 /nfs/dbraw/zinc/51/54/39/1001515439.db2.gz FEPRJWHCBONKPZ-YWEYNIOJSA-N 0 2 414.512 3.771 20 0 HHADLN CCn1cnnc1-c1ccccc1NS(=O)(=O)c1cc(C)ccc1Br ZINC000497848058 1001535521 /nfs/dbraw/zinc/53/55/21/1001535521.db2.gz KXOQAPFYXOTVIF-UHFFFAOYSA-N 0 2 421.320 3.837 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)c1 ZINC000497862162 1001540743 /nfs/dbraw/zinc/54/07/43/1001540743.db2.gz HGZHBNQDRFDATI-UHFFFAOYSA-N 0 2 416.244 3.515 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)c1 ZINC000497863558 1001541343 /nfs/dbraw/zinc/54/13/43/1001541343.db2.gz UXCJDWSMXHWDNI-BETUJISGSA-N 0 2 415.968 3.515 20 0 HHADLN Cc1n[nH]c(C)c1CC(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000498002020 1001598865 /nfs/dbraw/zinc/59/88/65/1001598865.db2.gz NDBSOVXJLXVYNH-UHFFFAOYSA-N 0 2 405.483 3.940 20 0 HHADLN Cn1cccc1C(=O)C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000498003916 1001599815 /nfs/dbraw/zinc/59/98/15/1001599815.db2.gz YBXMVMBTOHLMRH-UHFFFAOYSA-N 0 2 404.451 3.579 20 0 HHADLN COCCCOc1ccccc1NS(=O)(=O)c1cc(C)ccc1Br ZINC000498008368 1001601750 /nfs/dbraw/zinc/60/17/50/1001601750.db2.gz HPCLKXOCMJQZSM-UHFFFAOYSA-N 0 2 414.321 3.974 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2ccccc2NC(=O)N(C)C)c1 ZINC000498012710 1001604406 /nfs/dbraw/zinc/60/44/06/1001604406.db2.gz PUJJMXDOLPDLLZ-UHFFFAOYSA-N 0 2 412.309 3.652 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)[C@H](C)Oc3ccc(F)cc3Cl)s[nH]2)c1 ZINC000498097465 1001639964 /nfs/dbraw/zinc/63/99/64/1001639964.db2.gz GXHUBDYXFXDLFG-JTQLQIEISA-N 0 2 407.854 3.834 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCC3(c4ccccc4)CCOCC3)s[nH]2)c1 ZINC000498223822 1001706784 /nfs/dbraw/zinc/70/67/84/1001706784.db2.gz RLYCOIWMPCMRJH-UHFFFAOYSA-N 0 2 424.526 3.506 20 0 HHADLN COc1ccc(F)cc1NS(=O)(=O)c1cc(Br)c(C)cc1OC ZINC000507008072 1001761116 /nfs/dbraw/zinc/76/11/16/1001761116.db2.gz RINQJZBUXAHCBT-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN O=S(=O)(Nc1cc(F)c(Br)c(Cl)c1)c1cccc2c1OCO2 ZINC000507595510 1002201813 /nfs/dbraw/zinc/20/18/13/1002201813.db2.gz JNSYVEFHODHJMQ-UHFFFAOYSA-N 0 2 408.632 3.771 20 0 HHADLN Cc1noc2ncc(S(=O)(=O)Nc3cccc4cc(Br)cnc43)cc12 ZINC000507596785 1002204040 /nfs/dbraw/zinc/20/40/40/1002204040.db2.gz PMCFWFGKMZTOCR-UHFFFAOYSA-N 0 2 419.260 3.643 20 0 HHADLN O=S(=O)(Nc1cccc(COc2ccc(F)cc2)c1)c1cnn(CC(F)F)c1 ZINC000507621029 1002225268 /nfs/dbraw/zinc/22/52/68/1002225268.db2.gz MLFIFSBXGVQIAE-UHFFFAOYSA-N 0 2 411.405 3.667 20 0 HHADLN O=C(N[C@H](c1nccs1)C(F)(F)F)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000507623026 1002227473 /nfs/dbraw/zinc/22/74/73/1002227473.db2.gz GGXDLEAVRSDSQU-GFCCVEGCSA-N 0 2 402.785 3.721 20 0 HHADLN O=S(=O)([N-]c1ccc(Cn2cc[nH+]c2)cn1)c1ccc(OCc2ccccc2)cc1 ZINC000508066482 1002587728 /nfs/dbraw/zinc/58/77/28/1002587728.db2.gz BXVQMZOOVFSKFN-UHFFFAOYSA-N 0 2 420.494 3.706 20 0 HHADLN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2ccc3c(Cl)cccc3n2)c1 ZINC000508071080 1002592910 /nfs/dbraw/zinc/59/29/10/1002592910.db2.gz WYXNVVLXPVJIMY-UHFFFAOYSA-N 0 2 424.931 3.709 20 0 HHADLN CCn1c(SCC(=O)Nc2ccc3nn[nH]c3c2)nnc1-c1ccc(Cl)cc1 ZINC000508076106 1002598163 /nfs/dbraw/zinc/59/81/63/1002598163.db2.gz BHMOPWPATRRVMH-UHFFFAOYSA-N 0 2 413.894 3.621 20 0 HHADLN COC(=O)c1c(C)csc1NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000508089617 1002612313 /nfs/dbraw/zinc/61/23/13/1002612313.db2.gz QHGFGINBEZZDPL-UHFFFAOYSA-N 0 2 408.270 3.546 20 0 HHADLN Cc1ccc(Cl)c2sc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)nc21 ZINC000508089981 1002613027 /nfs/dbraw/zinc/61/30/27/1002613027.db2.gz SNCNWSBAIYEVLT-UHFFFAOYSA-N 0 2 410.830 3.818 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)o2)cc1F ZINC000508094327 1002618608 /nfs/dbraw/zinc/61/86/08/1002618608.db2.gz HAVAXTYVZAMOQG-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN COc1cc(Cl)c(S(=O)(=O)Nc2ncc(-c3cccnc3)s2)cc1OC ZINC000508098020 1002622868 /nfs/dbraw/zinc/62/28/68/1002622868.db2.gz VKXHQTPMLZMPHV-UHFFFAOYSA-N 0 2 411.892 3.677 20 0 HHADLN CN1c2ccc(S(=O)(=O)Nc3ncc(-c4cccnc4)s3)c3cccc(c23)C1=O ZINC000508101570 1002626306 /nfs/dbraw/zinc/62/63/06/1002626306.db2.gz JQSCFSYAQVOINQ-UHFFFAOYSA-N 0 2 422.491 3.749 20 0 HHADLN Cc1cc(F)ccc1S(=O)(=O)Nc1nnc(-c2cccc(Br)c2)o1 ZINC000508103412 1002628419 /nfs/dbraw/zinc/62/84/19/1002628419.db2.gz OPLNBGZDVVRKMC-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1ccc(Br)cc1 ZINC000508108572 1002634486 /nfs/dbraw/zinc/63/44/86/1002634486.db2.gz DXUDGZWTVFSQQN-UHFFFAOYSA-N 0 2 403.323 3.600 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)F)c2)o1)c1cccc2cccnc21 ZINC000508111214 1002638703 /nfs/dbraw/zinc/63/87/03/1002638703.db2.gz UBLSNUBDMKORKI-UHFFFAOYSA-N 0 2 418.381 3.687 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ncc(-c3ccccn3)s2)cc1Cl ZINC000508126123 1002656092 /nfs/dbraw/zinc/65/60/92/1002656092.db2.gz CIXUMXNKPHANPR-UHFFFAOYSA-N 0 2 408.892 3.618 20 0 HHADLN COc1c(Cl)cc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)cc1Cl ZINC000499267428 1002671297 /nfs/dbraw/zinc/67/12/97/1002671297.db2.gz QCLIEKXJBSZNGE-UHFFFAOYSA-N 0 2 421.693 3.807 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3C)cnc2c1Cl ZINC000499294918 1002705246 /nfs/dbraw/zinc/70/52/46/1002705246.db2.gz FBHMLHODEDVGHU-UHFFFAOYSA-N 0 2 404.801 3.819 20 0 HHADLN Cc1coc(-c2cc(NS(=O)(=O)c3cnc4c(Cl)c(C)nn4c3)ccc2C)n1 ZINC000499296918 1002706694 /nfs/dbraw/zinc/70/66/94/1002706694.db2.gz UQWVDUZDSUCUJP-UHFFFAOYSA-N 0 2 417.878 3.764 20 0 HHADLN CO[C@H]1CCC[C@@H](Oc2ccnc(NS(=O)(=O)c3csc4ccccc43)n2)C1 ZINC000508224980 1002753361 /nfs/dbraw/zinc/75/33/61/1002753361.db2.gz RRNSNRHOKWJCSC-UONOGXRCSA-N 0 2 419.528 3.829 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc3cc(F)c(C)cc3s2)c1 ZINC000508224564 1002753633 /nfs/dbraw/zinc/75/36/33/1002753633.db2.gz PREZAACKFSRBPV-UHFFFAOYSA-N 0 2 424.475 3.730 20 0 HHADLN C[C@H]1Cc2ccc(Br)cc2CN1C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000499592455 1002967680 /nfs/dbraw/zinc/96/76/80/1002967680.db2.gz FFELRVMYHRNHFH-JTQLQIEISA-N 0 2 409.353 3.999 20 0 HHADLN C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000499713797 1003062660 /nfs/dbraw/zinc/06/26/60/1003062660.db2.gz LADFJDLCORDBEF-CYBMUJFWSA-N 0 2 408.433 3.557 20 0 HHADLN CCOc1ccc([C@H]2CCCN2C(=O)C2=NN(c3ccc(OC)cc3)CC2=O)cc1 ZINC000499725205 1003073226 /nfs/dbraw/zinc/07/32/26/1003073226.db2.gz VAVJQNKVJSQBQM-HXUWFJFHSA-N 0 2 407.470 3.963 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000499726061 1003073857 /nfs/dbraw/zinc/07/38/57/1003073857.db2.gz MHJPQHUTKLILSC-SFHVURJKSA-N 0 2 401.825 3.584 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H]2CCCC(F)(F)C2)c(F)c1Cl ZINC000499737411 1003082514 /nfs/dbraw/zinc/08/25/14/1003082514.db2.gz ZWTJWABBHBZKCQ-SECBINFHSA-N 0 2 416.824 3.680 20 0 HHADLN CCc1nc2c(s1)[C@@H](N(C)C(=O)C1=NN(c3ccc(OC)cc3)CC1=O)CCC2 ZINC000499877865 1003213056 /nfs/dbraw/zinc/21/30/56/1003213056.db2.gz XASUQLQJTOPVKD-INIZCTEOSA-N 0 2 412.515 3.755 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2c(Cl)cccc2Br)ccc1C ZINC000509086818 1003542763 /nfs/dbraw/zinc/54/27/63/1003542763.db2.gz ZVUVJZODUGEBRI-UHFFFAOYSA-N 0 2 418.696 3.998 20 0 HHADLN O=S(=O)(Nc1cnn(Cc2ccccc2)c1)c1cc(Br)ccc1F ZINC000500287733 1003601036 /nfs/dbraw/zinc/60/10/36/1003601036.db2.gz KOPRDXGKWSQEOT-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN Cc1cc(C)n(-c2ccccc2CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000509181115 1003608959 /nfs/dbraw/zinc/60/89/59/1003608959.db2.gz CFBLMDWRMXOWIU-UHFFFAOYSA-N 0 2 413.396 3.524 20 0 HHADLN O=S(=O)(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cnc2ccccc2c1 ZINC000509211145 1003626683 /nfs/dbraw/zinc/62/66/83/1003626683.db2.gz LXYUJUCHQIKDDT-UHFFFAOYSA-N 0 2 401.451 3.974 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(F)c2)s1)c1cnc2ccccc2c1 ZINC000509214310 1003628739 /nfs/dbraw/zinc/62/87/39/1003628739.db2.gz YRPDOCDHDJLQBN-UHFFFAOYSA-N 0 2 400.460 3.617 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cccc3c2OCO3)sc1Cc1ccc(F)cc1 ZINC000509223172 1003635798 /nfs/dbraw/zinc/63/57/98/1003635798.db2.gz JWIQVOLVMMSGCQ-UHFFFAOYSA-N 0 2 406.460 3.711 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCSCC3)c2C)s1 ZINC000500357493 1003655733 /nfs/dbraw/zinc/65/57/33/1003655733.db2.gz CGAJMGIQZROIQP-UHFFFAOYSA-N 0 2 410.586 3.609 20 0 HHADLN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3cnc(C)nc3C3CC3)ccc2s1 ZINC000500563082 1003784523 /nfs/dbraw/zinc/78/45/23/1003784523.db2.gz WNDGMEBTLMIMGD-UHFFFAOYSA-N 0 2 417.512 3.855 20 0 HHADLN CO[C@@H]1CCC[C@@H](Oc2ccnc(NS(=O)(=O)c3cc(C)c(Cl)s3)n2)C1 ZINC000500567712 1003787603 /nfs/dbraw/zinc/78/76/03/1003787603.db2.gz MVKWUVZAXUIPQE-VXGBXAGGSA-N 0 2 417.940 3.637 20 0 HHADLN CO[C@H]1CCC[C@@H](Oc2ccnc(NS(=O)(=O)c3cccc4ccccc43)n2)C1 ZINC000500568573 1003788529 /nfs/dbraw/zinc/78/85/29/1003788529.db2.gz OVHKGPAJUHMMRD-DLBZAZTESA-N 0 2 413.499 3.767 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cnc(C)nc3C3CC3)cc2c1C ZINC000500571697 1003791128 /nfs/dbraw/zinc/79/11/28/1003791128.db2.gz OPWQPUINHONBOM-UHFFFAOYSA-N 0 2 415.471 3.695 20 0 HHADLN O=S(=O)(Nc1ccc(Br)c2cccnc12)c1c[nH]c2ncccc12 ZINC000509379677 1003809461 /nfs/dbraw/zinc/80/94/61/1003809461.db2.gz RTJNPIAOCHALRU-UHFFFAOYSA-N 0 2 403.261 3.674 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)c(F)c1N1CCOCC1)c1ccc(Cl)cc1F ZINC000509384502 1003814026 /nfs/dbraw/zinc/81/40/26/1003814026.db2.gz FOPUKZJHTXZZSS-UHFFFAOYSA-N 0 2 423.268 3.909 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)cc1F ZINC000509386584 1003815983 /nfs/dbraw/zinc/81/59/83/1003815983.db2.gz LRAMGTQNRJSPML-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN Cc1cc(Cl)c(C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)cc1C ZINC000511915135 1003889081 /nfs/dbraw/zinc/88/90/81/1003889081.db2.gz DWRVUOYXZPKMMV-UHFFFAOYSA-N 0 2 422.919 3.861 20 0 HHADLN O=C(NCc1ccccc1F)c1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1 ZINC000509537945 1003931901 /nfs/dbraw/zinc/93/19/01/1003931901.db2.gz LFFNSZJPWAXMET-UHFFFAOYSA-N 0 2 420.412 3.835 20 0 HHADLN O=C(COc1cccc(NS(=O)(=O)c2cccc(F)c2F)c1)Nc1ccccc1 ZINC000509568123 1003950841 /nfs/dbraw/zinc/95/08/41/1003950841.db2.gz KXRBIWHQBKTVPA-UHFFFAOYSA-N 0 2 418.421 3.783 20 0 HHADLN Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NS(=O)(=O)c1cccc(F)c1F ZINC000509570592 1003952002 /nfs/dbraw/zinc/95/20/02/1003952002.db2.gz PACSZUVVGDFVEV-CYBMUJFWSA-N 0 2 408.470 3.946 20 0 HHADLN O=S(=O)(Nc1ccc(Oc2ccncc2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000509575999 1003955638 /nfs/dbraw/zinc/95/56/38/1003955638.db2.gz ZHWXUMXNLIGBQR-UHFFFAOYSA-N 0 2 406.467 3.920 20 0 HHADLN COCCOc1c(Cl)cccc1NS(=O)(=O)c1ccccc1OC(F)F ZINC000509591221 1003965756 /nfs/dbraw/zinc/96/57/56/1003965756.db2.gz OZOPASLTPMVKBL-UHFFFAOYSA-N 0 2 407.822 3.767 20 0 HHADLN CCc1nocc1CN(C)C(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 ZINC000512030128 1003967268 /nfs/dbraw/zinc/96/72/68/1003967268.db2.gz YQNTVGUTVHEAJP-UHFFFAOYSA-N 0 2 419.528 3.680 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cccc3c2OCCO3)c(C(F)(F)F)c1 ZINC000509611567 1003979188 /nfs/dbraw/zinc/97/91/88/1003979188.db2.gz RIBPNJHFTMFMRG-UHFFFAOYSA-N 0 2 403.378 3.676 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3nc4c(ccc(F)c4F)s3)cc2C[C@H]1C ZINC000500865779 1004012698 /nfs/dbraw/zinc/01/26/98/1004012698.db2.gz JKRGQLJLVLXHGL-SECBINFHSA-N 0 2 423.466 3.673 20 0 HHADLN CC(C)CC(=O)Nc1ccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1 ZINC000509662198 1004012781 /nfs/dbraw/zinc/01/27/81/1004012781.db2.gz AENHFWODVPOJKO-UHFFFAOYSA-N 0 2 412.515 3.717 20 0 HHADLN C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000512175837 1004078196 /nfs/dbraw/zinc/07/81/96/1004078196.db2.gz RJUSYCJKECRFAU-ZHRRBRCNSA-N 0 2 412.493 3.893 20 0 HHADLN COc1ccc(C[C@@H](C)C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1OC ZINC000512530033 1004364020 /nfs/dbraw/zinc/36/40/20/1004364020.db2.gz XXRJCKCVTHBTJR-LLVKDONJSA-N 0 2 402.401 3.584 20 0 HHADLN COc1cc(C)c(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1OC ZINC000512611889 1004425883 /nfs/dbraw/zinc/42/58/83/1004425883.db2.gz BWSAKOKMDZZRMS-UHFFFAOYSA-N 0 2 419.528 3.882 20 0 HHADLN CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@@H](c4n[nH]c(=O)[nH]4)C3)c12 ZINC000510282110 1004448429 /nfs/dbraw/zinc/44/84/29/1004448429.db2.gz NJUWUNCUJQYPFB-CYBMUJFWSA-N 0 2 424.505 3.532 20 0 HHADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000512732215 1004524336 /nfs/dbraw/zinc/52/43/36/1004524336.db2.gz CTNJWRNYJXSBMO-UHFFFAOYSA-N 0 2 406.847 3.946 20 0 HHADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)cc1OC(F)F ZINC000512757006 1004539806 /nfs/dbraw/zinc/53/98/06/1004539806.db2.gz BTUQJCLICFJYAS-UHFFFAOYSA-N 0 2 409.769 3.668 20 0 HHADLN Cn1c2cccc(NS(=O)(=O)c3ccc4nc(C(C)(C)C)sc4c3)c2oc1=O ZINC000512781715 1004556817 /nfs/dbraw/zinc/55/68/17/1004556817.db2.gz WGHUVAXWCCBACB-UHFFFAOYSA-N 0 2 417.512 3.840 20 0 HHADLN O=S(=O)(Nc1cc(F)c(I)c(F)c1)c1ccccc1F ZINC000501820879 1004758223 /nfs/dbraw/zinc/75/82/23/1004758223.db2.gz KWJZVBBBGGMPDW-UHFFFAOYSA-N 0 2 413.158 3.509 20 0 HHADLN Cc1c(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cnn1CC(C)C ZINC000501843669 1004771312 /nfs/dbraw/zinc/77/13/12/1004771312.db2.gz MQLAXVJTIJLTGO-UHFFFAOYSA-N 0 2 421.274 3.787 20 0 HHADLN COc1ccc(-c2nnc(SCc3n[nH]c(=O)[nH]3)n2-c2ccc(Cl)cc2)cc1 ZINC000513253059 1004880678 /nfs/dbraw/zinc/88/06/78/1004880678.db2.gz SQCHYWLDPSYNQL-UHFFFAOYSA-N 0 2 414.878 3.712 20 0 HHADLN CCO[C@@H](C)C(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000513295040 1004900536 /nfs/dbraw/zinc/90/05/36/1004900536.db2.gz WBSYUGHOMPFWRU-NSHDSACASA-N 0 2 400.859 3.643 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)c1F ZINC000513464042 1004977771 /nfs/dbraw/zinc/97/77/71/1004977771.db2.gz UAWJWJQYQAYKKZ-UHFFFAOYSA-N 0 2 403.435 3.850 20 0 HHADLN Cn1cc(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c(-c2cccs2)n1 ZINC000511088688 1005013236 /nfs/dbraw/zinc/01/32/36/1005013236.db2.gz HFKLKUDDPGBLPZ-UHFFFAOYSA-N 0 2 401.904 3.995 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1nnc(C(C)(C)C)s1 ZINC000502410217 1005063844 /nfs/dbraw/zinc/06/38/44/1005063844.db2.gz MTUPINKUQNULRD-UHFFFAOYSA-N 0 2 424.317 3.547 20 0 HHADLN CCCc1cnc(NS(=O)(=O)c2cc(F)c(Br)cc2OC)s1 ZINC000502480081 1005088276 /nfs/dbraw/zinc/08/82/76/1005088276.db2.gz WDLMNULBZTVBSH-UHFFFAOYSA-N 0 2 409.302 3.807 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)c1 ZINC000502492210 1005090995 /nfs/dbraw/zinc/09/09/95/1005090995.db2.gz FBMMOAFFQJCIEO-UHFFFAOYSA-N 0 2 416.496 3.566 20 0 HHADLN CS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(F)c1 ZINC000511299840 1005114553 /nfs/dbraw/zinc/11/45/53/1005114553.db2.gz IQWOCOMIVUGOEM-UHFFFAOYSA-N 0 2 420.487 3.665 20 0 HHADLN Cn1cnnc1-c1cncc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)c1 ZINC000513784788 1005125046 /nfs/dbraw/zinc/12/50/46/1005125046.db2.gz ZCTBJXONKQQBOZ-UHFFFAOYSA-N 0 2 405.892 3.546 20 0 HHADLN CCOc1cccc(NS(=O)(=O)c2cc(F)c(Br)cc2OC)c1 ZINC000502780266 1005214980 /nfs/dbraw/zinc/21/49/80/1005214980.db2.gz CMAJLDPTPYRSLC-UHFFFAOYSA-N 0 2 404.257 3.796 20 0 HHADLN Cc1cc(F)ccc1-n1cc(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)nn1 ZINC000503334641 1005392678 /nfs/dbraw/zinc/39/26/78/1005392678.db2.gz YYKPJNQDIUYPOA-UHFFFAOYSA-N 0 2 414.853 3.561 20 0 HHADLN CC(C)Cn1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000503964302 1005521151 /nfs/dbraw/zinc/52/11/51/1005521151.db2.gz PUTDMIAKUYSMSO-UHFFFAOYSA-N 0 2 413.499 3.778 20 0 HHADLN Cc1nncn1-c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000504235128 1005579244 /nfs/dbraw/zinc/57/92/44/1005579244.db2.gz HWLQEEFPVUPZLQ-UHFFFAOYSA-N 0 2 400.357 3.534 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N2[C@H](C)CCC[C@H]2C)c1 ZINC000504377477 1005611899 /nfs/dbraw/zinc/61/18/99/1005611899.db2.gz XTSDHTXHHMKOFJ-HUUCEWRRSA-N 0 2 418.515 3.605 20 0 HHADLN O=S(=O)(Nc1c[nH]nc1-c1ccccn1)c1ccc(Br)c(Cl)c1 ZINC000534064846 1006035769 /nfs/dbraw/zinc/03/57/69/1006035769.db2.gz GDZLRSCGMVPPGC-UHFFFAOYSA-N 0 2 413.684 3.688 20 0 HHADLN CCCN(CC(=O)Nc1ccccc1C)C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000531191262 1006036596 /nfs/dbraw/zinc/03/65/96/1006036596.db2.gz BXPFORZAESEGJZ-UHFFFAOYSA-N 0 2 424.476 3.825 20 0 HHADLN CSc1cc2c(cc1NS(=O)(=O)c1cccc3ccc(C)nc31)OCCO2 ZINC000531246921 1006068247 /nfs/dbraw/zinc/06/82/47/1006068247.db2.gz AQTMYNYTMVZIET-UHFFFAOYSA-N 0 2 402.497 3.837 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)OC(C)(C)C)c(C)c2)c1 ZINC000534169723 1006153629 /nfs/dbraw/zinc/15/36/29/1006153629.db2.gz YQWGIVYNYHAYQF-UHFFFAOYSA-N 0 2 407.488 3.768 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3ccccc3OC(F)F)s2)cc1 ZINC000534205607 1006198756 /nfs/dbraw/zinc/19/87/56/1006198756.db2.gz MJNJIXOELYTDHC-UHFFFAOYSA-N 0 2 413.427 3.616 20 0 HHADLN CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(Cl)cc(Br)c1O ZINC000531466604 1006215044 /nfs/dbraw/zinc/21/50/44/1006215044.db2.gz CWZIYOCEFBQOLL-UHFFFAOYSA-N 0 2 412.667 3.852 20 0 HHADLN CCOC(=O)C(C)(C)c1csc(NS(=O)(=O)c2cc(F)cc(Cl)c2)n1 ZINC000514965505 1006222304 /nfs/dbraw/zinc/22/23/04/1006222304.db2.gz JTRSFZZDDYCDQJ-UHFFFAOYSA-N 0 2 406.888 3.577 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc3ccncc32)c(Br)c1 ZINC000531527191 1006254734 /nfs/dbraw/zinc/25/47/34/1006254734.db2.gz LKKQLURKAMSUCN-UHFFFAOYSA-N 0 2 421.272 3.585 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccc2F)c1)c1cccc(OC(F)(F)F)c1 ZINC000531528038 1006256830 /nfs/dbraw/zinc/25/68/30/1006256830.db2.gz TUJQPMOYLGVNAR-UHFFFAOYSA-N 0 2 401.341 3.711 20 0 HHADLN COC(=O)c1cncc(S(=O)(=O)Nc2cccc(Cl)c2SCC(F)F)c1 ZINC000515030932 1006260909 /nfs/dbraw/zinc/26/09/09/1006260909.db2.gz PAYTYBQTBOXPHF-UHFFFAOYSA-N 0 2 422.862 3.680 20 0 HHADLN CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)cc1 ZINC000534288524 1006283004 /nfs/dbraw/zinc/28/30/04/1006283004.db2.gz WMNUFSVYDQXEMS-UHFFFAOYSA-N 0 2 416.528 3.889 20 0 HHADLN O=C(CCCc1ccc(Br)s1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000534432973 1006407822 /nfs/dbraw/zinc/40/78/22/1006407822.db2.gz LJEVVJZUAQUHAK-UHFFFAOYSA-N 0 2 409.334 3.807 20 0 HHADLN O=C(NCc1ccccc1F)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000515630660 1006569035 /nfs/dbraw/zinc/56/90/35/1006569035.db2.gz CLAKMFUFUCBUPZ-UHFFFAOYSA-N 0 2 420.412 3.835 20 0 HHADLN CCc1onc(C)c1NS(=O)(=O)c1cc(Br)ccc1Br ZINC000534614494 1006595440 /nfs/dbraw/zinc/59/54/40/1006595440.db2.gz AKJNHDDTTMFMEJ-UHFFFAOYSA-N 0 2 424.114 3.871 20 0 HHADLN CCOC(=O)C(C)(C)c1csc(NS(=O)(=O)c2ccc(C)cc2Cl)n1 ZINC000515702332 1006598977 /nfs/dbraw/zinc/59/89/77/1006598977.db2.gz FRPIITHAAWPXHY-UHFFFAOYSA-N 0 2 402.925 3.746 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc(C3(C(=O)OC)CC3)cc2)c1C1CC1 ZINC000538449861 1006717578 /nfs/dbraw/zinc/71/75/78/1006717578.db2.gz QFWVAHWXLJMQPE-AWEZNQCLSA-N 0 2 417.531 3.737 20 0 HHADLN COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc4c(cc(C)cc4C)s3)cc2)CC1 ZINC000538451116 1006719989 /nfs/dbraw/zinc/71/99/89/1006719989.db2.gz DFWLOKLRRCWDCY-UHFFFAOYSA-N 0 2 416.524 3.919 20 0 HHADLN COC(=O)C1(c2ccc(S(=O)(=O)Nc3nc(CC(C)(C)C)cs3)cc2)CC1 ZINC000538451766 1006721168 /nfs/dbraw/zinc/72/11/68/1006721168.db2.gz SQZVGYJWIYOECS-UHFFFAOYSA-N 0 2 408.545 3.737 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CC[C@@H](OCc4ccccn4)C3)=N2)c1 ZINC000532267338 1006758508 /nfs/dbraw/zinc/75/85/08/1006758508.db2.gz LTJRRURUFGKVHG-HXUWFJFHSA-N 0 2 406.486 3.528 20 0 HHADLN COc1ccc2c(c1)OC[C@@H]2CC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000534814393 1006821783 /nfs/dbraw/zinc/82/17/83/1006821783.db2.gz JMVOHWDEVLUFPA-LBPRGKRZSA-N 0 2 401.875 3.794 20 0 HHADLN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nnc(-c3ccco3)s2)cc1 ZINC000532367970 1006825259 /nfs/dbraw/zinc/82/52/59/1006825259.db2.gz FBQLCXGGUCMFDS-UHFFFAOYSA-N 0 2 406.489 3.584 20 0 HHADLN Cc1cc2sc(NS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)nc2c(C)c1 ZINC000532368115 1006825524 /nfs/dbraw/zinc/82/55/24/1006825524.db2.gz CXAAYTZEDWDVJU-UHFFFAOYSA-N 0 2 401.513 3.944 20 0 HHADLN Cc1ccc2c([n-]cc(C(=O)N3CCC[C@@H](c4nnc(C5CCCCC5)[nH]4)C3)c2=O)[nH+]1 ZINC000538653053 1006925681 /nfs/dbraw/zinc/92/56/81/1006925681.db2.gz SKVXUOVHVYLEQR-MRXNPFEDSA-N 0 2 420.517 3.829 20 0 HHADLN O=C(Cn1c2ccccc2nc1-c1cscn1)N=c1nc(-c2ccccc2)[nH]s1 ZINC000516173325 1006930994 /nfs/dbraw/zinc/93/09/94/1006930994.db2.gz GZUVWGCINSGYQF-UHFFFAOYSA-N 0 2 418.507 3.739 20 0 HHADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1nc2c(cccc2C)s1 ZINC000534902277 1006933552 /nfs/dbraw/zinc/93/35/52/1006933552.db2.gz NJJFJGQBYSPPIS-UHFFFAOYSA-N 0 2 417.512 3.763 20 0 HHADLN COc1cccc(-c2cc(NS(=O)(=O)c3cccc(Br)c3)n(C)n2)c1 ZINC000534941489 1006982347 /nfs/dbraw/zinc/98/23/47/1006982347.db2.gz NEYZEPYZYYLTLM-UHFFFAOYSA-N 0 2 422.304 3.659 20 0 HHADLN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000538830825 1007103581 /nfs/dbraw/zinc/10/35/81/1007103581.db2.gz SHZZEFFDJKBMCK-UHFFFAOYSA-N 0 2 415.298 3.700 20 0 HHADLN CC[C@@H](Cc1cccc(Br)c1)C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535175684 1007220361 /nfs/dbraw/zinc/22/03/61/1007220361.db2.gz SJSGVJCGHZNATQ-ZDUSSCGKSA-N 0 2 417.332 3.992 20 0 HHADLN C[C@H](Cc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000516677153 1007224558 /nfs/dbraw/zinc/22/45/58/1007224558.db2.gz OAFCZZODCXVIPP-CQSZACIVSA-N 0 2 401.513 3.761 20 0 HHADLN CC(C)(C)c1noc(-c2ccccc2C(=O)N=c2nc(-c3cccnc3)[nH]s2)n1 ZINC000535182158 1007228126 /nfs/dbraw/zinc/22/81/26/1007228126.db2.gz LWOYTKPJLOEXNV-UHFFFAOYSA-N 0 2 406.471 3.622 20 0 HHADLN O=S(=O)(Nc1cc(Br)ccc1N1CCCC1)c1cncc(Cl)c1 ZINC000532856870 1007245319 /nfs/dbraw/zinc/24/53/19/1007245319.db2.gz SBOMKTRMVJSYKX-UHFFFAOYSA-N 0 2 416.728 3.899 20 0 HHADLN C[C@@H](O)CN(Cc1ccccc1)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000516919162 1007344098 /nfs/dbraw/zinc/34/40/98/1007344098.db2.gz ARFCBJSSYMSACR-CYBMUJFWSA-N 0 2 402.907 3.695 20 0 HHADLN CCn1cc(CN(C)Cc2nc(=O)c3sc(-c4ccc(OC)cc4)cc3[nH]2)cn1 ZINC000532981085 1007352773 /nfs/dbraw/zinc/35/27/73/1007352773.db2.gz DBKVUBSVNLDASQ-UHFFFAOYSA-N 0 2 409.515 3.509 20 0 HHADLN C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)[C@H]2CCCC[C@H]12 ZINC000532994120 1007365087 /nfs/dbraw/zinc/36/50/87/1007365087.db2.gz DHPJYSMKGKQLGA-OLMNPRSZSA-N 0 2 419.572 3.985 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3sc(C)nc3-c3ccccc3)cc21 ZINC000539110721 1007397945 /nfs/dbraw/zinc/39/79/45/1007397945.db2.gz RKPLLJXOFPDXPG-UHFFFAOYSA-N 0 2 413.524 3.828 20 0 HHADLN COC(=O)c1cc(F)ccc1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000517350243 1007588307 /nfs/dbraw/zinc/58/83/07/1007588307.db2.gz OTJCEBXNLBRFBS-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN CCSCc1ccnc(NS(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)c1 ZINC000535622433 1007624006 /nfs/dbraw/zinc/62/40/06/1007624006.db2.gz YUUGIMHCXWSNRN-UHFFFAOYSA-N 0 2 407.561 3.618 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(C)ccc2F)cc(OC)c1Br ZINC000539399454 1007707423 /nfs/dbraw/zinc/70/74/23/1007707423.db2.gz PWOXXTLADGXCCU-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)c1C1CC1 ZINC000535685624 1007717917 /nfs/dbraw/zinc/71/79/17/1007717917.db2.gz KEYPXVPDXFWSAV-KBPBESRZSA-N 0 2 416.547 3.830 20 0 HHADLN O=C(CCCc1nc(-c2ccc(F)cc2)no1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000517553373 1007765588 /nfs/dbraw/zinc/76/55/88/1007765588.db2.gz VAMSYUOLZYSXDD-UHFFFAOYSA-N 0 2 415.475 3.839 20 0 HHADLN Cc1ccc(Cl)c2ccc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)nc12 ZINC000539466462 1007778709 /nfs/dbraw/zinc/77/87/09/1007778709.db2.gz JZYQNSPOJIIFHX-UHFFFAOYSA-N 0 2 403.891 3.699 20 0 HHADLN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2cnc(-c3ccccc3)s2)c1 ZINC000535780829 1007788447 /nfs/dbraw/zinc/78/84/47/1007788447.db2.gz LEDUGRBISLGVJL-UHFFFAOYSA-N 0 2 422.553 3.631 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)NCc2cccc(NC(=O)c3ccccc3)c2)s[nH]1 ZINC000533629528 1007933322 /nfs/dbraw/zinc/93/33/22/1007933322.db2.gz GPRVMUWEAGPGCT-UHFFFAOYSA-N 0 2 409.515 3.832 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1csc([C@@H]2CCCO2)n1 ZINC000535917021 1007937665 /nfs/dbraw/zinc/93/76/65/1007937665.db2.gz CDQSXPQQDGKHEM-LBPRGKRZSA-N 0 2 420.292 3.795 20 0 HHADLN CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c1 ZINC000535927226 1007949686 /nfs/dbraw/zinc/94/96/86/1007949686.db2.gz BEVOYTCBXZVJDT-UHFFFAOYSA-N 0 2 415.906 3.912 20 0 HHADLN OC(=COc1ccccc1Cc1ccccc1)Nc1nc(-c2cccnc2)ns1 ZINC000535930377 1007955273 /nfs/dbraw/zinc/95/52/73/1007955273.db2.gz ODAKGVYERGGXDY-UHFFFAOYSA-N 0 2 402.479 3.630 20 0 HHADLN O=C(COc1ccccc1Cc1ccccc1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535930377 1007955289 /nfs/dbraw/zinc/95/52/89/1007955289.db2.gz ODAKGVYERGGXDY-UHFFFAOYSA-N 0 2 402.479 3.630 20 0 HHADLN O=S(=O)(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1cc(F)cc(Cl)c1 ZINC000533691864 1008016067 /nfs/dbraw/zinc/01/60/67/1008016067.db2.gz HTTGSEWNLHRDGC-UHFFFAOYSA-N 0 2 401.250 3.573 20 0 HHADLN COC(=O)c1c(F)cccc1NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000517939077 1008064582 /nfs/dbraw/zinc/06/45/82/1008064582.db2.gz CBWNWUSMZWGNLG-UHFFFAOYSA-N 0 2 408.234 3.729 20 0 HHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC000536094795 1008116743 /nfs/dbraw/zinc/11/67/43/1008116743.db2.gz ISUWFJBWFRIRFR-GFCCVEGCSA-N 0 2 421.327 3.552 20 0 HHADLN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)cc1 ZINC000536094172 1008116943 /nfs/dbraw/zinc/11/69/43/1008116943.db2.gz DXIPUCWYFBEORC-UHFFFAOYSA-N 0 2 417.314 3.980 20 0 HHADLN Cc1n[nH]c(C(F)F)c1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000539937743 1008194071 /nfs/dbraw/zinc/19/40/71/1008194071.db2.gz BANXZYAYDUMBCE-UHFFFAOYSA-N 0 2 406.414 3.709 20 0 HHADLN CC(C)c1ccc([C@H]2CCCN2C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)cc1 ZINC000533934548 1008216995 /nfs/dbraw/zinc/21/69/95/1008216995.db2.gz UZGBXRFRGPXGCU-MRXNPFEDSA-N 0 2 400.548 3.683 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c(C(F)F)nc2c1)c1cnn(Cc2ccccc2)c1 ZINC000533938643 1008219784 /nfs/dbraw/zinc/21/97/84/1008219784.db2.gz LSNNBZPTXJRLRG-UHFFFAOYSA-N 0 2 403.414 3.546 20 0 HHADLN CC(C)(c1nnc(NS(=O)(=O)c2ccc3c(c2)CCCO3)s1)c1ccccc1 ZINC000540079142 1008276052 /nfs/dbraw/zinc/27/60/52/1008276052.db2.gz QQMFFSNUQRSTKH-UHFFFAOYSA-N 0 2 415.540 3.990 20 0 HHADLN COCCOc1c(Cl)cc(NS(=O)(=O)c2cnn(C(C)C)c2)cc1Cl ZINC000540215884 1008339444 /nfs/dbraw/zinc/33/94/44/1008339444.db2.gz WNJJHNWHLMGKKS-UHFFFAOYSA-N 0 2 408.307 3.597 20 0 HHADLN CC(C)(C)c1ccc(C(=O)NCCC(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1 ZINC000518786074 1008419707 /nfs/dbraw/zinc/41/97/07/1008419707.db2.gz OYFZIIYKHWCSHE-UHFFFAOYSA-N 0 2 414.556 3.745 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(-n2ccnc2)cc1 ZINC000518858400 1008448980 /nfs/dbraw/zinc/44/89/80/1008448980.db2.gz WSQFNUORUASJJH-UHFFFAOYSA-N 0 2 413.480 3.674 20 0 HHADLN O=S(=O)(Nc1cccc(COCc2ccco2)c1)c1cnn(-c2ccccc2)c1 ZINC000519061046 1008514489 /nfs/dbraw/zinc/51/44/89/1008514489.db2.gz AOJVAVGCQDODEW-UHFFFAOYSA-N 0 2 409.467 3.983 20 0 HHADLN CCOc1cc2c(cc1NS(=O)(=O)c1ccc3c4c(cccc41)C(=O)N3)O[C@@H](C)C2 ZINC000519119902 1008547284 /nfs/dbraw/zinc/54/72/84/1008547284.db2.gz VQWDRXODTUKGAM-LBPRGKRZSA-N 0 2 424.478 3.928 20 0 HHADLN CCc1nc2cc(S(=O)(=O)N3CCC[C@H]3c3nc(-c4ccccc4)n[nH]3)ccc2o1 ZINC000542980673 1008556599 /nfs/dbraw/zinc/55/65/99/1008556599.db2.gz KEYCWPPBAYCRQC-KRWDZBQOSA-N 0 2 423.498 3.701 20 0 HHADLN Cc1ccoc1C(=O)Cc1nc(=O)c2sc(-c3ccc4c(c3)OCCO4)cc2[nH]1 ZINC000519225845 1008631686 /nfs/dbraw/zinc/63/16/86/1008631686.db2.gz KPWZQNGUBMACPQ-UHFFFAOYSA-N 0 2 408.435 3.750 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(Cc3ccccc3F)no2)cc1 ZINC000545551549 1008649310 /nfs/dbraw/zinc/64/93/10/1008649310.db2.gz QEUVUQRYYFNJNZ-UHFFFAOYSA-N 0 2 416.459 3.724 20 0 HHADLN CCOCCOCc1cccc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)c1C ZINC000543162734 1008736605 /nfs/dbraw/zinc/73/66/05/1008736605.db2.gz LGJRFTBANAEZJF-UHFFFAOYSA-N 0 2 423.579 3.818 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1cccnc1OCC(F)(F)F ZINC000519385472 1008779763 /nfs/dbraw/zinc/77/97/63/1008779763.db2.gz JGGRHYKENPVYPH-UHFFFAOYSA-N 0 2 414.796 3.869 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000519624530 1008934464 /nfs/dbraw/zinc/93/44/64/1008934464.db2.gz YVCZWJKTIQDZBL-CQSZACIVSA-N 0 2 408.455 3.572 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)o2)cc1OC ZINC000519651123 1008940828 /nfs/dbraw/zinc/94/08/28/1008940828.db2.gz XAVAFHGSWIUNNN-UHFFFAOYSA-N 0 2 417.487 3.788 20 0 HHADLN O=S(=O)(Nc1cccc(-n2ccnc2)c1)c1cc(F)c(Br)cc1F ZINC000546086883 1009111558 /nfs/dbraw/zinc/11/15/58/1009111558.db2.gz MYHDPHMRKBYJOB-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN O=S(=O)(N[C@@H](c1nccs1)C(F)(F)F)c1cccc(Br)c1F ZINC000549525513 1009134889 /nfs/dbraw/zinc/13/48/89/1009134889.db2.gz CSKHBTOHTHABHO-VIFPVBQESA-N 0 2 419.219 3.627 20 0 HHADLN O=C(c1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1)N1CCCCCC1 ZINC000519994592 1009146448 /nfs/dbraw/zinc/14/64/48/1009146448.db2.gz GDHANGDWFAFEEO-UHFFFAOYSA-N 0 2 424.526 3.689 20 0 HHADLN Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2O)cc(S(=O)(=O)N(C)C)c1C ZINC000546153242 1009184801 /nfs/dbraw/zinc/18/48/01/1009184801.db2.gz MAPZMJWUHJPDEO-UHFFFAOYSA-N 0 2 417.314 3.818 20 0 HHADLN CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000543580415 1009186132 /nfs/dbraw/zinc/18/61/32/1009186132.db2.gz OWXBZQHMTOGWNO-SCLBCKFNSA-N 0 2 421.463 3.886 20 0 HHADLN CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000543580415 1009186134 /nfs/dbraw/zinc/18/61/34/1009186134.db2.gz OWXBZQHMTOGWNO-SCLBCKFNSA-N 0 2 421.463 3.886 20 0 HHADLN CCOc1cc2c(cc1OCC)CN(C(=O)c1c[nH]c3nc(C)ccc3c1=O)CC2 ZINC000520032027 1009187853 /nfs/dbraw/zinc/18/78/53/1009187853.db2.gz CBRCDDCRCAYZDO-UHFFFAOYSA-N 0 2 407.470 3.640 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CC[C@H](Cc4ccc(F)cc4)C3)s[nH]2)c1 ZINC000543614162 1009218943 /nfs/dbraw/zinc/21/89/43/1009218943.db2.gz XOGNEHLVPWJOSA-OAHLLOKOSA-N 0 2 412.490 3.871 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CC[C@@H](Cc4ccc(F)cc4)C3)s[nH]2)c1 ZINC000543614161 1009219139 /nfs/dbraw/zinc/21/91/39/1009219139.db2.gz XOGNEHLVPWJOSA-HNNXBMFYSA-N 0 2 412.490 3.871 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](C)c3cc(F)ccc3OC)s[nH]2)c1 ZINC000543621363 1009227088 /nfs/dbraw/zinc/22/70/88/1009227088.db2.gz NIJOEQLOOLZZJX-LLVKDONJSA-N 0 2 402.451 3.666 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(CS(C)(=O)=O)cc2)c1Cl ZINC000520077903 1009238643 /nfs/dbraw/zinc/23/86/43/1009238643.db2.gz SGHMASXNWNSDDG-UHFFFAOYSA-N 0 2 408.328 3.647 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1cccn(Cc2ccccc2)c1=O ZINC000520098610 1009256597 /nfs/dbraw/zinc/25/65/97/1009256597.db2.gz CCIRQZGBWIBFEG-UHFFFAOYSA-N 0 2 422.897 3.743 20 0 HHADLN COc1cccc(CCC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c1OC ZINC000520098047 1009256670 /nfs/dbraw/zinc/25/66/70/1009256670.db2.gz BTIZZPNRFGFWIF-UHFFFAOYSA-N 0 2 403.891 3.869 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCCCn1cnc2ccccc21 ZINC000543652535 1009257940 /nfs/dbraw/zinc/25/79/40/1009257940.db2.gz HVDLEKJHGHVQSY-UHFFFAOYSA-N 0 2 412.906 3.842 20 0 HHADLN COc1ccc(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c(OC)c1 ZINC000543654371 1009259765 /nfs/dbraw/zinc/25/97/65/1009259765.db2.gz NEROQILNBLVELK-UHFFFAOYSA-N 0 2 404.879 3.619 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N(CCCO)Cc1ccccc1 ZINC000543656202 1009263271 /nfs/dbraw/zinc/26/32/71/1009263271.db2.gz LYSQWVDEUSWBCZ-UHFFFAOYSA-N 0 2 402.907 3.697 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCN(Cc2ccsc2)CC1 ZINC000543657322 1009264492 /nfs/dbraw/zinc/26/44/92/1009264492.db2.gz OWEQEKFFXUOOES-UHFFFAOYSA-N 0 2 419.963 3.692 20 0 HHADLN COCCOc1ccc(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1 ZINC000543659810 1009267309 /nfs/dbraw/zinc/26/73/09/1009267309.db2.gz ZAVLYUZHLWBIIV-UHFFFAOYSA-N 0 2 418.906 3.627 20 0 HHADLN COC(=O)Cc1cccc(NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c1 ZINC000543659245 1009267434 /nfs/dbraw/zinc/26/74/34/1009267434.db2.gz YLZNKKHJVMVVSR-UHFFFAOYSA-N 0 2 402.863 3.640 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1ccccc1-n1cccn1 ZINC000543659010 1009267679 /nfs/dbraw/zinc/26/76/79/1009267679.db2.gz XUCIXSMXEXZIET-UHFFFAOYSA-N 0 2 410.890 3.788 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)s[nH]1 ZINC000543829526 1009391902 /nfs/dbraw/zinc/39/19/02/1009391902.db2.gz CENZWQAVUWRZME-CYBMUJFWSA-N 0 2 414.453 3.882 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@@H](C)c3ccc4c(c3)CC(=O)N4)=N2)c1 ZINC000549821965 1009432966 /nfs/dbraw/zinc/43/29/66/1009432966.db2.gz KQXFAQQFVHFVHI-AWEZNQCLSA-N 0 2 404.470 3.687 20 0 HHADLN Nc1nccc([C@@H]2CCCN(C(=O)c3cc(-c4ccccc4)cc(Cl)c3O)C2)n1 ZINC000549825075 1009435231 /nfs/dbraw/zinc/43/52/31/1009435231.db2.gz YNERBOJXHQMPLE-OAHLLOKOSA-N 0 2 408.889 4.105 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(Cl)c2)c(OC(F)F)c1 ZINC000520332794 1009466641 /nfs/dbraw/zinc/46/66/41/1009466641.db2.gz WRLREODHAROSOF-UHFFFAOYSA-N 0 2 405.806 3.837 20 0 HHADLN O=S(=O)(Cc1csc(-c2ccc(F)cc2)n1)c1n[nH]c(-c2ccccc2F)n1 ZINC000520332154 1009466819 /nfs/dbraw/zinc/46/68/19/1009466819.db2.gz AXUWYOZTUGQLCV-UHFFFAOYSA-N 0 2 418.450 3.847 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc([C@@H]3CCCCS3)no2)cc1 ZINC000546521473 1009542679 /nfs/dbraw/zinc/54/26/79/1009542679.db2.gz SYBKFVIHKPPBRY-ZDUSSCGKSA-N 0 2 408.530 3.952 20 0 HHADLN O=S(=O)(Nc1ccc(OC(F)F)nc1)c1c(Cl)cccc1Br ZINC000549934891 1009547177 /nfs/dbraw/zinc/54/71/77/1009547177.db2.gz LZFANJBZCHODKG-UHFFFAOYSA-N 0 2 413.627 3.900 20 0 HHADLN O=S(=O)(Nc1nc(Cc2ccccc2Br)cs1)c1cccnc1 ZINC000544081627 1009689087 /nfs/dbraw/zinc/68/90/87/1009689087.db2.gz RZBNULNUCPZENT-UHFFFAOYSA-N 0 2 410.318 3.692 20 0 HHADLN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000550124124 1009714256 /nfs/dbraw/zinc/71/42/56/1009714256.db2.gz UAUAGIFGFMCCCN-UHFFFAOYSA-N 0 2 406.421 3.680 20 0 HHADLN Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C(F)(F)F)c1 ZINC000546792033 1009758104 /nfs/dbraw/zinc/75/81/04/1009758104.db2.gz AHVNBLPKOLCXSM-GOSISDBHSA-N 0 2 409.433 3.822 20 0 HHADLN CCCCc1nnc(NS(=O)(=O)c2cc(F)c(Br)cc2F)s1 ZINC000546794860 1009760538 /nfs/dbraw/zinc/76/05/38/1009760538.db2.gz MVIRQAVNFYYIHX-UHFFFAOYSA-N 0 2 412.281 3.722 20 0 HHADLN O=C(CCCc1ccc2c(c1)-c1ccccc1C2)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000550220252 1009785122 /nfs/dbraw/zinc/78/51/22/1009785122.db2.gz GZABUPHMUITCMR-IBGZPJMESA-N 0 2 402.498 3.810 20 0 HHADLN CCOC(=O)c1ccn(-c2ccccc2NS(=O)(=O)c2cc(F)ccc2Cl)n1 ZINC000520800150 1009869481 /nfs/dbraw/zinc/86/94/81/1009869481.db2.gz BSKJFWXAWGFRPG-UHFFFAOYSA-N 0 2 423.853 3.642 20 0 HHADLN O=c1[nH]nc([C@@H]2CCCN(c3nc(-c4cccc(Cl)c4)nc4c3CCCC4)C2)[nH]1 ZINC000550337626 1009873239 /nfs/dbraw/zinc/87/32/39/1009873239.db2.gz KZEGVPSMFHXXJH-CQSZACIVSA-N 0 2 410.909 3.884 20 0 HHADLN COc1ccccc1Nc1ncccc1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000520820886 1009883462 /nfs/dbraw/zinc/88/34/62/1009883462.db2.gz FIFMHEBNKUPTRU-UHFFFAOYSA-N 0 2 402.414 3.577 20 0 HHADLN O=C1CCCN1c1ccc(-c2noc(-c3cccc(Br)c3O)n2)cc1 ZINC000546942783 1009900705 /nfs/dbraw/zinc/90/07/05/1009900705.db2.gz GZPGMHZNHYKWCT-UHFFFAOYSA-N 0 2 400.232 3.999 20 0 HHADLN O=S(=O)(Cc1ccc(F)cc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 ZINC000550436781 1009936965 /nfs/dbraw/zinc/93/69/65/1009936965.db2.gz ITGPHMABJMFSTN-UHFFFAOYSA-N 0 2 406.460 3.662 20 0 HHADLN Cc1ccc(CS(=O)(=O)c2n[nH]c(-c3ccccc3F)n2)cc1Br ZINC000520960916 1010007207 /nfs/dbraw/zinc/00/72/07/1010007207.db2.gz DOHCSTHERYKLAC-UHFFFAOYSA-N 0 2 410.268 3.656 20 0 HHADLN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(Cl)c1S(=O)(=O)C(C)C ZINC000550791458 1010180934 /nfs/dbraw/zinc/18/09/34/1010180934.db2.gz LUUGCPNYOITSLH-UHFFFAOYSA-N 0 2 405.900 3.770 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccccc2C[S@@](C)=O)cnn1-c1ccc(Cl)cc1 ZINC000547246339 1010192514 /nfs/dbraw/zinc/19/25/14/1010192514.db2.gz IUFXHUREOZDDHN-AREMUKBSSA-N 0 2 423.947 3.513 20 0 HHADLN Cc1cccc(Cn2nccc2NS(=O)(=O)c2cccc(Br)c2)c1 ZINC000550832016 1010207713 /nfs/dbraw/zinc/20/77/13/1010207713.db2.gz IRCDSLMLQMEVJF-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC[C@H]3c3ccc4c(c3)OCO4)s[nH]2)c1 ZINC000544600463 1010226663 /nfs/dbraw/zinc/22/66/63/1010226663.db2.gz WYLMHISFEHQMLO-INIZCTEOSA-N 0 2 424.482 3.733 20 0 HHADLN COc1ccc(C2(C(=O)Nc3nc(-c4c(F)cccc4F)n[nH]3)CCC2)cc1OC ZINC000544628960 1010252234 /nfs/dbraw/zinc/25/22/34/1010252234.db2.gz YZKFEMFVLUZVPB-UHFFFAOYSA-N 0 2 414.412 3.828 20 0 HHADLN CCC[N@H+](CC(=O)[O-])CC(=O)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000544629640 1010252736 /nfs/dbraw/zinc/25/27/36/1010252736.db2.gz BQAGOSWAGFZXBO-UHFFFAOYSA-N 0 2 416.537 3.920 20 0 HHADLN CCC[N@@H+](CC(=O)[O-])CC(=O)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000544629640 1010252747 /nfs/dbraw/zinc/25/27/47/1010252747.db2.gz BQAGOSWAGFZXBO-UHFFFAOYSA-N 0 2 416.537 3.920 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCO[C@@H](c2cccs2)C1 ZINC000544635349 1010259297 /nfs/dbraw/zinc/25/92/97/1010259297.db2.gz LTHGNOMWWJIQHL-CYBMUJFWSA-N 0 2 406.920 3.947 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@H]1CCCC[C@H]1n1cccn1 ZINC000544638985 1010263916 /nfs/dbraw/zinc/26/39/16/1010263916.db2.gz WUIROBTZTMVZAM-LSDHHAIUSA-N 0 2 402.911 3.782 20 0 HHADLN Cc1c(S(=O)(=O)[N-]c2ccccc2OCCn2cc[nH+]c2)c2ccccc2n1C ZINC000551020136 1010320868 /nfs/dbraw/zinc/32/08/68/1010320868.db2.gz GPZXMIPNOQKAEZ-UHFFFAOYSA-N 0 2 410.499 3.563 20 0 HHADLN COCn1nc(C)c(S(=O)(=O)Nc2nc3c(cccc3C(F)(F)F)s2)c1C ZINC000551025670 1010324285 /nfs/dbraw/zinc/32/42/85/1010324285.db2.gz PSSGDQNLJOYJMY-UHFFFAOYSA-N 0 2 420.438 3.533 20 0 HHADLN COc1ccc(C[C@@H](NS(=O)(=O)[C@H](C)C(F)(F)F)c2ccccc2)cc1OC ZINC000544720332 1010329125 /nfs/dbraw/zinc/32/91/25/1010329125.db2.gz MFWLOSOHQNKJJX-CZUORRHYSA-N 0 2 417.449 3.858 20 0 HHADLN CCCc1ccc(Cl)c(S(=O)(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)c1 ZINC000551106742 1010372487 /nfs/dbraw/zinc/37/24/87/1010372487.db2.gz FJMLCFNWTSGDJG-UHFFFAOYSA-N 0 2 423.890 3.775 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2O)cc1C(F)(F)F ZINC000551107550 1010373282 /nfs/dbraw/zinc/37/32/82/1010373282.db2.gz VSPKAANPTBNGFW-UHFFFAOYSA-N 0 2 409.769 3.652 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cccc(Br)c2Cl)c(OC)c1 ZINC000551113700 1010377727 /nfs/dbraw/zinc/37/77/27/1010377727.db2.gz HIZWIFKOIPWVCQ-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN Cc1ccsc1S(=O)(=O)Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2 ZINC000551118584 1010382167 /nfs/dbraw/zinc/38/21/67/1010382167.db2.gz MUHHOZCRVVHRRY-UHFFFAOYSA-N 0 2 404.485 3.561 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)c1cncnc1 ZINC000544834165 1010423908 /nfs/dbraw/zinc/42/39/08/1010423908.db2.gz ZYJOECKRCXNBNF-UHFFFAOYSA-N 0 2 423.281 3.837 20 0 HHADLN O=S(=O)(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc(F)c(F)cc1F ZINC000521539717 1010449975 /nfs/dbraw/zinc/44/99/75/1010449975.db2.gz TYYXQKHZEASCMD-UHFFFAOYSA-N 0 2 422.432 3.890 20 0 HHADLN Cc1ccnc2c1cccc2S(=O)(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000547953891 1010481375 /nfs/dbraw/zinc/48/13/75/1010481375.db2.gz FNVVBWZXGDRDEL-UHFFFAOYSA-N 0 2 413.480 3.725 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c2ccccc2n1C ZINC000551388842 1010555023 /nfs/dbraw/zinc/55/50/23/1010555023.db2.gz BMXXWDBQSFBPTR-UHFFFAOYSA-N 0 2 416.503 3.869 20 0 HHADLN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3cnc(CC4CC4)nc3)ccc2s1 ZINC000551415226 1010572583 /nfs/dbraw/zinc/57/25/83/1010572583.db2.gz OCQPYRATBMIIAJ-UHFFFAOYSA-N 0 2 417.512 3.621 20 0 HHADLN Cc1ccnc2c1cccc2S(=O)(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000548281392 1010578923 /nfs/dbraw/zinc/57/89/23/1010578923.db2.gz IMTFRLOMFMXTOP-UHFFFAOYSA-N 0 2 401.513 3.956 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCO[C@@H](c3ccc(F)cc3F)C2)=N1 ZINC000548315417 1010591022 /nfs/dbraw/zinc/59/10/22/1010591022.db2.gz YTDAULPEALITBL-LJQANCHMSA-N 0 2 417.387 3.517 20 0 HHADLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1cccc(-c2nc(C)co2)c1 ZINC000551466923 1010602906 /nfs/dbraw/zinc/60/29/06/1010602906.db2.gz IWUPLYAROKTKNF-UHFFFAOYSA-N 0 2 406.847 3.891 20 0 HHADLN CC[C@]1(C)Oc2ccc(NS(=O)(=O)c3c(Cl)cccc3C(=O)OC)cc2O1 ZINC000551468088 1010604537 /nfs/dbraw/zinc/60/45/37/1010604537.db2.gz URXKTHOEXDHJSC-GOSISDBHSA-N 0 2 411.863 3.825 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)N2CCCCC[C@H]2C)c1 ZINC000548605637 1010679469 /nfs/dbraw/zinc/67/94/69/1010679469.db2.gz ZLNREGCYQQMFKT-OAHLLOKOSA-N 0 2 418.515 3.606 20 0 HHADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 ZINC000545313799 1010726543 /nfs/dbraw/zinc/72/65/43/1010726543.db2.gz ULFXTMYWVYQOKA-UHFFFAOYSA-N 0 2 421.447 3.696 20 0 HHADLN COC(=O)Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C(C)C)cc1 ZINC000522244179 1010885981 /nfs/dbraw/zinc/88/59/81/1010885981.db2.gz XHROBVUZKSKKED-UHFFFAOYSA-N 0 2 413.499 3.647 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(/C=C\c3ccccc3)cs2)cc1 ZINC000522738651 1011186887 /nfs/dbraw/zinc/18/68/87/1011186887.db2.gz MVDLAIJMVIMAOX-YFHOEESVSA-N 0 2 400.481 3.901 20 0 HHADLN Cc1cc(N(C)C)ccc1NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1 ZINC000536134926 1011258478 /nfs/dbraw/zinc/25/84/78/1011258478.db2.gz FNAVLINKZLEVDC-UHFFFAOYSA-N 0 2 423.604 3.628 20 0 HHADLN Cc1cc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)ccc1NC(=O)c1cccs1 ZINC000536242574 1011397381 /nfs/dbraw/zinc/39/73/81/1011397381.db2.gz DITSFFLMBYBMSE-UHFFFAOYSA-N 0 2 421.507 3.897 20 0 HHADLN Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c2cccnc12 ZINC000536248760 1011404233 /nfs/dbraw/zinc/40/42/33/1011404233.db2.gz PQTWLCAUHPIPFS-SFHVURJKSA-N 0 2 419.510 3.854 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)=N1 ZINC000536251386 1011408586 /nfs/dbraw/zinc/40/85/86/1011408586.db2.gz XDFREFRZVKUOPY-QGZVFWFLSA-N 0 2 415.852 3.972 20 0 HHADLN Cn1nc(C2CCCC2)cc1NS(=O)(=O)c1ccc(F)cc1Br ZINC000541006126 1011639752 /nfs/dbraw/zinc/63/97/52/1011639752.db2.gz MIIZYOPKMJSYTN-UHFFFAOYSA-N 0 2 402.289 3.780 20 0 HHADLN COc1ccc(-c2n[nH]c(NC(=O)c3csc(-c4cccs4)n3)n2)c(OC)c1 ZINC000523336010 1011810440 /nfs/dbraw/zinc/81/04/40/1011810440.db2.gz PXOYTBISGNVVEZ-UHFFFAOYSA-N 0 2 413.484 3.926 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(C)c(NC(C)=O)c2)cnn1-c1ccccc1 ZINC000541164687 1011831864 /nfs/dbraw/zinc/83/18/64/1011831864.db2.gz KPHZQWNWCCPFBF-UHFFFAOYSA-N 0 2 412.515 3.892 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2cc(F)c(F)c(F)c2)cn1 ZINC000536701526 1011871827 /nfs/dbraw/zinc/87/18/27/1011871827.db2.gz MWODGETVIOLURW-UHFFFAOYSA-N 0 2 422.384 3.753 20 0 HHADLN CCc1ccc2nc(NS(=O)(=O)c3cc(C)cc(S(C)(=O)=O)c3C)sc2c1 ZINC000551775421 1011936825 /nfs/dbraw/zinc/93/68/25/1011936825.db2.gz BWWKRAOJERUWHN-UHFFFAOYSA-N 0 2 424.569 3.680 20 0 HHADLN O=S(=O)(Nc1cnn(CC(F)(F)F)c1)c1c(Cl)cccc1C(F)(F)F ZINC000523532929 1012062459 /nfs/dbraw/zinc/06/24/59/1012062459.db2.gz HBIKWWUCAACICK-UHFFFAOYSA-N 0 2 407.723 3.918 20 0 HHADLN CN(C[C@H]1CC=CCC1)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000541469010 1012234149 /nfs/dbraw/zinc/23/41/49/1012234149.db2.gz UXRNUKNHAINNOQ-AWEZNQCLSA-N 0 2 406.533 3.764 20 0 HHADLN O=C(CSCc1coc(-c2ccccc2)n1)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552251833 1012262594 /nfs/dbraw/zinc/26/25/94/1012262594.db2.gz OPKUBQBQLOUXRQ-UHFFFAOYSA-N 0 2 407.455 3.704 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cc(OC(F)F)cc(OC(F)F)c1 ZINC000552280066 1012292747 /nfs/dbraw/zinc/29/27/47/1012292747.db2.gz QRURWDRNKPSOOS-UHFFFAOYSA-N 0 2 412.299 3.632 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1ccc(Br)c2c1OCCC2 ZINC000552286006 1012297945 /nfs/dbraw/zinc/29/79/45/1012297945.db2.gz GAFOAGHYSDFIDO-UHFFFAOYSA-N 0 2 415.247 3.517 20 0 HHADLN O=C(Nc1cccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)c1)c1cccs1 ZINC000552605954 1012606814 /nfs/dbraw/zinc/60/68/14/1012606814.db2.gz CEPRPEIOEPWTDD-UHFFFAOYSA-N 0 2 405.439 3.743 20 0 HHADLN CC[C@@H](C)c1ccccc1N1C[C@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)CC1=O ZINC000552605264 1012607469 /nfs/dbraw/zinc/60/74/69/1012607469.db2.gz VPBRVKKERXPALX-GDBMZVCRSA-N 0 2 419.485 3.682 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NC3(c4nccs4)CCCC3)s[nH]2)c1 ZINC000541755273 1012615554 /nfs/dbraw/zinc/61/55/54/1012615554.db2.gz KYQXTEATKDMBID-UHFFFAOYSA-N 0 2 401.517 3.683 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C)CCCOc3ccc(F)cc3)s[nH]2)c1 ZINC000541756733 1012616511 /nfs/dbraw/zinc/61/65/11/1012616511.db2.gz VNFBCIWGWYKPEW-UHFFFAOYSA-N 0 2 416.478 3.708 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)[C@@H](c1ccccc1)N1CCc2ccccc21 ZINC000552626302 1012628675 /nfs/dbraw/zinc/62/86/75/1012628675.db2.gz QDBYRQDJBFDCEA-OAQYLSRUSA-N 0 2 411.465 3.920 20 0 HHADLN COC(=O)c1cccc(OCc2noc(-c3cccc(Br)c3O)n2)c1 ZINC000541780204 1012648917 /nfs/dbraw/zinc/64/89/17/1012648917.db2.gz XPSQZJNWVFBGGU-UHFFFAOYSA-N 0 2 405.204 3.570 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cccc(-n2cc[nH+]c2)c1 ZINC000523933010 1012662456 /nfs/dbraw/zinc/66/24/56/1012662456.db2.gz LXGOVAVVDGXNLU-UHFFFAOYSA-N 0 2 413.480 3.674 20 0 HHADLN C[S@](=O)C[C@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccccc1 ZINC000541796763 1012672341 /nfs/dbraw/zinc/67/23/41/1012672341.db2.gz OAEMUYMBKWRFEG-QZXCRCNTSA-N 0 2 420.947 3.522 20 0 HHADLN Cn1ccnc1[C@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccccc1 ZINC000541797838 1012674750 /nfs/dbraw/zinc/67/47/50/1012674750.db2.gz QVJDQUAQQFIIJC-MRXNPFEDSA-N 0 2 424.917 3.925 20 0 HHADLN Cc1cnn([C@@H]2CCCN(C(=O)N=c3nc(-c4ccccc4Cl)[nH]s3)C2)c1 ZINC000541798351 1012675371 /nfs/dbraw/zinc/67/53/71/1012675371.db2.gz AJFYGDZBFNVCHZ-CYBMUJFWSA-N 0 2 402.911 3.654 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000541800438 1012677889 /nfs/dbraw/zinc/67/78/89/1012677889.db2.gz LHZWQGLZMVCKOK-AWEZNQCLSA-N 0 2 413.934 3.928 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1cccc(-n2ccnc2)c1 ZINC000541800164 1012678110 /nfs/dbraw/zinc/67/81/10/1012678110.db2.gz IGUMSIZQKFAWEA-UHFFFAOYSA-N 0 2 410.890 3.788 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N[C@H]2C[C@@H]3CCC(C)(C)c4cccc2c43)s[nH]1 ZINC000537380640 1012857880 /nfs/dbraw/zinc/85/78/80/1012857880.db2.gz YRWNGYQEAFGCNB-WFASDCNBSA-N 0 2 412.559 3.612 20 0 HHADLN Cc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)nn1-c1cccc(Cl)c1 ZINC000537399087 1012882837 /nfs/dbraw/zinc/88/28/37/1012882837.db2.gz SUICORNXKPELHO-UHFFFAOYSA-N 0 2 413.890 3.817 20 0 HHADLN O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2ncc(C3CCCCC3)s2)c1 ZINC000542003292 1012884333 /nfs/dbraw/zinc/88/43/33/1012884333.db2.gz SRSMKXQQJAKGRW-UHFFFAOYSA-N 0 2 405.545 3.884 20 0 HHADLN O=S(=O)(Nc1cc(F)c(Br)c(F)c1)c1ccc(C(F)(F)F)nc1 ZINC000542012040 1012897322 /nfs/dbraw/zinc/89/73/22/1012897322.db2.gz NFNMVIBFHXHIBG-UHFFFAOYSA-N 0 2 417.153 3.942 20 0 HHADLN O=S(=O)(c1ccccc1-c1ccno1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000542049656 1012958172 /nfs/dbraw/zinc/95/81/72/1012958172.db2.gz NGLGANPAWHOPGH-QGZVFWFLSA-N 0 2 421.482 3.653 20 0 HHADLN O=S(=O)(Nc1ccc(OCc2ccncc2)cc1)c1c(Cl)nc2ccccn21 ZINC000729664884 1071778172 /nfs/dbraw/zinc/77/81/72/1071778172.db2.gz FXJSYTJEZBTABF-UHFFFAOYSA-N 0 2 414.874 3.763 20 0 HHADLN O=S(=O)(NCC(F)(F)c1ccccc1)c1cnc(Cl)cc1C(F)(F)F ZINC001212042182 1071925410 /nfs/dbraw/zinc/92/54/10/1071925410.db2.gz BDTFBJHMNABPLA-UHFFFAOYSA-N 0 2 400.756 3.824 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1scnc1C1CC1 ZINC000569171206 1072000056 /nfs/dbraw/zinc/00/00/56/1072000056.db2.gz LTBSPFSITLOPQF-KRWDZBQOSA-N 0 2 410.543 3.873 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1scnc1C1CC1 ZINC000569171207 1072000246 /nfs/dbraw/zinc/00/02/46/1072000246.db2.gz LTBSPFSITLOPQF-QGZVFWFLSA-N 0 2 410.543 3.873 20 0 HHADLN Cc1nc2ccc(NS(=O)(=O)c3cc(F)c(Br)cc3F)cc2o1 ZINC000570228269 1072203810 /nfs/dbraw/zinc/20/38/10/1072203810.db2.gz BSKICCBZOAIWOJ-UHFFFAOYSA-N 0 2 403.204 3.978 20 0 HHADLN CCCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)cc1 ZINC000760323495 1072249225 /nfs/dbraw/zinc/24/92/25/1072249225.db2.gz QGJVOHMDIJBMFI-UHFFFAOYSA-N 0 2 409.514 3.634 20 0 HHADLN Cc1c(Cl)cccc1NC(=O)C[C@H]1SC(n2nccc2C(F)(F)F)=NC1=O ZINC000913098850 1072328711 /nfs/dbraw/zinc/32/87/11/1072328711.db2.gz IIGVHJZSOGIAAM-LLVKDONJSA-N 0 2 416.812 3.739 20 0 HHADLN C[C@H](Cc1cn(C)c2ccc(F)cc12)NS(=O)(=O)c1onc(C2CC2)c1Cl ZINC001212144645 1072516053 /nfs/dbraw/zinc/51/60/53/1072516053.db2.gz BYRSOUOEHPHXKO-SNVBAGLBSA-N 0 2 411.886 3.746 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1ccc(OC(F)F)cn1 ZINC000571028774 1072534940 /nfs/dbraw/zinc/53/49/40/1072534940.db2.gz JLFSIDLUDSXWKN-UHFFFAOYSA-N 0 2 411.821 3.599 20 0 HHADLN Cc1nn(-c2ccc(Cl)cc2)c(NS(=O)(=O)c2ccc3c(c2)COC3)c1C ZINC000479125967 1072735426 /nfs/dbraw/zinc/73/54/26/1072735426.db2.gz IQBSZQBESPTZOD-UHFFFAOYSA-N 0 2 403.891 3.974 20 0 HHADLN Cc1nn(-c2ccc(Cl)cc2)c(NS(=O)(=O)c2ccc3c(c2)OCO3)c1C ZINC000479129630 1072740906 /nfs/dbraw/zinc/74/09/06/1072740906.db2.gz BBTAGGLICRXSNM-UHFFFAOYSA-N 0 2 405.863 3.672 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc2ncsc2c1 ZINC000479134015 1072744591 /nfs/dbraw/zinc/74/45/91/1072744591.db2.gz NBYPQCZPAWVWJH-UHFFFAOYSA-N 0 2 406.489 3.679 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2cccnc2N2CCCCC2)c1Br ZINC000479134983 1072746133 /nfs/dbraw/zinc/74/61/33/1072746133.db2.gz GRHMIUYRQHRXJH-UHFFFAOYSA-N 0 2 410.337 3.944 20 0 HHADLN CCC[C@@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)OCC)o3)c2C1 ZINC000479135059 1072746245 /nfs/dbraw/zinc/74/62/45/1072746245.db2.gz HLFQFNVWKYWJHE-CQSZACIVSA-N 0 2 406.504 3.761 20 0 HHADLN CCC[C@@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3ccc(C(=O)OCC)o3)c2C1 ZINC000479135059 1072746252 /nfs/dbraw/zinc/74/62/52/1072746252.db2.gz HLFQFNVWKYWJHE-CQSZACIVSA-N 0 2 406.504 3.761 20 0 HHADLN COc1cccc(Cn2ccc3ccc(NS(=O)(=O)c4c(C)n[nH]c4C)cc32)c1 ZINC000479381066 1072790040 /nfs/dbraw/zinc/79/00/40/1072790040.db2.gz VDNIEPSXCALLOI-UHFFFAOYSA-N 0 2 410.499 3.839 20 0 HHADLN COCc1nnc([C@H]2CCCCN2C(=O)Nc2cc(F)c(OC(F)F)cc2F)[nH]1 ZINC000554934449 1072967173 /nfs/dbraw/zinc/96/71/73/1072967173.db2.gz PLMZEDVFLSMOKZ-GFCCVEGCSA-N 0 2 417.363 3.590 20 0 HHADLN COC(=O)c1csc(NS(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)c1C ZINC000588849152 1073305540 /nfs/dbraw/zinc/30/55/40/1073305540.db2.gz TZSPXTXQLGFHQY-UHFFFAOYSA-N 0 2 411.501 3.518 20 0 HHADLN Cc1csc(Sc2ccc(NS(=O)(=O)c3cnn(C)c3)cc2Cl)n1 ZINC000588833240 1073317556 /nfs/dbraw/zinc/31/75/56/1073317556.db2.gz YCRZDOBZNBFGLU-UHFFFAOYSA-N 0 2 400.938 3.790 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cc(F)ccc1N1CCCCC1 ZINC000588907965 1073356360 /nfs/dbraw/zinc/35/63/60/1073356360.db2.gz GJBJOMDPKLMVIM-UHFFFAOYSA-N 0 2 421.494 3.584 20 0 HHADLN CC(C)Cn1c(Cc2ccsc2)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000555357948 1073369121 /nfs/dbraw/zinc/36/91/21/1073369121.db2.gz OJCDTXDIPGXBHW-UHFFFAOYSA-N 0 2 414.560 3.933 20 0 HHADLN Cc1cc(S(=O)(=O)N[C@H](c2nccs2)C(F)(F)F)sc1Br ZINC000555414823 1073438921 /nfs/dbraw/zinc/43/89/21/1073438921.db2.gz KLXVBVPZHFTEID-SSDOTTSWSA-N 0 2 421.285 3.857 20 0 HHADLN O=S(=O)(Nc1cnc(-c2cccc(O)c2)nc1)c1cccc(OC(F)(F)F)c1 ZINC000589979460 1073455718 /nfs/dbraw/zinc/45/57/18/1073455718.db2.gz XZNYFMRMUYXYBW-UHFFFAOYSA-N 0 2 411.361 3.549 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2ncc(-c3ccccc3F)s2)c1C ZINC000555453932 1073504065 /nfs/dbraw/zinc/50/40/65/1073504065.db2.gz WDRGGFUVOCCCRR-UHFFFAOYSA-N 0 2 406.460 3.845 20 0 HHADLN O=S(=O)(Nc1nnc(C2CC2)o1)c1cc(Br)c(Cl)cc1Cl ZINC000555471810 1073523236 /nfs/dbraw/zinc/52/32/36/1073523236.db2.gz SHSBMPIHTUOSSG-UHFFFAOYSA-N 0 2 413.080 3.817 20 0 HHADLN O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000590405583 1073789342 /nfs/dbraw/zinc/78/93/42/1073789342.db2.gz WRRIIDLSVBPAHM-AWEZNQCLSA-N 0 2 417.853 3.706 20 0 HHADLN Cc1cc(C)cc(C(=O)N2CCC[C@@H](C(=O)Nc3nc(-c4ccccc4F)n[nH]3)C2)c1 ZINC000590405521 1073789953 /nfs/dbraw/zinc/78/99/53/1073789953.db2.gz TZCJRPPFGMOWIT-MRXNPFEDSA-N 0 2 421.476 3.719 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)COc1ccc(CC)cc1 ZINC000572931265 1073878365 /nfs/dbraw/zinc/87/83/65/1073878365.db2.gz ZTNNEGIRIHLXIB-JOCHJYFZSA-N 0 2 421.541 3.867 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cnn(-c4ccc(F)cc4)c3C)s[nH]2)c1 ZINC000590554319 1073890977 /nfs/dbraw/zinc/89/09/77/1073890977.db2.gz ODVIJBHCGFDTJN-UHFFFAOYSA-N 0 2 409.446 3.521 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccnc(Sc3ccccn3)c2)c(F)c1 ZINC000590695419 1073981690 /nfs/dbraw/zinc/98/16/90/1073981690.db2.gz PETXLUFTFDRQSM-UHFFFAOYSA-N 0 2 418.475 3.526 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC000556028414 1074052052 /nfs/dbraw/zinc/05/20/52/1074052052.db2.gz MZQYHKLKVHWBBR-IMRCBTMISA-N 0 2 421.950 3.973 20 0 HHADLN Cc1ccccc1-c1noc([C@H](C)S(=O)(=O)c2n[nH]c(-c3ccccc3F)n2)n1 ZINC000573057750 1074074983 /nfs/dbraw/zinc/07/49/83/1074074983.db2.gz UVALACUEWAKELP-LBPRGKRZSA-N 0 2 413.434 3.504 20 0 HHADLN O=C(c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)N1CCC(C2OCCO2)CC1 ZINC000760812134 1074166833 /nfs/dbraw/zinc/16/68/33/1074166833.db2.gz WWOBQSNGICFCAB-UHFFFAOYSA-N 0 2 420.465 3.546 20 0 HHADLN O=C(c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)N1CCC(n2cccn2)CC1 ZINC000760813339 1074172546 /nfs/dbraw/zinc/17/25/46/1074172546.db2.gz USCGSKPUCIXBBO-UHFFFAOYSA-N 0 2 414.465 3.994 20 0 HHADLN CC[C@H](CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1)C(C)C ZINC000591663269 1074461956 /nfs/dbraw/zinc/46/19/56/1074461956.db2.gz ZHHUTXAGNIMUPU-MRXNPFEDSA-N 0 2 404.536 3.905 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cccc(-c3noc(C)n3)c2)cc1Cl ZINC000591681689 1074485686 /nfs/dbraw/zinc/48/56/86/1074485686.db2.gz CEVSJLIYTYFEEK-UHFFFAOYSA-N 0 2 424.841 3.597 20 0 HHADLN O=S(=O)(Nc1cccnc1OCc1ccccc1)c1cnn(-c2ccccc2)c1 ZINC000591683554 1074487877 /nfs/dbraw/zinc/48/78/77/1074487877.db2.gz XCLNVHSFFIOHLZ-UHFFFAOYSA-N 0 2 406.467 3.647 20 0 HHADLN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000591797485 1074546693 /nfs/dbraw/zinc/54/66/93/1074546693.db2.gz YEQQTVZRPPRWNQ-UHFFFAOYSA-N 0 2 400.422 3.823 20 0 HHADLN Cn1nc(-c2ccc(F)cc2F)cc1NS(=O)(=O)c1ccc2c(c1)C(=O)CCC2 ZINC000573617763 1074570131 /nfs/dbraw/zinc/57/01/31/1074570131.db2.gz KDEYGKOFOAKQBC-UHFFFAOYSA-N 0 2 417.437 3.685 20 0 HHADLN O=C(N[C@H]1CC12CCCC2)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC000760910958 1074622290 /nfs/dbraw/zinc/62/22/90/1074622290.db2.gz NDCRCMYOBRQECL-FQEVSTJZSA-N 0 2 419.550 3.990 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3ccc4c(c3)nc(C3CC3)n4C)cc2[nH]c1=S ZINC000761027651 1075205559 /nfs/dbraw/zinc/20/55/59/1075205559.db2.gz NFAYKMMURFDVAI-UHFFFAOYSA-N 0 2 419.510 3.722 20 0 HHADLN O=S(=O)(Cc1ccccc1NS(=O)(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000594575681 1075337379 /nfs/dbraw/zinc/33/73/79/1075337379.db2.gz QUVPAYXJURCEBS-UHFFFAOYSA-N 0 2 423.462 3.740 20 0 HHADLN CCOc1ccccc1NC(=O)Cc1noc(-c2cccc(Br)c2O)n1 ZINC000574992192 1075439517 /nfs/dbraw/zinc/43/95/17/1075439517.db2.gz POQSRZJVSCLADZ-UHFFFAOYSA-N 0 2 418.247 3.785 20 0 HHADLN O=C(CCCc1nc(-c2cccs2)no1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000596897897 1075594534 /nfs/dbraw/zinc/59/45/34/1075594534.db2.gz XPGKLTZTMBOJAW-UHFFFAOYSA-N 0 2 403.514 3.761 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1cccc(OCc2cscn2)c1 ZINC000596900389 1075594542 /nfs/dbraw/zinc/59/45/42/1075594542.db2.gz GQWHSHGZEZRHJI-UHFFFAOYSA-N 0 2 400.510 3.976 20 0 HHADLN O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1cccc(Cl)c1F ZINC000601433007 1075613859 /nfs/dbraw/zinc/61/38/59/1075613859.db2.gz JLYOBFNWTNPJQG-UHFFFAOYSA-N 0 2 402.838 3.990 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(Cc3cc(F)cc(F)c3)s2)cc1 ZINC000602092275 1075698570 /nfs/dbraw/zinc/69/85/70/1075698570.db2.gz MOTPAXVCCWZYPP-UHFFFAOYSA-N 0 2 424.450 3.600 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N(Cc3ccc(OC)cc3)C3CC3)cc2[nH]c1=S ZINC000302853342 971355196 /nfs/dbraw/zinc/35/51/96/971355196.db2.gz AWOSTUSXKKFWEO-UHFFFAOYSA-N 0 2 409.511 3.519 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 ZINC000524297893 1013109089 /nfs/dbraw/zinc/10/90/89/1013109089.db2.gz AZJHWMALSGOEET-UHFFFAOYSA-N 0 2 424.544 3.514 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)c1 ZINC000524298467 1013110892 /nfs/dbraw/zinc/11/08/92/1013110892.db2.gz KWYBNXMVFJKMAZ-UHFFFAOYSA-N 0 2 422.915 3.975 20 0 HHADLN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1nc(-c2ccncc2)ns1 ZINC000542220000 1013171535 /nfs/dbraw/zinc/17/15/35/1013171535.db2.gz IWXJSHVFFNZKLW-UHFFFAOYSA-N 0 2 402.545 3.737 20 0 HHADLN CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)s1 ZINC000001509006 960464153 /nfs/dbraw/zinc/46/41/53/960464153.db2.gz GZMQFNLWPDZVCI-UHFFFAOYSA-N 0 2 422.919 3.807 20 0 HHADLN COCCn1ccc2ccc(NS(=O)(=O)c3c(C)nn(CC(C)C)c3C)cc21 ZINC000542237447 1013196381 /nfs/dbraw/zinc/19/63/81/1013196381.db2.gz UYKINWKREJSHHQ-UHFFFAOYSA-N 0 2 404.536 3.558 20 0 HHADLN CN(C(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O)c1nccs1 ZINC000537641512 1013200531 /nfs/dbraw/zinc/20/05/31/1013200531.db2.gz SUVRDMZQBBSLBP-UHFFFAOYSA-N 0 2 423.903 3.580 20 0 HHADLN COc1ccccc1CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000006553166 960925765 /nfs/dbraw/zinc/92/57/65/960925765.db2.gz QDZBHKYWFRRSDI-UHFFFAOYSA-N 0 2 417.512 3.524 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cccc(N4CCCCCC4)c3)cnc2c1Cl ZINC000553364038 1013303418 /nfs/dbraw/zinc/30/34/18/1013303418.db2.gz BKFOVDIIOTYFLL-UHFFFAOYSA-N 0 2 419.938 3.872 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3ncccc3-c3ccccc3)cc21 ZINC000537747887 1013311298 /nfs/dbraw/zinc/31/12/98/1013311298.db2.gz UUCSKYXIJJEEPM-UHFFFAOYSA-N 0 2 407.495 3.849 20 0 HHADLN O=C(NNC(=O)c1cc(F)c(F)cc1Cl)c1ccc(COc2ccccc2)o1 ZINC000015683852 962836590 /nfs/dbraw/zinc/83/65/90/962836590.db2.gz KMXJZPWITDLNSD-UHFFFAOYSA-N 0 2 406.772 3.865 20 0 HHADLN COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cc(F)cc(F)c3)n2)c1 ZINC000016096776 962942983 /nfs/dbraw/zinc/94/29/83/962942983.db2.gz CPMIPEXCSSVOTB-UHFFFAOYSA-N 0 2 412.439 3.906 20 0 HHADLN Cc1csc(C(C#N)C(=O)CSc2nnc(-c3ccccc3Cl)n2C)n1 ZINC000020074951 963383123 /nfs/dbraw/zinc/38/31/23/963383123.db2.gz BTKTZMLMRGJXNR-GFCCVEGCSA-N 0 2 403.920 3.869 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(Cl)c2)s1)c1ccc2c(c1)CCCO2 ZINC000537872489 1013446586 /nfs/dbraw/zinc/44/65/86/1013446586.db2.gz FHLIGLUJXMVJNM-UHFFFAOYSA-N 0 2 421.931 3.908 20 0 HHADLN CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)c2)n1 ZINC000049301667 964146607 /nfs/dbraw/zinc/14/66/07/964146607.db2.gz HPODEQLVSBVXRH-UHFFFAOYSA-N 0 2 403.417 3.781 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1OC ZINC000026534414 964592105 /nfs/dbraw/zinc/59/21/05/964592105.db2.gz RFWOEQZAFNJSSG-UHFFFAOYSA-N 0 2 409.435 3.685 20 0 HHADLN N#CC(C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1nc(-c2ccccc2)cs1 ZINC000051534532 964607797 /nfs/dbraw/zinc/60/77/97/964607797.db2.gz FYJTYYXJQDLQRG-ZWKOTPCHSA-N 0 2 408.527 3.914 20 0 HHADLN N#C[C@H](C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1nc(-c2ccccc2)cs1 ZINC000051534532 964607805 /nfs/dbraw/zinc/60/78/05/964607805.db2.gz FYJTYYXJQDLQRG-ZWKOTPCHSA-N 0 2 408.527 3.914 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(OC)c(Cc2ccccc2)c1 ZINC000028779474 965181004 /nfs/dbraw/zinc/18/10/04/965181004.db2.gz FGGQTARSXSYLQJ-UHFFFAOYSA-N 0 2 417.508 3.935 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(N(CC)CC)nc3)cc2[nH]c1=S ZINC000053507391 965198322 /nfs/dbraw/zinc/19/83/22/965198322.db2.gz NPVMVRLZGWWLSK-UHFFFAOYSA-N 0 2 409.515 3.739 20 0 HHADLN Cc1c(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cnn1-c1cccc(Cl)c1 ZINC000029065912 965254414 /nfs/dbraw/zinc/25/44/14/965254414.db2.gz JTXSGZSTIQTUQI-UHFFFAOYSA-N 0 2 421.844 3.564 20 0 HHADLN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000057720088 965530079 /nfs/dbraw/zinc/53/00/79/965530079.db2.gz RICOPUQXEXWVNW-UHFFFAOYSA-N 0 2 420.428 3.736 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccccc1Cl ZINC000057933231 965584932 /nfs/dbraw/zinc/58/49/32/965584932.db2.gz IVESNTAIGDFGOO-UHFFFAOYSA-N 0 2 419.959 3.578 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cccc(C(=O)N3CCSCC3)c2C)sc1C ZINC000538011748 1013583624 /nfs/dbraw/zinc/58/36/24/1013583624.db2.gz BANWAYZXWVCCAV-UHFFFAOYSA-N 0 2 410.586 3.663 20 0 HHADLN O=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1csc(Br)c1 ZINC000030579604 965735551 /nfs/dbraw/zinc/73/55/51/965735551.db2.gz ANTUVMGODNIEOB-UHFFFAOYSA-N 0 2 421.272 3.757 20 0 HHADLN COc1cc(Cl)c(C)cc1NC(=O)CC1SC(N2CCC(C)CC2)=NC1=O ZINC000055117571 965760434 /nfs/dbraw/zinc/76/04/34/965760434.db2.gz JYJHNYAAOXVFMZ-INIZCTEOSA-N 0 2 409.939 3.716 20 0 HHADLN CCCCCC/N=C1\NC(=O)C(CC(=O)Nc2ccccc2Br)S1 ZINC000055117427 965760504 /nfs/dbraw/zinc/76/05/04/965760504.db2.gz JFVMKOUTGBVVTM-CQSZACIVSA-N 0 2 412.353 3.946 20 0 HHADLN C[C@@H]1CCCN(C2=NC(=O)C(CC(=O)Nc3ccc(Br)cc3)S2)C1 ZINC000055117768 965761391 /nfs/dbraw/zinc/76/13/91/965761391.db2.gz RFVXSMVDSBIYCV-BXUZGUMPSA-N 0 2 410.337 3.508 20 0 HHADLN O=C1CCCCN1c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000055586576 965940482 /nfs/dbraw/zinc/94/04/82/965940482.db2.gz XBGUMTDRXJRVTQ-UHFFFAOYSA-N 0 2 409.851 3.566 20 0 HHADLN O=C(COc1cccc(NS(=O)(=O)c2ccccc2F)c1)Nc1ccccc1 ZINC000055644116 965986556 /nfs/dbraw/zinc/98/65/56/965986556.db2.gz DZUAQUDNNPGYRS-UHFFFAOYSA-N 0 2 400.431 3.644 20 0 HHADLN Cc1cccc(OCCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)c1C ZINC000031485041 966031752 /nfs/dbraw/zinc/03/17/52/966031752.db2.gz YWFBLIWCYNCDON-UHFFFAOYSA-N 0 2 408.454 3.706 20 0 HHADLN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2-n2nc(C)cc2C)c1 ZINC000032086576 966191291 /nfs/dbraw/zinc/19/12/91/966191291.db2.gz IZJXJVVLKJUCHX-UHFFFAOYSA-N 0 2 419.890 3.730 20 0 HHADLN CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c(C)c3)n2)s1 ZINC000060733580 966269654 /nfs/dbraw/zinc/26/96/54/966269654.db2.gz RJICGVUXHYUJGG-UHFFFAOYSA-N 0 2 421.569 3.925 20 0 HHADLN CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)s3)n2)s1 ZINC000060733608 966269918 /nfs/dbraw/zinc/26/99/18/966269918.db2.gz XZFTXRBWTIELBZ-UHFFFAOYSA-N 0 2 413.571 3.678 20 0 HHADLN CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)cc3)n2)s1 ZINC000060733592 966269938 /nfs/dbraw/zinc/26/99/38/966269938.db2.gz UBQFJAORFFEGFQ-UHFFFAOYSA-N 0 2 407.542 3.617 20 0 HHADLN C[C@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc(NC(N)=O)cc1 ZINC000542729145 1013640732 /nfs/dbraw/zinc/64/07/32/1013640732.db2.gz NHUVJJGJPABVJX-JTQLQIEISA-N 0 2 416.894 3.654 20 0 HHADLN COc1cccc(COCCNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c1 ZINC000542729152 1013640891 /nfs/dbraw/zinc/64/08/91/1013640891.db2.gz NICDMPCDNUWXDL-UHFFFAOYSA-N 0 2 418.906 3.627 20 0 HHADLN Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2csc(Cc3ccccc3)n2)c1C ZINC000032674316 966307223 /nfs/dbraw/zinc/30/72/23/966307223.db2.gz XVGSPNRYSIWXCP-INIZCTEOSA-N 0 2 409.511 3.579 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCc1cnn(-c2ccccc2)c1 ZINC000542730164 1013642262 /nfs/dbraw/zinc/64/22/62/1013642262.db2.gz SBWIWQXRHJGPQL-UHFFFAOYSA-N 0 2 410.890 3.788 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N(CCO)[C@@H]1CCc2ccccc21 ZINC000542730141 1013642460 /nfs/dbraw/zinc/64/24/60/1013642460.db2.gz VZFOQHOWZSPYKD-QGZVFWFLSA-N 0 2 414.918 3.794 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCOC[C@H]1c1ccccc1 ZINC000542730366 1013642526 /nfs/dbraw/zinc/64/25/26/1013642526.db2.gz VELLLILRYPWXLY-INIZCTEOSA-N 0 2 400.891 3.886 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N3CCC(c4ccccc4)CC3)cc2[nH]c1=S ZINC000032745947 966322012 /nfs/dbraw/zinc/32/20/12/966322012.db2.gz FCLGFMCEVUIBAP-UHFFFAOYSA-N 0 2 405.523 3.891 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)ccc2N1 ZINC000060934520 966331673 /nfs/dbraw/zinc/33/16/73/966331673.db2.gz UEAHNJRJKNAESH-UHFFFAOYSA-N 0 2 421.450 3.774 20 0 HHADLN Cc1nc(Cc2ccccc2)sc1C(=O)NNC(=O)c1cc(-c2ccccc2)on1 ZINC000032916999 966346080 /nfs/dbraw/zinc/34/60/80/966346080.db2.gz HEPJVZXWZQATKU-UHFFFAOYSA-N 0 2 418.478 3.772 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cccc(OCc2cccs2)c1 ZINC000032945653 966350211 /nfs/dbraw/zinc/35/02/11/966350211.db2.gz XNVBYKOUCGPJKG-UHFFFAOYSA-N 0 2 411.508 3.897 20 0 HHADLN O=c1nc(CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)[nH]c2ccsc21 ZINC000036800741 966456771 /nfs/dbraw/zinc/45/67/71/966456771.db2.gz CXERSDJHODXDCX-UHFFFAOYSA-N 0 2 417.825 3.992 20 0 HHADLN COc1cccc(Nc2nnc(SCC(=O)NOCc3ccccc3)s2)c1 ZINC000039577121 966505864 /nfs/dbraw/zinc/50/58/64/966505864.db2.gz HGOCSYFKOYPFGR-UHFFFAOYSA-N 0 2 402.501 3.630 20 0 HHADLN N#CC(C(=O)COc1cccc(NC(=O)c2ccco2)c1)c1nc2ccccc2[nH]1 ZINC000041494294 966580162 /nfs/dbraw/zinc/58/01/62/966580162.db2.gz VDJVTBAWTHVJDY-INIZCTEOSA-N 0 2 400.394 3.663 20 0 HHADLN N#C[C@@H](C(=O)COc1cccc(NC(=O)c2ccco2)c1)c1nc2ccccc2[nH]1 ZINC000041494294 966580168 /nfs/dbraw/zinc/58/01/68/966580168.db2.gz VDJVTBAWTHVJDY-INIZCTEOSA-N 0 2 400.394 3.663 20 0 HHADLN Cc1csc([C@@H](C#N)C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)n1 ZINC000041519163 966584299 /nfs/dbraw/zinc/58/42/99/966584299.db2.gz RREATJLOWXVECX-GWCFXTLKSA-N 0 2 412.540 3.683 20 0 HHADLN N#C[C@@H](C(=O)CCc1nc2ccccc2c(=O)[nH]1)c1nc(-c2ccccc2)cs1 ZINC000041537687 966590401 /nfs/dbraw/zinc/59/04/01/966590401.db2.gz ZCXOEFXJUJVLRX-INIZCTEOSA-N 0 2 400.463 3.856 20 0 HHADLN N#C[C@@H](C(=O)CCN1C(=O)COc2ccccc21)c1nc(-c2ccccc2)cs1 ZINC000041534281 966590625 /nfs/dbraw/zinc/59/06/25/966590625.db2.gz YZLWGTKOLITGHV-INIZCTEOSA-N 0 2 403.463 3.802 20 0 HHADLN COCc1ccc(S(=O)(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)cc1 ZINC000538092236 1013663659 /nfs/dbraw/zinc/66/36/59/1013663659.db2.gz IKOLPZJDLIWIKA-UHFFFAOYSA-N 0 2 413.286 3.521 20 0 HHADLN O=C1c2ccccc2N[C@H](c2cc([N+](=O)[O-])ccc2O)N1c1ccc2c(c1)OCO2 ZINC000041864151 966654305 /nfs/dbraw/zinc/65/43/05/966654305.db2.gz PWDDGZZTPHGTAT-FQEVSTJZSA-N 0 2 405.366 3.800 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nc(C)c3c(n2)CCCC3)sc1Br ZINC000542762202 1013667490 /nfs/dbraw/zinc/66/74/90/1013667490.db2.gz FQWDHWVHGZQKOK-UHFFFAOYSA-N 0 2 402.339 3.597 20 0 HHADLN CCCC(=O)Nc1cccc(NS(=O)(=O)c2cc(OC)c(OC)cc2F)c1C ZINC000063181195 966769324 /nfs/dbraw/zinc/76/93/24/966769324.db2.gz SRBNWRXATZLXGB-UHFFFAOYSA-N 0 2 410.467 3.691 20 0 HHADLN CC(C)CCOc1cccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1 ZINC000064373994 967159129 /nfs/dbraw/zinc/15/91/29/967159129.db2.gz FBPHKXWPQLMWAD-UHFFFAOYSA-N 0 2 406.479 3.936 20 0 HHADLN Cc1ccc(F)cc1S(=O)(=O)Nc1ccccc1NS(=O)(=O)c1ccccc1 ZINC000064478039 967204337 /nfs/dbraw/zinc/20/43/37/967204337.db2.gz QJCGBVRGDVFNGA-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN Cn1c(SCc2n[nH]c(=O)[nH]2)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000538147433 1013706765 /nfs/dbraw/zinc/70/67/65/1013706765.db2.gz XFWRIQZTFFCPKX-NSHDSACASA-N 0 2 404.565 3.811 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2c(C)cnn2[C@H]2CCCc3ccccc32)cn1 ZINC000542865546 1013719420 /nfs/dbraw/zinc/71/94/20/1013719420.db2.gz LKESSKTZFYYLEU-IBGZPJMESA-N 0 2 412.515 3.712 20 0 HHADLN O=C(NNC(=O)c1cccnc1Oc1ccc(Cl)cc1Cl)c1ccccn1 ZINC000065578507 967532369 /nfs/dbraw/zinc/53/23/69/967532369.db2.gz SVYVWAMXQJEWGK-UHFFFAOYSA-N 0 2 403.225 3.651 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(Cl)ccc1O ZINC000073312208 968994780 /nfs/dbraw/zinc/99/47/80/968994780.db2.gz YFXXSIRNLOTJLH-UHFFFAOYSA-N 0 2 409.876 3.555 20 0 HHADLN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Oc1c(Cl)cc(Cl)cc1Cl ZINC000111197277 969799204 /nfs/dbraw/zinc/79/92/04/969799204.db2.gz RQUVAWRHACUBRB-UHFFFAOYSA-N 0 2 400.649 3.748 20 0 HHADLN COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1cccc2ncccc21 ZINC000216127991 970064008 /nfs/dbraw/zinc/06/40/08/970064008.db2.gz NKXNYHAIFWPLJL-UHFFFAOYSA-N 0 2 421.272 3.585 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3Cc3ccc(C)cc3)cc2[nH]c1=S ZINC000217180062 970083836 /nfs/dbraw/zinc/08/38/36/970083836.db2.gz LHOKFCFSXGXGQR-GOSISDBHSA-N 0 2 407.539 3.861 20 0 HHADLN CC(C)Cc1nnc(NS(=O)(=O)c2ccc(Br)cc2Cl)s1 ZINC000227756421 970121266 /nfs/dbraw/zinc/12/12/66/970121266.db2.gz QWXTUCCYNVCERP-UHFFFAOYSA-N 0 2 410.746 3.953 20 0 HHADLN COC(=O)c1sccc1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000234579602 970141183 /nfs/dbraw/zinc/14/11/83/970141183.db2.gz UVQQDVXKUINTHZ-UHFFFAOYSA-N 0 2 410.698 3.751 20 0 HHADLN O=C(NCCc1ccccc1Cl)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000148274627 970356114 /nfs/dbraw/zinc/35/61/14/970356114.db2.gz ULWUFNKFUDHJMG-UHFFFAOYSA-N 0 2 421.931 3.570 20 0 HHADLN O=C(C1=NN(c2ccccc2)CC1=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000554669013 1014006930 /nfs/dbraw/zinc/00/69/30/1014006930.db2.gz JUPOTUODTLNUSU-SFHVURJKSA-N 0 2 417.387 3.810 20 0 HHADLN Cc1ccc(C(=O)NN=Cc2cc(Br)c(O)c(Br)c2)o1 ZINC000254297007 970569431 /nfs/dbraw/zinc/56/94/31/970569431.db2.gz XCAPIBPEGNPCGU-UHFFFAOYSA-N 0 2 402.042 3.583 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2cc(I)ccc2C)c1F ZINC000313223685 972633683 /nfs/dbraw/zinc/63/36/83/972633683.db2.gz YRLGSOMSANPJRZ-UHFFFAOYSA-N 0 2 405.232 3.848 20 0 HHADLN Cc1c(Cl)cc(S(=O)(=O)Nc2cccc(Br)n2)cc1[N+](=O)[O-] ZINC000314536963 972639785 /nfs/dbraw/zinc/63/97/85/972639785.db2.gz WWHVRJDTZHMPSQ-UHFFFAOYSA-N 0 2 406.645 3.515 20 0 HHADLN COc1c(C)ccc(NS(=O)(=O)c2cc(Br)cnc2Cl)c1C ZINC000316048709 972648289 /nfs/dbraw/zinc/64/82/89/972648289.db2.gz HQCZAOOQBPNXSD-UHFFFAOYSA-N 0 2 405.701 3.924 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(Br)c(F)c1 ZINC000318735645 972665090 /nfs/dbraw/zinc/66/50/90/972665090.db2.gz MVEWPMKXTCMJMI-UHFFFAOYSA-N 0 2 408.270 3.546 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2c(Cl)cccc2Br)c1C ZINC000324025254 972718334 /nfs/dbraw/zinc/71/83/34/972718334.db2.gz OVSRPVAHRHKERR-UHFFFAOYSA-N 0 2 418.696 3.998 20 0 HHADLN O=C(Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1cccc(C2CCC2)c1 ZINC000409468013 972915211 /nfs/dbraw/zinc/91/52/11/972915211.db2.gz DDZPJEAPFAOWFB-UHFFFAOYSA-N 0 2 414.512 3.859 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000409494059 972945268 /nfs/dbraw/zinc/94/52/68/972945268.db2.gz ZDYXKZANWNXEHF-UHFFFAOYSA-N 0 2 406.485 3.531 20 0 HHADLN CC[C@H]1CCc2nc(NS(=O)(=O)c3cc(Cl)ccc3C(=O)OC)sc2C1 ZINC000409534535 972990819 /nfs/dbraw/zinc/99/08/19/972990819.db2.gz HKRCECIHKUBBCX-JTQLQIEISA-N 0 2 414.936 3.899 20 0 HHADLN CC[C@H]1CCc2nc(NS(=O)(=O)c3cnn(Cc4ccccc4)c3)sc2C1 ZINC000409539676 972996257 /nfs/dbraw/zinc/99/62/57/972996257.db2.gz YBBWHDHLALADDA-AWEZNQCLSA-N 0 2 402.545 3.704 20 0 HHADLN COc1ccccc1CC(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000409542144 972998103 /nfs/dbraw/zinc/99/81/03/972998103.db2.gz DCQVJHRVUWIWHA-UHFFFAOYSA-N 0 2 405.227 3.563 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 ZINC000409596182 973043366 /nfs/dbraw/zinc/04/33/66/973043366.db2.gz RTKWBTYSOFJRHQ-UHFFFAOYSA-N 0 2 419.890 3.547 20 0 HHADLN Cc1cnn(Cc2cc(F)ccc2F)c1NS(=O)(=O)c1cccc2ncccc21 ZINC000409647183 973098196 /nfs/dbraw/zinc/09/81/96/973098196.db2.gz ZXFLBSJMSBFOJU-UHFFFAOYSA-N 0 2 414.437 3.867 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3ccc(C)c(F)c3)s2)c1 ZINC000409663598 973119534 /nfs/dbraw/zinc/11/95/34/973119534.db2.gz BSEVDUJZJSQCAI-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000410061073 973544017 /nfs/dbraw/zinc/54/40/17/973544017.db2.gz ZXPWKSHEYKCZDZ-MRXNPFEDSA-N 0 2 408.531 3.571 20 0 HHADLN Cc1c(NS(=O)(=O)Cc2ccccc2C)nnn1Cc1ccc(C(F)(F)F)cc1 ZINC000410325452 973881116 /nfs/dbraw/zinc/88/11/16/973881116.db2.gz ISRJBOWKJJXEGI-UHFFFAOYSA-N 0 2 424.448 3.904 20 0 HHADLN CC1(C)Cc2cccc(S(=O)(=O)Nc3nnc(/C=C/c4ccco4)s3)c2O1 ZINC000410326598 973887794 /nfs/dbraw/zinc/88/77/94/973887794.db2.gz OIMQVBQXKRRAQY-CMDGGOBGSA-N 0 2 403.485 3.816 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3cc(C)nn3C3CCOCC3)c2)n1 ZINC000410327361 973889838 /nfs/dbraw/zinc/88/98/38/973889838.db2.gz JTAQCVQMEDZJCT-UHFFFAOYSA-N 0 2 418.544 3.776 20 0 HHADLN CCc1nc(NS(=O)(=O)c2cccc(-c3nc(C)cs3)c2)sc1C(=O)OC ZINC000410335063 973912927 /nfs/dbraw/zinc/91/29/27/973912927.db2.gz ZSFHKWILBXVNMH-UHFFFAOYSA-N 0 2 423.541 3.725 20 0 HHADLN O=S(=O)(Nc1cn[nH]c1)c1ccc(Oc2cccc(F)c2)c(Br)c1 ZINC000410335168 973913865 /nfs/dbraw/zinc/91/38/65/973913865.db2.gz MDPAMIPAAUQNTF-UHFFFAOYSA-N 0 2 412.240 3.904 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3cc([C@H]4CCCOC4)nn3C)c2)n1 ZINC000410335702 973914571 /nfs/dbraw/zinc/91/45/71/973914571.db2.gz VZRSNAXRRFXWFX-HNNXBMFYSA-N 0 2 418.544 3.547 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3nnc(-c4ccccn4)s3)c2)n1 ZINC000410354132 973946142 /nfs/dbraw/zinc/94/61/42/973946142.db2.gz OFGDHMQPWWVJCR-UHFFFAOYSA-N 0 2 415.525 3.833 20 0 HHADLN CCNC(=O)Nc1cccc(NS(=O)(=O)c2cccc(Br)c2F)c1 ZINC000410369125 973963689 /nfs/dbraw/zinc/96/36/89/973963689.db2.gz AAWNTOQLGWFLGY-UHFFFAOYSA-N 0 2 416.272 3.530 20 0 HHADLN CCCOc1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000410371606 973967709 /nfs/dbraw/zinc/96/77/09/973967709.db2.gz SZBIEIHKIXXQQN-UHFFFAOYSA-N 0 2 403.287 3.682 20 0 HHADLN COc1cncc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)c(Cl)c2)c1 ZINC000410375784 973973548 /nfs/dbraw/zinc/97/35/48/973973548.db2.gz QKXMMVSQNGHIJI-CYBMUJFWSA-N 0 2 423.922 3.559 20 0 HHADLN CC(C)Cc1ncc(NS(=O)(=O)c2ccc(Cl)cc2Br)cn1 ZINC000410398013 973997399 /nfs/dbraw/zinc/99/73/99/973997399.db2.gz NKMXAJXDTAZEOP-UHFFFAOYSA-N 0 2 404.717 3.892 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2cccc(Br)c2F)c(C)cc1C ZINC000410402374 974002476 /nfs/dbraw/zinc/00/24/76/974002476.db2.gz ZTZPLPDSKSAWDU-UHFFFAOYSA-N 0 2 416.268 3.792 20 0 HHADLN COc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000425941974 974051160 /nfs/dbraw/zinc/05/11/60/974051160.db2.gz LALKDSJLQDMHQO-UHFFFAOYSA-N 0 2 403.287 3.505 20 0 HHADLN COc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000425961820 974065202 /nfs/dbraw/zinc/06/52/02/974065202.db2.gz UXRYSEARMJOVKV-UHFFFAOYSA-N 0 2 403.287 3.505 20 0 HHADLN CCOc1ccc(C(=O)N2CCCCC2)cc1NS(=O)(=O)c1cc(C)cc(F)c1 ZINC000426003951 974118673 /nfs/dbraw/zinc/11/86/73/974118673.db2.gz MWYWTCDHGSLVGB-UHFFFAOYSA-N 0 2 420.506 3.960 20 0 HHADLN C[C@@H](c1ccc(Br)cc1)S(=O)(=O)c1n[nH]c(-c2ccccc2F)n1 ZINC000427056853 974863805 /nfs/dbraw/zinc/86/38/05/974863805.db2.gz KPSIWQNWIPHIIK-JTQLQIEISA-N 0 2 410.268 3.908 20 0 HHADLN O=C1CSc2ccc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3F)cc2N1 ZINC000427133914 974930141 /nfs/dbraw/zinc/93/01/41/974930141.db2.gz SXYRCBBSQQOBKT-UHFFFAOYSA-N 0 2 422.381 3.569 20 0 HHADLN Cc1c2ccc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3F)cc2nn1C ZINC000427302600 975038169 /nfs/dbraw/zinc/03/81/69/975038169.db2.gz RWYVKYDCJHNOAX-UHFFFAOYSA-N 0 2 403.357 3.720 20 0 HHADLN COCc1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc(C(=O)OC)c1 ZINC000427335162 975060531 /nfs/dbraw/zinc/06/05/31/975060531.db2.gz MKJFFYOLSYSHHF-UHFFFAOYSA-N 0 2 422.261 3.866 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N[C@H]2CCc3ccc(-c4ccccc4)cc32)s[nH]1 ZINC000427417547 975103864 /nfs/dbraw/zinc/10/38/64/975103864.db2.gz VSKQUDYCCKPJHS-SFHVURJKSA-N 0 2 420.538 3.667 20 0 HHADLN CN(C)c1ccc(S(=O)(=O)Nc2cccc(-c3ccc(F)cc3Cl)n2)cn1 ZINC000427640803 975220771 /nfs/dbraw/zinc/22/07/71/975220771.db2.gz CDGWJQXCROVANQ-UHFFFAOYSA-N 0 2 406.870 3.803 20 0 HHADLN O=S(=O)(Nc1ccc(OC(F)F)cn1)c1ccc(Cl)cc1Br ZINC000427654011 975225903 /nfs/dbraw/zinc/22/59/03/975225903.db2.gz LQKDFGGRXRPYGE-UHFFFAOYSA-N 0 2 413.627 3.900 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cncnc2-c2ccccc2)c1 ZINC000427745571 975264328 /nfs/dbraw/zinc/26/43/28/975264328.db2.gz NYXGCQRZGARZCQ-UHFFFAOYSA-N 0 2 417.874 3.775 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc3ccsc3s2)c1 ZINC000427756801 975270942 /nfs/dbraw/zinc/27/09/42/975270942.db2.gz XHXLXSRGNKDXRO-UHFFFAOYSA-N 0 2 402.906 3.989 20 0 HHADLN CC(=O)Nc1ccc2nc(NS(=O)(=O)c3ccc4nc(C)sc4c3)sc2c1 ZINC000427763245 975275058 /nfs/dbraw/zinc/27/50/58/975275058.db2.gz SBXUNILZLLYXTC-UHFFFAOYSA-N 0 2 418.525 3.974 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccnn2[C@H](C)c2cc(Cl)ccc2Cl)cnn1C ZINC000427772340 975280406 /nfs/dbraw/zinc/28/04/06/975280406.db2.gz UTQSUMQPECUKCU-SNVBAGLBSA-N 0 2 414.318 3.642 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)sc1C ZINC000430384459 977515324 /nfs/dbraw/zinc/51/53/24/977515324.db2.gz FXRQSJVNHKGWRZ-UHFFFAOYSA-N 0 2 400.953 3.651 20 0 HHADLN COC(=O)[C@H](CC(C)C)NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430403900 977525358 /nfs/dbraw/zinc/52/53/58/977525358.db2.gz HNTDXBVZFPODMB-FQEVSTJZSA-N 0 2 408.454 3.638 20 0 HHADLN O=C(N[C@H](CCO)c1ccco1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430572628 977638402 /nfs/dbraw/zinc/63/84/02/977638402.db2.gz PVYPCQXCMSRNPM-HXUWFJFHSA-N 0 2 404.422 3.767 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000430900382 977867374 /nfs/dbraw/zinc/86/73/74/977867374.db2.gz NTDWGHQGLNFNLF-CVEARBPZSA-N 0 2 409.465 3.658 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)ccc1C ZINC000431320441 978206207 /nfs/dbraw/zinc/20/62/07/978206207.db2.gz KQMBQSUVXDKBAD-UHFFFAOYSA-N 0 2 423.903 3.754 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)ccc1C ZINC000431324381 978209421 /nfs/dbraw/zinc/20/94/21/978209421.db2.gz WNLDQESHZOZYQX-UHFFFAOYSA-N 0 2 417.512 3.718 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)c1 ZINC000431327156 978212754 /nfs/dbraw/zinc/21/27/54/978212754.db2.gz QFTLBJBTHKQAFH-UHFFFAOYSA-N 0 2 405.501 3.640 20 0 HHADLN CCOC(=O)c1cccc(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)c1 ZINC000431330088 978215311 /nfs/dbraw/zinc/21/53/11/978215311.db2.gz VCORWCMUFMXQFT-UHFFFAOYSA-N 0 2 417.512 3.799 20 0 HHADLN CCOC(=O)c1cccc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)c1 ZINC000431334052 978218365 /nfs/dbraw/zinc/21/83/65/978218365.db2.gz UXVIGRVDGLEEPG-UHFFFAOYSA-N 0 2 423.903 3.836 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cnn1-c1ccc(C)cc1 ZINC000431894371 978584152 /nfs/dbraw/zinc/58/41/52/978584152.db2.gz PMCSEOGQSDFKBH-UHFFFAOYSA-N 0 2 422.510 3.776 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2ccc(C)s2)cc(Br)c1F ZINC000431919736 978601434 /nfs/dbraw/zinc/60/14/34/978601434.db2.gz QWHGNYJNSPFTJC-UHFFFAOYSA-N 0 2 408.270 3.546 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(C(C)=O)cc2)cnn1-c1ccc(F)cc1 ZINC000432079453 978671608 /nfs/dbraw/zinc/67/16/08/978671608.db2.gz RPYVNEDSCXQECZ-UHFFFAOYSA-N 0 2 401.463 3.967 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cnn1-c1ccc(F)cc1 ZINC000432086055 978674455 /nfs/dbraw/zinc/67/44/55/978674455.db2.gz VKBMXWVPHOEQTF-UHFFFAOYSA-N 0 2 416.478 3.723 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cccc(COC)c2)cnn1-c1ccc(F)cc1 ZINC000432087291 978674888 /nfs/dbraw/zinc/67/48/88/978674888.db2.gz CBRHXUSOTAXXOK-UHFFFAOYSA-N 0 2 403.479 3.911 20 0 HHADLN Cc1cncc(NS(=O)(=O)c2c(Br)cc(F)cc2Br)c1 ZINC000432346094 978769662 /nfs/dbraw/zinc/76/96/62/978769662.db2.gz HWZBNRYCKNFWDR-UHFFFAOYSA-N 0 2 424.089 3.855 20 0 HHADLN O=S(=O)(Nc1nnc([C@@H]2CCCc3ccccc32)s1)c1ccc2c(c1)COC2 ZINC000432532714 978868721 /nfs/dbraw/zinc/86/87/21/978868721.db2.gz UWXDOZPJWYYVCC-GOSISDBHSA-N 0 2 413.524 3.837 20 0 HHADLN COC(=O)c1ccccc1CC1CCN(C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC1 ZINC000432783262 978973455 /nfs/dbraw/zinc/97/34/55/978973455.db2.gz AJCPKWXWBNOHBR-UHFFFAOYSA-N 0 2 416.547 3.531 20 0 HHADLN COc1ccccc1-c1nnc(NS(=O)(=O)c2cc(Cl)c(OC)cc2C)o1 ZINC000432958523 979024131 /nfs/dbraw/zinc/02/41/31/979024131.db2.gz HJZPIMDJWLJDSR-UHFFFAOYSA-N 0 2 409.851 3.516 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2ccnn2-c2cc(C)ccn2)cc1C(C)C ZINC000432959467 979024654 /nfs/dbraw/zinc/02/46/54/979024654.db2.gz JLSYIIBIPPDBBO-UHFFFAOYSA-N 0 2 400.504 3.817 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cc(Cl)c(OC)cc2C)nc1C1CC1 ZINC000432964913 979027239 /nfs/dbraw/zinc/02/72/39/979027239.db2.gz KJNJUGDDDJEKGG-UHFFFAOYSA-N 0 2 416.908 3.578 20 0 HHADLN Cc1ccoc1CN(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000432998840 979037221 /nfs/dbraw/zinc/03/72/21/979037221.db2.gz JQNPJFNDRBSXAR-UHFFFAOYSA-N 0 2 406.489 3.509 20 0 HHADLN Cc1c(C(=O)Nc2nc(-c3ccncc3)n[nH]2)nnn1-c1ccc(-c2ccccc2)cc1 ZINC000433099652 979072940 /nfs/dbraw/zinc/07/29/40/979072940.db2.gz BDAJWBULRWLCOI-UHFFFAOYSA-N 0 2 422.452 3.675 20 0 HHADLN CC(C)n1nc(-c2ccco2)cc1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000433144483 979097748 /nfs/dbraw/zinc/09/77/48/979097748.db2.gz CKDFFNXQOOJOCM-UHFFFAOYSA-N 0 2 415.450 3.850 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ncc(C)c(-c2ccccc2)n1 ZINC000433158927 979106462 /nfs/dbraw/zinc/10/64/62/979106462.db2.gz CGELXSNIDZROGW-UHFFFAOYSA-N 0 2 417.874 3.693 20 0 HHADLN Cc1cc(C)nc(-n2nccc2NS(=O)(=O)c2ccc(OCCC(C)C)cc2)n1 ZINC000433388884 979270173 /nfs/dbraw/zinc/27/01/73/979270173.db2.gz WCJOOLTZPBFDDM-UHFFFAOYSA-N 0 2 415.519 3.505 20 0 HHADLN COCCOc1ccc(NS(=O)(=O)c2cc(C)c(Br)s2)c(C)c1 ZINC000433485903 979331168 /nfs/dbraw/zinc/33/11/68/979331168.db2.gz BWXQOFLYSZONJT-UHFFFAOYSA-N 0 2 420.350 3.953 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NC[C@@H]3CCCN(c4ccccc4)C3)s[nH]2)c1 ZINC000433586558 979405841 /nfs/dbraw/zinc/40/58/41/979405841.db2.gz UFODOYGDAKMYFV-INIZCTEOSA-N 0 2 423.542 3.674 20 0 HHADLN COC(=O)c1sccc1NS(=O)(=O)c1cc(Br)sc1Cl ZINC000433594390 979411875 /nfs/dbraw/zinc/41/18/75/979411875.db2.gz CVIKACUPSDUEIK-UHFFFAOYSA-N 0 2 416.727 3.813 20 0 HHADLN CCNC(=O)Nc1cccc(NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1C ZINC000433735450 979531807 /nfs/dbraw/zinc/53/18/07/979531807.db2.gz ASMAORQBZULGHG-UHFFFAOYSA-N 0 2 414.491 3.511 20 0 HHADLN CCCCc1[nH]c2ccc(NS(=O)(=O)c3ccc(CCC(=O)[O-])cc3)cc2[nH+]1 ZINC000433808116 979589891 /nfs/dbraw/zinc/58/98/91/979589891.db2.gz BFKGKHTYSFXSJS-UHFFFAOYSA-N 0 2 401.488 3.724 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)NCc1nccn1CCCc1ccccc1 ZINC000434007768 979754433 /nfs/dbraw/zinc/75/44/33/979754433.db2.gz JABJOKADEUVERD-UHFFFAOYSA-N 0 2 418.526 3.778 20 0 HHADLN CCCCCc1nnc(NS(=O)(=O)c2cc(F)ccc2Br)s1 ZINC000434975776 980543645 /nfs/dbraw/zinc/54/36/45/980543645.db2.gz GLFUTQXVEOQIQC-UHFFFAOYSA-N 0 2 408.318 3.973 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1-n1cccn1)c1cc(F)ccc1Br ZINC000435129546 980660713 /nfs/dbraw/zinc/66/07/13/980660713.db2.gz KKFNPVPYOFKUQV-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccccc2NC(=O)N(C)C)c1Br ZINC000435139724 980671571 /nfs/dbraw/zinc/67/15/71/980671571.db2.gz FKKWSPSASLTPFQ-UHFFFAOYSA-N 0 2 412.309 3.652 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2ccccc2O[C@@H]2CCOC2)c1Br ZINC000435140634 980672160 /nfs/dbraw/zinc/67/21/60/980672160.db2.gz UNALYVUYEYIVKA-CYBMUJFWSA-N 0 2 412.305 3.726 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C)cc1Cl ZINC000435145541 980677010 /nfs/dbraw/zinc/67/70/10/980677010.db2.gz FRTLIMCAZMSUPU-UHFFFAOYSA-N 0 2 404.879 3.593 20 0 HHADLN CNC(=O)c1cc2cc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)ccc2[nH]1 ZINC000435476418 980889945 /nfs/dbraw/zinc/88/99/45/980889945.db2.gz FLYDDIQHWISHRS-UHFFFAOYSA-N 0 2 416.261 3.774 20 0 HHADLN O=C1CSc2ccc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)cc2N1 ZINC000435504342 980906866 /nfs/dbraw/zinc/90/68/66/980906866.db2.gz ZDZWOXGOZVWTRP-UHFFFAOYSA-N 0 2 407.275 3.978 20 0 HHADLN CN(C)C(=O)Nc1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)c(Cl)c1 ZINC000435578812 980948543 /nfs/dbraw/zinc/94/85/43/980948543.db2.gz IZQDFVIIYAQEGO-UHFFFAOYSA-N 0 2 420.807 3.749 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cnn(C3CCCC3)c2C)ccc1Br ZINC000435718737 981000750 /nfs/dbraw/zinc/00/07/50/981000750.db2.gz GFASLWBHWRZBLD-UHFFFAOYSA-N 0 2 414.325 3.879 20 0 HHADLN O=S(=O)(Nc1cccc(CN2CCOCC2)c1)c1c(Cl)cc(F)cc1Cl ZINC000435906321 981086160 /nfs/dbraw/zinc/08/61/60/981086160.db2.gz FSKOXUYDDZIDQH-UHFFFAOYSA-N 0 2 419.305 3.766 20 0 HHADLN Cn1cc(-c2[nH]ncc2C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)cn1 ZINC000435947190 981108169 /nfs/dbraw/zinc/10/81/69/981108169.db2.gz CUUPQQMIJBDFCA-IBGZPJMESA-N 0 2 410.481 3.853 20 0 HHADLN CC(=O)N(Cc1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1)C(C)C ZINC000436010640 981152924 /nfs/dbraw/zinc/15/29/24/981152924.db2.gz YRGWYWJHIXPTAV-UHFFFAOYSA-N 0 2 424.526 3.701 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1)NC1CC1 ZINC000436016370 981156638 /nfs/dbraw/zinc/15/66/38/981156638.db2.gz QKPNIXLYBFECLW-UHFFFAOYSA-N 0 2 417.384 3.929 20 0 HHADLN CCOC(=O)Cc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000436015949 981156830 /nfs/dbraw/zinc/15/68/30/981156830.db2.gz ORSDHBFEHUNEFO-UHFFFAOYSA-N 0 2 405.369 3.751 20 0 HHADLN CSc1ccccc1S(=O)(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1 ZINC000436026926 981165499 /nfs/dbraw/zinc/16/54/99/981165499.db2.gz ZTUBLESKTAWADZ-UHFFFAOYSA-N 0 2 417.487 3.996 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)Nc1ccccc1N(C)C ZINC000436493397 981399153 /nfs/dbraw/zinc/39/91/53/981399153.db2.gz FWVIAMOHJIOVMK-LJQANCHMSA-N 0 2 421.545 3.997 20 0 HHADLN O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)c1cc(F)c(O)c(F)c1 ZINC000436523525 981416865 /nfs/dbraw/zinc/41/68/65/981416865.db2.gz UEPVNUCFVMFGTR-UHFFFAOYSA-N 0 2 403.406 3.897 20 0 HHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000436529083 981421876 /nfs/dbraw/zinc/42/18/76/981421876.db2.gz JQIDGKDTVLJPGB-LBPRGKRZSA-N 0 2 403.360 3.879 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NC(=O)c3cc(F)c(O)c(F)c3)s2)c1 ZINC000436533061 981424173 /nfs/dbraw/zinc/42/41/73/981424173.db2.gz SVEWTHFPLNFVBK-UHFFFAOYSA-N 0 2 404.394 3.757 20 0 HHADLN COc1ccc(-c2nc(NC(=O)c3c(O)cc(Cl)cc3Cl)n[nH]2)c(OC)c1 ZINC000436540183 981429694 /nfs/dbraw/zinc/42/96/94/981429694.db2.gz QOUADOVFBYPNNH-UHFFFAOYSA-N 0 2 409.229 3.754 20 0 HHADLN O=C(Nc1ccc(F)c(N2CCCS2(=O)=O)c1)c1c(O)cc(Cl)cc1Cl ZINC000436560046 981443930 /nfs/dbraw/zinc/44/39/30/981443930.db2.gz ZWXYWGJXFJSVOV-UHFFFAOYSA-N 0 2 419.261 3.630 20 0 HHADLN CN(CCc1ccccn1)C(=O)CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436562135 981446279 /nfs/dbraw/zinc/44/62/79/981446279.db2.gz JXJNCSWCNUORDS-UHFFFAOYSA-N 0 2 423.900 3.539 20 0 HHADLN CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436566322 981448716 /nfs/dbraw/zinc/44/87/16/981448716.db2.gz PJXIIBPJDFSWTQ-IRXDYDNUSA-N 0 2 417.889 3.895 20 0 HHADLN NC(=O)COc1cccc(CNC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)c1 ZINC000436574725 981454282 /nfs/dbraw/zinc/45/42/82/981454282.db2.gz LVQDFXAMHJFHHZ-UHFFFAOYSA-N 0 2 410.857 3.507 20 0 HHADLN O=C(N[C@@H]1CCN(C(=O)c2ccccn2)C1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436575697 981454896 /nfs/dbraw/zinc/45/48/96/981454896.db2.gz JNKIQKGGCFFOCT-QGZVFWFLSA-N 0 2 421.884 3.752 20 0 HHADLN CCC(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(Br)c(F)c2)c1 ZINC000436612414 981474171 /nfs/dbraw/zinc/47/41/71/981474171.db2.gz XTFFKMRJOXCBKQ-UHFFFAOYSA-N 0 2 402.241 3.687 20 0 HHADLN COc1ccc(OCCN(C)C(=O)c2cc(Cl)cc(Br)c2O)cc1 ZINC000436625969 981481420 /nfs/dbraw/zinc/48/14/20/981481420.db2.gz GRPHKMFESIWNBK-UHFFFAOYSA-N 0 2 414.683 3.968 20 0 HHADLN Cc1noc([C@H]2CCCN(C(=O)c3cc(Cl)cc(Br)c3O)C2)n1 ZINC000436634178 981484893 /nfs/dbraw/zinc/48/48/93/981484893.db2.gz KEITVNZRBXRQGO-VIFPVBQESA-N 0 2 400.660 3.519 20 0 HHADLN CCN(CC)C(=O)COc1ccc(NC(=O)c2cc(F)c(O)c(F)c2)cc1Cl ZINC000436633833 981484978 /nfs/dbraw/zinc/48/49/78/981484978.db2.gz CMTTYYNWCWTGQP-UHFFFAOYSA-N 0 2 412.820 3.823 20 0 HHADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)[C@@H](C)C1 ZINC000436639160 981488421 /nfs/dbraw/zinc/48/84/21/981488421.db2.gz JCNBJADPOWIFCD-AWEZNQCLSA-N 0 2 406.885 3.930 20 0 HHADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)[C@@H](C)C1 ZINC000436639160 981488423 /nfs/dbraw/zinc/48/84/23/981488423.db2.gz JCNBJADPOWIFCD-AWEZNQCLSA-N 0 2 406.885 3.930 20 0 HHADLN Cc1cccc(C)c1NC(=O)CNC(=O)c1cc(Cl)cc(Br)c1O ZINC000436640584 981489114 /nfs/dbraw/zinc/48/91/14/981489114.db2.gz XSVOFAFCJYHSRO-UHFFFAOYSA-N 0 2 411.683 3.793 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCN(c2cccc(Br)c2)CC1 ZINC000436663722 981499126 /nfs/dbraw/zinc/49/91/26/981499126.db2.gz GVJJPDUPVHKRQE-UHFFFAOYSA-N 0 2 413.674 3.910 20 0 HHADLN CCc1nnc(C2CCN(C(=O)c3cc(Cl)cc(Br)c3O)CC2)[nH]1 ZINC000436673865 981505317 /nfs/dbraw/zinc/50/53/17/981505317.db2.gz PYTJIVIUKIKVBG-UHFFFAOYSA-N 0 2 413.703 3.508 20 0 HHADLN CCc1cnc(NC(=O)c2cccc(C(=O)Nc3ncc(CC)s3)c2O)s1 ZINC000436681237 981508934 /nfs/dbraw/zinc/50/89/34/981508934.db2.gz MKWBKWVJENMMFS-UHFFFAOYSA-N 0 2 402.501 3.935 20 0 HHADLN C[C@@H]1[C@H](C)N(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])CC[N@H+]1C ZINC000436715887 981527488 /nfs/dbraw/zinc/52/74/88/981527488.db2.gz ZDGRWULGEKJLOM-NEPJUHHUSA-N 0 2 407.923 3.524 20 0 HHADLN C[C@@H]1[C@H](C)N(C(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])CC[N@@H+]1C ZINC000436715887 981527491 /nfs/dbraw/zinc/52/74/91/981527491.db2.gz ZDGRWULGEKJLOM-NEPJUHHUSA-N 0 2 407.923 3.524 20 0 HHADLN C[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2O)CCN1CC(F)(F)F ZINC000436729989 981535359 /nfs/dbraw/zinc/53/53/59/981535359.db2.gz CZOGMATURWQPAX-QMMMGPOBSA-N 0 2 415.637 3.517 20 0 HHADLN CN(CC(=O)NC(c1ccccc1)c1ccccc1)C(=O)c1cc(F)c(O)c(F)c1 ZINC000436743856 981541649 /nfs/dbraw/zinc/54/16/49/981541649.db2.gz YWOTVCYYGVGDPM-UHFFFAOYSA-N 0 2 410.420 3.648 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000436747502 981543247 /nfs/dbraw/zinc/54/32/47/981543247.db2.gz MWVZXRRCUKVRDZ-UHFFFAOYSA-N 0 2 405.882 3.752 20 0 HHADLN CC(C)(C)c1nc(CN2CCN(C(=O)c3cc(F)cc(Cl)c3O)CC2)cs1 ZINC000436768150 981553558 /nfs/dbraw/zinc/55/35/58/981553558.db2.gz DLXCVEAVMOWZQZ-UHFFFAOYSA-N 0 2 411.930 3.897 20 0 HHADLN CC(C)(C)Oc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1 ZINC000436770328 981554471 /nfs/dbraw/zinc/55/44/71/981554471.db2.gz MBCGDUZODKKRGA-UHFFFAOYSA-N 0 2 418.515 3.606 20 0 HHADLN O=C(NCc1cccc(-n2cc[nH+]c2)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000436773741 981556036 /nfs/dbraw/zinc/55/60/36/981556036.db2.gz SZLCLKCWZNUBRT-UHFFFAOYSA-N 0 2 406.667 3.924 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCC(c2noc(C3CC3)n2)CC1 ZINC000436846715 981587707 /nfs/dbraw/zinc/58/77/07/981587707.db2.gz CRVAFCJVGJBWTD-UHFFFAOYSA-N 0 2 410.243 3.574 20 0 HHADLN CN(CCCc1nc2ccccc2[nH]1)C(=O)c1cc(F)cc(Br)c1O ZINC000436849864 981589439 /nfs/dbraw/zinc/58/94/39/981589439.db2.gz VOKOXWOUCRIDQX-UHFFFAOYSA-N 0 2 406.255 3.875 20 0 HHADLN Cc1csc(NC2CCN(C(=O)c3cc(F)cc(Br)c3O)CC2)n1 ZINC000436854481 981592802 /nfs/dbraw/zinc/59/28/02/981592802.db2.gz SLWKMZCHRINEBT-UHFFFAOYSA-N 0 2 414.300 3.775 20 0 HHADLN O=C(NCc1ncc(-c2ccccc2)cn1)c1cc(F)cc(Br)c1O ZINC000436854683 981592999 /nfs/dbraw/zinc/59/29/99/981592999.db2.gz TVLUZKJLLNKTOS-UHFFFAOYSA-N 0 2 402.223 3.681 20 0 HHADLN CC(=O)c1ccc(O)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)c1 ZINC000436861181 981596042 /nfs/dbraw/zinc/59/60/42/981596042.db2.gz JHRJADZQUXKRAQ-UHFFFAOYSA-N 0 2 410.451 3.648 20 0 HHADLN O=C(NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc(F)cc(Br)c1O ZINC000436862400 981596074 /nfs/dbraw/zinc/59/60/74/981596074.db2.gz HFGOQJWQXHZBGP-CLAHSXSESA-N 0 2 414.193 3.507 20 0 HHADLN O=C(NC[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1cc(F)cc(Br)c1O ZINC000436862405 981596110 /nfs/dbraw/zinc/59/61/10/981596110.db2.gz HFGOQJWQXHZBGP-RMLUDKJBSA-N 0 2 414.193 3.507 20 0 HHADLN O=C(NC[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1cc(F)cc(Br)c1O ZINC000436862412 981596174 /nfs/dbraw/zinc/59/61/74/981596174.db2.gz HFGOQJWQXHZBGP-XLKFXECMSA-N 0 2 414.193 3.507 20 0 HHADLN C[C@@H](NC(=O)c1cc(F)cc(Br)c1O)c1noc(-c2ccccc2)n1 ZINC000436862022 981596180 /nfs/dbraw/zinc/59/61/80/981596180.db2.gz GJPSNTMVZJXBHE-SECBINFHSA-N 0 2 406.211 3.835 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCOc2ccc(F)cc2C1 ZINC000436863389 981596460 /nfs/dbraw/zinc/59/64/60/981596460.db2.gz KCWLVFLOFDHXES-UHFFFAOYSA-N 0 2 400.631 3.982 20 0 HHADLN C[C@@H](CNC(=O)c1cc(F)cc(Br)c1O)c1nc(-c2ccccc2)no1 ZINC000436864976 981596607 /nfs/dbraw/zinc/59/66/07/981596607.db2.gz QFHYUPQSBTYEGX-JTQLQIEISA-N 0 2 420.238 3.877 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCC[C@@H](Oc2ncccc2F)C1 ZINC000436865788 981596914 /nfs/dbraw/zinc/59/69/14/981596914.db2.gz VKHOPJVZUAHJDT-LLVKDONJSA-N 0 2 413.218 3.512 20 0 HHADLN CCOC(=O)c1csc(C2CCN(C(=O)c3cc(F)cc(Cl)c3O)CC2)n1 ZINC000436885814 981601470 /nfs/dbraw/zinc/60/14/70/981601470.db2.gz PKXIQQWVHBVKNK-UHFFFAOYSA-N 0 2 412.870 3.838 20 0 HHADLN CCN(C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)c1ccccc1 ZINC000436908091 981613894 /nfs/dbraw/zinc/61/38/94/981613894.db2.gz HDNDIQFAGHMSAW-UHFFFAOYSA-N 0 2 410.495 3.537 20 0 HHADLN O=C(NCc1cccc(Cn2cc[nH+]c2)c1)c1cc(Cl)cc(Br)c1[O-] ZINC000436933035 981631599 /nfs/dbraw/zinc/63/15/99/981631599.db2.gz PGKKMBWTYVAJJZ-UHFFFAOYSA-N 0 2 420.694 3.983 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(O)c(-c2nc([C@@H](C)C3CC3)no2)c1 ZINC000436953086 981642982 /nfs/dbraw/zinc/64/29/82/981642982.db2.gz LJSYEDVSKBKPOA-LBPRGKRZSA-N 0 2 415.471 3.765 20 0 HHADLN O=C(Nc1cc2c(cc1Cl)OCCO2)c1cc(F)cc(Br)c1O ZINC000436996883 981675077 /nfs/dbraw/zinc/67/50/77/981675077.db2.gz DLCLMPUDNQHZFJ-UHFFFAOYSA-N 0 2 402.603 3.971 20 0 HHADLN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc(F)cc(Br)c1O ZINC000437000278 981677569 /nfs/dbraw/zinc/67/75/69/981677569.db2.gz TUPGXLQIOCBJLC-LLVKDONJSA-N 0 2 419.254 3.708 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2F)s1)c1cnc2ccsc2c1 ZINC000437169796 981824070 /nfs/dbraw/zinc/82/40/70/981824070.db2.gz VGMVEQGPTOGQSN-UHFFFAOYSA-N 0 2 406.489 3.679 20 0 HHADLN Cc1cnc2c(cccc2S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)s2)c1 ZINC000437182604 981839561 /nfs/dbraw/zinc/83/95/61/981839561.db2.gz SICIBKAXLOZGPX-UHFFFAOYSA-N 0 2 414.487 3.925 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ncc(-c3cncc(F)c3)cn2)c(Br)c1 ZINC000448545416 981874647 /nfs/dbraw/zinc/87/46/47/981874647.db2.gz ZWLODVCFYFFYQI-UHFFFAOYSA-N 0 2 423.267 3.549 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc3c(ccc4c3CCCC4)s2)cs1 ZINC000437311598 981963682 /nfs/dbraw/zinc/96/36/82/981963682.db2.gz SVXREOYUFNBDDT-UHFFFAOYSA-N 0 2 408.526 3.824 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cccc(-n3ccnc3)c2)cnn1-c1ccc(Cl)cc1 ZINC000437316474 981967998 /nfs/dbraw/zinc/96/79/98/981967998.db2.gz PQKPJJHWEHRQDG-UHFFFAOYSA-N 0 2 413.890 3.821 20 0 HHADLN Cc1ccccc1-n1nccc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000437346144 981996102 /nfs/dbraw/zinc/99/61/02/981996102.db2.gz QKFJFCSJKLMFDB-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN CC(C)n1cc(S(=O)(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)cn1 ZINC000437394891 982039578 /nfs/dbraw/zinc/03/95/78/982039578.db2.gz SYXPFEKYQPVWIN-OAHLLOKOSA-N 0 2 402.545 3.994 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2C)c1 ZINC000437401797 982045942 /nfs/dbraw/zinc/04/59/42/982045942.db2.gz CIJMUZDZFUQAPB-UHFFFAOYSA-N 0 2 419.890 3.730 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)Nc2nccs2)c(Br)c1 ZINC000437410619 982053543 /nfs/dbraw/zinc/05/35/43/982053543.db2.gz UOQVCHWHYGQLTD-UHFFFAOYSA-N 0 2 412.128 3.777 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cccc(CC)c2)nc1C(F)(F)F ZINC000460523021 982310859 /nfs/dbraw/zinc/31/08/59/982310859.db2.gz JSVVJOYODWUJCY-UHFFFAOYSA-N 0 2 408.423 3.702 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)c(F)c2)o1)c1ccccc1Br ZINC000460549029 982334821 /nfs/dbraw/zinc/33/48/21/982334821.db2.gz UUYAVHJRQSAWGU-UHFFFAOYSA-N 0 2 416.203 3.578 20 0 HHADLN C[C@H](CNC(=O)N=c1nc(C(C)(C)C)[nH]s1)Oc1ccc(Br)cc1 ZINC000438001607 982517377 /nfs/dbraw/zinc/51/73/77/982517377.db2.gz RTKZZWSXLLAEKR-SNVBAGLBSA-N 0 2 413.341 3.609 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3ccc(OC4CCCC4)c(F)c3)c(F)cc2N1 ZINC000460830343 982580898 /nfs/dbraw/zinc/58/08/98/982580898.db2.gz QTUTVLZMQQIMQZ-UHFFFAOYSA-N 0 2 422.453 3.972 20 0 HHADLN CCOCCOc1ccc(Cl)cc1NS(=O)(=O)CCOc1ccc(F)cc1 ZINC000460839880 982588336 /nfs/dbraw/zinc/58/83/36/982588336.db2.gz NWRKGUPPNJBMLY-UHFFFAOYSA-N 0 2 417.886 3.715 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)cc1 ZINC000460842349 982590382 /nfs/dbraw/zinc/59/03/82/982590382.db2.gz YTUBPRGLFYXQQO-NRFANRHFSA-N 0 2 424.526 3.592 20 0 HHADLN C[C@@H]1CN(C(=O)c2cc(Cl)cc(Br)c2O)C[C@]2(CCO[C@H](C)C2)O1 ZINC000438189913 982642369 /nfs/dbraw/zinc/64/23/69/982642369.db2.gz MYPJRXCPXYYTHI-CZIZLABSSA-N 0 2 418.715 3.607 20 0 HHADLN O=S(=O)(Nc1ccc2nnc(C3CCC3)n2c1)c1ccc(C(F)(F)F)s1 ZINC000461113749 982804016 /nfs/dbraw/zinc/80/40/16/982804016.db2.gz QMJOYOQQPQPDEV-UHFFFAOYSA-N 0 2 402.423 3.878 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2c(C)c(C(F)(F)F)nn2C)c(Cl)c1Cl ZINC000461122983 982820120 /nfs/dbraw/zinc/82/01/20/982820120.db2.gz JRSJFWVXTCWOJU-UHFFFAOYSA-N 0 2 418.224 3.864 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN4CCO[C@H](c5ccco5)C4)nc(=O)c3s2)cc1 ZINC000438554419 982895432 /nfs/dbraw/zinc/89/54/32/982895432.db2.gz OLCQDNQQNLNSOH-SFHVURJKSA-N 0 2 423.494 3.827 20 0 HHADLN COCc1cccc(S(=O)(=O)Nc2cccc(-c3cc(OC)cc(OC)c3)n2)c1 ZINC000461207631 982921306 /nfs/dbraw/zinc/92/13/06/982921306.db2.gz DJTPJUFVQPGZSE-UHFFFAOYSA-N 0 2 414.483 3.713 20 0 HHADLN O=S(=O)(Nc1cccc(C2CCC2)c1)c1ccccc1S(=O)(=O)N1CCCC1 ZINC000461338552 983026975 /nfs/dbraw/zinc/02/69/75/983026975.db2.gz LVOFEVJAANIJBW-UHFFFAOYSA-N 0 2 420.556 3.539 20 0 HHADLN CC(C)(C)c1nc2ccc(NS(=O)(=O)c3ccccc3S(C)(=O)=O)cc2s1 ZINC000438779140 983066165 /nfs/dbraw/zinc/06/61/65/983066165.db2.gz SSVZSSGRLMBPMU-UHFFFAOYSA-N 0 2 424.569 3.798 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cccc(OC(F)(F)F)c2)cn1 ZINC000438789368 983071534 /nfs/dbraw/zinc/07/15/34/983071534.db2.gz WWZBRTCAYAXNSQ-UHFFFAOYSA-N 0 2 413.377 3.580 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1cn[nH]c1)c1cc(Br)cc2c1OCC2 ZINC000438817717 983091175 /nfs/dbraw/zinc/09/11/75/983091175.db2.gz FWBBQRORXVVBJK-UHFFFAOYSA-N 0 2 420.288 3.575 20 0 HHADLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc(CC(C)C)cc2)sc1C(C)=O ZINC000438992484 983198880 /nfs/dbraw/zinc/19/88/80/983198880.db2.gz RPMBTCVJROUPEG-UHFFFAOYSA-N 0 2 410.517 3.522 20 0 HHADLN Cc1ccc(C(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000439043677 983224937 /nfs/dbraw/zinc/22/49/37/983224937.db2.gz RMZPVFPAORRAOU-UHFFFAOYSA-N 0 2 422.572 3.627 20 0 HHADLN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)C1 ZINC000439395337 983392278 /nfs/dbraw/zinc/39/22/78/983392278.db2.gz LBWHNFIHUHYXKB-MSOLQXFVSA-N 0 2 412.534 3.515 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cnccc2-c2cccc(F)c2)c(C)c1 ZINC000439871413 983563514 /nfs/dbraw/zinc/56/35/14/983563514.db2.gz JWELHMNVBHYLOR-UHFFFAOYSA-N 0 2 400.431 3.784 20 0 HHADLN O=S(=O)(Nc1cnccc1-c1cccc(F)c1)c1cncc(Br)c1 ZINC000439875146 983565056 /nfs/dbraw/zinc/56/50/56/983565056.db2.gz YUBQLXQKMXRMAM-UHFFFAOYSA-N 0 2 408.252 3.846 20 0 HHADLN CN(C)C(=O)COc1cccc(NS(=O)(=O)c2c(Cl)ccc3ccccc32)c1 ZINC000440295700 983709606 /nfs/dbraw/zinc/70/96/06/983709606.db2.gz RDIPGXHCXJTYGH-UHFFFAOYSA-N 0 2 418.902 3.761 20 0 HHADLN CCOC(=O)c1cc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cn1C ZINC000440486026 983773704 /nfs/dbraw/zinc/77/37/04/983773704.db2.gz XVSKTHUIMGTXNO-UHFFFAOYSA-N 0 2 417.263 3.607 20 0 HHADLN O=S(=O)(Nc1nc(/C=C/c2ccccc2)cs1)c1cnn(C2CCOCC2)c1 ZINC000441378176 984218992 /nfs/dbraw/zinc/21/89/92/984218992.db2.gz MHXKROZFEYTDOI-VOTSOKGWSA-N 0 2 416.528 3.662 20 0 HHADLN CCCCCc1nnc(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)s1 ZINC000441380500 984220263 /nfs/dbraw/zinc/22/02/63/984220263.db2.gz GESQRPUUWAQUOD-UHFFFAOYSA-N 0 2 403.913 3.512 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000442330171 984833011 /nfs/dbraw/zinc/83/30/11/984833011.db2.gz WFWCPDCGDPONNF-UHFFFAOYSA-N 0 2 415.496 3.605 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2c(C)c(C(C)(C)C)nn2-c2ccccc2)cn1 ZINC000442605151 985087060 /nfs/dbraw/zinc/08/70/60/985087060.db2.gz ZGWLPNCAXPDPNY-UHFFFAOYSA-N 0 2 400.504 3.683 20 0 HHADLN Cc1nc(-c2ccccc2)c(NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)s1 ZINC000442604984 985087179 /nfs/dbraw/zinc/08/71/79/985087179.db2.gz KHTOWZQUTONQAA-UHFFFAOYSA-N 0 2 401.513 3.621 20 0 HHADLN COc1ccc(-c2n[nH]c(NC(=O)c3cc(-c4ccccc4)ns3)n2)c(OC)c1 ZINC000462121254 985091289 /nfs/dbraw/zinc/09/12/89/985091289.db2.gz NBOXLBHGGHPUIQ-UHFFFAOYSA-N 0 2 407.455 3.865 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(C)c(Cc3c(F)cccc3F)s2)cn1 ZINC000442618898 985095065 /nfs/dbraw/zinc/09/50/65/985095065.db2.gz LCIMQRUSXVZBRW-UHFFFAOYSA-N 0 2 411.455 3.525 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1Br ZINC000442811061 985223104 /nfs/dbraw/zinc/22/31/04/985223104.db2.gz BUEKIVMHYMCPGB-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN CC[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)c(C)c1 ZINC000442827481 985230847 /nfs/dbraw/zinc/23/08/47/985230847.db2.gz PRJNJPSPNPPJPM-GFCCVEGCSA-N 0 2 415.437 3.738 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)cc1-c1ccccc1)c1cnn([C@@H]2CCOC2)c1 ZINC000442843711 985242564 /nfs/dbraw/zinc/24/25/64/985242564.db2.gz TYZOQCZGHGQKGN-MRXNPFEDSA-N 0 2 403.891 3.966 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)Cc2ccc(C)s2)c(F)c1Cl ZINC000462347709 985337120 /nfs/dbraw/zinc/33/71/20/985337120.db2.gz RSBQLFWNWPYDAD-MRVPVSSYSA-N 0 2 422.906 3.856 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCCOC2CCCCCC2)c(F)c1Cl ZINC000462355056 985344043 /nfs/dbraw/zinc/34/40/43/985344043.db2.gz FCHIFGGWSZDGAL-UHFFFAOYSA-N 0 2 424.897 3.594 20 0 HHADLN CC[C@H]1CCc2nc(NS(=O)(=O)c3c(C)csc3C(=O)OC)sc2C1 ZINC000443137565 985399438 /nfs/dbraw/zinc/39/94/38/985399438.db2.gz VDYPIDQMGACKTN-JTQLQIEISA-N 0 2 400.547 3.615 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc2c(cc(F)c(F)c2F)s1 ZINC000443145587 985405631 /nfs/dbraw/zinc/40/56/31/985405631.db2.gz RWUDCPIXXOMOCJ-UHFFFAOYSA-N 0 2 422.431 3.671 20 0 HHADLN COCc1cccc2sc(NS(=O)(=O)c3cnccc3C(F)(F)F)nc21 ZINC000443148859 985408117 /nfs/dbraw/zinc/40/81/17/985408117.db2.gz UWNHHICTASNESJ-UHFFFAOYSA-N 0 2 403.407 3.657 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc2cc(Cl)ccc2s1 ZINC000443154745 985413433 /nfs/dbraw/zinc/41/34/33/985413433.db2.gz HJIFXUIVVBZVAF-UHFFFAOYSA-N 0 2 402.906 3.907 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c(F)c1Cl ZINC000462469637 985427527 /nfs/dbraw/zinc/42/75/27/985427527.db2.gz CCYVHCSHSXAQSL-CQSZACIVSA-N 0 2 414.861 3.933 20 0 HHADLN CC(C)NC(=O)Nc1ccccc1NS(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000443402606 985557071 /nfs/dbraw/zinc/55/70/71/985557071.db2.gz HLQPRYRYFBTZLO-UHFFFAOYSA-N 0 2 403.504 3.731 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cccc(-c3nc(C)cs3)c2)c(OC)c1 ZINC000443413606 985569044 /nfs/dbraw/zinc/56/90/44/985569044.db2.gz MRVQXWDNROYORE-UHFFFAOYSA-N 0 2 418.496 3.715 20 0 HHADLN O=S(=O)(Nc1nc2c(ccc(Cl)c2Cl)s1)c1cnn([C@H]2CCOC2)c1 ZINC000443415526 985572219 /nfs/dbraw/zinc/57/22/19/985572219.db2.gz LCMBHEDWHCOROE-QMMMGPOBSA-N 0 2 419.315 3.562 20 0 HHADLN CC(C)c1cccnc1NS(=O)(=O)c1cccc(I)c1 ZINC000443422027 985578982 /nfs/dbraw/zinc/57/89/82/985578982.db2.gz ZYDOLCFTJAXMIO-UHFFFAOYSA-N 0 2 402.257 3.610 20 0 HHADLN Cn1cc(S(=O)(=O)Nc2ccc(Oc3nncc4ccccc43)c(Cl)c2)cn1 ZINC000443452156 985619979 /nfs/dbraw/zinc/61/99/79/985619979.db2.gz FAJLXKDQBIPGGY-UHFFFAOYSA-N 0 2 415.862 3.610 20 0 HHADLN O=S(=O)(Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1)c1cn[nH]c1 ZINC000443452632 985621541 /nfs/dbraw/zinc/62/15/41/985621541.db2.gz FJCMPCUREOODPV-UHFFFAOYSA-N 0 2 401.835 3.599 20 0 HHADLN COCCn1cc(S(=O)(=O)Nc2ccccc2N[C@H](C)c2ccccc2)cn1 ZINC000443533260 985705081 /nfs/dbraw/zinc/70/50/81/985705081.db2.gz VMAQUHHLDPNVRI-MRXNPFEDSA-N 0 2 400.504 3.503 20 0 HHADLN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccccc1F ZINC000443582975 985757465 /nfs/dbraw/zinc/75/74/65/985757465.db2.gz OJAFKLDNLVQORT-GFCCVEGCSA-N 0 2 405.476 3.825 20 0 HHADLN CCn1nc(C(C)C)cc1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443585886 985760567 /nfs/dbraw/zinc/76/05/67/985760567.db2.gz YBVCGSLVLXFXOX-UHFFFAOYSA-N 0 2 419.532 3.536 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccc(F)c(F)c1F ZINC000443587107 985763346 /nfs/dbraw/zinc/76/33/46/985763346.db2.gz CIHUFYFNQGGQFI-UHFFFAOYSA-N 0 2 413.402 3.614 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2ncc(C)o2)c1 ZINC000468345757 986042132 /nfs/dbraw/zinc/04/21/32/986042132.db2.gz KAKFALQSEUBBQQ-UHFFFAOYSA-N 0 2 406.435 3.615 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2ncon2)cc1 ZINC000468378800 986077968 /nfs/dbraw/zinc/07/79/68/986077968.db2.gz HQAAEUHJQZSHFN-LBPRGKRZSA-N 0 2 423.878 3.605 20 0 HHADLN CC(=O)Nc1ccc(CC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cc1 ZINC000463158617 986130533 /nfs/dbraw/zinc/13/05/33/986130533.db2.gz DQSBTSQOSCOMCJ-UHFFFAOYSA-N 0 2 404.257 3.918 20 0 HHADLN Cc1cc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c2cnn(C)c2n1 ZINC000463161085 986133563 /nfs/dbraw/zinc/13/35/63/986133563.db2.gz HFMNHKMXDUMTJK-UHFFFAOYSA-N 0 2 402.245 3.621 20 0 HHADLN Cc1nn(C)c2ncc(C(=O)Nc3nc(-c4cc(Cl)ccc4Cl)n[nH]3)cc12 ZINC000463163263 986135183 /nfs/dbraw/zinc/13/51/83/986135183.db2.gz CMIUQKZMCDXBGM-UHFFFAOYSA-N 0 2 402.245 3.621 20 0 HHADLN Cc1nn(C)c2nc(C)c(C(=O)Nc3nc(-c4cc(Cl)ccc4Cl)n[nH]3)cc12 ZINC000463167761 986139619 /nfs/dbraw/zinc/13/96/19/986139619.db2.gz FSWWLFMSFWRRIN-UHFFFAOYSA-N 0 2 416.272 3.929 20 0 HHADLN CC[C@@H](C)[C@@H](NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(F)(F)F ZINC000443946044 986153026 /nfs/dbraw/zinc/15/30/26/986153026.db2.gz XMMPJUIUAMANPI-FUXBKTLASA-N 0 2 404.813 3.693 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2nccs2)cc1 ZINC000468530255 986234982 /nfs/dbraw/zinc/23/49/82/986234982.db2.gz JDZRSSCZZONIPS-UHFFFAOYSA-N 0 2 408.476 3.775 20 0 HHADLN Cc1ccc(Cn2nccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)o1 ZINC000444052697 986251862 /nfs/dbraw/zinc/25/18/62/986251862.db2.gz ZRTCHTOKJBYHCJ-UHFFFAOYSA-N 0 2 403.357 3.792 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3ccc(Br)c(C)c3)o2)c(C)o1 ZINC000444056278 986256882 /nfs/dbraw/zinc/25/68/82/986256882.db2.gz JYVKOKYSWWIIMT-UHFFFAOYSA-N 0 2 412.265 3.818 20 0 HHADLN C[C@@H]1CN(c2ccccc2NS(=O)(=O)c2cnc(-c3ccccc3)nc2)C[C@H](C)O1 ZINC000444056627 986257139 /nfs/dbraw/zinc/25/71/39/986257139.db2.gz QXOVOEQVLSLPAT-CALCHBBNSA-N 0 2 424.526 3.558 20 0 HHADLN O=C(C1=NN(c2ccccc2)CC1=O)N(CCCOc1ccccc1)C1CCOCC1 ZINC000468598432 986309942 /nfs/dbraw/zinc/30/99/42/986309942.db2.gz RGZNGLZWNWHKGP-UHFFFAOYSA-N 0 2 421.497 3.668 20 0 HHADLN O=C(NC1CCN(c2nc3ccccc3s2)CC1)C1=NN(c2ccccc2)CC1=O ZINC000468615306 986330363 /nfs/dbraw/zinc/33/03/63/986330363.db2.gz MCHLCJRCULEUTE-UHFFFAOYSA-N 0 2 419.510 3.586 20 0 HHADLN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)s1 ZINC000444184418 986362834 /nfs/dbraw/zinc/36/28/34/986362834.db2.gz GUCGGNSYLIVUGD-UHFFFAOYSA-N 0 2 423.829 3.710 20 0 HHADLN COc1ccc(-c2nsc(NS(=O)(=O)c3ccc(C)c(Cl)c3)n2)cc1F ZINC000444194519 986372890 /nfs/dbraw/zinc/37/28/90/986372890.db2.gz MOGPUFFNYPBFDB-UHFFFAOYSA-N 0 2 413.883 3.537 20 0 HHADLN Cn1cc(NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)c(C(F)(F)F)n1 ZINC000463429586 986400787 /nfs/dbraw/zinc/40/07/87/986400787.db2.gz JEFHNFDOQSAEAE-UHFFFAOYSA-N 0 2 411.405 3.819 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@H](c2ccccc2)c2ccncc2)=N1 ZINC000468736252 986450114 /nfs/dbraw/zinc/45/01/14/986450114.db2.gz VRKUCEATSYEDGC-OAQYLSRUSA-N 0 2 402.429 3.940 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)=N1 ZINC000468736762 986450122 /nfs/dbraw/zinc/45/01/22/986450122.db2.gz WOCZJJWIIKAWCT-UHFFFAOYSA-N 0 2 422.460 3.516 20 0 HHADLN Cn1cc(-c2[nH]ncc2C(=O)NCCSCc2ccc(Cl)cc2Cl)cn1 ZINC000444288542 986476148 /nfs/dbraw/zinc/47/61/48/986476148.db2.gz LIFTUAXLGANMBH-UHFFFAOYSA-N 0 2 410.330 3.780 20 0 HHADLN COC(=O)c1cc(C)nc2nc(NS(=O)(=O)c3ccccc3C(C)C)sc21 ZINC000468912604 986620028 /nfs/dbraw/zinc/62/00/28/986620028.db2.gz LFORBMMQTKWZPS-UHFFFAOYSA-N 0 2 405.501 3.711 20 0 HHADLN Cc1ccc(F)c(CN(C)C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000444447002 986632827 /nfs/dbraw/zinc/63/28/27/986632827.db2.gz UWFZVBPHYVDTKV-UHFFFAOYSA-N 0 2 419.503 3.664 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(CCC(C)C)n[nH]2)cc1Br ZINC000468976309 986680839 /nfs/dbraw/zinc/68/08/39/986680839.db2.gz PFBFTINVYGADPC-UHFFFAOYSA-N 0 2 402.314 3.570 20 0 HHADLN COCCc1ccc(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)cc1 ZINC000469036683 986746722 /nfs/dbraw/zinc/74/67/22/986746722.db2.gz SGKCTPANAKIEMX-UHFFFAOYSA-N 0 2 415.496 3.941 20 0 HHADLN COc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)NC(=O)CC2 ZINC000463787594 986778798 /nfs/dbraw/zinc/77/87/98/986778798.db2.gz GLQLKEMEYYKXCO-UHFFFAOYSA-N 0 2 401.271 3.688 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)c2ncccc12 ZINC000463793239 986785347 /nfs/dbraw/zinc/78/53/47/986785347.db2.gz IICCYWJUAXEICM-UHFFFAOYSA-N 0 2 417.874 3.582 20 0 HHADLN CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C1 ZINC000445107654 987213071 /nfs/dbraw/zinc/21/30/71/987213071.db2.gz DWAVPEPXIVETNL-IBGZPJMESA-N 0 2 422.938 3.724 20 0 HHADLN Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N=c2[n-]nc(-c3c(F)cccc3Cl)s2)C1 ZINC000445178963 987262124 /nfs/dbraw/zinc/26/21/24/987262124.db2.gz VBAPVDCXUVHGFH-LLVKDONJSA-N 0 2 420.901 3.565 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)NCc3cc(=O)[nH]c4ccccc34)=N2)c1 ZINC000469722530 987374749 /nfs/dbraw/zinc/37/47/49/987374749.db2.gz CAIUBWGNPROGNX-UHFFFAOYSA-N 0 2 402.454 3.885 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2ccnn2CC(C)C)cc1Br ZINC000469987904 987604064 /nfs/dbraw/zinc/60/40/64/987604064.db2.gz YAMVQMBGAGDALF-UHFFFAOYSA-N 0 2 402.314 3.501 20 0 HHADLN Cn1nc(-c2ccncc2)cc1NC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000463900465 988009106 /nfs/dbraw/zinc/00/91/06/988009106.db2.gz YHTADLOOMLAYCS-UHFFFAOYSA-N 0 2 423.274 3.887 20 0 HHADLN COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2O[C@H]2CCOC2)cc1Cl ZINC000470449518 988428703 /nfs/dbraw/zinc/42/87/03/988428703.db2.gz IRVWGLPKTJYOJC-NSHDSACASA-N 0 2 418.298 3.971 20 0 HHADLN Cn1cc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc(C3CCC3)cc2)cn1 ZINC000470509485 988507122 /nfs/dbraw/zinc/50/71/22/988507122.db2.gz MZHGKAQRGAOYGN-UHFFFAOYSA-N 0 2 416.528 3.802 20 0 HHADLN CCc1nc(NS(=O)(=O)c2ccc(SC)c(Cl)c2)sc1C(=O)OC ZINC000464417140 988588025 /nfs/dbraw/zinc/58/80/25/988588025.db2.gz MWIKLJBLSVYEOI-UHFFFAOYSA-N 0 2 406.938 3.668 20 0 HHADLN CCC1(CC)CCCN(C(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)CC1 ZINC000470650273 988666100 /nfs/dbraw/zinc/66/61/00/988666100.db2.gz CBGXOGVSFWJCIO-UHFFFAOYSA-N 0 2 424.592 3.715 20 0 HHADLN CCOc1c(Cl)cc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)cc1Cl ZINC000464529754 988707884 /nfs/dbraw/zinc/70/78/84/988707884.db2.gz RBDWPTKQXYXLMQ-UHFFFAOYSA-N 0 2 420.318 3.741 20 0 HHADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1cccc2c1OCCC2 ZINC000464542314 988719859 /nfs/dbraw/zinc/71/98/59/988719859.db2.gz GQSYTTMHDUTGND-UHFFFAOYSA-N 0 2 412.305 3.892 20 0 HHADLN Cn1cc(-c2nc3ccccn3c2NS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1 ZINC000464909433 989185317 /nfs/dbraw/zinc/18/53/17/989185317.db2.gz XPIMNUNUUHCQPX-UHFFFAOYSA-N 0 2 421.404 3.554 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2nc3c(ccc(F)c3C)s2)cc1OC ZINC000464912269 989189893 /nfs/dbraw/zinc/18/98/93/989189893.db2.gz VINFXKLNNHHQSC-UHFFFAOYSA-N 0 2 400.428 3.701 20 0 HHADLN CC[C@H]1CN(C(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)CCS1 ZINC000464933604 989219216 /nfs/dbraw/zinc/21/92/16/989219216.db2.gz HKWOOQFQWIXDQE-HNNXBMFYSA-N 0 2 410.586 3.825 20 0 HHADLN Cc1c2cc(F)ccc2oc1S(=O)(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000471494843 989692150 /nfs/dbraw/zinc/69/21/50/989692150.db2.gz FPHONJVBGMUBBI-UHFFFAOYSA-N 0 2 420.853 3.974 20 0 HHADLN CCC(C)(C)c1ccc(S(=O)(=O)Nc2nnc(CCCC(=O)OC)s2)cc1 ZINC000471502594 989700556 /nfs/dbraw/zinc/70/05/56/989700556.db2.gz BCKKQQKIZKVYQY-UHFFFAOYSA-N 0 2 411.549 3.522 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2cccc(C(=O)OC)c2)s1)c1ccccc1 ZINC000471505319 989703026 /nfs/dbraw/zinc/70/30/26/989703026.db2.gz BYVJIIDENLHUPP-INIZCTEOSA-N 0 2 417.512 3.667 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3cnc4ccsc4c3)s2)c1 ZINC000471519195 989718557 /nfs/dbraw/zinc/71/85/57/989718557.db2.gz FFTZSBBGGRGUFW-UHFFFAOYSA-N 0 2 418.525 3.548 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1-n1nc(C)cc1C ZINC000471905770 990074048 /nfs/dbraw/zinc/07/40/48/990074048.db2.gz DWHXXJSWGKWQNX-UHFFFAOYSA-N 0 2 413.425 3.525 20 0 HHADLN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2ncc(-c3ccccc3)s2)c1 ZINC000471912790 990080485 /nfs/dbraw/zinc/08/04/85/990080485.db2.gz XNTQDYRIKJPRTG-UHFFFAOYSA-N 0 2 406.460 3.845 20 0 HHADLN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000471918769 990086018 /nfs/dbraw/zinc/08/60/18/990086018.db2.gz NBFDGABACNKXDU-UHFFFAOYSA-N 0 2 417.462 3.524 20 0 HHADLN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)c1 ZINC000471925620 990092132 /nfs/dbraw/zinc/09/21/32/990092132.db2.gz UNDBWDDDLWRHHU-UHFFFAOYSA-N 0 2 416.402 3.609 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1cc(F)c(Br)cc1C ZINC000471993472 990160914 /nfs/dbraw/zinc/16/09/14/990160914.db2.gz UJJLVKQTNREVAH-UHFFFAOYSA-N 0 2 408.270 3.546 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3cc(-c4ccccc4C)n[nH]3)cc2F)c1 ZINC000466281567 991528069 /nfs/dbraw/zinc/52/80/69/991528069.db2.gz STRQABRNTDEFMM-UHFFFAOYSA-N 0 2 411.462 3.819 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N(C)CCC2CCOCC2)cc1 ZINC000466856679 992175534 /nfs/dbraw/zinc/17/55/34/992175534.db2.gz YFOUHTXCWGCKEB-UHFFFAOYSA-N 0 2 422.572 3.746 20 0 HHADLN CC(C)(C)c1csc(NS(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)n1 ZINC000467018038 992325740 /nfs/dbraw/zinc/32/57/40/992325740.db2.gz CLYZDPKRWDMDBQ-LBPRGKRZSA-N 0 2 414.524 3.796 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2Oc2ccc(C)cc2)cn1C ZINC000467075898 992381621 /nfs/dbraw/zinc/38/16/21/992381621.db2.gz QTTDZPGEHMWGIQ-UHFFFAOYSA-N 0 2 400.456 3.713 20 0 HHADLN CCOCCOCc1cccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c1C ZINC000467084208 992391217 /nfs/dbraw/zinc/39/12/17/992391217.db2.gz ZRHFMMYLACSNCJ-UHFFFAOYSA-N 0 2 415.515 3.535 20 0 HHADLN CC(=O)Nc1ccc(Cl)c(NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000467159546 992478394 /nfs/dbraw/zinc/47/83/94/992478394.db2.gz PPEPFFOUQCFZRM-UHFFFAOYSA-N 0 2 405.867 3.673 20 0 HHADLN Cc1cnn(-c2ccc(NC(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)cc2F)c1 ZINC000467382059 992697322 /nfs/dbraw/zinc/69/73/22/992697322.db2.gz NKUCWAAFZBWKGT-UHFFFAOYSA-N 0 2 412.450 3.694 20 0 HHADLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1sc(-c2ccccc2)nc1-c1ccccc1 ZINC000467466766 992759834 /nfs/dbraw/zinc/75/98/34/992759834.db2.gz FLGJXEASZMAUBI-UHFFFAOYSA-N 0 2 405.483 3.663 20 0 HHADLN O=S(=O)(NCc1nnc(COc2ccccc2)[nH]1)c1ccccc1-c1ccccc1 ZINC000472695676 993616730 /nfs/dbraw/zinc/61/67/30/993616730.db2.gz ZPNYHWQKKQKIOV-UHFFFAOYSA-N 0 2 420.494 3.529 20 0 HHADLN O=S(=O)(Cc1ccc(Cl)c(F)c1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000480919800 993773778 /nfs/dbraw/zinc/77/37/78/993773778.db2.gz HSHIMWSAGZCCBW-QGZVFWFLSA-N 0 2 420.897 3.931 20 0 HHADLN O=S(=O)(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1cccc(C(F)(F)F)c1 ZINC000481022291 993865117 /nfs/dbraw/zinc/86/51/17/993865117.db2.gz LCNODYCJAWHGRE-UHFFFAOYSA-N 0 2 416.812 3.799 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1cc(Br)c(F)cc1C ZINC000473442672 994291825 /nfs/dbraw/zinc/29/18/25/994291825.db2.gz QZUUUPGAGUKJTM-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccccc1N1CCCCC1 ZINC000473495191 994340058 /nfs/dbraw/zinc/34/00/58/994340058.db2.gz KBYCFWWXLPDMPV-UHFFFAOYSA-N 0 2 406.490 3.696 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccccc2CCC(F)(F)F)cnn1-c1ccccn1 ZINC000481613659 994470206 /nfs/dbraw/zinc/47/02/06/994470206.db2.gz PDLKSDZGIAQYAC-UHFFFAOYSA-N 0 2 410.421 3.871 20 0 HHADLN COc1cc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)ccc1Br ZINC000473756406 994665897 /nfs/dbraw/zinc/66/58/97/994665897.db2.gz MSBSSUAKOFHVIV-UHFFFAOYSA-N 0 2 417.228 3.734 20 0 HHADLN CN1C(=O)c2cccc3c2c1ccc3S(=O)(=O)Nc1ncc(C(F)(F)F)s1 ZINC000473757454 994667958 /nfs/dbraw/zinc/66/79/58/994667958.db2.gz SJQZERDXEAWNCJ-UHFFFAOYSA-N 0 2 413.402 3.706 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(CCC(C)C)n[nH]2)c(Br)c1 ZINC000481840428 994694528 /nfs/dbraw/zinc/69/45/28/994694528.db2.gz FBCLLSUPUMZMKS-UHFFFAOYSA-N 0 2 402.314 3.570 20 0 HHADLN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3nnc(CC(C)(C)C)o3)ccc2s1 ZINC000481845666 994700212 /nfs/dbraw/zinc/70/02/12/994700212.db2.gz VZLXJDGSBBKDII-UHFFFAOYSA-N 0 2 423.516 3.850 20 0 HHADLN CCOc1ccc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)c2ncccc12 ZINC000473780247 994702858 /nfs/dbraw/zinc/70/28/58/994702858.db2.gz ADBVNAOJLPLEAA-UHFFFAOYSA-N 0 2 418.457 3.652 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1nnc(-c2cc(F)ccc2C)s1 ZINC000481862754 994722037 /nfs/dbraw/zinc/72/20/37/994722037.db2.gz WHGSCXLXAWRUFF-UHFFFAOYSA-N 0 2 423.539 3.923 20 0 HHADLN Cc1ccc(-c2noc([C@@H](C)NC(=O)N=c3nc(C(C)(C)C)[nH]s3)n2)cc1F ZINC000473798026 994722821 /nfs/dbraw/zinc/72/28/21/994722821.db2.gz CFMVKHHKLRXNRT-SNVBAGLBSA-N 0 2 404.471 3.638 20 0 HHADLN Cc1cc2sc(NS(=O)(=O)c3cnn(Cc4ccccc4)c3)nc2cc1F ZINC000481871643 994734495 /nfs/dbraw/zinc/73/44/95/994734495.db2.gz HMORFAPZSIZCKG-UHFFFAOYSA-N 0 2 402.476 3.789 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)o2)c1 ZINC000481873213 994737991 /nfs/dbraw/zinc/73/79/91/994737991.db2.gz VGOXMTBJIMSAKP-UHFFFAOYSA-N 0 2 401.488 3.767 20 0 HHADLN Cc1cc2sc(NS(=O)(=O)c3cncc(Br)c3)nc2cc1F ZINC000481881570 994745804 /nfs/dbraw/zinc/74/58/04/994745804.db2.gz IZIDNKYSBXVRLJ-UHFFFAOYSA-N 0 2 402.270 3.702 20 0 HHADLN CCc1nc(C)c(NS(=O)(=O)c2cc(OC)c(OC)cc2Br)s1 ZINC000481883649 994748789 /nfs/dbraw/zinc/74/87/89/994748789.db2.gz KQFWKRGKVSFHSF-UHFFFAOYSA-N 0 2 421.338 3.594 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2c(C)ccc3cccnc32)nc1C(C)(C)C ZINC000481897416 994767907 /nfs/dbraw/zinc/76/79/07/994767907.db2.gz LCYIWYXXJYZCGG-UHFFFAOYSA-N 0 2 419.528 3.885 20 0 HHADLN O=S(=O)(Nc1ccc2nc(C(F)F)[nH]c2c1)c1ccc(OCC(F)(F)F)nc1 ZINC000481940613 994817139 /nfs/dbraw/zinc/81/71/39/994817139.db2.gz FWVACXGTPQPZKK-UHFFFAOYSA-N 0 2 422.335 3.637 20 0 HHADLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)s1 ZINC000481944052 994821618 /nfs/dbraw/zinc/82/16/18/994821618.db2.gz OXXCONYRAAMFMI-UHFFFAOYSA-N 0 2 410.443 3.579 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NC1CCC(c2ccccc2)CC1 ZINC000473893009 994847507 /nfs/dbraw/zinc/84/75/07/994847507.db2.gz ZCDIKFNPCHIAFN-UHFFFAOYSA-N 0 2 405.502 3.909 20 0 HHADLN O=S(=O)(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccc2c(c1)OCO2 ZINC000481988152 994888259 /nfs/dbraw/zinc/88/82/59/994888259.db2.gz KCLQQYPRNZTTIF-UHFFFAOYSA-N 0 2 408.888 3.917 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cc(Br)c(C)cc2Br)oc1C ZINC000481992827 994894538 /nfs/dbraw/zinc/89/45/38/994894538.db2.gz VLOOFFUOOLIZAT-UHFFFAOYSA-N 0 2 424.114 3.926 20 0 HHADLN CN(Cc1ccc(Cl)c(F)c1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474077924 995062968 /nfs/dbraw/zinc/06/29/68/995062968.db2.gz DVKRACWPRFTWNP-UHFFFAOYSA-N 0 2 403.845 3.518 20 0 HHADLN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474078184 995063710 /nfs/dbraw/zinc/06/37/10/995063710.db2.gz YDYPSKKMXBAAEK-IBGZPJMESA-N 0 2 407.518 3.855 20 0 HHADLN CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474079447 995064679 /nfs/dbraw/zinc/06/46/79/995064679.db2.gz IQDUDVWSTJNLHE-UHFFFAOYSA-N 0 2 419.407 3.744 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CC=C(c2ccc(F)cc2)CC1 ZINC000474080218 995064798 /nfs/dbraw/zinc/06/47/98/995064798.db2.gz MVTRQIPZWFQKHT-UHFFFAOYSA-N 0 2 407.449 3.522 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCc2c1cccc2C(F)(F)F ZINC000474082126 995066273 /nfs/dbraw/zinc/06/62/73/995066273.db2.gz RJMLOFYBDVDKFA-UHFFFAOYSA-N 0 2 417.391 3.675 20 0 HHADLN C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474086592 995068891 /nfs/dbraw/zinc/06/88/91/995068891.db2.gz BCJZNJUERYUFTA-MJGOQNOKSA-N 0 2 405.502 3.546 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCC[C@@H]1/C=C\c1ccccc1 ZINC000474088165 995070817 /nfs/dbraw/zinc/07/08/17/995070817.db2.gz HIEXDLUDSVKYCZ-FNDLEWIFSA-N 0 2 403.486 3.771 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N(Cc1ccco1)Cc1ccccc1 ZINC000474091297 995073469 /nfs/dbraw/zinc/07/34/69/995073469.db2.gz WMFOAKUZCUZYGV-UHFFFAOYSA-N 0 2 417.469 3.889 20 0 HHADLN C[C@@H]1CCN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)[C@@H]1c1cccc(F)c1 ZINC000474090859 995073634 /nfs/dbraw/zinc/07/36/34/995073634.db2.gz UVLDVTNUICTLKI-VFNWGFHPSA-N 0 2 409.465 3.816 20 0 HHADLN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474091747 995074585 /nfs/dbraw/zinc/07/45/85/995074585.db2.gz XYYGOVAEUOCRFS-AWEZNQCLSA-N 0 2 422.514 3.896 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cnc(-c4ccccc4)nc3C)s[nH]2)c1 ZINC000482187504 995159523 /nfs/dbraw/zinc/15/95/23/995159523.db2.gz ZUBQGFHIXLKYIK-UHFFFAOYSA-N 0 2 403.467 3.653 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cc(CC(C)(C)C)n[nH]2)ccc1Br ZINC000474420597 995384190 /nfs/dbraw/zinc/38/41/90/995384190.db2.gz YHSHTSYJEVNFFU-UHFFFAOYSA-N 0 2 402.314 3.570 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3nnc(-c4ccccc4)s3)cc2F)c1 ZINC000474432607 995394947 /nfs/dbraw/zinc/39/49/47/995394947.db2.gz MEZMHWFOKLYZKI-UHFFFAOYSA-N 0 2 415.475 3.639 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@H](OC1CCCC1)c1ccccc1 ZINC000474571749 995533808 /nfs/dbraw/zinc/53/38/08/995533808.db2.gz AXGCZTGWWTXOPR-JOCHJYFZSA-N 0 2 406.486 3.700 20 0 HHADLN Cc1ccc(-c2cnc(CCC(=O)NCc3nnc(COc4ccccc4)[nH]3)o2)cc1 ZINC000474577311 995538529 /nfs/dbraw/zinc/53/85/29/995538529.db2.gz QGSSRHZLHZYGDB-UHFFFAOYSA-N 0 2 417.469 3.596 20 0 HHADLN Cc1nc(CCC(=O)NCc2nnc(COc3ccccc3)[nH]2)oc1-c1ccccc1 ZINC000474578072 995538931 /nfs/dbraw/zinc/53/89/31/995538931.db2.gz KOTLGBRMBKATSG-UHFFFAOYSA-N 0 2 417.469 3.596 20 0 HHADLN O=C(CCc1ccc(OC(F)(F)F)cc1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474578903 995539425 /nfs/dbraw/zinc/53/94/25/995539425.db2.gz UYJPXBKFJYCJGA-UHFFFAOYSA-N 0 2 420.391 3.531 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000474585362 995544375 /nfs/dbraw/zinc/54/43/75/995544375.db2.gz LLRDLNQWNXJOBC-IRXDYDNUSA-N 0 2 416.403 3.822 20 0 HHADLN C[C@H](CSc1ccc(F)cc1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474591180 995549817 /nfs/dbraw/zinc/54/98/17/995549817.db2.gz GEGGDDKHIWDFDI-CQSZACIVSA-N 0 2 400.479 3.567 20 0 HHADLN O=C(C1=NN(c2ccccc2)CC1=O)N1CCO[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000475470448 996161869 /nfs/dbraw/zinc/16/18/69/996161869.db2.gz RHSWEKLSDXSBEV-SFHVURJKSA-N 0 2 417.387 3.810 20 0 HHADLN C[C@@H](Sc1ccccn1)C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000475514631 996194181 /nfs/dbraw/zinc/19/41/81/996194181.db2.gz YBYCJSMODFVADN-SECBINFHSA-N 0 2 422.283 3.888 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)=N1 ZINC000483684285 996327356 /nfs/dbraw/zinc/32/73/56/996327356.db2.gz NINLNCXJLMALQC-NRFANRHFSA-N 0 2 419.460 3.532 20 0 HHADLN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3cnn(C(C)(C)C)c3)ccc2s1 ZINC000475794190 996374986 /nfs/dbraw/zinc/37/49/86/996374986.db2.gz YRFIIBNIWIFFKA-UHFFFAOYSA-N 0 2 407.517 3.830 20 0 HHADLN O=C1CCCC(=O)N1c1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000475811056 996385928 /nfs/dbraw/zinc/38/59/28/996385928.db2.gz BXWBPYDACUTUOM-UHFFFAOYSA-N 0 2 419.311 3.899 20 0 HHADLN Cc1cc(NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)ccc1C1CC1 ZINC000475871905 996434904 /nfs/dbraw/zinc/43/49/04/996434904.db2.gz XPPDIGUQVGVOAB-UHFFFAOYSA-N 0 2 416.528 3.721 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)c3ccccc3)cc2)nc(C)n1 ZINC000483896989 996455499 /nfs/dbraw/zinc/45/54/99/996455499.db2.gz LEIDRCJXTXQRAP-OAHLLOKOSA-N 0 2 410.499 3.636 20 0 HHADLN CC(C)Oc1cc(F)ccc1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000484165386 996610998 /nfs/dbraw/zinc/61/09/98/996610998.db2.gz SONNGBVLACWITO-UHFFFAOYSA-N 0 2 401.843 3.838 20 0 HHADLN COCc1csc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)n1 ZINC000476235478 996695470 /nfs/dbraw/zinc/69/54/70/996695470.db2.gz KYHFRAMVCGMYHY-UHFFFAOYSA-N 0 2 415.693 3.645 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2ccccc2OC(F)F)c1 ZINC000476265825 996716940 /nfs/dbraw/zinc/71/69/40/996716940.db2.gz XVLNAFBLGZFLKM-UHFFFAOYSA-N 0 2 408.220 3.860 20 0 HHADLN CCOc1ccccc1NS(=O)(=O)c1cc(Br)c(OC)cc1OC ZINC000476266292 996717304 /nfs/dbraw/zinc/71/73/04/996717304.db2.gz YOGGNNYNTGARCJ-UHFFFAOYSA-N 0 2 416.293 3.666 20 0 HHADLN COc1ccc(OC)c(NS(=O)(=O)c2cc(Br)c(C)cc2OC)c1 ZINC000476272061 996722296 /nfs/dbraw/zinc/72/22/96/996722296.db2.gz IYIYJTFZLWYZLA-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cnc3ccccc3c2)cc1Br ZINC000476279076 996727305 /nfs/dbraw/zinc/72/73/05/996727305.db2.gz ORZDERSDQLBGJB-UHFFFAOYSA-N 0 2 423.288 3.815 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccn(-c4cccc(Cl)c4)n3)s[nH]2)c1 ZINC000476286106 996731847 /nfs/dbraw/zinc/73/18/47/996731847.db2.gz DZBDJHVDDKDGPF-UHFFFAOYSA-N 0 2 411.874 3.727 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(C)nc4c3cnn4C(C)C)s[nH]2)c1 ZINC000476319687 996753626 /nfs/dbraw/zinc/75/36/26/996753626.db2.gz TYEDKDOGXPWSGE-UHFFFAOYSA-N 0 2 408.487 3.522 20 0 HHADLN CCOc1c(Cl)cc(C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)cc1OC ZINC000476320781 996754141 /nfs/dbraw/zinc/75/41/41/996754141.db2.gz WMTNSKMVXZPMFC-UHFFFAOYSA-N 0 2 419.890 3.949 20 0 HHADLN O=C(Nc1ccc(F)c(Cl)c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476405481 996864125 /nfs/dbraw/zinc/86/41/25/996864125.db2.gz MNRGVJYMJXTLLD-UHFFFAOYSA-N 0 2 411.867 3.989 20 0 HHADLN CCOc1ccc(OC)cc1NS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000476421074 996887672 /nfs/dbraw/zinc/88/76/72/996887672.db2.gz GBOIQIOJTOXUSK-UHFFFAOYSA-N 0 2 416.293 3.666 20 0 HHADLN COc1ccc(NC(=O)C(=O)NCC2(C)CCC(C)CC2)cc1OCC(F)(F)F ZINC000484710099 997048525 /nfs/dbraw/zinc/04/85/25/997048525.db2.gz FUJMHLKYLOOYIE-UHFFFAOYSA-N 0 2 416.440 3.907 20 0 HHADLN CC(C)C[C@@H](C(=O)N1CCc2c(F)cc(F)cc2C1)N1C(=O)c2ccccc2C1=O ZINC000484710122 997048843 /nfs/dbraw/zinc/04/88/43/997048843.db2.gz GAEOCEWTVAXYQT-FQEVSTJZSA-N 0 2 412.436 3.560 20 0 HHADLN CCOc1ccccc1[C@H](CC(=O)Nc1ncc(-c2ccccc2)cn1)NC(C)=O ZINC000484709601 997048856 /nfs/dbraw/zinc/04/88/56/997048856.db2.gz MQZXRGZGDPGYPZ-FQEVSTJZSA-N 0 2 404.470 3.748 20 0 HHADLN O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ncc(-c2ccccc2)cn1 ZINC000484710196 997049174 /nfs/dbraw/zinc/04/91/74/997049174.db2.gz OKEKXKFVKRUBRJ-UHFFFAOYSA-N 0 2 404.514 3.805 20 0 HHADLN CCc1nnc(C2CC[NH+](CC(=O)N[C@H](CC(C)(C)C)c3ccc(F)cc3)CC2)[nH]1 ZINC000484724260 997064737 /nfs/dbraw/zinc/06/47/37/997064737.db2.gz DFLDROXHHLHOMM-LJQANCHMSA-N 0 2 415.557 3.979 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3CCCc4cn[nH]c43)cc2)cc1C ZINC000484759274 997101239 /nfs/dbraw/zinc/10/12/39/997101239.db2.gz WIHODYRCUSELNR-FQEVSTJZSA-N 0 2 424.526 3.635 20 0 HHADLN Cc1cccc(C)c1CCNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000484902403 997273193 /nfs/dbraw/zinc/27/31/93/997273193.db2.gz XUOHPBGPUPPDPA-UHFFFAOYSA-N 0 2 415.540 3.533 20 0 HHADLN Cc1nc(C(=O)N=c2nc(C(C)(C)C)[nH]s2)nn1-c1c(Cl)cccc1Cl ZINC000476838374 997399679 /nfs/dbraw/zinc/39/96/79/997399679.db2.gz SDQXTDWWGDOZNR-UHFFFAOYSA-N 0 2 411.318 3.706 20 0 HHADLN O=S(=O)(Nc1nc2cc(Cl)ccc2s1)c1cncc(Br)c1 ZINC000476918595 997529339 /nfs/dbraw/zinc/52/93/39/997529339.db2.gz XVYHQJMQSYDLCF-UHFFFAOYSA-N 0 2 404.698 3.908 20 0 HHADLN CCNC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000485170503 997551829 /nfs/dbraw/zinc/55/18/29/997551829.db2.gz FUQKMBGEMCHFIE-UHFFFAOYSA-N 0 2 405.373 3.787 20 0 HHADLN C[C@H]1CCCC[C@@H]1N(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485357529 997781174 /nfs/dbraw/zinc/78/11/74/997781174.db2.gz MXNMYBQOKKRSCR-BBRMVZONSA-N 0 2 408.549 3.986 20 0 HHADLN CC(C)N(Cc1ccco1)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485365399 997791613 /nfs/dbraw/zinc/79/16/13/997791613.db2.gz BUSXBUISVVOXKZ-UHFFFAOYSA-N 0 2 420.516 3.979 20 0 HHADLN CSCC[C@H](C)N(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485371515 997797192 /nfs/dbraw/zinc/79/71/92/997797192.db2.gz QCGPFYRYSJOKMB-LBPRGKRZSA-N 0 2 414.578 3.549 20 0 HHADLN CC(C)CCN(C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1CC1 ZINC000485371474 997797251 /nfs/dbraw/zinc/79/72/51/997797251.db2.gz JOVPDWDFKBRUKZ-UHFFFAOYSA-N 0 2 408.549 3.986 20 0 HHADLN CN(Cc1ccc(F)cc1)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485375844 997802643 /nfs/dbraw/zinc/80/26/43/997802643.db2.gz TUXFTBZWTIXLCA-UHFFFAOYSA-N 0 2 420.491 3.747 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N1CCc2ccccc21 ZINC000485378620 997805561 /nfs/dbraw/zinc/80/55/61/997805561.db2.gz YPQNNWBEFGWBKC-UHFFFAOYSA-N 0 2 400.485 3.539 20 0 HHADLN Cc1ccc(CN(C)C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)s1 ZINC000485384675 997812500 /nfs/dbraw/zinc/81/25/00/997812500.db2.gz WYJRLBCNYBXRDP-UHFFFAOYSA-N 0 2 422.557 3.978 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)C[C@H]1CCC(=O)[C@H]1C ZINC000477155283 997815451 /nfs/dbraw/zinc/81/54/51/997815451.db2.gz CRPPZUQOIIYLPQ-LSDHHAIUSA-N 0 2 418.490 3.879 20 0 HHADLN CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc(Br)c(F)cc2F)c1 ZINC000485444335 997886223 /nfs/dbraw/zinc/88/62/23/997886223.db2.gz VONVCERQTVDDMY-UHFFFAOYSA-N 0 2 419.247 3.795 20 0 HHADLN Cc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1C ZINC000485494141 997948592 /nfs/dbraw/zinc/94/85/92/997948592.db2.gz PXSDWLFHJKYFGP-UHFFFAOYSA-N 0 2 417.512 3.578 20 0 HHADLN Cc1ccc(CCC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1 ZINC000485496787 997951171 /nfs/dbraw/zinc/95/11/71/997951171.db2.gz FWKLZYXVBMDLCD-UHFFFAOYSA-N 0 2 401.513 3.824 20 0 HHADLN O=C(c1cc(F)ccc1F)C1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)CC1 ZINC000485603180 998050018 /nfs/dbraw/zinc/05/00/18/998050018.db2.gz RSXSVKGHEOIRPT-UHFFFAOYSA-N 0 2 411.408 3.591 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccn(C2CCCC2)n1 ZINC000477714193 998435902 /nfs/dbraw/zinc/43/59/02/998435902.db2.gz GICNDVFHCUWEAD-UHFFFAOYSA-N 0 2 417.516 3.508 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)c1C ZINC000486085372 998532888 /nfs/dbraw/zinc/53/28/88/998532888.db2.gz IENVJLIHFBISKJ-UHFFFAOYSA-N 0 2 413.499 3.892 20 0 HHADLN CC(C)c1c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cnn1-c1ccccc1 ZINC000486091414 998539309 /nfs/dbraw/zinc/53/93/09/998539309.db2.gz ROVCNGOKOHPAAJ-UHFFFAOYSA-N 0 2 424.526 3.923 20 0 HHADLN O=C(C1=NN(c2ccccc2)CC1=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000486206520 998645615 /nfs/dbraw/zinc/64/56/15/998645615.db2.gz QHIDJFGWDRSAIX-GOSISDBHSA-N 0 2 415.453 3.995 20 0 HHADLN COc1cccc(Oc2ncccc2CNC(=O)C2=NN(c3ccccc3)CC2=O)c1 ZINC000486428860 998763288 /nfs/dbraw/zinc/76/32/88/998763288.db2.gz DYBHLXIBYALUNI-UHFFFAOYSA-N 0 2 416.437 3.704 20 0 HHADLN COc1ccc(CCN(CC(C)C)C(=O)C2=NN(c3ccccc3)CC2=O)cc1OC ZINC000486458165 998778993 /nfs/dbraw/zinc/77/89/93/998778993.db2.gz HCKMLDITUSCYIU-UHFFFAOYSA-N 0 2 423.513 3.936 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(C)c(Br)c2)n(-c2cc(C)ccn2)n1 ZINC000486549679 998820662 /nfs/dbraw/zinc/82/06/62/998820662.db2.gz MVPJGDUCFMCIIK-UHFFFAOYSA-N 0 2 421.320 3.756 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)cc1 ZINC000486550590 998821107 /nfs/dbraw/zinc/82/11/07/998821107.db2.gz PUFBTMIKAMOLNP-UHFFFAOYSA-N 0 2 424.935 3.951 20 0 HHADLN Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)C2=NN(c3ccccc3)CC2=O)cc1 ZINC000486607075 998853931 /nfs/dbraw/zinc/85/39/31/998853931.db2.gz SYACCIZNVMYDPJ-OAQYLSRUSA-N 0 2 405.498 3.750 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2cc(OC)cc(OC)c2)s1)c1ccccc1 ZINC000486611971 998856424 /nfs/dbraw/zinc/85/64/24/998856424.db2.gz UDNFOSWHKDKUIW-QGZVFWFLSA-N 0 2 419.528 3.898 20 0 HHADLN CC(=O)c1ccc(OCCCC(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1 ZINC000478317989 998884564 /nfs/dbraw/zinc/88/45/64/998884564.db2.gz VYWVASBUSQPZTN-UHFFFAOYSA-N 0 2 400.385 3.750 20 0 HHADLN CC(=O)N[C@H](CC(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccc(Cl)cc1 ZINC000478318281 998884621 /nfs/dbraw/zinc/88/46/21/998884621.db2.gz XILBMAYCOLNFRW-OAHLLOKOSA-N 0 2 419.819 3.609 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(-c3cccs3)ns2)c(Cl)c1Cl ZINC000486817483 998953363 /nfs/dbraw/zinc/95/33/63/998953363.db2.gz CIXLBPRSAAOAKX-UHFFFAOYSA-N 0 2 422.340 3.805 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000486844709 998969616 /nfs/dbraw/zinc/96/96/16/998969616.db2.gz KUMHQOMCSHOTNP-UHFFFAOYSA-N 0 2 420.409 3.514 20 0 HHADLN O=C(NCc1cccc(NC(=O)C2CCC2)c1)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000478455989 998969909 /nfs/dbraw/zinc/96/99/09/998969909.db2.gz RLZSXTNLHFDFIQ-UHFFFAOYSA-N 0 2 424.888 3.900 20 0 HHADLN C[C@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc2ncsc2c1 ZINC000486890065 998993599 /nfs/dbraw/zinc/99/35/99/998993599.db2.gz ZWBAFDDAHJPJIN-ZDUSSCGKSA-N 0 2 408.487 3.554 20 0 HHADLN C[C@@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc2ncsc2c1 ZINC000486890064 998993712 /nfs/dbraw/zinc/99/37/12/998993712.db2.gz ZWBAFDDAHJPJIN-CYBMUJFWSA-N 0 2 408.487 3.554 20 0 HHADLN O=C(Cc1nc(-c2ccc(F)cc2)cs1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000478598183 999040496 /nfs/dbraw/zinc/04/04/96/999040496.db2.gz DPZZMNCXYMIWMW-UHFFFAOYSA-N 0 2 423.473 3.505 20 0 HHADLN CC(C)Oc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1C(N)=O ZINC000478686050 999088506 /nfs/dbraw/zinc/08/85/06/999088506.db2.gz IDWRETOPSATIKD-UHFFFAOYSA-N 0 2 403.287 3.680 20 0 HHADLN COC(=O)c1ccc(C(F)(F)F)nc1SCc1nc(=O)c2sccc2[nH]1 ZINC000478715124 999103228 /nfs/dbraw/zinc/10/32/28/999103228.db2.gz HSXAYGUUKQHFAO-UHFFFAOYSA-N 0 2 401.391 3.890 20 0 HHADLN COCCOc1c(Cl)cccc1NS(=O)(=O)c1cc(OC)ccc1Cl ZINC000487347415 999142582 /nfs/dbraw/zinc/14/25/82/999142582.db2.gz WTDCCEOFRGDPCW-UHFFFAOYSA-N 0 2 406.287 3.828 20 0 HHADLN COc1cc(-c2cc3[nH]c(-c4ccc(F)cn4)nc(=O)c3s2)cc(OC)c1OC ZINC000487487185 999195410 /nfs/dbraw/zinc/19/54/10/999195410.db2.gz QHXLFVBJWNVHQL-UHFFFAOYSA-N 0 2 413.430 3.879 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C[C@H]3C=CCCC3)cc2)nc(C)n1 ZINC000487655626 999244146 /nfs/dbraw/zinc/24/41/46/999244146.db2.gz UCJWXHVLHUHXHZ-INIZCTEOSA-N 0 2 400.504 3.579 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)Nc2nccc(-c3ccco3)n2)s1 ZINC000479155965 999299937 /nfs/dbraw/zinc/29/99/37/999299937.db2.gz FLVXIHWQXXTLFV-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000479259918 999352012 /nfs/dbraw/zinc/35/20/12/999352012.db2.gz FUHHZFLUUVZALC-UHFFFAOYSA-N 0 2 410.499 3.533 20 0 HHADLN Cc1n[nH]c2cc(NS(=O)(=O)c3cc(Cl)ccc3OC[C@@H]3CCOC3)ccc12 ZINC000488269917 999418178 /nfs/dbraw/zinc/41/81/78/999418178.db2.gz UZTPDBIYSIAWLH-CYBMUJFWSA-N 0 2 421.906 3.741 20 0 HHADLN Cc1[nH]nc2cc(NS(=O)(=O)c3cc(Cl)ccc3OC[C@@H]3CCOC3)ccc12 ZINC000488269917 999418181 /nfs/dbraw/zinc/41/81/81/999418181.db2.gz UZTPDBIYSIAWLH-CYBMUJFWSA-N 0 2 421.906 3.741 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(C(F)(F)F)c(C)c2)c(OC)c1 ZINC000488293210 999426588 /nfs/dbraw/zinc/42/65/88/999426588.db2.gz JIIUNFWPQFMSCL-UHFFFAOYSA-N 0 2 405.394 3.840 20 0 HHADLN Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000488303275 999431106 /nfs/dbraw/zinc/43/11/06/999431106.db2.gz VXRQRCVMBPSXSC-CYBMUJFWSA-N 0 2 421.906 3.741 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)c(Br)c1)c1cnn(CC(F)(F)F)c1 ZINC000479485371 999438647 /nfs/dbraw/zinc/43/86/47/999438647.db2.gz UPYKETIHARYOPZ-UHFFFAOYSA-N 0 2 418.622 3.662 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1Cl ZINC000479502367 999447266 /nfs/dbraw/zinc/44/72/66/999447266.db2.gz YKOMSZKXHQQFMC-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN COc1ccc(COCc2cccc(NS(=O)(=O)c3c(C)nn(C)c3C)c2)cc1 ZINC000479512343 999453094 /nfs/dbraw/zinc/45/30/94/999453094.db2.gz MLOBZAHLNLFUQO-UHFFFAOYSA-N 0 2 415.515 3.563 20 0 HHADLN CCC(C)(C)OCc1ccccc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000479537724 999466576 /nfs/dbraw/zinc/46/65/76/999466576.db2.gz OHYZDANUPQNCGL-UHFFFAOYSA-N 0 2 405.442 3.951 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCc2cc(Br)ccc2C1 ZINC000479569789 999482473 /nfs/dbraw/zinc/48/24/73/999482473.db2.gz WRVDODYGYINGGC-UHFFFAOYSA-N 0 2 415.316 3.980 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccccc1F)c1ccc(CC(F)(F)F)cc1 ZINC000479623338 999505999 /nfs/dbraw/zinc/50/59/99/999505999.db2.gz XSCFOMWFCGAWFJ-UHFFFAOYSA-N 0 2 413.396 3.976 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCCC[C@H]3c3nnc(C4CCC4)o3)=N2)cc1 ZINC000488503381 999510148 /nfs/dbraw/zinc/51/01/48/999510148.db2.gz OGNGJWGHTDNMJG-KRWDZBQOSA-N 0 2 423.473 3.604 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCCC[C@@H]3c3nnc(C4CCC4)o3)=N2)cc1 ZINC000488503383 999510171 /nfs/dbraw/zinc/51/01/71/999510171.db2.gz OGNGJWGHTDNMJG-QGZVFWFLSA-N 0 2 423.473 3.604 20 0 HHADLN COCc1csc(NS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)n1 ZINC000488571334 999531379 /nfs/dbraw/zinc/53/13/79/999531379.db2.gz WWCWQBRUMNHOEI-UHFFFAOYSA-N 0 2 402.925 3.923 20 0 HHADLN CCc1nnc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)s1 ZINC000488575586 999532890 /nfs/dbraw/zinc/53/28/90/999532890.db2.gz LHSPBLGQFXHBKB-LBPRGKRZSA-N 0 2 417.940 3.503 20 0 HHADLN CCc1nnc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)s1 ZINC000488575583 999532958 /nfs/dbraw/zinc/53/29/58/999532958.db2.gz LHSPBLGQFXHBKB-GFCCVEGCSA-N 0 2 417.940 3.503 20 0 HHADLN O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cnn(CC(F)F)c1 ZINC000488596982 999540646 /nfs/dbraw/zinc/54/06/46/999540646.db2.gz OPNGAGFWMIMCQI-UHFFFAOYSA-N 0 2 424.395 3.568 20 0 HHADLN O=C(Cn1c2ccccc2nc1C(F)(F)F)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000479767036 999580782 /nfs/dbraw/zinc/58/07/82/999580782.db2.gz NKVAAXMBCOGFIH-UHFFFAOYSA-N 0 2 422.317 3.757 20 0 HHADLN CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1 ZINC000479776373 999585693 /nfs/dbraw/zinc/58/56/93/999585693.db2.gz UBKYRLZPDWDRII-UHFFFAOYSA-N 0 2 413.428 3.778 20 0 HHADLN CC(C)(C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000479777210 999586160 /nfs/dbraw/zinc/58/61/60/999586160.db2.gz OHMFAVVRNJMTBF-JQHSSLGASA-N 0 2 411.502 3.693 20 0 HHADLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000480045117 999699290 /nfs/dbraw/zinc/69/92/90/999699290.db2.gz VXXGAUNNIHWYLD-UHFFFAOYSA-N 0 2 402.907 3.819 20 0 HHADLN Cc1noc([C@@H]2CCCCN2C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)n1 ZINC000480052613 999702950 /nfs/dbraw/zinc/70/29/50/999702950.db2.gz YIDHXASWISXZSR-ZDUSSCGKSA-N 0 2 404.883 3.731 20 0 HHADLN Cc1ccc(OCc2nc(NS(=O)(=O)c3ccc(OC(C)C)cc3)no2)cc1 ZINC000480089758 999714547 /nfs/dbraw/zinc/71/45/47/999714547.db2.gz BZIAJKWYXKLHMA-UHFFFAOYSA-N 0 2 403.460 3.545 20 0 HHADLN CCOC(=O)c1c(CC)c(C)sc1NS(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000480128085 999724757 /nfs/dbraw/zinc/72/47/57/999724757.db2.gz ZZAKVMPOGPPYPN-UHFFFAOYSA-N 0 2 424.544 3.579 20 0 HHADLN Cc1ccc(OCc2nc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)no2)cc1 ZINC000480154937 999732533 /nfs/dbraw/zinc/73/25/33/999732533.db2.gz SZRSVWJXXVZTEL-UHFFFAOYSA-N 0 2 413.377 3.777 20 0 HHADLN CCc1c(NS(=O)(=O)c2cc(OC)cc(OC)c2)cnn1-c1cccc(C)c1 ZINC000480198926 999742649 /nfs/dbraw/zinc/74/26/49/999742649.db2.gz JNFVEKPNLDKNER-UHFFFAOYSA-N 0 2 401.488 3.561 20 0 HHADLN CCOC(=O)c1cc(CC)sc1NS(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000480207860 999745589 /nfs/dbraw/zinc/74/55/89/999745589.db2.gz UOKXWHODAFISLB-UHFFFAOYSA-N 0 2 413.517 3.614 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)c(F)c1 ZINC000480209958 999746188 /nfs/dbraw/zinc/74/61/88/999746188.db2.gz OZUDIBXFOBIQII-UHFFFAOYSA-N 0 2 407.398 3.702 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)OCO3)cnn1-c1ccccc1Cl ZINC000480216651 999747846 /nfs/dbraw/zinc/74/78/46/999747846.db2.gz KJQBYZHHWMYHHV-UHFFFAOYSA-N 0 2 405.863 3.618 20 0 HHADLN CC(C)(C)[C@H]1CCc2nc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)sc2C1 ZINC000480238350 999753577 /nfs/dbraw/zinc/75/35/77/999753577.db2.gz UHIOPJPCGUJMRJ-ZDUSSCGKSA-N 0 2 424.592 3.643 20 0 HHADLN CC[C@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)c1ccc(OC)c(OC)c1 ZINC000480256813 999757620 /nfs/dbraw/zinc/75/76/20/999757620.db2.gz CBJHYEQLYHIUCK-ZDUSSCGKSA-N 0 2 404.517 3.979 20 0 HHADLN Cc1cc(Cl)cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)c1 ZINC000490092074 999892066 /nfs/dbraw/zinc/89/20/66/999892066.db2.gz XVZOLMQQCPNDMX-UHFFFAOYSA-N 0 2 408.892 3.553 20 0 HHADLN CC1(C)CCC(CC(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)CC1 ZINC000490099826 999893070 /nfs/dbraw/zinc/89/30/70/999893070.db2.gz HFHFTBHVYRZWQM-UHFFFAOYSA-N 0 2 408.549 3.884 20 0 HHADLN COC(=O)c1c(F)cccc1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000491592188 1000087028 /nfs/dbraw/zinc/08/70/28/1000087028.db2.gz SDCUMKQOMXUTEF-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ncccn2)cc1C(F)(F)F ZINC000492017838 1000105050 /nfs/dbraw/zinc/10/50/50/1000105050.db2.gz CDIDJBFTUKJELC-UHFFFAOYSA-N 0 2 423.420 3.668 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1 ZINC000492073189 1000108215 /nfs/dbraw/zinc/10/82/15/1000108215.db2.gz YZFQSPIJYLLRIQ-UHFFFAOYSA-N 0 2 400.909 3.761 20 0 HHADLN CC(C)(C)c1cc(NS(=O)(=O)c2cc(F)ccc2Cl)n(-c2ncccn2)n1 ZINC000492072639 1000108222 /nfs/dbraw/zinc/10/82/22/1000108222.db2.gz XGURWGUHYFVQIM-UHFFFAOYSA-N 0 2 409.874 3.553 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2nc(CN3CCC(C)CC3)cs2)c1 ZINC000492145406 1000111585 /nfs/dbraw/zinc/11/15/85/1000111585.db2.gz VJQIAOCICINYDD-UHFFFAOYSA-N 0 2 415.968 3.838 20 0 HHADLN O=C(Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1csc2ccccc12 ZINC000492166723 1000112925 /nfs/dbraw/zinc/11/29/25/1000112925.db2.gz FQHPIGMYGOSWTH-UHFFFAOYSA-N 0 2 416.509 3.806 20 0 HHADLN CCCc1csc(NS(=O)(=O)c2cc(Br)c(C)cc2OC)n1 ZINC000504542457 1000260188 /nfs/dbraw/zinc/26/01/88/1000260188.db2.gz QHQXDJKQNFCLLC-UHFFFAOYSA-N 0 2 405.339 3.976 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC000505072560 1000536604 /nfs/dbraw/zinc/53/66/04/1000536604.db2.gz ZAZQEVMPPDVILA-PJIJBLCYSA-N 0 2 406.479 3.687 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC(N3CCc4ccccc43)CC2)=N1 ZINC000505146851 1000577075 /nfs/dbraw/zinc/57/70/75/1000577075.db2.gz XOXDNMBRWHADLW-UHFFFAOYSA-N 0 2 420.488 3.693 20 0 HHADLN CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000494996538 1000769533 /nfs/dbraw/zinc/76/95/33/1000769533.db2.gz IIQVBYBGELSUSC-KRWDZBQOSA-N 0 2 411.285 3.857 20 0 HHADLN CN(C)C(=O)Nc1ccc(Cl)c(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)c1 ZINC000505572708 1000913221 /nfs/dbraw/zinc/91/32/21/1000913221.db2.gz NBLQQQZSHKHYSU-UHFFFAOYSA-N 0 2 420.807 3.749 20 0 HHADLN COCc1ccsc1C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000495437432 1001012203 /nfs/dbraw/zinc/01/22/03/1001012203.db2.gz BNQGEUMBBVFGRI-UHFFFAOYSA-N 0 2 411.256 3.834 20 0 HHADLN CCCOc1ccc(NS(=O)(=O)c2ccc(CCNC(C)=O)s2)cc1Cl ZINC000497543410 1001428413 /nfs/dbraw/zinc/42/84/13/1001428413.db2.gz XNNBOKRGOSPWBU-UHFFFAOYSA-N 0 2 416.952 3.670 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(C(C)(C)C)ccc2O)c1 ZINC000506599238 1001467540 /nfs/dbraw/zinc/46/75/40/1001467540.db2.gz FXRXYTPQBIFPKG-UHFFFAOYSA-N 0 2 407.488 3.676 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCO[C@H](c3ccc(F)c(C)c3)C2)=N1 ZINC000497671591 1001479710 /nfs/dbraw/zinc/47/97/10/1001479710.db2.gz SVWAIHVVZRKQIT-NRFANRHFSA-N 0 2 409.461 3.802 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccccc2OCc2cscn2)c1 ZINC000506649706 1001482668 /nfs/dbraw/zinc/48/26/68/1001482668.db2.gz UDVKVNWTWFQZBZ-UHFFFAOYSA-N 0 2 420.512 3.678 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc(C)c(O)c1C ZINC000506689171 1001494847 /nfs/dbraw/zinc/49/48/47/1001494847.db2.gz KAEQMKHOQINIJH-UHFFFAOYSA-N 0 2 404.271 3.903 20 0 HHADLN CC(C)(C)c1cc(NS(=O)(=O)c2csc3ccccc32)n(-c2ncccn2)n1 ZINC000506849505 1001563836 /nfs/dbraw/zinc/56/38/36/1001563836.db2.gz RTGUFBXAMFVFTQ-UHFFFAOYSA-N 0 2 413.528 3.975 20 0 HHADLN COCCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cn1 ZINC000506849713 1001564254 /nfs/dbraw/zinc/56/42/54/1001564254.db2.gz CEVKRJYCQOEBLU-UHFFFAOYSA-N 0 2 410.801 3.580 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3C[C@@H](C)O[C@@H](c4ccsc4)C3)s[nH]2)c1 ZINC000498222881 1001707179 /nfs/dbraw/zinc/70/71/79/1001707179.db2.gz AGTVWRUVAPYAPL-MLGOLLRUSA-N 0 2 416.528 3.691 20 0 HHADLN COc1ccc(C(=O)N2CCCCCC2)cc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000507012607 1001763996 /nfs/dbraw/zinc/76/39/96/1001763996.db2.gz KENLJSBBIPAUFH-UHFFFAOYSA-N 0 2 423.922 3.561 20 0 HHADLN COC(=O)c1scc(-c2ccc(C)cc2)c1NS(=O)(=O)c1c(C)nn(C)c1C ZINC000507578421 1002182838 /nfs/dbraw/zinc/18/28/38/1002182838.db2.gz FGVAAWPXZCGZJI-UHFFFAOYSA-N 0 2 419.528 3.661 20 0 HHADLN Cn1cc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c(C(F)(F)F)n1 ZINC000507901096 1002435225 /nfs/dbraw/zinc/43/52/25/1002435225.db2.gz GPJZICRMVFELOI-UHFFFAOYSA-N 0 2 407.723 3.912 20 0 HHADLN CC[C@H](C)c1ncc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)cn1 ZINC000507969351 1002500495 /nfs/dbraw/zinc/50/04/95/1002500495.db2.gz LGLRKIINNVNFML-VIFPVBQESA-N 0 2 418.302 3.884 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cccc3ccc(O)cc32)c1 ZINC000507972588 1002502881 /nfs/dbraw/zinc/50/28/81/1002502881.db2.gz XCVCMFXXXPLAHX-UHFFFAOYSA-N 0 2 401.440 3.532 20 0 HHADLN O=C(Nc1ccc2nn[nH]c2c1)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000507999060 1002526951 /nfs/dbraw/zinc/52/69/51/1002526951.db2.gz JNKKJQYZZTZCEG-GFCCVEGCSA-N 0 2 418.284 3.756 20 0 HHADLN CCCCN1C(=O)CC[C@@H](C(=O)Nc2ccc3nn[nH]c3c2)[C@@H]1c1ccccc1OC ZINC000508003588 1002531821 /nfs/dbraw/zinc/53/18/21/1002531821.db2.gz YYDTUAHZPGAIQM-VGSWGCGISA-N 0 2 421.501 3.685 20 0 HHADLN NC(=O)COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1-c1cccs1 ZINC000499149910 1002533834 /nfs/dbraw/zinc/53/38/34/1002533834.db2.gz JAEVROKIPGIGIM-UHFFFAOYSA-N 0 2 422.915 3.733 20 0 HHADLN CCCOc1ccc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)cc1Cl ZINC000499156639 1002541542 /nfs/dbraw/zinc/54/15/42/1002541542.db2.gz QMUVYLZSMPXKLT-UHFFFAOYSA-N 0 2 415.302 3.934 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)c(C(F)(F)F)c1 ZINC000499166505 1002551131 /nfs/dbraw/zinc/55/11/31/1002551131.db2.gz INPNEZZKQMCNAK-UHFFFAOYSA-N 0 2 420.800 3.519 20 0 HHADLN COC(=O)c1ncc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1Cl ZINC000508058799 1002580180 /nfs/dbraw/zinc/58/01/80/1002580180.db2.gz XUBOYIGFGWGDDR-UHFFFAOYSA-N 0 2 413.641 3.768 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)o2)s1 ZINC000508069736 1002591884 /nfs/dbraw/zinc/59/18/84/1002591884.db2.gz SEALFKDXZCHULS-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN COCc1cnc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)s1 ZINC000508074883 1002596807 /nfs/dbraw/zinc/59/68/07/1002596807.db2.gz UIHFNGMWQSHCEZ-UHFFFAOYSA-N 0 2 415.693 3.645 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCC(F)(F)c2ccc(Cl)cc2)c(F)c1 ZINC000508087633 1002610091 /nfs/dbraw/zinc/61/00/91/1002610091.db2.gz WYKQPNOXRAXEIU-UHFFFAOYSA-N 0 2 424.803 3.647 20 0 HHADLN CN1C(=O)CC[C@@H](C(=O)Nc2ccc3nn[nH]c3c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000508092642 1002616492 /nfs/dbraw/zinc/61/64/92/1002616492.db2.gz GIVITULQZURIMQ-KDOFPFPSSA-N 0 2 417.391 3.525 20 0 HHADLN O=S(=O)(Nc1ncc(-c2cccnc2)s1)c1cc(Br)ccc1F ZINC000508108243 1002633397 /nfs/dbraw/zinc/63/33/97/1002633397.db2.gz APQWHQSIBQCDRJ-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN C[C@H]1Cc2cc(S(=O)(=O)Nc3nc(C4CCOCC4)cs3)cc(Cl)c2O1 ZINC000508108206 1002633428 /nfs/dbraw/zinc/63/34/28/1002633428.db2.gz AEPZUXCFRWQUBK-JTQLQIEISA-N 0 2 414.936 3.815 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)F)c2)o1)c1ccccc1Cl ZINC000508109263 1002635580 /nfs/dbraw/zinc/63/55/80/1002635580.db2.gz IVSMGPPGSFNZKY-UHFFFAOYSA-N 0 2 401.778 3.792 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(C)C)c1 ZINC000499276600 1002684600 /nfs/dbraw/zinc/68/46/00/1002684600.db2.gz ZKBVQDKKHNACFS-UHFFFAOYSA-N 0 2 413.927 3.903 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cc2n[nH]cc21 ZINC000499285231 1002696091 /nfs/dbraw/zinc/69/60/91/1002696091.db2.gz NHZAOSSZGJISDM-UHFFFAOYSA-N 0 2 402.220 3.713 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1cnc(C)nc1C1CC1 ZINC000508224150 1002753724 /nfs/dbraw/zinc/75/37/24/1002753724.db2.gz PIFFXAARFXKGGY-UHFFFAOYSA-N 0 2 416.286 3.557 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2cccc3ncccc32)c1OC(C)C ZINC000499495570 1002883825 /nfs/dbraw/zinc/88/38/25/1002883825.db2.gz PWNWSWGULXWVMT-UHFFFAOYSA-N 0 2 400.456 3.609 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2ccccc2-c2ccno2)c1OC(C)C ZINC000499507718 1002896791 /nfs/dbraw/zinc/89/67/91/1002896791.db2.gz SRLWGSFIIAZBRZ-UHFFFAOYSA-N 0 2 416.455 3.716 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(C)Cc3cccc(Br)c3)=N2)cc1 ZINC000499547011 1002930447 /nfs/dbraw/zinc/93/04/47/1002930447.db2.gz NFJFWTRFSSEJGC-UHFFFAOYSA-N 0 2 416.275 3.621 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(C)Cc3cc(Cl)ccc3OC)=N2)cc1 ZINC000499597927 1002973301 /nfs/dbraw/zinc/97/33/01/1002973301.db2.gz YTXJFKRGOIMSNI-UHFFFAOYSA-N 0 2 401.850 3.521 20 0 HHADLN CCCN(C(=O)C1=NN(c2ccc(OC)cc2)CC1=O)[C@@H]1CCc2ccccc2C1 ZINC000499631365 1002997897 /nfs/dbraw/zinc/99/78/97/1002997897.db2.gz NIBHZUHFFZSWRL-HXUWFJFHSA-N 0 2 405.498 3.996 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC(Oc4cc(C)ccc4C)CC3)=N2)cc1 ZINC000499684844 1003038474 /nfs/dbraw/zinc/03/84/74/1003038474.db2.gz PLUYRMIXTYFPFB-UHFFFAOYSA-N 0 2 421.497 3.887 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC[C@H]3c3ccc(OC)cc3OC)=N2)cc1 ZINC000499718806 1003066937 /nfs/dbraw/zinc/06/69/37/1003066937.db2.gz CTVOUKPNJNHKNF-IBGZPJMESA-N 0 2 423.469 3.581 20 0 HHADLN Cc1ccccc1C1(CNC(=O)C2=NN(c3ccc(F)cc3)CC2=O)CCOCC1 ZINC000499740780 1003086219 /nfs/dbraw/zinc/08/62/19/1003086219.db2.gz LEVQXYBWMHTSCT-UHFFFAOYSA-N 0 2 409.461 3.504 20 0 HHADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])C[C@@H](C)O1 ZINC000499742012 1003087904 /nfs/dbraw/zinc/08/79/04/1003087904.db2.gz PGBIVWMZHIUSOH-HZPDHXFCSA-N 0 2 424.476 3.579 20 0 HHADLN COc1ccc([C@H]2CCCN2C(=O)C2=NN(c3ccc(F)cc3)CC2=O)cc1OC ZINC000499743606 1003088772 /nfs/dbraw/zinc/08/87/72/1003088772.db2.gz QARQUGBWOGJCTO-QGZVFWFLSA-N 0 2 411.433 3.712 20 0 HHADLN O=C(c1ccc(F)cc1)[C@@H]1CCCN(C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000499819173 1003155461 /nfs/dbraw/zinc/15/54/61/1003155461.db2.gz RTFVWHZAQWCHSB-OAHLLOKOSA-N 0 2 411.408 3.591 20 0 HHADLN Cc1ccc(C)c([C@@H]2CN(C(=O)C3=NN(c4ccc(F)cc4)CC3=O)[C@@H](C)CO2)c1 ZINC000499847650 1003184121 /nfs/dbraw/zinc/18/41/21/1003184121.db2.gz MZSMLFGAPDZGAC-KKSFZXQISA-N 0 2 409.461 3.936 20 0 HHADLN Cc1ccc(C)c([C@H]2CN(C(=O)C3=NN(c4ccc(F)cc4)CC3=O)[C@@H](C)CO2)c1 ZINC000499847647 1003184151 /nfs/dbraw/zinc/18/41/51/1003184151.db2.gz MZSMLFGAPDZGAC-HRAATJIYSA-N 0 2 409.461 3.936 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](c3nccs3)c3ccccc3)=N2)cc1 ZINC000499968354 1003287139 /nfs/dbraw/zinc/28/71/39/1003287139.db2.gz MBJOVTKDJFFVBO-GOSISDBHSA-N 0 2 406.467 3.562 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC000509066523 1003528500 /nfs/dbraw/zinc/52/85/00/1003528500.db2.gz NQWZENTWGGUDAR-UHFFFAOYSA-N 0 2 422.400 3.787 20 0 HHADLN CCCC(=O)Nc1nc2ccc(NS(=O)(=O)c3cccc4c3OCO4)cc2s1 ZINC000509103672 1003554942 /nfs/dbraw/zinc/55/49/42/1003554942.db2.gz QDWVVGRZIDUHJR-UHFFFAOYSA-N 0 2 419.484 3.564 20 0 HHADLN CC(C)CCOc1ccc(S(=O)(=O)Nc2ccn(Cc3ccncc3)n2)cc1 ZINC000500295116 1003605245 /nfs/dbraw/zinc/60/52/45/1003605245.db2.gz GRZNWIUVTGNAMU-UHFFFAOYSA-N 0 2 400.504 3.552 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C)n(Cc2ccccn2)n1 ZINC000509195162 1003617656 /nfs/dbraw/zinc/61/76/56/1003617656.db2.gz IPGNQVAYKQIEKP-UHFFFAOYSA-N 0 2 410.421 3.763 20 0 HHADLN O=S(=O)(Nc1ncc(Cc2ccc(F)c(F)c2)s1)c1cccc2c1OCO2 ZINC000509204327 1003622743 /nfs/dbraw/zinc/62/27/43/1003622743.db2.gz DECVZXAYFXZYAV-UHFFFAOYSA-N 0 2 410.423 3.542 20 0 HHADLN O=S(=O)(Nc1ncc(Cc2ccccc2Cl)s1)c1cccc2c1OCO2 ZINC000509204208 1003622846 /nfs/dbraw/zinc/62/28/46/1003622846.db2.gz VFGHHQPVJPLYGV-UHFFFAOYSA-N 0 2 408.888 3.917 20 0 HHADLN CCNC(=O)c1cc(NS(=O)(=O)c2cccc(SC)c2)nc2ccccc21 ZINC000509205848 1003623331 /nfs/dbraw/zinc/62/33/31/1003623331.db2.gz PFTVBWYXRAKRAI-UHFFFAOYSA-N 0 2 401.513 3.507 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC[C@@H]3CC(=O)c3ccc(F)cc3)=N2)cc1 ZINC000500324643 1003625308 /nfs/dbraw/zinc/62/53/08/1003625308.db2.gz FXBMQLSCJRUYBS-GOSISDBHSA-N 0 2 423.444 3.603 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C)nc1C ZINC000509214303 1003628761 /nfs/dbraw/zinc/62/87/61/1003628761.db2.gz YPEXLYNHWZPKPL-UHFFFAOYSA-N 0 2 408.423 3.756 20 0 HHADLN O=C(C[C@@H]1CCCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1ccc(F)cc1 ZINC000500331892 1003630063 /nfs/dbraw/zinc/63/00/63/1003630063.db2.gz RMVIBXOEUDYUBF-SFHVURJKSA-N 0 2 411.408 3.734 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000509220522 1003633757 /nfs/dbraw/zinc/63/37/57/1003633757.db2.gz XRDUCCWAMXCRMG-KRWDZBQOSA-N 0 2 412.515 3.623 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2SCC(N)=O)c1Cl ZINC000509261312 1003662135 /nfs/dbraw/zinc/66/21/35/1003662135.db2.gz AYUQWDXRRCCGOQ-UHFFFAOYSA-N 0 2 405.328 3.680 20 0 HHADLN O=S(=O)(Nc1nnc(C2CC2)o1)c1cc(C(F)(F)F)ccc1Br ZINC000500468489 1003733360 /nfs/dbraw/zinc/73/33/60/1003733360.db2.gz ICNWGITZRIUIBM-UHFFFAOYSA-N 0 2 412.187 3.529 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(C3CCCCC3)s2)cc1OC ZINC000500486691 1003742976 /nfs/dbraw/zinc/74/29/76/1003742976.db2.gz SWOAYTWRNNUDQE-UHFFFAOYSA-N 0 2 410.517 3.787 20 0 HHADLN CO[C@@H]1CCC[C@@H](Oc2ccnc(NS(=O)(=O)c3cccc4ccccc43)n2)C1 ZINC000500568574 1003788569 /nfs/dbraw/zinc/78/85/69/1003788569.db2.gz OVHKGPAJUHMMRD-IAGOWNOFSA-N 0 2 413.499 3.767 20 0 HHADLN CO[C@H]1CCC[C@H](Oc2ccnc(NS(=O)(=O)c3cccc4ccccc43)n2)C1 ZINC000500568575 1003788718 /nfs/dbraw/zinc/78/87/18/1003788718.db2.gz OVHKGPAJUHMMRD-IRXDYDNUSA-N 0 2 413.499 3.767 20 0 HHADLN C[S@@](=O)Cc1ccccc1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000509378518 1003807402 /nfs/dbraw/zinc/80/74/02/1003807402.db2.gz LSQJXYDBWFIPHB-OAQYLSRUSA-N 0 2 422.753 3.782 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)c(F)c1N1CCOCC1)c1cc(F)c(F)cc1F ZINC000509384496 1003814059 /nfs/dbraw/zinc/81/40/59/1003814059.db2.gz FOMASKIDKDBXEN-UHFFFAOYSA-N 0 2 424.803 3.534 20 0 HHADLN O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2cccc3c2OCCO3)cc1 ZINC000509561949 1003945919 /nfs/dbraw/zinc/94/59/19/1003945919.db2.gz WKNVKFGHCXHKOI-UHFFFAOYSA-N 0 2 410.451 3.511 20 0 HHADLN CCN(CC)C(=O)Cn1ccc2cc(NS(=O)(=O)c3cccc(F)c3F)ccc21 ZINC000509562636 1003946544 /nfs/dbraw/zinc/94/65/44/1003946544.db2.gz ZPQFCXAYADJGJS-UHFFFAOYSA-N 0 2 421.469 3.589 20 0 HHADLN O=S(=O)(Nc1ccccc1NCC(F)(F)F)c1cnn(Cc2ccccc2)c1 ZINC000509580705 1003958759 /nfs/dbraw/zinc/95/87/59/1003958759.db2.gz ZMYHVHPPYCJRGH-UHFFFAOYSA-N 0 2 410.421 3.706 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000509610616 1003977640 /nfs/dbraw/zinc/97/76/40/1003977640.db2.gz LECHMQADZLMGLB-UHFFFAOYSA-N 0 2 423.796 3.869 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1n[nH]c(C2CC2)n1)c1ccccc1OC(F)F ZINC000509610890 1003977742 /nfs/dbraw/zinc/97/77/42/1003977742.db2.gz MCGJFIUOTGKKMZ-UHFFFAOYSA-N 0 2 406.414 3.751 20 0 HHADLN Cc1n[nH]cc1S(=O)(=O)Nc1ccc(Cl)c(Cn2c(C)nc3ccccc32)c1 ZINC000509648753 1004004836 /nfs/dbraw/zinc/00/48/36/1004004836.db2.gz FVAVHAIAYSWZKB-UHFFFAOYSA-N 0 2 415.906 3.879 20 0 HHADLN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000500944392 1004067831 /nfs/dbraw/zinc/06/78/31/1004067831.db2.gz KNGOFMXVLJFCCL-SFHVURJKSA-N 0 2 409.465 3.702 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccc(Cl)c2)ns1)c1cccc2ncccc21 ZINC000512342662 1004230620 /nfs/dbraw/zinc/23/06/20/1004230620.db2.gz LXQKOCWXGHJZDK-UHFFFAOYSA-N 0 2 402.888 3.629 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccccc2Cl)ns1)c1cccc2ncccc21 ZINC000512357024 1004243450 /nfs/dbraw/zinc/24/34/50/1004243450.db2.gz FBQJYNJKCPFDEY-UHFFFAOYSA-N 0 2 402.888 3.629 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc3c(cc2C)OCO3)cnn1-c1ccc(Cl)cc1 ZINC000510087117 1004314111 /nfs/dbraw/zinc/31/41/11/1004314111.db2.gz QYDNTRSVIJRFLT-UHFFFAOYSA-N 0 2 405.863 3.672 20 0 HHADLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000510101840 1004325344 /nfs/dbraw/zinc/32/53/44/1004325344.db2.gz PFRJXVCLETVFMZ-UHFFFAOYSA-N 0 2 404.451 3.700 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cn(-c3ccccc3)nc2C)cc1Cl ZINC000510110189 1004330122 /nfs/dbraw/zinc/33/01/22/1004330122.db2.gz RWNLEQZTTBKIHP-UHFFFAOYSA-N 0 2 404.879 3.593 20 0 HHADLN CCCOc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000510159268 1004365181 /nfs/dbraw/zinc/36/51/81/1004365181.db2.gz LHIKGJRQOQWAGJ-UHFFFAOYSA-N 0 2 417.512 3.985 20 0 HHADLN COc1c(Cl)cccc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000512781731 1004556667 /nfs/dbraw/zinc/55/66/67/1004556667.db2.gz WMZIPUREBCJNNX-UHFFFAOYSA-N 0 2 402.859 3.893 20 0 HHADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000512786406 1004559394 /nfs/dbraw/zinc/55/93/94/1004559394.db2.gz ZSEJJVSZLAUVOR-UHFFFAOYSA-N 0 2 413.854 3.855 20 0 HHADLN COC(=O)[C@@H]1CC[C@@H]1C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000512944490 1004714979 /nfs/dbraw/zinc/71/49/79/1004714979.db2.gz DIDLFYAUZJDCLR-DLBZAZTESA-N 0 2 409.467 3.557 20 0 HHADLN C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000501978568 1004842877 /nfs/dbraw/zinc/84/28/77/1004842877.db2.gz LPRZIZAUZZIOFY-QMMMGPOBSA-N 0 2 423.705 3.658 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000502167312 1004934550 /nfs/dbraw/zinc/93/45/50/1004934550.db2.gz MDOIAIBNTHFNLV-NJDAHSKKSA-N 0 2 417.513 3.861 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1F ZINC000513452989 1004973541 /nfs/dbraw/zinc/97/35/41/1004973541.db2.gz QDEIVQWAEWILNY-UHFFFAOYSA-N 0 2 418.412 3.790 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 ZINC000511014968 1004980553 /nfs/dbraw/zinc/98/05/53/1004980553.db2.gz SUQOASWHUHGKNU-UHFFFAOYSA-N 0 2 423.498 3.840 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)C1(Cc2ccccc2Br)CC1 ZINC000513584317 1005035982 /nfs/dbraw/zinc/03/59/82/1005035982.db2.gz SYSAPLOIMWUAGW-UHFFFAOYSA-N 0 2 413.275 3.901 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1nc(C2CC2)cs1 ZINC000502454131 1005081187 /nfs/dbraw/zinc/08/11/87/1005081187.db2.gz GDPIWJSURQOLOV-UHFFFAOYSA-N 0 2 407.286 3.732 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2C(=O)OC)c(C(F)(F)F)c1 ZINC000513817169 1005142232 /nfs/dbraw/zinc/14/22/32/1005142232.db2.gz BWOYUGAYADXFNC-UHFFFAOYSA-N 0 2 417.405 4.000 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1cc2n[nH]cc2cc1C ZINC000502782817 1005216088 /nfs/dbraw/zinc/21/60/88/1005216088.db2.gz UTTJMHAOTHAWLR-UHFFFAOYSA-N 0 2 414.256 3.582 20 0 HHADLN CCOCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccsc1 ZINC000502837050 1005238770 /nfs/dbraw/zinc/23/87/70/1005238770.db2.gz DZBCPTDQZUPRPJ-UHFFFAOYSA-N 0 2 406.323 3.727 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[n-]s1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000511714527 1005289356 /nfs/dbraw/zinc/28/93/56/1005289356.db2.gz VUSOLLKPZNPDSP-OAHLLOKOSA-N 0 2 420.510 3.784 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[n-]s1)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000511714527 1005289361 /nfs/dbraw/zinc/28/93/61/1005289361.db2.gz VUSOLLKPZNPDSP-OAHLLOKOSA-N 0 2 420.510 3.784 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CCC(C)(C)C3)cc2)nc(C)n1 ZINC000514164063 1005295237 /nfs/dbraw/zinc/29/52/37/1005295237.db2.gz FDOBZKRFGOKGEG-HNNXBMFYSA-N 0 2 402.520 3.659 20 0 HHADLN CC(C)[C@@H]1C[C@H](CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CCO1 ZINC000514168758 1005297218 /nfs/dbraw/zinc/29/72/18/1005297218.db2.gz AURXVBCKHQEMTD-PBHICJAKSA-N 0 2 423.560 3.724 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CC[C@](F)(c4cccc(Cl)c4)C3)=N2)cc1 ZINC000514229478 1005322811 /nfs/dbraw/zinc/32/28/11/1005322811.db2.gz QUXMNLGYKXGOQN-OAQYLSRUSA-N 0 2 415.852 3.951 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N[C@H]2CCOc3c(Br)cccc32)s[nH]1 ZINC000503095947 1005346130 /nfs/dbraw/zinc/34/61/30/1005346130.db2.gz FTSGJXXAFDXTBV-NSHDSACASA-N 0 2 411.325 3.665 20 0 HHADLN O=S(=O)(Nc1ccc(Oc2cccc(Br)c2)nc1)c1cncc(F)c1 ZINC000503422826 1005415834 /nfs/dbraw/zinc/41/58/34/1005415834.db2.gz BWHRYQHJRDLEKS-UHFFFAOYSA-N 0 2 424.251 3.971 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cnc(-c2ccc(F)c(F)c2)s1 ZINC000503650653 1005473878 /nfs/dbraw/zinc/47/38/78/1005473878.db2.gz UMIFXZRJOVQUJB-UHFFFAOYSA-N 0 2 401.423 3.676 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000531117209 1006003571 /nfs/dbraw/zinc/00/35/71/1006003571.db2.gz YRNPCQWCEGFOTE-UHFFFAOYSA-N 0 2 406.776 3.817 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@H](C[S@@](C)=O)c3ccccc3)=N2)c1 ZINC000531225257 1006057883 /nfs/dbraw/zinc/05/78/83/1006057883.db2.gz RQHBBLAGPOTDHQ-SONOPUAISA-N 0 2 411.527 3.551 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c[nH]c2n1 ZINC000514794061 1006129155 /nfs/dbraw/zinc/12/91/55/1006129155.db2.gz CKJFUQJRZUYSJC-UHFFFAOYSA-N 0 2 416.403 3.625 20 0 HHADLN COc1cc(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2)ccc1Br ZINC000534172358 1006155862 /nfs/dbraw/zinc/15/58/62/1006155862.db2.gz XMCUWMXMAIVPJS-UHFFFAOYSA-N 0 2 408.277 3.649 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1Br ZINC000534205205 1006197362 /nfs/dbraw/zinc/19/73/62/1006197362.db2.gz SGXFWVCQFHRVHU-NSHDSACASA-N 0 2 414.325 3.816 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)Cc1ccc2c(c1)CCC2 ZINC000514899842 1006199219 /nfs/dbraw/zinc/19/92/19/1006199219.db2.gz LGXZWSVAAHXGHM-HSZRJFAPSA-N 0 2 417.553 3.957 20 0 HHADLN O=C(NCc1ccccc1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000534239086 1006244303 /nfs/dbraw/zinc/24/43/03/1006244303.db2.gz UZADJSONZOMCAU-UHFFFAOYSA-N 0 2 420.412 3.835 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NC[C@@H](CCO)c1ccccc1 ZINC000515020486 1006254813 /nfs/dbraw/zinc/25/48/13/1006254813.db2.gz WINIXJFLHHPGKK-OAHLLOKOSA-N 0 2 402.907 3.568 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2)c(Br)c1 ZINC000531527540 1006255463 /nfs/dbraw/zinc/25/54/63/1006255463.db2.gz VZPCQPDKLVTRQT-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1cc(F)c(OC)cc1OC ZINC000531527521 1006256073 /nfs/dbraw/zinc/25/60/73/1006256073.db2.gz STOQKHMGHQQXQS-UHFFFAOYSA-N 0 2 424.494 3.516 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)s3)cc2)nc(C)n1 ZINC000515321124 1006393281 /nfs/dbraw/zinc/39/32/81/1006393281.db2.gz FIVMESZGFUVWHS-UHFFFAOYSA-N 0 2 422.919 3.861 20 0 HHADLN O=S(=O)(Cc1cc2ccccc2o1)c1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000515365125 1006421043 /nfs/dbraw/zinc/42/10/43/1006421043.db2.gz XUHMFRSLPOCMDS-UHFFFAOYSA-N 0 2 403.847 3.757 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1csc(-c2c(F)cccc2F)n1 ZINC000534443149 1006422813 /nfs/dbraw/zinc/42/28/13/1006422813.db2.gz SWGVFVXELVIDJT-UHFFFAOYSA-N 0 2 401.423 3.676 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1c[nH]c2cccc(Br)c21 ZINC000534586868 1006572181 /nfs/dbraw/zinc/57/21/81/1006572181.db2.gz DPLRKYAREAJYMS-UHFFFAOYSA-N 0 2 417.288 3.913 20 0 HHADLN Cc1c([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)nnn1-c1ccc(C)cc1 ZINC000532188574 1006707469 /nfs/dbraw/zinc/70/74/69/1006707469.db2.gz QRUNKYWQHHKFBO-WIYYLYMNSA-N 0 2 424.618 3.585 20 0 HHADLN CCOc1cc(C)ccc1NS(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC ZINC000534881939 1006909725 /nfs/dbraw/zinc/90/97/25/1006909725.db2.gz JTABGQUPYBIMCO-UHFFFAOYSA-N 0 2 404.488 3.552 20 0 HHADLN CC(C)n1ncc2cc(NS(=O)(=O)c3cc(F)ccc3Br)cnc21 ZINC000532498392 1006939935 /nfs/dbraw/zinc/93/99/35/1006939935.db2.gz LKSYCRGKLYJAEM-UHFFFAOYSA-N 0 2 413.272 3.715 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2cccc(CO)c2)cc1 ZINC000534989974 1007049648 /nfs/dbraw/zinc/04/96/48/1007049648.db2.gz GSUWEJOTIPZCCN-UHFFFAOYSA-N 0 2 402.497 3.602 20 0 HHADLN CN1CC[C@@H](NC(=O)c2cccc(Br)c2O)[C@H]1c1ccc(F)c(F)c1 ZINC000535023724 1007069239 /nfs/dbraw/zinc/06/92/39/1007069239.db2.gz QWUFEOOWLIUPSE-HZPDHXFCSA-N 0 2 411.246 3.608 20 0 HHADLN Cc1nc([C@H](NS(=O)(=O)c2c(F)cc(F)cc2F)c2ccc(Cl)cc2)no1 ZINC000538847152 1007120670 /nfs/dbraw/zinc/12/06/70/1007120670.db2.gz WPOSIEBCAJDYHY-CQSZACIVSA-N 0 2 417.796 3.517 20 0 HHADLN Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3ccc(Br)c(F)c3)c2C)o1 ZINC000532768184 1007171103 /nfs/dbraw/zinc/17/11/03/1007171103.db2.gz FBQJVEGXQFRSIL-UHFFFAOYSA-N 0 2 414.256 3.989 20 0 HHADLN Cn1c(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cc2cc(C(F)(F)F)ccc21 ZINC000535181136 1007226638 /nfs/dbraw/zinc/22/66/38/1007226638.db2.gz HWSRYTHTIWMBRA-UHFFFAOYSA-N 0 2 403.389 3.785 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)c(C)o1 ZINC000532850409 1007237869 /nfs/dbraw/zinc/23/78/69/1007237869.db2.gz JGQLHLOQGRRVRB-UHFFFAOYSA-N 0 2 402.428 3.671 20 0 HHADLN OC(=COC(c1ccccc1)c1ccccc1)Nc1nc(-c2cccnc2)ns1 ZINC000535231485 1007284499 /nfs/dbraw/zinc/28/44/99/1007284499.db2.gz ROUZCJYYGCJCPR-UHFFFAOYSA-N 0 2 402.479 3.767 20 0 HHADLN O=C(COC(c1ccccc1)c1ccccc1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535231485 1007284507 /nfs/dbraw/zinc/28/45/07/1007284507.db2.gz ROUZCJYYGCJCPR-UHFFFAOYSA-N 0 2 402.479 3.767 20 0 HHADLN CC(C)Oc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)ns2)cc1 ZINC000539110572 1007396720 /nfs/dbraw/zinc/39/67/20/1007396720.db2.gz MNNVZOHLZIYVGQ-UHFFFAOYSA-N 0 2 409.920 3.868 20 0 HHADLN COCC1(C)CCN(C(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)CC1 ZINC000539136643 1007432186 /nfs/dbraw/zinc/43/21/86/1007432186.db2.gz FRKAULZNTCGZDZ-UHFFFAOYSA-N 0 2 422.572 3.746 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1Cl ZINC000517157939 1007468285 /nfs/dbraw/zinc/46/82/85/1007468285.db2.gz ANNGMMZFYYJGHQ-UHFFFAOYSA-N 0 2 408.842 3.628 20 0 HHADLN O=C(Nc1ccc(Cl)cc1O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000533159013 1007496799 /nfs/dbraw/zinc/49/67/99/1007496799.db2.gz CUKLPIQCOCOIRI-UHFFFAOYSA-N 0 2 409.876 3.555 20 0 HHADLN CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc3ccc(CC)cc3s2)cc1 ZINC000517198842 1007499938 /nfs/dbraw/zinc/49/99/38/1007499938.db2.gz VIRLNTFHJOLNFT-UHFFFAOYSA-N 0 2 424.569 3.843 20 0 HHADLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(-c3ccccc3)cnc2C)c1 ZINC000535508378 1007563559 /nfs/dbraw/zinc/56/35/59/1007563559.db2.gz RYTVEZMHDXGIRB-UHFFFAOYSA-N 0 2 412.467 3.653 20 0 HHADLN COc1cc(CN(C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)C2CC2)ccc1O ZINC000535639224 1007644770 /nfs/dbraw/zinc/64/47/70/1007644770.db2.gz GECHYCIMNPSINR-UHFFFAOYSA-N 0 2 411.433 3.544 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(Oc2cccnc2)nc1 ZINC000517428337 1007650935 /nfs/dbraw/zinc/65/09/35/1007650935.db2.gz LGMZIXBMYPJGEO-UHFFFAOYSA-N 0 2 401.492 3.539 20 0 HHADLN Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)c(C)c1 ZINC000535738275 1007766440 /nfs/dbraw/zinc/76/64/40/1007766440.db2.gz YAGAESOOZKJKBU-UHFFFAOYSA-N 0 2 416.528 3.527 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c(Cl)c1 ZINC000517616970 1007823121 /nfs/dbraw/zinc/82/31/21/1007823121.db2.gz QMHHIOVWKNANRQ-UHFFFAOYSA-N 0 2 413.883 3.731 20 0 HHADLN O=C(c1cc2ccccc2n1Cc1ccccc1F)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000535837165 1007847880 /nfs/dbraw/zinc/84/78/80/1007847880.db2.gz AAPLWOADDUYZBI-UHFFFAOYSA-N 0 2 419.460 3.672 20 0 HHADLN Cc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)nn1-c1ccccc1Cl ZINC000539549907 1007862271 /nfs/dbraw/zinc/86/22/71/1007862271.db2.gz ZHDONDRLHCSNDO-UHFFFAOYSA-N 0 2 413.890 3.817 20 0 HHADLN CCc1nc(-c2ccccc2NS(=O)(=O)c2ccccc2Br)n[nH]1 ZINC000535895096 1007915430 /nfs/dbraw/zinc/91/54/30/1007915430.db2.gz PQSPYLGPYPVILR-UHFFFAOYSA-N 0 2 407.293 3.597 20 0 HHADLN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3cccnc3-c3ccccc3)cc2o1 ZINC000533625552 1007927824 /nfs/dbraw/zinc/92/78/24/1007927824.db2.gz PVRNGEBASOVKLC-UHFFFAOYSA-N 0 2 401.831 3.637 20 0 HHADLN Cc1cc(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)no1 ZINC000518026599 1008112515 /nfs/dbraw/zinc/11/25/15/1008112515.db2.gz XXVHRDHXBOAUSK-UHFFFAOYSA-N 0 2 409.826 3.829 20 0 HHADLN O=C(CSCc1cc(=O)n2ccsc2n1)Nc1cc(Cl)cc(Cl)c1O ZINC000536094924 1008117533 /nfs/dbraw/zinc/11/75/33/1008117533.db2.gz IHDKLVVMQVIYDR-UHFFFAOYSA-N 0 2 416.311 3.640 20 0 HHADLN CCN(CC)C(=O)Cc1ccc(NC(=O)c2cccc(Br)c2O)cc1 ZINC000518048905 1008127492 /nfs/dbraw/zinc/12/74/92/1008127492.db2.gz YSMACDFMKSNWFI-UHFFFAOYSA-N 0 2 405.292 3.818 20 0 HHADLN COC(=O)c1ccc(NC(=O)c2cccc(Br)c2O)c(OC(F)F)c1 ZINC000539844705 1008135162 /nfs/dbraw/zinc/13/51/62/1008135162.db2.gz MYCJFNFOGPJRLY-UHFFFAOYSA-N 0 2 416.174 3.795 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc3[nH]c(-c4cccs4)nc3c2)c(C)o1 ZINC000533939794 1008220161 /nfs/dbraw/zinc/22/01/61/1008220161.db2.gz VPFURUQBMGMJCV-UHFFFAOYSA-N 0 2 417.468 3.780 20 0 HHADLN COc1ccccc1COc1cccc(NS(=O)(=O)c2c(C)n[nH]c2C)c1C ZINC000533952271 1008229221 /nfs/dbraw/zinc/22/92/21/1008229221.db2.gz XJBZYUHZXFCPDZ-UHFFFAOYSA-N 0 2 401.488 3.723 20 0 HHADLN CC(C)c1cc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)n(-c2ccccc2)n1 ZINC000518451986 1008312901 /nfs/dbraw/zinc/31/29/01/1008312901.db2.gz WZPHRMUONQTMQK-UHFFFAOYSA-N 0 2 413.425 3.555 20 0 HHADLN COC(=O)c1cccc(CS(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)c1 ZINC000540203880 1008334798 /nfs/dbraw/zinc/33/47/98/1008334798.db2.gz AIEMMHOZRGLKNC-UHFFFAOYSA-N 0 2 414.508 3.637 20 0 HHADLN CCCCCn1c(SCc2n[nH]c(=O)[nH]2)nc2sc3c(c2c1=O)CCCC3 ZINC000540349521 1008392405 /nfs/dbraw/zinc/39/24/05/1008392405.db2.gz WQUCDNYJLSWCDB-UHFFFAOYSA-N 0 2 405.549 3.643 20 0 HHADLN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000540469525 1008443992 /nfs/dbraw/zinc/44/39/92/1008443992.db2.gz XLJSNCLJYZMCCM-VQIMIIECSA-N 0 2 401.825 3.630 20 0 HHADLN O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000540469523 1008444053 /nfs/dbraw/zinc/44/40/53/1008444053.db2.gz XLJSNCLJYZMCCM-LPHOPBHVSA-N 0 2 401.825 3.630 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1cc(F)ccc1N1CCOCC1 ZINC000518909765 1008469680 /nfs/dbraw/zinc/46/96/80/1008469680.db2.gz DEGVRGKKBNPVQR-UHFFFAOYSA-N 0 2 418.881 3.508 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cc(Cl)ccc1SC ZINC000519016033 1008502109 /nfs/dbraw/zinc/50/21/09/1008502109.db2.gz NQIPUHMFKRHXOJ-UHFFFAOYSA-N 0 2 400.909 3.830 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cnn1-c1ccccc1 ZINC000543023569 1008605392 /nfs/dbraw/zinc/60/53/92/1008605392.db2.gz XITRUCLUKSBKHS-UHFFFAOYSA-N 0 2 424.526 3.900 20 0 HHADLN O=S(=O)(Nc1ccc(OCc2cn3ccccc3n2)cc1)c1cccc(F)c1F ZINC000519265426 1008673239 /nfs/dbraw/zinc/67/32/39/1008673239.db2.gz SGBIRIHLGOGQCK-UHFFFAOYSA-N 0 2 415.421 3.992 20 0 HHADLN CC(C)Cn1ncc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)c1C(F)F ZINC000543163085 1008737732 /nfs/dbraw/zinc/73/77/32/1008737732.db2.gz ZKJSHSQGOQOTRA-UHFFFAOYSA-N 0 2 409.405 3.921 20 0 HHADLN CSc1[nH]c(=O)c(C(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cc1C#N ZINC000519334811 1008741567 /nfs/dbraw/zinc/74/15/67/1008741567.db2.gz LVYTZPUIBFGKEU-UHFFFAOYSA-N 0 2 411.512 3.810 20 0 HHADLN C[C@@H](C(F)(F)F)S(=O)(=O)NCCOc1c(Cl)cc(Cl)cc1Cl ZINC000546059633 1009082916 /nfs/dbraw/zinc/08/29/16/1009082916.db2.gz PIDCMGPXPADTBH-LURJTMIESA-N 0 2 400.633 3.896 20 0 HHADLN CCSCc1ccnc(NS(=O)(=O)c2cc(Br)cc(OC)c2)c1 ZINC000546173822 1009205121 /nfs/dbraw/zinc/20/51/21/1009205121.db2.gz UYJAVKLNJUCYJU-UHFFFAOYSA-N 0 2 417.350 3.907 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc3ncccc3c2)cnn1-c1cc(C)ccn1 ZINC000546179507 1009209331 /nfs/dbraw/zinc/20/93/31/1009209331.db2.gz SMYBINFKCMKGKT-UHFFFAOYSA-N 0 2 407.499 3.877 20 0 HHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)s1 ZINC000546179492 1009209426 /nfs/dbraw/zinc/20/94/26/1009209426.db2.gz RJCLEHKFYZCBNX-UHFFFAOYSA-N 0 2 420.556 3.886 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](C)c3ccc(-n4cccn4)cc3)s[nH]2)c1 ZINC000543616715 1009221487 /nfs/dbraw/zinc/22/14/87/1009221487.db2.gz NJRCBJZPRYNWES-AWEZNQCLSA-N 0 2 420.498 3.704 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](C)c3noc(-c4ccccc4)n3)s[nH]2)c1 ZINC000543617536 1009223961 /nfs/dbraw/zinc/22/39/61/1009223961.db2.gz ZPFZDJDYJYABLY-LBPRGKRZSA-N 0 2 422.470 3.568 20 0 HHADLN [O-]c1c(Br)cccc1-c1nc(-c2cccc(C[NH+]3CCOCC3)c2)no1 ZINC000543636333 1009241214 /nfs/dbraw/zinc/24/12/14/1009241214.db2.gz ZUYHSKAJKDBLPI-UHFFFAOYSA-N 0 2 416.275 3.704 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCC(n2cc(Cl)cn2)CC1 ZINC000543652392 1009257133 /nfs/dbraw/zinc/25/71/33/1009257133.db2.gz FVXHNKYZNRKTIF-UHFFFAOYSA-N 0 2 423.329 3.999 20 0 HHADLN C[C@H](O)CN(Cc1ccccc1)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000543656738 1009263629 /nfs/dbraw/zinc/26/36/29/1009263629.db2.gz LPEOXEQDZLAFLA-ZDUSSCGKSA-N 0 2 402.907 3.695 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N[C@H]1CCO[C@H]1c1ccccc1 ZINC000543658110 1009265578 /nfs/dbraw/zinc/26/55/78/1009265578.db2.gz SWYNAWWUZGXPCX-HOTGVXAUSA-N 0 2 400.891 3.932 20 0 HHADLN O=S(=O)(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cccc(Cl)c1F ZINC000520187322 1009329814 /nfs/dbraw/zinc/32/98/14/1009329814.db2.gz IQAJKWFYKOXHIJ-UHFFFAOYSA-N 0 2 406.870 3.875 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)cc1F ZINC000520200098 1009338516 /nfs/dbraw/zinc/33/85/16/1009338516.db2.gz VUSGLLBUKJCGPW-UHFFFAOYSA-N 0 2 413.833 3.672 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cn1 ZINC000543789723 1009358453 /nfs/dbraw/zinc/35/84/53/1009358453.db2.gz BMWFFQYORUZSQE-UHFFFAOYSA-N 0 2 411.455 3.607 20 0 HHADLN O=C(c1ccc(-c2cc(F)c(F)c(F)c2)cc1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000549764027 1009380354 /nfs/dbraw/zinc/38/03/54/1009380354.db2.gz QCSYYSMKYSIRON-ZDUSSCGKSA-N 0 2 402.376 3.614 20 0 HHADLN O=S(=O)(Nc1cccc(-c2ccc3c(c2)OCCO3)n1)c1cccc(Cl)c1 ZINC000520280765 1009398326 /nfs/dbraw/zinc/39/83/26/1009398326.db2.gz ZCTYHCONNDXLHD-UHFFFAOYSA-N 0 2 402.859 3.974 20 0 HHADLN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000520291887 1009415646 /nfs/dbraw/zinc/41/56/46/1009415646.db2.gz NVMQVUJQXYELIH-MRXNPFEDSA-N 0 2 414.556 3.780 20 0 HHADLN O=S(=O)(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(C(F)(F)F)nc1 ZINC000543865376 1009431878 /nfs/dbraw/zinc/43/18/78/1009431878.db2.gz LNLGWAVJOFVPRC-ZDUSSCGKSA-N 0 2 416.421 3.849 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(-c3nc([C@@H]4C[C@@H]4C)no3)ccc2F)cc1 ZINC000546479087 1009500313 /nfs/dbraw/zinc/50/03/13/1009500313.db2.gz OYCAXVDSVGRQCR-XHDPSFHLSA-N 0 2 403.435 3.809 20 0 HHADLN O=S(=O)(Nc1c[nH]nc1-c1ccccc1F)c1ccc(OC(F)F)c(F)c1 ZINC000549998420 1009597179 /nfs/dbraw/zinc/59/71/79/1009597179.db2.gz RYELBXMSFQYONY-UHFFFAOYSA-N 0 2 401.341 3.757 20 0 HHADLN O=C1Nc2ccc(S(=O)(=O)Nc3c[nH]nc3-c3ccccc3F)c3cccc1c23 ZINC000550048894 1009647967 /nfs/dbraw/zinc/64/79/67/1009647967.db2.gz OOLJMLNQSXVHTA-UHFFFAOYSA-N 0 2 408.414 3.736 20 0 HHADLN Cc1ccc(Sc2ncccc2C(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)c(C)c1 ZINC000550159066 1009740300 /nfs/dbraw/zinc/74/03/00/1009740300.db2.gz HZRWWBBQQINBBX-OAHLLOKOSA-N 0 2 409.515 3.693 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)n(-c2ccc(Cl)cc2)n1 ZINC000520699599 1009766740 /nfs/dbraw/zinc/76/67/40/1009766740.db2.gz UGUYNWDMRPOWHO-CYBMUJFWSA-N 0 2 403.891 3.958 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3cc(F)cc(Cl)c3)s2)c1 ZINC000550220390 1009785025 /nfs/dbraw/zinc/78/50/25/1009785025.db2.gz JVWZPVDJPQANCD-UHFFFAOYSA-N 0 2 413.883 3.731 20 0 HHADLN CCCc1c(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cnn1-c1ccccc1 ZINC000544206416 1009813080 /nfs/dbraw/zinc/81/30/80/1009813080.db2.gz YBPQNDAAXSQNRS-UHFFFAOYSA-N 0 2 407.499 3.807 20 0 HHADLN CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000546857298 1009817664 /nfs/dbraw/zinc/81/76/64/1009817664.db2.gz JXVOARKZPXZRSD-NSHDSACASA-N 0 2 403.287 3.782 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(C)cc2)cc1OCC ZINC000550436006 1009936091 /nfs/dbraw/zinc/93/60/91/1009936091.db2.gz BOURYYDGSGHPBL-UHFFFAOYSA-N 0 2 415.515 3.838 20 0 HHADLN O=C(CC[C@@H]1Cc2ccccc2NC1=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000520966844 1010011125 /nfs/dbraw/zinc/01/11/25/1010011125.db2.gz HLSPZBZKSCIJRX-CQSZACIVSA-N 0 2 412.902 3.810 20 0 HHADLN OC(=Cc1csc(-c2cccnc2)n1)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000520971977 1010015838 /nfs/dbraw/zinc/01/58/38/1010015838.db2.gz QWYFJSBWXGTHEY-UHFFFAOYSA-N 0 2 413.915 3.980 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1cc(OC)c(OC)cc1C ZINC000520981422 1010021301 /nfs/dbraw/zinc/02/13/01/1010021301.db2.gz HRSUDWVLPFPLLA-UHFFFAOYSA-N 0 2 421.496 3.814 20 0 HHADLN O=C(NCCCCNc1cccc[nH+]1)c1nn(-c2ccccc2C(F)(F)F)cc1[O-] ZINC000521052841 1010075421 /nfs/dbraw/zinc/07/54/21/1010075421.db2.gz HUPCPSWXOFZGHQ-UHFFFAOYSA-N 0 2 419.407 3.614 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCCCn3c(C)nc4ccccc43)s[nH]2)c1 ZINC000544591180 1010217458 /nfs/dbraw/zinc/21/74/58/1010217458.db2.gz WHHFLFIFIDMSEM-UHFFFAOYSA-N 0 2 422.514 3.506 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)s[nH]2)c1 ZINC000544594584 1010220720 /nfs/dbraw/zinc/22/07/20/1010220720.db2.gz QCYYDORQMDPATD-HOCLYGCPSA-N 0 2 404.536 3.598 20 0 HHADLN Cc1ccc2nc(NS(=O)(=O)c3cc4c5c(c3)CCC(=O)N5CCC4)sc2c1 ZINC000544622849 1010246906 /nfs/dbraw/zinc/24/69/06/1010246906.db2.gz WUEYYWORJFHGFV-UHFFFAOYSA-N 0 2 413.524 3.631 20 0 HHADLN CN(C[C@@H]1COc2ccccc2O1)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000544635502 1010259169 /nfs/dbraw/zinc/25/91/69/1010259169.db2.gz OKVYJGMFYNGMAC-CQSZACIVSA-N 0 2 416.890 3.584 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1ccc(Cn2cccn2)cc1 ZINC000544635311 1010259585 /nfs/dbraw/zinc/25/95/85/1010259585.db2.gz KIGXZNQYMWVGJN-UHFFFAOYSA-N 0 2 424.917 3.847 20 0 HHADLN COc1cccc(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c1OC ZINC000544636292 1010260229 /nfs/dbraw/zinc/26/02/29/1010260229.db2.gz IYNOISBFLKNCHC-UHFFFAOYSA-N 0 2 404.879 3.619 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1cnn(Cc2ccccc2)c1 ZINC000544636816 1010261070 /nfs/dbraw/zinc/26/10/70/1010261070.db2.gz CDBHSPWPDUQEGT-UHFFFAOYSA-N 0 2 424.917 3.847 20 0 HHADLN O=S(=O)(Nc1nsc(-c2ccccc2)n1)c1cccc(OC(F)(F)F)c1 ZINC000551019466 1010321032 /nfs/dbraw/zinc/32/10/32/1010321032.db2.gz IITMOKZTMNGQNP-UHFFFAOYSA-N 0 2 401.391 3.905 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cccc(Br)c2Cl)cc1F ZINC000551108660 1010374451 /nfs/dbraw/zinc/37/44/51/1010374451.db2.gz SDNNCSOUPFWLOJ-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1)c1cnn(CC(F)F)c1 ZINC000551109071 1010375050 /nfs/dbraw/zinc/37/50/50/1010375050.db2.gz XYOZRVQBALTDTP-UHFFFAOYSA-N 0 2 421.404 3.631 20 0 HHADLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1ccc(-c2cnc(C)o2)cc1 ZINC000551110466 1010376151 /nfs/dbraw/zinc/37/61/51/1010376151.db2.gz WFNORPUKGZWQHJ-UHFFFAOYSA-N 0 2 406.847 3.891 20 0 HHADLN CC(C)(C)S(=O)(=O)Cc1cccc(NS(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000551116804 1010379873 /nfs/dbraw/zinc/37/98/73/1010379873.db2.gz ICZAPIXOLFNHKL-UHFFFAOYSA-N 0 2 419.927 3.993 20 0 HHADLN Cc1c(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c2ccccc2n1C ZINC000551215146 1010444650 /nfs/dbraw/zinc/44/46/50/1010444650.db2.gz OAUHIZOOTPUYBH-IBGZPJMESA-N 0 2 421.526 3.798 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000544921436 1010494628 /nfs/dbraw/zinc/49/46/28/1010494628.db2.gz ZXHBCBAQDCRWAH-UHFFFAOYSA-N 0 2 402.432 3.800 20 0 HHADLN COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1cccc2cc[nH]c21 ZINC000548150160 1010546273 /nfs/dbraw/zinc/54/62/73/1010546273.db2.gz WVZLXFGJEASYOS-UHFFFAOYSA-N 0 2 409.261 3.518 20 0 HHADLN COCn1nc(C)c(S(=O)(=O)Nc2nc(/C=C/c3ccccc3)cs2)c1C ZINC000551384572 1010552177 /nfs/dbraw/zinc/55/21/77/1010552177.db2.gz XBFFLLOYFOCZQP-MDZDMXLPSA-N 0 2 404.517 3.532 20 0 HHADLN COCc1nc(NS(=O)(=O)c2ccccc2-c2ccccc2)sc1C(=O)OC ZINC000551402899 1010563553 /nfs/dbraw/zinc/56/35/53/1010563553.db2.gz CLQQMCKCUFDUON-UHFFFAOYSA-N 0 2 418.496 3.544 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1nnc(Cc2ccc(Cl)cc2)o1 ZINC000521768985 1010604147 /nfs/dbraw/zinc/60/41/47/1010604147.db2.gz NTNSYKZWSDTJBC-UHFFFAOYSA-N 0 2 409.899 3.509 20 0 HHADLN O=S(=O)(Nc1ccc(COCc2ccccc2)cc1)c1cnn(CC(F)F)c1 ZINC000551475500 1010609940 /nfs/dbraw/zinc/60/99/40/1010609940.db2.gz UEWDUZUQEMNQEM-UHFFFAOYSA-N 0 2 407.442 3.666 20 0 HHADLN COC(=O)c1ccc(Br)c(C)c1NS(=O)(=O)c1cc(C)oc1C ZINC000545184218 1010674966 /nfs/dbraw/zinc/67/49/66/1010674966.db2.gz FZXVWPGACMZQCC-UHFFFAOYSA-N 0 2 402.266 3.555 20 0 HHADLN Cc1ccnc2c1cccc2S(=O)(=O)Nc1nnc(Cc2ccccc2F)s1 ZINC000548610545 1010681772 /nfs/dbraw/zinc/68/17/72/1010681772.db2.gz PHIKFZUKHFJECQ-UHFFFAOYSA-N 0 2 414.487 3.925 20 0 HHADLN CC(C)Cn1ncc2cc(C(=O)N=c3nc(-c4cccc(Cl)c4)[nH]s3)cnc21 ZINC000522121835 1010822598 /nfs/dbraw/zinc/82/25/98/1010822598.db2.gz SXGQNERUOKHCTI-UHFFFAOYSA-N 0 2 412.906 3.933 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccoc3C3CC3)cc2)nc(C)n1 ZINC000540601656 1011255581 /nfs/dbraw/zinc/25/55/81/1011255581.db2.gz HVVQCDNKSVISMF-UHFFFAOYSA-N 0 2 412.471 3.617 20 0 HHADLN CC(C)Cc1ccc([C@@H](NC(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)C2CC2)cc1 ZINC000523003207 1011457889 /nfs/dbraw/zinc/45/78/89/1011457889.db2.gz LXOVMNHNBDWLAY-QGZVFWFLSA-N 0 2 414.575 3.662 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCCC2)s[nH]1 ZINC000523036825 1011506480 /nfs/dbraw/zinc/50/64/80/1011506480.db2.gz SZOLIGMLUYSNBU-OAHLLOKOSA-N 0 2 420.966 3.897 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)ccc1F ZINC000523043953 1011512869 /nfs/dbraw/zinc/51/28/69/1011512869.db2.gz WHCAFEUCCJZQOD-UHFFFAOYSA-N 0 2 405.476 3.632 20 0 HHADLN Cc1cccc([C@@H]2CCCCCN2C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)c1 ZINC000523068954 1011539085 /nfs/dbraw/zinc/53/90/85/1011539085.db2.gz GZQCIZVLAMXADB-INIZCTEOSA-N 0 2 400.548 3.648 20 0 HHADLN CC(C)c1nc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cs1 ZINC000523228713 1011718300 /nfs/dbraw/zinc/71/83/00/1011718300.db2.gz UUBJKBYEOJKTNS-UHFFFAOYSA-N 0 2 408.530 3.776 20 0 HHADLN CCc1nc2cc(S(=O)(=O)Nc3nc(CN4CCC(C)CC4)cs3)ccc2o1 ZINC000541083589 1011724423 /nfs/dbraw/zinc/72/44/23/1011724423.db2.gz UYOWKZLIACZFTI-UHFFFAOYSA-N 0 2 420.560 3.879 20 0 HHADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)c1 ZINC000541083693 1011725254 /nfs/dbraw/zinc/72/52/54/1011725254.db2.gz XRGPZEBFERXCTC-UHFFFAOYSA-N 0 2 400.840 3.676 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000541089828 1011733650 /nfs/dbraw/zinc/73/36/50/1011733650.db2.gz OKLCOZJBASMYBC-ZDUSSCGKSA-N 0 2 422.436 3.711 20 0 HHADLN O=C(Cc1cccc(OCc2cccnc2)c1)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000536631238 1011787479 /nfs/dbraw/zinc/78/74/79/1011787479.db2.gz LOCURHBJJNWOKT-UHFFFAOYSA-N 0 2 421.407 3.905 20 0 HHADLN O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)Nc1ccccc1O[C@H]1CCOC1 ZINC000541304693 1012008589 /nfs/dbraw/zinc/00/85/89/1012008589.db2.gz JSDZPKSNGNNSIB-INIZCTEOSA-N 0 2 418.446 3.590 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000551948282 1012030865 /nfs/dbraw/zinc/03/08/65/1012030865.db2.gz KTUYFOXGWIQUAC-UHFFFAOYSA-N 0 2 407.405 3.851 20 0 HHADLN O=C(CCc1cc(F)ccc1Br)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552278641 1012291519 /nfs/dbraw/zinc/29/15/19/1012291519.db2.gz FGZZYCSXUCGEDH-UHFFFAOYSA-N 0 2 405.227 3.650 20 0 HHADLN Cc1sc2ncnc(SCC(=O)Nc3cccc(-c4n[nH]c(=O)[nH]4)c3)c2c1C ZINC000552287692 1012298896 /nfs/dbraw/zinc/29/88/96/1012298896.db2.gz MDAJXFQWSBZKNB-UHFFFAOYSA-N 0 2 412.500 3.530 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 ZINC000523729832 1012347092 /nfs/dbraw/zinc/34/70/92/1012347092.db2.gz OQLOLQLJWZBMDW-OAHLLOKOSA-N 0 2 418.563 3.896 20 0 HHADLN O=c1[nH]nc(CSc2nc3scc(-c4ccco4)c3c(=O)n2-c2ccccc2)[nH]1 ZINC000537047273 1012368263 /nfs/dbraw/zinc/36/82/63/1012368263.db2.gz ZWAMWQAAIOMRRS-UHFFFAOYSA-N 0 2 423.479 3.823 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000523772128 1012410285 /nfs/dbraw/zinc/41/02/85/1012410285.db2.gz YLMWOXIJJSCTEZ-UHFFFAOYSA-N 0 2 411.597 3.570 20 0 HHADLN O=S(=O)(Nc1ccc(N2CCCCC2)cn1)c1ccc(OCC(F)(F)F)cc1 ZINC000523883451 1012584577 /nfs/dbraw/zinc/58/45/77/1012584577.db2.gz RVBUNLVASHEZOF-UHFFFAOYSA-N 0 2 415.437 3.814 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCCc3csc(C(C)(C)C)n3)s[nH]2)c1 ZINC000541756164 1012616550 /nfs/dbraw/zinc/61/65/50/1012616550.db2.gz HFDBTXLTYUKZGG-UHFFFAOYSA-N 0 2 417.560 3.754 20 0 HHADLN COc1ccc(COCCNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1 ZINC000541798571 1012675334 /nfs/dbraw/zinc/67/53/34/1012675334.db2.gz MFFKXGQIWWEGCM-UHFFFAOYSA-N 0 2 418.906 3.627 20 0 HHADLN COc1ccc(OCCN(C)C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1 ZINC000541799907 1012677921 /nfs/dbraw/zinc/67/79/21/1012677921.db2.gz SHHLLHJMYFMVHG-UHFFFAOYSA-N 0 2 418.906 3.832 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)nc1C1CCCC1 ZINC000541825374 1012711948 /nfs/dbraw/zinc/71/19/48/1012711948.db2.gz VGAABAAUKHIJJN-LLVKDONJSA-N 0 2 422.528 3.712 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3[C@H](C)c4ccc(OC)cc4C[C@@H]3C)=N2)cc1 ZINC000541992858 1012868999 /nfs/dbraw/zinc/86/89/99/1012868999.db2.gz MKGOQQNTDQGQMO-LSDHHAIUSA-N 0 2 407.470 3.743 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ncc(C4CCCCC4)s3)cnc2c1Cl ZINC000542003036 1012883957 /nfs/dbraw/zinc/88/39/57/1012883957.db2.gz SFMHZTCCMJSOLF-UHFFFAOYSA-N 0 2 411.940 3.996 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1-n1cccn1)c1ccc(C(F)(F)F)nc1 ZINC000542007766 1012891002 /nfs/dbraw/zinc/89/10/02/1012891002.db2.gz UPIXJGMZFVHZCU-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN COc1cccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000552922178 1012921050 /nfs/dbraw/zinc/92/10/50/1012921050.db2.gz UXHMLYLFXWDMOR-UHFFFAOYSA-N 0 2 417.512 3.524 20 0 HHADLN C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)[C@@H]2CCCC[C@H]21 ZINC000542027347 1012923300 /nfs/dbraw/zinc/92/33/00/1012923300.db2.gz YCTYETVPDTUASK-XOKHGSTOSA-N 0 2 420.560 3.986 20 0 HHADLN O=S(=O)(Nc1cccc(COc2ccc3c(c2)OCO3)c1)c1ccccc1F ZINC000614838581 1071757478 /nfs/dbraw/zinc/75/74/78/1071757478.db2.gz AZAWCLNXKPGKCY-UHFFFAOYSA-N 0 2 401.415 3.934 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000729666764 1071782292 /nfs/dbraw/zinc/78/22/92/1071782292.db2.gz ZEYPBDUXGSQTBQ-UHFFFAOYSA-N 0 2 412.489 3.683 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)ccc1F ZINC000760270117 1071814085 /nfs/dbraw/zinc/81/40/85/1071814085.db2.gz WBXCADLEXMCQBY-UHFFFAOYSA-N 0 2 419.425 3.593 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1cnn(CC(C)C)c1C ZINC000568705290 1071825373 /nfs/dbraw/zinc/82/53/73/1071825373.db2.gz WSOOUCSODKXOKF-FQEVSTJZSA-N 0 2 423.561 3.700 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)NCC(F)(F)c1ccccc1 ZINC001212042619 1071926025 /nfs/dbraw/zinc/92/60/25/1071926025.db2.gz OQRYCVOYYCNNDH-UHFFFAOYSA-N 0 2 424.252 3.850 20 0 HHADLN CC(C)[C@@H]1CCCN1c1ccc(NC(=O)C(C)(C)NC(=O)C(F)(F)F)cc1F ZINC000760490939 1072395309 /nfs/dbraw/zinc/39/53/09/1072395309.db2.gz RLMTWZPFKKMSNN-AWEZNQCLSA-N 0 2 403.420 3.846 20 0 HHADLN O=C1CCCN1c1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1Cl ZINC000729836067 1072407126 /nfs/dbraw/zinc/40/71/26/1072407126.db2.gz LJVHOECODDSSOR-UHFFFAOYSA-N 0 2 404.797 3.685 20 0 HHADLN COC(=O)c1ccc(CS(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)cc1 ZINC000571713455 1072690563 /nfs/dbraw/zinc/69/05/63/1072690563.db2.gz QHJYWTZDBCUBSN-UHFFFAOYSA-N 0 2 420.487 3.602 20 0 HHADLN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1nnc(-c2ccccc2)o1 ZINC000479128243 1072737310 /nfs/dbraw/zinc/73/73/10/1072737310.db2.gz INBZVUCCYYIUQO-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)c(C(F)(F)F)c1 ZINC000479128127 1072737850 /nfs/dbraw/zinc/73/78/50/1072737850.db2.gz JRESAIGQXJTIHF-UHFFFAOYSA-N 0 2 417.331 3.664 20 0 HHADLN O=S(=O)(Nc1nccc(-c2ccco2)n1)c1cc(Br)ccc1Cl ZINC000479130488 1072739827 /nfs/dbraw/zinc/73/98/27/1072739827.db2.gz MXTUZEKYSONBEU-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(C(C)(C)C)s1 ZINC000479131923 1072742319 /nfs/dbraw/zinc/74/23/19/1072742319.db2.gz QDJINXFTIZSUJC-UHFFFAOYSA-N 0 2 419.956 3.705 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc4c(cccc4Cl)s3)cc21 ZINC000479135025 1072746052 /nfs/dbraw/zinc/74/60/52/1072746052.db2.gz HABAQNINPOEYBE-UHFFFAOYSA-N 0 2 407.904 3.660 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)[N-]c1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000479151384 1072773142 /nfs/dbraw/zinc/77/31/42/1072773142.db2.gz DFPJYSUALDWGHU-UHFFFAOYSA-N 0 2 404.532 3.866 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)[N-]c1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000479151384 1072773151 /nfs/dbraw/zinc/77/31/51/1072773151.db2.gz DFPJYSUALDWGHU-UHFFFAOYSA-N 0 2 404.532 3.866 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cccc(Br)c2C)cc1OC ZINC000588834114 1073295852 /nfs/dbraw/zinc/29/58/52/1073295852.db2.gz OEAMTKFTKCVBRS-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1N1CCCCC1)c1cnn(-c2ccccc2)c1 ZINC000588908503 1073320642 /nfs/dbraw/zinc/32/06/42/1073320642.db2.gz NSGWXYCTESWICY-UHFFFAOYSA-N 0 2 400.479 3.803 20 0 HHADLN CC(C)(C)c1nnc(NS(=O)(=O)c2cnc3onc(-c4ccccc4)c3c2)s1 ZINC000555288736 1073322216 /nfs/dbraw/zinc/32/22/16/1073322216.db2.gz ZVEITAPSFLQVNT-UHFFFAOYSA-N 0 2 415.500 3.840 20 0 HHADLN O=c1ccc2cc(S(=O)(=O)Nc3ncc(-c4ccccc4F)s3)ccc2[nH]1 ZINC000555450521 1073501265 /nfs/dbraw/zinc/50/12/65/1073501265.db2.gz VOFFRNMVNRVVSY-UHFFFAOYSA-N 0 2 401.444 3.592 20 0 HHADLN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)c3c(O)cc(F)cc3F)C2)cc1 ZINC000590113046 1073560565 /nfs/dbraw/zinc/56/05/65/1073560565.db2.gz OVDNCZDBZKJVJL-CQSZACIVSA-N 0 2 403.429 3.653 20 0 HHADLN COCCOc1ncccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000590264304 1073719856 /nfs/dbraw/zinc/71/98/56/1073719856.db2.gz FGVIZUCAUDTIDE-UHFFFAOYSA-N 0 2 410.801 3.580 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cnn(-c4ccc(C)cc4)c3C)s[nH]2)c1 ZINC000590554338 1073891013 /nfs/dbraw/zinc/89/10/13/1073891013.db2.gz YRZDUKIUJDHGBD-UHFFFAOYSA-N 0 2 405.483 3.690 20 0 HHADLN Cc1ccc(Cl)c(S(=O)(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1Cl ZINC000615183223 1074097284 /nfs/dbraw/zinc/09/72/84/1074097284.db2.gz AZRRHGIQFFWDNZ-UHFFFAOYSA-N 0 2 418.327 3.833 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cnc(C2CC2)s1 ZINC000591666724 1074464127 /nfs/dbraw/zinc/46/41/27/1074464127.db2.gz MOTNLDTWFYNJFW-UHFFFAOYSA-N 0 2 406.514 3.530 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)ccc1F ZINC000591796864 1074546197 /nfs/dbraw/zinc/54/61/97/1074546197.db2.gz LFXQAPHTOQYCPD-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)CCc1ccc(F)cc1 ZINC000574497071 1075285492 /nfs/dbraw/zinc/28/54/92/1075285492.db2.gz PBBZOORHUJONRS-OAQYLSRUSA-N 0 2 409.505 3.998 20 0 HHADLN CC(C)(CO)[C@H](CNC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)c1ccccc1 ZINC000575171115 1075493263 /nfs/dbraw/zinc/49/32/63/1075493263.db2.gz QRMJGWCCRWIFIH-GOSISDBHSA-N 0 2 413.905 3.763 20 0 HHADLN O=C(Nc1cccc(NS(=O)(=O)c2cn[nH]c2)c1)Nc1cccc2c1CCCC2 ZINC000596068783 1075535844 /nfs/dbraw/zinc/53/58/44/1075535844.db2.gz ZYBMXSGYULGFSX-UHFFFAOYSA-N 0 2 411.487 3.733 20 0 HHADLN CC(=O)N[C@@H](CC(=O)N=c1nc(-c2ccsc2)[nH]s1)c1ccc(Cl)cc1 ZINC000596900442 1075594440 /nfs/dbraw/zinc/59/44/40/1075594440.db2.gz MIXBPLTVADEKGL-AWEZNQCLSA-N 0 2 406.920 3.548 20 0 HHADLN CC[C@H](Cc1ccccc1)C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1 ZINC000602106245 1075703050 /nfs/dbraw/zinc/70/30/50/1075703050.db2.gz VYJUILGBQTZNID-OAHLLOKOSA-N 0 2 416.528 3.546 20 0 HHADLN c1ccc(OCc2nnc(CNc3nc4ccccc4nc3N3CCCC3)[nH]2)cc1 ZINC000302228034 971212698 /nfs/dbraw/zinc/21/26/98/971212698.db2.gz ALTGGVZRRTYUER-UHFFFAOYSA-N 0 2 401.474 3.539 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n(Cc2ccccc2)n1 ZINC000303179644 971544995 /nfs/dbraw/zinc/54/49/95/971544995.db2.gz UAUHKLWINHUVPT-UHFFFAOYSA-N 0 2 411.405 3.939 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@H](C)CC3)ccc2F)cc1 ZINC000303349687 971648926 /nfs/dbraw/zinc/64/89/26/971648926.db2.gz FPZKRPSRBFCEEB-HNNXBMFYSA-N 0 2 420.506 3.897 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)CC1CCC1 ZINC000303511034 971811322 /nfs/dbraw/zinc/81/13/22/971811322.db2.gz OPMPCCZJBSFRPD-UHFFFAOYSA-N 0 2 405.476 3.641 20 0 HHADLN CN(C)c1cccc2c1cccc2S(=O)(=O)Nc1ccc(Br)cn1 ZINC000000835942 960456875 /nfs/dbraw/zinc/45/68/75/960456875.db2.gz CLEFKCFLXWSUFJ-UHFFFAOYSA-N 0 2 406.305 3.864 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(C(C)=O)cc2)cnn1-c1cccc(F)c1 ZINC000542237190 1013195300 /nfs/dbraw/zinc/19/53/00/1013195300.db2.gz XZAAIIMGCADDLS-UHFFFAOYSA-N 0 2 401.463 3.967 20 0 HHADLN CCc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)cc1Cl ZINC000553233253 1013198896 /nfs/dbraw/zinc/19/88/96/1013198896.db2.gz WTPSTOUUUDVMQG-UHFFFAOYSA-N 0 2 424.935 3.751 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)Nc3ccccc3F)c2)cc1 ZINC000537650033 1013211893 /nfs/dbraw/zinc/21/18/93/1013211893.db2.gz YJPIYFNZECZGNZ-UHFFFAOYSA-N 0 2 416.430 3.593 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)c1 ZINC000007055952 960997304 /nfs/dbraw/zinc/99/73/04/960997304.db2.gz FDIZITUOTCAKLX-UHFFFAOYSA-N 0 2 404.410 3.589 20 0 HHADLN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2ccc(-c3ccccc3F)o2)C1=O ZINC000008159820 961453484 /nfs/dbraw/zinc/45/34/84/961453484.db2.gz MWSMLWDFCXVTOP-JOCHJYFZSA-N 0 2 407.401 3.588 20 0 HHADLN Cc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O)n1 ZINC000010431201 961821052 /nfs/dbraw/zinc/82/10/52/961821052.db2.gz ZGYSXKMTJGYVAT-UHFFFAOYSA-N 0 2 417.874 3.802 20 0 HHADLN Cc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)n1 ZINC000010431200 961821355 /nfs/dbraw/zinc/82/13/55/961821355.db2.gz HKBLNLKVCMYZIY-UHFFFAOYSA-N 0 2 417.874 3.802 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)COc1ccccc1-c1ccccc1 ZINC000010720975 961894155 /nfs/dbraw/zinc/89/41/55/961894155.db2.gz YBXSJDIDUKNFQZ-UHFFFAOYSA-N 0 2 405.479 3.689 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NCc3csc(-c4ccccc4)n3)cc2[nH]c1=S ZINC000010894073 961940658 /nfs/dbraw/zinc/94/06/58/961940658.db2.gz WDWPPFAEBSJUJL-UHFFFAOYSA-N 0 2 422.535 3.759 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2[nH]c1=S ZINC000011750470 962178988 /nfs/dbraw/zinc/17/89/88/962178988.db2.gz KEGAKOGRACHIFB-UHFFFAOYSA-N 0 2 423.538 3.557 20 0 HHADLN Cc1sc2ncn(NC(=O)c3csc(-c4ccc(F)cc4)n3)c(=O)c2c1C ZINC000015532349 962783547 /nfs/dbraw/zinc/78/35/47/962783547.db2.gz URWYWMBKQGPPNH-UHFFFAOYSA-N 0 2 400.460 3.721 20 0 HHADLN O=S(=O)(Nc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000016097056 962943053 /nfs/dbraw/zinc/94/30/53/962943053.db2.gz VNNSFFZYPHTUFH-UHFFFAOYSA-N 0 2 424.450 3.566 20 0 HHADLN Cc1nn(C(C)(C)C)cc1C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000542451888 1013400080 /nfs/dbraw/zinc/40/00/80/1013400080.db2.gz JKENJHMFFGMACH-UHFFFAOYSA-N 0 2 421.274 3.886 20 0 HHADLN O=S(=O)(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1cc(F)ccc1F ZINC000022759111 963709900 /nfs/dbraw/zinc/70/99/00/963709900.db2.gz NFDQURPMSBSEND-UHFFFAOYSA-N 0 2 422.432 3.890 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccccc1NC(=O)c1cccs1 ZINC000022876406 963731816 /nfs/dbraw/zinc/73/18/16/963731816.db2.gz KPJVYJILFPTLCW-UHFFFAOYSA-N 0 2 424.507 3.571 20 0 HHADLN CC(C)c1c(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cnn1-c1ccccc1 ZINC000024449990 964001592 /nfs/dbraw/zinc/00/15/92/964001592.db2.gz VWQVKHFNAWELKO-UHFFFAOYSA-N 0 2 407.499 3.566 20 0 HHADLN N#C[C@@H](C(=O)CCSc1ccc(F)cc1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049392605 964164905 /nfs/dbraw/zinc/16/49/05/964164905.db2.gz FINUPVXETAUXKK-INIZCTEOSA-N 0 2 408.462 3.695 20 0 HHADLN C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000050289115 964301994 /nfs/dbraw/zinc/30/19/94/964301994.db2.gz PKWQIRHZFPHLQT-LLVKDONJSA-N 0 2 419.865 3.831 20 0 HHADLN Cc1cc(C(=O)NCC(C)C)ccc1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000050534042 964347969 /nfs/dbraw/zinc/34/79/69/964347969.db2.gz RLHXJVYWLOKBNF-UHFFFAOYSA-N 0 2 400.422 3.599 20 0 HHADLN O=C(CCOc1ccccc1)NNC(=O)c1cnc(-c2ccccc2Cl)s1 ZINC000050630372 964367663 /nfs/dbraw/zinc/36/76/63/964367663.db2.gz XMSJROVYBUZOKZ-UHFFFAOYSA-N 0 2 401.875 3.694 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)NC3(c4ccc(F)cc4)CCC3)cc2[nH]c1=S ZINC000051419307 964564516 /nfs/dbraw/zinc/56/45/16/964564516.db2.gz NFUKPSOIEAIMKM-UHFFFAOYSA-N 0 2 409.486 3.820 20 0 HHADLN CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)c1 ZINC000026534511 964593686 /nfs/dbraw/zinc/59/36/86/964593686.db2.gz KVBHLJRBQJBWDE-UHFFFAOYSA-N 0 2 413.879 3.725 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccn2)ccc1Cl ZINC000027654162 964938770 /nfs/dbraw/zinc/93/87/70/964938770.db2.gz QIBHHZMJJGASID-UHFFFAOYSA-N 0 2 417.874 3.797 20 0 HHADLN COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)cc1Br ZINC000028197912 965056841 /nfs/dbraw/zinc/05/68/41/965056841.db2.gz LQNSWOFCYLFJJL-UHFFFAOYSA-N 0 2 418.696 3.998 20 0 HHADLN N#Cc1c(SCC(=O)OCCOc2ccc(F)cc2)[nH]c(=O)cc1C(F)(F)F ZINC000028307572 965072071 /nfs/dbraw/zinc/07/20/71/965072071.db2.gz HECURTIGKKEOBL-UHFFFAOYSA-N 0 2 416.352 3.531 20 0 HHADLN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)o1 ZINC000053367708 965146027 /nfs/dbraw/zinc/14/60/27/965146027.db2.gz HIJWVQASEKLNKT-BEFAXECRSA-N 0 2 408.454 3.969 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 ZINC000028778811 965179289 /nfs/dbraw/zinc/17/92/89/965179289.db2.gz RRWRTFFZIGOIOM-UHFFFAOYSA-N 0 2 419.509 3.712 20 0 HHADLN Cc1oncc1C(=O)Nc1cccc(NS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000057119997 965290692 /nfs/dbraw/zinc/29/06/92/965290692.db2.gz VTQZESLXDBHDRH-UHFFFAOYSA-N 0 2 409.826 3.829 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CC(=O)N[C@H]4CCCC[C@@H]4C)nc(=O)c3s2)cc1 ZINC000053852602 965293109 /nfs/dbraw/zinc/29/31/09/965293109.db2.gz MTEKZVUADFGSBV-BBRMVZONSA-N 0 2 411.527 3.898 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c(OCC(=O)N(C)C)c1 ZINC000057124373 965298251 /nfs/dbraw/zinc/29/82/51/965298251.db2.gz DAUGELJGTSSPAF-UHFFFAOYSA-N 0 2 417.314 3.570 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000057126422 965300562 /nfs/dbraw/zinc/30/05/62/965300562.db2.gz RHFBJCRWFVCBEW-UHFFFAOYSA-N 0 2 404.469 3.831 20 0 HHADLN O=C(c1cc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c[nH]1)N1CCCC1 ZINC000029435768 965378757 /nfs/dbraw/zinc/37/87/57/965378757.db2.gz VELKRBKWFVSKOL-UHFFFAOYSA-N 0 2 411.483 3.844 20 0 HHADLN COC(=O)c1ccccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1 ZINC000057431873 965449976 /nfs/dbraw/zinc/44/99/76/965449976.db2.gz HABQWENXUBSPIW-UHFFFAOYSA-N 0 2 424.478 3.835 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1[N+](=O)[O-] ZINC000057692684 965525243 /nfs/dbraw/zinc/52/52/43/965525243.db2.gz ZQWKZXSFPGTORL-UHFFFAOYSA-N 0 2 423.447 3.975 20 0 HHADLN COc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000057722525 965531490 /nfs/dbraw/zinc/53/14/90/965531490.db2.gz ADLGFRKJNPMUTI-UHFFFAOYSA-N 0 2 417.874 3.797 20 0 HHADLN O=S(=O)(Nc1nc2c(cc(F)c(F)c2F)s1)c1ccc2c(c1)OCCCO2 ZINC000057733972 965533964 /nfs/dbraw/zinc/53/39/64/965533964.db2.gz HSOVNGJLIZXWPO-UHFFFAOYSA-N 0 2 416.402 3.676 20 0 HHADLN COc1ccc(-c2nc(SCC(=O)Nc3ccc(C)c(C)c3)[nH]c(=O)c2C#N)cc1 ZINC000030587704 965737580 /nfs/dbraw/zinc/73/75/80/965737580.db2.gz MAOHYVKMLAMKPF-UHFFFAOYSA-N 0 2 420.494 3.665 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H]3CCOC4(CCCCC4)C3)s[nH]2)c1 ZINC000542688434 1013608298 /nfs/dbraw/zinc/60/82/98/1013608298.db2.gz HGWRRFBDCYFHQA-HNNXBMFYSA-N 0 2 402.520 3.639 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CC(Cc4ccccc4Cl)C3)s[nH]2)c1 ZINC000542687014 1013606496 /nfs/dbraw/zinc/60/64/96/1013606496.db2.gz VEAJBZCCBGCMJH-UHFFFAOYSA-N 0 2 414.918 3.995 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C)CCOc3ccccc3Cl)s[nH]2)c1 ZINC000542687514 1013607378 /nfs/dbraw/zinc/60/73/78/1013607378.db2.gz WULPANDDTUHXCV-UHFFFAOYSA-N 0 2 418.906 3.832 20 0 HHADLN CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1Br ZINC000055551198 965911345 /nfs/dbraw/zinc/91/13/45/965911345.db2.gz ASHKVDDECPWMQV-UHFFFAOYSA-N 0 2 402.241 3.566 20 0 HHADLN Cc1ccc(-c2nc(C(=O)Nn3cnc4sc5c(c4c3=O)CCCC5)cs2)o1 ZINC000031210438 965938417 /nfs/dbraw/zinc/93/84/17/965938417.db2.gz RWDVUDJEHMZGEH-UHFFFAOYSA-N 0 2 412.496 3.746 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)NCCc3ccc(OC(C)C)cc3)cc2[nH]c1=S ZINC000031293193 965972318 /nfs/dbraw/zinc/97/23/18/965972318.db2.gz WPCHAANPGJSDPA-UHFFFAOYSA-N 0 2 423.538 3.631 20 0 HHADLN CCCOc1cc(C)ccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000055644595 965988196 /nfs/dbraw/zinc/98/81/96/965988196.db2.gz MAWSUGBCSRNLRT-UHFFFAOYSA-N 0 2 417.936 3.642 20 0 HHADLN C[C@H]1C[C@@H](c2ccccc2)CCN1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000542701018 1013617730 /nfs/dbraw/zinc/61/77/30/1013617730.db2.gz XZPIHMKRWIXLSO-HKUYNNGSSA-N 0 2 405.502 3.861 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc(OS(=O)(=O)c3cccs3)cc2)s1 ZINC000056061233 966198297 /nfs/dbraw/zinc/19/82/97/966198297.db2.gz HTYZFOOWWMCKNJ-UHFFFAOYSA-N 0 2 415.539 3.687 20 0 HHADLN CSc1nc(C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c2ccccn12 ZINC000060561890 966206950 /nfs/dbraw/zinc/20/69/50/966206950.db2.gz UEAMWILTQYKLFQ-UHFFFAOYSA-N 0 2 423.523 3.563 20 0 HHADLN Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000542726113 1013637626 /nfs/dbraw/zinc/63/76/26/1013637626.db2.gz LRGYUQZNIJPBCW-CQSZACIVSA-N 0 2 402.911 3.989 20 0 HHADLN COc1ccc(NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1NC(C)=O ZINC000542727703 1013640328 /nfs/dbraw/zinc/64/03/28/1013640328.db2.gz IOUZUYYDCXJQDO-UHFFFAOYSA-N 0 2 417.878 3.891 20 0 HHADLN N#CC(C(=O)COc1ccc(OCc2ccccc2)cc1)c1nnc2n1CCCCC2 ZINC000060851340 966308691 /nfs/dbraw/zinc/30/86/91/966308691.db2.gz NNKAWAXNEXGYKZ-OAQYLSRUSA-N 0 2 416.481 3.839 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N[C@H](c3ccco3)c3ccccc3)cc2[nH]c1=S ZINC000061442581 966467041 /nfs/dbraw/zinc/46/70/41/966467041.db2.gz IZUZHZZYFSJUKM-FQEVSTJZSA-N 0 2 417.490 3.984 20 0 HHADLN N#CC(C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1nc2ccccc2s1 ZINC000041498569 966581488 /nfs/dbraw/zinc/58/14/88/966581488.db2.gz PWVGAXOJBKZCDB-ROUUACIJSA-N 0 2 403.507 3.954 20 0 HHADLN N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1nc2ccccc2s1 ZINC000041498569 966581516 /nfs/dbraw/zinc/58/15/16/966581516.db2.gz PWVGAXOJBKZCDB-ROUUACIJSA-N 0 2 403.507 3.954 20 0 HHADLN Cc1csc(C(C#N)C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)n1 ZINC000041515289 966584615 /nfs/dbraw/zinc/58/46/15/966584615.db2.gz KMPVSDMTVACPCD-CYBMUJFWSA-N 0 2 402.526 3.570 20 0 HHADLN N#CC(C(=O)Cc1csc(N2CCCC2=O)n1)c1nc(-c2ccccc2)cs1 ZINC000041533922 966590325 /nfs/dbraw/zinc/59/03/25/966590325.db2.gz HNNCKWVTCPVCOF-HNNXBMFYSA-N 0 2 408.508 3.812 20 0 HHADLN CC(=O)c1cccc(O[C@@H](C)C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c1 ZINC000553874040 1013669941 /nfs/dbraw/zinc/66/99/41/1013669941.db2.gz XPFAWTZVGVXRMQ-LBPRGKRZSA-N 0 2 401.875 3.889 20 0 HHADLN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)cc1 ZINC000063149548 966762694 /nfs/dbraw/zinc/76/26/94/966762694.db2.gz CXPPSHPLPGDVJT-UHFFFAOYSA-N 0 2 416.421 3.868 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccccc2COc2ccccc2)c1 ZINC000063179762 966768168 /nfs/dbraw/zinc/76/81/68/966768168.db2.gz ZKZQEBLMOWVJIP-UHFFFAOYSA-N 0 2 415.442 3.992 20 0 HHADLN COc1ccc(CNC(C)=O)cc1S(=O)(=O)Nc1cc(Cl)ccc1SC ZINC000064374809 967159694 /nfs/dbraw/zinc/15/96/94/967159694.db2.gz HFBGITIDAGEZHH-UHFFFAOYSA-N 0 2 414.936 3.507 20 0 HHADLN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)nc1 ZINC000064476500 967202985 /nfs/dbraw/zinc/20/29/85/967202985.db2.gz OLTWNTZZNGZMIR-UHFFFAOYSA-N 0 2 412.467 3.556 20 0 HHADLN CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccc(C)c1C(=O)OC ZINC000064477179 967203218 /nfs/dbraw/zinc/20/32/18/967203218.db2.gz QPAGDTINMIJKJZ-UHFFFAOYSA-N 0 2 417.405 4.000 20 0 HHADLN O=C(NNC(=O)C1CCCC1)c1ccc(COc2cccc(Br)c2)o1 ZINC000044503912 967225105 /nfs/dbraw/zinc/22/51/05/967225105.db2.gz RGBPVKKPNFEIMU-UHFFFAOYSA-N 0 2 407.264 3.572 20 0 HHADLN Cc1cc(Br)oc1C(=O)NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000044881277 967308378 /nfs/dbraw/zinc/30/83/78/967308378.db2.gz WFSFARPCLJXXAX-GFCCVEGCSA-N 0 2 417.259 3.732 20 0 HHADLN O=C(Nc1ccc2c(c1)OCCO2)c1[nH]nc(-c2ccccc2)c1Br ZINC000065094602 967374800 /nfs/dbraw/zinc/37/48/00/967374800.db2.gz DWVIJOPSRKMZFO-UHFFFAOYSA-N 0 2 400.232 3.863 20 0 HHADLN CNC(=O)Nc1cccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 ZINC000065106240 967379261 /nfs/dbraw/zinc/37/92/61/967379261.db2.gz DOYAGEDLGNUOPR-UHFFFAOYSA-N 0 2 414.263 3.843 20 0 HHADLN Cn1ccnc1Sc1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000542935036 1013769010 /nfs/dbraw/zinc/76/90/10/1013769010.db2.gz YQFHOBICEUCZID-UHFFFAOYSA-N 0 2 414.434 3.786 20 0 HHADLN C[C@@H]1CCCN(Cc2csc(NS(=O)(=O)c3ccc(C(F)(F)F)nc3)n2)C1 ZINC000542943204 1013775926 /nfs/dbraw/zinc/77/59/26/1013775926.db2.gz MDMOSEANPONZHQ-LLVKDONJSA-N 0 2 420.482 3.590 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2cccc3c2OCO3)cc1Cl ZINC000542943144 1013776154 /nfs/dbraw/zinc/77/61/54/1013776154.db2.gz ITFVMQZDGDPJCH-UHFFFAOYSA-N 0 2 420.668 3.641 20 0 HHADLN O=S(=O)(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1nc2ccccc2[nH]1 ZINC000047939900 968372107 /nfs/dbraw/zinc/37/21/07/968372107.db2.gz CGCIOPYCUXYGPS-UHFFFAOYSA-N 0 2 408.361 3.606 20 0 HHADLN COc1ccc(-c2nc(CS(=O)(=O)c3nc4ccccc4[nH]3)cs2)c(OC)c1 ZINC000047939923 968372496 /nfs/dbraw/zinc/37/24/96/968372496.db2.gz OQUFTHKLWCGAQO-UHFFFAOYSA-N 0 2 415.496 3.678 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(N(C)C)c(Cl)c3)cc2[nH]c1=S ZINC000048296268 968514395 /nfs/dbraw/zinc/51/43/95/968514395.db2.gz VOTMKAKCSLGNRF-UHFFFAOYSA-N 0 2 414.918 3.843 20 0 HHADLN COc1ccc2c(C)c(CC/C(O)=N/S(=O)(=O)c3cccc(C)c3)c(=O)oc2c1 ZINC000048511448 968583749 /nfs/dbraw/zinc/58/37/49/968583749.db2.gz FZEQDRKLDXBWKQ-UHFFFAOYSA-N 0 2 415.467 3.696 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)Nc3cccc4c3CCCC4)cc2[nH]c1=S ZINC000071828605 968866776 /nfs/dbraw/zinc/86/67/76/968866776.db2.gz DKRFQFMJMGECGH-UHFFFAOYSA-N 0 2 423.538 3.853 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(Cl)cc2)nc1C(F)(F)F ZINC000096760856 969051154 /nfs/dbraw/zinc/05/11/54/969051154.db2.gz JXVYMCOKEJFMGS-UHFFFAOYSA-N 0 2 414.814 3.793 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)c1 ZINC000115877134 969858468 /nfs/dbraw/zinc/85/84/68/969858468.db2.gz LWKSOJNEUWNJQL-UHFFFAOYSA-N 0 2 404.419 3.685 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N[C@H](c3nccs3)c3ccccc3)cc2[nH]c1=S ZINC000216858931 970081782 /nfs/dbraw/zinc/08/17/82/970081782.db2.gz ADMVFNYTJSOZOI-KRWDZBQOSA-N 0 2 422.535 3.681 20 0 HHADLN CN(C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O)c1cccc(C#N)c1 ZINC000149358569 970393874 /nfs/dbraw/zinc/39/38/74/970393874.db2.gz BWANWGFDOBZTKO-UHFFFAOYSA-N 0 2 416.462 3.849 20 0 HHADLN O=C(Nc1ccc(C2CCC2)cn1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000554648021 1014000190 /nfs/dbraw/zinc/00/01/90/1014000190.db2.gz FXPAJGTYWOBOPN-UHFFFAOYSA-N 0 2 414.512 3.859 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3ccccc3N3CCCCC3)cc2[nH]c1=S ZINC000249689726 970529894 /nfs/dbraw/zinc/52/98/94/970529894.db2.gz JQXQLUVYTNOINJ-UHFFFAOYSA-N 0 2 408.527 3.948 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NCCSc3ccc(Cl)cc3)cc2[nH]c1=S ZINC000249691977 970531151 /nfs/dbraw/zinc/53/11/51/970531151.db2.gz MDCCJVUTEYRNQE-UHFFFAOYSA-N 0 2 419.959 3.881 20 0 HHADLN O=C1COc2c(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc(Cl)cc2N1 ZINC000554687019 1014013153 /nfs/dbraw/zinc/01/31/53/1014013153.db2.gz AAGJAPYFLJIBBO-UHFFFAOYSA-N 0 2 407.662 3.779 20 0 HHADLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2cccc(Br)c2F)n1 ZINC000554731341 1014033396 /nfs/dbraw/zinc/03/33/96/1014033396.db2.gz OQLPVMRJXJHWIF-UHFFFAOYSA-N 0 2 400.273 3.619 20 0 HHADLN CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc(Br)cnc2Cl)c1 ZINC000320284448 972679635 /nfs/dbraw/zinc/67/96/35/972679635.db2.gz XICAMHYAMHVFPY-UHFFFAOYSA-N 0 2 418.700 3.565 20 0 HHADLN O=C(Nc1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1)C1CC1 ZINC000326270505 972741207 /nfs/dbraw/zinc/74/12/07/972741207.db2.gz CAMBQLYHBAWFOS-UHFFFAOYSA-N 0 2 413.268 3.738 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)Nc2cncc(F)c2)cc1Br ZINC000380313236 972776726 /nfs/dbraw/zinc/77/67/26/972776726.db2.gz WUXQLLTWNOTGOJ-UHFFFAOYSA-N 0 2 424.089 3.855 20 0 HHADLN Cc1sc(Br)cc1S(=O)(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000390766188 972829173 /nfs/dbraw/zinc/82/91/73/972829173.db2.gz QVTHTICVLWIHDZ-UHFFFAOYSA-N 0 2 412.334 3.865 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cncc(Br)c2)c(C(F)(F)F)c1 ZINC000390862998 972832461 /nfs/dbraw/zinc/83/24/61/972832461.db2.gz LWFSBRZQCLLHRQ-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN Cc1cc(F)ccc1S(=O)(=O)Nc1ccnn1Cc1cccc(Br)c1 ZINC000409457416 972903590 /nfs/dbraw/zinc/90/35/90/972903590.db2.gz RVNQFXJJBOVNOM-UHFFFAOYSA-N 0 2 424.295 3.942 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2cccc(Cl)c2)cn1 ZINC000409470202 972918815 /nfs/dbraw/zinc/91/88/15/972918815.db2.gz MVVUSSMQUZOFDD-UHFFFAOYSA-N 0 2 407.927 3.840 20 0 HHADLN O=S(=O)(Nc1nc(Cc2ccccc2)cs1)c1cnn(Cc2ccccc2)c1 ZINC000409492102 972943107 /nfs/dbraw/zinc/94/31/07/972943107.db2.gz TXVCDBYEHPDTGU-UHFFFAOYSA-N 0 2 410.524 3.780 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)c(C)c1 ZINC000409491798 972943412 /nfs/dbraw/zinc/94/34/12/972943412.db2.gz RSNKERCQKRIKJJ-UHFFFAOYSA-N 0 2 402.497 3.630 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)sc1Cc1cccc(C)c1 ZINC000409541542 972997573 /nfs/dbraw/zinc/99/75/73/972997573.db2.gz UODWHGRGHACYFS-UHFFFAOYSA-N 0 2 415.540 3.559 20 0 HHADLN COc1ccc(Cn2ncc(C)c2NS(=O)(=O)c2cccc(Cl)c2)cc1OC ZINC000409570552 973019659 /nfs/dbraw/zinc/01/96/59/973019659.db2.gz MQGJTNFEXWRMSF-UHFFFAOYSA-N 0 2 421.906 3.711 20 0 HHADLN CC(C)(C)c1cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)n(C(C)(C)C)n1 ZINC000409584257 973033414 /nfs/dbraw/zinc/03/34/14/973033414.db2.gz YBIZAJJCNXAIEQ-UHFFFAOYSA-N 0 2 422.526 3.760 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)cc1OC ZINC000409637834 973086559 /nfs/dbraw/zinc/08/65/59/973086559.db2.gz LGQWXTYYAUQJMR-UHFFFAOYSA-N 0 2 404.391 3.532 20 0 HHADLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3c(C)oc(C)c3C(=O)OC)sc2C1 ZINC000409666375 973123839 /nfs/dbraw/zinc/12/38/39/973123839.db2.gz OBRDNDAUWVUXQJ-LBPRGKRZSA-N 0 2 412.533 3.845 20 0 HHADLN CC1(C)Cc2cccc(S(=O)(=O)Nc3nnc(Cc4ccccc4F)s3)c2O1 ZINC000410334729 973911602 /nfs/dbraw/zinc/91/16/02/973911602.db2.gz XBEPENPVTJMBNV-UHFFFAOYSA-N 0 2 419.503 3.782 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3nc(-c4ccccc4)ns3)c2)n1 ZINC000410341716 973927918 /nfs/dbraw/zinc/92/79/18/973927918.db2.gz WPYLWCQAKANHNY-UHFFFAOYSA-N 0 2 414.537 3.860 20 0 HHADLN NC(=O)c1cccc(S(=O)(=O)Nc2cc(-c3ccsc3)nn2-c2ccccc2)c1 ZINC000410341657 973928251 /nfs/dbraw/zinc/92/82/51/973928251.db2.gz XWCDUEXSGFBQBM-UHFFFAOYSA-N 0 2 424.507 3.501 20 0 HHADLN CC1(C)Oc2ccc(NS(=O)(=O)c3cccc(Br)c3F)cc2O1 ZINC000410366230 973959804 /nfs/dbraw/zinc/95/98/04/973959804.db2.gz NVFLKBDWLAFIJM-UHFFFAOYSA-N 0 2 402.241 3.896 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(Cl)c2OC(C)C)cc1OC ZINC000410382565 973981415 /nfs/dbraw/zinc/98/14/15/973981415.db2.gz LWIRTXSPZSGWTQ-UHFFFAOYSA-N 0 2 413.879 3.723 20 0 HHADLN Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3cccc(Br)c3F)c2C)o1 ZINC000410384827 973983305 /nfs/dbraw/zinc/98/33/05/973983305.db2.gz WEPUXANCZWCEDW-UHFFFAOYSA-N 0 2 414.256 3.989 20 0 HHADLN Cc1cc(-c2ncccc2NS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)cs1 ZINC000410403471 974002995 /nfs/dbraw/zinc/00/29/95/974002995.db2.gz WTZVEGOUBPPRRL-UHFFFAOYSA-N 0 2 407.904 3.672 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1c(F)ccc(Br)c1F ZINC000426303654 974383688 /nfs/dbraw/zinc/38/36/88/974383688.db2.gz NZTHPLNYMFNRJS-UHFFFAOYSA-N 0 2 402.245 3.982 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1)c1ccncn1 ZINC000426601264 974556232 /nfs/dbraw/zinc/55/62/32/974556232.db2.gz RWXNDKGBFIHYRE-UHFFFAOYSA-N 0 2 423.281 3.837 20 0 HHADLN COc1cccc(CSC[C@H]([NH2+]Cc2nc3c(s2)C[C@H](C)CC3)C(=O)[O-])c1 ZINC000426754538 974637386 /nfs/dbraw/zinc/63/73/86/974637386.db2.gz RBXQJTZWBPJSLE-DYVFJYSZSA-N 0 2 406.573 3.753 20 0 HHADLN O=S(=O)(Nc1ccc(-n2cccn2)c(F)c1)c1cccc(OC(F)(F)F)c1F ZINC000427104350 974906998 /nfs/dbraw/zinc/90/69/98/974906998.db2.gz NKZRAVDQNRDDLS-UHFFFAOYSA-N 0 2 419.331 3.850 20 0 HHADLN CCCNC(=O)c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cc1 ZINC000427115572 974916559 /nfs/dbraw/zinc/91/65/59/974916559.db2.gz CDHGLVYKMSXCBG-UHFFFAOYSA-N 0 2 420.384 3.665 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CCS[C@@H](C)CC2)cc1 ZINC000427163596 974949624 /nfs/dbraw/zinc/94/96/24/974949624.db2.gz RVGKIBPVHXLFKC-AWEZNQCLSA-N 0 2 410.586 3.825 20 0 HHADLN CCn1ncc2ccc(NS(=O)(=O)c3cccc(OC(F)(F)F)c3F)cc21 ZINC000427197964 974972344 /nfs/dbraw/zinc/97/23/44/974972344.db2.gz FKFOORMKQJISIO-UHFFFAOYSA-N 0 2 403.357 3.895 20 0 HHADLN CCOC(=O)Cc1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 ZINC000427272088 975017100 /nfs/dbraw/zinc/01/71/00/975017100.db2.gz CETGHGOFOKIRQN-UHFFFAOYSA-N 0 2 421.368 3.631 20 0 HHADLN COc1cccc(Cn2ccc3ccc(NS(=O)(=O)c4cnn(C)c4C)cc32)c1 ZINC000427327448 975055021 /nfs/dbraw/zinc/05/50/21/975055021.db2.gz LOJADVOPWCNMOV-UHFFFAOYSA-N 0 2 410.499 3.541 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NCC(C)(C)c2ccccc2Br)cn1 ZINC000427636899 975219466 /nfs/dbraw/zinc/21/94/66/975219466.db2.gz DPFUARGJUBTORL-UHFFFAOYSA-N 0 2 416.323 3.763 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3ccncc3)c(C)c2)c(OC)c1 ZINC000427652986 975225854 /nfs/dbraw/zinc/22/58/54/975225854.db2.gz GQFDGBCQLITMSE-UHFFFAOYSA-N 0 2 412.467 3.653 20 0 HHADLN O=S(=O)(Nc1nnc(C2CCCCC2)o1)c1cccc(OC(F)(F)F)c1F ZINC000427782519 975285392 /nfs/dbraw/zinc/28/53/92/975285392.db2.gz KNCFEHTXOSEGRD-UHFFFAOYSA-N 0 2 409.361 3.956 20 0 HHADLN COc1ccc(Cn2nccc2NC(=O)N2CC[C@@H](C)C(C)(C)C2)c(OC)c1OC ZINC000429600851 976881623 /nfs/dbraw/zinc/88/16/23/976881623.db2.gz UOYVPVYVMBWLGW-OAHLLOKOSA-N 0 2 416.522 3.857 20 0 HHADLN CCCc1nnc(NS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)o1 ZINC000430082184 977311514 /nfs/dbraw/zinc/31/15/14/977311514.db2.gz RGWHWMBBUFGOEQ-UHFFFAOYSA-N 0 2 415.096 3.892 20 0 HHADLN O=C(c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)N1CC[C@@H]([C@H]2CCOC2)C1 ZINC000430580110 977642453 /nfs/dbraw/zinc/64/24/53/977642453.db2.gz HIUCLTHPADBAIM-SJORKVTESA-N 0 2 404.466 3.819 20 0 HHADLN O=C(Nc1nc(C2CCC2)n[nH]1)c1cnc2c(Cl)cc(Br)cc2c1O ZINC000430586798 977645538 /nfs/dbraw/zinc/64/55/38/977645538.db2.gz ZIEVEURNSFCAHP-UHFFFAOYSA-N 0 2 422.670 3.582 20 0 HHADLN COCCOC1CCN(C(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)CC1 ZINC000430644976 977665984 /nfs/dbraw/zinc/66/59/84/977665984.db2.gz BEAHWCVWOHKVBH-UHFFFAOYSA-N 0 2 422.481 3.588 20 0 HHADLN O=C(N[C@H]1Cc2cccc(O)c2C1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430674482 977685662 /nfs/dbraw/zinc/68/56/62/977685662.db2.gz BHHJAIUSWCLQJW-INIZCTEOSA-N 0 2 412.445 3.923 20 0 HHADLN COC(=O)COc1ccc(NS(=O)(=O)c2sc(C)cc2C)c2ccccc12 ZINC000431173393 978073404 /nfs/dbraw/zinc/07/34/04/978073404.db2.gz QXUAXHMIQNPBQK-UHFFFAOYSA-N 0 2 405.497 3.871 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)cc1OC ZINC000431307611 978193555 /nfs/dbraw/zinc/19/35/55/978193555.db2.gz GZCDNVHAAJAAGA-UHFFFAOYSA-N 0 2 405.501 3.640 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cn1 ZINC000431330098 978215143 /nfs/dbraw/zinc/21/51/43/978215143.db2.gz VEYHHENSVAMCRR-UHFFFAOYSA-N 0 2 415.953 3.501 20 0 HHADLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000432054640 978662721 /nfs/dbraw/zinc/66/27/21/978662721.db2.gz WAFGLVWHXSLCPX-UHFFFAOYSA-N 0 2 400.632 3.872 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(OC)c(F)c2)cnn1-c1ccc(F)cc1 ZINC000432086067 978674438 /nfs/dbraw/zinc/67/44/38/978674438.db2.gz VMDIMHUQMKITGP-UHFFFAOYSA-N 0 2 407.442 3.912 20 0 HHADLN CCc1noc(-c2ccc(C)c(NS(=O)(=O)c3cnn(-c4ccccc4)c3)c2)n1 ZINC000432189384 978706270 /nfs/dbraw/zinc/70/62/70/978706270.db2.gz BWQNDALOFRXOMI-UHFFFAOYSA-N 0 2 409.471 3.594 20 0 HHADLN CN(C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@H]1CCC(C)(C)C1 ZINC000432202245 978711671 /nfs/dbraw/zinc/71/16/71/978711671.db2.gz IRQONAYKTMESTD-AWEZNQCLSA-N 0 2 408.549 3.986 20 0 HHADLN Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1cn(C)nc1-c1cnn(C)c1 ZINC000432344362 978768768 /nfs/dbraw/zinc/76/87/68/978768768.db2.gz AJNPIIHUADWYJG-UHFFFAOYSA-N 0 2 401.536 3.536 20 0 HHADLN O=S(=O)(Nc1ccc(N2CCOCC2)cn1)c1csc2ccc(Cl)cc21 ZINC000432346441 978769496 /nfs/dbraw/zinc/76/94/96/978769496.db2.gz JPLWSKMVBWTAOD-UHFFFAOYSA-N 0 2 409.920 3.587 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)cc1OC ZINC000432350952 978772368 /nfs/dbraw/zinc/77/23/68/978772368.db2.gz GYPFSGXFCCETMT-UHFFFAOYSA-N 0 2 412.439 3.906 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2ccccc2C(F)(F)F)sc1C1CC1 ZINC000432356399 978775320 /nfs/dbraw/zinc/77/53/20/978775320.db2.gz CZHGQOCCTAAGTO-UHFFFAOYSA-N 0 2 406.407 3.627 20 0 HHADLN CN(C)c1cccc(S(=O)(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)c1 ZINC000432532604 978868629 /nfs/dbraw/zinc/86/86/29/978868629.db2.gz XKOHKHBRPSIJBF-SFHVURJKSA-N 0 2 414.556 3.873 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(-c3cc(F)ccc3C)o2)cc1Cl ZINC000432962992 979026194 /nfs/dbraw/zinc/02/61/94/979026194.db2.gz TVWSTZGVDDBMMS-UHFFFAOYSA-N 0 2 411.842 3.955 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)c(C)c1 ZINC000433141877 979095761 /nfs/dbraw/zinc/09/57/61/979095761.db2.gz QVHJNIHUVATLCI-UHFFFAOYSA-N 0 2 403.460 3.620 20 0 HHADLN CC(C)n1nc(-c2ccco2)cc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000433165720 979111158 /nfs/dbraw/zinc/11/11/58/979111158.db2.gz IVTDCHGHUQPPFI-UHFFFAOYSA-N 0 2 400.382 3.939 20 0 HHADLN CCn1nccc1C1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)CC1 ZINC000433555895 979380611 /nfs/dbraw/zinc/38/06/11/979380611.db2.gz RQXWEYIOSRSJJG-UHFFFAOYSA-N 0 2 416.938 3.908 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000433776909 979565303 /nfs/dbraw/zinc/56/53/03/979565303.db2.gz YMWAQZYXSOEBPP-UHFFFAOYSA-N 0 2 412.450 3.600 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N[C@H]3CCOC4(CCSCC4)C3)=N2)cc1 ZINC000434497187 980211769 /nfs/dbraw/zinc/21/17/69/980211769.db2.gz CLAIJBMNXVHWRR-KRWDZBQOSA-N 0 2 415.559 3.876 20 0 HHADLN Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000434508514 980219089 /nfs/dbraw/zinc/21/90/89/980219089.db2.gz COHOOFGVTJVWNB-UHFFFAOYSA-N 0 2 424.526 3.539 20 0 HHADLN Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCC(c3c[nH+]c[nH]3)CC2)cc1 ZINC000434508514 980219094 /nfs/dbraw/zinc/21/90/94/980219094.db2.gz COHOOFGVTJVWNB-UHFFFAOYSA-N 0 2 424.526 3.539 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2OC)c(OC(F)F)c1 ZINC000434633344 980309482 /nfs/dbraw/zinc/30/94/82/980309482.db2.gz GWSMCVWGMCENLX-UHFFFAOYSA-N 0 2 415.414 3.501 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccc2)s1)c1cc(F)ccc1Br ZINC000434978541 980546286 /nfs/dbraw/zinc/54/62/86/980546286.db2.gz WFIJLLRHZSYNRM-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(NC(C)=O)cc2OC)cc1Cl ZINC000435140356 980672120 /nfs/dbraw/zinc/67/21/20/980672120.db2.gz IEKBIKKFPAVLNX-UHFFFAOYSA-N 0 2 419.286 3.770 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c1Br ZINC000435147696 980679120 /nfs/dbraw/zinc/67/91/20/980679120.db2.gz YJYVINIUVGWHGV-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2cccc3[nH]cnc32)cc1Cl ZINC000435197854 980715152 /nfs/dbraw/zinc/71/51/52/980715152.db2.gz VISRRRZSTKLSLD-UHFFFAOYSA-N 0 2 416.684 3.788 20 0 HHADLN CCCCn1ncc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c1C ZINC000435467111 980880054 /nfs/dbraw/zinc/88/00/54/980880054.db2.gz CMWHMLRAPPLEHP-UHFFFAOYSA-N 0 2 421.274 3.931 20 0 HHADLN Cc1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)ccc1C(=O)N(C)C ZINC000435476933 980890071 /nfs/dbraw/zinc/89/00/71/980890071.db2.gz KUNZUOBEUWXHBC-UHFFFAOYSA-N 0 2 405.278 3.944 20 0 HHADLN O=S(=O)(Nc1ccc(-n2cncn2)c(F)c1)c1c(Cl)cc(F)cc1Cl ZINC000435482117 980893348 /nfs/dbraw/zinc/89/33/48/980893348.db2.gz VHVMYMKSUCSCMC-UHFFFAOYSA-N 0 2 405.213 3.653 20 0 HHADLN COc1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)ccc1NC(C)=O ZINC000435485666 980896224 /nfs/dbraw/zinc/89/62/24/980896224.db2.gz BQBOYXVGIOGVMD-UHFFFAOYSA-N 0 2 407.250 3.900 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccccc2)ns1)c1c(Cl)cc(F)cc1Cl ZINC000435724747 981004009 /nfs/dbraw/zinc/00/40/09/981004009.db2.gz XURFAWLHDXOVTL-UHFFFAOYSA-N 0 2 404.275 3.874 20 0 HHADLN C[C@@H]1[C@H](C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)[C@H]1c1ccccc1 ZINC000435756994 981018081 /nfs/dbraw/zinc/01/80/81/981018081.db2.gz WSYBWDCUQVNLNP-VHSSKADRSA-N 0 2 413.524 3.932 20 0 HHADLN Cc1ccnc(-n2nccc2NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435894857 981080443 /nfs/dbraw/zinc/08/04/43/981080443.db2.gz XQBXDVBNNMRCIK-UHFFFAOYSA-N 0 2 401.250 3.822 20 0 HHADLN CCN(C(=O)c1c[nH]c2c(cnn2C)c1=O)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000435943664 981106227 /nfs/dbraw/zinc/10/62/27/981106227.db2.gz BECHOCVEQAOWHU-GFCCVEGCSA-N 0 2 406.408 3.786 20 0 HHADLN CC(=O)N1CCc2cc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)ccc21 ZINC000436014074 981155140 /nfs/dbraw/zinc/15/51/40/981155140.db2.gz PDNRWNXIHOMOGJ-UHFFFAOYSA-N 0 2 402.369 3.554 20 0 HHADLN Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3F)cn2)n1 ZINC000436018165 981158216 /nfs/dbraw/zinc/15/82/16/981158216.db2.gz DJEHBPIKDIUOTA-UHFFFAOYSA-N 0 2 414.384 3.843 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1)C1CC1 ZINC000436030224 981168208 /nfs/dbraw/zinc/16/82/08/981168208.db2.gz UJBVHLQVVMEXEC-UHFFFAOYSA-N 0 2 402.369 3.994 20 0 HHADLN O=C(NC1CC1)c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000436031005 981168738 /nfs/dbraw/zinc/16/87/38/981168738.db2.gz WEGXFWJRYVEFCH-UHFFFAOYSA-N 0 2 402.369 3.538 20 0 HHADLN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000436273011 981279834 /nfs/dbraw/zinc/27/98/34/981279834.db2.gz IGLWYFWHGOHEFY-CQSZACIVSA-N 0 2 422.876 3.645 20 0 HHADLN O=C(N[C@H]1CS(=O)(=O)c2ccccc21)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436525598 981418359 /nfs/dbraw/zinc/41/83/59/981418359.db2.gz BBSJFDGWMGFPEC-SFHVURJKSA-N 0 2 413.882 3.971 20 0 HHADLN CCC[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000436526578 981419335 /nfs/dbraw/zinc/41/93/35/981419335.db2.gz AIXPTEWAMDMSCF-LJQANCHMSA-N 0 2 417.456 3.808 20 0 HHADLN COC(=O)C[C@H](NC(=O)c1cc(F)c(O)c(F)c1)c1ccc(OC(F)(F)F)cc1 ZINC000436528140 981421126 /nfs/dbraw/zinc/42/11/26/981421126.db2.gz GLQVHFJGCISLDJ-AWEZNQCLSA-N 0 2 419.302 3.603 20 0 HHADLN COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000436531097 981423441 /nfs/dbraw/zinc/42/34/41/981423441.db2.gz CKPGBJRNMMROCL-UHFFFAOYSA-N 0 2 404.413 3.948 20 0 HHADLN COc1cc(NC(=O)c2cc(F)c(O)c(F)c2)c(C(=O)N2CCCCC2)cc1OC ZINC000436535069 981425909 /nfs/dbraw/zinc/42/59/09/981425909.db2.gz LYHMCHYDUBDQRT-UHFFFAOYSA-N 0 2 420.412 3.566 20 0 HHADLN O=C(c1cc(-c2ccccc2)cc(Cl)c1O)N1CCC[C@@H]1CN1CCOCC1 ZINC000436574349 981453472 /nfs/dbraw/zinc/45/34/72/981453472.db2.gz KSJLWAWCZBYQHP-GOSISDBHSA-N 0 2 400.906 3.649 20 0 HHADLN Cc1ncccc1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000436582506 981459233 /nfs/dbraw/zinc/45/92/33/981459233.db2.gz DOIITZBQVNYQKB-UHFFFAOYSA-N 0 2 417.874 3.802 20 0 HHADLN CCC(=O)c1ccc(O)c(NS(=O)(=O)CCc2ccccc2Br)c1 ZINC000436604045 981469847 /nfs/dbraw/zinc/46/98/47/981469847.db2.gz IGQIPSRHFJKFNE-UHFFFAOYSA-N 0 2 412.305 3.732 20 0 HHADLN CCC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(OC)ccc2Br)c1 ZINC000436606874 981470895 /nfs/dbraw/zinc/47/08/95/981470895.db2.gz NTMKTJGRWMAQFI-UHFFFAOYSA-N 0 2 414.277 3.557 20 0 HHADLN C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436622572 981479675 /nfs/dbraw/zinc/47/96/75/981479675.db2.gz DQGGRXSJORUWJP-MAUKXSAKSA-N 0 2 400.906 3.648 20 0 HHADLN C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1O)c1ccc(-n2cncn2)cc1 ZINC000436628881 981482623 /nfs/dbraw/zinc/48/26/23/981482623.db2.gz RWMOWIJIMSHXJR-SNVBAGLBSA-N 0 2 421.682 3.880 20 0 HHADLN CCCN(C(=O)c1cc(F)c(O)c(F)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000436636027 981486422 /nfs/dbraw/zinc/48/64/22/981486422.db2.gz PGAXFLHZIISFAC-UHFFFAOYSA-N 0 2 402.441 3.827 20 0 HHADLN Cc1ccc(CNC(=O)C2CCN(C(=O)c3cc(F)cc(Cl)c3O)CC2)cc1F ZINC000436637385 981487073 /nfs/dbraw/zinc/48/70/73/981487073.db2.gz YGARDLBHZIASQX-UHFFFAOYSA-N 0 2 422.859 3.801 20 0 HHADLN C[C@@H](N1CCN(C(=O)c2cc(Cl)cc(Br)c2O)CC1)C(F)(F)F ZINC000436641967 981489779 /nfs/dbraw/zinc/48/97/79/981489779.db2.gz YGAXAQOZFRRTKW-MRVPVSSYSA-N 0 2 415.637 3.517 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000436717529 981528810 /nfs/dbraw/zinc/52/88/10/981528810.db2.gz HAERQTZIJNALCR-CYBMUJFWSA-N 0 2 416.621 3.728 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000436735966 981538232 /nfs/dbraw/zinc/53/82/32/981538232.db2.gz DYFJCXJGIIOACE-UHFFFAOYSA-N 0 2 420.912 3.686 20 0 HHADLN O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1cc(Cl)cc(Br)c1O ZINC000436808159 981570681 /nfs/dbraw/zinc/57/06/81/981570681.db2.gz NGTNCQSTSJMJEH-MEBBXXQBSA-N 0 2 406.729 3.593 20 0 HHADLN O=C(Nc1ccc(C(=O)N2CCOCC2)c(F)c1)c1c(O)cc(Cl)cc1Cl ZINC000436834846 981582310 /nfs/dbraw/zinc/58/23/10/981582310.db2.gz RLPGHPUSLUSBLY-UHFFFAOYSA-N 0 2 413.232 3.563 20 0 HHADLN CC[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2O)CCN1CC(F)F ZINC000436835392 981582401 /nfs/dbraw/zinc/58/24/01/981582401.db2.gz DKPXNGBZXKCLHE-JTQLQIEISA-N 0 2 411.674 3.610 20 0 HHADLN O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cc(F)cc(Br)c1O ZINC000436846624 981587196 /nfs/dbraw/zinc/58/71/96/981587196.db2.gz IDKAXCXYQQTXOI-OAHLLOKOSA-N 0 2 423.238 3.664 20 0 HHADLN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cc(F)cc(Br)c1O ZINC000436846186 981587293 /nfs/dbraw/zinc/58/72/93/981587293.db2.gz BEKYIQAXFOMHTQ-UHFFFAOYSA-N 0 2 420.238 3.605 20 0 HHADLN O=C(Nc1ccc(NC(=O)c2cc(F)cc(Br)c2O)cc1)NC1CC1 ZINC000436848542 981588894 /nfs/dbraw/zinc/58/88/94/981588894.db2.gz PERQVZQCZZCNCU-UHFFFAOYSA-N 0 2 408.227 3.830 20 0 HHADLN CC(=O)N1CC[C@@H](NC(=O)c2cc(F)cc(Br)c2O)c2ccccc21 ZINC000436850411 981590013 /nfs/dbraw/zinc/59/00/13/981590013.db2.gz HVDJVKMOOFSSCD-OAHLLOKOSA-N 0 2 407.239 3.522 20 0 HHADLN C[C@@H](NC(=O)c1cc(F)cc(Br)c1O)c1ccc([S@](C)=O)cc1 ZINC000436852560 981591501 /nfs/dbraw/zinc/59/15/01/981591501.db2.gz AITGZTZRIXZBKG-WBNWAKSLSA-N 0 2 400.269 3.522 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CC[C@H](COCc2ccccc2)C1 ZINC000436853976 981592302 /nfs/dbraw/zinc/59/23/02/981592302.db2.gz DVZNOGBFISAITD-AWEZNQCLSA-N 0 2 408.267 3.973 20 0 HHADLN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1cc(F)cc(Br)c1O ZINC000436855325 981593549 /nfs/dbraw/zinc/59/35/49/981593549.db2.gz HUKKNQSMBYZOKV-UHFFFAOYSA-N 0 2 423.282 3.658 20 0 HHADLN Cn1cc(-c2cccc(CNC(=O)c3cc(F)cc(Br)c3O)c2)cn1 ZINC000436860682 981595808 /nfs/dbraw/zinc/59/58/08/981595808.db2.gz XHYUHBRJSHWVRZ-UHFFFAOYSA-N 0 2 404.239 3.624 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000436865789 981596840 /nfs/dbraw/zinc/59/68/40/981596840.db2.gz VKHOPJVZUAHJDT-NSHDSACASA-N 0 2 413.218 3.512 20 0 HHADLN O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cc(F)cc(Br)c1O ZINC000436866075 981596845 /nfs/dbraw/zinc/59/68/45/981596845.db2.gz WKKVRVUYQUNVAP-UHFFFAOYSA-N 0 2 411.202 3.812 20 0 HHADLN COC(C)(C)c1noc(-c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)n1 ZINC000436894380 981604047 /nfs/dbraw/zinc/60/40/47/981604047.db2.gz SHQQDCSBTZSKQS-UHFFFAOYSA-N 0 2 423.878 3.778 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(O)c(-c3nc(CCC4CC4)no3)c2)cc1 ZINC000436955766 981645174 /nfs/dbraw/zinc/64/51/74/981645174.db2.gz MRXNNAQELYDNOR-UHFFFAOYSA-N 0 2 415.471 3.594 20 0 HHADLN CCN1CC[C@@H](NC(=O)c2cc(F)c(O)c(F)c2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000436970490 981656045 /nfs/dbraw/zinc/65/60/45/981656045.db2.gz LZEMQCRUVHUANS-NVXWUHKLSA-N 0 2 400.347 3.653 20 0 HHADLN C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)c2ccccc21 ZINC000436985162 981667475 /nfs/dbraw/zinc/66/74/75/981667475.db2.gz CTDJXLKUSCWYRP-MRXNPFEDSA-N 0 2 414.527 3.721 20 0 HHADLN CN(C)C(=O)c1cc(NC(=O)c2cc(F)cc(Br)c2O)ccc1Cl ZINC000437002272 981679240 /nfs/dbraw/zinc/67/92/40/981679240.db2.gz PWPQXYYSLBLBBI-UHFFFAOYSA-N 0 2 415.646 3.901 20 0 HHADLN CCC(C)(C)c1ccc(NC(=O)C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)cc1 ZINC000448407796 981760838 /nfs/dbraw/zinc/76/08/38/981760838.db2.gz QQFGRGCBMXATGY-UHFFFAOYSA-N 0 2 424.526 3.900 20 0 HHADLN CCCCCc1nnc(NS(=O)(=O)c2ccc(C(=O)N(CC)CC)cc2)s1 ZINC000437173876 981828809 /nfs/dbraw/zinc/82/88/09/981828809.db2.gz YTOCSAZBVDDQNT-UHFFFAOYSA-N 0 2 410.565 3.554 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(F)c2)s1)c1ccccc1OC(F)F ZINC000437194008 981850819 /nfs/dbraw/zinc/85/08/19/981850819.db2.gz KRFPFEFBXZEMSU-UHFFFAOYSA-N 0 2 415.418 3.670 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2ccnn2-c2ccc(Cl)cc2)cc1 ZINC000437329642 981980778 /nfs/dbraw/zinc/98/07/78/981980778.db2.gz VVQILPUSCFZLIO-UHFFFAOYSA-N 0 2 421.906 3.742 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)cs1 ZINC000437340965 981991233 /nfs/dbraw/zinc/99/12/33/981991233.db2.gz LXKAZFDDXXKWKW-UHFFFAOYSA-N 0 2 412.489 3.522 20 0 HHADLN COc1ccc(Cn2ncc(C)c2NS(=O)(=O)c2cccc(F)c2C)cc1OC ZINC000437386973 982031791 /nfs/dbraw/zinc/03/17/91/982031791.db2.gz CMQWDTKELDODOE-UHFFFAOYSA-N 0 2 419.478 3.505 20 0 HHADLN O=S(=O)(Nc1ccc(I)cn1)c1ccc2ccccc2c1 ZINC000437407204 982050634 /nfs/dbraw/zinc/05/06/34/982050634.db2.gz OQAWCKPPRNFRFS-UHFFFAOYSA-N 0 2 410.236 3.640 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(Cl)s2)nc1C(F)(F)F ZINC000460532945 982320022 /nfs/dbraw/zinc/32/00/22/982320022.db2.gz KSVJQDLGGITFKD-UHFFFAOYSA-N 0 2 420.843 3.854 20 0 HHADLN C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC1 ZINC000437983392 982505254 /nfs/dbraw/zinc/50/52/54/982505254.db2.gz FEYFXLVUQXPDMO-ZDUSSCGKSA-N 0 2 407.971 3.822 20 0 HHADLN C[C@@H](C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1cccc(Cl)c1 ZINC000460958370 982690453 /nfs/dbraw/zinc/69/04/53/982690453.db2.gz OHWONNZVCPSOBE-LLVKDONJSA-N 0 2 422.919 3.735 20 0 HHADLN O=S(=O)(Nc1nnc(CCOc2ccccc2)o1)c1ccc(C(F)(F)F)s1 ZINC000461114488 982805853 /nfs/dbraw/zinc/80/58/53/982805853.db2.gz RYLQKOUAPMTYAN-UHFFFAOYSA-N 0 2 419.406 3.572 20 0 HHADLN COCCCCc1cccnc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000461224829 982935280 /nfs/dbraw/zinc/93/52/80/982935280.db2.gz GYGXAJFGLYPPPR-UHFFFAOYSA-N 0 2 411.483 3.570 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccc(F)c(Br)c2)cc1OC ZINC000438726161 983027392 /nfs/dbraw/zinc/02/73/92/983027392.db2.gz TUYVFRSLQZKWAM-UHFFFAOYSA-N 0 2 408.220 3.545 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)=N1 ZINC000438897354 983142390 /nfs/dbraw/zinc/14/23/90/983142390.db2.gz FBXLHAAHVUTQQL-AWEZNQCLSA-N 0 2 404.470 3.516 20 0 HHADLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc([C@@H](C)CC)cc2)sc1C(C)=O ZINC000439000940 983203360 /nfs/dbraw/zinc/20/33/60/983203360.db2.gz OHHFWIICTKNDPS-NSHDSACASA-N 0 2 410.517 3.837 20 0 HHADLN CCOc1ccc(Oc2ccc(NS(=O)(=O)c3cnn(CCOC)c3)cc2)cc1 ZINC000439042793 983224225 /nfs/dbraw/zinc/22/42/25/983224225.db2.gz VBZHHWDYKNLICM-UHFFFAOYSA-N 0 2 417.487 3.521 20 0 HHADLN COc1ccccc1OCCN(C)C(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC000439048249 983226704 /nfs/dbraw/zinc/22/67/04/983226704.db2.gz BIGZNLHUMBIGQX-UHFFFAOYSA-N 0 2 409.486 3.861 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CC[C@@H](COCc3ccccc3)C2)=N1 ZINC000439108897 983253365 /nfs/dbraw/zinc/25/33/65/983253365.db2.gz FVGQBEZBWXFYOE-LJQANCHMSA-N 0 2 405.498 3.819 20 0 HHADLN CO[C@@H](C)c1nc(CNC(=O)c2cc(Cl)cc(Br)c2O)cs1 ZINC000439143239 983270954 /nfs/dbraw/zinc/27/09/54/983270954.db2.gz YNROLOFLEFCJPG-ZETCQYMHSA-N 0 2 405.701 3.902 20 0 HHADLN Cc1ccc(Cl)cc1N1CC[C@H](CNC(=O)C2=NN(c3ccccc3)CC2=O)C1 ZINC000439173926 983290893 /nfs/dbraw/zinc/29/08/93/983290893.db2.gz ZWGHEEUJRQSMPC-MRXNPFEDSA-N 0 2 410.905 3.796 20 0 HHADLN CCOc1cc2c(cc1[C@@H]1C[C@@H]1NC(=O)C1=NN(c3ccccc3)CC1=O)O[C@@H](C)C2 ZINC000439205677 983310377 /nfs/dbraw/zinc/31/03/77/983310377.db2.gz OKFNRVFAHTYXDN-FNHZYXHNSA-N 0 2 419.481 3.586 20 0 HHADLN COCCNc1ccc(CNC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)cc1 ZINC000439239085 983325335 /nfs/dbraw/zinc/32/53/35/983325335.db2.gz SOTOHJIYSQTUAQ-UHFFFAOYSA-N 0 2 408.502 3.690 20 0 HHADLN NC(=O)CCOc1ccccc1NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440291744 983708532 /nfs/dbraw/zinc/70/85/32/983708532.db2.gz JBJFRYKCZGBFLF-UHFFFAOYSA-N 0 2 404.875 3.548 20 0 HHADLN Cc1cc(OCc2ccccc2)ccc1NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000440598007 983809010 /nfs/dbraw/zinc/80/90/10/983809010.db2.gz MSJYGQQUIKDLHV-UHFFFAOYSA-N 0 2 424.526 3.722 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C)ccc1Br ZINC000440825770 983924499 /nfs/dbraw/zinc/92/44/99/983924499.db2.gz RWSDUTTWCXZUME-UHFFFAOYSA-N 0 2 416.341 3.810 20 0 HHADLN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C)cc1 ZINC000440832181 983928154 /nfs/dbraw/zinc/92/81/54/983928154.db2.gz HYTVAPKEAFVYBX-UHFFFAOYSA-N 0 2 406.552 3.520 20 0 HHADLN Cc1cccc([C@H]2CCCCN2C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)c1C ZINC000441272341 984151456 /nfs/dbraw/zinc/15/14/56/984151456.db2.gz YSZJRQPNBPGUQX-MRXNPFEDSA-N 0 2 400.548 3.567 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC(F)F)cc1Cl ZINC000441331989 984189450 /nfs/dbraw/zinc/18/94/50/984189450.db2.gz PWIQIVOULAXZQY-UHFFFAOYSA-N 0 2 421.805 3.537 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N2CCCCC[C@H]2/C=C\c2ccccc2)s[nH]1 ZINC000442056844 984615016 /nfs/dbraw/zinc/61/50/16/984615016.db2.gz MVUJDCPQWHOAMP-NJWFCXLTSA-N 0 2 412.559 3.681 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000442217356 984737059 /nfs/dbraw/zinc/73/70/59/984737059.db2.gz UIMGTXQKPBCHLN-UHFFFAOYSA-N 0 2 423.494 3.579 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC000442222727 984741982 /nfs/dbraw/zinc/74/19/82/984741982.db2.gz KUZBQFHDKVNBBC-UHFFFAOYSA-N 0 2 422.409 3.814 20 0 HHADLN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)cc1 ZINC000442232047 984752100 /nfs/dbraw/zinc/75/21/00/984752100.db2.gz WFVNAYMTIGFXDC-UHFFFAOYSA-N 0 2 420.494 3.733 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC2CC(c3ccccc3)C2)c(F)c1Cl ZINC000461790775 984779964 /nfs/dbraw/zinc/77/99/64/984779964.db2.gz JYIDXTCOXCQHSG-UHFFFAOYSA-N 0 2 414.861 3.801 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000442342654 984849679 /nfs/dbraw/zinc/84/96/79/984849679.db2.gz BWSFLEQCZIFMHJ-MRXNPFEDSA-N 0 2 419.499 3.612 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(C(C)C)cc1C(=O)OC ZINC000442349270 984855412 /nfs/dbraw/zinc/85/54/12/984855412.db2.gz HALDLMIFLWCWIL-UHFFFAOYSA-N 0 2 405.472 3.574 20 0 HHADLN C[C@H](N=c1nc(C(C)(C)C)[nH]s1)c1ccc(Br)cc1OCCCO ZINC000461994929 984976901 /nfs/dbraw/zinc/97/69/01/984976901.db2.gz LHKFDDPGCQDRFR-NSHDSACASA-N 0 2 414.369 3.954 20 0 HHADLN COCCOCc1ccc(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1 ZINC000462070529 985042634 /nfs/dbraw/zinc/04/26/34/985042634.db2.gz WOIHFFAGMOKUJK-UHFFFAOYSA-N 0 2 403.891 3.696 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(C)c(Cc3ccc(F)cc3F)s2)cn1 ZINC000442617472 985094914 /nfs/dbraw/zinc/09/49/14/985094914.db2.gz IILSCSBWVRLCMM-UHFFFAOYSA-N 0 2 411.455 3.525 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H]2CCc3ccccc32)c(F)c1Cl ZINC000462129508 985100637 /nfs/dbraw/zinc/10/06/37/985100637.db2.gz FWVFTDSAESUXPX-GFCCVEGCSA-N 0 2 414.861 3.585 20 0 HHADLN O=S(=O)(Nc1cccc(OCC(F)(F)F)c1)c1cnccc1C(F)(F)F ZINC000442818819 985226814 /nfs/dbraw/zinc/22/68/14/985226814.db2.gz JCJJEWBVMQIQAL-UHFFFAOYSA-N 0 2 400.300 3.842 20 0 HHADLN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000442818240 985227204 /nfs/dbraw/zinc/22/72/04/985227204.db2.gz ZRMOZFZKMKCAOD-UHFFFAOYSA-N 0 2 415.437 3.820 20 0 HHADLN CC(C)(C)OC(=O)Cc1ccccc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000442822431 985228677 /nfs/dbraw/zinc/22/86/77/985228677.db2.gz WWHFLOORIZHOIY-UHFFFAOYSA-N 0 2 416.421 3.785 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000442822796 985228908 /nfs/dbraw/zinc/22/89/08/985228908.db2.gz XTNCAZOSODFUBU-UHFFFAOYSA-N 0 2 423.434 3.893 20 0 HHADLN COc1cc(Br)cc(NS(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000442823681 985229532 /nfs/dbraw/zinc/22/95/32/985229532.db2.gz INYPHAITLRBFRV-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3nc(C)cs3)c2)c(OC)c1 ZINC000442835192 985236173 /nfs/dbraw/zinc/23/61/73/985236173.db2.gz XWCWJAMXYJHKCU-UHFFFAOYSA-N 0 2 418.496 3.715 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000442847458 985245209 /nfs/dbraw/zinc/24/52/09/985245209.db2.gz XPEJBDHBIHYGSF-UHFFFAOYSA-N 0 2 410.300 3.959 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCCc2cc(C)cc(C)c2)c(F)c1Cl ZINC000462344120 985333349 /nfs/dbraw/zinc/33/33/49/985333349.db2.gz GZVPPUKWQJKXCR-UHFFFAOYSA-N 0 2 416.877 3.714 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H](C)c2ccc(C)cc2)c(F)c1Cl ZINC000462346204 985335721 /nfs/dbraw/zinc/33/57/21/985335721.db2.gz KNUKFNIZRZXWCN-NSHDSACASA-N 0 2 416.877 3.967 20 0 HHADLN O=S(=O)(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cnccc1C(F)(F)F ZINC000443147549 985407174 /nfs/dbraw/zinc/40/71/74/985407174.db2.gz VXQVRDLXOOGCBK-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c(F)c1Cl ZINC000462469636 985427672 /nfs/dbraw/zinc/42/76/72/985427672.db2.gz CCYVHCSHSXAQSL-AWEZNQCLSA-N 0 2 414.861 3.933 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H](C)Cc2cccs2)c(F)c1Cl ZINC000462495809 985449194 /nfs/dbraw/zinc/44/91/94/985449194.db2.gz RCDRHJFWEZUSLR-SECBINFHSA-N 0 2 422.906 3.795 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC(C)(C)c2ccccc2)c(F)c1Cl ZINC000462554847 985502495 /nfs/dbraw/zinc/50/24/95/985502495.db2.gz VUFOJVMWJJPDIP-UHFFFAOYSA-N 0 2 402.850 3.790 20 0 HHADLN Cc1ccncc1NS(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000443365496 985525919 /nfs/dbraw/zinc/52/59/19/985525919.db2.gz CWCBXRRQTNWMAN-UHFFFAOYSA-N 0 2 424.089 3.855 20 0 HHADLN COc1cc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c(C)c(OC)c1 ZINC000443414438 985570207 /nfs/dbraw/zinc/57/02/07/985570207.db2.gz CLWVZOJZTOIRGF-UHFFFAOYSA-N 0 2 421.906 3.961 20 0 HHADLN Cc1n[nH]cc1S(=O)(=O)Nc1ccc(Oc2nncc3ccccc32)c(Cl)c1 ZINC000443450310 985616802 /nfs/dbraw/zinc/61/68/02/985616802.db2.gz AOAXBXORUYGLGI-UHFFFAOYSA-N 0 2 415.862 3.908 20 0 HHADLN Cc1ccccc1COc1cccc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1 ZINC000443456297 985626751 /nfs/dbraw/zinc/62/67/51/985626751.db2.gz TZAGZJUCKBCJFP-LJQANCHMSA-N 0 2 413.499 3.533 20 0 HHADLN O=S(=O)(Nc1ccc(Oc2cccc(F)c2)cc1)c1cnn([C@@H]2CCOC2)c1 ZINC000443469725 985643746 /nfs/dbraw/zinc/64/37/46/985643746.db2.gz SHNHINSJPKTCQC-MRXNPFEDSA-N 0 2 403.435 3.577 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2ccc(F)cc2OCCC(F)(F)F)c1 ZINC000443532334 985703967 /nfs/dbraw/zinc/70/39/67/985703967.db2.gz SXHVYYOGAFEKOA-UHFFFAOYSA-N 0 2 409.357 3.672 20 0 HHADLN Cc1cccc(C)c1NCC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443579837 985754817 /nfs/dbraw/zinc/75/48/17/985754817.db2.gz JLANZOROGXAEOX-UHFFFAOYSA-N 0 2 416.528 3.611 20 0 HHADLN O=C(COc1ccccc1Cl)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443580731 985755462 /nfs/dbraw/zinc/75/54/62/985755462.db2.gz KMCNEBUPMKKJQG-UHFFFAOYSA-N 0 2 423.903 3.615 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccc2ncccc21 ZINC000443592340 985768294 /nfs/dbraw/zinc/76/82/94/985768294.db2.gz RLUDQYSKRMECAT-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN O=C(Cc1ccc2c(c1)CCC2)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443593275 985768319 /nfs/dbraw/zinc/76/83/19/985768319.db2.gz PMQWRXNFYGWTDR-UHFFFAOYSA-N 0 2 413.524 3.614 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CC4(CCCC4)OC(C)(C)C3)s[nH]2)c1 ZINC000443607024 985786244 /nfs/dbraw/zinc/78/62/44/985786244.db2.gz UPZQWERXAHRIOV-UHFFFAOYSA-N 0 2 402.520 3.591 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(F)cc1OC(C)C ZINC000468348886 986045680 /nfs/dbraw/zinc/04/56/80/986045680.db2.gz XVUQTYRJZDIKGR-UHFFFAOYSA-N 0 2 401.431 3.578 20 0 HHADLN CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)o1 ZINC000463105005 986066160 /nfs/dbraw/zinc/06/61/60/986066160.db2.gz DIEXGXRMERYXEG-UHFFFAOYSA-N 0 2 407.275 3.621 20 0 HHADLN CCC1(CC)Oc2ccc(NS(=O)(=O)c3c(C)csc3C(=O)OC)cc2O1 ZINC000468378166 986077660 /nfs/dbraw/zinc/07/76/60/986077660.db2.gz TXTNTNZQLDDUSC-UHFFFAOYSA-N 0 2 411.501 3.931 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2nc(C)co2)c1 ZINC000468381031 986080576 /nfs/dbraw/zinc/08/05/76/986080576.db2.gz BCUZSHYRQACZNL-UHFFFAOYSA-N 0 2 406.435 3.615 20 0 HHADLN C[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C[C@@H](C)C1 ZINC000443928479 986136208 /nfs/dbraw/zinc/13/62/08/986136208.db2.gz MKBIHPXPXBOASV-KBPBESRZSA-N 0 2 408.549 3.844 20 0 HHADLN Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c1 ZINC000463166791 986138520 /nfs/dbraw/zinc/13/85/20/986138520.db2.gz CKBOFWBDUGLFID-LLVKDONJSA-N 0 2 418.284 3.844 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1ccc(C(=O)NC2CC2)cc1 ZINC000463167883 986139376 /nfs/dbraw/zinc/13/93/76/986139376.db2.gz XEFCQHDOGKYRPF-UHFFFAOYSA-N 0 2 416.268 3.923 20 0 HHADLN O=C(Cc1ccc2c(c1)OCCO2)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463172515 986144231 /nfs/dbraw/zinc/14/42/31/986144231.db2.gz QXVKQKGTAILGCI-UHFFFAOYSA-N 0 2 405.241 3.731 20 0 HHADLN O=S(=O)(Nc1cccc(CN2CCOCC2)c1)c1cc(Cl)sc1Cl ZINC000444027599 986221930 /nfs/dbraw/zinc/22/19/30/986221930.db2.gz FKGCDGTYJMFLBH-UHFFFAOYSA-N 0 2 407.344 3.688 20 0 HHADLN O=S(=O)(Nc1ccnn1-c1ccc(Cl)cc1)c1cnc(-c2ccccc2)nc1 ZINC000444044799 986242386 /nfs/dbraw/zinc/24/23/86/986242386.db2.gz KYYVMPQYKMSVBI-UHFFFAOYSA-N 0 2 411.874 3.784 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ncc(C(C)C)s2)cc1Br ZINC000444046586 986244567 /nfs/dbraw/zinc/24/45/67/986244567.db2.gz BMNPQNHUKNXYRW-UHFFFAOYSA-N 0 2 418.338 3.788 20 0 HHADLN O=S(=O)(Nc1c2c(nn1-c1ccccc1)CCC2)c1cnc(-c2ccccc2)nc1 ZINC000444049025 986247619 /nfs/dbraw/zinc/24/76/19/986247619.db2.gz DIWZDJCMOYTHBE-UHFFFAOYSA-N 0 2 417.494 3.619 20 0 HHADLN COc1cc(S(=O)(=O)Nc2ncc(C(C)C)s2)c(OC)cc1Br ZINC000444053949 986253728 /nfs/dbraw/zinc/25/37/28/986253728.db2.gz KGISNJIHKBDEJW-UHFFFAOYSA-N 0 2 421.338 3.847 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccco2)o1)c1ccc(Br)c(Cl)c1 ZINC000444054216 986253824 /nfs/dbraw/zinc/25/38/24/986253824.db2.gz FAALWKDNZGYVEZ-UHFFFAOYSA-N 0 2 404.629 3.546 20 0 HHADLN CCCc1csc(NS(=O)(=O)c2cc(OC)c(Br)cc2OC)n1 ZINC000444057527 986258922 /nfs/dbraw/zinc/25/89/22/986258922.db2.gz LYPGUIYQPLRVJX-UHFFFAOYSA-N 0 2 421.338 3.676 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3cc(Br)ccc3C)o2)c(C)o1 ZINC000444061333 986262754 /nfs/dbraw/zinc/26/27/54/986262754.db2.gz WHMUWPWGNNYKBH-UHFFFAOYSA-N 0 2 412.265 3.818 20 0 HHADLN Cc1occc1-c1nnc(NS(=O)(=O)c2c(C)cc(Br)cc2C)o1 ZINC000444062643 986265299 /nfs/dbraw/zinc/26/52/99/986265299.db2.gz AATGFEDPWKULGA-UHFFFAOYSA-N 0 2 412.265 3.818 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(-c2ccccc2)o1 ZINC000444063831 986265805 /nfs/dbraw/zinc/26/58/05/986265805.db2.gz HFVCNWJTSSONKC-UHFFFAOYSA-N 0 2 423.878 3.606 20 0 HHADLN O=C(NCC1(c2ccccc2Cl)CCOCC1)C1=NN(c2ccccc2)CC1=O ZINC000468616814 986332355 /nfs/dbraw/zinc/33/23/55/986332355.db2.gz CSMOAMSUMRCFAC-UHFFFAOYSA-N 0 2 411.889 3.710 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3cccc(C)c3Br)o2)c(C)o1 ZINC000463384724 986352033 /nfs/dbraw/zinc/35/20/33/986352033.db2.gz MSHHITWODIEOAK-UHFFFAOYSA-N 0 2 412.265 3.818 20 0 HHADLN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)s1 ZINC000444204881 986384909 /nfs/dbraw/zinc/38/49/09/986384909.db2.gz KNTVLUSVEOJUEK-UHFFFAOYSA-N 0 2 423.829 3.710 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC(Nc3ccc(F)cc3)CC2)=N1 ZINC000468698555 986411837 /nfs/dbraw/zinc/41/18/37/986411837.db2.gz NDESTDCOEVBTGH-UHFFFAOYSA-N 0 2 412.440 3.881 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N(C)Cc2cc(Br)cn2C)=N1 ZINC000468777969 986490117 /nfs/dbraw/zinc/49/01/17/986490117.db2.gz AYYHSEVSNYICBK-UHFFFAOYSA-N 0 2 417.307 3.514 20 0 HHADLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3cc(F)ccc3OCCOC)sc2C1 ZINC000468973561 986677971 /nfs/dbraw/zinc/67/79/71/986677971.db2.gz NQNQVSAOKOCLBH-GFCCVEGCSA-N 0 2 414.524 3.623 20 0 HHADLN O=S(=O)(Nc1cnn(C(F)F)c1)c1ccc(Br)c(C(F)(F)F)c1 ZINC000463785041 986775533 /nfs/dbraw/zinc/77/55/33/986775533.db2.gz DEFHIXPVKRMZRY-UHFFFAOYSA-N 0 2 420.157 3.860 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)OC)cc2Cl)c2ncccc12 ZINC000463793219 986785023 /nfs/dbraw/zinc/78/50/23/986785023.db2.gz HZOCRJNICGZLPL-UHFFFAOYSA-N 0 2 420.874 3.874 20 0 HHADLN Cc1cc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)nn1-c1c(F)cccc1F ZINC000469380735 987076796 /nfs/dbraw/zinc/07/67/96/987076796.db2.gz FYFZCFZILJSYJX-UHFFFAOYSA-N 0 2 414.803 4.150 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@H](C)c3ccc(NC(N)=O)cc3)=N2)c1 ZINC000469507520 987184195 /nfs/dbraw/zinc/18/41/95/987184195.db2.gz XVOJXPDZSBDCQX-CQSZACIVSA-N 0 2 407.474 3.683 20 0 HHADLN CCn1ccnc1C(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000469512085 987188301 /nfs/dbraw/zinc/18/83/01/987188301.db2.gz MXHOYXVJSGSOSP-UHFFFAOYSA-N 0 2 422.869 3.749 20 0 HHADLN CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000445113598 987218497 /nfs/dbraw/zinc/21/84/97/987218497.db2.gz LHEDZRUKHXTTLS-UHFFFAOYSA-N 0 2 404.927 3.965 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(-c3nc(-c4ccoc4)no3)ccc2F)cc1 ZINC000445452644 987521188 /nfs/dbraw/zinc/52/11/88/987521188.db2.gz FJBFKLPXCGRDTB-UHFFFAOYSA-N 0 2 415.402 3.945 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3cc(F)ccc3OC(F)F)cc21 ZINC000470447609 988424945 /nfs/dbraw/zinc/42/49/45/988424945.db2.gz BQLKUCSHZDVAKI-UHFFFAOYSA-N 0 2 414.405 3.527 20 0 HHADLN CN(CCOc1ccc(C(F)(F)F)cc1)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000470722704 988748647 /nfs/dbraw/zinc/74/86/47/988748647.db2.gz LDDRBQQEXKDFKB-UHFFFAOYSA-N 0 2 423.366 3.887 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)=N1 ZINC000470756836 988798359 /nfs/dbraw/zinc/79/83/59/988798359.db2.gz QDWSCIYGGLINIO-SCLBCKFNSA-N 0 2 401.463 3.689 20 0 HHADLN Cc1c2nc(NS(=O)(=O)c3cc4c(cc3Cl)OCCO4)sc2ccc1F ZINC000464888877 989155710 /nfs/dbraw/zinc/15/57/10/989155710.db2.gz FGBYEFGDPFZLIY-UHFFFAOYSA-N 0 2 414.867 3.969 20 0 HHADLN Cn1cc(-c2nc3ccccn3c2NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 ZINC000464907166 989181545 /nfs/dbraw/zinc/18/15/45/989181545.db2.gz PIVJYPODSDBEES-UHFFFAOYSA-N 0 2 422.297 3.842 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CCC3(C2)CCOCC3)cc1 ZINC000464986007 989290929 /nfs/dbraw/zinc/29/09/29/989290929.db2.gz RIDLRDOXQUMIKE-UHFFFAOYSA-N 0 2 420.556 3.500 20 0 HHADLN CN(C)c1ccc(-c2cncc(C(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)c2)cc1 ZINC000471394139 989572356 /nfs/dbraw/zinc/57/23/56/989572356.db2.gz KRFHFDMWCWCYMD-UHFFFAOYSA-N 0 2 419.510 3.797 20 0 HHADLN COCc1cccc(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)c1 ZINC000471501805 989699011 /nfs/dbraw/zinc/69/90/11/989699011.db2.gz XFMQEWFZJWCCQD-UHFFFAOYSA-N 0 2 403.529 3.811 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(OC)c3)s2)c(C)c1 ZINC000471510451 989708669 /nfs/dbraw/zinc/70/86/69/989708669.db2.gz LRUBVWNYOOMAKE-UHFFFAOYSA-N 0 2 419.528 3.645 20 0 HHADLN Cc1cn([C@H](C)c2ccccc2)nc1NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000471580242 989783270 /nfs/dbraw/zinc/78/32/70/989783270.db2.gz HBOFIVDDPRMASD-NRJQMVOHSA-N 0 2 415.559 3.938 20 0 HHADLN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cccc2ccn(C)c21 ZINC000471580841 989784846 /nfs/dbraw/zinc/78/48/46/989784846.db2.gz KRQHPAONNKBEFA-UHFFFAOYSA-N 0 2 412.389 3.785 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(Cl)cc1-n1cccn1 ZINC000471583548 989787262 /nfs/dbraw/zinc/78/72/62/989787262.db2.gz AIIMFPOPVVJVSX-UHFFFAOYSA-N 0 2 407.927 3.796 20 0 HHADLN O=S(=O)(Nc1cnn(CC(F)F)c1)c1cc(Cl)c(Br)cc1F ZINC000471594155 989797347 /nfs/dbraw/zinc/79/73/47/989797347.db2.gz OHHLVVRGMCTTTA-UHFFFAOYSA-N 0 2 418.622 3.504 20 0 HHADLN Cc1ccc(CO)cc1NS(=O)(=O)c1cc(Cl)c(Br)cc1F ZINC000471613072 989817950 /nfs/dbraw/zinc/81/79/50/989817950.db2.gz VMPAAFZXLOMXED-UHFFFAOYSA-N 0 2 408.676 3.843 20 0 HHADLN Cc1cc(-c2noc([C@@H](C)NS(=O)(=O)c3c(F)cc(F)cc3F)n2)ccc1F ZINC000471873771 990045690 /nfs/dbraw/zinc/04/56/90/990045690.db2.gz PDGSVPRGLYOPMX-SECBINFHSA-N 0 2 415.368 3.641 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1cc2nccnc2cc1F ZINC000471887184 990060281 /nfs/dbraw/zinc/06/02/81/990060281.db2.gz ITGMTCLUBZGIMM-UHFFFAOYSA-N 0 2 413.210 3.569 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 ZINC000471899713 990070004 /nfs/dbraw/zinc/07/00/04/990070004.db2.gz CPTFWNUMZNDFIL-FQEVSTJZSA-N 0 2 424.526 3.681 20 0 HHADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)n1 ZINC000471907757 990076154 /nfs/dbraw/zinc/07/61/54/990076154.db2.gz PVVRWIKCMVMVMX-UHFFFAOYSA-N 0 2 403.913 3.899 20 0 HHADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000471908280 990077329 /nfs/dbraw/zinc/07/73/29/990077329.db2.gz BNWMIJMPAYSVOY-UHFFFAOYSA-N 0 2 405.448 3.817 20 0 HHADLN Cc1cccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc4[nH]nnc4c3)cc2)c1C ZINC000471916519 990083502 /nfs/dbraw/zinc/08/35/02/990083502.db2.gz BYXCSPQGXMUFKV-UHFFFAOYSA-N 0 2 421.482 3.628 20 0 HHADLN Cc1cc(Br)ccc1S(=O)(=O)Nc1nnc(-c2ccco2)s1 ZINC000471933276 990098950 /nfs/dbraw/zinc/09/89/50/990098950.db2.gz JTWUYVRBFHIVIL-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccc(OCC(F)(F)F)c1C ZINC000466285383 991532498 /nfs/dbraw/zinc/53/24/98/991532498.db2.gz FKRQGNVNGLLNKJ-UHFFFAOYSA-N 0 2 421.368 3.663 20 0 HHADLN CCCCCc1nnc(NS(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)s1 ZINC000466375849 991656204 /nfs/dbraw/zinc/65/62/04/991656204.db2.gz ZOQOSLMESHXVSC-UHFFFAOYSA-N 0 2 409.512 3.705 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000466379425 991663711 /nfs/dbraw/zinc/66/37/11/991663711.db2.gz CSCYSLGKGFVBFO-UHFFFAOYSA-N 0 2 400.840 3.676 20 0 HHADLN COc1ccc2c(c1)[C@@H](NC(=O)N=c1nc(-c3cccc(Cl)c3)[nH]s1)CCO2 ZINC000466918465 992231469 /nfs/dbraw/zinc/23/14/69/992231469.db2.gz LVBAUDFIBAQMJY-HNNXBMFYSA-N 0 2 416.890 3.934 20 0 HHADLN CC(=O)Nc1ncccc1NS(=O)(=O)c1ccc2nc(C(C)(C)C)sc2c1 ZINC000466958985 992269237 /nfs/dbraw/zinc/26/92/37/992269237.db2.gz DIKNESXXOPNLGD-UHFFFAOYSA-N 0 2 404.517 3.748 20 0 HHADLN Cc1ccc(CNC(=O)N=c2nc(-c3ccccc3)[nH]s2)c(OC[C@H]2CCCO2)c1 ZINC000466981677 992291729 /nfs/dbraw/zinc/29/17/29/992291729.db2.gz VUGKZOFFVFPKRU-GOSISDBHSA-N 0 2 424.526 3.815 20 0 HHADLN CC(C)c1csc(NS(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)n1 ZINC000467013424 992320426 /nfs/dbraw/zinc/32/04/26/992320426.db2.gz JLJVKPAULIGBNB-LBPRGKRZSA-N 0 2 400.497 3.622 20 0 HHADLN O=S(=O)(Nc1nc2ccccc2s1)c1ccc(OC[C@H]2CCOC2)c(F)c1 ZINC000467039604 992349114 /nfs/dbraw/zinc/34/91/14/992349114.db2.gz APLUAWDIKRKGCS-LBPRGKRZSA-N 0 2 408.476 3.652 20 0 HHADLN CCn1c2ccc(S(=O)(=O)Nc3ccc4cccc(Cl)c4n3)cc2oc1=O ZINC000467040334 992349725 /nfs/dbraw/zinc/34/97/25/992349725.db2.gz IYHFCPZEALTXMU-UHFFFAOYSA-N 0 2 403.847 3.617 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)ccc1C ZINC000467090818 992396783 /nfs/dbraw/zinc/39/67/83/992396783.db2.gz OHDAUXSBRZBXPS-UHFFFAOYSA-N 0 2 407.536 3.831 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1cccc(N2CCCCC2=O)c1 ZINC000467095646 992401127 /nfs/dbraw/zinc/40/11/27/992401127.db2.gz YXUWMJIIYWLGKG-UHFFFAOYSA-N 0 2 411.487 3.578 20 0 HHADLN CCc1nnc(-c2ccc(NC(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)cc2)o1 ZINC000467373499 992690850 /nfs/dbraw/zinc/69/08/50/992690850.db2.gz MXGFGRCSFYWTCD-UHFFFAOYSA-N 0 2 410.459 3.673 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000467495989 992781512 /nfs/dbraw/zinc/78/15/12/992781512.db2.gz PZLYHVVWYASIEV-FQEVSTJZSA-N 0 2 418.522 3.886 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCc3c(F)cccc3SC)s[nH]2)c1 ZINC000480745562 993612941 /nfs/dbraw/zinc/61/29/41/993612941.db2.gz DXBZCZNFQQKFFM-UHFFFAOYSA-N 0 2 404.492 3.818 20 0 HHADLN Cc1onc(-c2cccc(Cl)c2)c1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000480934930 993784276 /nfs/dbraw/zinc/78/42/76/993784276.db2.gz OOOFSELTDDBEAO-UHFFFAOYSA-N 0 2 423.860 3.931 20 0 HHADLN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)c1 ZINC000473128180 994016903 /nfs/dbraw/zinc/01/69/03/994016903.db2.gz NLITYTIEEQWRFS-YPMHNXCESA-N 0 2 400.385 3.509 20 0 HHADLN CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)cc1Cl ZINC000473406551 994259920 /nfs/dbraw/zinc/25/99/20/994259920.db2.gz HXQDOILCPGEMJC-UHFFFAOYSA-N 0 2 411.669 3.946 20 0 HHADLN Cc1ccc([C@@H](NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)c2ccccn2)cc1 ZINC000473595464 994474557 /nfs/dbraw/zinc/47/45/57/994474557.db2.gz ZRKNEQMJZZRHPD-OAQYLSRUSA-N 0 2 402.429 3.940 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1cc(-c2ccccc2)ns1 ZINC000473718566 994611852 /nfs/dbraw/zinc/61/18/52/994611852.db2.gz CNQYCVFVFLSHIX-UHFFFAOYSA-N 0 2 406.471 3.829 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc2nc(C3CC3)oc2c1 ZINC000473723552 994617114 /nfs/dbraw/zinc/61/71/14/994617114.db2.gz VBULWLBMNFNEIV-UHFFFAOYSA-N 0 2 404.430 3.724 20 0 HHADLN Cc1cc(S(=O)(=O)N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)sc1Cl ZINC000473764731 994680540 /nfs/dbraw/zinc/68/05/40/994680540.db2.gz NBPSRGZYLAZDGM-NSHDSACASA-N 0 2 401.863 3.642 20 0 HHADLN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cn2)C[C@H](C)O1 ZINC000481838210 994690275 /nfs/dbraw/zinc/69/02/75/994690275.db2.gz AESMOMSCEPJELT-TXEJJXNPSA-N 0 2 416.330 3.803 20 0 HHADLN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cn2)C[C@@H](C)O1 ZINC000481838217 994690425 /nfs/dbraw/zinc/69/04/25/994690425.db2.gz AESMOMSCEPJELT-VXGBXAGGSA-N 0 2 416.330 3.803 20 0 HHADLN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3nnc(CCC(C)C)o3)ccc2s1 ZINC000481843485 994698626 /nfs/dbraw/zinc/69/86/26/994698626.db2.gz QRDDQEXPMWAPQO-UHFFFAOYSA-N 0 2 423.516 3.850 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3cc(F)ccc3C)s2)cc1C ZINC000481855918 994712989 /nfs/dbraw/zinc/71/29/89/994712989.db2.gz FMWUNPPKJCWNJX-UHFFFAOYSA-N 0 2 421.475 3.548 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3cc(Cl)ccc3OC)o2)cc1 ZINC000481858861 994716424 /nfs/dbraw/zinc/71/64/24/994716424.db2.gz VEYXNKMWPLBDLX-UHFFFAOYSA-N 0 2 409.851 3.598 20 0 HHADLN COc1ccc(Oc2ccc(S(=O)(=O)Nc3cc([C@H]4CCCO4)[nH]n3)cc2)cc1 ZINC000481862941 994723050 /nfs/dbraw/zinc/72/30/50/994723050.db2.gz LOJAZGRBXFWPFX-LJQANCHMSA-N 0 2 415.471 3.863 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3)o2)c2ccccc12 ZINC000481871980 994735605 /nfs/dbraw/zinc/73/56/05/994735605.db2.gz TVTLITZFSAXIAQ-UHFFFAOYSA-N 0 2 422.466 3.573 20 0 HHADLN Cc1cc2sc(NS(=O)(=O)c3cc4c(cc3Cl)OCCO4)nc2cc1F ZINC000481880210 994744790 /nfs/dbraw/zinc/74/47/90/994744790.db2.gz CVKDJXDCOGECNS-UHFFFAOYSA-N 0 2 414.867 3.969 20 0 HHADLN Cn1cc(-c2[nH]ncc2C(=O)NCC2(c3cccc(Cl)c3F)CCCC2)cn1 ZINC000481881421 994745763 /nfs/dbraw/zinc/74/57/63/994745763.db2.gz IFXACYLEPZVGKZ-UHFFFAOYSA-N 0 2 401.873 3.845 20 0 HHADLN O=C(Nc1cc([C@H]2CCCO2)[nH]n1)c1[nH]nc(-c2ccccc2)c1Br ZINC000473849029 994785706 /nfs/dbraw/zinc/78/57/06/994785706.db2.gz VCDLATMVCGTZMN-GFCCVEGCSA-N 0 2 402.252 3.666 20 0 HHADLN Cc1cccc(OC(F)F)c1NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000481961954 994848347 /nfs/dbraw/zinc/84/83/47/994848347.db2.gz GVGDHOJIOYXJFB-UHFFFAOYSA-N 0 2 402.806 3.545 20 0 HHADLN C[C@@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc(OC(F)F)cc1 ZINC000473894179 994848593 /nfs/dbraw/zinc/84/85/93/994848593.db2.gz JZYQXAAAISUTTQ-CYBMUJFWSA-N 0 2 417.416 3.546 20 0 HHADLN Cc1cccc(OC(F)F)c1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000481966615 994855846 /nfs/dbraw/zinc/85/58/46/994855846.db2.gz HHWRGMYEIFNING-UHFFFAOYSA-N 0 2 405.806 3.822 20 0 HHADLN O=C(NCCc1csc2ccccc12)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473910993 994875242 /nfs/dbraw/zinc/87/52/42/994875242.db2.gz MEBRKIAUJZPJBA-UHFFFAOYSA-N 0 2 407.499 3.640 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc(Br)cc2Br)oc1C ZINC000481982401 994879324 /nfs/dbraw/zinc/87/93/24/994879324.db2.gz GHGGHCHZVBCSHI-UHFFFAOYSA-N 0 2 410.087 3.617 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000474027871 995019606 /nfs/dbraw/zinc/01/96/06/995019606.db2.gz DTMXEOCRECDLFE-XJKSGUPXSA-N 0 2 415.856 3.532 20 0 HHADLN CC[C@@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc(F)cc1F ZINC000474050114 995040079 /nfs/dbraw/zinc/04/00/79/995040079.db2.gz BOADILZCGLUZJC-QGZVFWFLSA-N 0 2 401.417 3.612 20 0 HHADLN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1 ZINC000474087642 995069754 /nfs/dbraw/zinc/06/97/54/995069754.db2.gz KDWFIUAUAJVFPX-ZWKOTPCHSA-N 0 2 405.502 3.780 20 0 HHADLN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1 ZINC000474091224 995073653 /nfs/dbraw/zinc/07/36/53/995073653.db2.gz VWGFVMCZLGHBQG-KXBFYZLASA-N 0 2 409.465 3.816 20 0 HHADLN CCOc1ccc(C(=O)CCC(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1F ZINC000474164670 995151743 /nfs/dbraw/zinc/15/17/43/995151743.db2.gz PFRGZPMWWFZNEY-UHFFFAOYSA-N 0 2 405.476 3.828 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccn2)s1)c1ccc(F)c(C(F)(F)F)c1 ZINC000474417018 995381620 /nfs/dbraw/zinc/38/16/20/995381620.db2.gz XAPUFVBRFOXKGL-UHFFFAOYSA-N 0 2 404.370 3.559 20 0 HHADLN CC(=O)N1CCc2cc(S(=O)(=O)Nc3cc(C4CCCCCC4)n[nH]3)ccc21 ZINC000474418761 995383180 /nfs/dbraw/zinc/38/31/80/995383180.db2.gz ZXYZNWBNESSUPJ-UHFFFAOYSA-N 0 2 402.520 3.557 20 0 HHADLN O=C(COc1ccccc1-c1ccccc1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474574646 995536078 /nfs/dbraw/zinc/53/60/78/995536078.db2.gz JRTCOINHAAFDNM-UHFFFAOYSA-N 0 2 414.465 3.746 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1csc(Cc2ccc(F)cc2)n1 ZINC000474574458 995536177 /nfs/dbraw/zinc/53/61/77/995536177.db2.gz HZHXGPZIEZNFKN-UHFFFAOYSA-N 0 2 423.473 3.500 20 0 HHADLN Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474574314 995536507 /nfs/dbraw/zinc/53/65/07/995536507.db2.gz HANSXVIDUQXVKO-UHFFFAOYSA-N 0 2 423.860 3.931 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccccc1C(=O)c1cccs1 ZINC000474574121 995536682 /nfs/dbraw/zinc/53/66/82/995536682.db2.gz CADFSZYUXCKHFM-UHFFFAOYSA-N 0 2 418.478 3.606 20 0 HHADLN Cc1cc(C)c(Br)c(C(=O)NCc2nnc(COc3ccccc3)[nH]2)c1 ZINC000474581242 995540862 /nfs/dbraw/zinc/54/08/62/995540862.db2.gz NSIVNHAPFKLZSG-UHFFFAOYSA-N 0 2 415.291 3.693 20 0 HHADLN Cc1cc(O[C@@H](C)C(=O)NCc2nnc(COc3ccccc3)[nH]2)ccc1C(C)C ZINC000474588380 995547307 /nfs/dbraw/zinc/54/73/07/995547307.db2.gz YMAPJOSZVNIRRX-KRWDZBQOSA-N 0 2 408.502 3.899 20 0 HHADLN Cc1cc(O[C@H](C)C(=O)NCc2nnc(COc3ccccc3)[nH]2)ccc1C(C)C ZINC000474588381 995547725 /nfs/dbraw/zinc/54/77/25/995547725.db2.gz YMAPJOSZVNIRRX-QGZVFWFLSA-N 0 2 408.502 3.899 20 0 HHADLN COc1ccc(Sc2ccc(NC(=O)NCc3n[nH]c(=O)[nH]3)cc2Cl)cc1 ZINC000474739457 995672568 /nfs/dbraw/zinc/67/25/68/995672568.db2.gz LDFGABYDEBZQQU-UHFFFAOYSA-N 0 2 405.867 3.645 20 0 HHADLN C[C@@H]1CCC[C@H](CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)[C@@H]1C ZINC000482696718 995687671 /nfs/dbraw/zinc/68/76/71/995687671.db2.gz RQEUWZVEMKDGKU-IIAWOOMASA-N 0 2 407.561 3.746 20 0 HHADLN COc1cc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)cc(OC)c1C(C)C ZINC000484132838 996588165 /nfs/dbraw/zinc/58/81/65/996588165.db2.gz BJXDSSAXBMFQFW-UHFFFAOYSA-N 0 2 419.478 3.953 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)s[nH]1 ZINC000484339979 996714088 /nfs/dbraw/zinc/71/40/88/996714088.db2.gz YHPHZGKWZREHQL-UHFFFAOYSA-N 0 2 420.589 3.643 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc(Br)cc3C)s[nH]2)c1 ZINC000476348094 996770516 /nfs/dbraw/zinc/77/05/16/996770516.db2.gz KJRBAZOKAOETPU-UHFFFAOYSA-N 0 2 404.289 3.959 20 0 HHADLN COc1ccc(C(=O)N2CCCCCC2)cc1NS(=O)(=O)c1cc(C)cc(F)c1 ZINC000476385496 996829418 /nfs/dbraw/zinc/82/94/18/996829418.db2.gz KBVCRJAKKFSDQA-UHFFFAOYSA-N 0 2 420.506 3.960 20 0 HHADLN O=C(Nc1ccc2ncccc2c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476397525 996851889 /nfs/dbraw/zinc/85/18/89/996851889.db2.gz BHLFEGFUIPIZEA-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN O=C(Nc1cnc2ccccc2c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476407384 996867287 /nfs/dbraw/zinc/86/72/87/996867287.db2.gz PSZKQIJPRVKMCC-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2ccccc2-c2nnc(C)o2)c1 ZINC000476420874 996885592 /nfs/dbraw/zinc/88/55/92/996885592.db2.gz AREGDFWIHXFBSL-UHFFFAOYSA-N 0 2 424.276 3.617 20 0 HHADLN CCC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1)C(C)C ZINC000484571033 996904138 /nfs/dbraw/zinc/90/41/38/996904138.db2.gz YLBIMCWSJVBMMM-GOSISDBHSA-N 0 2 404.536 3.905 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3cc(OC)ccc3Cl)o2)cc1 ZINC000476449949 996923354 /nfs/dbraw/zinc/92/33/54/996923354.db2.gz YPXNPUMUNPOIKE-UHFFFAOYSA-N 0 2 409.851 3.598 20 0 HHADLN COCCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(F)cc(F)c1 ZINC000484694088 997032842 /nfs/dbraw/zinc/03/28/42/997032842.db2.gz KRDNADBVMXLHSG-UHFFFAOYSA-N 0 2 422.247 3.553 20 0 HHADLN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)NC(=O)c1c[nH]c2nc(C)ccc2c1=O ZINC000484732560 997074600 /nfs/dbraw/zinc/07/46/00/997074600.db2.gz DELHUXJSDRYNNZ-JTQLQIEISA-N 0 2 407.396 3.510 20 0 HHADLN CCOCc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000476726823 997275702 /nfs/dbraw/zinc/27/57/02/997275702.db2.gz BYFIYSWIIBCADV-UHFFFAOYSA-N 0 2 417.512 3.733 20 0 HHADLN CC[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476751971 997307488 /nfs/dbraw/zinc/30/74/88/997307488.db2.gz AWSNNGFFTAFNAD-QGZVFWFLSA-N 0 2 415.540 3.695 20 0 HHADLN CCc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)s1 ZINC000485001690 997364480 /nfs/dbraw/zinc/36/44/80/997364480.db2.gz CZESOGKDQLUDOW-UHFFFAOYSA-N 0 2 422.557 3.890 20 0 HHADLN Cc1nc(-c2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3F)cc2)n[nH]1 ZINC000485146791 997530867 /nfs/dbraw/zinc/53/08/67/997530867.db2.gz GEQDFAGIZQXDRV-UHFFFAOYSA-N 0 2 400.357 3.739 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cccc3cc(C)cnc32)nc1C(C)(C)C ZINC000476920334 997531087 /nfs/dbraw/zinc/53/10/87/997531087.db2.gz GMDBDSUBUPCLRL-UHFFFAOYSA-N 0 2 419.528 3.885 20 0 HHADLN COc1cc(S(=O)(=O)Nc2ccnn2Cc2ccccc2)ccc1Br ZINC000476920217 997531447 /nfs/dbraw/zinc/53/14/47/997531447.db2.gz VJILJZGPGLLGQM-UHFFFAOYSA-N 0 2 422.304 3.503 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccccc2)ns1)c1ccc(OC(F)F)c(Cl)c1 ZINC000476941195 997556593 /nfs/dbraw/zinc/55/65/93/997556593.db2.gz PIOLXBCEQDFOIO-UHFFFAOYSA-N 0 2 417.846 3.683 20 0 HHADLN C[C@H]1CCC[C@H](CNC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000485361632 997786435 /nfs/dbraw/zinc/78/64/35/997786435.db2.gz KOBBBYFEDALCOU-KBPBESRZSA-N 0 2 408.549 3.892 20 0 HHADLN Cc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1F ZINC000485362603 997787437 /nfs/dbraw/zinc/78/74/37/997787437.db2.gz VJFLJNCFPVSKSL-UHFFFAOYSA-N 0 2 420.491 3.713 20 0 HHADLN Cc1ccc(CN(C)C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1 ZINC000485362905 997788494 /nfs/dbraw/zinc/78/84/94/997788494.db2.gz NUJGHSPAAXIZFT-UHFFFAOYSA-N 0 2 416.528 3.916 20 0 HHADLN COCc1cccc(NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000485364322 997790162 /nfs/dbraw/zinc/79/01/62/997790162.db2.gz HRAQJIBVOBDDTI-UHFFFAOYSA-N 0 2 418.500 3.734 20 0 HHADLN Cc1cccc(CNC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000485378623 997805738 /nfs/dbraw/zinc/80/57/38/997805738.db2.gz YQAHYSCFGYELJA-UHFFFAOYSA-N 0 2 402.501 3.574 20 0 HHADLN CN(CCc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485379512 997807207 /nfs/dbraw/zinc/80/72/07/997807207.db2.gz SNXVYRXSSNFYIT-UHFFFAOYSA-N 0 2 416.528 3.650 20 0 HHADLN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1cncnc1-n1cccn1 ZINC000485443994 997885232 /nfs/dbraw/zinc/88/52/32/997885232.db2.gz FPFKMEWXUBIYTO-UHFFFAOYSA-N 0 2 405.892 3.640 20 0 HHADLN O=C(Cn1ccc2ccccc21)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485475816 997924004 /nfs/dbraw/zinc/92/40/04/997924004.db2.gz CFXDQWIXKBLAPB-UHFFFAOYSA-N 0 2 412.496 3.537 20 0 HHADLN CC(C)(C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccccc1F ZINC000485485289 997937479 /nfs/dbraw/zinc/93/74/79/997937479.db2.gz BIRDXTUHQHRNEN-UHFFFAOYSA-N 0 2 419.503 3.999 20 0 HHADLN CCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1 ZINC000485493563 997947346 /nfs/dbraw/zinc/94/73/46/997947346.db2.gz QOEXDVIAJSLNAJ-UHFFFAOYSA-N 0 2 403.485 3.595 20 0 HHADLN CC(C)(C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccc(F)cc1 ZINC000485493994 997947635 /nfs/dbraw/zinc/94/76/35/997947635.db2.gz UATGNFXMBVLZCP-UHFFFAOYSA-N 0 2 419.503 3.999 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccc(Cl)cc1F ZINC000485498956 997953377 /nfs/dbraw/zinc/95/33/77/997953377.db2.gz WSSHBLJGTKPCFX-UHFFFAOYSA-N 0 2 411.867 3.989 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccc2ccccc2n1 ZINC000485501740 997957459 /nfs/dbraw/zinc/95/74/59/997957459.db2.gz XGCGFXGYWSRLDF-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN O=C(CCc1cc(F)ccc1F)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485501720 997957820 /nfs/dbraw/zinc/95/78/20/997957820.db2.gz XDWAQKZKULJKQI-UHFFFAOYSA-N 0 2 423.466 3.793 20 0 HHADLN Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000477370022 998057210 /nfs/dbraw/zinc/05/72/10/998057210.db2.gz ABADMHCUEQPUNW-UHFFFAOYSA-N 0 2 410.499 3.988 20 0 HHADLN C[C@@H](c1ccccc1Cl)N1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)CC1 ZINC000485641425 998086319 /nfs/dbraw/zinc/08/63/19/998086319.db2.gz ZUCZMIQKHMPUMR-INIZCTEOSA-N 0 2 410.905 3.750 20 0 HHADLN COc1ccccc1Oc1ccc(NS(=O)(=O)c2cnn(CC(F)F)c2)cc1 ZINC000477527630 998246957 /nfs/dbraw/zinc/24/69/57/998246957.db2.gz VOXNHCQIKWNINH-UHFFFAOYSA-N 0 2 409.414 3.750 20 0 HHADLN COC(=O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(F)cc1Cl ZINC000485799482 998268857 /nfs/dbraw/zinc/26/88/57/998268857.db2.gz IPKRSTZBLZWUTC-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN COc1ccc2[nH]cc(C3=CCN(C(=O)C4=NN(c5ccccc5)CC4=O)CC3)c2c1 ZINC000485829743 998296424 /nfs/dbraw/zinc/29/64/24/998296424.db2.gz KZFSMYGMSBBGJK-UHFFFAOYSA-N 0 2 414.465 3.997 20 0 HHADLN CCOCCC1(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCCC1 ZINC000477717723 998442274 /nfs/dbraw/zinc/44/22/74/998442274.db2.gz NEKZJXUZQJXLQG-UHFFFAOYSA-N 0 2 423.560 3.869 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cnn(-c4ccccc4)c3C(C)C)cc21 ZINC000486097723 998546221 /nfs/dbraw/zinc/54/62/21/998546221.db2.gz ZFDAHVMFVJLUQI-UHFFFAOYSA-N 0 2 424.526 3.706 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2ccc(Br)c(C(=O)OC)c2C)s1 ZINC000486109715 998556829 /nfs/dbraw/zinc/55/68/29/998556829.db2.gz NVHAOKPSZAFQQH-UHFFFAOYSA-N 0 2 418.334 3.969 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(C)C)cc1 ZINC000486111827 998559835 /nfs/dbraw/zinc/55/98/35/998559835.db2.gz SDMKLXNGCFYSLM-UHFFFAOYSA-N 0 2 413.499 3.973 20 0 HHADLN Cc1cc(C)c(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1Br ZINC000486129453 998577839 /nfs/dbraw/zinc/57/78/39/998577839.db2.gz YAJOSYJSPDYKBC-UHFFFAOYSA-N 0 2 412.231 3.626 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1(c2ccc(F)cc2)CC1 ZINC000486211861 998650386 /nfs/dbraw/zinc/65/03/86/998650386.db2.gz BNDBSOLBJKJXSE-UHFFFAOYSA-N 0 2 417.487 3.753 20 0 HHADLN O=C(N[C@@H]1C[C@H]1c1ccc(Br)s1)C1=NN(c2ccccc2)CC1=O ZINC000477993969 998704537 /nfs/dbraw/zinc/70/45/37/998704537.db2.gz SGDHNFAHIGROSR-VXGBXAGGSA-N 0 2 404.289 3.688 20 0 HHADLN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)CC1 ZINC000486528405 998809312 /nfs/dbraw/zinc/80/93/12/998809312.db2.gz ODEVNVGNCBCWCK-MRXNPFEDSA-N 0 2 410.905 3.750 20 0 HHADLN CCOc1cc(Br)ccc1NS(=O)(=O)c1cc(OC)cc(OC)c1 ZINC000486537672 998814153 /nfs/dbraw/zinc/81/41/53/998814153.db2.gz UWEVNQYRMYWTPM-UHFFFAOYSA-N 0 2 416.293 3.666 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)ccc1F ZINC000486556377 998824175 /nfs/dbraw/zinc/82/41/75/998824175.db2.gz AEBPOMCFNKOBLV-UHFFFAOYSA-N 0 2 401.872 3.751 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)s3)nn2C)cc1F ZINC000486562792 998827610 /nfs/dbraw/zinc/82/76/10/998827610.db2.gz RAGQBBIRTXYSAE-UHFFFAOYSA-N 0 2 401.872 3.751 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc(Br)ccc2C)n(-c2cc(C)ccn2)n1 ZINC000486563341 998828074 /nfs/dbraw/zinc/82/80/74/998828074.db2.gz ONUYYCZUXNPVNX-UHFFFAOYSA-N 0 2 421.320 3.756 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(OCC(C)C)cc2)n(-c2cc(C)ccn2)n1 ZINC000486565034 998828976 /nfs/dbraw/zinc/82/89/76/998828976.db2.gz UZIFEODSQOPBDP-UHFFFAOYSA-N 0 2 400.504 3.720 20 0 HHADLN CC(C)n1cc(S(=O)(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)cn1 ZINC000486571990 998833912 /nfs/dbraw/zinc/83/39/12/998833912.db2.gz CPFOSPFTNQHKSW-UHFFFAOYSA-N 0 2 413.425 3.684 20 0 HHADLN COC(=O)CCc1csc(NS(=O)(=O)c2ccccc2-c2ccccc2)n1 ZINC000486584203 998841195 /nfs/dbraw/zinc/84/11/95/998841195.db2.gz GKXVMTXMYDZTFY-UHFFFAOYSA-N 0 2 402.497 3.717 20 0 HHADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCO[C@H](c2ccccc2F)C1 ZINC000478282343 998863043 /nfs/dbraw/zinc/86/30/43/998863043.db2.gz PGWBOVHGNPMUTB-SFHVURJKSA-N 0 2 401.825 3.584 20 0 HHADLN CCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1 ZINC000478318854 998885043 /nfs/dbraw/zinc/88/50/43/998885043.db2.gz YPUSGOVVJQZWDC-UHFFFAOYSA-N 0 2 400.385 3.750 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000478321483 998886797 /nfs/dbraw/zinc/88/67/97/998886797.db2.gz XARMZSRVNQGBMR-UHFFFAOYSA-N 0 2 400.776 3.841 20 0 HHADLN COc1ccccc1-c1n[nH]c(NC(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)n1 ZINC000486901543 998998688 /nfs/dbraw/zinc/99/86/88/998998688.db2.gz PXAXLEQFBNRBDN-UHFFFAOYSA-N 0 2 421.438 3.585 20 0 HHADLN C[C@H](NC(=O)C1=NN(c2ccccc2)CC1=O)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000486990479 999028735 /nfs/dbraw/zinc/02/87/35/999028735.db2.gz XFISMLJTNNGWIH-GAJHUEQPSA-N 0 2 421.497 3.633 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc4ccc(OC)cc4nc3C)s[nH]2)c1 ZINC000478668371 999079213 /nfs/dbraw/zinc/07/92/13/999079213.db2.gz NECSPUJJTGQRAD-UHFFFAOYSA-N 0 2 406.467 3.753 20 0 HHADLN CC[C@H](C)c1ncc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cn1 ZINC000478709490 999099694 /nfs/dbraw/zinc/09/96/94/999099694.db2.gz KMJXNFWUXQYALP-QMMMGPOBSA-N 0 2 406.252 3.832 20 0 HHADLN C[C@@H](C(=O)c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000478770573 999132315 /nfs/dbraw/zinc/13/23/15/999132315.db2.gz KOVCMWZYQXUUDR-NSHDSACASA-N 0 2 400.374 3.522 20 0 HHADLN CC(C)S(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000487361318 999147325 /nfs/dbraw/zinc/14/73/25/999147325.db2.gz WAOPOTMSLGRGNC-UHFFFAOYSA-N 0 2 405.900 3.603 20 0 HHADLN C[C@H](NC(=O)N=c1nc(-c2ccccc2)[nH]s1)c1ccc(Br)cn1 ZINC000478901268 999201593 /nfs/dbraw/zinc/20/15/93/999201593.db2.gz MCOWYGLRIHPBJZ-JTQLQIEISA-N 0 2 404.293 3.667 20 0 HHADLN COc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3)c(F)cc2C)nc1 ZINC000487506720 999202221 /nfs/dbraw/zinc/20/22/21/999202221.db2.gz VTUQMQJAMZPOTL-UHFFFAOYSA-N 0 2 415.446 3.591 20 0 HHADLN CC[C@@H](C)n1nc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1C ZINC000478969253 999227874 /nfs/dbraw/zinc/22/78/74/999227874.db2.gz WEAPVPNJXMQIMS-GFCCVEGCSA-N 0 2 419.532 3.672 20 0 HHADLN Cn1cc(CN(Cc2ccc(Cl)cc2)C(=O)C2=NN(c3ccccc3)CC2=O)cn1 ZINC000487666958 999247018 /nfs/dbraw/zinc/24/70/18/999247018.db2.gz NPJAPNZVRKXFHG-UHFFFAOYSA-N 0 2 421.888 3.807 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000479259338 999351602 /nfs/dbraw/zinc/35/16/02/999351602.db2.gz KXQMHVAIYQQCOR-UHFFFAOYSA-N 0 2 410.499 3.899 20 0 HHADLN CCCC[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3c(OC)cc(OC)cc3OC)c2C1 ZINC000488261445 999414639 /nfs/dbraw/zinc/41/46/39/999414639.db2.gz XICTYRGUZOLROD-UHFFFAOYSA-N 0 2 420.531 3.629 20 0 HHADLN CCCC[N@H+]1Cc2cccc([N-]S(=O)(=O)c3c(OC)cc(OC)cc3OC)c2C1 ZINC000488261445 999414641 /nfs/dbraw/zinc/41/46/41/999414641.db2.gz XICTYRGUZOLROD-UHFFFAOYSA-N 0 2 420.531 3.629 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)c(OC)c1 ZINC000488278698 999421546 /nfs/dbraw/zinc/42/15/46/999421546.db2.gz JQELTUIWTUIWQI-UHFFFAOYSA-N 0 2 407.488 3.742 20 0 HHADLN CCc1ccc(O)c(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)c1 ZINC000488279302 999421587 /nfs/dbraw/zinc/42/15/87/999421587.db2.gz BYACJQWUUKOCJY-CQSZACIVSA-N 0 2 411.907 3.824 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)cc2n[nH]cc21 ZINC000488302589 999430859 /nfs/dbraw/zinc/43/08/59/999430859.db2.gz XLYLPBUDZXPZDT-ZDUSSCGKSA-N 0 2 421.906 3.741 20 0 HHADLN COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccccc1C(=O)c1ccccc1 ZINC000479487247 999439192 /nfs/dbraw/zinc/43/91/92/999439192.db2.gz GNJHXEDOWYTZAP-UHFFFAOYSA-N 0 2 413.426 3.644 20 0 HHADLN O=c1[nH]c2cc(Br)c(S(=O)(=O)Nc3ccccc3)c(Cl)c2o1 ZINC000479495438 999443756 /nfs/dbraw/zinc/44/37/56/999443756.db2.gz HCHMHWQTOUYPNA-UHFFFAOYSA-N 0 2 403.641 3.750 20 0 HHADLN COc1ccccc1-c1cccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)c1 ZINC000479499192 999445888 /nfs/dbraw/zinc/44/58/88/999445888.db2.gz SZAOKKUNVTUVBJ-UHFFFAOYSA-N 0 2 411.405 3.922 20 0 HHADLN COc1ccc(Cn2ccc(NS(=O)(=O)c3ccc(OC(C)C)c(C)c3)n2)cc1 ZINC000488336762 999446663 /nfs/dbraw/zinc/44/66/63/999446663.db2.gz UPUCVBOUTUYVGB-UHFFFAOYSA-N 0 2 415.515 3.836 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 ZINC000479520336 999457474 /nfs/dbraw/zinc/45/74/74/999457474.db2.gz ZEFDZIAVHIMLGI-HNNXBMFYSA-N 0 2 418.515 3.519 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)cc1 ZINC000479525126 999460363 /nfs/dbraw/zinc/46/03/63/999460363.db2.gz DONLZGZZJWPSOJ-UHFFFAOYSA-N 0 2 404.879 3.675 20 0 HHADLN COc1cc(NC(C)=O)ccc1NS(=O)(=O)c1ccccc1C(=O)c1ccccc1 ZINC000479532022 999463902 /nfs/dbraw/zinc/46/39/02/999463902.db2.gz XFWQMERYTZZLKI-UHFFFAOYSA-N 0 2 424.478 3.685 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000488391139 999471416 /nfs/dbraw/zinc/47/14/16/999471416.db2.gz WNWNNVOQWMASNW-CQSZACIVSA-N 0 2 411.907 3.703 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ccc(OC(F)F)c4cccnc34)cc12 ZINC000479554918 999475493 /nfs/dbraw/zinc/47/54/93/999475493.db2.gz NLAJQSWNTIIYAD-UHFFFAOYSA-N 0 2 420.397 3.736 20 0 HHADLN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1cn(-c2ccccc2Cl)nn1 ZINC000479671002 999529912 /nfs/dbraw/zinc/52/99/12/999529912.db2.gz FAFXINCPECRROS-UHFFFAOYSA-N 0 2 400.229 3.612 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)sc1C ZINC000488579530 999534171 /nfs/dbraw/zinc/53/41/71/999534171.db2.gz JNAVIWAMRHCQDO-LBPRGKRZSA-N 0 2 402.925 3.629 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2nc3c(cc(C)cc3C)s2)c(OC)c1 ZINC000488591350 999538710 /nfs/dbraw/zinc/53/87/10/999538710.db2.gz PWFRBFWVRDAUMS-UHFFFAOYSA-N 0 2 408.501 3.740 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCCCO2)oc1C ZINC000488594990 999539814 /nfs/dbraw/zinc/53/98/14/999539814.db2.gz LJVMCQAAJJOJTA-CQSZACIVSA-N 0 2 400.884 3.694 20 0 HHADLN CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1 ZINC000479761918 999577732 /nfs/dbraw/zinc/57/77/32/999577732.db2.gz DREYHYLONIOPFA-SNVBAGLBSA-N 0 2 417.441 3.828 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccc(OCc2ccccn2)cc1 ZINC000479765814 999580262 /nfs/dbraw/zinc/58/02/62/999580262.db2.gz KAWRAFQOQUKVCL-UHFFFAOYSA-N 0 2 407.380 3.976 20 0 HHADLN Cn1c(=O)ccc2ccc(NC(=O)N=c3nc(-c4ccccc4Cl)[nH]s3)cc21 ZINC000488775477 999603835 /nfs/dbraw/zinc/60/38/35/999603835.db2.gz LMGSHBLTGIPVBX-UHFFFAOYSA-N 0 2 411.874 3.776 20 0 HHADLN O=C(NCc1coc2ccccc12)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000488993462 999666900 /nfs/dbraw/zinc/66/69/00/999666900.db2.gz NTTSOWVBJBLKHO-UHFFFAOYSA-N 0 2 413.480 3.620 20 0 HHADLN Cc1ccc(OCc2nc(NS(=O)(=O)c3ccc(C(=O)C(C)C)cc3)no2)cc1 ZINC000480102572 999717844 /nfs/dbraw/zinc/71/78/44/999717844.db2.gz FUVALILVIMJMDN-UHFFFAOYSA-N 0 2 415.471 3.597 20 0 HHADLN Cc1ccc(OCc2nc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)no2)cc1 ZINC000480102732 999717936 /nfs/dbraw/zinc/71/79/36/999717936.db2.gz HVBLDLPZVBZOSG-UHFFFAOYSA-N 0 2 413.377 3.777 20 0 HHADLN CCOC(=O)c1ccsc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000480106218 999718752 /nfs/dbraw/zinc/71/87/52/999718752.db2.gz UWZUOLCZDPFLKB-UHFFFAOYSA-N 0 2 411.835 3.980 20 0 HHADLN Cc1ccc(-n2ncc(NS(=O)(=O)c3ccc4[nH]c(=O)oc4c3)c2C(C)C)cc1 ZINC000480200969 999743333 /nfs/dbraw/zinc/74/33/33/999743333.db2.gz QXMWMUINCGEDDP-UHFFFAOYSA-N 0 2 412.471 3.952 20 0 HHADLN COc1ccc(Br)cc1S(=O)(=O)Nc1c2c(ccc1OC)CCC2 ZINC000480200579 999743383 /nfs/dbraw/zinc/74/33/83/999743383.db2.gz UYTBEDJXOIWXDG-UHFFFAOYSA-N 0 2 412.305 3.756 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(C(=O)OC)cc2C)cnn1-c1ccccc1C ZINC000480205082 999744618 /nfs/dbraw/zinc/74/46/18/999744618.db2.gz ZUCLTQJAUAVLMF-UHFFFAOYSA-N 0 2 413.499 3.639 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)c(F)c1 ZINC000480210999 999746546 /nfs/dbraw/zinc/74/65/46/999746546.db2.gz ATDQHWRXQQESJC-AWEZNQCLSA-N 0 2 406.479 3.650 20 0 HHADLN CCc1c(NS(=O)(=O)c2c(C)nn(CC)c2C)cnn1-c1cccc(Cl)c1 ZINC000480217994 999748274 /nfs/dbraw/zinc/74/82/74/999748274.db2.gz BXGWEWUOQNRONT-UHFFFAOYSA-N 0 2 407.927 3.722 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)cnn1-c1ccc(Cl)cc1 ZINC000480220510 999748804 /nfs/dbraw/zinc/74/88/04/999748804.db2.gz GTUVQJOMFSDQPA-UHFFFAOYSA-N 0 2 421.906 3.906 20 0 HHADLN CC(C)COc1ccc(S(=O)(=O)Nc2noc(COc3ccc(F)cc3)n2)cc1 ZINC000480230265 999751219 /nfs/dbraw/zinc/75/12/19/999751219.db2.gz CHLWKMOKBXLSSQ-UHFFFAOYSA-N 0 2 421.450 3.623 20 0 HHADLN COc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(OC)cc3F)cn2)cc1 ZINC000480231013 999751627 /nfs/dbraw/zinc/75/16/27/999751627.db2.gz VZMBEXPGLSIMSN-UHFFFAOYSA-N 0 2 404.419 3.831 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(=O)[nH]c4c(F)cc(C)cc34)s[nH]2)c1 ZINC000489430628 999765913 /nfs/dbraw/zinc/76/59/13/999765913.db2.gz MTQSFLBXTIVINS-UHFFFAOYSA-N 0 2 410.430 3.589 20 0 HHADLN O=c1nc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)[nH]c2ccsc21 ZINC000489445412 999769056 /nfs/dbraw/zinc/76/90/56/999769056.db2.gz FFCPKFGWYXBHFU-UHFFFAOYSA-N 0 2 422.495 3.984 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000490088556 999891251 /nfs/dbraw/zinc/89/12/51/999891251.db2.gz PEGSCZJXBZBMJA-RBSFLKMASA-N 0 2 420.560 3.884 20 0 HHADLN COCCOc1ccccc1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000491571574 1000084464 /nfs/dbraw/zinc/08/44/64/1000084464.db2.gz FTMCFLREKIMMBT-UHFFFAOYSA-N 0 2 420.712 3.929 20 0 HHADLN CCc1c(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)cnn1CCC(C)C ZINC000491584744 1000086187 /nfs/dbraw/zinc/08/61/87/1000086187.db2.gz WZTSRZPKMSFGIW-UHFFFAOYSA-N 0 2 405.499 3.617 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(C)c(Br)c(C)c2)cnn1-c1ccccn1 ZINC000491594176 1000087356 /nfs/dbraw/zinc/08/73/56/1000087356.db2.gz NLXANIFFTZCXCV-UHFFFAOYSA-N 0 2 421.320 3.756 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccccc3C)cc2)nc(C)n1 ZINC000504488071 1000230708 /nfs/dbraw/zinc/23/07/08/1000230708.db2.gz KFHOIYBDHSQJOL-UHFFFAOYSA-N 0 2 424.526 3.774 20 0 HHADLN COc1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)c(C)n1 ZINC000504536416 1000256283 /nfs/dbraw/zinc/25/62/83/1000256283.db2.gz NCVTUMFJMLFWHF-UHFFFAOYSA-N 0 2 409.664 3.754 20 0 HHADLN CCCc1csc(NS(=O)(=O)c2cc(N(C)C)ccc2Br)n1 ZINC000504540812 1000258126 /nfs/dbraw/zinc/25/81/26/1000258126.db2.gz DRHXGSOGCBFRBP-UHFFFAOYSA-N 0 2 404.355 3.725 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000504724558 1000342737 /nfs/dbraw/zinc/34/27/37/1000342737.db2.gz HMQQCYFNHGTAGP-JKSUJKDBSA-N 0 2 415.906 3.717 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 ZINC000494245012 1000384368 /nfs/dbraw/zinc/38/43/68/1000384368.db2.gz NLCKMEATSPPVKK-MOPGFXCFSA-N 0 2 416.510 3.874 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(-c3nc(CC(C)C)no3)ccc2F)cc1 ZINC000504879093 1000423028 /nfs/dbraw/zinc/42/30/28/1000423028.db2.gz MBIJXMQBIYHPEP-UHFFFAOYSA-N 0 2 405.451 3.884 20 0 HHADLN CC(C)(C)c1ccccc1S(=O)(=O)Nc1cccc(Cl)c1S(C)(=O)=O ZINC000494333525 1000438267 /nfs/dbraw/zinc/43/82/67/1000438267.db2.gz OPZPLTYMDGGONA-UHFFFAOYSA-N 0 2 401.937 3.842 20 0 HHADLN CC[C@@H](CC(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1)c1ccccc1 ZINC000504997744 1000497546 /nfs/dbraw/zinc/49/75/46/1000497546.db2.gz DUDRSBUFANAKJR-AWEZNQCLSA-N 0 2 416.528 3.861 20 0 HHADLN COc1cc(C)c(Br)cc1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000505207058 1000618579 /nfs/dbraw/zinc/61/85/79/1000618579.db2.gz JXDFSFWMTLIWAS-UHFFFAOYSA-N 0 2 422.304 3.749 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NCCCc3c[nH]c4ccc(F)cc34)=N2)cc1 ZINC000506233164 1001295659 /nfs/dbraw/zinc/29/56/59/1001295659.db2.gz UFKXEHSEJOAFNO-UHFFFAOYSA-N 0 2 408.433 3.570 20 0 HHADLN O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1nc[nH]c1C(=O)c1ccccc1 ZINC000506256699 1001311518 /nfs/dbraw/zinc/31/15/18/1001311518.db2.gz YJKZBHQCRIGMFO-UHFFFAOYSA-N 0 2 423.885 3.989 20 0 HHADLN CCC[C@H](NC(=O)CSc1nc(=O)cc(O)n1C1CCCC1)c1ccccc1 ZINC000497437388 1001364348 /nfs/dbraw/zinc/36/43/48/1001364348.db2.gz JLVKRDVRPCOQNJ-KRWDZBQOSA-N 0 2 401.532 3.814 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2cncc(Br)c2)c1 ZINC000497846411 1001535081 /nfs/dbraw/zinc/53/50/81/1001535081.db2.gz HHAILUWWOMQSGM-UHFFFAOYSA-N 0 2 406.099 3.716 20 0 HHADLN O=S(=O)(Nc1nnc(C(F)F)s1)c1cc(Cl)c(Br)cc1F ZINC000506806787 1001540720 /nfs/dbraw/zinc/54/07/20/1001540720.db2.gz PEESPYOHHDBLJG-UHFFFAOYSA-N 0 2 422.635 3.832 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc3c(ccc(F)c3C)s2)c1 ZINC000506831012 1001554811 /nfs/dbraw/zinc/55/48/11/1001554811.db2.gz UGZMZHIJNQFWEZ-UHFFFAOYSA-N 0 2 424.475 3.730 20 0 HHADLN CCc1cccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c1 ZINC000506843666 1001561102 /nfs/dbraw/zinc/56/11/02/1001561102.db2.gz ZPTMFRCFOGGYJN-UHFFFAOYSA-N 0 2 424.526 3.638 20 0 HHADLN CCc1nc(-c2ccccc2NS(=O)(=O)c2cc(C)ccc2Br)n[nH]1 ZINC000498017204 1001606470 /nfs/dbraw/zinc/60/64/70/1001606470.db2.gz XZCGIEOFXRVPFR-UHFFFAOYSA-N 0 2 421.320 3.906 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2ccccc2O[C@@H]2CCOC2)c1 ZINC000498032169 1001614102 /nfs/dbraw/zinc/61/41/02/1001614102.db2.gz CPYCVQPYMQDUPC-CYBMUJFWSA-N 0 2 412.305 3.726 20 0 HHADLN CC(=O)N1CCN(C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)CC12CCCCC2 ZINC000498631775 1002033428 /nfs/dbraw/zinc/03/34/28/1002033428.db2.gz UGAOXPLYTOUQJZ-UHFFFAOYSA-N 0 2 424.545 3.709 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2F)c(C)cc1Br ZINC000507601697 1002208530 /nfs/dbraw/zinc/20/85/30/1002208530.db2.gz PFYSRVWYADDPHT-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2cc(F)c(Br)c(Cl)c2)c1C ZINC000507643649 1002244610 /nfs/dbraw/zinc/24/46/10/1002244610.db2.gz IGFGEWICUNDAKB-UHFFFAOYSA-N 0 2 410.696 3.876 20 0 HHADLN COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(Cl)cc1OC(F)F)c1ccccc1 ZINC000507888668 1002421598 /nfs/dbraw/zinc/42/15/98/1002421598.db2.gz MPYRPAZGALYPOO-ZDUSSCGKSA-N 0 2 419.833 3.640 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2cc(Cc3ccccc3)ccc2O)c1 ZINC000507890189 1002423279 /nfs/dbraw/zinc/42/32/79/1002423279.db2.gz PZGYNULLWOKBGY-UHFFFAOYSA-N 0 2 413.495 3.939 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ccc2c(c1)COC2 ZINC000507890115 1002423731 /nfs/dbraw/zinc/42/37/31/1002423731.db2.gz GENBHOGQVSSLEV-UHFFFAOYSA-N 0 2 402.255 3.611 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc4nc(C5CC5)sc4c3)cnc2c1Cl ZINC000499156207 1002540147 /nfs/dbraw/zinc/54/01/47/1002540147.db2.gz HDSXYWVSAITZQU-UHFFFAOYSA-N 0 2 419.919 3.979 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc(OC(C)C)c(Cl)c3)cnc2c1Cl ZINC000499157195 1002541089 /nfs/dbraw/zinc/54/10/89/1002541089.db2.gz LWIONDCZXCNWQH-UHFFFAOYSA-N 0 2 415.302 3.933 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc3c(s2)CSCC3)cc1Br ZINC000508070715 1002592858 /nfs/dbraw/zinc/59/28/58/1002592858.db2.gz XORUPFCHUWXSIV-UHFFFAOYSA-N 0 2 421.363 3.504 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2nc3c(s2)CSCC3)c1Br ZINC000508075071 1002597152 /nfs/dbraw/zinc/59/71/52/1002597152.db2.gz VRWAKVHBDMEYDK-UHFFFAOYSA-N 0 2 405.364 3.804 20 0 HHADLN COCCc1ccc(S(=O)(=O)Nc2cc(-c3ccc(F)cc3)nc(C)n2)cc1 ZINC000508086954 1002608955 /nfs/dbraw/zinc/60/89/55/1002608955.db2.gz UBZUDRLUHVJXBL-UHFFFAOYSA-N 0 2 401.463 3.581 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)F)c2)o1)c1ccc(Cl)cc1F ZINC000508088357 1002611242 /nfs/dbraw/zinc/61/12/42/1002611242.db2.gz ZKMJYHRDOKHYGX-UHFFFAOYSA-N 0 2 419.768 3.931 20 0 HHADLN Cc1nc([N-]S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)cc(-c2ccc(F)cc2)n1 ZINC000508095664 1002620766 /nfs/dbraw/zinc/62/07/66/1002620766.db2.gz OFAKMBZRKGRXAD-UHFFFAOYSA-N 0 2 423.473 3.637 20 0 HHADLN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1ccccc1Br ZINC000508105828 1002630311 /nfs/dbraw/zinc/63/03/11/1002630311.db2.gz YTAIQOYFXNEDDI-UHFFFAOYSA-N 0 2 403.323 3.600 20 0 HHADLN O=S(=O)(Cc1ccc(Br)cc1)Nc1nc(C2CCOCC2)cs1 ZINC000508109307 1002635643 /nfs/dbraw/zinc/63/56/43/1002635643.db2.gz JEUSIFXNEAPUGR-UHFFFAOYSA-N 0 2 417.350 3.742 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)c1Br ZINC000508111588 1002638679 /nfs/dbraw/zinc/63/86/79/1002638679.db2.gz WDYCVCBEYDCGTH-UHFFFAOYSA-N 0 2 417.350 3.909 20 0 HHADLN Cc1ccc(C)c(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)o2)c1 ZINC000508126069 1002656198 /nfs/dbraw/zinc/65/61/98/1002656198.db2.gz CANWDPWMAJIALN-UHFFFAOYSA-N 0 2 408.277 3.917 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2ncc(-c3ccccn3)s2)cc1OCC ZINC000508127049 1002657283 /nfs/dbraw/zinc/65/72/83/1002657283.db2.gz XGZCSEJVSSLLRJ-UHFFFAOYSA-N 0 2 405.501 3.803 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc3n[nH]cc3c(C)c2)cnn1-c1ccc(Cl)cc1 ZINC000499267404 1002671244 /nfs/dbraw/zinc/67/12/44/1002671244.db2.gz UMWBTJHBXZXUNN-UHFFFAOYSA-N 0 2 401.879 3.820 20 0 HHADLN COC(=O)c1nccc2c1cccc2S(=O)(=O)Nc1cc(-c2ccccc2C)n[nH]1 ZINC000499288118 1002699232 /nfs/dbraw/zinc/69/92/32/1002699232.db2.gz AUXKYPWUGHNABL-UHFFFAOYSA-N 0 2 422.466 3.521 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc4nc(C5CC5)oc4c3)cnc2c1Cl ZINC000499288876 1002700693 /nfs/dbraw/zinc/70/06/93/1002700693.db2.gz DKDJOYLBSCJKTB-UHFFFAOYSA-N 0 2 403.851 3.511 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cnn(-c3ccccc3)c2)o1)c1csc2ccccc21 ZINC000508189122 1002724467 /nfs/dbraw/zinc/72/44/67/1002724467.db2.gz ZFKDTZMDFSEMJK-UHFFFAOYSA-N 0 2 423.479 3.938 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nc(C)cc(C2CC2)n1 ZINC000508241189 1002766956 /nfs/dbraw/zinc/76/69/56/1002766956.db2.gz PSPAHAGSXIQHJI-UHFFFAOYSA-N 0 2 416.286 3.557 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)=N2)cc1 ZINC000499558228 1002939028 /nfs/dbraw/zinc/93/90/28/1002939028.db2.gz LQTIDMLIZPLDCI-IBGZPJMESA-N 0 2 405.458 3.590 20 0 HHADLN C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000499592456 1002967840 /nfs/dbraw/zinc/96/78/40/1002967840.db2.gz FFELRVMYHRNHFH-SNVBAGLBSA-N 0 2 409.353 3.999 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](C)Cc3nc4ccccc4s3)=N2)cc1 ZINC000499703180 1003053552 /nfs/dbraw/zinc/05/35/52/1003053552.db2.gz UVAIJPXWCZMCOW-ZDUSSCGKSA-N 0 2 408.483 3.557 20 0 HHADLN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499721893 1003069317 /nfs/dbraw/zinc/06/93/17/1003069317.db2.gz LEBUQRLRLJOXTC-UHFFFAOYSA-N 0 2 409.339 3.888 20 0 HHADLN Cc1ccc(C)c([C@H]2CN(C(=O)C3=NN(c4ccc(F)cc4)CC3=O)[C@H](C)CO2)c1 ZINC000499847649 1003184088 /nfs/dbraw/zinc/18/40/88/1003184088.db2.gz MZSMLFGAPDZGAC-IIBYNOLFSA-N 0 2 409.461 3.936 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CC[C@H](Oc4cccc(Cl)c4)C3)=N2)cc1 ZINC000499876408 1003212166 /nfs/dbraw/zinc/21/21/66/1003212166.db2.gz NBIGKTYAVROJNQ-SFHVURJKSA-N 0 2 413.861 3.533 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCc2cccc(Br)c2C1 ZINC000500101982 1003464340 /nfs/dbraw/zinc/46/43/40/1003464340.db2.gz ZJZZEWBBVFTARK-UHFFFAOYSA-N 0 2 416.250 3.678 20 0 HHADLN CSc1cccc(S(=O)(=O)Nc2ccc(I)c(C)n2)c1 ZINC000509209352 1003625545 /nfs/dbraw/zinc/62/55/45/1003625545.db2.gz HMDMAZNGOZWOGR-UHFFFAOYSA-N 0 2 420.297 3.517 20 0 HHADLN CCCNC(=O)c1cccc(NS(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000500331864 1003629913 /nfs/dbraw/zinc/62/99/13/1003629913.db2.gz RHRRWUYGNYZECX-UHFFFAOYSA-N 0 2 415.284 3.529 20 0 HHADLN O=C(Nc1cccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c1)c1ccoc1 ZINC000500343095 1003641777 /nfs/dbraw/zinc/64/17/77/1003641777.db2.gz CPLVEXVNKYKCBK-UHFFFAOYSA-N 0 2 408.439 3.518 20 0 HHADLN COc1ccccc1-c1nnc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C)o1 ZINC000509240675 1003647491 /nfs/dbraw/zinc/64/74/91/1003647491.db2.gz NRCKOUGGTKBKRS-UHFFFAOYSA-N 0 2 413.377 3.873 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1Br ZINC000500469683 1003733939 /nfs/dbraw/zinc/73/39/39/1003733939.db2.gz KQCONLYBCHLSGW-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN COc1cncc(S(=O)(=O)Nc2nc3c(s2)C[C@H](c2ccccc2)CC3)c1 ZINC000500477304 1003738543 /nfs/dbraw/zinc/73/85/43/1003738543.db2.gz UCMPCYDMNLKPOI-CQSZACIVSA-N 0 2 401.513 3.620 20 0 HHADLN O=S(=O)(Nc1cncc(F)c1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000500544927 1003773033 /nfs/dbraw/zinc/77/30/33/1003773033.db2.gz LCKPHNVVKLAHKD-HNNXBMFYSA-N 0 2 400.859 3.623 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)cc1F ZINC000509376492 1003805106 /nfs/dbraw/zinc/80/51/06/1003805106.db2.gz AHNACZUEWQNETB-UHFFFAOYSA-N 0 2 408.348 3.965 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc(Cc2ccccn2)ccc1C ZINC000509389792 1003818876 /nfs/dbraw/zinc/81/88/76/1003818876.db2.gz VMXYDJRJWKRKMQ-UHFFFAOYSA-N 0 2 416.524 3.938 20 0 HHADLN Cc1cc(N2CC[NH+]=C2[O-])ccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1C ZINC000509393432 1003824250 /nfs/dbraw/zinc/82/42/50/1003824250.db2.gz ZENBPLPYWJKABE-UHFFFAOYSA-N 0 2 413.421 3.653 20 0 HHADLN Cc1cc(CN(C)C(=O)c2c[nH]c3c(cnn3C)c2=O)cc(C)c1OCC(F)(F)F ZINC000511909562 1003885137 /nfs/dbraw/zinc/88/51/37/1003885137.db2.gz JRSQXXAEXOTODB-UHFFFAOYSA-N 0 2 422.407 3.504 20 0 HHADLN O=S(=O)(Nc1ccccc1OCCc1ccccc1)c1cccc2c1OCCO2 ZINC000509538904 1003932623 /nfs/dbraw/zinc/93/26/23/1003932623.db2.gz HQVYJZMBFUUWLX-UHFFFAOYSA-N 0 2 411.479 3.880 20 0 HHADLN Cc1cc(C(=O)N2CCC(C)CC2)ccc1NS(=O)(=O)c1cccc(F)c1F ZINC000509571763 1003952719 /nfs/dbraw/zinc/95/27/19/1003952719.db2.gz SZCYBSNOFMBOJD-UHFFFAOYSA-N 0 2 408.470 3.946 20 0 HHADLN O=S(=O)(Nc1cccc(OCc2ccccn2)c1)c1cnn(Cc2ccccc2)c1 ZINC000509588294 1003964019 /nfs/dbraw/zinc/96/40/19/1003964019.db2.gz VJODQXZGCTYYTO-UHFFFAOYSA-N 0 2 420.494 3.706 20 0 HHADLN O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1 ZINC000509596932 1003970102 /nfs/dbraw/zinc/97/01/02/1003970102.db2.gz WCXOYIQXJVCNCX-UHFFFAOYSA-N 0 2 402.422 3.696 20 0 HHADLN O=S(=O)(Nc1nc2c(ccc(F)c2F)s1)c1cnn(Cc2ccccc2)c1 ZINC000500869020 1004015591 /nfs/dbraw/zinc/01/55/91/1004015591.db2.gz RGZUDUNQEVGXGW-UHFFFAOYSA-N 0 2 406.439 3.620 20 0 HHADLN COC(=O)c1nccc2c1cccc2S(=O)(=O)Nc1ccc(-c2ccccc2)cn1 ZINC000500874836 1004020492 /nfs/dbraw/zinc/02/04/92/1004020492.db2.gz HTRLYWQQILSUHU-UHFFFAOYSA-N 0 2 419.462 3.884 20 0 HHADLN CCCCc1nnc(NS(=O)(=O)c2cc(N(C)C)ccc2Br)s1 ZINC000500880707 1004024863 /nfs/dbraw/zinc/02/48/63/1004024863.db2.gz OAXHAQWIBYEDBU-UHFFFAOYSA-N 0 2 419.370 3.510 20 0 HHADLN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000500921551 1004052863 /nfs/dbraw/zinc/05/28/63/1004052863.db2.gz FSOZZOPTORSYKX-INIZCTEOSA-N 0 2 415.856 3.657 20 0 HHADLN CCc1c(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)nnn1-c1cccc(Cl)c1 ZINC000500923541 1004054316 /nfs/dbraw/zinc/05/43/16/1004054316.db2.gz KAWWDFOTDJDPRM-UHFFFAOYSA-N 0 2 411.828 3.660 20 0 HHADLN C[C@H]1CCN(C(=O)c2c[nH]c3c(cnn3C)c2=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000512160957 1004067463 /nfs/dbraw/zinc/06/74/63/1004067463.db2.gz TUIWMTAYPNJGOY-ZBEGNZNMSA-N 0 2 404.392 3.916 20 0 HHADLN COc1ccc2c(c1)CN(C(=O)c1c[nH]c3c(cnn3C)c1=O)[C@H](c1ccccc1)C2 ZINC000512170942 1004074272 /nfs/dbraw/zinc/07/42/72/1004074272.db2.gz NXSGKJWUKVSZGL-NRFANRHFSA-N 0 2 414.465 3.622 20 0 HHADLN COc1cc(F)c([C@@H](C)NC(=O)N=c2nc(-c3ccccc3)[nH]s2)cc1OC ZINC000512231328 1004131712 /nfs/dbraw/zinc/13/17/12/1004131712.db2.gz WKARPCDRUWMCMK-LLVKDONJSA-N 0 2 402.451 3.666 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2nc(-c3ccccc3Cl)ns2)cc1F ZINC000512347147 1004235073 /nfs/dbraw/zinc/23/50/73/1004235073.db2.gz JWTHCEOXLQNWMQ-UHFFFAOYSA-N 0 2 401.847 3.668 20 0 HHADLN CC[C@@H]1CN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)C[C@@H](C)[S@@]1=O ZINC000512422319 1004288205 /nfs/dbraw/zinc/28/82/05/1004288205.db2.gz ZCRFFBOPCSKVRX-YFBHESTHSA-N 0 2 419.547 3.522 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cn(-c3ccccc3)nc2C)ccc1Br ZINC000510108646 1004329275 /nfs/dbraw/zinc/32/92/75/1004329275.db2.gz FQRFGFPKNLUYHG-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN O=C(c1csc(-c2cccc(C(F)(F)F)c2)n1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510266500 1004436388 /nfs/dbraw/zinc/43/63/88/1004436388.db2.gz BSAWMZLNLSCCOI-LLVKDONJSA-N 0 2 423.420 3.672 20 0 HHADLN COc1cc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)cc(OC)c1 ZINC000512663398 1004473704 /nfs/dbraw/zinc/47/37/04/1004473704.db2.gz LAMMVTYCGLUALJ-UHFFFAOYSA-N 0 2 405.501 3.573 20 0 HHADLN COc1cccc(OC)c1CNc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000512663648 1004473841 /nfs/dbraw/zinc/47/38/41/1004473841.db2.gz ODDFBADFYJXKMI-UHFFFAOYSA-N 0 2 405.501 3.573 20 0 HHADLN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000512742172 1004531540 /nfs/dbraw/zinc/53/15/40/1004531540.db2.gz IEHJIMPPXCEQDH-UHFFFAOYSA-N 0 2 402.859 3.893 20 0 HHADLN Cc1csc([C@@H]2COCCN2C(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)n1 ZINC000501818723 1004756755 /nfs/dbraw/zinc/75/67/55/1004756755.db2.gz VWYIVEYBPHSDKX-KRWDZBQOSA-N 0 2 412.515 3.680 20 0 HHADLN Cc1cc(C)n(-c2ccc(C(F)(F)F)cc2NS(=O)(=O)c2cncc(F)c2)n1 ZINC000501842625 1004770880 /nfs/dbraw/zinc/77/08/80/1004770880.db2.gz PMTHUXXJHAGRGC-UHFFFAOYSA-N 0 2 414.384 3.843 20 0 HHADLN COc1ccc(-n2c(SCc3n[nH]c(=O)[nH]3)nnc2-c2ccc(Cl)cc2)cc1 ZINC000513247262 1004879103 /nfs/dbraw/zinc/87/91/03/1004879103.db2.gz LZYACMFFWKMNSD-UHFFFAOYSA-N 0 2 414.878 3.712 20 0 HHADLN COc1cc(NS(=O)(=O)c2cccc(C)c2F)cc(OC)c1Br ZINC000513436815 1004965893 /nfs/dbraw/zinc/96/58/93/1004965893.db2.gz JTZUAEUJMOFDEG-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN COc1ccccc1O[C@H]1CCCN(C(=O)N=c2nc(-c3ccccc3)[nH]s2)C1 ZINC000513472797 1004981794 /nfs/dbraw/zinc/98/17/94/1004981794.db2.gz MHJZALFZLHKKFV-INIZCTEOSA-N 0 2 410.499 3.711 20 0 HHADLN NC(=O)CCOc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000511122435 1005030513 /nfs/dbraw/zinc/03/05/13/1005030513.db2.gz QQFONXGFDYHTFP-UHFFFAOYSA-N 0 2 423.705 3.702 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc(COCc2ccco2)c1 ZINC000511151093 1005046974 /nfs/dbraw/zinc/04/69/74/1005046974.db2.gz SIQRIGSZFRJAPR-UHFFFAOYSA-N 0 2 419.455 3.794 20 0 HHADLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000502398081 1005056507 /nfs/dbraw/zinc/05/65/07/1005056507.db2.gz IZUSAVMLLMTCJR-UHFFFAOYSA-N 0 2 424.404 3.848 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ccc(C(F)(F)F)cc1N1CCCC1 ZINC000502531608 1005105711 /nfs/dbraw/zinc/10/57/11/1005105711.db2.gz QIHQGJCVYHZMSF-UHFFFAOYSA-N 0 2 419.432 3.893 20 0 HHADLN COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)ccc1C ZINC000511643918 1005257542 /nfs/dbraw/zinc/25/75/42/1005257542.db2.gz BJKSULFKPLZKAH-UHFFFAOYSA-N 0 2 403.485 3.513 20 0 HHADLN CC(C)C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1 ZINC000503247435 1005376452 /nfs/dbraw/zinc/37/64/52/1005376452.db2.gz QCIXDGDXPVRMAA-LJQANCHMSA-N 0 2 424.526 3.836 20 0 HHADLN O=S(=O)(Nc1ccnn1-c1cccc(Cl)c1)c1cnn(Cc2ccccc2)c1 ZINC000503901792 1005507770 /nfs/dbraw/zinc/50/77/70/1005507770.db2.gz OUERYHILFDVXRG-UHFFFAOYSA-N 0 2 413.890 3.571 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2ccnn2-c2cccc(Cl)c2)cc1OC ZINC000503912253 1005510506 /nfs/dbraw/zinc/51/05/06/1005510506.db2.gz TZVDIZVQJMQLTI-UHFFFAOYSA-N 0 2 407.879 3.652 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2CC(C)C)c1 ZINC000503961640 1005520298 /nfs/dbraw/zinc/52/02/98/1005520298.db2.gz IMNCWURROQYGOV-UHFFFAOYSA-N 0 2 413.499 3.794 20 0 HHADLN Cc1ccccc1-n1nccc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000503980041 1005524927 /nfs/dbraw/zinc/52/49/27/1005524927.db2.gz WILPCQKTBZFTCE-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN C[C@@H](NC(=O)CSc1nc(=O)cc(O)n1C1CCCC1)c1ccc(Cl)cc1 ZINC000514529885 1006022847 /nfs/dbraw/zinc/02/28/47/1006022847.db2.gz DBGYPWNTHBPRHP-GFCCVEGCSA-N 0 2 407.923 3.687 20 0 HHADLN COc1cccc(C[C@@H]2CCCN2C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)c1 ZINC000531198260 1006041852 /nfs/dbraw/zinc/04/18/52/1006041852.db2.gz KPYIPKSDUYQJDP-SFHVURJKSA-N 0 2 409.461 3.881 20 0 HHADLN Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)sc1C ZINC000514602254 1006050511 /nfs/dbraw/zinc/05/05/11/1006050511.db2.gz SAYUXJDANCRWBP-UHFFFAOYSA-N 0 2 416.528 3.825 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cc1C ZINC000531212489 1006050866 /nfs/dbraw/zinc/05/08/66/1006050866.db2.gz XLAVPEVJYQNNTB-UHFFFAOYSA-N 0 2 407.492 3.776 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@@H](C[S@](C)=O)c3ccccc3)=N2)c1 ZINC000531225256 1006057468 /nfs/dbraw/zinc/05/74/68/1006057468.db2.gz RQHBBLAGPOTDHQ-SLQAJWMNSA-N 0 2 411.527 3.551 20 0 HHADLN COc1cccc(NC2CCN(C(=O)N=c3nc(-c4ccccc4)[nH]s3)CC2)c1 ZINC000531333118 1006128420 /nfs/dbraw/zinc/12/84/20/1006128420.db2.gz GCQMQPHALJXXGK-UHFFFAOYSA-N 0 2 409.515 3.744 20 0 HHADLN CC(C)[C@@H](NC(=O)N=c1nc(-c2ccccc2)[nH]s1)c1nc(-c2cccnc2)no1 ZINC000531341612 1006134445 /nfs/dbraw/zinc/13/44/45/1006134445.db2.gz JSGBRDOWGIAAML-OAHLLOKOSA-N 0 2 421.486 3.591 20 0 HHADLN Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000534440464 1006417746 /nfs/dbraw/zinc/41/77/46/1006417746.db2.gz JTLYHBJNKDMPNT-UHFFFAOYSA-N 0 2 411.487 3.769 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(Cl)c(Br)c1 ZINC000531781390 1006421716 /nfs/dbraw/zinc/42/17/16/1006421716.db2.gz IZHOHAIUGHRHTB-UHFFFAOYSA-N 0 2 422.684 3.900 20 0 HHADLN CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3c(-c4ccco4)nc4ccccn43)cc21 ZINC000531857783 1006479883 /nfs/dbraw/zinc/47/98/83/1006479883.db2.gz UBRUEDIZIILOBP-UHFFFAOYSA-N 0 2 422.466 3.625 20 0 HHADLN CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(C)C)c1 ZINC000515474540 1006488069 /nfs/dbraw/zinc/48/80/69/1006488069.db2.gz UGGIZSSWKAIXKW-UHFFFAOYSA-N 0 2 406.552 3.555 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1CC ZINC000534494444 1006492109 /nfs/dbraw/zinc/49/21/09/1006492109.db2.gz FWYMXWRBSADYMF-UHFFFAOYSA-N 0 2 424.569 3.625 20 0 HHADLN Cc1c([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cnn1-c1ccc(F)cc1 ZINC000531965623 1006550283 /nfs/dbraw/zinc/55/02/83/1006550283.db2.gz HUERDSPIWXEZQI-CLOONOSVSA-N 0 2 421.564 3.959 20 0 HHADLN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)cc1 ZINC000515697661 1006596133 /nfs/dbraw/zinc/59/61/33/1006596133.db2.gz MYBXLKATAXKBAZ-UHFFFAOYSA-N 0 2 412.515 3.717 20 0 HHADLN C[C@H]1C[C@H]1c1ccc(CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 ZINC000532156506 1006680449 /nfs/dbraw/zinc/68/04/49/1006680449.db2.gz BMAIGANNKUJZBA-BLLLJJGKSA-N 0 2 417.512 3.590 20 0 HHADLN COC(=O)C1(c2ccc(S(=O)(=O)Nc3cnccc3Oc3ccccc3)cc2)CC1 ZINC000538447705 1006714907 /nfs/dbraw/zinc/71/49/07/1006714907.db2.gz FDQCNXQUFVSUCH-UHFFFAOYSA-N 0 2 424.478 3.879 20 0 HHADLN Cc1cnc2c(cccc2S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c1 ZINC000534742323 1006732933 /nfs/dbraw/zinc/73/29/33/1006732933.db2.gz BLLSFFXMXQBCCU-GOSISDBHSA-N 0 2 419.510 3.854 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000532266303 1006757434 /nfs/dbraw/zinc/75/74/34/1006757434.db2.gz GHPZLNHPVKPORZ-GFCCVEGCSA-N 0 2 416.621 3.584 20 0 HHADLN Cc1cc(NS(=O)(=O)C[C@@H]2CCCCO2)nn1-c1ccc(Cl)cc1Cl ZINC000538498515 1006766790 /nfs/dbraw/zinc/76/67/90/1006766790.db2.gz HNSKDVTUSJZZDC-ZDUSSCGKSA-N 0 2 404.319 3.798 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000534795052 1006798356 /nfs/dbraw/zinc/79/83/56/1006798356.db2.gz YQKGPGBOHVMICF-UHFFFAOYSA-N 0 2 421.853 3.718 20 0 HHADLN COc1ccccc1[C@@H](NC(=O)N=c1nc(-c2ccccc2)[nH]s1)c1ccccn1 ZINC000534821390 1006831218 /nfs/dbraw/zinc/83/12/18/1006831218.db2.gz YLHKBHIETQYHMU-LJQANCHMSA-N 0 2 417.494 3.942 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCCCc2cccs2)c(F)c1Cl ZINC000538760687 1007044859 /nfs/dbraw/zinc/04/48/59/1007044859.db2.gz FHBQMTIUAJZVBP-UHFFFAOYSA-N 0 2 408.879 3.549 20 0 HHADLN Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000538824719 1007098397 /nfs/dbraw/zinc/09/83/97/1007098397.db2.gz GCVUCEODNSVVBC-UHFFFAOYSA-N 0 2 421.379 3.512 20 0 HHADLN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000538832527 1007105446 /nfs/dbraw/zinc/10/54/46/1007105446.db2.gz SXNIVQNAZFJDMP-UHFFFAOYSA-N 0 2 422.272 3.800 20 0 HHADLN CCCc1csc(NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)n1 ZINC000538852202 1007125915 /nfs/dbraw/zinc/12/59/15/1007125915.db2.gz YHNYQHSMKXIRHI-UHFFFAOYSA-N 0 2 415.606 3.663 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)[C@H]1C[C@H]1c1cccc(Br)c1 ZINC000535174617 1007219085 /nfs/dbraw/zinc/21/90/85/1007219085.db2.gz OLTDFXMYPHCSTK-KBPBESRZSA-N 0 2 401.289 3.527 20 0 HHADLN O=S(=O)(N[C@H](CCc1ccccc1)C(F)(F)F)c1cccnc1C(F)(F)F ZINC000516673629 1007221320 /nfs/dbraw/zinc/22/13/20/1007221320.db2.gz XUXFPJAWBFDWTK-CYBMUJFWSA-N 0 2 412.355 3.942 20 0 HHADLN O=S(=O)(N[C@@H](CCc1ccccc1)C(F)(F)F)c1cccnc1C(F)(F)F ZINC000516673630 1007222222 /nfs/dbraw/zinc/22/22/22/1007222222.db2.gz XUXFPJAWBFDWTK-ZDUSSCGKSA-N 0 2 412.355 3.942 20 0 HHADLN CC(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cn1 ZINC000532933136 1007306717 /nfs/dbraw/zinc/30/67/17/1007306717.db2.gz KZWGYWOXNBPHDH-UHFFFAOYSA-N 0 2 402.501 3.715 20 0 HHADLN C[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)[C@@H]2CCCC[C@@H]12 ZINC000532994118 1007364419 /nfs/dbraw/zinc/36/44/19/1007364419.db2.gz DHPJYSMKGKQLGA-FHLIZLRMSA-N 0 2 419.572 3.985 20 0 HHADLN CC(C)Oc1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3F)s2)cc1 ZINC000539105923 1007393103 /nfs/dbraw/zinc/39/31/03/1007393103.db2.gz XOVZAJRJQHAELC-UHFFFAOYSA-N 0 2 407.492 3.856 20 0 HHADLN O=S(=O)(Nc1ncn(Cc2ccccc2)n1)c1ccc(C(F)(F)F)cc1Cl ZINC000533090264 1007449533 /nfs/dbraw/zinc/44/95/33/1007449533.db2.gz SUOKMCKQTJRDGS-UHFFFAOYSA-N 0 2 416.812 3.799 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)cc1F ZINC000517158400 1007469523 /nfs/dbraw/zinc/46/95/23/1007469523.db2.gz IGXNJZSSCIQCBU-UHFFFAOYSA-N 0 2 404.822 3.776 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)=N1 ZINC000539445586 1007756815 /nfs/dbraw/zinc/75/68/15/1007756815.db2.gz BRMFIJXVICFFRS-OXQOHEQNSA-N 0 2 417.387 3.564 20 0 HHADLN C[C@@H](CC(=O)N=c1nc(-c2cccnc2)[nH]s1)c1ccc(Br)cc1 ZINC000535935680 1007964538 /nfs/dbraw/zinc/96/45/38/1007964538.db2.gz ISNVKHIEERSGKQ-NSHDSACASA-N 0 2 403.305 3.917 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@H](C)c3ccc([S@@](C)=O)cc3)=N2)c1 ZINC000536010974 1008052927 /nfs/dbraw/zinc/05/29/27/1008052927.db2.gz DYLOVBHXWFFVQO-MHTXLSKPSA-N 0 2 411.527 3.930 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccn(-c4ccc(Cl)cc4)n3)s[nH]2)c1 ZINC000536069316 1008097234 /nfs/dbraw/zinc/09/72/34/1008097234.db2.gz AJLXDRMZVLJKRS-UHFFFAOYSA-N 0 2 411.874 3.727 20 0 HHADLN Cc1c(S(=O)(=O)Nc2noc(-c3cccs3)n2)cnn1-c1ccc(Cl)cc1 ZINC000539813671 1008109893 /nfs/dbraw/zinc/10/98/93/1008109893.db2.gz DJOJZUYYIKBNLS-UHFFFAOYSA-N 0 2 421.891 3.746 20 0 HHADLN CC(C)n1cc(S(=O)(=O)Nc2ccc3[nH]c(C(F)(F)C(F)(F)F)nc3c2)cn1 ZINC000539854771 1008142344 /nfs/dbraw/zinc/14/23/44/1008142344.db2.gz QMKCGTLHGVIMNF-UHFFFAOYSA-N 0 2 423.367 3.795 20 0 HHADLN Cc1nn(-c2ccccc2)c2nc(C(=O)N=c3nc(-c4ccccc4)[nH]s3)ccc12 ZINC000518145985 1008180822 /nfs/dbraw/zinc/18/08/22/1008180822.db2.gz NPZDQTUYOZLALO-UHFFFAOYSA-N 0 2 412.478 3.922 20 0 HHADLN Cc1nc(COc2ccc(NC(=O)c3cccc(Br)c3O)cc2)no1 ZINC000518158717 1008187882 /nfs/dbraw/zinc/18/78/82/1008187882.db2.gz LHHMEBQMGSEFDQ-UHFFFAOYSA-N 0 2 404.220 3.677 20 0 HHADLN CCc1nc(NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)sc1C ZINC000539951077 1008202170 /nfs/dbraw/zinc/20/21/70/1008202170.db2.gz NRSZMZQYJGQTRM-UHFFFAOYSA-N 0 2 415.606 3.581 20 0 HHADLN Cc1ccc(-c2nc(S(=O)(=O)[C@@H](C)C(=O)Nc3ccccc3C(C)C)n[nH]2)cc1 ZINC000518304532 1008251105 /nfs/dbraw/zinc/25/11/05/1008251105.db2.gz UIXNPKHRKNTDLK-HNNXBMFYSA-N 0 2 412.515 3.704 20 0 HHADLN COc1ccc(C(C)=O)cc1CC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000518371053 1008279461 /nfs/dbraw/zinc/27/94/61/1008279461.db2.gz TZCINRNJFGJVMS-UHFFFAOYSA-N 0 2 401.875 3.673 20 0 HHADLN COC(=O)c1cc(C)ccc1NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000518646639 1008377974 /nfs/dbraw/zinc/37/79/74/1008377974.db2.gz YEVFQBLARQRBEU-UHFFFAOYSA-N 0 2 404.271 3.898 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1C ZINC000518739997 1008409069 /nfs/dbraw/zinc/40/90/69/1008409069.db2.gz CKLDEEJOZWOKOI-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000542978324 1008554055 /nfs/dbraw/zinc/55/40/55/1008554055.db2.gz BXWFDLURCOQUCI-UHFFFAOYSA-N 0 2 404.417 3.688 20 0 HHADLN CC(C)C(=O)c1ccc([C@@H](C)C(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000549041519 1008609307 /nfs/dbraw/zinc/60/93/07/1008609307.db2.gz MNFPYLWWLGRPQN-MRXNPFEDSA-N 0 2 406.486 3.642 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1ccc2cc[nH]c2n1 ZINC000543033650 1008616868 /nfs/dbraw/zinc/61/68/68/1008616868.db2.gz JZUWRCHVZNUHFI-UHFFFAOYSA-N 0 2 401.199 3.502 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1-c1nnnn1C1CC1 ZINC000543166844 1008743202 /nfs/dbraw/zinc/74/32/02/1008743202.db2.gz VUXJOBJSUZCDMK-UHFFFAOYSA-N 0 2 407.858 3.577 20 0 HHADLN CC(C)C(=O)Nc1nc(C=C(O)Nc2nc(-c3cccc(Cl)c3)ns2)cs1 ZINC000519390428 1008782558 /nfs/dbraw/zinc/78/25/58/1008782558.db2.gz ULJJIZPKHUSFMP-UHFFFAOYSA-N 0 2 421.935 3.513 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)c1cc(Cl)ccc1O ZINC000519576522 1008919801 /nfs/dbraw/zinc/91/98/01/1008919801.db2.gz WDBBBMJMOBHUDS-QGZVFWFLSA-N 0 2 413.905 3.899 20 0 HHADLN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1cc(Cl)ccc1O ZINC000519576522 1008919818 /nfs/dbraw/zinc/91/98/18/1008919818.db2.gz WDBBBMJMOBHUDS-QGZVFWFLSA-N 0 2 413.905 3.899 20 0 HHADLN CCCC[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)OC)c2C1 ZINC000545892210 1008981847 /nfs/dbraw/zinc/98/18/47/1008981847.db2.gz XZSKTCVALWKFMP-UHFFFAOYSA-N 0 2 406.504 3.600 20 0 HHADLN CCCC[N@H+]1Cc2cccc([N-]S(=O)(=O)c3c(C)oc(C)c3C(=O)OC)c2C1 ZINC000545892210 1008981866 /nfs/dbraw/zinc/98/18/66/1008981866.db2.gz XZSKTCVALWKFMP-UHFFFAOYSA-N 0 2 406.504 3.600 20 0 HHADLN Cn1c(=O)[nH]c2cc(C(=O)Nc3nc(-c4cc(Cl)ccc4Cl)n[nH]3)ccc21 ZINC000545910709 1008991769 /nfs/dbraw/zinc/99/17/69/1008991769.db2.gz FEZWKEMIPAKELV-UHFFFAOYSA-N 0 2 403.229 3.623 20 0 HHADLN O=S(=O)(Cc1ncc(-c2cccc(Cl)c2)o1)c1n[nH]c(-c2ccccc2)n1 ZINC000519742458 1008991823 /nfs/dbraw/zinc/99/18/23/1008991823.db2.gz ABCDNCJMOGXPOM-UHFFFAOYSA-N 0 2 400.847 3.754 20 0 HHADLN CCCNc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cncc(C(=O)OC)c1 ZINC000519861160 1009038761 /nfs/dbraw/zinc/03/87/61/1009038761.db2.gz UEZRUVHHXGDIOZ-UHFFFAOYSA-N 0 2 417.409 3.510 20 0 HHADLN CCOc1ccc(Oc2cc(CNS(=O)(=O)[C@@H](C)C(F)(F)F)ccn2)cc1 ZINC000546091648 1009116729 /nfs/dbraw/zinc/11/67/29/1009116729.db2.gz DGYIXSXTULMJMI-LBPRGKRZSA-N 0 2 404.410 3.643 20 0 HHADLN C[C@@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)c1cccc(NC(=O)c2ccccc2)c1 ZINC000546092971 1009118229 /nfs/dbraw/zinc/11/82/29/1009118229.db2.gz VQXOVXJWIAHKBS-OLZOCXBDSA-N 0 2 400.422 3.870 20 0 HHADLN COCCOc1c(Cl)cccc1NS(=O)(=O)c1ccccc1Br ZINC000520017735 1009172512 /nfs/dbraw/zinc/17/25/12/1009172512.db2.gz IPBNZVYVKNBRJO-UHFFFAOYSA-N 0 2 420.712 3.929 20 0 HHADLN COCCNc1ccccc1CNC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000543655529 1009260968 /nfs/dbraw/zinc/26/09/68/1009260968.db2.gz GGOINSGACCSNPP-UHFFFAOYSA-N 0 2 417.922 3.660 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCCCn1cnc2ccccc21 ZINC000543656614 1009263527 /nfs/dbraw/zinc/26/35/27/1009263527.db2.gz LERQDRATTQYCRL-UHFFFAOYSA-N 0 2 412.906 3.842 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000543658555 1009266178 /nfs/dbraw/zinc/26/61/78/1009266178.db2.gz VJGGDNHRJKSSSJ-RBSFLKMASA-N 0 2 404.923 3.750 20 0 HHADLN COC(=O)c1ccc(CN(C)C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc1 ZINC000543659527 1009267654 /nfs/dbraw/zinc/26/76/54/1009267654.db2.gz ZMQGCTNQZOTPJG-UHFFFAOYSA-N 0 2 416.890 3.731 20 0 HHADLN Cc1ccc(C)n1-c1nc(CC(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)cs1 ZINC000549728781 1009352759 /nfs/dbraw/zinc/35/27/59/1009352759.db2.gz AXBNDQGOUHHQGK-UHFFFAOYSA-N 0 2 408.487 3.531 20 0 HHADLN COc1ccc(Cl)cc1NCCC(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000549729020 1009353108 /nfs/dbraw/zinc/35/31/08/1009353108.db2.gz SKSVTSYRFSTYHE-UHFFFAOYSA-N 0 2 401.854 3.588 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cc(C3CCCC3)nn2C)ccc1Br ZINC000543792564 1009359911 /nfs/dbraw/zinc/35/99/11/1009359911.db2.gz XKBAROFPHAHNEA-UHFFFAOYSA-N 0 2 414.325 3.650 20 0 HHADLN COC(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000520280487 1009396742 /nfs/dbraw/zinc/39/67/42/1009396742.db2.gz BEFFMBHYUDRXPH-UHFFFAOYSA-N 0 2 412.870 3.667 20 0 HHADLN O=S(=O)(Nc1ncn(-c2ccccc2)n1)c1ccc(Cl)cc1C(F)(F)F ZINC000543858048 1009423360 /nfs/dbraw/zinc/42/33/60/1009423360.db2.gz MPLIORZNXIHVMF-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN CCc1nc2cc(S(=O)(=O)Nc3c(-c4ccncc4)nc4ccccn43)ccc2o1 ZINC000543857355 1009423755 /nfs/dbraw/zinc/42/37/55/1009423755.db2.gz BHMTXHNMWKCQGA-UHFFFAOYSA-N 0 2 419.466 3.901 20 0 HHADLN CCc1nc2cc(S(=O)(=O)Nc3nnc(Cc4ccc(F)cc4)s3)ccc2o1 ZINC000543860415 1009427349 /nfs/dbraw/zinc/42/73/49/1009427349.db2.gz ZYOQHPRCQJVKKU-UHFFFAOYSA-N 0 2 418.475 3.772 20 0 HHADLN CCOCCOc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000543864966 1009432113 /nfs/dbraw/zinc/43/21/13/1009432113.db2.gz KGZRKGIPPLPDMV-UHFFFAOYSA-N 0 2 424.828 3.970 20 0 HHADLN CC1(C)Cc2nc(NS(=O)(=O)c3ccc(C(F)(F)F)nc3)sc2C(=O)C1 ZINC000543869269 1009436703 /nfs/dbraw/zinc/43/67/03/1009436703.db2.gz GPTJJSYLWBNVMJ-UHFFFAOYSA-N 0 2 405.423 3.513 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2c(-c3ccncc3)nc3ccccn32)c(C)c1F ZINC000543960634 1009564392 /nfs/dbraw/zinc/56/43/92/1009564392.db2.gz MHWAGJBDSXVFPN-UHFFFAOYSA-N 0 2 412.446 3.653 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1nnc(-c2ccc[nH]2)n1Cc1cccs1 ZINC000549968121 1009574290 /nfs/dbraw/zinc/57/42/90/1009574290.db2.gz KAJQCYYVTUWKRM-UHFFFAOYSA-N 0 2 423.527 3.730 20 0 HHADLN O=S(=O)(Nc1csc(-c2ccncc2)n1)c1ccc(OC(F)(F)F)cc1 ZINC000546599159 1009621050 /nfs/dbraw/zinc/62/10/50/1009621050.db2.gz CYMPEBRRYOKXNR-UHFFFAOYSA-N 0 2 401.391 3.905 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000544098956 1009709723 /nfs/dbraw/zinc/70/97/23/1009709723.db2.gz NZBCIMWIFSZKAI-UHFFFAOYSA-N 0 2 423.589 3.959 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000550121050 1009712587 /nfs/dbraw/zinc/71/25/87/1009712587.db2.gz USYMFICGECLVDY-UHFFFAOYSA-N 0 2 413.437 3.990 20 0 HHADLN CSCC[C@@H](NC(=O)c1ccco1)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000546857296 1009817889 /nfs/dbraw/zinc/81/78/89/1009817889.db2.gz JXVOARKZPXZRSD-LLVKDONJSA-N 0 2 403.287 3.782 20 0 HHADLN Cc1nc(-c2ccncc2)[nH]c(=O)c1CCC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000546859096 1009821131 /nfs/dbraw/zinc/82/11/31/1009821131.db2.gz GIXUUTDEFMVVSX-UHFFFAOYSA-N 0 2 419.268 3.724 20 0 HHADLN Cc1nc(C2CC2)oc1C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000546861694 1009824282 /nfs/dbraw/zinc/82/42/82/1009824282.db2.gz HIXFRCNODGEKNN-UHFFFAOYSA-N 0 2 406.215 3.799 20 0 HHADLN Cc1ccc(NC(=O)c2cc(=O)c3ccccc3[nH]2)cc1NC(=O)CN1CCCCC1 ZINC000520868703 1009921727 /nfs/dbraw/zinc/92/17/27/1009921727.db2.gz RLGXQRALAAEVIC-UHFFFAOYSA-N 0 2 418.497 3.513 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)cc1C ZINC000550419735 1009921979 /nfs/dbraw/zinc/92/19/79/1009921979.db2.gz KCHXPEPWWRLZJU-CYBMUJFWSA-N 0 2 409.577 3.801 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2cc(-c3cccc(OC)c3)nn2-c2ccccc2)cn1 ZINC000550438072 1009938746 /nfs/dbraw/zinc/93/87/46/1009938746.db2.gz QCJRTYLFKHJVEZ-UHFFFAOYSA-N 0 2 423.498 3.565 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)C(=O)N[C@@H](CCC(C)C)C(C)(C)C)s[nH]2)c1 ZINC000544502975 1010124669 /nfs/dbraw/zinc/12/46/69/1010124669.db2.gz AFPNAADKKBLCRW-INIZCTEOSA-N 0 2 418.563 3.541 20 0 HHADLN CCCOc1nc(C(=O)N2CCCC[C@H]2c2nnc(COC)[nH]2)cc2ccccc21 ZINC000521130930 1010154906 /nfs/dbraw/zinc/15/49/06/1010154906.db2.gz WYDKVVBGNYAONJ-SFHVURJKSA-N 0 2 409.490 3.656 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)=N1 ZINC000544584227 1010210339 /nfs/dbraw/zinc/21/03/39/1010210339.db2.gz RZJZIDZDLWMGPJ-YLJYHZDGSA-N 0 2 413.424 3.815 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCOC3)s[nH]2)c1 ZINC000544594498 1010220757 /nfs/dbraw/zinc/22/07/57/1010220757.db2.gz NNQVMLWPRIFMFK-AEFFLSMTSA-N 0 2 410.499 3.535 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(CCc3nccs3)C(C)C)s[nH]2)c1 ZINC000544598342 1010224519 /nfs/dbraw/zinc/22/45/19/1010224519.db2.gz QKPVFJBDIUNMTG-UHFFFAOYSA-N 0 2 403.533 3.577 20 0 HHADLN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000544635616 1010258870 /nfs/dbraw/zinc/25/88/70/1010258870.db2.gz NRKMCVPJDWUIRC-JKSUJKDBSA-N 0 2 421.954 3.534 20 0 HHADLN O=S(=O)(Nc1c(-c2ccncc2)nc2ccccn21)c1cc(Cl)ccc1F ZINC000551018714 1010320249 /nfs/dbraw/zinc/32/02/49/1010320249.db2.gz NQDQSIVLFULPAS-UHFFFAOYSA-N 0 2 402.838 3.990 20 0 HHADLN O=S(=O)([N-]c1c(-c2ccncc2)[nH+]c2ccccn21)c1cc(Cl)ccc1F ZINC000551018714 1010320260 /nfs/dbraw/zinc/32/02/60/1010320260.db2.gz NQDQSIVLFULPAS-UHFFFAOYSA-N 0 2 402.838 3.990 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3cccc4c(C)ccnc43)s2)cc1 ZINC000547629297 1010371317 /nfs/dbraw/zinc/37/13/17/1010371317.db2.gz JVJYWUGSFICJLR-UHFFFAOYSA-N 0 2 412.496 3.871 20 0 HHADLN COc1c(F)cc(S(=O)(=O)Nc2cnc(-c3ccccc3)s2)cc1[N+](=O)[O-] ZINC000547631493 1010372197 /nfs/dbraw/zinc/37/21/97/1010372197.db2.gz TUNQLVQPYZHPHH-UHFFFAOYSA-N 0 2 409.420 3.667 20 0 HHADLN CC(C)S(=O)(=O)c1c(Cl)cccc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000551169623 1010414203 /nfs/dbraw/zinc/41/42/03/1010414203.db2.gz AOAJLPZHWIUVAJ-UHFFFAOYSA-N 0 2 409.863 3.601 20 0 HHADLN CC(C)c1c(C(=O)NCc2nnc(COc3ccccc3)[nH]2)cnn1-c1ccccc1 ZINC000547785245 1010425876 /nfs/dbraw/zinc/42/58/76/1010425876.db2.gz PSOVMKIKDSWMJC-UHFFFAOYSA-N 0 2 416.485 3.623 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2cccc3c(OC)ccnc23)c1 ZINC000544845169 1010430982 /nfs/dbraw/zinc/43/09/82/1010430982.db2.gz PFVVPPQTQQIZAB-UHFFFAOYSA-N 0 2 423.288 3.815 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cnn1-c1cc(C)ccn1 ZINC000544845308 1010431805 /nfs/dbraw/zinc/43/18/05/1010431805.db2.gz ZISQFGVXMIWNGI-UHFFFAOYSA-N 0 2 422.514 3.515 20 0 HHADLN O=S(=O)(Nc1ccc(-c2cn3ccccc3n2)cc1)c1cnn(CC(F)(F)F)c1 ZINC000547818631 1010437688 /nfs/dbraw/zinc/43/76/88/1010437688.db2.gz QMTQUYFFMWMMPC-UHFFFAOYSA-N 0 2 421.404 3.561 20 0 HHADLN COCc1nc(C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)co1 ZINC000547857834 1010453887 /nfs/dbraw/zinc/45/38/87/1010453887.db2.gz KUIAQXZTPQDDBR-UHFFFAOYSA-N 0 2 408.439 3.806 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nsc(-c3ccccc3)n2)cc1Cl ZINC000551387979 1010554722 /nfs/dbraw/zinc/55/47/22/1010554722.db2.gz NFFBUXKEPLSAAR-UHFFFAOYSA-N 0 2 408.892 3.618 20 0 HHADLN COC(=O)c1cc(C)ccc1NS(=O)(=O)c1cc(Br)ccc1Cl ZINC000521711569 1010567365 /nfs/dbraw/zinc/56/73/65/1010567365.db2.gz FDRCNKGCWYCDPS-UHFFFAOYSA-N 0 2 418.696 3.998 20 0 HHADLN Cc1cccc(-n2nc(C(C)(C)C)cc2NS(=O)(=O)c2cnn(CC(F)F)c2)c1 ZINC000548281707 1010578851 /nfs/dbraw/zinc/57/88/51/1010578851.db2.gz PSEQERFZKOSXQM-UHFFFAOYSA-N 0 2 423.489 3.741 20 0 HHADLN Cc1ccnc2c1cccc2S(=O)(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000548297348 1010585004 /nfs/dbraw/zinc/58/50/04/1010585004.db2.gz NTQOINHAFYNHJB-SFHVURJKSA-N 0 2 419.510 3.854 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2ccc(C)c(OCC)c2)c1 ZINC000551475117 1010610096 /nfs/dbraw/zinc/61/00/96/1010610096.db2.gz NGEJTELSAXHIRS-UHFFFAOYSA-N 0 2 411.451 3.519 20 0 HHADLN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000523020910 1011483184 /nfs/dbraw/zinc/48/31/84/1011483184.db2.gz JJAFIMRGPOAVAV-UHFFFAOYSA-N 0 2 418.523 3.701 20 0 HHADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1cccc(Cl)c1OC ZINC000536393309 1011601532 /nfs/dbraw/zinc/60/15/32/1011601532.db2.gz UPYGLSFISWFRHU-UHFFFAOYSA-N 0 2 410.879 3.507 20 0 HHADLN O=S(=O)(Nc1ncn(-c2ccccc2)n1)c1csc(-c2ccc(Cl)cc2)n1 ZINC000541074576 1011715633 /nfs/dbraw/zinc/71/56/33/1011715633.db2.gz QLAWEIGCPZBSRH-UHFFFAOYSA-N 0 2 417.903 3.845 20 0 HHADLN O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)Nc1ccccc1O[C@@H]1CCOC1 ZINC000541304694 1012008805 /nfs/dbraw/zinc/00/88/05/1012008805.db2.gz JSDZPKSNGNNSIB-MRXNPFEDSA-N 0 2 418.446 3.590 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2ccccc2-n2nccc2C)c1 ZINC000541307204 1012013362 /nfs/dbraw/zinc/01/33/62/1012013362.db2.gz WKKCIVFTUQQNDP-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000541307460 1012014940 /nfs/dbraw/zinc/01/49/40/1012014940.db2.gz UYJOKSPONHAAAF-UHFFFAOYSA-N 0 2 422.551 3.565 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cccc(C(=O)N2CCCC2)c1C ZINC000541307634 1012015374 /nfs/dbraw/zinc/01/53/74/1012015374.db2.gz OGSIIFYCBSTTAX-UHFFFAOYSA-N 0 2 418.563 3.501 20 0 HHADLN Cc1nc(CSc2ccc(C(=O)N3CCC(c4n[nH]c(=O)[nH]4)CC3)cc2)cs1 ZINC000551932141 1012028491 /nfs/dbraw/zinc/02/84/91/1012028491.db2.gz RGPYSCYTTDRYLV-UHFFFAOYSA-N 0 2 415.544 3.587 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)CCCc1nc(-c2cccs2)no1 ZINC000552029977 1012054869 /nfs/dbraw/zinc/05/48/69/1012054869.db2.gz WWSUVBMYABLFPL-UHFFFAOYSA-N 0 2 410.459 3.559 20 0 HHADLN COc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3cc(C)c(C)s3)c2)cn1 ZINC000536905375 1012167878 /nfs/dbraw/zinc/16/78/78/1012167878.db2.gz OOUZSDRIERMFCM-UHFFFAOYSA-N 0 2 417.512 3.822 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N(C)Cc2cccc(O)c2)cc1 ZINC000523681289 1012282027 /nfs/dbraw/zinc/28/20/27/1012282027.db2.gz XUFFXVRVFLSFFH-UHFFFAOYSA-N 0 2 416.524 3.835 20 0 HHADLN CC(=O)Nc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccn2)cc1Br ZINC000537030613 1012344636 /nfs/dbraw/zinc/34/46/36/1012344636.db2.gz YKHWOBMAEHUFRW-UHFFFAOYSA-N 0 2 418.700 3.565 20 0 HHADLN CC[C@H](C)c1ccccc1N1C[C@@H](C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)CC1=O ZINC000552605266 1012606930 /nfs/dbraw/zinc/60/69/30/1012606930.db2.gz VPBRVKKERXPALX-HOCLYGCPSA-N 0 2 419.485 3.682 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](c3ccccc3)c3cccnc3)s[nH]2)c1 ZINC000541756128 1012616675 /nfs/dbraw/zinc/61/66/75/1012616675.db2.gz FDCYBFBPXDLZRM-IBGZPJMESA-N 0 2 417.494 3.942 20 0 HHADLN C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C[C@H]1C ZINC000541776084 1012643895 /nfs/dbraw/zinc/64/38/95/1012643895.db2.gz DWBGKWWBTCSIAC-UMVBOHGHSA-N 0 2 408.549 3.890 20 0 HHADLN CN(Cc1ccc2c(c1)OCCO2)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000541797534 1012674004 /nfs/dbraw/zinc/67/40/04/1012674004.db2.gz LXWKWVUZUGMYPC-UHFFFAOYSA-N 0 2 416.890 3.716 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cnc3ccsc3c2)nc1C1CCCC1 ZINC000541826000 1012711865 /nfs/dbraw/zinc/71/18/65/1012711865.db2.gz JVBMKPHVOJHWCW-UHFFFAOYSA-N 0 2 423.541 3.998 20 0 HHADLN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(OCC(C)C)nc1 ZINC000523977000 1012723145 /nfs/dbraw/zinc/72/31/45/1012723145.db2.gz OWFHHXVQRZSGDD-UHFFFAOYSA-N 0 2 415.309 3.688 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000524018543 1012764687 /nfs/dbraw/zinc/76/46/87/1012764687.db2.gz GTGMXIZVGLNIQT-UHFFFAOYSA-N 0 2 410.879 3.644 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCCN4c5ccccc5C[C@@H]4C3)=N2)c1 ZINC000552776718 1012782072 /nfs/dbraw/zinc/78/20/72/1012782072.db2.gz NIEZCQRBTLBQFS-OAQYLSRUSA-N 0 2 416.525 3.979 20 0 HHADLN Cc1cc(F)ccc1S(=O)(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000524050548 1012803867 /nfs/dbraw/zinc/80/38/67/1012803867.db2.gz YLJQTCJWIHBYMU-UHFFFAOYSA-N 0 2 417.531 3.950 20 0 HHADLN COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2cc(C)oc2C)cc1 ZINC000537348914 1012814037 /nfs/dbraw/zinc/81/40/37/1012814037.db2.gz FTFZBWFIOISDDN-UHFFFAOYSA-N 0 2 400.456 3.958 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c(C)o1 ZINC000537349252 1012815644 /nfs/dbraw/zinc/81/56/44/1012815644.db2.gz ITANDSACZHUPLW-UHFFFAOYSA-N 0 2 404.410 3.553 20 0 HHADLN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000524095278 1012866787 /nfs/dbraw/zinc/86/67/87/1012866787.db2.gz GXRMXSSOSHBCAB-VIFPVBQESA-N 0 2 415.346 3.722 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)c(C)o1 ZINC000542056154 1012969870 /nfs/dbraw/zinc/96/98/70/1012969870.db2.gz INHFTDITFUCQNX-UHFFFAOYSA-N 0 2 403.403 3.631 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cnn1-c1ccccc1 ZINC000542094187 1013022528 /nfs/dbraw/zinc/02/25/28/1013022528.db2.gz XUBGPEIOXMQPDF-UHFFFAOYSA-N 0 2 424.526 3.535 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(OC)c(C)c2)nc1C1CCCC1 ZINC000568684095 1071797804 /nfs/dbraw/zinc/79/78/04/1071797804.db2.gz SQPHJMPLXMLKKF-UHFFFAOYSA-N 0 2 410.517 3.705 20 0 HHADLN O=C(NCc1ccc(C(=O)N2CCC[C@H](c3cc4ccccc4[nH]3)C2)o1)C(F)(F)F ZINC001626001400 1072052322 /nfs/dbraw/zinc/05/23/22/1072052322.db2.gz WMNHLCHSRFBIFS-AWEZNQCLSA-N 0 2 419.403 3.959 20 0 HHADLN Cn1c(=O)oc2c1cccc2NS(=O)(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488234011 1072143730 /nfs/dbraw/zinc/14/37/30/1072143730.db2.gz SBCZMFBABADXPL-UHFFFAOYSA-N 0 2 406.769 3.605 20 0 HHADLN O=C(C[C@H]1SC(n2nccc2C(F)(F)F)=NC1=O)Nc1ccc2ccccc2c1 ZINC000913099337 1072328635 /nfs/dbraw/zinc/32/86/35/1072328635.db2.gz NWZMSYUXCBCFEU-CQSZACIVSA-N 0 2 418.400 3.930 20 0 HHADLN O=S(=O)(Cc1nc(C(F)(F)F)cs1)c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000571150709 1072576110 /nfs/dbraw/zinc/57/61/10/1072576110.db2.gz VQAGASKOUKYBFF-UHFFFAOYSA-N 0 2 408.814 3.574 20 0 HHADLN O=S(=O)(Nc1ccc(OC(F)F)nc1)c1ccc(Br)cc1Cl ZINC000571453484 1072623623 /nfs/dbraw/zinc/62/36/23/1072623623.db2.gz VIJHLTZGHKKSOV-UHFFFAOYSA-N 0 2 413.627 3.900 20 0 HHADLN CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3c(Cl)cccc3n2)cc1 ZINC000571679730 1072693984 /nfs/dbraw/zinc/69/39/84/1072693984.db2.gz WRDARDHWMNBSDO-UHFFFAOYSA-N 0 2 424.931 3.873 20 0 HHADLN Cc1noc2ncc(NS(=O)(=O)c3cnc4onc(-c5ccccc5)c4c3)cc12 ZINC000571698434 1072700397 /nfs/dbraw/zinc/70/03/97/1072700397.db2.gz RVPFMNVRJZIDPE-UHFFFAOYSA-N 0 2 407.411 3.535 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(SCc3cccs3)s2)c(F)c1 ZINC000479114435 1072730182 /nfs/dbraw/zinc/73/01/82/1072730182.db2.gz KPOPAGJVNZWCFW-UHFFFAOYSA-N 0 2 417.534 3.840 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3ccc(CC(F)(F)F)cc3)o2)c(C)o1 ZINC000479125852 1072735695 /nfs/dbraw/zinc/73/56/95/1072735695.db2.gz FCXHBAGCDCUCHB-UHFFFAOYSA-N 0 2 401.366 3.852 20 0 HHADLN Cc1noc(C)c1S(=O)(=O)Nc1nc2cc(F)c(Br)cc2s1 ZINC000479125779 1072735900 /nfs/dbraw/zinc/73/59/00/1072735900.db2.gz HXJMPCWLHUMGQW-UHFFFAOYSA-N 0 2 406.258 3.604 20 0 HHADLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)c1 ZINC000479134279 1072743890 /nfs/dbraw/zinc/74/38/90/1072743890.db2.gz GEICNOATJXCMOP-UHFFFAOYSA-N 0 2 412.876 3.546 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1cc2c[nH]nc2cc1C ZINC000479135504 1072745115 /nfs/dbraw/zinc/74/51/15/1072745115.db2.gz VAZQJTHWASGWKZ-UHFFFAOYSA-N 0 2 414.256 3.582 20 0 HHADLN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)cc1 ZINC000479136207 1072747292 /nfs/dbraw/zinc/74/72/92/1072747292.db2.gz QTCCWNOGWZLUMB-UHFFFAOYSA-N 0 2 416.933 3.544 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3ccc4ncsc4c3)s2)cc1 ZINC000479139839 1072762123 /nfs/dbraw/zinc/76/21/23/1072762123.db2.gz BMHALSNMIHFZKG-UHFFFAOYSA-N 0 2 404.498 3.624 20 0 HHADLN Cc1cc(Cl)cc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)c1O ZINC000479407802 1072828465 /nfs/dbraw/zinc/82/84/65/1072828465.db2.gz MGAPHIVZLLKDLH-UHFFFAOYSA-N 0 2 412.870 3.530 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N(C)Cc3ccc4c(c3)OCCO4)=N2)c1 ZINC000555041868 1073094447 /nfs/dbraw/zinc/09/44/47/1073094447.db2.gz FFOLFFFQSBVDEB-UHFFFAOYSA-N 0 2 407.470 3.745 20 0 HHADLN CC(C)c1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)n(-c2ccccc2)n1 ZINC000555137105 1073206679 /nfs/dbraw/zinc/20/66/79/1073206679.db2.gz VJNHEJLERWRCJG-UHFFFAOYSA-N 0 2 424.526 3.923 20 0 HHADLN CN(C)c1ccc(S(=O)(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cn1 ZINC000555140004 1073208850 /nfs/dbraw/zinc/20/88/50/1073208850.db2.gz MGDRXMUHTKDPMO-UHFFFAOYSA-N 0 2 408.936 3.649 20 0 HHADLN COC(=O)c1cc(NC(=O)c2cc(F)c(O)c(F)c2)c(C)cc1Br ZINC000588863487 1073312216 /nfs/dbraw/zinc/31/22/16/1073312216.db2.gz STTAWSBKGZJATO-UHFFFAOYSA-N 0 2 400.175 3.780 20 0 HHADLN CCOC(=O)C(C)(C)c1csc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000588948945 1073355610 /nfs/dbraw/zinc/35/56/10/1073355610.db2.gz NBXSWZPWMGLMQH-UHFFFAOYSA-N 0 2 422.450 3.803 20 0 HHADLN Cc1ccc(-c2nsc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)n2)s1 ZINC000590530268 1073908478 /nfs/dbraw/zinc/90/84/78/1073908478.db2.gz BAXYKKUODARPNO-UHFFFAOYSA-N 0 2 421.447 3.696 20 0 HHADLN O=S(=O)(Nc1nnc(CCc2ccccc2)o1)c1ccc(F)cc1C(F)(F)F ZINC000556036817 1074048501 /nfs/dbraw/zinc/04/85/01/1074048501.db2.gz HWLARDHSAZKGPN-UHFFFAOYSA-N 0 2 415.368 3.814 20 0 HHADLN O=S(=O)(Nc1cc(F)c(Cl)cc1N1CCOCC1)c1cccc2cccnc21 ZINC000573039325 1074069427 /nfs/dbraw/zinc/06/94/27/1074069427.db2.gz KMUXFYQGZXWPSM-UHFFFAOYSA-N 0 2 421.881 3.665 20 0 HHADLN C[C@@](CO)(NC(=O)N=c1nc(-c2ccccc2)[nH]s1)c1cccc(C(F)(F)F)c1 ZINC000591400468 1074293743 /nfs/dbraw/zinc/29/37/43/1074293743.db2.gz MAHQTWSVGAKYBX-SFHVURJKSA-N 0 2 422.432 3.675 20 0 HHADLN COc1c(F)cc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)cc1F ZINC000591681317 1074484208 /nfs/dbraw/zinc/48/42/08/1074484208.db2.gz JHWBTEPUEMRFEQ-UHFFFAOYSA-N 0 2 408.785 3.525 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2cccnc2OCc2ccccc2)cc1OC ZINC000591682502 1074486781 /nfs/dbraw/zinc/48/67/81/1074486781.db2.gz BSVYRUZGOYDIAD-UHFFFAOYSA-N 0 2 414.483 3.787 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(Cc3ccccc3F)o2)ccc1C(F)(F)F ZINC000573498930 1074528482 /nfs/dbraw/zinc/52/84/82/1074528482.db2.gz QPLOEVIKOGPZQT-UHFFFAOYSA-N 0 2 415.368 3.928 20 0 HHADLN O=S(=O)(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc(F)c(F)cc1F ZINC000591795794 1074544902 /nfs/dbraw/zinc/54/49/02/1074544902.db2.gz JIKGVUYENZADQR-UHFFFAOYSA-N 0 2 422.432 3.890 20 0 HHADLN O=C(N[C@@H]1CC12CCCC2)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC000760910962 1074622168 /nfs/dbraw/zinc/62/21/68/1074622168.db2.gz NDCRCMYOBRQECL-HXUWFJFHSA-N 0 2 419.550 3.990 20 0 HHADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc(OCC(F)F)cc3)o2)c(C)c1 ZINC000573787272 1074653609 /nfs/dbraw/zinc/65/36/09/1074653609.db2.gz IQSNMHWJKMINSO-UHFFFAOYSA-N 0 2 409.414 3.798 20 0 HHADLN CCOC(=O)c1sc([C@@H]2CCN(C(=O)c3cc(F)cc(Cl)c3O)C2)nc1C ZINC001649010312 1075400259 /nfs/dbraw/zinc/40/02/59/1075400259.db2.gz NELQSDRLHVEJFV-SNVBAGLBSA-N 0 2 412.870 3.756 20 0 HHADLN Cc1cc(F)cc(-n2cc(C(=O)N=c3nc(-c4cccc(Cl)c4)[nH]s3)nn2)c1 ZINC000575081783 1075472975 /nfs/dbraw/zinc/47/29/75/1075472975.db2.gz PTASPTANXZOUAM-UHFFFAOYSA-N 0 2 414.853 3.561 20 0 HHADLN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1F ZINC000595898350 1075517935 /nfs/dbraw/zinc/51/79/35/1075517935.db2.gz YVZBIUDMEHPWNW-GFCCVEGCSA-N 0 2 405.476 3.825 20 0 HHADLN Cc1nc(Cl)cc(N2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)n1 ZINC000302046816 971160915 /nfs/dbraw/zinc/16/09/15/971160915.db2.gz NMDCTQUZPAHYGS-KBPBESRZSA-N 0 2 416.806 3.619 20 0 HHADLN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2N(C)C)c1 ZINC000303321790 971628246 /nfs/dbraw/zinc/62/82/46/971628246.db2.gz BBVNWPFMEFGQCU-UHFFFAOYSA-N 0 2 403.287 3.647 20 0 HHADLN CCOC(=O)Cc1csc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)n1 ZINC000524297928 1013108872 /nfs/dbraw/zinc/10/88/72/1013108872.db2.gz FCBJBCNRLROLHJ-UHFFFAOYSA-N 0 2 409.316 3.665 20 0 HHADLN CC(C)(C)S(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000303441548 971731153 /nfs/dbraw/zinc/73/11/53/971731153.db2.gz HUAKKYWKCZHFGN-UHFFFAOYSA-N 0 2 421.462 3.618 20 0 HHADLN NC(=O)CCSc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000303480945 971780611 /nfs/dbraw/zinc/78/06/11/971780611.db2.gz SXOUUBQMCXKRRD-UHFFFAOYSA-N 0 2 422.425 3.613 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2noc(-c3cccs3)n2)sc1Br ZINC000537611264 1013150892 /nfs/dbraw/zinc/15/08/92/1013150892.db2.gz OHDCMKWGBCLOMI-UHFFFAOYSA-N 0 2 406.308 3.731 20 0 HHADLN Cc1ccc(Br)cc1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000303929637 972508045 /nfs/dbraw/zinc/50/80/45/972508045.db2.gz AVXUBWANBYETCV-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN O=C(CCc1ccc(NC(=O)c2cccc(Br)c2O)cc1)N1CCCC1 ZINC000537640886 1013199314 /nfs/dbraw/zinc/19/93/14/1013199314.db2.gz GFTXBEILKIXZHV-UHFFFAOYSA-N 0 2 417.303 3.962 20 0 HHADLN O=C(/C=C/c1cccc(F)c1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000006277442 960875039 /nfs/dbraw/zinc/87/50/39/960875039.db2.gz QGUBUILCFJCTOI-RUDMXATFSA-N 0 2 403.460 3.735 20 0 HHADLN C[C@H](OC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O)C(=O)Nc1ccccc1 ZINC000009739475 961675888 /nfs/dbraw/zinc/67/58/88/961675888.db2.gz GLAVADVBBKCZBJ-LBPRGKRZSA-N 0 2 419.359 3.781 20 0 HHADLN COc1ccc2nc(NS(=O)(=O)c3ccc(Br)s3)sc2c1 ZINC000013948020 962403393 /nfs/dbraw/zinc/40/33/93/962403393.db2.gz JNKJUTNAPGPTBI-UHFFFAOYSA-N 0 2 405.320 3.930 20 0 HHADLN CCCN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(Br)cc1F ZINC000014376693 962492154 /nfs/dbraw/zinc/49/21/54/962492154.db2.gz GLMCEZWDEXFVMR-UHFFFAOYSA-N 0 2 424.295 3.939 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1ccc(C(=O)Oc2ccccc2OC)cc1 ZINC000015541548 962787070 /nfs/dbraw/zinc/78/70/70/962787070.db2.gz VOZJUDOKXHTVGK-UHFFFAOYSA-N 0 2 413.451 3.724 20 0 HHADLN O=C(NNC(=O)c1cccc(Br)c1)c1ccc(COc2ccccc2)o1 ZINC000015683701 962836617 /nfs/dbraw/zinc/83/66/17/962836617.db2.gz KPIXRVMUTFCAJI-UHFFFAOYSA-N 0 2 415.243 3.696 20 0 HHADLN COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccc(Cl)nc3)n2)c1 ZINC000016096795 962943148 /nfs/dbraw/zinc/94/31/48/962943148.db2.gz KTGACSJPNNNZEU-UHFFFAOYSA-N 0 2 411.892 3.677 20 0 HHADLN O=S(=O)(Nc1cccc(I)c1)c1ccc(F)c(F)c1F ZINC000016130820 962955315 /nfs/dbraw/zinc/95/53/15/962955315.db2.gz MKMUYXUYVIGUSZ-UHFFFAOYSA-N 0 2 413.158 3.509 20 0 HHADLN CCOc1ccccc1NS(=O)(=O)c1cc(OC)c(OC)cc1Br ZINC000017319735 963186884 /nfs/dbraw/zinc/18/68/84/963186884.db2.gz KJHSUIYPZYVXEF-UHFFFAOYSA-N 0 2 416.293 3.666 20 0 HHADLN O=c1nc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)[nH]c2ccsc21 ZINC000021449694 963470233 /nfs/dbraw/zinc/47/02/33/963470233.db2.gz UCKZHQVOEKDZSC-UHFFFAOYSA-N 0 2 422.495 3.572 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc2c3ccccc3n(C)c2s1 ZINC000022184682 963604124 /nfs/dbraw/zinc/60/41/24/963604124.db2.gz VKVPTIFYOPFQRU-UHFFFAOYSA-N 0 2 408.508 3.963 20 0 HHADLN COC(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000024350428 963982786 /nfs/dbraw/zinc/98/27/86/963982786.db2.gz YFYLFZRQLMNPEO-UHFFFAOYSA-N 0 2 409.769 3.826 20 0 HHADLN CC(C)(Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000024463784 964003810 /nfs/dbraw/zinc/00/38/10/964003810.db2.gz QZBUBVVRSDWTJO-UHFFFAOYSA-N 0 2 412.417 3.616 20 0 HHADLN N#CC(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049395631 964167315 /nfs/dbraw/zinc/16/73/15/964167315.db2.gz ZQHHUGDMKGWVCM-MBNYWOFBSA-N 0 2 404.396 3.742 20 0 HHADLN N#C[C@H](C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049395631 964167320 /nfs/dbraw/zinc/16/73/20/964167320.db2.gz ZQHHUGDMKGWVCM-MBNYWOFBSA-N 0 2 404.396 3.742 20 0 HHADLN O=C(Nn1cnc2sc3c(c2c1=O)CCCC3)c1csc(-c2cccs2)n1 ZINC000025709699 964339552 /nfs/dbraw/zinc/33/95/52/964339552.db2.gz YNQJKKJGLFMQDA-UHFFFAOYSA-N 0 2 414.537 3.906 20 0 HHADLN N#CC(C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1nc(-c2ccccc2)cs1 ZINC000051534529 964608022 /nfs/dbraw/zinc/60/80/22/964608022.db2.gz FYJTYYXJQDLQRG-ROUUACIJSA-N 0 2 408.527 3.914 20 0 HHADLN N#C[C@@H](C(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1)c1nc(-c2ccccc2)cs1 ZINC000051534529 964608030 /nfs/dbraw/zinc/60/80/30/964608030.db2.gz FYJTYYXJQDLQRG-ROUUACIJSA-N 0 2 408.527 3.914 20 0 HHADLN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)c1 ZINC000057125326 965299472 /nfs/dbraw/zinc/29/94/72/965299472.db2.gz ZKWSCWGXKYVRLY-UHFFFAOYSA-N 0 2 403.891 3.699 20 0 HHADLN CCc1sc(C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)cc1C ZINC000054032087 965360661 /nfs/dbraw/zinc/36/06/61/965360661.db2.gz QDUXYKUAACDYGL-UHFFFAOYSA-N 0 2 408.530 3.524 20 0 HHADLN C[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2sc3cc(F)ccc3c2Cl)C1=O ZINC000029580757 965419646 /nfs/dbraw/zinc/41/96/46/965419646.db2.gz IBNRYNHXWQHRFJ-IBGZPJMESA-N 0 2 417.849 3.806 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(Cl)cc1F ZINC000057702388 965526186 /nfs/dbraw/zinc/52/61/86/965526186.db2.gz PQALZAKHGMMTRU-UHFFFAOYSA-N 0 2 412.851 3.554 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c1 ZINC000057703997 965527164 /nfs/dbraw/zinc/52/71/64/965527164.db2.gz HJPZEGYFDKZJTJ-UHFFFAOYSA-N 0 2 404.513 3.667 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1[N+](=O)[O-] ZINC000057720701 965530038 /nfs/dbraw/zinc/53/00/38/965530038.db2.gz VKUIBURDKBNSGL-UHFFFAOYSA-N 0 2 400.441 3.699 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 ZINC000057720252 965530063 /nfs/dbraw/zinc/53/00/63/965530063.db2.gz ZMPOXTYNQOVKKG-UHFFFAOYSA-N 0 2 421.456 3.536 20 0 HHADLN N#C[C@H](C(=O)Cn1c2ccccc2nc1SC(F)F)c1nnc2n1CCCCC2 ZINC000054726617 965623701 /nfs/dbraw/zinc/62/37/01/965623701.db2.gz ZJUHPAGUKXTORK-GFCCVEGCSA-N 0 2 416.457 3.545 20 0 HHADLN CC[C@@H]1CCCCN1C(=O)CSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1 ZINC000054749245 965630139 /nfs/dbraw/zinc/63/01/39/965630139.db2.gz QVGICPNDVMKZAU-OAHLLOKOSA-N 0 2 412.515 3.613 20 0 HHADLN COc1ccc(-c2nc(S[C@H](C)C(=O)N3CCCCCC3)[nH]c(=O)c2C#N)cc1 ZINC000054749525 965631550 /nfs/dbraw/zinc/63/15/50/965631550.db2.gz SFILMZGKTDFQNC-CQSZACIVSA-N 0 2 412.515 3.613 20 0 HHADLN COc1ccc(-c2nc(S[C@@H](C)C(=O)N(C(C)C)C(C)C)[nH]c(=O)c2C#N)cc1 ZINC000054749527 965631939 /nfs/dbraw/zinc/63/19/39/965631939.db2.gz VVDRGSLRHGYKMX-AWEZNQCLSA-N 0 2 414.531 3.855 20 0 HHADLN CCCCC[C@@H](C)NC(=O)CSc1nc(-c2ccc(OC)cc2)c(C#N)c(=O)[nH]1 ZINC000054749481 965631971 /nfs/dbraw/zinc/63/19/71/965631971.db2.gz GQXCTWVPUGRTGQ-CQSZACIVSA-N 0 2 414.531 3.907 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N[C@H](c3ccc(OC)cc3)C3CC3)cc2[nH]c1=S ZINC000031258212 965955997 /nfs/dbraw/zinc/95/59/97/965955997.db2.gz BSWUBVPNRRZVCE-FQEVSTJZSA-N 0 2 421.522 3.761 20 0 HHADLN O=S(=O)(Nc1cnn(C[C@H]2CCCO2)c1)c1c(Cl)cc(Cl)cc1Cl ZINC000055630716 965975249 /nfs/dbraw/zinc/97/52/49/965975249.db2.gz CQNQYMBHOZWBJL-LLVKDONJSA-N 0 2 410.710 3.823 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c1 ZINC000055643929 965986590 /nfs/dbraw/zinc/98/65/90/965986590.db2.gz XCDQAJDLBAKUGB-UHFFFAOYSA-N 0 2 414.458 3.952 20 0 HHADLN O=S(=O)(Nc1cnn(Cc2ccccc2)c1)c1ccc(OC(F)F)c(Cl)c1 ZINC000055663654 966007559 /nfs/dbraw/zinc/00/75/59/966007559.db2.gz DJSCHQJEGSCBTP-UHFFFAOYSA-N 0 2 413.833 3.987 20 0 HHADLN C[C@@H]1C[C@@H](c2ccccc2)CCN1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000542701020 1013617697 /nfs/dbraw/zinc/61/76/97/1013617697.db2.gz XZPIHMKRWIXLSO-MJGOQNOKSA-N 0 2 405.502 3.861 20 0 HHADLN O=C(NNC(=S)Nc1cccc(Br)c1)c1cc(-c2ccccc2)on1 ZINC000031530807 966043154 /nfs/dbraw/zinc/04/31/54/966043154.db2.gz RUFMGNIEXFDMPS-UHFFFAOYSA-N 0 2 417.288 3.736 20 0 HHADLN O=C(NNC(=O)c1cccc2c3c([nH]c21)CCCC3)c1cc(-c2ccccc2)on1 ZINC000032467365 966263696 /nfs/dbraw/zinc/26/36/96/966263696.db2.gz RNKGTZVCMIPERM-UHFFFAOYSA-N 0 2 400.438 3.777 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCc1ccnc(N2CCCC2)c1 ZINC000542726373 1013638290 /nfs/dbraw/zinc/63/82/90/1013638290.db2.gz BZSNEPMRTAYKKT-UHFFFAOYSA-N 0 2 414.922 3.597 20 0 HHADLN N#CC(C(=O)COC(c1ccccc1)c1ccccc1)c1nnc2n1CCCCC2 ZINC000041509581 966583295 /nfs/dbraw/zinc/58/32/95/966583295.db2.gz GMUZYGPRRMBIOE-FQEVSTJZSA-N 0 2 400.482 3.987 20 0 HHADLN Cc1csc(C(C#N)C(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)n1 ZINC000041515926 966584445 /nfs/dbraw/zinc/58/44/45/966584445.db2.gz VLFFVGYORLGWCK-OCCSQVGLSA-N 0 2 418.316 3.752 20 0 HHADLN Cc1csc([C@@H](C#N)C(=O)[C@@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)n1 ZINC000041515926 966584453 /nfs/dbraw/zinc/58/44/53/966584453.db2.gz VLFFVGYORLGWCK-OCCSQVGLSA-N 0 2 418.316 3.752 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C(C)(C)C)C(F)(F)F)cc1Cl ZINC000542754807 1013661788 /nfs/dbraw/zinc/66/17/88/1013661788.db2.gz FAAMGZXKBRMDBS-GFCCVEGCSA-N 0 2 404.813 3.693 20 0 HHADLN CC[C@@H](C(=O)[C@H](C#N)c1nc2ccccc2o1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000041541161 966591233 /nfs/dbraw/zinc/59/12/33/966591233.db2.gz IHXHANMNNCDYCX-HOCLYGCPSA-N 0 2 406.833 3.962 20 0 HHADLN COc1ccccc1NC(=S)NNC(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000042080265 966709991 /nfs/dbraw/zinc/70/99/91/966709991.db2.gz KPDDAOVKMPLCJU-UHFFFAOYSA-N 0 2 415.446 3.638 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)c(OC3CCCC3)c2)c1 ZINC000063172957 966766776 /nfs/dbraw/zinc/76/67/76/966766776.db2.gz QQQVVLCRPNBODT-UHFFFAOYSA-N 0 2 423.462 3.743 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1 ZINC000063183366 966771344 /nfs/dbraw/zinc/77/13/44/966771344.db2.gz TZTYVFVHNIFRNP-UHFFFAOYSA-N 0 2 424.450 3.984 20 0 HHADLN C=CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2c(c1)[nH]c(=S)n(CC=C)c2=O ZINC000063341044 966827667 /nfs/dbraw/zinc/82/76/67/966827667.db2.gz QFMLMEWEPHURSQ-UHFFFAOYSA-N 0 2 416.506 3.571 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc3nc(C4CC4)sc3c2)c1 ZINC000063879158 966985264 /nfs/dbraw/zinc/98/52/64/966985264.db2.gz LJMFFHSXGUFNEK-UHFFFAOYSA-N 0 2 406.460 3.900 20 0 HHADLN COc1cc(O)cc(NC(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)c1 ZINC000542821748 1013693115 /nfs/dbraw/zinc/69/31/15/1013693115.db2.gz DDRUCHLTEWYOLD-UHFFFAOYSA-N 0 2 418.496 3.824 20 0 HHADLN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccccc1S(=O)(=O)C(C)C ZINC000538133861 1013696039 /nfs/dbraw/zinc/69/60/39/1013696039.db2.gz IHGDUVZLFCPSEL-UHFFFAOYSA-N 0 2 421.462 3.997 20 0 HHADLN COc1ccc(CC/N=C2\NC(=O)C(CC(=O)Nc3ccccc3Cl)S2)cc1 ZINC000044827601 967298012 /nfs/dbraw/zinc/29/80/12/967298012.db2.gz GEUCFJBLCQEQNZ-KRWDZBQOSA-N 0 2 417.918 3.508 20 0 HHADLN O=C(Nn1cnc2sc3c(c2c1=O)CCCC3)c1sccc1Br ZINC000044871807 967306303 /nfs/dbraw/zinc/30/63/03/967306303.db2.gz LTMCQQVJTZAQGA-UHFFFAOYSA-N 0 2 410.318 3.545 20 0 HHADLN O=C(NNC(=O)c1ccc(-c2ccc(F)cc2)s1)c1cc(-c2cccnc2)on1 ZINC000044984360 967322741 /nfs/dbraw/zinc/32/27/41/967322741.db2.gz TZPHWLSBKOVTRX-UHFFFAOYSA-N 0 2 408.414 3.679 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc2oc(C(C)C)nc2c1 ZINC000046303812 967731449 /nfs/dbraw/zinc/73/14/49/967731449.db2.gz ILELFOZUZATONQ-UHFFFAOYSA-N 0 2 403.460 3.719 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)Nc3cc(NC(=O)CC)ccc3C)cc2[nH]c1=S ZINC000046846067 967988382 /nfs/dbraw/zinc/98/83/82/967988382.db2.gz MQSZAWMAQWVWQC-UHFFFAOYSA-N 0 2 422.510 3.780 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccc(C(F)(F)F)nc1 ZINC000542935723 1013769398 /nfs/dbraw/zinc/76/93/98/1013769398.db2.gz UGLHYJHMRDBASI-GFCCVEGCSA-N 0 2 420.384 3.598 20 0 HHADLN CCc1nc2cc(S(=O)(=O)Nc3ccnn3Cc3sccc3C)ccc2o1 ZINC000542942511 1013775319 /nfs/dbraw/zinc/77/53/19/1013775319.db2.gz BHCSNBPASVQSGZ-UHFFFAOYSA-N 0 2 402.501 3.806 20 0 HHADLN O=S(=O)(Nc1cccc(Cl)c1-n1cccn1)c1ccccc1-c1ccno1 ZINC000542936977 1013770941 /nfs/dbraw/zinc/77/09/41/1013770941.db2.gz SHUXVPOYFMELFA-UHFFFAOYSA-N 0 2 400.847 3.982 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1[nH]c2ccccc2c1Br ZINC000047271576 968113631 /nfs/dbraw/zinc/11/36/31/968113631.db2.gz SKXOIUYFMMUAJW-UHFFFAOYSA-N 0 2 417.288 3.501 20 0 HHADLN CCOc1ccc(NC(=S)NNC(=O)c2csc(Cc3ccccc3)n2)cc1 ZINC000048136605 968447163 /nfs/dbraw/zinc/44/71/63/968447163.db2.gz OZAHLJBTUYJUEF-UHFFFAOYSA-N 0 2 412.540 3.764 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2cccc(COCCc3ccccc3)c2)c1 ZINC000538299191 1013834726 /nfs/dbraw/zinc/83/47/26/1013834726.db2.gz VROYGRILDFKTCO-UHFFFAOYSA-N 0 2 413.495 3.961 20 0 HHADLN C[C@H](C(=O)Nc1cccc(NS(=O)(=O)c2cccc(Cl)c2F)c1)n1cccn1 ZINC000071975851 968918793 /nfs/dbraw/zinc/91/87/93/968918793.db2.gz XFAWYEGECUARBZ-GFCCVEGCSA-N 0 2 422.869 3.676 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(CC)cc2)nc1C(F)(F)F ZINC000096760648 969050968 /nfs/dbraw/zinc/05/09/68/969050968.db2.gz WHRLTAUDTUKJEO-UHFFFAOYSA-N 0 2 408.423 3.702 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCCCC3)ccc2F)cc1 ZINC000098066335 969188178 /nfs/dbraw/zinc/18/81/78/969188178.db2.gz MHZLCKZDWPOZTN-UHFFFAOYSA-N 0 2 406.479 3.651 20 0 HHADLN O=S(=O)(Nc1cccc(OCc2ccccn2)c1)c1cnn(-c2ccccc2)c1 ZINC000109205107 969478625 /nfs/dbraw/zinc/47/86/25/969478625.db2.gz QLGNHENUTLQIDI-UHFFFAOYSA-N 0 2 406.467 3.647 20 0 HHADLN O=C(c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O)N1CCc2ccccc2C1 ZINC000109512134 969526929 /nfs/dbraw/zinc/52/69/29/969526929.db2.gz SWHJGONUVGPBAE-UHFFFAOYSA-N 0 2 417.490 3.899 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)NC[C@H]3CCCC[C@@H]3C)cc2[nH]c1=S ZINC000195667009 969943343 /nfs/dbraw/zinc/94/33/43/969943343.db2.gz KLGFPBGKTNZKLP-GOEBONIOSA-N 0 2 403.548 3.652 20 0 HHADLN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2nc3c(s2)CCCCC3)cc1 ZINC000195669233 969944713 /nfs/dbraw/zinc/94/47/13/969944713.db2.gz DLHLOTZVHPPIAS-UHFFFAOYSA-N 0 2 407.561 3.695 20 0 HHADLN Cc1cncc(NS(=O)(=O)c2cc(Br)ccc2Br)c1 ZINC000227121108 970114303 /nfs/dbraw/zinc/11/43/03/970114303.db2.gz KNQUZIJUGHEIBI-UHFFFAOYSA-N 0 2 406.099 3.716 20 0 HHADLN O=C(OCc1ccccc1F)c1cc(NS(=O)(=O)c2cccs2)ccc1O ZINC000146112593 970280503 /nfs/dbraw/zinc/28/05/03/970280503.db2.gz WDROJVWNVDPNFW-UHFFFAOYSA-N 0 2 407.444 3.751 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccc2Cl)c1)c1c(Cl)nc2ccccn21 ZINC000261463603 970701336 /nfs/dbraw/zinc/70/13/36/970701336.db2.gz QZYNMRIGORCFRF-UHFFFAOYSA-N 0 2 408.270 3.628 20 0 HHADLN COc1cc(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)ccn1 ZINC000314919221 972642506 /nfs/dbraw/zinc/64/25/06/972642506.db2.gz VNPDXOLRHWANDI-UHFFFAOYSA-N 0 2 412.092 3.960 20 0 HHADLN CC(C)C(=O)Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000326159196 972738953 /nfs/dbraw/zinc/73/89/53/972738953.db2.gz DUMKNKPLRUCMCW-UHFFFAOYSA-N 0 2 415.284 3.984 20 0 HHADLN O=S(=O)(Nc1cc(Br)cc(C(F)(F)F)c1)c1cnc(Cl)nc1 ZINC000388285230 972805060 /nfs/dbraw/zinc/80/50/60/972805060.db2.gz QPPAVJOEBBQHNM-UHFFFAOYSA-N 0 2 416.606 3.712 20 0 HHADLN CC(C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000392466165 972852598 /nfs/dbraw/zinc/85/25/98/972852598.db2.gz QQTJLHAATWMIOC-UHFFFAOYSA-N 0 2 415.284 3.527 20 0 HHADLN O=S(=O)(Nc1ccc(Cn2cccn2)cc1)c1ccc(Br)cc1F ZINC000392362877 972852744 /nfs/dbraw/zinc/85/27/44/972852744.db2.gz ZHXNFBOQPVJUEE-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1cccc(Br)c1)c1ccccc1F ZINC000409457500 972903498 /nfs/dbraw/zinc/90/34/98/972903498.db2.gz STKRPLSGJHOIDY-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)s1 ZINC000409531577 972987630 /nfs/dbraw/zinc/98/76/30/972987630.db2.gz BSIDHWYDUDIAHL-UHFFFAOYSA-N 0 2 412.489 3.522 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 ZINC000409537227 972993264 /nfs/dbraw/zinc/99/32/64/972993264.db2.gz UGPSSTKIMBDOJS-UHFFFAOYSA-N 0 2 420.487 3.851 20 0 HHADLN COc1cccc(CC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c1 ZINC000409544841 973001274 /nfs/dbraw/zinc/00/12/74/973001274.db2.gz URMHVPYIHZBCSJ-UHFFFAOYSA-N 0 2 405.227 3.563 20 0 HHADLN CC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c1 ZINC000409546492 973003084 /nfs/dbraw/zinc/00/30/84/973003084.db2.gz USBWBHXRHWGHJS-UHFFFAOYSA-N 0 2 418.226 3.584 20 0 HHADLN O=S(=O)(Nc1cc(-c2ccoc2)nn1-c1ccccc1)c1cccc2c1OCCO2 ZINC000409630622 973077114 /nfs/dbraw/zinc/07/71/14/973077114.db2.gz KOKWOVWTXCYIRB-UHFFFAOYSA-N 0 2 423.450 3.704 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3cc(F)cc(F)c3)s2)c1 ZINC000409663441 973118110 /nfs/dbraw/zinc/11/81/10/973118110.db2.gz ADVJGUFDECIDDH-UHFFFAOYSA-N 0 2 424.450 3.600 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3ccc(-c4cncnc4)cn3)c2)n1 ZINC000410334832 973911878 /nfs/dbraw/zinc/91/18/78/973911878.db2.gz XYYBXKRMNORKED-UHFFFAOYSA-N 0 2 409.496 3.771 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3cccc4c3OC(C)(C)C4)s2)cc1 ZINC000410339071 973923122 /nfs/dbraw/zinc/92/31/22/973923122.db2.gz WHJNPZYFWDXIKC-UHFFFAOYSA-N 0 2 417.512 3.728 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2cccc(Br)c2F)cc1)C1CC1 ZINC000410363071 973956113 /nfs/dbraw/zinc/95/61/13/973956113.db2.gz FGBWSYCFXKQOKM-UHFFFAOYSA-N 0 2 413.268 3.738 20 0 HHADLN O=S(=O)(Nc1ccc(-n2cccn2)c(F)c1)c1cccc(Br)c1F ZINC000410367971 973962716 /nfs/dbraw/zinc/96/27/16/973962716.db2.gz SEMCKRXXUBGNJI-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN O=S(=O)(Nc1ccc(Oc2cccnc2)nc1)c1cccc(Br)c1F ZINC000410383824 973982416 /nfs/dbraw/zinc/98/24/16/973982416.db2.gz SGJYGAYWSRSWOJ-UHFFFAOYSA-N 0 2 424.251 3.971 20 0 HHADLN CCn1ncc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1C(F)(F)F ZINC000410402521 974001957 /nfs/dbraw/zinc/00/19/57/974001957.db2.gz IZQITAOPZIUBFZ-UHFFFAOYSA-N 0 2 403.304 3.621 20 0 HHADLN CCOc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1cccc(Cl)c1Cl ZINC000425980555 974090480 /nfs/dbraw/zinc/09/04/80/974090480.db2.gz LLLTUVANQQDKQQ-UHFFFAOYSA-N 0 2 417.314 3.895 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)c(Br)cn2)cc1Cl ZINC000426197251 974306273 /nfs/dbraw/zinc/30/62/73/974306273.db2.gz SUGUBGBQGXWPRC-UHFFFAOYSA-N 0 2 418.700 3.565 20 0 HHADLN CCc1ccc(-c2ccc(C[NH2+][C@H](Cn3ccc(C(F)(F)F)n3)C(=O)[O-])o2)cc1 ZINC000426762461 974641311 /nfs/dbraw/zinc/64/13/11/974641311.db2.gz KJSVCYMHIFLMTF-MRXNPFEDSA-N 0 2 407.392 3.967 20 0 HHADLN COCc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc(C(=O)OC)c1 ZINC000427292076 975029710 /nfs/dbraw/zinc/02/97/10/975029710.db2.gz MQPFHBHQNVZAFA-UHFFFAOYSA-N 0 2 421.368 3.578 20 0 HHADLN Cc1nc2ccc(S(=O)(=O)Nc3nnc(Cc4cccc(F)c4)s3)cc2s1 ZINC000427742350 975262959 /nfs/dbraw/zinc/26/29/59/975262959.db2.gz GLMNCCDZZRLWQC-UHFFFAOYSA-N 0 2 420.516 3.987 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccc2)o1)c1cccc(OC(F)(F)F)c1F ZINC000427748848 975266550 /nfs/dbraw/zinc/26/65/50/975266550.db2.gz MMJLOCVYSCTVNS-UHFFFAOYSA-N 0 2 403.313 3.575 20 0 HHADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccc3nc(C)sc3c2)n1 ZINC000427760736 975273249 /nfs/dbraw/zinc/27/32/49/975273249.db2.gz OERMHKZGKIDIFV-UHFFFAOYSA-N 0 2 408.555 3.716 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cccnc2C(F)(F)F)c1 ZINC000427791854 975291449 /nfs/dbraw/zinc/29/14/49/975291449.db2.gz YMGWWJUCMFPWTK-UHFFFAOYSA-N 0 2 408.785 3.731 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000427818794 975306838 /nfs/dbraw/zinc/30/68/38/975306838.db2.gz PPHCGYROWWDKKF-UHFFFAOYSA-N 0 2 410.783 3.986 20 0 HHADLN CN(C(N)=O)c1cccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 ZINC000427975095 975372113 /nfs/dbraw/zinc/37/21/13/975372113.db2.gz QSTKHVUKCNSXPH-UHFFFAOYSA-N 0 2 414.263 3.606 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](C)c3nc(C(F)(F)F)cs3)=N2)cc1 ZINC000428627131 975930867 /nfs/dbraw/zinc/93/08/67/975930867.db2.gz SIWBAUVPTYBCLO-VIFPVBQESA-N 0 2 412.393 3.553 20 0 HHADLN Cc1cnc([C@@H](C)NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)s1 ZINC000428873817 976164650 /nfs/dbraw/zinc/16/46/50/976164650.db2.gz WPSQDELLRBNGRA-LLVKDONJSA-N 0 2 423.545 3.592 20 0 HHADLN C[C@](O)(CN1c2ccccc2C(C)(C)C1=O)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000430275065 977440590 /nfs/dbraw/zinc/44/05/90/977440590.db2.gz SRBBTEAJCFZHCR-FQEVSTJZSA-N 0 2 423.296 3.713 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3)cn2)cc1 ZINC000430370651 977507149 /nfs/dbraw/zinc/50/71/49/977507149.db2.gz AJSDMUCKJOIDCF-UHFFFAOYSA-N 0 2 409.511 3.717 20 0 HHADLN CN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)nc1 ZINC000430376038 977510962 /nfs/dbraw/zinc/51/09/62/977510962.db2.gz ZLOJSGPPPTZOCA-UHFFFAOYSA-N 0 2 415.902 3.808 20 0 HHADLN Cc1cc(C)c(CNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)c(=O)[nH]1 ZINC000430409058 977529116 /nfs/dbraw/zinc/52/91/16/977529116.db2.gz RFCTUYYUCTUTGN-UHFFFAOYSA-N 0 2 415.449 3.968 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC(c4ncccc4Cl)CC3)=N2)cc1 ZINC000430504360 977605015 /nfs/dbraw/zinc/60/50/15/977605015.db2.gz NDWQFUVHLDBZMU-UHFFFAOYSA-N 0 2 412.877 3.655 20 0 HHADLN O=C(NCc1noc(C2CC2)n1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430572206 977638423 /nfs/dbraw/zinc/63/84/23/977638423.db2.gz JMUHUHZKOXTOBN-UHFFFAOYSA-N 0 2 402.410 3.511 20 0 HHADLN COCCOc1ccc(CC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)cc1 ZINC000430582410 977643424 /nfs/dbraw/zinc/64/34/24/977643424.db2.gz QEMSVPUQTNZRKF-UHFFFAOYSA-N 0 2 421.284 3.985 20 0 HHADLN CC[C@H](NC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O)[C@@H](O)C(F)(F)F ZINC000430588076 977646415 /nfs/dbraw/zinc/64/64/15/977646415.db2.gz BUQRUPAPWTVTTJ-QFBILLFUSA-N 0 2 420.387 3.752 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2cc3ccc(Br)cn3n2)cc1C ZINC000430662938 977675082 /nfs/dbraw/zinc/67/50/82/977675082.db2.gz SKFQHQMHKJOSEB-UHFFFAOYSA-N 0 2 410.293 3.523 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3ccc(F)cc3)o2)sc1Br ZINC000430678830 977688779 /nfs/dbraw/zinc/68/87/79/977688779.db2.gz OCXPIFVSZLHFOG-UHFFFAOYSA-N 0 2 418.269 3.809 20 0 HHADLN COc1cc(NS(=O)(=O)c2sc(C)cc2C)ccc1NC(=O)c1cccnc1 ZINC000431177183 978076193 /nfs/dbraw/zinc/07/61/93/978076193.db2.gz FPGZSOAHCVBVQU-UHFFFAOYSA-N 0 2 417.512 3.822 20 0 HHADLN Cc1cc(C)c(S(=O)(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3)c2)s1 ZINC000431183287 978081906 /nfs/dbraw/zinc/08/19/06/978081906.db2.gz OZRIUHVZPUUXLU-UHFFFAOYSA-N 0 2 422.553 3.967 20 0 HHADLN O=S(=O)(Nc1nnc(C(F)(F)F)s1)c1ccc(OCc2ccccc2)cc1 ZINC000431315576 978200948 /nfs/dbraw/zinc/20/09/48/978200948.db2.gz YRUGXONPHCUITN-UHFFFAOYSA-N 0 2 415.418 3.937 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nnc(-c2cc(C)cc(C)c2)s1 ZINC000431317098 978201655 /nfs/dbraw/zinc/20/16/55/978201655.db2.gz CORQAAFNVBTCBF-UHFFFAOYSA-N 0 2 421.475 3.548 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)c1 ZINC000431319215 978204401 /nfs/dbraw/zinc/20/44/01/978204401.db2.gz PFTVLHMBPOMXAS-UHFFFAOYSA-N 0 2 411.892 3.677 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)cc1 ZINC000431327061 978212347 /nfs/dbraw/zinc/21/23/47/978212347.db2.gz GARJSFVXNPREHE-UHFFFAOYSA-N 0 2 416.528 3.605 20 0 HHADLN O=S(=O)(Nc1nnc(SCc2cccs2)s1)c1cc(F)ccc1F ZINC000431331284 978215904 /nfs/dbraw/zinc/21/59/04/978215904.db2.gz HRBGNRZPQPLODV-UHFFFAOYSA-N 0 2 405.498 3.971 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)c(C)c1 ZINC000431351420 978228980 /nfs/dbraw/zinc/22/89/80/978228980.db2.gz RDYWXIGSRJIIAB-UHFFFAOYSA-N 0 2 407.542 3.948 20 0 HHADLN CCCc1c(NS(=O)(=O)c2c(C)nn(CC)c2C)cnn1-c1ccc(C)cc1 ZINC000431891382 978581845 /nfs/dbraw/zinc/58/18/45/978581845.db2.gz KVTGODDBRHGLPV-UHFFFAOYSA-N 0 2 401.536 3.767 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2cc(Br)c(F)c(C(=O)OC)c2)s1 ZINC000431926980 978606113 /nfs/dbraw/zinc/60/61/13/978606113.db2.gz UDXVUBVCDJBLBM-UHFFFAOYSA-N 0 2 422.297 3.800 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N[C@H](CO)c2ccc(Cl)cc2C(F)(F)F)s[nH]1 ZINC000432075561 978670216 /nfs/dbraw/zinc/67/02/16/978670216.db2.gz ARUZDXYGCLPXTH-LLVKDONJSA-N 0 2 422.860 3.785 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccsc2C(=O)OC)cnn1-c1ccc(F)cc1 ZINC000432082565 978673154 /nfs/dbraw/zinc/67/31/54/978673154.db2.gz UEERDUQWSZQRPE-UHFFFAOYSA-N 0 2 423.491 3.613 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)s[nH]1 ZINC000432091482 978676406 /nfs/dbraw/zinc/67/64/06/978676406.db2.gz OIZFSJAQHIRCRC-UHFFFAOYSA-N 0 2 418.954 3.842 20 0 HHADLN O=S(=O)(Nc1nnc(C(F)(F)F)s1)c1ccc(Cl)c(Br)c1 ZINC000432346940 978770200 /nfs/dbraw/zinc/77/02/00/978770200.db2.gz MTIWPAATZWIJMR-UHFFFAOYSA-N 0 2 422.635 3.774 20 0 HHADLN O=c1ccc2cc(S(=O)(=O)Nc3nc(/C=C\c4ccccc4)cs3)ccc2[nH]1 ZINC000432350868 978772331 /nfs/dbraw/zinc/77/23/31/978772331.db2.gz GGASRLBRNAPTED-VURMDHGXSA-N 0 2 409.492 3.956 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)sc1C1CC1 ZINC000432360254 978777261 /nfs/dbraw/zinc/77/72/61/978777261.db2.gz VADRDZUPDDANDF-UHFFFAOYSA-N 0 2 422.406 3.507 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 ZINC000432422800 978805727 /nfs/dbraw/zinc/80/57/27/978805727.db2.gz HCZBWUFLTLGLDT-JKSUJKDBSA-N 0 2 408.512 3.552 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CC[C@@](C)(c4ccc(F)cc4)C3)s[nH]2)c1 ZINC000432429418 978808357 /nfs/dbraw/zinc/80/83/57/978808357.db2.gz GBISLVJYZBDODZ-OAQYLSRUSA-N 0 2 412.490 3.970 20 0 HHADLN COc1ccccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1-c1nc(C)no1 ZINC000432481216 978839053 /nfs/dbraw/zinc/83/90/53/978839053.db2.gz AWJPNEHIXJCTFK-UHFFFAOYSA-N 0 2 413.377 3.873 20 0 HHADLN COCCn1cc(S(=O)(=O)Nc2ccc(Cl)cc2Nc2ccccc2)cn1 ZINC000432495033 978848582 /nfs/dbraw/zinc/84/85/82/978848582.db2.gz PSTMBDFCTUZDNT-UHFFFAOYSA-N 0 2 406.895 3.727 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000432641964 978922343 /nfs/dbraw/zinc/92/23/43/978922343.db2.gz GCBPYOKPCPZIEO-UHFFFAOYSA-N 0 2 400.463 3.876 20 0 HHADLN CN(C)c1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)cc1 ZINC000432776045 978970908 /nfs/dbraw/zinc/97/09/08/978970908.db2.gz YMTZORLIGXZZJH-UHFFFAOYSA-N 0 2 410.421 3.758 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCC(C(=O)c2ccc(F)cc2)CC1 ZINC000432943310 979017992 /nfs/dbraw/zinc/01/79/92/979017992.db2.gz LGDQMRZEFSHCPS-UHFFFAOYSA-N 0 2 410.474 3.893 20 0 HHADLN CCc1nc(NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)sc1C(=O)OC ZINC000432952631 979021504 /nfs/dbraw/zinc/02/15/04/979021504.db2.gz YPMTUTLJIIKJEZ-UHFFFAOYSA-N 0 2 412.533 3.733 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc([C@@H]3Cc4ccccc4O3)o2)cc1Cl ZINC000432955169 979022609 /nfs/dbraw/zinc/02/26/09/979022609.db2.gz RKBPVWPACWUHOV-HNNXBMFYSA-N 0 2 421.862 3.517 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2cc(C)nn2-c2ccccn2)cc1C(C)C ZINC000432957918 979024080 /nfs/dbraw/zinc/02/40/80/979024080.db2.gz DDKXLZWIACQXLX-UHFFFAOYSA-N 0 2 400.504 3.817 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCCC3CC(OC(C)(C)C)C3)s[nH]2)c1 ZINC000433080960 979062976 /nfs/dbraw/zinc/06/29/76/979062976.db2.gz FMSZOPAEGORHFP-UHFFFAOYSA-N 0 2 404.536 3.741 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ncc(-c3ccccc3)s2)c1C ZINC000433374874 979262241 /nfs/dbraw/zinc/26/22/41/979262241.db2.gz GKSVUFPBLRCZOA-UHFFFAOYSA-N 0 2 405.501 3.733 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)n(C2CCOCC2)n1 ZINC000433406780 979280782 /nfs/dbraw/zinc/28/07/82/979280782.db2.gz SBPAEFSBJBGPKM-UHFFFAOYSA-N 0 2 421.853 3.599 20 0 HHADLN O=S(=O)(Nc1cccc(-n2ccnn2)c1)c1cc(Br)sc1Cl ZINC000433598739 979414835 /nfs/dbraw/zinc/41/48/35/979414835.db2.gz HTVSZOWWKLTNAJ-UHFFFAOYSA-N 0 2 419.713 3.546 20 0 HHADLN CC(C)Oc1ccc(Br)cc1NS(=O)(=O)c1c[nH]c2ncccc21 ZINC000433598799 979415031 /nfs/dbraw/zinc/41/50/31/979415031.db2.gz IAVXCQMKDASXBK-UHFFFAOYSA-N 0 2 410.293 3.913 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)Nc3nn(C4CCCCC4)cc3C)s[nH]2)c1 ZINC000434207709 979976216 /nfs/dbraw/zinc/97/62/16/979976216.db2.gz UQUNROSWMNWIDE-UHFFFAOYSA-N 0 2 412.519 4.290 20 0 HHADLN C[C@H]1c2c(Cl)cc(Cl)cc2CCN1C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000434360334 980114192 /nfs/dbraw/zinc/11/41/92/980114192.db2.gz AJWJYVXODWUZMX-QMMMGPOBSA-N 0 2 405.241 3.502 20 0 HHADLN O=C1[C@@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCN1c1ccc(F)c(Cl)c1 ZINC000434688826 980341180 /nfs/dbraw/zinc/34/11/80/980341180.db2.gz QBSDHCREIBHQNU-FQEVSTJZSA-N 0 2 416.928 3.997 20 0 HHADLN C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688580 980341459 /nfs/dbraw/zinc/34/14/59/980341459.db2.gz NPNBPQAJNCJCDX-QGZVFWFLSA-N 0 2 424.545 3.587 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)cc1Br ZINC000434965770 980537078 /nfs/dbraw/zinc/53/70/78/980537078.db2.gz HKUWVTMNIYPOSJ-UHFFFAOYSA-N 0 2 408.277 3.649 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cnn1-c1ccccc1F ZINC000435131812 980662983 /nfs/dbraw/zinc/66/29/83/980662983.db2.gz SVSMLMMVIXYMQP-UHFFFAOYSA-N 0 2 422.441 3.840 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2C)c1 ZINC000435136951 980667891 /nfs/dbraw/zinc/66/78/91/980667891.db2.gz IQFWYGDIYWQGIJ-UHFFFAOYSA-N 0 2 423.853 3.561 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2cc(F)ccc2Br)cc1Cl ZINC000435141197 980672977 /nfs/dbraw/zinc/67/29/77/980672977.db2.gz NJUGRWKWVLINOG-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2C)cc1Cl ZINC000435143710 980675452 /nfs/dbraw/zinc/67/54/52/980675452.db2.gz URFWMBDEVYHYPH-UHFFFAOYSA-N 0 2 422.869 3.732 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)cnn1C1CCCC1 ZINC000435722238 981002769 /nfs/dbraw/zinc/00/27/69/981002769.db2.gz ICIUEVXOGYCWHY-OAHLLOKOSA-N 0 2 423.510 3.662 20 0 HHADLN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2cnn(C3CCCC3)c2C)cc1 ZINC000435729599 981005750 /nfs/dbraw/zinc/00/57/50/981005750.db2.gz DQBDDKNFUAMTKX-UHFFFAOYSA-N 0 2 404.536 3.589 20 0 HHADLN Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000436004329 981147032 /nfs/dbraw/zinc/14/70/32/981147032.db2.gz CNZQHZAOVUJSFV-UHFFFAOYSA-N 0 2 405.483 3.747 20 0 HHADLN Cc1cc(Br)cc(S(=O)(=O)Nc2cnc(-c3cccc(O)c3)nc2)c1 ZINC000436021374 981161290 /nfs/dbraw/zinc/16/12/90/981161290.db2.gz IMGDSAIAZLGPPJ-UHFFFAOYSA-N 0 2 420.288 3.721 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1cccc(Br)c1C ZINC000436173774 981234483 /nfs/dbraw/zinc/23/44/83/981234483.db2.gz BZCNFTSAAWSLAJ-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN CCN(Cc1ccc(OC)c(OC)c1)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000436319665 981296332 /nfs/dbraw/zinc/29/63/32/981296332.db2.gz QRDGIVSRCBYXLX-UHFFFAOYSA-N 0 2 415.877 3.911 20 0 HHADLN O=S(=O)(Nc1ccc(-c2csnn2)cc1)c1cc(C(F)(F)F)ccc1O ZINC000436476995 981393819 /nfs/dbraw/zinc/39/38/19/981393819.db2.gz KWEFLIVFOGFWSS-UHFFFAOYSA-N 0 2 401.391 3.730 20 0 HHADLN O=C(Nc1ncc(C(F)(F)F)[nH]1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O ZINC000436518380 981413737 /nfs/dbraw/zinc/41/37/37/981413737.db2.gz RAHJVSBXBMHGHH-CQSZACIVSA-N 0 2 418.375 3.531 20 0 HHADLN CNC(=O)c1cc(Oc2cc(C)ccc2NC(=O)c2cc(F)c(O)c(F)c2)ccn1 ZINC000436524747 981417334 /nfs/dbraw/zinc/41/73/34/981417334.db2.gz KNIOIJTULZFBFW-UHFFFAOYSA-N 0 2 413.380 3.778 20 0 HHADLN O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)c2cc(F)c(O)c(F)c2)cc1 ZINC000436531889 981424204 /nfs/dbraw/zinc/42/42/04/981424204.db2.gz QHGOVOPKRXUXMA-UHFFFAOYSA-N 0 2 400.356 3.992 20 0 HHADLN CC[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000436535222 981426550 /nfs/dbraw/zinc/42/65/50/981426550.db2.gz YUALMJZHXDLMPC-GOSISDBHSA-N 0 2 418.440 3.553 20 0 HHADLN Cc1ccncc1NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000436565331 981447911 /nfs/dbraw/zinc/44/79/11/981447911.db2.gz IVSFJJCHGOTWKN-UHFFFAOYSA-N 0 2 417.874 3.802 20 0 HHADLN CC(C)OCc1nc([C@H](C)NC(=O)c2cc(Cl)cc(Br)c2O)no1 ZINC000436610090 981472992 /nfs/dbraw/zinc/47/29/92/981472992.db2.gz MMLBSYPRMSCRMB-QMMMGPOBSA-N 0 2 418.675 3.607 20 0 HHADLN O=C(Nc1cccc(NS(=O)(=O)c2ccccc2)c1)c1cc(F)c(O)c(F)c1 ZINC000436636406 981486313 /nfs/dbraw/zinc/48/63/13/981486313.db2.gz RFGANWQXIZQKDH-UHFFFAOYSA-N 0 2 404.394 3.724 20 0 HHADLN O=C(NCCc1nnnn1-c1ccccc1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436647413 981490972 /nfs/dbraw/zinc/49/09/72/981490972.db2.gz KIBKLHPCMYAEFK-UHFFFAOYSA-N 0 2 419.872 3.661 20 0 HHADLN COC(=O)C[C@H]1CSCCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436733420 981536852 /nfs/dbraw/zinc/53/68/52/981536852.db2.gz XBAIPTKKEUGQRX-HNNXBMFYSA-N 0 2 405.903 3.833 20 0 HHADLN CC[C@@H]1CC[C@H](C)N1C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O ZINC000436749501 981544460 /nfs/dbraw/zinc/54/44/60/981544460.db2.gz YSCFCUUDYGNGLC-LSDHHAIUSA-N 0 2 418.515 3.605 20 0 HHADLN O=C(c1ccc(Cl)cc1F)N1CCN(C(=O)c2cc(F)cc(Cl)c2O)CC1 ZINC000436778556 981557532 /nfs/dbraw/zinc/55/75/32/981557532.db2.gz RBHWGABEXCUDHM-UHFFFAOYSA-N 0 2 415.223 3.575 20 0 HHADLN Cc1c(CSC(C)C)cccc1NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O ZINC000436782668 981559488 /nfs/dbraw/zinc/55/94/88/981559488.db2.gz OWJZDWDRIQQYIR-UHFFFAOYSA-N 0 2 422.572 3.845 20 0 HHADLN O=C(Nc1ccc(CN2CCCC2=O)cc1)c1cc(F)cc(Br)c1O ZINC000436847385 981588329 /nfs/dbraw/zinc/58/83/29/981588329.db2.gz JWNGOCRYCFAYMY-UHFFFAOYSA-N 0 2 407.239 3.669 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000436848052 981588415 /nfs/dbraw/zinc/58/84/15/981588415.db2.gz MNSTVSJXDJLJOC-UHFFFAOYSA-N 0 2 413.674 3.910 20 0 HHADLN CC(=O)N1CC[C@H](NC(=O)c2cc(F)cc(Br)c2O)c2ccccc21 ZINC000436850408 981589996 /nfs/dbraw/zinc/58/99/96/981589996.db2.gz HVDJVKMOOFSSCD-HNNXBMFYSA-N 0 2 407.239 3.522 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CC[C@@H](COCc2ccccc2)C1 ZINC000436853979 981592009 /nfs/dbraw/zinc/59/20/09/981592009.db2.gz DVZNOGBFISAITD-CQSZACIVSA-N 0 2 408.267 3.973 20 0 HHADLN O=C(c1cc(F)cc(Br)c1[O-])N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000436854517 981593052 /nfs/dbraw/zinc/59/30/52/981593052.db2.gz SQNBTPUEHGCFDJ-UHFFFAOYSA-N 0 2 410.287 3.823 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCN(c2cccc(F)c2F)CC1 ZINC000436859167 981595262 /nfs/dbraw/zinc/59/52/62/981595262.db2.gz RKGQXRIJBGAXOI-UHFFFAOYSA-N 0 2 415.209 3.534 20 0 HHADLN O=C(NCCc1nc(-c2ccncc2)cs1)c1cc(F)cc(Br)c1O ZINC000436860058 981595814 /nfs/dbraw/zinc/59/58/14/981595814.db2.gz UZGWUNGHPLSXSR-UHFFFAOYSA-N 0 2 422.279 3.785 20 0 HHADLN C[C@H](CNC(=O)c1cc(F)cc(Br)c1O)c1nc(-c2ccccc2)no1 ZINC000436864977 981596680 /nfs/dbraw/zinc/59/66/80/981596680.db2.gz QFHYUPQSBTYEGX-SNVBAGLBSA-N 0 2 420.238 3.877 20 0 HHADLN Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1cc(F)cc(Br)c1O ZINC000436895780 981604660 /nfs/dbraw/zinc/60/46/60/981604660.db2.gz YZEVVULYSGUJTH-UHFFFAOYSA-N 0 2 421.226 3.775 20 0 HHADLN CO[C@@H](c1ccc(Br)cc1)[C@H](C)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000436967901 981654474 /nfs/dbraw/zinc/65/44/74/981654474.db2.gz RGHWKPSGFORNHZ-XXFAHNHDSA-N 0 2 400.219 3.939 20 0 HHADLN Cn1cnnc1Sc1ccc(NC(=O)c2cc(F)cc(Br)c2O)cc1 ZINC000437003320 981679795 /nfs/dbraw/zinc/67/97/95/981679795.db2.gz SNSPYJWWBNWXGX-UHFFFAOYSA-N 0 2 423.267 3.826 20 0 HHADLN O=C(N=c1ccc(-c2ccccc2)n[nH]1)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000448354485 981719496 /nfs/dbraw/zinc/71/94/96/981719496.db2.gz KJLKMPGMWSVQIS-JOCHJYFZSA-N 0 2 413.481 3.545 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2F)s1)c1cccc2ncccc21 ZINC000437164362 981814760 /nfs/dbraw/zinc/81/47/60/981814760.db2.gz KUZNDKJHASADCP-UHFFFAOYSA-N 0 2 400.460 3.617 20 0 HHADLN CCCCc1nnc(NS(=O)(=O)c2cc(Br)c(C)cc2OC)s1 ZINC000437166827 981819551 /nfs/dbraw/zinc/81/95/51/981819551.db2.gz QPIVGRWKMOKCFT-UHFFFAOYSA-N 0 2 420.354 3.761 20 0 HHADLN CCCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)s1 ZINC000437167692 981820610 /nfs/dbraw/zinc/82/06/10/981820610.db2.gz OOGCAVFEVBXWEQ-UHFFFAOYSA-N 0 2 420.491 3.683 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCOc2c(F)cccc2C1 ZINC000448485957 981825354 /nfs/dbraw/zinc/82/53/54/981825354.db2.gz OWVFVQONIOPODM-UHFFFAOYSA-N 0 2 400.631 3.982 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3F)s2)c(C)c1C ZINC000437176800 981832784 /nfs/dbraw/zinc/83/27/84/981832784.db2.gz ORMDGLHSNJNHSR-UHFFFAOYSA-N 0 2 407.492 3.694 20 0 HHADLN CCOC(=O)c1cccc(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)c1 ZINC000437182902 981839466 /nfs/dbraw/zinc/83/94/66/981839466.db2.gz KHPVMGMAAPOTRT-UHFFFAOYSA-N 0 2 409.533 3.638 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(F)c2)s1)c1cnc2ccsc2c1 ZINC000437185442 981841922 /nfs/dbraw/zinc/84/19/22/981841922.db2.gz SFMUTMMDLARRQM-UHFFFAOYSA-N 0 2 406.489 3.679 20 0 HHADLN CCC(CC)c1nnc(NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)s1 ZINC000437193817 981851110 /nfs/dbraw/zinc/85/11/10/981851110.db2.gz JUTOXQNEVCTXCK-UHFFFAOYSA-N 0 2 403.913 3.683 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)NC1(C)CCOCC1 ZINC000448544865 981873541 /nfs/dbraw/zinc/87/35/41/981873541.db2.gz ZJEUBYYKZSBBIW-UHFFFAOYSA-N 0 2 421.494 3.626 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)NCc1nccs1 ZINC000448545450 981874537 /nfs/dbraw/zinc/87/45/37/981874537.db2.gz AZDFHNXRUUUGOS-UHFFFAOYSA-N 0 2 420.491 3.713 20 0 HHADLN CCc1cnc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)s1 ZINC000437297915 981951315 /nfs/dbraw/zinc/95/13/15/981951315.db2.gz BPYDJAHRLCHXOX-UHFFFAOYSA-N 0 2 412.430 3.923 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2nc3c(ccc4c3CCCC4)s2)cc1 ZINC000437303666 981955625 /nfs/dbraw/zinc/95/56/25/981955625.db2.gz CTPJHAYGUDYZMN-UHFFFAOYSA-N 0 2 415.540 3.959 20 0 HHADLN CCc1nc(NS(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)sc1C ZINC000437309459 981962110 /nfs/dbraw/zinc/96/21/10/981962110.db2.gz UTILSWJIWJCMFZ-UHFFFAOYSA-N 0 2 409.867 3.705 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2ncc(C(C)C)s2)cn1 ZINC000437319639 981971476 /nfs/dbraw/zinc/97/14/76/981971476.db2.gz FBGSCEVENXIYLK-UHFFFAOYSA-N 0 2 412.924 3.915 20 0 HHADLN CC(C)c1cccc(S(=O)(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)c1 ZINC000437394077 982038180 /nfs/dbraw/zinc/03/81/80/982038180.db2.gz LOTNFWVAEUFBLJ-GASCZTMLSA-N 0 2 409.577 3.677 20 0 HHADLN COC(=O)c1cc(C)nc2nc(NS(=O)(=O)c3ccccc3C(C)(C)C)sc21 ZINC000437399652 982043714 /nfs/dbraw/zinc/04/37/14/982043714.db2.gz YYEFANBCMWUGHV-UHFFFAOYSA-N 0 2 419.528 3.885 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2nc3c(cccc3C(F)(F)F)s2)c1C ZINC000437409373 982051985 /nfs/dbraw/zinc/05/19/85/982051985.db2.gz RHUCDILNXGHIPN-UHFFFAOYSA-N 0 2 404.439 3.949 20 0 HHADLN C[C@@H]1CCCN(Cc2csc(NS(=O)(=O)c3cccc4cccnc43)n2)C1 ZINC000437413320 982055460 /nfs/dbraw/zinc/05/54/60/982055460.db2.gz QRLUEQHXKJLDGX-CQSZACIVSA-N 0 2 402.545 3.724 20 0 HHADLN CCCCNc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000437662089 982278623 /nfs/dbraw/zinc/27/86/23/982278623.db2.gz LAGIAVXRAVXBDT-UHFFFAOYSA-N 0 2 402.442 3.861 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2F)nc1C(F)(F)F ZINC000460534335 982321303 /nfs/dbraw/zinc/32/13/03/982321303.db2.gz OHSUFSGENGEOBH-UHFFFAOYSA-N 0 2 412.386 3.587 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2cccc(Cl)c2)nc1C(F)(F)F ZINC000460536405 982323979 /nfs/dbraw/zinc/32/39/79/982323979.db2.gz WOHZQUFMQHFYSF-UHFFFAOYSA-N 0 2 414.814 3.793 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2cc(C3CCCC3)n[nH]2)cc1)c1ccncc1 ZINC000437926252 982467205 /nfs/dbraw/zinc/46/72/05/982467205.db2.gz BEKVFPUOTSCBMB-UHFFFAOYSA-N 0 2 411.487 3.515 20 0 HHADLN O=S(=O)(Nc1ccc(Br)c(F)c1)c1cnn(Cc2ccccc2)c1 ZINC000460824479 982576346 /nfs/dbraw/zinc/57/63/46/982576346.db2.gz RKMASQKKAKNWKA-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN O=S(=O)(Nc1cccc(-c2nccs2)c1)c1cnn(-c2ccccc2F)c1 ZINC000460825419 982577120 /nfs/dbraw/zinc/57/71/20/982577120.db2.gz VAGWYFICHJUJSR-UHFFFAOYSA-N 0 2 400.460 3.936 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(OC(C)C)nc2)cnn1-c1ccc(Cl)cc1 ZINC000460826719 982577588 /nfs/dbraw/zinc/57/75/88/982577588.db2.gz IIADTEBATHTNDE-UHFFFAOYSA-N 0 2 406.895 3.817 20 0 HHADLN CCCC(=O)Nc1cccc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1C ZINC000460827023 982578150 /nfs/dbraw/zinc/57/81/50/982578150.db2.gz DCFOJQRIJDIBSU-UHFFFAOYSA-N 0 2 416.478 3.859 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CC3)cnn1-c1ccc(Cl)cc1 ZINC000460833376 982583423 /nfs/dbraw/zinc/58/34/23/982583423.db2.gz ZSUBGCVAWVKTFK-UHFFFAOYSA-N 0 2 416.890 3.520 20 0 HHADLN O=S(=O)(Nc1ccc(Oc2ccccn2)cc1)c1cnn(-c2ccccc2F)c1 ZINC000460834871 982585000 /nfs/dbraw/zinc/58/50/00/982585000.db2.gz XBLOIDBFEPJWRB-UHFFFAOYSA-N 0 2 410.430 4.000 20 0 HHADLN O=S(=O)(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1ccc(C(F)(F)F)s1 ZINC000461117528 982811517 /nfs/dbraw/zinc/81/15/17/982811517.db2.gz WEFHGLBFOBCGNQ-UHFFFAOYSA-N 0 2 422.841 3.861 20 0 HHADLN Cc1sc(Br)cc1S(=O)(=O)Nc1c(C)c(C(F)(F)F)nn1C ZINC000461144786 982850120 /nfs/dbraw/zinc/85/01/20/982850120.db2.gz NMQOZXAFKXQMOY-UHFFFAOYSA-N 0 2 418.260 3.681 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cccc(-c3ncc(C)o3)c2)cn1 ZINC000438752952 983046320 /nfs/dbraw/zinc/04/63/20/983046320.db2.gz HKEUSXGQRVFRJA-UHFFFAOYSA-N 0 2 410.455 3.645 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)Nc2cccc(COC3CCCCC3)c2)s[nH]1 ZINC000438757362 983049694 /nfs/dbraw/zinc/04/96/94/983049694.db2.gz LBMKQJKBHFTLLH-UHFFFAOYSA-N 0 2 416.547 3.684 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccc(OC)cc3)nc2)cs1 ZINC000438775519 983063496 /nfs/dbraw/zinc/06/34/96/983063496.db2.gz RATJSNJNSCDUSU-UHFFFAOYSA-N 0 2 420.468 3.531 20 0 HHADLN CCCOc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3OC)c2)c(C)c1 ZINC000438794029 983074893 /nfs/dbraw/zinc/07/48/93/983074893.db2.gz MFRIGIOMYQBQCT-UHFFFAOYSA-N 0 2 401.488 3.779 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc3nc(C)sc3c2)cn1 ZINC000438817476 983091418 /nfs/dbraw/zinc/09/14/18/983091418.db2.gz YPIILSZZNKEZIZ-UHFFFAOYSA-N 0 2 400.485 3.600 20 0 HHADLN O=S(=O)(Nc1cnn(Cc2ccccc2)c1)c1ccc(F)c(Br)c1 ZINC000438818843 983092439 /nfs/dbraw/zinc/09/24/39/983092439.db2.gz MBXFNWWZJHPZLQ-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC[C@H]2Cc2ccccc2OC)=N1 ZINC000438939694 983167021 /nfs/dbraw/zinc/16/70/21/983167021.db2.gz SXDZPUMNKBSNEP-IBGZPJMESA-N 0 2 405.498 3.996 20 0 HHADLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc([C@H](C)CC)cc2)sc1C(C)=O ZINC000439000938 983203515 /nfs/dbraw/zinc/20/35/15/983203515.db2.gz OHHFWIICTKNDPS-LLVKDONJSA-N 0 2 410.517 3.837 20 0 HHADLN COc1cc(CNC(=O)C2=NN(c3ccccc3)CC2=O)ccc1OC1CCCC1 ZINC000439012220 983209642 /nfs/dbraw/zinc/20/96/42/983209642.db2.gz UBZKBRPFPKMRJY-UHFFFAOYSA-N 0 2 407.470 3.838 20 0 HHADLN COCCn1cc(S(=O)(=O)Nc2ccc(-c3cccc(Cl)c3)cc2C)cn1 ZINC000439036918 983222340 /nfs/dbraw/zinc/22/23/40/983222340.db2.gz COOUOEATBIXING-UHFFFAOYSA-N 0 2 405.907 3.959 20 0 HHADLN COCCn1cc(S(=O)(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cn1 ZINC000439044232 983225096 /nfs/dbraw/zinc/22/50/96/983225096.db2.gz ZEEHYHDZWIDRDB-UHFFFAOYSA-N 0 2 421.906 3.563 20 0 HHADLN Cc1c(NS(=O)(=O)c2ccc(C(C)(C)C)s2)cccc1C(=O)N1CCOCC1 ZINC000439055360 983230416 /nfs/dbraw/zinc/23/04/16/983230416.db2.gz IRDFCMMEFGXMSV-UHFFFAOYSA-N 0 2 422.572 3.627 20 0 HHADLN O=C(CCCOc1cccnc1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439246335 983329289 /nfs/dbraw/zinc/32/92/89/983329289.db2.gz LRVHJLINOIEGBD-UHFFFAOYSA-N 0 2 420.242 3.566 20 0 HHADLN C[C@@H](Oc1ccccc1F)C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439251887 983332516 /nfs/dbraw/zinc/33/25/16/983332516.db2.gz XYZBKXFKUOTEQU-SECBINFHSA-N 0 2 423.217 3.918 20 0 HHADLN COc1ccc(C(=O)N2CCCC2)cc1NS(=O)(=O)c1cccc2ccccc21 ZINC000439571906 983455613 /nfs/dbraw/zinc/45/56/13/983455613.db2.gz OEIIXQRZZZCQQW-UHFFFAOYSA-N 0 2 410.495 3.885 20 0 HHADLN CC1(C)Cc2cc(S(=O)(=O)Nc3nc(CN4CCCCC4)cs3)ccc2O1 ZINC000439885557 983569873 /nfs/dbraw/zinc/56/98/73/983569873.db2.gz ZRRUUPLOAWPNOI-UHFFFAOYSA-N 0 2 407.561 3.643 20 0 HHADLN O=S(=O)(Nc1ccc(N2CCOCC2)nc1)c1c(Cl)ccc2ccccc21 ZINC000439887693 983571007 /nfs/dbraw/zinc/57/10/07/983571007.db2.gz LCNHQEAQTYBOSO-UHFFFAOYSA-N 0 2 403.891 3.526 20 0 HHADLN NC(=O)CCNc1ccccc1NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000440295133 983709620 /nfs/dbraw/zinc/70/96/20/983709620.db2.gz MFEGLVNJKQAXPK-UHFFFAOYSA-N 0 2 403.891 3.581 20 0 HHADLN CCCC[C@H](CCC)CNC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 ZINC000440817674 983919937 /nfs/dbraw/zinc/91/99/37/983919937.db2.gz HLMQABPCEYYICE-AWEZNQCLSA-N 0 2 412.581 3.619 20 0 HHADLN O=S(=O)(Nc1ccc(OC2CCCCC2)cc1)c1cnn(C2CCOCC2)c1 ZINC000440825614 983924459 /nfs/dbraw/zinc/92/44/59/983924459.db2.gz WTVKDCROCHVEOR-UHFFFAOYSA-N 0 2 405.520 3.747 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OCC(F)F)cc1Cl ZINC000440836552 983930765 /nfs/dbraw/zinc/93/07/65/983930765.db2.gz ZYNDJOYRJDXXEM-UHFFFAOYSA-N 0 2 405.806 3.571 20 0 HHADLN O=S(=O)(Nc1nc(/C=C\c2ccccc2)cs1)c1cnn(C2CCOCC2)c1 ZINC000441378172 984219023 /nfs/dbraw/zinc/21/90/23/984219023.db2.gz MHXKROZFEYTDOI-SREVYHEPSA-N 0 2 416.528 3.662 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N2CCCCC[C@H]2/C=C/c2cccs2)s[nH]1 ZINC000442484778 984987046 /nfs/dbraw/zinc/98/70/46/984987046.db2.gz XLFUNOLEBXIQLS-VNDWYCCKSA-N 0 2 418.588 3.742 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2c3ccccc3C[C@@H]2C)c(F)c1Cl ZINC000462137316 985107537 /nfs/dbraw/zinc/10/75/37/985107537.db2.gz ITWZCCDVQWDNOE-HUTHGQBESA-N 0 2 414.861 3.788 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2c3ccccc3C[C@@H]2C)c(F)c1Cl ZINC000462137319 985107630 /nfs/dbraw/zinc/10/76/30/985107630.db2.gz ITWZCCDVQWDNOE-XYZCENFISA-N 0 2 414.861 3.788 20 0 HHADLN CSC[C@H](C)C(=O)N1CCC(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC1 ZINC000442727010 985188148 /nfs/dbraw/zinc/18/81/48/985188148.db2.gz UZXFLSLGFJKBPR-JTQLQIEISA-N 0 2 405.347 3.875 20 0 HHADLN Cc1sc(Br)c(C(=O)NCc2nnc(COc3ccccc3)[nH]2)c1C ZINC000442754113 985204617 /nfs/dbraw/zinc/20/46/17/985204617.db2.gz VXCIBMMLBUTSPK-UHFFFAOYSA-N 0 2 421.320 3.755 20 0 HHADLN CN(C)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000442810296 985223220 /nfs/dbraw/zinc/22/32/20/985223220.db2.gz MVPXDOJOUVWINS-UHFFFAOYSA-N 0 2 413.343 3.986 20 0 HHADLN Cc1cc(C(=O)NCC(C)C)ccc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000442816969 985226399 /nfs/dbraw/zinc/22/63/99/985226399.db2.gz LLSDQUGJQIJDGZ-UHFFFAOYSA-N 0 2 415.437 3.595 20 0 HHADLN O=S(=O)(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1cnccc1C(F)(F)F ZINC000442821050 985227582 /nfs/dbraw/zinc/22/75/82/985227582.db2.gz UHYJOFPQCICBFS-HOTGVXAUSA-N 0 2 416.421 3.584 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccnc(Sc2ccccn2)c1 ZINC000442822779 985228416 /nfs/dbraw/zinc/22/84/16/985228416.db2.gz XSLVTDANUIIRLQ-UHFFFAOYSA-N 0 2 421.525 3.585 20 0 HHADLN CCC(C)(C)OCc1ccccc1NS(=O)(=O)c1ccc(C(=O)OC)cc1OC ZINC000442824739 985230616 /nfs/dbraw/zinc/23/06/16/985230616.db2.gz KHPYZDMUILOQRU-UHFFFAOYSA-N 0 2 421.515 3.988 20 0 HHADLN O=C(Nc1ccccn1)c1cccc(NS(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000442827697 985231174 /nfs/dbraw/zinc/23/11/74/985231174.db2.gz LNMDKQDTUGYOSH-UHFFFAOYSA-N 0 2 422.388 3.549 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000443149010 985408209 /nfs/dbraw/zinc/40/82/09/985408209.db2.gz ZJAAHIVFRJXENN-UHFFFAOYSA-N 0 2 408.526 3.691 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2N2CCCCCC2)c(OC)c1 ZINC000443154395 985413382 /nfs/dbraw/zinc/41/33/82/985413382.db2.gz GMASAKRWVFXYMB-UHFFFAOYSA-N 0 2 418.515 3.663 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2cccc(Cl)c2)c(F)c1Cl ZINC000462476292 985432741 /nfs/dbraw/zinc/43/27/41/985432741.db2.gz SQEUJURMNWKZBQ-UHFFFAOYSA-N 0 2 409.241 3.709 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CCc3c2cccc3F)c(F)c1Cl ZINC000462517413 985467806 /nfs/dbraw/zinc/46/78/06/985467806.db2.gz PEVHLGOEHYRXOW-ZDUSSCGKSA-N 0 2 418.824 3.682 20 0 HHADLN CCSc1nnc(NS(=O)(=O)c2ccc(Br)c(Cl)c2)s1 ZINC000443409657 985565675 /nfs/dbraw/zinc/56/56/75/985565675.db2.gz LHTSMTOWBKNIOS-UHFFFAOYSA-N 0 2 414.759 3.867 20 0 HHADLN O=S(=O)(Nc1cncnc1)c1ccc(Oc2ccc(F)cc2)c(Br)c1 ZINC000443415718 985572438 /nfs/dbraw/zinc/57/24/38/985572438.db2.gz RDXOKLSDPCGEPL-UHFFFAOYSA-N 0 2 424.251 3.971 20 0 HHADLN CC(C)Cc1nnc(NS(=O)(=O)c2ccc(Br)c(Cl)c2)s1 ZINC000443417672 985574330 /nfs/dbraw/zinc/57/43/30/985574330.db2.gz QKCDYMQJCCFNHL-UHFFFAOYSA-N 0 2 410.746 3.953 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)c(F)c1Cl ZINC000462707448 985651317 /nfs/dbraw/zinc/65/13/17/985651317.db2.gz YSZNRKIMMXHUCM-SDDRHHMPSA-N 0 2 406.882 3.824 20 0 HHADLN CC(C)(C)c1ncsc1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443575944 985750869 /nfs/dbraw/zinc/75/08/69/985750869.db2.gz AANIMPMFBZHVLH-UHFFFAOYSA-N 0 2 422.557 3.950 20 0 HHADLN CS[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccccc1 ZINC000443576740 985752061 /nfs/dbraw/zinc/75/20/61/985752061.db2.gz BZYJXUPVGOXEKP-INIZCTEOSA-N 0 2 419.553 3.987 20 0 HHADLN CC[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1c(C)noc1C ZINC000443580813 985756360 /nfs/dbraw/zinc/75/63/60/985756360.db2.gz LEWRUZIEHZYLIU-HNNXBMFYSA-N 0 2 420.516 3.681 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccc(F)c1Cl ZINC000443594210 985769419 /nfs/dbraw/zinc/76/94/19/985769419.db2.gz WSBKZJUJDSIHPS-UHFFFAOYSA-N 0 2 411.867 3.989 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc2cnn(C(C)C)c2c1 ZINC000468363056 986060996 /nfs/dbraw/zinc/06/09/96/986060996.db2.gz SDIJPNZWVZHTJC-UHFFFAOYSA-N 0 2 407.467 3.582 20 0 HHADLN CCC1(CC)Oc2ccc(NS(=O)(=O)c3c(C)oc(C)c3C(=O)OC)cc2O1 ZINC000468367409 986066606 /nfs/dbraw/zinc/06/66/06/986066606.db2.gz IAUUTKVAFCRXQY-UHFFFAOYSA-N 0 2 409.460 3.771 20 0 HHADLN COc1ccc([C@H]2[C@@H](C(=O)Nc3cc(Cl)c(O)c(Cl)c3)CC(=O)N2C)cc1 ZINC000463107151 986067804 /nfs/dbraw/zinc/06/78/04/986067804.db2.gz LIBRSIDLCPNFBA-GUYCJALGSA-N 0 2 409.269 3.866 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2ncon2)cc1 ZINC000468378799 986078493 /nfs/dbraw/zinc/07/84/93/986078493.db2.gz HQAAEUHJQZSHFN-GFCCVEGCSA-N 0 2 423.878 3.605 20 0 HHADLN O=C(CCc1nc(-c2ccco2)no1)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463160409 986132555 /nfs/dbraw/zinc/13/25/55/986132555.db2.gz JKWMLWQXXJEKNE-UHFFFAOYSA-N 0 2 419.228 3.993 20 0 HHADLN Cc1[nH]nc2nc(C)cc(C(=O)Nc3nc(-c4cc(Cl)ccc4Cl)n[nH]3)c12 ZINC000463161256 986133475 /nfs/dbraw/zinc/13/34/75/986133475.db2.gz NKWBXLVLSQTIAB-UHFFFAOYSA-N 0 2 402.245 3.919 20 0 HHADLN Cc1cc(C)cc(C(=O)NCC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c1 ZINC000463168251 986139816 /nfs/dbraw/zinc/13/98/16/986139816.db2.gz HDQZUBBESHSFBC-UHFFFAOYSA-N 0 2 418.284 3.764 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000463172565 986144747 /nfs/dbraw/zinc/14/47/47/986144747.db2.gz RJFGLOSWRQEUQZ-UHFFFAOYSA-N 0 2 418.284 3.867 20 0 HHADLN CCCC(=O)N1CCC(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)CC1 ZINC000463173914 986145898 /nfs/dbraw/zinc/14/58/98/986145898.db2.gz SWUTUKPVHHEPSH-UHFFFAOYSA-N 0 2 410.305 3.756 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C(C)C)cs2)cc1Br ZINC000444046598 986244477 /nfs/dbraw/zinc/24/44/77/986244477.db2.gz BPOWUGFHXOYAJA-UHFFFAOYSA-N 0 2 418.338 3.788 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cccc(OC2CCCC2)c1 ZINC000468541080 986246876 /nfs/dbraw/zinc/24/68/76/986246876.db2.gz JJMBPZITPONWSN-UHFFFAOYSA-N 0 2 409.479 3.973 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c(C(F)F)nc2c1)c1cnc(-c2ccccc2)nc1 ZINC000444050325 986248680 /nfs/dbraw/zinc/24/86/80/986248680.db2.gz ORRLGLXZESANFI-UHFFFAOYSA-N 0 2 401.398 3.758 20 0 HHADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)nc1C ZINC000444052753 986252093 /nfs/dbraw/zinc/25/20/93/986252093.db2.gz SOTVCWXNIZTUBX-UHFFFAOYSA-N 0 2 412.386 3.587 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccco2)o1)c1ccc(Br)cc1Cl ZINC000444066067 986268713 /nfs/dbraw/zinc/26/87/13/986268713.db2.gz UTGMQGQAUQHMDV-UHFFFAOYSA-N 0 2 404.629 3.546 20 0 HHADLN COc1ccc(-c2ncc(C(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)s2)cc1 ZINC000463306966 986274294 /nfs/dbraw/zinc/27/42/94/986274294.db2.gz JIDBNPBKRIASKP-UHFFFAOYSA-N 0 2 412.496 3.801 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nccc(-c3ccco3)n2)cnn1-c1ccc(Cl)cc1 ZINC000463356262 986322604 /nfs/dbraw/zinc/32/26/04/986322604.db2.gz CNALSTKCNRWLAE-UHFFFAOYSA-N 0 2 415.862 3.685 20 0 HHADLN COCn1nc(C)c(S(=O)(=O)Nc2ccc(OCC(C)C)c(Cl)c2)c1C ZINC000463382046 986348986 /nfs/dbraw/zinc/34/89/86/986348986.db2.gz QXQJOSSQRNYPQY-UHFFFAOYSA-N 0 2 401.916 3.593 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(-c3c[nH]nc3C)s2)c2ccccc12 ZINC000444208489 986389330 /nfs/dbraw/zinc/38/93/30/986389330.db2.gz YCGOUMSAOURNAA-UHFFFAOYSA-N 0 2 415.500 3.589 20 0 HHADLN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)s1 ZINC000444210439 986392062 /nfs/dbraw/zinc/39/20/62/986392062.db2.gz FOSXYFSAUMZDRA-UHFFFAOYSA-N 0 2 423.829 3.710 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)=N1 ZINC000468822873 986532173 /nfs/dbraw/zinc/53/21/73/986532173.db2.gz DEWBYWIOHZLGIK-LJQANCHMSA-N 0 2 415.852 3.893 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(CC(C)C)s1 ZINC000468847791 986559350 /nfs/dbraw/zinc/55/93/50/986559350.db2.gz FJLHWAHVWNVUEG-NSHDSACASA-N 0 2 419.956 3.605 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2Oc2cc(F)cc(F)c2)c[nH]1 ZINC000468855863 986565468 /nfs/dbraw/zinc/56/54/68/986565468.db2.gz GOOYAAUMFAWFDH-UHFFFAOYSA-N 0 2 408.382 3.673 20 0 HHADLN C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000444408680 986589557 /nfs/dbraw/zinc/58/95/57/986589557.db2.gz HTFORBFTNWMQCS-YJYMSZOUSA-N 0 2 415.852 3.973 20 0 HHADLN C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000444408675 986589973 /nfs/dbraw/zinc/58/99/73/986589973.db2.gz HTFORBFTNWMQCS-DJJJIMSYSA-N 0 2 415.852 3.973 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(CCC(C)C)n[nH]2)c2ccccc12 ZINC000468913585 986620986 /nfs/dbraw/zinc/62/09/86/986620986.db2.gz KBKDMYMNDGWYKU-UHFFFAOYSA-N 0 2 400.504 3.911 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000468990572 986696344 /nfs/dbraw/zinc/69/63/44/986696344.db2.gz OYNVIZCVHVCNOW-ZDUSSCGKSA-N 0 2 421.906 3.945 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)ccc1F ZINC000469037930 986747767 /nfs/dbraw/zinc/74/77/67/986747767.db2.gz RTHRVSMMUIEPQE-UHFFFAOYSA-N 0 2 417.249 3.523 20 0 HHADLN Cc1cc(NS(=O)(=O)c2c(F)cccc2Cl)ccc1-n1nnnc1C(C)C ZINC000463785596 986775978 /nfs/dbraw/zinc/77/59/78/986775978.db2.gz DVOYAXACEKRGOA-UHFFFAOYSA-N 0 2 409.874 3.687 20 0 HHADLN COc1cc2c(cc1NS(=O)(=O)c1cc(Cl)ccc1Cl)NC(=O)CC2 ZINC000463794843 986786034 /nfs/dbraw/zinc/78/60/34/986786034.db2.gz ULRJPOHTCMNMKP-UHFFFAOYSA-N 0 2 401.271 3.688 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CC[C@@H](OCC(C)C)C2)cc1 ZINC000469299932 987015453 /nfs/dbraw/zinc/01/54/53/987015453.db2.gz JNFSGTNGVRPXMS-QGZVFWFLSA-N 0 2 422.572 3.744 20 0 HHADLN CN(C(=O)N=c1nc(C(C)(C)C)[nH]s1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000444900047 987048333 /nfs/dbraw/zinc/04/83/33/987048333.db2.gz RMTBBAFBMNSNII-QWHCGFSZSA-N 0 2 415.346 3.686 20 0 HHADLN O=C(NCc1n[nH]c(=O)[nH]1)Nc1ccc(Oc2nc3ccccc3s2)c(Cl)c1 ZINC000444975090 987104237 /nfs/dbraw/zinc/10/42/37/987104237.db2.gz OZTCFLHXTNNNQK-UHFFFAOYSA-N 0 2 416.850 3.887 20 0 HHADLN O=S(=O)(c1c(F)cccc1Cl)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000464214031 988330877 /nfs/dbraw/zinc/33/08/77/988330877.db2.gz YKZDIJTYFQHCPB-OAHLLOKOSA-N 0 2 406.870 3.790 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccccc2O[C@@H]2CCOC2)c(Cl)c1Cl ZINC000470437216 988407909 /nfs/dbraw/zinc/40/79/09/988407909.db2.gz HPNQHKJVRRKNNR-LLVKDONJSA-N 0 2 418.298 3.971 20 0 HHADLN CCCOc1cc(F)ccc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000470437167 988408110 /nfs/dbraw/zinc/40/81/10/988408110.db2.gz GWPGXWKXRQQDKY-UHFFFAOYSA-N 0 2 401.843 3.855 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000470444988 988421409 /nfs/dbraw/zinc/42/14/09/988421409.db2.gz IBLIMPAPORPNKV-UHFFFAOYSA-N 0 2 404.419 3.685 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC(F)F)c1cc2c(cc1Cl)OCCO2 ZINC000470448475 988426553 /nfs/dbraw/zinc/42/65/53/988426553.db2.gz QNYPRCVSRZQBBL-UHFFFAOYSA-N 0 2 409.769 3.653 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)=N1 ZINC000470756831 988798182 /nfs/dbraw/zinc/79/81/82/988798182.db2.gz QDWSCIYGGLINIO-ACJLOTCBSA-N 0 2 401.463 3.689 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3c(C)cc(C)nc3OC3CCC3)s[nH]2)c1 ZINC000470884213 988955147 /nfs/dbraw/zinc/95/51/47/988955147.db2.gz VODPEPYLSVGPQB-UHFFFAOYSA-N 0 2 410.499 3.831 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nc2c(ccc(F)c2C)s1 ZINC000464895849 989166277 /nfs/dbraw/zinc/16/62/77/989166277.db2.gz RPQCMWQNISLRND-UHFFFAOYSA-N 0 2 414.867 3.985 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2nc3c(ccc(F)c3C)s2)cn1 ZINC000464911563 989187788 /nfs/dbraw/zinc/18/77/88/989187788.db2.gz LDRGAJXRDDBBFC-UHFFFAOYSA-N 0 2 418.475 3.739 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)c(Cl)cc1F ZINC000471125030 989232145 /nfs/dbraw/zinc/23/21/45/989232145.db2.gz MZEACSSHAJIAPA-UHFFFAOYSA-N 0 2 401.250 3.822 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2cc(-c3cccc(F)c3F)[nH]n2)cc1 ZINC000471136463 989248003 /nfs/dbraw/zinc/24/80/03/989248003.db2.gz KHSACPLZDXTZQM-UHFFFAOYSA-N 0 2 423.441 3.571 20 0 HHADLN COc1c(C)cc(S(=O)(=O)Nc2nnc(Cc3ccc(C)cc3)s2)cc1C ZINC000471507303 989705884 /nfs/dbraw/zinc/70/58/84/989705884.db2.gz KKKHKGSGFWTDOT-UHFFFAOYSA-N 0 2 403.529 3.864 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(C)cc3)s2)cc1Cl ZINC000471510271 989708611 /nfs/dbraw/zinc/70/86/11/989708611.db2.gz JHNQFSQVYYAUTO-UHFFFAOYSA-N 0 2 409.920 3.900 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2cc(OC)ccc2OC)s1)c1ccccc1 ZINC000471513246 989712146 /nfs/dbraw/zinc/71/21/46/989712146.db2.gz SWASTPWWPQEFOX-OAHLLOKOSA-N 0 2 419.528 3.898 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2ccc(C(=O)OC)cc2)s1)c1ccccc1 ZINC000471517323 989716147 /nfs/dbraw/zinc/71/61/47/989716147.db2.gz ZXFLMOQAEXLRAS-INIZCTEOSA-N 0 2 417.512 3.667 20 0 HHADLN Cc1ccc(Br)cc1S(=O)(=O)Nc1nnc(-c2ccco2)s1 ZINC000471518704 989718521 /nfs/dbraw/zinc/71/85/21/989718521.db2.gz UUQSLCSWCDAFSV-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN Cc1cn([C@@H](C)c2ccccc2)nc1NS(=O)(=O)CCOc1ccc(F)cc1 ZINC000471581887 989785632 /nfs/dbraw/zinc/78/56/32/989785632.db2.gz RMCRAEKTHVWEIW-INIZCTEOSA-N 0 2 403.479 3.761 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1cc(-c2ccccc2C)nn1Cc1ccccc1 ZINC000471898864 990069584 /nfs/dbraw/zinc/06/95/84/990069584.db2.gz AJVHOEAKJJFJTR-UHFFFAOYSA-N 0 2 421.526 3.924 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2c3c(nn2C(C)C)CCC3)c2ccccc12 ZINC000471909592 990077570 /nfs/dbraw/zinc/07/75/70/990077570.db2.gz ZMXSRJNSZSGIMT-UHFFFAOYSA-N 0 2 412.515 3.865 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1c[nH]c2cccc(F)c21 ZINC000471913090 990080761 /nfs/dbraw/zinc/08/07/61/990080761.db2.gz YOZUKASHYHYJKI-INIZCTEOSA-N 0 2 400.435 3.836 20 0 HHADLN O=S(=O)(Nc1ccnn1-c1cccc(F)c1)c1ccc(F)c(Br)c1 ZINC000471948195 990112061 /nfs/dbraw/zinc/11/20/61/990112061.db2.gz WMBLIXAOQBWKBG-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)c1 ZINC000471983666 990150252 /nfs/dbraw/zinc/15/02/52/990150252.db2.gz JXIPZKSPCZKZGE-UHFFFAOYSA-N 0 2 410.648 3.757 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(Cl)c(OC)c(Cl)c1 ZINC000466286783 991534419 /nfs/dbraw/zinc/53/44/19/991534419.db2.gz HAQWQNAAIZQCDV-UHFFFAOYSA-N 0 2 408.234 3.729 20 0 HHADLN Cc1cnn(-c2ccc(S(=O)(=O)Nc3ccnn3[C@@H](C)CC(C)C)cc2F)c1 ZINC000466382392 991668739 /nfs/dbraw/zinc/66/87/39/991668739.db2.gz GICURNOGVQQYKF-HNNXBMFYSA-N 0 2 405.499 3.924 20 0 HHADLN COCCc1ccccc1NS(=O)(=O)c1cnn(-c2ccc(Cl)cc2)c1C ZINC000466412909 991704896 /nfs/dbraw/zinc/70/48/96/991704896.db2.gz YEQDBACMIIEEFO-UHFFFAOYSA-N 0 2 405.907 3.824 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3cnn(-c4ccc(C)cc4C)c3)cc2C[C@H]1C ZINC000466415524 991707224 /nfs/dbraw/zinc/70/72/24/991707224.db2.gz FXAVTHLHHVBFPC-MRXNPFEDSA-N 0 2 424.526 3.587 20 0 HHADLN CC(C)c1csc(NS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)n1 ZINC000467013423 992320450 /nfs/dbraw/zinc/32/04/50/992320450.db2.gz JLJVKPAULIGBNB-GFCCVEGCSA-N 0 2 400.497 3.622 20 0 HHADLN CCn1c(=O)oc2cc(S(=O)(=O)Nc3ncc(-c4ccccc4)s3)ccc21 ZINC000467040552 992350639 /nfs/dbraw/zinc/35/06/39/992350639.db2.gz LAGAEKWGSGSGGL-UHFFFAOYSA-N 0 2 401.469 3.539 20 0 HHADLN Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000467143506 992459798 /nfs/dbraw/zinc/45/97/98/992459798.db2.gz YZSWCNGQQSKECW-UHFFFAOYSA-N 0 2 411.487 3.718 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1cccc(Cl)c1-n1cccn1 ZINC000467144411 992459836 /nfs/dbraw/zinc/45/98/36/992459836.db2.gz OQFZQRFEVHFLAU-UHFFFAOYSA-N 0 2 414.878 3.900 20 0 HHADLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 ZINC000467428408 992728027 /nfs/dbraw/zinc/72/80/27/992728027.db2.gz KTDMHKIVGZGEBT-UHFFFAOYSA-N 0 2 423.796 3.955 20 0 HHADLN Cc1ncccc1NS(=O)(=O)c1c(Br)cc(F)cc1Br ZINC000467434963 992733129 /nfs/dbraw/zinc/73/31/29/992733129.db2.gz GLQXWCJAJUJECE-UHFFFAOYSA-N 0 2 424.089 3.855 20 0 HHADLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC000467466383 992759318 /nfs/dbraw/zinc/75/93/18/992759318.db2.gz QNPGTKZVIJMWJN-UHFFFAOYSA-N 0 2 406.364 3.684 20 0 HHADLN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)Nc2cccc(Nc3ccccc3)c2)c1 ZINC000467728670 992980670 /nfs/dbraw/zinc/98/06/70/992980670.db2.gz USNCUGMSQWADKE-UHFFFAOYSA-N 0 2 411.483 3.638 20 0 HHADLN Cc1ccc(NC(=O)C(C)(C)C)cc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000481084360 993923301 /nfs/dbraw/zinc/92/33/01/993923301.db2.gz BRVKPUVIPONWMM-UHFFFAOYSA-N 0 2 412.515 3.966 20 0 HHADLN O=c1[nH]c2ccc(S(=O)(=O)Nc3cnn(-c4ccc(Cl)cc4Cl)c3)cc2[nH]1 ZINC000473440122 994290445 /nfs/dbraw/zinc/29/04/45/994290445.db2.gz GWJDEUDXKZIOFO-UHFFFAOYSA-N 0 2 424.269 3.562 20 0 HHADLN Cc1c(I)cccc1C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000473471022 994314891 /nfs/dbraw/zinc/31/48/91/994314891.db2.gz HKVWRQMMGFTJLT-UHFFFAOYSA-N 0 2 422.201 3.776 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3cnn([C@H](C)C4CC4)c3)cc2c1C ZINC000473493608 994338286 /nfs/dbraw/zinc/33/82/86/994338286.db2.gz VEWWTTPSIKRJAY-CYBMUJFWSA-N 0 2 417.487 3.886 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(-c3ccncc3)ccc2C)cnn1-c1ccccn1 ZINC000481570695 994406551 /nfs/dbraw/zinc/40/65/51/994406551.db2.gz HIVFWRHLURVIGZ-UHFFFAOYSA-N 0 2 405.483 3.747 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cccc(COCc3ccco3)c2)cnn1-c1ccccn1 ZINC000481586211 994429544 /nfs/dbraw/zinc/42/95/44/994429544.db2.gz KZZQKWDAGJPXOU-UHFFFAOYSA-N 0 2 424.482 3.686 20 0 HHADLN COc1ccccc1-c1n[nH]c(NC(=O)c2ccnc(-c3ccc(Cl)cc3)n2)n1 ZINC000481630424 994495884 /nfs/dbraw/zinc/49/58/84/994495884.db2.gz VPHDOIXVMRGVEP-UHFFFAOYSA-N 0 2 406.833 3.843 20 0 HHADLN O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000473745633 994649632 /nfs/dbraw/zinc/64/96/32/994649632.db2.gz PXLTWWXHBPNFCJ-DHIUTWEWSA-N 0 2 412.445 3.709 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2cc3c(cc2C)OCO3)s1)c1ccccc1 ZINC000481818133 994668292 /nfs/dbraw/zinc/66/82/92/994668292.db2.gz SZYJUHHPNZXMGB-CQSZACIVSA-N 0 2 417.512 3.918 20 0 HHADLN COc1cc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)ccc1OC(C)C ZINC000473785262 994708193 /nfs/dbraw/zinc/70/81/93/994708193.db2.gz POKJDBYRTBVSJD-UHFFFAOYSA-N 0 2 411.462 3.501 20 0 HHADLN Cc1cc2c(cc1S(=O)(=O)Nc1nnc(-c3cc4c(s3)CCCC4)o1)OCO2 ZINC000481852489 994709664 /nfs/dbraw/zinc/70/96/64/994709664.db2.gz DNJPGEWFFQZFNG-UHFFFAOYSA-N 0 2 419.484 3.515 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1nc2c(ccc(F)c2F)s1 ZINC000473787272 994711214 /nfs/dbraw/zinc/71/12/14/994711214.db2.gz OHMRXBPNVIVAOM-UHFFFAOYSA-N 0 2 416.413 3.593 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)cc1F ZINC000481859171 994717545 /nfs/dbraw/zinc/71/75/45/994717545.db2.gz KVRSWWDGLMCXJC-UHFFFAOYSA-N 0 2 417.846 3.946 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2nnc(Cc3ccccc3)o2)c1Br ZINC000481869211 994731569 /nfs/dbraw/zinc/73/15/69/994731569.db2.gz QIHRLKADERYMMA-UHFFFAOYSA-N 0 2 408.277 3.532 20 0 HHADLN CCCCc1nnc(NS(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)s1 ZINC000481939695 994815249 /nfs/dbraw/zinc/81/52/49/994815249.db2.gz CCBTVRRSOKNPSV-UHFFFAOYSA-N 0 2 404.517 3.793 20 0 HHADLN CNC(=O)c1cc(Oc2cc(NS(=O)(=O)c3ccc(C)s3)ccc2C)ccn1 ZINC000481955812 994839045 /nfs/dbraw/zinc/83/90/45/994839045.db2.gz ISUAPLNCKQAKCQ-UHFFFAOYSA-N 0 2 417.512 3.713 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H](c1ccco1)c1ccccc1 ZINC000473895292 994850069 /nfs/dbraw/zinc/85/00/69/994850069.db2.gz INGGVUMCRWXIHD-NRFANRHFSA-N 0 2 403.442 3.566 20 0 HHADLN Cc1ccc2cccnc2c1S(=O)(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000481963982 994852164 /nfs/dbraw/zinc/85/21/64/994852164.db2.gz TVYXXBGHMITUEM-UHFFFAOYSA-N 0 2 402.545 3.786 20 0 HHADLN O=C(NCCc1cc(Cl)cc(Cl)c1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473915126 994882138 /nfs/dbraw/zinc/88/21/38/994882138.db2.gz TUBQPRFJQIPNLD-UHFFFAOYSA-N 0 2 420.300 3.732 20 0 HHADLN Cc1[nH]c2c(cc(C)cc2CNC(=O)NCc2nnc(COc3ccccc3)[nH]2)c1C ZINC000473937235 994910362 /nfs/dbraw/zinc/91/03/62/994910362.db2.gz CASOICPFRVXZGJ-UHFFFAOYSA-N 0 2 418.501 3.790 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000473951989 994929674 /nfs/dbraw/zinc/92/96/74/994929674.db2.gz VATJNPONEABFGW-TZIWHRDSSA-N 0 2 419.529 3.984 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NCC1(c2ccccc2Cl)CC1 ZINC000473998346 994986978 /nfs/dbraw/zinc/98/69/78/994986978.db2.gz CKNSHIWEBOICCY-UHFFFAOYSA-N 0 2 411.893 3.568 20 0 HHADLN CCCCO[C@@H]1C[C@H](N(C)C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1(C)C ZINC000474075194 995060598 /nfs/dbraw/zinc/06/05/98/995060598.db2.gz VLXAGCIFPFZQBD-ZWKOTPCHSA-N 0 2 415.538 3.509 20 0 HHADLN CN(Cc1csc2ccccc12)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474075362 995061318 /nfs/dbraw/zinc/06/13/18/995061318.db2.gz OPQCWZULGJGPDF-UHFFFAOYSA-N 0 2 407.499 3.940 20 0 HHADLN C[C@]1(CCc2ccccc2)CCN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1 ZINC000474077265 995062681 /nfs/dbraw/zinc/06/26/81/995062681.db2.gz DTWXYILGPYSYDJ-DEOSSOPVSA-N 0 2 419.529 3.938 20 0 HHADLN CCOc1ccc(CN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C(C)C)cc1 ZINC000474089958 995072464 /nfs/dbraw/zinc/07/24/64/995072464.db2.gz PWIHWCOXPHKQOG-UHFFFAOYSA-N 0 2 423.517 3.903 20 0 HHADLN CCO[C@H]1C[C@H](N(C)C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1(CC)CC ZINC000474089879 995072570 /nfs/dbraw/zinc/07/25/70/995072570.db2.gz PETXIRJLPINOEW-ROUUACIJSA-N 0 2 415.538 3.509 20 0 HHADLN C[C@@]1(Cc2ccccc2)CCCN1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474091858 995074737 /nfs/dbraw/zinc/07/47/37/995074737.db2.gz YQNKXYGGMLCNHU-QHCPKHFHSA-N 0 2 405.502 3.691 20 0 HHADLN CN(CCc1cccc2ccccc21)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474094001 995076285 /nfs/dbraw/zinc/07/62/85/995076285.db2.gz IEOKNOYKNIMPKM-UHFFFAOYSA-N 0 2 415.497 3.921 20 0 HHADLN CC1(c2ccccc2)CCN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)CC1 ZINC000474097717 995078765 /nfs/dbraw/zinc/07/87/65/995078765.db2.gz SRCLNJSQMFJKBZ-UHFFFAOYSA-N 0 2 405.502 3.647 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OCC(F)F)c(Cl)c1 ZINC000474296952 995286851 /nfs/dbraw/zinc/28/68/51/995286851.db2.gz ACTKYFKBYZNLBN-UHFFFAOYSA-N 0 2 405.806 3.571 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@]3(C2)OCc2ccccc23)=N1 ZINC000482469588 995473576 /nfs/dbraw/zinc/47/35/76/995473576.db2.gz SIPHYJOSAPCODE-HSZRJFAPSA-N 0 2 407.445 3.687 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@@]3(C2)OCc2ccccc23)=N1 ZINC000482469589 995473767 /nfs/dbraw/zinc/47/37/67/995473767.db2.gz SIPHYJOSAPCODE-QHCPKHFHSA-N 0 2 407.445 3.687 20 0 HHADLN COc1cccc(C2(C(=O)NCc3nnc(COc4ccccc4)[nH]3)CCCC2)c1 ZINC000474574837 995536302 /nfs/dbraw/zinc/53/63/02/995536302.db2.gz KROIUMOXDISJPM-UHFFFAOYSA-N 0 2 406.486 3.521 20 0 HHADLN Cc1cc(C)c(C(=O)CCCC(=O)NCc2nnc(COc3ccccc3)[nH]2)c(C)c1 ZINC000474576780 995538027 /nfs/dbraw/zinc/53/80/27/995538027.db2.gz NCYWNNVIDMXJHU-UHFFFAOYSA-N 0 2 420.513 3.978 20 0 HHADLN O=C(CCc1ccccc1OC(F)(F)F)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474580904 995541017 /nfs/dbraw/zinc/54/10/17/995541017.db2.gz QNIIFZCXBLCQIB-UHFFFAOYSA-N 0 2 420.391 3.531 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000474585363 995543737 /nfs/dbraw/zinc/54/37/37/995543737.db2.gz LLRDLNQWNXJOBC-SJORKVTESA-N 0 2 416.403 3.822 20 0 HHADLN C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474590440 995549196 /nfs/dbraw/zinc/54/91/96/995549196.db2.gz VJDIGWRTUIJTNL-GFCCVEGCSA-N 0 2 421.284 3.774 20 0 HHADLN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474594725 995553125 /nfs/dbraw/zinc/55/31/25/995553125.db2.gz POXDFVVTRQVNNP-CQSZACIVSA-N 0 2 418.419 3.898 20 0 HHADLN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474594724 995553376 /nfs/dbraw/zinc/55/33/76/995553376.db2.gz POXDFVVTRQVNNP-AWEZNQCLSA-N 0 2 418.419 3.898 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000474659424 995605532 /nfs/dbraw/zinc/60/55/32/995605532.db2.gz JGVJJAFSTIUFAI-AEFFLSMTSA-N 0 2 409.465 3.658 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000474659425 995605597 /nfs/dbraw/zinc/60/55/97/995605597.db2.gz JGVJJAFSTIUFAI-FUHWJXTLSA-N 0 2 409.465 3.658 20 0 HHADLN COC(=O)c1cc(Br)ccc1NS(=O)(=O)c1cc(C)sc1C ZINC000483605840 996281969 /nfs/dbraw/zinc/28/19/69/996281969.db2.gz IWYXYJVNXRWJBU-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc(-n2cccn2)c1 ZINC000475836663 996405186 /nfs/dbraw/zinc/40/51/86/996405186.db2.gz UQQGTCHYPPYCAJ-UHFFFAOYSA-N 0 2 415.368 3.840 20 0 HHADLN Cc1nc2cc(F)c(F)cc2n1CC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000475931570 996480310 /nfs/dbraw/zinc/48/03/10/996480310.db2.gz STIBSABVKJNZIX-UHFFFAOYSA-N 0 2 419.844 3.855 20 0 HHADLN O=S(=O)(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cccc2ncccc21 ZINC000484187769 996624828 /nfs/dbraw/zinc/62/48/28/996624828.db2.gz HNJRXHJJODGSNP-UHFFFAOYSA-N 0 2 401.451 3.974 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 ZINC000484488657 996811240 /nfs/dbraw/zinc/81/12/40/996811240.db2.gz LNNISSSSTGJVPM-UHFFFAOYSA-N 0 2 417.462 3.606 20 0 HHADLN Cc1cc([C@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)o1 ZINC000476413316 996875191 /nfs/dbraw/zinc/87/51/91/996875191.db2.gz UOPTWNIUBHUJOH-LBPRGKRZSA-N 0 2 405.501 3.645 20 0 HHADLN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476423511 996890160 /nfs/dbraw/zinc/89/01/60/996890160.db2.gz BQPMNNVSVKSIKB-FRFSOERESA-N 0 2 405.545 3.737 20 0 HHADLN COCCOc1ccc(Br)cc1S(=O)(=O)Nc1cscc1C ZINC000484564138 996897201 /nfs/dbraw/zinc/89/72/01/996897201.db2.gz FXTBWYHSYSWBOL-UHFFFAOYSA-N 0 2 406.323 3.645 20 0 HHADLN CCOC(=O)c1nc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)oc1C ZINC000476429531 996899492 /nfs/dbraw/zinc/89/94/92/996899492.db2.gz MCFGVNWXEMZYLJ-UHFFFAOYSA-N 0 2 412.773 3.633 20 0 HHADLN Cc1cccc([C@H](C)CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000476521868 997009961 /nfs/dbraw/zinc/00/99/61/997009961.db2.gz AYPOGUDTNGKETJ-OAHLLOKOSA-N 0 2 415.540 3.786 20 0 HHADLN C[C@H]1CCC[C@@H](CCNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000476533600 997022875 /nfs/dbraw/zinc/02/28/75/997022875.db2.gz KTHOQKSBQGGAJU-GJZGRUSLSA-N 0 2 407.561 3.890 20 0 HHADLN O=C(NC1(c2ccccc2F)CC1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476554633 997047401 /nfs/dbraw/zinc/04/74/01/997047401.db2.gz WPSNNJIMFRYKJD-UHFFFAOYSA-N 0 2 417.487 3.502 20 0 HHADLN CCc1nc(C2CC[NH+]([C@H](C(=O)Nc3ccc(OC)cc3)c3ccccc3)CC2)n[nH]1 ZINC000484716951 997056797 /nfs/dbraw/zinc/05/67/97/997056797.db2.gz RVIYOXRQRWRPKI-QFIPXVFZSA-N 0 2 419.529 3.935 20 0 HHADLN Cc1cccc(C(C)(C)NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000476724950 997272704 /nfs/dbraw/zinc/27/27/04/997272704.db2.gz XZMYBOOSILDBFU-UHFFFAOYSA-N 0 2 415.540 3.917 20 0 HHADLN CCOCc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000476745167 997298189 /nfs/dbraw/zinc/29/81/89/997298189.db2.gz LNZWUDXDGNUHOY-UHFFFAOYSA-N 0 2 417.512 3.733 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCC[C@@H]1c1ccsc1 ZINC000476768741 997325631 /nfs/dbraw/zinc/32/56/31/997325631.db2.gz XEPGITWGBHQFDH-MRXNPFEDSA-N 0 2 419.553 3.983 20 0 HHADLN CCC1CCC(CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 ZINC000476770399 997327846 /nfs/dbraw/zinc/32/78/46/997327846.db2.gz SOLINJCVMAIPCT-UHFFFAOYSA-N 0 2 407.561 3.890 20 0 HHADLN O=C(NCc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485011220 997376532 /nfs/dbraw/zinc/37/65/32/997376532.db2.gz JAMIWIILCVEREP-UHFFFAOYSA-N 0 2 422.919 3.919 20 0 HHADLN CC(C)Oc1ccc(NS(=O)(=O)c2cc(Br)c(F)cc2F)cn1 ZINC000485025653 997389793 /nfs/dbraw/zinc/38/97/93/997389793.db2.gz PUVQICMFMHLBKT-UHFFFAOYSA-N 0 2 407.236 3.710 20 0 HHADLN Cc1cc(CNC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)ccc1F ZINC000485029321 997394004 /nfs/dbraw/zinc/39/40/04/997394004.db2.gz DYSBDGFPPLAVIW-UHFFFAOYSA-N 0 2 420.491 3.713 20 0 HHADLN COCCOc1ccc(F)cc1NS(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000485099344 997475331 /nfs/dbraw/zinc/47/53/31/997475331.db2.gz BLNLYJDDXSVWLV-UHFFFAOYSA-N 0 2 411.348 3.810 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1cc(F)ccc1OCC1CC1 ZINC000485270385 997665672 /nfs/dbraw/zinc/66/56/72/997665672.db2.gz FHJXPMWOEFUJLK-UHFFFAOYSA-N 0 2 402.451 3.989 20 0 HHADLN C[C@H](C1CC1)N(C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1CC1 ZINC000485369448 997795448 /nfs/dbraw/zinc/79/54/48/997795448.db2.gz GGSIJEUMFRZOHX-GFCCVEGCSA-N 0 2 406.533 3.739 20 0 HHADLN CCOc1cc2c(cc1NS(=O)(=O)c1ccc(Cl)cc1Cl)OCCO2 ZINC000485389210 997817672 /nfs/dbraw/zinc/81/76/72/997817672.db2.gz KDMUUGHKYLEUGK-UHFFFAOYSA-N 0 2 404.271 3.964 20 0 HHADLN COc1ccc(Cl)cc1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485488108 997940712 /nfs/dbraw/zinc/94/07/12/997940712.db2.gz GWBSVJHAMKJVTP-UHFFFAOYSA-N 0 2 423.903 3.858 20 0 HHADLN CCOc1ccc(CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1 ZINC000485493716 997947665 /nfs/dbraw/zinc/94/76/65/997947665.db2.gz RBQWRDUDSKJPSK-UHFFFAOYSA-N 0 2 417.512 3.524 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(C3CCCCC3)nn2C)c1 ZINC000477378417 998065685 /nfs/dbraw/zinc/06/56/85/998065685.db2.gz YLTJSMNJXJLZAO-UHFFFAOYSA-N 0 2 411.911 3.709 20 0 HHADLN O=S(=O)(Nc1ccc2c(c1)S(=O)(=O)CC2)c1c(Cl)ccc2ccccc21 ZINC000477406571 998091626 /nfs/dbraw/zinc/09/16/26/998091626.db2.gz PBYKJYABQITTFW-UHFFFAOYSA-N 0 2 407.900 3.624 20 0 HHADLN COCCCC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000477541020 998259966 /nfs/dbraw/zinc/25/99/66/998259966.db2.gz KGHFVRMDFPRYOK-UHFFFAOYSA-N 0 2 400.859 3.645 20 0 HHADLN COC(=O)c1c(C)c(NS(=O)(=O)c2cc(F)ccc2F)ccc1Br ZINC000486079793 998526876 /nfs/dbraw/zinc/52/68/76/998526876.db2.gz PYXXUSZKGLDQBI-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN COc1nc(C)c(Br)cc1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000486485931 998790326 /nfs/dbraw/zinc/79/03/26/998790326.db2.gz KTCGAQBFBXGGGD-UHFFFAOYSA-N 0 2 422.670 3.852 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1cccc2ncccc21 ZINC000486528438 998809077 /nfs/dbraw/zinc/80/90/77/998809077.db2.gz OJNBGYZAHKYEIM-UHFFFAOYSA-N 0 2 420.281 3.923 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cnn(-c3ncc(Cl)cc3Cl)c2)cc1F ZINC000486543356 998816536 /nfs/dbraw/zinc/81/65/36/998816536.db2.gz WVUHERKEGXFEBU-UHFFFAOYSA-N 0 2 401.250 3.822 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)n(-c2cc(C)ccn2)n1 ZINC000486564191 998828286 /nfs/dbraw/zinc/82/82/86/998828286.db2.gz SXABIFWHQTVRJA-UHFFFAOYSA-N 0 2 414.384 3.843 20 0 HHADLN COc1ccc(C)cc1-n1ccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)n1 ZINC000478316436 998883593 /nfs/dbraw/zinc/88/35/93/998883593.db2.gz RJNUDQGYBABTED-UHFFFAOYSA-N 0 2 410.384 3.505 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1nc2ccc(Cl)cc2s1 ZINC000486737891 998915941 /nfs/dbraw/zinc/91/59/41/998915941.db2.gz VNEIKQYWOCAMDC-UHFFFAOYSA-N 0 2 400.865 3.693 20 0 HHADLN Cc1cccc(NC(=O)CN(C)C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)c1C ZINC000478447071 998964097 /nfs/dbraw/zinc/96/40/97/998964097.db2.gz QMPCEBQKPBGVFK-UHFFFAOYSA-N 0 2 412.877 3.559 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000486897774 998996591 /nfs/dbraw/zinc/99/65/91/998996591.db2.gz SUXDVPIYIYSHGG-UHFFFAOYSA-N 0 2 409.920 3.730 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccccc2Oc2ccncc2)c1 ZINC000486899586 998997447 /nfs/dbraw/zinc/99/74/47/998997447.db2.gz WXCSNKRVHFIMOS-UHFFFAOYSA-N 0 2 416.430 3.991 20 0 HHADLN CNC(=O)COc1ccc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)c(C)c1 ZINC000478670104 999080000 /nfs/dbraw/zinc/08/00/00/999080000.db2.gz AWKBKWIXBCHAAD-UHFFFAOYSA-N 0 2 417.314 3.536 20 0 HHADLN CC(C)Oc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1C(N)=O ZINC000478672223 999081021 /nfs/dbraw/zinc/08/10/21/999081021.db2.gz CECMBLMDXHUDFN-UHFFFAOYSA-N 0 2 420.384 3.531 20 0 HHADLN O=C(CCOc1ccc2ccccc2c1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000487189890 999092117 /nfs/dbraw/zinc/09/21/17/999092117.db2.gz QILJNZFXMQHDJU-UHFFFAOYSA-N 0 2 402.454 3.622 20 0 HHADLN CC[C@@H](C)c1nnc([C@@H](C)NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)[nH]1 ZINC000487196023 999093620 /nfs/dbraw/zinc/09/36/20/999093620.db2.gz GXFYVUZDOZTCQA-NXEZZACHSA-N 0 2 405.915 3.795 20 0 HHADLN CC(C)Oc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1C(N)=O ZINC000478699060 999095002 /nfs/dbraw/zinc/09/50/02/999095002.db2.gz QYYMJZFQJMCPCT-UHFFFAOYSA-N 0 2 420.384 3.531 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2cc3c(cc2SC)OCCO3)c1 ZINC000487364923 999148329 /nfs/dbraw/zinc/14/83/29/999148329.db2.gz ZORNACWTHKBZFW-UHFFFAOYSA-N 0 2 401.893 3.643 20 0 HHADLN COc1cccc([C@H]2CN(C(=O)C3=NN(c4cccc(C(C)C)c4)CC3=O)CCO2)c1 ZINC000479041861 999262506 /nfs/dbraw/zinc/26/25/06/999262506.db2.gz QXYFXDIFLYNBMW-JOCHJYFZSA-N 0 2 421.497 3.924 20 0 HHADLN Cc1cc(NS(=O)(=O)c2c(C)cccc2F)n(-c2ccc(C(F)(F)F)cn2)n1 ZINC000479059464 999273140 /nfs/dbraw/zinc/27/31/40/999273140.db2.gz LPEBGNZFINJPTP-UHFFFAOYSA-N 0 2 414.384 3.843 20 0 HHADLN Cc1nc(CC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c(C)s1 ZINC000487759970 999279919 /nfs/dbraw/zinc/27/99/19/999279919.db2.gz ZGTHOMLBFITCNX-UHFFFAOYSA-N 0 2 410.272 3.628 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(-c2ccco2)nn1-c1ccc(C)cc1 ZINC000479075866 999282362 /nfs/dbraw/zinc/28/23/62/999282362.db2.gz CTNNPYZEDKFAHI-UHFFFAOYSA-N 0 2 411.487 3.592 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(N(C)C)cc1C(F)(F)F ZINC000479082975 999285405 /nfs/dbraw/zinc/28/54/05/999285405.db2.gz XVUUGBOTUVSHIZ-UHFFFAOYSA-N 0 2 404.410 3.589 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 ZINC000479159946 999302655 /nfs/dbraw/zinc/30/26/55/999302655.db2.gz PIMYYAAVYOFCGV-UHFFFAOYSA-N 0 2 419.528 3.682 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2Cc2cccc(C)c2)cc1Cl ZINC000479254756 999349276 /nfs/dbraw/zinc/34/92/76/999349276.db2.gz NMHWZOFQCAXKGZ-UHFFFAOYSA-N 0 2 418.906 3.652 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccnc(-c2ccccc2)c1 ZINC000479316856 999381773 /nfs/dbraw/zinc/38/17/73/999381773.db2.gz YGQFNGRKTPRXQG-UHFFFAOYSA-N 0 2 402.859 3.989 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 ZINC000479481959 999436620 /nfs/dbraw/zinc/43/66/20/999436620.db2.gz UQJVKXOECMBVAX-UHFFFAOYSA-N 0 2 407.442 3.695 20 0 HHADLN O=S(=O)(Nc1ccccc1N1CCc2ccccc21)c1cnn(CC(F)(F)F)c1 ZINC000479482054 999436701 /nfs/dbraw/zinc/43/67/01/999436701.db2.gz VBSZDPXOCXLDNX-UHFFFAOYSA-N 0 2 422.432 3.940 20 0 HHADLN O=S(=O)(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccc2ncsc2c1 ZINC000479481351 999436791 /nfs/dbraw/zinc/43/67/91/999436791.db2.gz GVOFMZCXVHFLGN-ZDUSSCGKSA-N 0 2 408.476 3.794 20 0 HHADLN O=S(=O)(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1ccc2ncsc2c1 ZINC000479485942 999439438 /nfs/dbraw/zinc/43/94/38/999439438.db2.gz BTLSMGDKGOHTRP-MRXNPFEDSA-N 0 2 400.485 3.825 20 0 HHADLN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000479501845 999446716 /nfs/dbraw/zinc/44/67/16/999446716.db2.gz RWVUMUXNNLEQOC-UHFFFAOYSA-N 0 2 412.870 3.525 20 0 HHADLN Cc1c(C[S@](C)=O)cccc1NS(=O)(=O)c1ccc(Br)cc1F ZINC000479516315 999455050 /nfs/dbraw/zinc/45/50/50/999455050.db2.gz MQRRSQYEBSNYGR-QFIPXVFZSA-N 0 2 420.325 3.576 20 0 HHADLN Cc1cccc(F)c1S(=O)(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 ZINC000479522012 999458453 /nfs/dbraw/zinc/45/84/53/999458453.db2.gz AXIIJXILIGWJOO-UHFFFAOYSA-N 0 2 400.479 3.920 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1OC[C@H]1CCOC1)c1cc(F)c(F)c(F)c1 ZINC000488384395 999468342 /nfs/dbraw/zinc/46/83/42/999468342.db2.gz AAMMWIPZYHALTD-JTQLQIEISA-N 0 2 421.824 3.973 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1cc(F)c(Br)cc1C ZINC000479546112 999470970 /nfs/dbraw/zinc/47/09/70/999470970.db2.gz PTODVZVQIUHBRG-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C ZINC000479563309 999479007 /nfs/dbraw/zinc/47/90/07/999479007.db2.gz BKJHEKKEBLJWIX-UHFFFAOYSA-N 0 2 415.471 3.740 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccc(Cl)cc2)c1)c1cnn(-c2ccccc2F)c1 ZINC000479570990 999483372 /nfs/dbraw/zinc/48/33/72/999483372.db2.gz QNNOKPUTENSKTN-UHFFFAOYSA-N 0 2 417.853 3.651 20 0 HHADLN Cc1cccn2cc(-c3ccc(NS(=O)(=O)c4cnn(CC(F)F)c4)cc3)nc12 ZINC000488562010 999528415 /nfs/dbraw/zinc/52/84/15/999528415.db2.gz MYUJALYEXMLROG-UHFFFAOYSA-N 0 2 417.441 3.572 20 0 HHADLN CCOC(=O)c1csc(NS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)n1 ZINC000488573084 999532028 /nfs/dbraw/zinc/53/20/28/999532028.db2.gz MECVDZNBWWKMIU-UHFFFAOYSA-N 0 2 414.814 3.793 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1N1CCCCC1)c1cnn(CC(F)F)c1 ZINC000488573567 999532223 /nfs/dbraw/zinc/53/22/23/999532223.db2.gz OUGQKKXARAYPEF-UHFFFAOYSA-N 0 2 404.870 3.593 20 0 HHADLN Cc1ccc(Nc2cccc(C(=O)Nc3nc(-c4c(F)cccc4F)n[nH]3)c2)nn1 ZINC000479756019 999574249 /nfs/dbraw/zinc/57/42/49/999574249.db2.gz OLWHWFBNURWESM-UHFFFAOYSA-N 0 2 407.384 3.844 20 0 HHADLN CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1 ZINC000479761917 999577889 /nfs/dbraw/zinc/57/78/89/999577889.db2.gz DREYHYLONIOPFA-JTQLQIEISA-N 0 2 417.441 3.828 20 0 HHADLN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)S(=O)(=O)Cc2cccc(C(F)F)c2)c1C ZINC000479836354 999618588 /nfs/dbraw/zinc/61/85/88/999618588.db2.gz IZHPZLAKADSUQD-GFCCVEGCSA-N 0 2 413.442 3.542 20 0 HHADLN COCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(C(C)(C)C)s3)ccc21 ZINC000488972581 999661229 /nfs/dbraw/zinc/66/12/29/999661229.db2.gz FKNSBIKQQIQEPF-UHFFFAOYSA-N 0 2 422.572 3.772 20 0 HHADLN CO[C@H]1CCC[C@@H](CC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)C1 ZINC000479968402 999668080 /nfs/dbraw/zinc/66/80/80/999668080.db2.gz VHVDFBGPIGVQNI-PWSUYJOCSA-N 0 2 411.275 3.907 20 0 HHADLN Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000479984601 999674410 /nfs/dbraw/zinc/67/44/10/999674410.db2.gz JCNJTKIDAUZFAP-UHFFFAOYSA-N 0 2 400.357 3.534 20 0 HHADLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1ccccc1Nc1cccc(C(F)(F)F)c1 ZINC000480045462 999699605 /nfs/dbraw/zinc/69/96/05/999699605.db2.gz XDCLIVCSTCRVSE-UHFFFAOYSA-N 0 2 405.380 3.635 20 0 HHADLN COc1ccccc1O[C@H]1CCCN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)C1 ZINC000480076371 999710638 /nfs/dbraw/zinc/71/06/38/999710638.db2.gz HDPFSAKXSNNLKH-AWEZNQCLSA-N 0 2 416.528 3.772 20 0 HHADLN Cc1noc([C@H]2CCCCN2C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)n1 ZINC000480181532 999738452 /nfs/dbraw/zinc/73/84/52/999738452.db2.gz SEIFQRWXKKQZFR-CYBMUJFWSA-N 0 2 404.883 3.731 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(C(=O)OC)cc2C)cnn1-c1cccc(C)c1 ZINC000480192614 999741047 /nfs/dbraw/zinc/74/10/47/999741047.db2.gz FIESVBBDADHOFU-UHFFFAOYSA-N 0 2 413.499 3.639 20 0 HHADLN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2OC)cc1 ZINC000480210067 999746390 /nfs/dbraw/zinc/74/63/90/999746390.db2.gz POFNBXMGOJFAQJ-UHFFFAOYSA-N 0 2 424.327 3.596 20 0 HHADLN CCc1c(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cnn1-c1ccccc1C ZINC000480220919 999748998 /nfs/dbraw/zinc/74/89/98/999748998.db2.gz HWKDSTAORUBKPP-UHFFFAOYSA-N 0 2 407.499 3.730 20 0 HHADLN Cc1ccc(-n2ncc(NS(=O)(=O)c3ccc(C)c(C(N)=O)c3)c2C(C)C)cc1 ZINC000480223548 999749395 /nfs/dbraw/zinc/74/93/95/999749395.db2.gz DDVXMBXXPKADMN-UHFFFAOYSA-N 0 2 412.515 3.512 20 0 HHADLN O=S(=O)(Nc1ccc(Cc2nnc3n2CCC3)cc1)c1c(Cl)cccc1Cl ZINC000480230669 999751564 /nfs/dbraw/zinc/75/15/64/999751564.db2.gz XGUKBQUZOAAWSS-UHFFFAOYSA-N 0 2 423.325 3.923 20 0 HHADLN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2F)cc1Cl ZINC000480231959 999751818 /nfs/dbraw/zinc/75/18/18/999751818.db2.gz WSOGOOAHBPEPHG-UHFFFAOYSA-N 0 2 414.886 3.771 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2cnn(-c3ccccc3OC)c2)c1C(C)C ZINC000480234174 999752577 /nfs/dbraw/zinc/75/25/77/999752577.db2.gz WHHYCKRLQKJDTH-UHFFFAOYSA-N 0 2 417.535 3.802 20 0 HHADLN Cc1nn(C)c2ncc(S(=O)(=O)Nc3nc4c(s3)C[C@H](C(C)(C)C)CC4)cc12 ZINC000480234441 999752660 /nfs/dbraw/zinc/75/26/60/999752660.db2.gz RVUCIWXGANYAAY-GFCCVEGCSA-N 0 2 419.576 3.685 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c1C(C)C ZINC000480234769 999752671 /nfs/dbraw/zinc/75/26/71/999752671.db2.gz WGHUUICKPZJUAE-UHFFFAOYSA-N 0 2 420.457 3.944 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cnn1-c1ccccc1C ZINC000480244403 999754826 /nfs/dbraw/zinc/75/48/26/999754826.db2.gz GSGYGXVBFFVTIC-UHFFFAOYSA-N 0 2 424.526 3.819 20 0 HHADLN CCc1c(NS(=O)(=O)c2cccc(C(=O)OC)c2)cnn1-c1cccc(Cl)c1 ZINC000480243836 999755008 /nfs/dbraw/zinc/75/50/08/999755008.db2.gz FPTRQYAYZMSALA-UHFFFAOYSA-N 0 2 419.890 3.676 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C[C@H](C)c2ccccc2)[C@@H](C)CO)=N1 ZINC000489498191 999778742 /nfs/dbraw/zinc/77/87/42/999778742.db2.gz PZJCQNVQCIVNED-IRXDYDNUSA-N 0 2 411.477 3.652 20 0 HHADLN CCc1ccc([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)cc1 ZINC000490012944 999877495 /nfs/dbraw/zinc/87/74/95/999877495.db2.gz KJUFTKAVAJDEPY-CYBMUJFWSA-N 0 2 416.528 3.644 20 0 HHADLN CC(C)[C@H]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)CC1 ZINC000490090347 999891636 /nfs/dbraw/zinc/89/16/36/999891636.db2.gz UHOBCEZHNADNJJ-HDJSIYSDSA-N 0 2 408.549 3.740 20 0 HHADLN Cc1cc(F)ccc1C1CCN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)CC1 ZINC000490257024 999923245 /nfs/dbraw/zinc/92/32/45/999923245.db2.gz WZRJUGQEYAEYEX-UHFFFAOYSA-N 0 2 423.492 3.920 20 0 HHADLN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 ZINC000491558924 1000083561 /nfs/dbraw/zinc/08/35/61/1000083561.db2.gz HUJMNMYIRXKQBA-UONOGXRCSA-N 0 2 424.592 3.569 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2cccc(N(C)C)c2)s1)c1ccccc1 ZINC000493050684 1000155582 /nfs/dbraw/zinc/15/55/82/1000155582.db2.gz JUTCOKGKXJYUCP-QGZVFWFLSA-N 0 2 402.545 3.947 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000504608860 1000291066 /nfs/dbraw/zinc/29/10/66/1000291066.db2.gz UWOJZTFIUSEHNS-CYBMUJFWSA-N 0 2 414.560 3.633 20 0 HHADLN COc1ccc2c(c1)CCN(C(=O)C1=NN(c3cccc(C(C)C)c3)CC1=O)CC2 ZINC000504850097 1000402682 /nfs/dbraw/zinc/40/26/82/1000402682.db2.gz BGAVTDMRAIFKNB-UHFFFAOYSA-N 0 2 405.498 3.951 20 0 HHADLN CCc1cc(=NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)c2ccccc2[nH]1 ZINC000494404376 1000475925 /nfs/dbraw/zinc/47/59/25/1000475925.db2.gz PLBFNXDXWLCNJW-UHFFFAOYSA-N 0 2 421.881 3.771 20 0 HHADLN CCc1cc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)c2ccccc2n1 ZINC000494404376 1000475940 /nfs/dbraw/zinc/47/59/40/1000475940.db2.gz PLBFNXDXWLCNJW-UHFFFAOYSA-N 0 2 421.881 3.771 20 0 HHADLN COC(=O)CCSCc1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1 ZINC000504978975 1000484654 /nfs/dbraw/zinc/48/46/54/1000484654.db2.gz KIMIDVYIQBGACX-UHFFFAOYSA-N 0 2 401.456 3.562 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2cccc3oc(C(F)(F)F)nc32)cc1 ZINC000494468337 1000508515 /nfs/dbraw/zinc/50/85/15/1000508515.db2.gz BMSFCRIGDHRHEC-UHFFFAOYSA-N 0 2 414.361 3.824 20 0 HHADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCC(N2CCc3ccccc32)CC1 ZINC000505150135 1000579568 /nfs/dbraw/zinc/57/95/68/1000579568.db2.gz CGIGBXIYYMQPMS-UHFFFAOYSA-N 0 2 422.916 3.899 20 0 HHADLN CC(=O)N1CCC(C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)CC1 ZINC000505263836 1000655213 /nfs/dbraw/zinc/65/52/13/1000655213.db2.gz HQERCELQFDZXDP-UHFFFAOYSA-N 0 2 422.510 3.616 20 0 HHADLN O=S(=O)(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1cc(F)cc(F)c1 ZINC000505287440 1000672558 /nfs/dbraw/zinc/67/25/58/1000672558.db2.gz LHTBEONGYHSEIR-UHFFFAOYSA-N 0 2 403.332 3.970 20 0 HHADLN Cc1ccc([C@H](NC(=O)CSc2nc(=O)cc(O)n2C2CCCC2)C2CC2)cc1 ZINC000497424869 1001357006 /nfs/dbraw/zinc/35/70/06/1001357006.db2.gz AHXNGUUXVXAWTP-NRFANRHFSA-N 0 2 413.543 3.732 20 0 HHADLN COc1ccc2c(c1OC)CCN(C(=O)C1=NN(c3cccc(C(C)C)c3)CC1=O)C2 ZINC000497530960 1001422963 /nfs/dbraw/zinc/42/29/63/1001422963.db2.gz CCDZJJALYSEYGD-UHFFFAOYSA-N 0 2 421.497 3.917 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2ccnn2Cc2sccc2C)ccc1C ZINC000506659007 1001485677 /nfs/dbraw/zinc/48/56/77/1001485677.db2.gz AQCFCBOERRYQKN-UHFFFAOYSA-N 0 2 419.528 3.587 20 0 HHADLN O=S(=O)(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cncc(Br)c1 ZINC000506690895 1001495177 /nfs/dbraw/zinc/49/51/77/1001495177.db2.gz SGBYELPJSPVHCQ-UHFFFAOYSA-N 0 2 424.251 3.971 20 0 HHADLN NC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2csc3ccccc32)c1 ZINC000506821682 1001549199 /nfs/dbraw/zinc/54/91/99/1001549199.db2.gz QIUSAPNMDUTAOU-UHFFFAOYSA-N 0 2 415.540 3.791 20 0 HHADLN CCc1cccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000506832518 1001555555 /nfs/dbraw/zinc/55/55/55/1001555555.db2.gz NRQZUKSOCVHDEU-UHFFFAOYSA-N 0 2 401.513 3.688 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)nc1C ZINC000506848082 1001563091 /nfs/dbraw/zinc/56/30/91/1001563091.db2.gz FOAZDWZAKGPAIU-UHFFFAOYSA-N 0 2 414.814 3.711 20 0 HHADLN CC[C@@](C)(NC(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1)c1nc(C)cs1 ZINC000498209895 1001694568 /nfs/dbraw/zinc/69/45/68/1001694568.db2.gz LDXGDMLQZURPIP-GOSISDBHSA-N 0 2 403.533 3.847 20 0 HHADLN COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000507013819 1001764574 /nfs/dbraw/zinc/76/45/74/1001764574.db2.gz ROUAZQWJBOCBIO-UHFFFAOYSA-N 0 2 417.874 3.797 20 0 HHADLN O=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1)N1CCc2ccccc21 ZINC000498408096 1001835786 /nfs/dbraw/zinc/83/57/86/1001835786.db2.gz JEBWEGDNPBFOQZ-UHFFFAOYSA-N 0 2 414.433 3.969 20 0 HHADLN CC[C@@H]1C[C@]1(NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1cccc(C)c1 ZINC000507360510 1002023283 /nfs/dbraw/zinc/02/32/83/1002023283.db2.gz NLDZTIKDGIOUOW-UZUQRXQVSA-N 0 2 405.502 3.817 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(Cl)cc2OC(F)F)c1 ZINC000507888133 1002420444 /nfs/dbraw/zinc/42/04/44/1002420444.db2.gz LNNJVRAFDQWKIR-UHFFFAOYSA-N 0 2 407.822 3.897 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccsc2)cnn1-c1cc(F)c(OC)cc1F ZINC000507916485 1002450132 /nfs/dbraw/zinc/45/01/32/1002450132.db2.gz ATXCTVWCFNVTTK-UHFFFAOYSA-N 0 2 413.471 3.974 20 0 HHADLN O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccc2nn[nH]c2c1 ZINC000507997708 1002526166 /nfs/dbraw/zinc/52/61/66/1002526166.db2.gz DYKYBPWFJWPAOY-UHFFFAOYSA-N 0 2 417.454 3.529 20 0 HHADLN CCCC(=O)Nc1cccc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)c1C ZINC000499157023 1002540879 /nfs/dbraw/zinc/54/08/79/1002540879.db2.gz RWIFFQZEUJDVIF-UHFFFAOYSA-N 0 2 421.910 3.539 20 0 HHADLN O=C(Nc1ccccn1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000508031548 1002554123 /nfs/dbraw/zinc/55/41/23/1002554123.db2.gz HEJXNEDREKWWKJ-UHFFFAOYSA-N 0 2 405.838 3.927 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)CSCC2)c1ccc(F)cc1Br ZINC000508081133 1002601924 /nfs/dbraw/zinc/60/19/24/1002601924.db2.gz BNRQXRSYWCKILF-UHFFFAOYSA-N 0 2 409.327 3.635 20 0 HHADLN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1cccc(OC(F)(F)F)c1 ZINC000508101572 1002626164 /nfs/dbraw/zinc/62/61/64/1002626164.db2.gz JQWWAMMHIGRMFI-UHFFFAOYSA-N 0 2 408.423 3.737 20 0 HHADLN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1ccc(C(F)(F)F)c(F)c1 ZINC000508110162 1002636866 /nfs/dbraw/zinc/63/68/66/1002636866.db2.gz OQFZLYXKXKPDBC-UHFFFAOYSA-N 0 2 410.414 3.996 20 0 HHADLN CCOC(=O)c1cccc(S(=O)(=O)Nc2cc(-c3ccc(F)cc3)nc(C)n2)c1 ZINC000508143222 1002677289 /nfs/dbraw/zinc/67/72/89/1002677289.db2.gz NXRVLMPOLKFDHR-UHFFFAOYSA-N 0 2 415.446 3.569 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)c1C1CC1 ZINC000499274283 1002680913 /nfs/dbraw/zinc/68/09/13/1002680913.db2.gz QLQKOEQLWRNJPF-SNVBAGLBSA-N 0 2 408.915 3.537 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3csc4ccccc43)o2)c1 ZINC000508225098 1002754469 /nfs/dbraw/zinc/75/44/69/1002754469.db2.gz TVRWJEFQSNRLKY-UHFFFAOYSA-N 0 2 401.469 3.685 20 0 HHADLN O=C(Nc1nnc(Cc2cccc(Cl)c2)s1)c1nc[nH]c1C(=O)c1ccccc1 ZINC000499361761 1002759370 /nfs/dbraw/zinc/75/93/70/1002759370.db2.gz SGDLDYFBYSNLRA-UHFFFAOYSA-N 0 2 423.885 3.989 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000508323467 1002828948 /nfs/dbraw/zinc/82/89/48/1002828948.db2.gz VTBFFLABWDARIG-UHFFFAOYSA-N 0 2 421.471 3.915 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000499616774 1002986223 /nfs/dbraw/zinc/98/62/23/1002986223.db2.gz JTEOJGWCICINKB-UHFFFAOYSA-N 0 2 405.433 3.613 20 0 HHADLN COc1ccc([C@@H]2CCCN2C(=O)C2=NN(c3ccc(F)cc3)CC2=O)c(OC)c1 ZINC000499724814 1003071954 /nfs/dbraw/zinc/07/19/54/1003071954.db2.gz UFYQMOUQSKOCJH-SFHVURJKSA-N 0 2 411.433 3.712 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](C)c3cccc(OC(F)F)c3)=N2)cc1 ZINC000499743568 1003088977 /nfs/dbraw/zinc/08/89/77/1003088977.db2.gz PVCQOUVKWQDHIJ-LBPRGKRZSA-N 0 2 403.385 3.679 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1cc(F)ccc1OC[C@H]1CCCO1 ZINC000509062572 1003525613 /nfs/dbraw/zinc/52/56/13/1003525613.db2.gz AQRMVSQMSJFYER-MRXNPFEDSA-N 0 2 409.479 3.810 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc(C)cc1OC[C@@H]1CCCO1 ZINC000509075193 1003535116 /nfs/dbraw/zinc/53/51/16/1003535116.db2.gz OYTKSPKRCHXLHL-KRWDZBQOSA-N 0 2 405.516 3.979 20 0 HHADLN O=C1CCc2ccc(NS(=O)(=O)c3c(Cl)cccc3Br)cc2N1 ZINC000509088164 1003543513 /nfs/dbraw/zinc/54/35/13/1003543513.db2.gz ACMHLRHTGSXTRR-UHFFFAOYSA-N 0 2 415.696 3.788 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000509103528 1003554118 /nfs/dbraw/zinc/55/41/18/1003554118.db2.gz POJLAKOAACOIQB-UHFFFAOYSA-N 0 2 423.556 3.829 20 0 HHADLN O=C(Nc1nc2c(s1)CSCC2)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000500250429 1003581959 /nfs/dbraw/zinc/58/19/59/1003581959.db2.gz IPTXMQBBMVTJNW-UHFFFAOYSA-N 0 2 404.300 3.522 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000509216712 1003630181 /nfs/dbraw/zinc/63/01/81/1003630181.db2.gz HVBBWOQHZOPXLD-CYBMUJFWSA-N 0 2 409.577 3.801 20 0 HHADLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1c(Cl)cccc1Br ZINC000509221605 1003635235 /nfs/dbraw/zinc/63/52/35/1003635235.db2.gz CLCRSUCVZOKJCH-UHFFFAOYSA-N 0 2 400.632 3.872 20 0 HHADLN CCN(CC)C(=O)Cn1ccc2cc(NS(=O)(=O)c3cc(C)ccc3F)ccc21 ZINC000500338432 1003637420 /nfs/dbraw/zinc/63/74/20/1003637420.db2.gz CSEVBAZYVGLYPX-UHFFFAOYSA-N 0 2 417.506 3.758 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1N1CCSCC1)c1ccc(F)cc1F ZINC000500371644 1003668198 /nfs/dbraw/zinc/66/81/98/1003668198.db2.gz FHNOMQTYFDATPC-UHFFFAOYSA-N 0 2 404.891 3.972 20 0 HHADLN O=S(=O)(Nc1noc(C2CC2)n1)c1cc(C(F)(F)F)ccc1Br ZINC000500489609 1003744528 /nfs/dbraw/zinc/74/45/28/1003744528.db2.gz PZQZMXQOUCRYJO-UHFFFAOYSA-N 0 2 412.187 3.529 20 0 HHADLN CO[C@H]1CCC[C@H](Oc2ccnc(NS(=O)(=O)c3cc(C)ccc3Cl)n2)C1 ZINC000500569280 1003788798 /nfs/dbraw/zinc/78/87/98/1003788798.db2.gz QHVUPGNZYVTNRB-KBPBESRZSA-N 0 2 411.911 3.576 20 0 HHADLN Cc1ccc(Cc2ccccn2)cc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000509384993 1003814770 /nfs/dbraw/zinc/81/47/70/1003814770.db2.gz NMCWNQZWBLWKRC-UHFFFAOYSA-N 0 2 404.495 3.967 20 0 HHADLN Cc1ccc(F)cc1-c1nnc(NC(=O)c2nc[nH]c2C(=O)c2ccccc2)s1 ZINC000509406782 1003838432 /nfs/dbraw/zinc/83/84/32/1003838432.db2.gz WDRKFYROIPWJMQ-UHFFFAOYSA-N 0 2 407.430 3.859 20 0 HHADLN CC1CCC(N(C[C@H]2CCCO2)C(=O)C2=NN(c3ccc(F)cc3)CC2=O)CC1 ZINC000500668174 1003879667 /nfs/dbraw/zinc/87/96/67/1003879667.db2.gz NHIDZTXEDVEPLM-GXOAENINSA-N 0 2 401.482 3.917 20 0 HHADLN O=S(=O)(Nc1ccc(Oc2ccc(F)cc2)nc1)c1cccc2c1OCCO2 ZINC000509551172 1003940088 /nfs/dbraw/zinc/94/00/88/1003940088.db2.gz ADNDXJWLNMDRCT-UHFFFAOYSA-N 0 2 402.403 3.585 20 0 HHADLN Cc1cc(Sc2ncccn2)ccc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000509556590 1003943074 /nfs/dbraw/zinc/94/30/74/1003943074.db2.gz KLRALCDORIOMPF-UHFFFAOYSA-N 0 2 423.523 3.923 20 0 HHADLN Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000509577547 1003956437 /nfs/dbraw/zinc/95/64/37/1003956437.db2.gz NDXUIIYVUKISAL-UHFFFAOYSA-N 0 2 421.482 3.623 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2nc3c(ccc(F)c3F)s2)cc1OC ZINC000500877812 1004022986 /nfs/dbraw/zinc/02/29/86/1004022986.db2.gz YAQYUBVXWMIAAK-UHFFFAOYSA-N 0 2 404.391 3.532 20 0 HHADLN CO[C@@H](C)c1nsc(NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)n1 ZINC000509728211 1004055372 /nfs/dbraw/zinc/05/53/72/1004055372.db2.gz LZPJZJRLEYWSMJ-LBPRGKRZSA-N 0 2 401.454 3.847 20 0 HHADLN COc1cccc(-c2nsc(NS(=O)(=O)c3cc(Cl)sc3Cl)n2)c1 ZINC000512356489 1004242712 /nfs/dbraw/zinc/24/27/12/1004242712.db2.gz AZDAABBETWWBEN-UHFFFAOYSA-N 0 2 422.340 3.805 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccc(Cl)c2)ns1)c1ccc2ncccc2c1 ZINC000512356886 1004243693 /nfs/dbraw/zinc/24/36/93/1004243693.db2.gz DMPSCZXHHWGJSI-UHFFFAOYSA-N 0 2 402.888 3.629 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccc(Cl)c2)ns1)c1cccc2cccnc21 ZINC000512357865 1004244462 /nfs/dbraw/zinc/24/44/62/1004244462.db2.gz KTCAKDKJXCYSLV-UHFFFAOYSA-N 0 2 402.888 3.629 20 0 HHADLN COC(=O)[C@H](NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)c1ccsc1 ZINC000510007036 1004260788 /nfs/dbraw/zinc/26/07/88/1004260788.db2.gz KTUAFQYYWKJZED-GFCCVEGCSA-N 0 2 413.826 3.613 20 0 HHADLN CCn1cc(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)cn1 ZINC000510086610 1004313323 /nfs/dbraw/zinc/31/33/23/1004313323.db2.gz PIPUKCMWKQGCAY-UHFFFAOYSA-N 0 2 422.869 3.749 20 0 HHADLN Cc1cc2c(cc1NS(=O)(=O)c1cc(F)c(Br)cc1F)OCO2 ZINC000510110960 1004330608 /nfs/dbraw/zinc/33/06/08/1004330608.db2.gz ZHDZFKAERUTBRC-UHFFFAOYSA-N 0 2 406.204 3.565 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cn(-c3ccccc3)nc2C)cc1Cl ZINC000510136836 1004349424 /nfs/dbraw/zinc/34/94/24/1004349424.db2.gz TXYXCUSXZHGOOO-UHFFFAOYSA-N 0 2 422.869 3.732 20 0 HHADLN O=C(c1cccc(OCc2cccc(Cl)c2)c1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510287753 1004453530 /nfs/dbraw/zinc/45/35/30/1004453530.db2.gz MGSPVSLDAYYWNV-MRXNPFEDSA-N 0 2 412.877 3.763 20 0 HHADLN CN1c2ccc(S(=O)(=O)Nc3cc(F)ccc3OC(F)F)c3cccc(c23)C1=O ZINC000512757312 1004539970 /nfs/dbraw/zinc/53/99/70/1004539970.db2.gz IGALGSLDQNDTMI-UHFFFAOYSA-N 0 2 422.384 3.971 20 0 HHADLN NC(=O)N1CCc2cc(NS(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)ccc21 ZINC000512771512 1004550139 /nfs/dbraw/zinc/55/01/39/1004550139.db2.gz MMQWFZDSKACBQQ-UHFFFAOYSA-N 0 2 420.705 3.889 20 0 HHADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1O ZINC000512785490 1004558726 /nfs/dbraw/zinc/55/87/26/1004558726.db2.gz JWOQPBZWIZKHMF-UHFFFAOYSA-N 0 2 409.769 3.652 20 0 HHADLN COc1ccc(-c2nnc(SCc3n[nH]c(=O)[nH]3)n2C2CCCCC2)cc1OC ZINC000513229307 1004871269 /nfs/dbraw/zinc/87/12/69/1004871269.db2.gz VWUCRNRXIUFVIV-UHFFFAOYSA-N 0 2 416.507 3.584 20 0 HHADLN CCOc1ccc(-c2nnc(SCc3n[nH]c(=O)[nH]3)n2-c2ccccc2F)cc1 ZINC000513255086 1004881859 /nfs/dbraw/zinc/88/18/59/1004881859.db2.gz FBPAQMGTEHMEGR-UHFFFAOYSA-N 0 2 412.450 3.588 20 0 HHADLN O=C(C1=NN(c2ccccc2)CC1=O)N1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000502097742 1004901930 /nfs/dbraw/zinc/90/19/30/1004901930.db2.gz HXMCSRONXUHWLJ-CQSZACIVSA-N 0 2 406.417 3.878 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)c1F ZINC000513458828 1004975639 /nfs/dbraw/zinc/97/56/39/1004975639.db2.gz UXDGDOMAANKWMU-UHFFFAOYSA-N 0 2 414.458 3.952 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)cc1OC ZINC000502405275 1005060987 /nfs/dbraw/zinc/06/09/87/1005060987.db2.gz OJOWAHWQYSPETI-CQSZACIVSA-N 0 2 423.510 3.726 20 0 HHADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc(Cl)cc1O ZINC000513814999 1005140353 /nfs/dbraw/zinc/14/03/53/1005140353.db2.gz LEKRWRQZKLPFLR-UHFFFAOYSA-N 0 2 406.685 3.926 20 0 HHADLN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccccc1OC[C@H]1CCCCO1 ZINC000513815595 1005140907 /nfs/dbraw/zinc/14/09/07/1005140907.db2.gz XNFZJWNCRBMMPI-MRXNPFEDSA-N 0 2 419.499 3.530 20 0 HHADLN CCCCCN1CC(=O)N[C@@H]1c1cc(Br)c(O)c(Br)c1 ZINC000502754347 1005202224 /nfs/dbraw/zinc/20/22/24/1005202224.db2.gz ZIYAEOMCHOWDMV-AWEZNQCLSA-N 0 2 406.118 3.538 20 0 HHADLN CCCCN(CCCC)S(=O)(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000503208139 1005368862 /nfs/dbraw/zinc/36/88/62/1005368862.db2.gz OLFRSTCZLIFFQG-SFHVURJKSA-N 0 2 405.568 3.756 20 0 HHADLN Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)c1O ZINC000503311896 1005388434 /nfs/dbraw/zinc/38/84/34/1005388434.db2.gz OUCHMSYSMQQEPS-UHFFFAOYSA-N 0 2 403.485 3.519 20 0 HHADLN O=C(Cc1c(F)ccc(Br)c1F)N=c1nc(-c2ccsc2)[nH]s1 ZINC000503334377 1005392491 /nfs/dbraw/zinc/39/24/91/1005392491.db2.gz FWLWLGQUNOJHHO-UHFFFAOYSA-N 0 2 416.272 3.910 20 0 HHADLN Cc1cc(Br)c(O)c(NC(=O)c2nc[nH]c2C(=O)c2ccccc2)c1 ZINC000503860488 1005501858 /nfs/dbraw/zinc/50/18/58/1005501858.db2.gz NHLPYRCYIUNTCX-UHFFFAOYSA-N 0 2 400.232 3.670 20 0 HHADLN Cc1cc(Br)c(O)c(NC(=O)c2[nH]cnc2C(=O)c2ccccc2)c1 ZINC000503860488 1005501861 /nfs/dbraw/zinc/50/18/61/1005501861.db2.gz NHLPYRCYIUNTCX-UHFFFAOYSA-N 0 2 400.232 3.670 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)c(OC(F)F)c1)c1cnn(Cc2ccccc2)c1 ZINC000504046208 1005539999 /nfs/dbraw/zinc/53/99/99/1005539999.db2.gz UADOGMLWZJLTKH-UHFFFAOYSA-N 0 2 413.833 3.987 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000504045975 1005540009 /nfs/dbraw/zinc/54/00/09/1005540009.db2.gz SPKZHYJHCCMEEQ-UHFFFAOYSA-N 0 2 409.769 3.668 20 0 HHADLN Cn1ccnc1[C@H](NC(=O)N=c1nc(-c2ccccc2)[nH]s1)c1ccc(Cl)cc1 ZINC000531103339 1005996052 /nfs/dbraw/zinc/99/60/52/1005996052.db2.gz YTMLTDBICZJUJV-MRXNPFEDSA-N 0 2 424.917 3.925 20 0 HHADLN COc1ccnc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 ZINC000534058004 1006029890 /nfs/dbraw/zinc/02/98/90/1006029890.db2.gz GKQONELICILKRW-UHFFFAOYSA-N 0 2 400.300 3.929 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCC[C@H](OCC(F)(F)F)C3)=N2)c1 ZINC000531225920 1006057815 /nfs/dbraw/zinc/05/78/15/1006057815.db2.gz QQAOGESOHLNHPS-INIZCTEOSA-N 0 2 411.424 3.885 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000534086847 1006060135 /nfs/dbraw/zinc/06/01/35/1006060135.db2.gz ZPPVFRPCUQZIIB-UHFFFAOYSA-N 0 2 416.453 3.733 20 0 HHADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1cccc2ccc(C)nc21 ZINC000534168730 1006151759 /nfs/dbraw/zinc/15/17/59/1006151759.db2.gz QUPWJSBPWMBSOL-UHFFFAOYSA-N 0 2 411.483 3.701 20 0 HHADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1nc2c(s1)CCCCC2 ZINC000534170649 1006154735 /nfs/dbraw/zinc/15/47/35/1006154735.db2.gz JKXZJTMUVMQSFB-UHFFFAOYSA-N 0 2 421.544 3.570 20 0 HHADLN Cc1ccc(CC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1C ZINC000531491382 1006228582 /nfs/dbraw/zinc/22/85/82/1006228582.db2.gz OHVVAJWHTXZXIR-UHFFFAOYSA-N 0 2 401.513 3.742 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3c(C)cc(OC)cc3C)s2)c1 ZINC000531603770 1006301590 /nfs/dbraw/zinc/30/15/90/1006301590.db2.gz OBLWQSWUVVVWAA-UHFFFAOYSA-N 0 2 419.528 3.564 20 0 HHADLN Cc1cccc2c1CC[C@H]2NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000531645712 1006326613 /nfs/dbraw/zinc/32/66/13/1006326613.db2.gz VVQORRLRDAJYFQ-GOSISDBHSA-N 0 2 413.524 3.670 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000534437198 1006413146 /nfs/dbraw/zinc/41/31/46/1006413146.db2.gz URXKZJOSYWSKBY-UHFFFAOYSA-N 0 2 416.466 3.918 20 0 HHADLN Cc1cc(C)cc(-c2cc(NS(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4)[nH]n2)c1 ZINC000531780636 1006422059 /nfs/dbraw/zinc/42/20/59/1006422059.db2.gz FDDYRSLZXGPAGP-UHFFFAOYSA-N 0 2 410.499 3.724 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC000515450657 1006472499 /nfs/dbraw/zinc/47/24/99/1006472499.db2.gz PPEPWKUJTBVOKN-UHFFFAOYSA-N 0 2 405.458 3.693 20 0 HHADLN O=C(N[C@@H]1CCc2ccc(F)cc21)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000531898582 1006505640 /nfs/dbraw/zinc/50/56/40/1006505640.db2.gz JFODOFXPIUFTPI-QGZVFWFLSA-N 0 2 417.487 3.500 20 0 HHADLN CCN(Cc1ccc(C)cc1)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000531901353 1006508686 /nfs/dbraw/zinc/50/86/86/1006508686.db2.gz NHFKVPYARZPNBU-UHFFFAOYSA-N 0 2 415.540 3.915 20 0 HHADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1nc2ccccc2cc1Br ZINC000515557118 1006533448 /nfs/dbraw/zinc/53/34/48/1006533448.db2.gz RPZGHAZPQRRLMZ-UHFFFAOYSA-N 0 2 410.231 3.740 20 0 HHADLN Cc1c(S(=O)(=O)Nc2c(C)cc(Br)cc2C)cnn1-c1ccccn1 ZINC000531950603 1006539372 /nfs/dbraw/zinc/53/93/72/1006539372.db2.gz XCZKBAKAFWIELG-UHFFFAOYSA-N 0 2 421.320 3.756 20 0 HHADLN COc1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2cncc(Cl)c2)c1 ZINC000534598231 1006579321 /nfs/dbraw/zinc/57/93/21/1006579321.db2.gz ZEAYDKIBFJFJQK-UHFFFAOYSA-N 0 2 417.874 3.797 20 0 HHADLN OC(=CSc1nnc(-c2ccc(F)cc2)o1)Nc1nc(-c2ccccc2)ns1 ZINC000515703677 1006600491 /nfs/dbraw/zinc/60/04/91/1006600491.db2.gz SWCZEAQQTJBOPI-UHFFFAOYSA-N 0 2 413.459 3.547 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3nc4ccc(Cl)cc4s3)cnc2c1Cl ZINC000538366263 1006636754 /nfs/dbraw/zinc/63/67/54/1006636754.db2.gz XQUJAWMOHHLEMC-UHFFFAOYSA-N 0 2 414.299 3.755 20 0 HHADLN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(C)cc1OCC(F)(F)F ZINC000534688632 1006670880 /nfs/dbraw/zinc/67/08/80/1006670880.db2.gz RBIYAVKCPILSIR-UHFFFAOYSA-N 0 2 421.368 3.663 20 0 HHADLN O=C(Nc1cccc2ccncc21)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000532156746 1006681006 /nfs/dbraw/zinc/68/10/06/1006681006.db2.gz GUMKSOUIRDNGPS-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000534742592 1006732787 /nfs/dbraw/zinc/73/27/87/1006732787.db2.gz NOZMEZDOZYMBJU-KRWDZBQOSA-N 0 2 420.897 3.931 20 0 HHADLN O=S(=O)(Cc1ccc(F)c(Cl)c1)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000534742593 1006733116 /nfs/dbraw/zinc/73/31/16/1006733116.db2.gz NOZMEZDOZYMBJU-QGZVFWFLSA-N 0 2 420.897 3.931 20 0 HHADLN O=C(Nc1cncc2ccccc21)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000534757578 1006754163 /nfs/dbraw/zinc/75/41/63/1006754163.db2.gz JPGDTWYNMNYJIW-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN COC[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000532482102 1006921504 /nfs/dbraw/zinc/92/15/04/1006921504.db2.gz NJFYGPIMMXDMTK-YADHBBJMSA-N 0 2 421.507 3.971 20 0 HHADLN CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2)cn1C ZINC000516341726 1007028811 /nfs/dbraw/zinc/02/88/11/1007028811.db2.gz WALHKBDTYXKCGT-UHFFFAOYSA-N 0 2 419.890 3.631 20 0 HHADLN CC[C@H](C)n1ncc(NS(=O)(=O)c2cc(C(=O)OC)cc(C)c2C)c1C1CC1 ZINC000534972189 1007029322 /nfs/dbraw/zinc/02/93/22/1007029322.db2.gz LKXMDFHKOPOTRM-ZDUSSCGKSA-N 0 2 405.520 3.936 20 0 HHADLN CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)Nc2nc(C3CC3)cs2)s1 ZINC000538851912 1007124985 /nfs/dbraw/zinc/12/49/85/1007124985.db2.gz IWBXVENIVRHGOG-UHFFFAOYSA-N 0 2 413.590 3.588 20 0 HHADLN C[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC12CCC2 ZINC000538948326 1007234942 /nfs/dbraw/zinc/23/49/42/1007234942.db2.gz JNSSMDQYFARMNU-AWEZNQCLSA-N 0 2 420.560 3.988 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c(C)o1 ZINC000532849410 1007236180 /nfs/dbraw/zinc/23/61/80/1007236180.db2.gz ZDYMNGFDPWXIIU-UHFFFAOYSA-N 0 2 417.468 3.552 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Oc3ccc(F)cc3)nc2)c(C)o1 ZINC000532851683 1007240016 /nfs/dbraw/zinc/24/00/16/1007240016.db2.gz WGWNPEJLAAAJIX-UHFFFAOYSA-N 0 2 406.391 3.502 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCC[C@H]1Cn1cnc2ccccc21 ZINC000535217401 1007269322 /nfs/dbraw/zinc/26/93/22/1007269322.db2.gz WZPPULNIEKMTEB-INIZCTEOSA-N 0 2 404.499 3.673 20 0 HHADLN CC(C)(C)c1cc(NS(=O)(=O)c2ccc3c(c2)CCCO3)n(-c2ccccn2)n1 ZINC000538978138 1007270867 /nfs/dbraw/zinc/27/08/67/1007270867.db2.gz JVTRCKBMNXISTG-UHFFFAOYSA-N 0 2 412.515 3.691 20 0 HHADLN CCOc1cc(NS(=O)(=O)c2cc(F)c(Br)cc2F)ccc1OC ZINC000535232224 1007284961 /nfs/dbraw/zinc/28/49/61/1007284961.db2.gz BFRJKYHSTBICSE-UHFFFAOYSA-N 0 2 422.247 3.935 20 0 HHADLN CC(C)CNC(=O)Cc1nc(=O)c2sc(-c3cccc(Br)c3)cc2[nH]1 ZINC000516832668 1007315231 /nfs/dbraw/zinc/31/52/31/1007315231.db2.gz WBUYDCUEVQJGHB-UHFFFAOYSA-N 0 2 420.332 3.729 20 0 HHADLN O=C(Nc1[nH]nc2c1cccc2Cl)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000532946116 1007316872 /nfs/dbraw/zinc/31/68/72/1007316872.db2.gz VFHFLKWRVNAYJK-UHFFFAOYSA-N 0 2 424.935 3.705 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000535303709 1007354902 /nfs/dbraw/zinc/35/49/02/1007354902.db2.gz NLVFXURTOSSFKS-UHFFFAOYSA-N 0 2 400.776 3.841 20 0 HHADLN CCc1ncc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cn1 ZINC000533005813 1007372259 /nfs/dbraw/zinc/37/22/59/1007372259.db2.gz WJIUVPVASSUVLQ-UHFFFAOYSA-N 0 2 410.215 3.621 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2[nH]nc(C)c2-c2ccccc2)cc1 ZINC000535394388 1007460614 /nfs/dbraw/zinc/46/06/14/1007460614.db2.gz ZFDRKPQJHLVDMB-UHFFFAOYSA-N 0 2 401.488 3.601 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cc(F)ccc2SCC(F)F)c(C)o1 ZINC000533166467 1007504792 /nfs/dbraw/zinc/50/47/92/1007504792.db2.gz KGBABXNXYMXPGA-UHFFFAOYSA-N 0 2 409.407 3.672 20 0 HHADLN CS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc2oc3ccccc3c2c1 ZINC000539232991 1007526639 /nfs/dbraw/zinc/52/66/39/1007526639.db2.gz OARXDLRYJDLGBT-UHFFFAOYSA-N 0 2 401.465 3.790 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)Nc2cccc3c2CN(c2nccs2)C3)s[nH]1 ZINC000535486269 1007547728 /nfs/dbraw/zinc/54/77/28/1007547728.db2.gz LGGOCNIZTGZWGY-UHFFFAOYSA-N 0 2 400.533 3.878 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2)n[nH]1)c1cnc([C@H]2CCCO2)s1 ZINC000535565178 1007596087 /nfs/dbraw/zinc/59/60/87/1007596087.db2.gz WHVOAOJAGDQHMS-LLVKDONJSA-N 0 2 420.292 3.795 20 0 HHADLN CCc1ccc2nc(NS(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)sc2c1 ZINC000535655341 1007668169 /nfs/dbraw/zinc/66/81/69/1007668169.db2.gz NJILAQUSXWULDD-UHFFFAOYSA-N 0 2 401.513 3.569 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000539440109 1007749330 /nfs/dbraw/zinc/74/93/30/1007749330.db2.gz UOTMFTSGKFUTLO-JKSUJKDBSA-N 0 2 402.426 3.557 20 0 HHADLN CCc1c(NS(=O)(=O)c2c(C)nn(C(C)C)c2C)cnn1-c1ccccc1C ZINC000517646855 1007858981 /nfs/dbraw/zinc/85/89/81/1007858981.db2.gz CRIBIXCBNUOTHA-UHFFFAOYSA-N 0 2 401.536 3.938 20 0 HHADLN COC(=O)CCSc1cccc(NS(=O)(=O)c2cc(F)c(C)cc2F)c1 ZINC000535891188 1007910798 /nfs/dbraw/zinc/91/07/98/1007910798.db2.gz AYSUDZJURQIFGY-UHFFFAOYSA-N 0 2 401.456 3.729 20 0 HHADLN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cn(-c2ccc(Cl)cc2)nn1 ZINC000517746385 1007943250 /nfs/dbraw/zinc/94/32/50/1007943250.db2.gz NIEYGHPALCVMLV-UHFFFAOYSA-N 0 2 400.229 3.612 20 0 HHADLN O=S(=O)(Nc1nnc(C(F)F)s1)c1ccc(Br)cc1Cl ZINC000533690892 1008014746 /nfs/dbraw/zinc/01/47/46/1008014746.db2.gz BOVALKRLSOXCKJ-UHFFFAOYSA-N 0 2 404.645 3.692 20 0 HHADLN Cc1cc2c[nH]nc2cc1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000535989814 1008029028 /nfs/dbraw/zinc/02/90/28/1008029028.db2.gz BSYSJQXNXOICGN-UHFFFAOYSA-N 0 2 402.220 3.713 20 0 HHADLN COc1ccccc1N1CC[C@@H]([N@H+]2CCC[C@@H](c3nnc(C4CCCCC4)[nH]3)C2)C1=O ZINC000539766098 1008081722 /nfs/dbraw/zinc/08/17/22/1008081722.db2.gz IYUNXYKIECZONO-UYAOXDASSA-N 0 2 423.561 3.846 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2noc(-c3cccs3)n2)c1 ZINC000539813415 1008110140 /nfs/dbraw/zinc/11/01/40/1008110140.db2.gz YTTMNQZPEFLOFQ-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN CC(=O)Nc1cc(NS(=O)(=O)c2cc(F)c(Br)cc2F)ccc1C ZINC000533787986 1008111061 /nfs/dbraw/zinc/11/10/61/1008111061.db2.gz CCBGKSFIHCLGGY-UHFFFAOYSA-N 0 2 419.247 3.795 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)Nc3ccccc3C)c2)cc1 ZINC000539849928 1008138766 /nfs/dbraw/zinc/13/87/66/1008138766.db2.gz QOIXENONSUGVOG-UHFFFAOYSA-N 0 2 412.467 3.762 20 0 HHADLN CCOc1ccc2nc(NS(=O)(=O)c3cccc(C(=O)OC)c3C)sc2c1 ZINC000518240896 1008222023 /nfs/dbraw/zinc/22/20/23/1008222023.db2.gz KSZVVZTXMYNSJL-UHFFFAOYSA-N 0 2 406.485 3.591 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)nn1-c1ccccc1 ZINC000540040076 1008251172 /nfs/dbraw/zinc/25/11/72/1008251172.db2.gz HJQPYAQZMILTIN-UHFFFAOYSA-N 0 2 411.405 3.923 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000518788120 1008420877 /nfs/dbraw/zinc/42/08/77/1008420877.db2.gz MNZZNKJWGBJXHI-UHFFFAOYSA-N 0 2 414.493 3.793 20 0 HHADLN O=C(COc1ccccc1)N1CCC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2O)C1 ZINC000545447389 1008559743 /nfs/dbraw/zinc/55/97/43/1008559743.db2.gz ODNMZYVWURQGRD-ZDUSSCGKSA-N 0 2 423.296 3.955 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cc(F)c(F)cc2F)cnn1-c1cc(C)ccn1 ZINC000545473303 1008580443 /nfs/dbraw/zinc/58/04/43/1008580443.db2.gz GVEDMNLCGOVZJI-UHFFFAOYSA-N 0 2 410.421 3.746 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(C)cc3)s2)c(C)c1F ZINC000543031641 1008615066 /nfs/dbraw/zinc/61/50/66/1008615066.db2.gz MTRVVOITZWATFH-UHFFFAOYSA-N 0 2 407.492 3.694 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc3c(c2)COC3)cnn1-c1cccc(F)c1 ZINC000543164438 1008739205 /nfs/dbraw/zinc/73/92/05/1008739205.db2.gz NXAJAPBXIBJEFQ-UHFFFAOYSA-N 0 2 401.463 3.795 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccccc1NCC(F)(F)F ZINC000543165335 1008741387 /nfs/dbraw/zinc/74/13/87/1008741387.db2.gz CAGWYOFITUDYQF-UHFFFAOYSA-N 0 2 404.458 3.931 20 0 HHADLN [O-]c1c(Br)cccc1-c1nc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000545683064 1008776384 /nfs/dbraw/zinc/77/63/84/1008776384.db2.gz FHPDQDNTLAHUQV-INIZCTEOSA-N 0 2 416.275 3.778 20 0 HHADLN [O-]c1c(Br)cccc1-c1nc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000545683064 1008776395 /nfs/dbraw/zinc/77/63/95/1008776395.db2.gz FHPDQDNTLAHUQV-INIZCTEOSA-N 0 2 416.275 3.778 20 0 HHADLN CCOc1cc(C)ccc1NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC000519468951 1008844949 /nfs/dbraw/zinc/84/49/49/1008844949.db2.gz HTPROUPOHBLJTC-UHFFFAOYSA-N 0 2 415.265 3.865 20 0 HHADLN CC[C@]1(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)OCCc2ccccc21 ZINC000519568324 1008912749 /nfs/dbraw/zinc/91/27/49/1008912749.db2.gz NOUBFJHLKZXZAM-LJQANCHMSA-N 0 2 400.529 3.688 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1cc(Cl)ccc1O ZINC000519576513 1008920221 /nfs/dbraw/zinc/92/02/21/1008920221.db2.gz WDBBBMJMOBHUDS-KRWDZBQOSA-N 0 2 413.905 3.899 20 0 HHADLN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNC(=O)c1cc(Cl)ccc1O ZINC000519576513 1008920235 /nfs/dbraw/zinc/92/02/35/1008920235.db2.gz WDBBBMJMOBHUDS-KRWDZBQOSA-N 0 2 413.905 3.899 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc3ccccc3c2)o1)c1ccc2c(c1)CCCO2 ZINC000519623492 1008934411 /nfs/dbraw/zinc/93/44/11/1008934411.db2.gz MUGFKZOWNCASIG-UHFFFAOYSA-N 0 2 421.478 3.939 20 0 HHADLN COc1cccc(COCC(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c1 ZINC000545910750 1008992632 /nfs/dbraw/zinc/99/26/32/1008992632.db2.gz BASQOSTVRGBSBP-UHFFFAOYSA-N 0 2 407.257 3.942 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1nnc(C2CCC2)n1Cc1ccccc1 ZINC000549482036 1009081648 /nfs/dbraw/zinc/08/16/48/1009081648.db2.gz PUKVKHFLAIFGFJ-UHFFFAOYSA-N 0 2 406.515 3.941 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](C)[C@H](OC)c3ccccc3F)s[nH]2)c1 ZINC000543615511 1009220494 /nfs/dbraw/zinc/22/04/94/1009220494.db2.gz WWUMESIVMKRPRK-SJCJKPOMSA-N 0 2 416.478 3.672 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(Cc3cc[nH]n3)Cc3ccccc3)s[nH]2)c1 ZINC000543621691 1009227132 /nfs/dbraw/zinc/22/71/32/1009227132.db2.gz YSTWDBIXZIZWDQ-UHFFFAOYSA-N 0 2 420.498 3.593 20 0 HHADLN Cc1nccc(NCc2cccc(C(=O)N=c3nc(-c4ccsc4)[nH]s3)c2)n1 ZINC000543647836 1009252780 /nfs/dbraw/zinc/25/27/80/1009252780.db2.gz ZSSRUVLWKIEJCB-UHFFFAOYSA-N 0 2 408.512 3.651 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1cccc(Cn2cccn2)c1 ZINC000543654929 1009260665 /nfs/dbraw/zinc/26/06/65/1009260665.db2.gz XOKNBJGKILEUGI-UHFFFAOYSA-N 0 2 424.917 3.847 20 0 HHADLN COc1cccc(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c1OC ZINC000543655143 1009260787 /nfs/dbraw/zinc/26/07/87/1009260787.db2.gz BSLBMTZTCXZRKN-UHFFFAOYSA-N 0 2 404.879 3.619 20 0 HHADLN CCc1cccc(NC(=O)CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c1 ZINC000543655021 1009260938 /nfs/dbraw/zinc/26/09/38/1009260938.db2.gz BFQSCVKRXCCBQI-UHFFFAOYSA-N 0 2 415.906 3.603 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1cc2ccc(Br)cc2[nH]1 ZINC000549728787 1009353250 /nfs/dbraw/zinc/35/32/50/1009353250.db2.gz AZBURNQGTFQVQS-UHFFFAOYSA-N 0 2 412.247 3.982 20 0 HHADLN Cn1nc(C2CCCC2)cc1NS(=O)(=O)c1ccc(F)c(Br)c1 ZINC000543792504 1009360085 /nfs/dbraw/zinc/36/00/85/1009360085.db2.gz VYCVIMVFSZCOGQ-UHFFFAOYSA-N 0 2 402.289 3.780 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCc1noc(-c2cccs2)n1 ZINC000520461678 1009571966 /nfs/dbraw/zinc/57/19/66/1009571966.db2.gz PKQWDZANNHIKJL-UHFFFAOYSA-N 0 2 418.891 3.714 20 0 HHADLN Cc1ccc(F)cc1S(=O)(=O)Nc1ccccc1S(=O)(=O)Nc1ccccc1 ZINC000546628510 1009638398 /nfs/dbraw/zinc/63/83/98/1009638398.db2.gz UCEFJAPQLUBYRV-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN Cc1cc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)n(-c2ccccc2C)n1 ZINC000544079923 1009686045 /nfs/dbraw/zinc/68/60/45/1009686045.db2.gz WMLJOHCZBGBRSY-UHFFFAOYSA-N 0 2 401.536 3.759 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000544096452 1009706371 /nfs/dbraw/zinc/70/63/71/1009706371.db2.gz NIHDFVIKPZTRRA-UHFFFAOYSA-N 0 2 421.563 3.841 20 0 HHADLN O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000550158394 1009739003 /nfs/dbraw/zinc/73/90/03/1009739003.db2.gz UYMBTQNNEZMCGH-ZDUSSCGKSA-N 0 2 400.385 3.601 20 0 HHADLN CCOc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)OC)c1 ZINC000520729526 1009796090 /nfs/dbraw/zinc/79/60/90/1009796090.db2.gz MREXFAUBLDAILJ-UHFFFAOYSA-N 0 2 403.378 3.692 20 0 HHADLN CCOc1ccc(-n2ncc(C(=O)Nc3cc(Cl)cc(Cl)c3O)c2C)nn1 ZINC000546858081 1009820105 /nfs/dbraw/zinc/82/01/05/1009820105.db2.gz RBTJWEWPMAEUJE-UHFFFAOYSA-N 0 2 408.245 3.634 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cccc(C(=O)CC)c2)cnn1-c1cc(C)ccn1 ZINC000546886401 1009846386 /nfs/dbraw/zinc/84/63/86/1009846386.db2.gz QLKSVYZWEMVGFU-UHFFFAOYSA-N 0 2 412.515 3.922 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)cc1CC ZINC000550424318 1009926012 /nfs/dbraw/zinc/92/60/12/1009926012.db2.gz FFCLKEKNWCTPRJ-GASCZTMLSA-N 0 2 423.604 3.678 20 0 HHADLN CCc1ccc2nc(NS(=O)(=O)c3cc(NC(C)=O)ccc3OC)sc2c1 ZINC000550642896 1010077833 /nfs/dbraw/zinc/07/78/33/1010077833.db2.gz YRGQTPNSOWHBJD-UHFFFAOYSA-N 0 2 405.501 3.627 20 0 HHADLN O=C(Nc1nc2ccccc2n1CCCn1cc[nH+]c1)c1cc(F)c(F)c([O-])c1F ZINC000544493070 1010117480 /nfs/dbraw/zinc/11/74/80/1010117480.db2.gz UOFOXZNCWDUXBW-UHFFFAOYSA-N 0 2 415.375 3.698 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(-c3nc([C@H]4CCCO4)no3)ccc2F)cc1 ZINC000547187038 1010130215 /nfs/dbraw/zinc/13/02/15/1010130215.db2.gz HMHCOUHODQPDMW-MRXNPFEDSA-N 0 2 419.434 3.537 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](c3ccccc3)c3ccncc3)s[nH]2)c1 ZINC000544590243 1010216502 /nfs/dbraw/zinc/21/65/02/1010216502.db2.gz HPFCLDUSAIYUCK-IBGZPJMESA-N 0 2 417.494 3.942 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](C)c3ccccc3-n3cccn3)s[nH]2)c1 ZINC000544593338 1010218902 /nfs/dbraw/zinc/21/89/02/1010218902.db2.gz FFCASIJIPIMCBC-AWEZNQCLSA-N 0 2 420.498 3.704 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(C)n(Cc4ccncc4)c3C)s[nH]2)c1 ZINC000547274923 1010220616 /nfs/dbraw/zinc/22/06/16/1010220616.db2.gz SZIMIUOGBYHFRX-UHFFFAOYSA-N 0 2 419.510 3.750 20 0 HHADLN C[C@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc([S@@](C)=O)cc1 ZINC000544635683 1010259225 /nfs/dbraw/zinc/25/92/25/1010259225.db2.gz AMKOPYMRUABIFL-YBOJIHHZSA-N 0 2 420.947 3.901 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1ccn(C2CCCC2)n1 ZINC000544638990 1010264221 /nfs/dbraw/zinc/26/42/21/1010264221.db2.gz WZFYXBDZDZEOFR-UHFFFAOYSA-N 0 2 402.911 3.914 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cc(F)ccc2F)nc1C1CCCC1 ZINC000544664243 1010283246 /nfs/dbraw/zinc/28/32/46/1010283246.db2.gz HIUPGZXONFZUKX-UHFFFAOYSA-N 0 2 402.444 3.666 20 0 HHADLN Brc1cccc(-c2n[nH]c(-c3noc(-c4c[nH]nc4-c4ccoc4)n3)n2)c1 ZINC000521316010 1010299485 /nfs/dbraw/zinc/29/94/85/1010299485.db2.gz YPRKOASJHKBAAZ-UHFFFAOYSA-N 0 2 424.218 3.934 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccc2ncsc2c1 ZINC000547495671 1010327240 /nfs/dbraw/zinc/32/72/40/1010327240.db2.gz JNJOPFLEMUJEMC-UHFFFAOYSA-N 0 2 406.489 3.679 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2ccccc2CSC)c1 ZINC000544724852 1010332494 /nfs/dbraw/zinc/33/24/94/1010332494.db2.gz LJZPGUOLLTUGGY-UHFFFAOYSA-N 0 2 413.492 3.675 20 0 HHADLN O=C(Nc1ccc(O)c([N+](=O)[O-])c1)c1ccn(-c2cccc(Br)c2)n1 ZINC000547538717 1010344377 /nfs/dbraw/zinc/34/43/77/1010344377.db2.gz GAYFLQDMZMGLIY-UHFFFAOYSA-N 0 2 403.192 3.501 20 0 HHADLN COc1c(NS(=O)(=O)c2ccccc2SC)cc(Cl)cc1C(=O)N(C)C ZINC000551083268 1010354793 /nfs/dbraw/zinc/35/47/93/1010354793.db2.gz SYOQZBIPZMMIKY-UHFFFAOYSA-N 0 2 414.936 3.573 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1noc(-c2ccccc2Cl)n1 ZINC000551174413 1010418035 /nfs/dbraw/zinc/41/80/35/1010418035.db2.gz VJIRBLXWEVWVFP-UHFFFAOYSA-N 0 2 400.243 3.853 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)nc(C)n2C ZINC000547819132 1010437184 /nfs/dbraw/zinc/43/71/84/1010437184.db2.gz YKIQWTPHTVCIKN-UHFFFAOYSA-N 0 2 423.922 3.751 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)c(F)c1 ZINC000521527244 1010440102 /nfs/dbraw/zinc/44/01/02/1010440102.db2.gz JOHXDWNUBNMJIH-UHFFFAOYSA-N 0 2 423.462 3.907 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@H]1CCCOc2cc(F)ccc21 ZINC000547860244 1010454980 /nfs/dbraw/zinc/45/49/80/1010454980.db2.gz GRLVMILTQWPODT-ZDUSSCGKSA-N 0 2 402.451 3.591 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(Cc3ccc(F)cc3)no2)cc1 ZINC000544930682 1010500900 /nfs/dbraw/zinc/50/09/00/1010500900.db2.gz RYXWJITWFILRNA-UHFFFAOYSA-N 0 2 416.459 3.724 20 0 HHADLN Cc1n[nH]cc1-c1nnc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)s1 ZINC000548044580 1010511784 /nfs/dbraw/zinc/51/17/84/1010511784.db2.gz OEDJJOXQLDLTQR-UHFFFAOYSA-N 0 2 411.468 3.937 20 0 HHADLN COCn1nc(C)c(S(=O)(=O)Nc2nc(/C=C\c3ccccc3)cs2)c1C ZINC000551384571 1010552324 /nfs/dbraw/zinc/55/23/24/1010552324.db2.gz XBFFLLOYFOCZQP-KTKRTIGZSA-N 0 2 404.517 3.532 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 ZINC000548179819 1010554096 /nfs/dbraw/zinc/55/40/96/1010554096.db2.gz ZGFYUQMXRPNVMU-GFCCVEGCSA-N 0 2 404.879 3.716 20 0 HHADLN COc1c(NS(=O)(=O)c2cc(C)ccc2Cl)cc(Cl)cc1C(=O)N(C)C ZINC000551456788 1010597001 /nfs/dbraw/zinc/59/70/01/1010597001.db2.gz PUZYRZVNYQGTIL-UHFFFAOYSA-N 0 2 417.314 3.813 20 0 HHADLN CCN(CC)C(=O)COc1cccc(NS(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000551467148 1010603462 /nfs/dbraw/zinc/60/34/62/1010603462.db2.gz SFXWOUOXCPXAHB-UHFFFAOYSA-N 0 2 414.886 3.527 20 0 HHADLN COc1ccc(Cn2cc(NS(=O)(=O)c3ccc(Br)cc3)cn2)cc1 ZINC000551473231 1010608663 /nfs/dbraw/zinc/60/86/63/1010608663.db2.gz JUFSORMLFIWLJH-UHFFFAOYSA-N 0 2 422.304 3.503 20 0 HHADLN CCCC[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3c(F)cc(NC(C)=O)cc3F)c2C1 ZINC000545184514 1010675047 /nfs/dbraw/zinc/67/50/47/1010675047.db2.gz JNXIAPHMMHTAQV-UHFFFAOYSA-N 0 2 423.485 3.840 20 0 HHADLN CCCC[N@H+]1Cc2cccc([N-]S(=O)(=O)c3c(F)cc(NC(C)=O)cc3F)c2C1 ZINC000545184514 1010675055 /nfs/dbraw/zinc/67/50/55/1010675055.db2.gz JNXIAPHMMHTAQV-UHFFFAOYSA-N 0 2 423.485 3.840 20 0 HHADLN CCCc1c(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cnn1-c1cccc(C)c1 ZINC000521890301 1010689575 /nfs/dbraw/zinc/68/95/75/1010689575.db2.gz VDFOVZXBJAMJEG-UHFFFAOYSA-N 0 2 402.458 3.876 20 0 HHADLN Cc1cccn(Cc2c(F)cccc2NS(=O)(=O)c2cc(F)ccc2Cl)c1=O ZINC000521936735 1010724499 /nfs/dbraw/zinc/72/44/99/1010724499.db2.gz BHYYNYRXQVZABF-UHFFFAOYSA-N 0 2 424.856 3.937 20 0 HHADLN COc1ccc(C2(CNS(=O)(=O)[C@H](C)C(F)(F)F)CCCCC2)cc1OC ZINC000545365208 1010753407 /nfs/dbraw/zinc/75/34/07/1010753407.db2.gz ODMHLGIEHQSVBI-CYBMUJFWSA-N 0 2 409.470 3.776 20 0 HHADLN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000522034350 1010767802 /nfs/dbraw/zinc/76/78/02/1010767802.db2.gz QHUARQUZEIGAHG-VIFPVBQESA-N 0 2 401.319 3.704 20 0 HHADLN CNC(=O)CCCCC(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000548942034 1010772871 /nfs/dbraw/zinc/77/28/71/1010772871.db2.gz URMDWZOTULYUIS-UHFFFAOYSA-N 0 2 410.499 3.664 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000522360570 1010956873 /nfs/dbraw/zinc/95/68/73/1010956873.db2.gz GEROWGWHRRBSJI-UHFFFAOYSA-N 0 2 402.476 3.727 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3nc4ccc(Cl)cc4s3)cc21 ZINC000522436868 1011011841 /nfs/dbraw/zinc/01/18/41/1011011841.db2.gz DUQWJPRJDQEXRA-UHFFFAOYSA-N 0 2 407.904 3.660 20 0 HHADLN O=S(=O)(Nc1nc(/C=C/c2ccccc2)cs1)c1cccc2c1OCCO2 ZINC000522738106 1011186213 /nfs/dbraw/zinc/18/62/13/1011186213.db2.gz OMWYIRUDCLJSLL-MDZDMXLPSA-N 0 2 400.481 3.886 20 0 HHADLN COC(=O)c1cc(C)nc2nc(NS(=O)(=O)c3cccc(C)c3Cl)sc21 ZINC000540567621 1011226558 /nfs/dbraw/zinc/22/65/58/1011226558.db2.gz MKLQSNKIBADSQP-UHFFFAOYSA-N 0 2 411.892 3.549 20 0 HHADLN O=C(CCCNS(=O)(=O)c1ccc(F)cc1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000540623961 1011274375 /nfs/dbraw/zinc/27/43/75/1011274375.db2.gz KKMGSYKXMFTZDF-UHFFFAOYSA-N 0 2 421.277 3.535 20 0 HHADLN CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c(F)c1 ZINC000540821102 1011484007 /nfs/dbraw/zinc/48/40/07/1011484007.db2.gz MXLIPBWMNJWPDF-UHFFFAOYSA-N 0 2 421.201 3.967 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N2CCC(c3cccc4ccccc43)CC2)s[nH]1 ZINC000523082205 1011552305 /nfs/dbraw/zinc/55/23/05/1011552305.db2.gz BUSYUIBCZYTEJT-UHFFFAOYSA-N 0 2 422.554 3.755 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)c3cccs3)cc2)nc(C)n1 ZINC000523105149 1011574355 /nfs/dbraw/zinc/57/43/55/1011574355.db2.gz DLJQCRTZRZOKGI-CYBMUJFWSA-N 0 2 416.528 3.698 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1scnc1C1CC1 ZINC000536392047 1011600368 /nfs/dbraw/zinc/60/03/68/1011600368.db2.gz WMJRIWCENRTQHH-UHFFFAOYSA-N 0 2 406.514 3.530 20 0 HHADLN CCSCc1ccnc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c1 ZINC000536419367 1011635970 /nfs/dbraw/zinc/63/59/70/1011635970.db2.gz HNVHSKPEXJCHIW-UHFFFAOYSA-N 0 2 413.524 3.879 20 0 HHADLN COc1ccc(C[C@@H](C)CNC(=O)N=c2nc(-c3ccccc3)[nH]s2)cc1OC ZINC000536485818 1011696427 /nfs/dbraw/zinc/69/64/27/1011696427.db2.gz LVAZWNOWTWMBOE-CQSZACIVSA-N 0 2 412.515 3.645 20 0 HHADLN Cn1cnc(-c2cccc(NS(=O)(=O)c3c(Cl)cccc3C(F)(F)F)c2)n1 ZINC000541165240 1011833460 /nfs/dbraw/zinc/83/34/60/1011833460.db2.gz PRQAZZZTCQNAPX-UHFFFAOYSA-N 0 2 416.812 3.955 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cc(F)c(SC)c(F)c2)cn1 ZINC000541301888 1012004751 /nfs/dbraw/zinc/00/47/51/1012004751.db2.gz GMCWHXDZQXBLIL-UHFFFAOYSA-N 0 2 411.455 3.682 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cc1Cl ZINC000541306594 1012012565 /nfs/dbraw/zinc/01/25/65/1012012565.db2.gz BSVABLYGCMMWNR-UHFFFAOYSA-N 0 2 424.837 3.863 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)CCCC1CCOCC1 ZINC000552002705 1012042844 /nfs/dbraw/zinc/04/28/44/1012042844.db2.gz BLQGGOCDJNUDPJ-NRFANRHFSA-N 0 2 413.562 3.823 20 0 HHADLN O=C1NCCc2ccc(S(=O)(=O)Nc3cc(F)ccc3Oc3ccccc3)cc21 ZINC000523817940 1012498687 /nfs/dbraw/zinc/49/86/87/1012498687.db2.gz VBVIXPNFQPXODU-UHFFFAOYSA-N 0 2 412.442 3.705 20 0 HHADLN COc1ccc([C@H]2CCN(C(=O)N=c3nc(-c4cccc(OC)c4)[nH]s3)C2)cc1 ZINC000541755430 1012615527 /nfs/dbraw/zinc/61/55/27/1012615527.db2.gz QCUZJVLGJRREQG-INIZCTEOSA-N 0 2 410.499 3.666 20 0 HHADLN CCCc1c(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cnn1-c1ccc(C)cc1 ZINC000552624296 1012625713 /nfs/dbraw/zinc/62/57/13/1012625713.db2.gz DNRZUOVLFUTDLV-UHFFFAOYSA-N 0 2 402.458 3.876 20 0 HHADLN Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552624846 1012627303 /nfs/dbraw/zinc/62/73/03/1012627303.db2.gz ZXHMFBKBTTWSNI-UHFFFAOYSA-N 0 2 409.427 3.645 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H](C)c2ccccc2)c(F)c1Cl ZINC000541829896 1012717417 /nfs/dbraw/zinc/71/74/17/1012717417.db2.gz NOSWCGPQXANTAO-JTQLQIEISA-N 0 2 402.850 3.659 20 0 HHADLN O=S(=O)(Nc1nc2ccc(Cl)cc2s1)c1cnn(Cc2ccccc2)c1 ZINC000524050240 1012802029 /nfs/dbraw/zinc/80/20/29/1012802029.db2.gz MQSLMLARXOYTKV-UHFFFAOYSA-N 0 2 404.904 3.995 20 0 HHADLN O=S(=O)(Nc1ccccc1Nc1ccc(F)cc1)c1cnn([C@H]2CCOC2)c1 ZINC000537394929 1012877207 /nfs/dbraw/zinc/87/72/07/1012877207.db2.gz RCKYATUMUSONMO-INIZCTEOSA-N 0 2 402.451 3.528 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)N2CCO[C@@H](c3ccc(C(F)(F)F)cc3)C2)s[nH]1 ZINC000542026929 1012922571 /nfs/dbraw/zinc/92/25/71/1012922571.db2.gz ZWJAGFQYMBFDBF-CYBMUJFWSA-N 0 2 414.453 3.882 20 0 HHADLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C ZINC000729666783 1071782247 /nfs/dbraw/zinc/78/22/47/1071782247.db2.gz AEEGWDSAJFDAMF-UHFFFAOYSA-N 0 2 406.508 3.515 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@H](C)Cc2ccncc2)cc1 ZINC000487864616 1072102580 /nfs/dbraw/zinc/10/25/80/1072102580.db2.gz ZHHZJOSCSKPBAN-OAHLLOKOSA-N 0 2 415.540 3.613 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2[nH]nc(C3CC3)c2C)cc1Br ZINC000760322885 1072247614 /nfs/dbraw/zinc/24/76/14/1072247614.db2.gz OIBLCXZMORHPDN-UHFFFAOYSA-N 0 2 400.298 3.558 20 0 HHADLN O=C(CCNS(=O)(=O)/C=C/c1ccccc1)Nc1cc(Cl)cc(Cl)c1O ZINC000760412773 1072324682 /nfs/dbraw/zinc/32/46/82/1072324682.db2.gz KAYKMKGQGVTHJH-VQHVLOKHSA-N 0 2 415.298 3.618 20 0 HHADLN Cc1ccc(NC(=O)C[C@H]2SC(n3nccc3C(F)(F)F)=NC2=O)cc1Cl ZINC000913098409 1072327836 /nfs/dbraw/zinc/32/78/36/1072327836.db2.gz BDQZQNWPIKNOBG-LLVKDONJSA-N 0 2 416.812 3.739 20 0 HHADLN O=C(C[C@@H]1SC(n2nccc2C(F)(F)F)=NC1=O)Nc1ccc2ccccc2c1 ZINC000913099336 1072328404 /nfs/dbraw/zinc/32/84/04/1072328404.db2.gz NWZMSYUXCBCFEU-AWEZNQCLSA-N 0 2 418.400 3.930 20 0 HHADLN CCSCc1cccnc1NC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC001648994315 1072422786 /nfs/dbraw/zinc/42/27/86/1072422786.db2.gz JSSBLKAJHQLIMN-UHFFFAOYSA-N 0 2 400.529 3.606 20 0 HHADLN O=S(=O)(Nc1nccc(-c2ccccc2)n1)c1ccc(F)cc1Br ZINC000479125758 1072735354 /nfs/dbraw/zinc/73/53/54/1072735354.db2.gz HVRMLCIIRKCHRZ-UHFFFAOYSA-N 0 2 408.252 3.846 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(C(C)C)s1 ZINC000479126691 1072736844 /nfs/dbraw/zinc/73/68/44/1072736844.db2.gz KBJXWLMLUIJKIC-UHFFFAOYSA-N 0 2 405.929 3.531 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2c(C)c(C)nn2-c2ccc(Cl)cc2)c1 ZINC000479127638 1072738246 /nfs/dbraw/zinc/73/82/46/1072738246.db2.gz HLNXFODZNSMSFM-UHFFFAOYSA-N 0 2 419.890 3.730 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2F)s1)c1ccc2ncsc2c1 ZINC000479137605 1072749949 /nfs/dbraw/zinc/74/99/49/1072749949.db2.gz VJYOBBJWSFKITJ-UHFFFAOYSA-N 0 2 406.489 3.679 20 0 HHADLN Cc1cc(C2CC2)nc(NS(=O)(=O)c2cc(F)c(Br)cc2F)n1 ZINC000479137705 1072749984 /nfs/dbraw/zinc/74/99/84/1072749984.db2.gz VOWNGEBRDDCXPK-UHFFFAOYSA-N 0 2 404.236 3.504 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)c(F)c1 ZINC000479119395 1072755232 /nfs/dbraw/zinc/75/52/32/1072755232.db2.gz QUCWNWNWYLYKAI-UHFFFAOYSA-N 0 2 405.432 3.900 20 0 HHADLN O=C1CCCN1c1ccc(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)cc1 ZINC000479142353 1072763461 /nfs/dbraw/zinc/76/34/61/1072763461.db2.gz QCGSINVHMGSDPN-UHFFFAOYSA-N 0 2 407.904 3.877 20 0 HHADLN CN(C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001126870022 1072858877 /nfs/dbraw/zinc/85/88/77/1072858877.db2.gz QCLIRCKUPFLHRX-ZEQRLZLVSA-N 0 2 423.626 3.900 20 0 HHADLN O=C(c1c(O)cc(F)cc1F)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000588219559 1072919479 /nfs/dbraw/zinc/91/94/79/1072919479.db2.gz UPUXTVORLSROHL-LBPRGKRZSA-N 0 2 403.360 3.879 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c(OC)cc1Cl ZINC000588625402 1073066011 /nfs/dbraw/zinc/06/60/11/1073066011.db2.gz IUFMBCRFIGJVSK-UHFFFAOYSA-N 0 2 420.270 3.583 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000572057367 1073124867 /nfs/dbraw/zinc/12/48/67/1073124867.db2.gz AYFAEBYADGTFKG-UHFFFAOYSA-N 0 2 414.936 3.998 20 0 HHADLN CC(C)c1nnc(N(C)Cc2nc(=O)c3sccc3[nH]2)n1CCc1ccccc1 ZINC000555182728 1073225617 /nfs/dbraw/zinc/22/56/17/1073225617.db2.gz BBIHQCDZJHDWFP-UHFFFAOYSA-N 0 2 408.531 3.991 20 0 HHADLN Cc1cnn([C@H]2CCN(Cc3nc(=O)c4sc(-c5ccc(F)cc5)cc4[nH]3)C2)c1 ZINC000572411716 1073254394 /nfs/dbraw/zinc/25/43/94/1073254394.db2.gz ABTKEHQWHCFHCE-INIZCTEOSA-N 0 2 409.490 3.743 20 0 HHADLN Cc1cnn([C@H]2CC[N@H+](Cc3nc(=O)c4sc(-c5ccc(F)cc5)cc4[n-]3)C2)c1 ZINC000572411716 1073254396 /nfs/dbraw/zinc/25/43/96/1073254396.db2.gz ABTKEHQWHCFHCE-INIZCTEOSA-N 0 2 409.490 3.743 20 0 HHADLN Cc1cnn([C@H]2CC[N@@H+](Cc3nc(=O)c4sc(-c5ccc(F)cc5)cc4[n-]3)C2)c1 ZINC000572411716 1073254399 /nfs/dbraw/zinc/25/43/99/1073254399.db2.gz ABTKEHQWHCFHCE-INIZCTEOSA-N 0 2 409.490 3.743 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000572414356 1073256095 /nfs/dbraw/zinc/25/60/95/1073256095.db2.gz SHDCJHPVHUJROC-LSDHHAIUSA-N 0 2 404.923 3.846 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)c1cccnc1NC(C)C ZINC000555295313 1073325966 /nfs/dbraw/zinc/32/59/66/1073325966.db2.gz LIJYBSNQXHQUIE-IBGZPJMESA-N 0 2 421.545 3.755 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)s[nH]1 ZINC000589937661 1073422436 /nfs/dbraw/zinc/42/24/36/1073422436.db2.gz ZCRKQLBAMGKLRK-UHFFFAOYSA-N 0 2 410.478 3.625 20 0 HHADLN O=S(=O)(N[C@@H](c1nccs1)C(F)(F)F)c1ccc(Br)cc1F ZINC000555412982 1073435673 /nfs/dbraw/zinc/43/56/73/1073435673.db2.gz AAKJXJFWGPMHBV-VIFPVBQESA-N 0 2 419.219 3.627 20 0 HHADLN COc1ccccc1-c1n[nH]c(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)n1 ZINC000589109828 1073438349 /nfs/dbraw/zinc/43/83/49/1073438349.db2.gz JVRSZDGOAGLEIH-UHFFFAOYSA-N 0 2 409.446 3.919 20 0 HHADLN Cc1nnnn1-c1cc(NS(=O)(=O)c2c(Cl)ccc(C)c2Cl)ccc1F ZINC000590029756 1073485126 /nfs/dbraw/zinc/48/51/26/1073485126.db2.gz YMPKRFUZBFNIPQ-UHFFFAOYSA-N 0 2 416.265 3.526 20 0 HHADLN CCSc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cn1 ZINC000590014960 1073509937 /nfs/dbraw/zinc/50/99/37/1073509937.db2.gz AJNXNSNNXYUJJG-UHFFFAOYSA-N 0 2 420.541 3.703 20 0 HHADLN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)c3c(O)cc(F)cc3F)C2)cc1 ZINC000590113045 1073560477 /nfs/dbraw/zinc/56/04/77/1073560477.db2.gz OVDNCZDBZKJVJL-AWEZNQCLSA-N 0 2 403.429 3.653 20 0 HHADLN O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000590405586 1073789836 /nfs/dbraw/zinc/78/98/36/1073789836.db2.gz WRRIIDLSVBPAHM-CQSZACIVSA-N 0 2 417.853 3.706 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1nccnc1-c1nc2ccccc2s1 ZINC000590501601 1073861477 /nfs/dbraw/zinc/86/14/77/1073861477.db2.gz NVYHTURYWXOBCF-UHFFFAOYSA-N 0 2 416.491 3.946 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cnn(-c4ccccc4Cl)c3)s[nH]2)c1 ZINC000590552892 1073890546 /nfs/dbraw/zinc/89/05/46/1073890546.db2.gz LNPANNWRAKQYHN-UHFFFAOYSA-N 0 2 411.874 3.727 20 0 HHADLN CC1CCN(Cc2csc(NS(=O)(=O)c3cccc4cnccc43)n2)CC1 ZINC000615181110 1074095084 /nfs/dbraw/zinc/09/50/84/1074095084.db2.gz DZFZJUBBJTVTKL-UHFFFAOYSA-N 0 2 402.545 3.724 20 0 HHADLN O=C1CCc2cc(S(=O)(=O)Nc3ncc(-c4ccccc4)s3)c(F)cc2N1 ZINC000615209531 1074117166 /nfs/dbraw/zinc/11/71/66/1074117166.db2.gz FVZYXLYMLAHXEC-UHFFFAOYSA-N 0 2 403.460 3.635 20 0 HHADLN CC[C@H](C)c1ccc(NC(=O)CS(=O)(=O)c2n[nH]c(-c3ccccc3F)n2)cc1 ZINC000573909027 1074673133 /nfs/dbraw/zinc/67/31/33/1074673133.db2.gz QZIZHFLXAFOMMG-ZDUSSCGKSA-N 0 2 416.478 3.537 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccc(N2CCOCC2)c(F)c1 ZINC000592611872 1074800728 /nfs/dbraw/zinc/80/07/28/1074800728.db2.gz AZIALIMHHZPSQV-UHFFFAOYSA-N 0 2 418.881 3.508 20 0 HHADLN COC(=O)c1cncc(S(=O)(=O)Nc2ccccc2O[C@@H](C)c2ccccc2)c1 ZINC000574626688 1075304981 /nfs/dbraw/zinc/30/49/81/1075304981.db2.gz CYDHAFDGWWALRU-HNNXBMFYSA-N 0 2 412.467 3.809 20 0 HHADLN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CC3CCCCC3)o2)cc1 ZINC000574753633 1075315453 /nfs/dbraw/zinc/31/54/53/1075315453.db2.gz JFHXOJSSFPRVQP-UHFFFAOYSA-N 0 2 420.535 3.978 20 0 HHADLN COc1cc(F)c(S(=O)(=O)[N-]c2ccc(-c3[nH+]cc4n3CCCC4)cc2)c(F)c1 ZINC000595129122 1075406213 /nfs/dbraw/zinc/40/62/13/1075406213.db2.gz CRQKVRKSHPARDD-UHFFFAOYSA-N 0 2 419.453 3.974 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1ccc(F)c(F)c1 ZINC000596534501 1075567845 /nfs/dbraw/zinc/56/78/45/1075567845.db2.gz HGQGWAOWJWCMRX-UHFFFAOYSA-N 0 2 401.797 3.803 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cccc(OCc2cccnc2)c1 ZINC000302955999 971417688 /nfs/dbraw/zinc/41/76/88/971417688.db2.gz PBRZBLBISDLJDC-UHFFFAOYSA-N 0 2 406.467 3.643 20 0 HHADLN O=C(Nc1ccc(F)cc1NS(=O)(=O)c1cc(F)cc(F)c1)c1ccccn1 ZINC000303139118 971524123 /nfs/dbraw/zinc/52/41/23/971524123.db2.gz LTFZVQYFKYQSHG-UHFFFAOYSA-N 0 2 407.373 3.552 20 0 HHADLN C[C@@H]1CN(Cc2csc(NS(=O)(=O)c3ccc4ccccc4c3)n2)C[C@H](C)O1 ZINC000524298579 1013110923 /nfs/dbraw/zinc/11/09/23/1013110923.db2.gz RFFCSNJJKWAMQN-GASCZTMLSA-N 0 2 417.556 3.706 20 0 HHADLN C[C@H](c1nccn1-c1ccccc1)S(=O)(=O)c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000553189779 1013149620 /nfs/dbraw/zinc/14/96/20/1013149620.db2.gz KGMVYFPUVFOSQC-CYBMUJFWSA-N 0 2 413.890 3.846 20 0 HHADLN Cc1c(S(=O)(=O)Nc2noc(-c3ccccc3)n2)cnn1-c1ccc(Cl)cc1 ZINC000537611539 1013152674 /nfs/dbraw/zinc/15/26/74/1013152674.db2.gz JBTSQLLYZKBGCY-UHFFFAOYSA-N 0 2 415.862 3.685 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccnn1-c1cccc(Cl)c1 ZINC000542221063 1013173666 /nfs/dbraw/zinc/17/36/66/1013173666.db2.gz PTBGENRYAUXTJO-UHFFFAOYSA-N 0 2 407.927 3.796 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)Nc2ccccc2)cc1 ZINC000003350972 960483554 /nfs/dbraw/zinc/48/35/54/960483554.db2.gz NSPLPWWKSGWKNH-UHFFFAOYSA-N 0 2 402.497 3.597 20 0 HHADLN COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 ZINC000003581467 960556580 /nfs/dbraw/zinc/55/65/80/960556580.db2.gz UIXIPMAUBORANL-UHFFFAOYSA-N 0 2 400.431 3.887 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N(C)Cc3nc4ccccc4s3)cc2[nH]c1=S ZINC000010288154 961785971 /nfs/dbraw/zinc/78/59/71/961785971.db2.gz ZLSNIQYSOWXWKW-UHFFFAOYSA-N 0 2 410.524 3.587 20 0 HHADLN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1n[nH]c(C(C)(C)C)n1 ZINC000012256655 962259802 /nfs/dbraw/zinc/25/98/02/962259802.db2.gz OURDYDRUWXSMHT-UHFFFAOYSA-N 0 2 424.548 3.582 20 0 HHADLN O=C(Nc1nccs1)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000014064120 962414646 /nfs/dbraw/zinc/41/46/46/962414646.db2.gz ZFHJZBWDYQOMDD-UHFFFAOYSA-N 0 2 409.876 3.555 20 0 HHADLN COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(F)cc(F)c1 ZINC000016154651 962965909 /nfs/dbraw/zinc/96/59/09/962965909.db2.gz BDMVESOAEACUEI-UHFFFAOYSA-N 0 2 411.348 3.810 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC(C)C)ccc1Cl ZINC000017172596 963166943 /nfs/dbraw/zinc/16/69/43/963166943.db2.gz ZDMDITYLISYWMT-UHFFFAOYSA-N 0 2 410.923 3.925 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccncc2)ccc1Cl ZINC000017585769 963212475 /nfs/dbraw/zinc/21/24/75/963212475.db2.gz PBLLVNUAWUFBHY-UHFFFAOYSA-N 0 2 417.874 3.797 20 0 HHADLN O=S(=O)(Nc1ccccc1-c1nnc2n1CCCCC2)c1ccc(F)cc1F ZINC000024345910 963981903 /nfs/dbraw/zinc/98/19/03/963981903.db2.gz OBETVXLHEQKPLI-UHFFFAOYSA-N 0 2 404.442 3.751 20 0 HHADLN CCC[C@@H](C)N1Cc2cccc(NS(=O)(=O)c3cnc4c(c3)c(C)nn4C)c2C1 ZINC000542517322 1013460035 /nfs/dbraw/zinc/46/00/35/1013460035.db2.gz BOJLOXHXCIDVQP-CQSZACIVSA-N 0 2 413.547 3.582 20 0 HHADLN CCC[C@@H](C)[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cnc4c(c3)c(C)nn4C)c2C1 ZINC000542517322 1013460044 /nfs/dbraw/zinc/46/00/44/1013460044.db2.gz BOJLOXHXCIDVQP-CQSZACIVSA-N 0 2 413.547 3.582 20 0 HHADLN CCC[C@@H](C)[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cnc4c(c3)c(C)nn4C)c2C1 ZINC000542517322 1013460051 /nfs/dbraw/zinc/46/00/51/1013460051.db2.gz BOJLOXHXCIDVQP-CQSZACIVSA-N 0 2 413.547 3.582 20 0 HHADLN N#C[C@H](C(=O)CCCc1c[nH]c2ccccc12)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049391419 964163595 /nfs/dbraw/zinc/16/35/95/964163595.db2.gz XRQFREFODDCKPR-GOSISDBHSA-N 0 2 411.469 3.878 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)N[C@H](C)CCCC(C)C)cc2[nH]c1=S ZINC000051202387 964491452 /nfs/dbraw/zinc/49/14/52/964491452.db2.gz XYDLPRVRCSQCDS-OAHLLOKOSA-N 0 2 405.564 3.666 20 0 HHADLN Cc1oc(-c2ccccc2)nc1C(=O)Nn1cnc2sc3c(c2c1=O)CCCC3 ZINC000026949760 964729324 /nfs/dbraw/zinc/72/93/24/964729324.db2.gz NUSBCIAFNPDXSQ-UHFFFAOYSA-N 0 2 406.467 3.684 20 0 HHADLN Cc1nc(-c2ccc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)cc2)oc1C ZINC000057120362 965292476 /nfs/dbraw/zinc/29/24/76/965292476.db2.gz ZOMQIJCDQQGRCD-UHFFFAOYSA-N 0 2 415.446 3.783 20 0 HHADLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000057121818 965294351 /nfs/dbraw/zinc/29/43/51/965294351.db2.gz ZNECKGMTEOADNI-UHFFFAOYSA-N 0 2 404.879 3.733 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)COc1ccccc1-2)c1ccc2c(c1)OCCCO2 ZINC000057689873 965523798 /nfs/dbraw/zinc/52/37/98/965523798.db2.gz CEZNYQZPYHYQAR-UHFFFAOYSA-N 0 2 416.480 3.665 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1[N+](=O)[O-] ZINC000057702406 965527359 /nfs/dbraw/zinc/52/73/59/965527359.db2.gz ARENIDRLFQMTPQ-UHFFFAOYSA-N 0 2 419.440 3.556 20 0 HHADLN CCOc1ccc(-c2nc(NS(=O)(=O)c3ccccc3OC)sc2C)cc1 ZINC000057721156 965531060 /nfs/dbraw/zinc/53/10/60/965531060.db2.gz XAADCMDSTGBUKZ-UHFFFAOYSA-N 0 2 404.513 3.749 20 0 HHADLN CCOc1ccc(-c2nc(NS(=O)(=O)c3ccc(C(C)=O)cc3)sc2C)cc1 ZINC000057721131 965531225 /nfs/dbraw/zinc/53/12/25/965531225.db2.gz SNJBUQFNMMHRFW-UHFFFAOYSA-N 0 2 416.524 3.943 20 0 HHADLN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(Cl)ccc2NC(C)=O)c1 ZINC000058495189 965755339 /nfs/dbraw/zinc/75/53/39/965755339.db2.gz DBRONZKTKRYJHF-UHFFFAOYSA-N 0 2 417.270 3.539 20 0 HHADLN CCCCCC/N=C1\NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1 ZINC000055117490 965760569 /nfs/dbraw/zinc/76/05/69/965760569.db2.gz LEXRIBNHTXBVFB-AWEZNQCLSA-N 0 2 412.353 3.946 20 0 HHADLN COc1ccccc1-c1n[nH]c(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)n1 ZINC000058773147 965891595 /nfs/dbraw/zinc/89/15/95/965891595.db2.gz QCIRAJPPJRNBNB-UHFFFAOYSA-N 0 2 408.849 3.880 20 0 HHADLN COc1ccccc1C(C)(C)C(=O)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000058782497 965896179 /nfs/dbraw/zinc/89/61/79/965896179.db2.gz XDDDMFDSQQQJMN-UHFFFAOYSA-N 0 2 408.454 3.606 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)N3CCCc4ccccc43)cc2[nH]c1=S ZINC000055527676 965899081 /nfs/dbraw/zinc/89/90/81/965899081.db2.gz XPHBTXSPQNWKDE-UHFFFAOYSA-N 0 2 409.511 3.689 20 0 HHADLN Cn1ccnc1Sc1ccc(NS(=O)(=O)c2c(Cl)nc3ccccn32)cc1 ZINC000055579411 965933713 /nfs/dbraw/zinc/93/37/13/965933713.db2.gz KKYHKGVFGUBIAZ-UHFFFAOYSA-N 0 2 419.919 3.673 20 0 HHADLN CCOc1cc(F)ccc1NS(=O)(=O)c1cc(Br)ccc1OC ZINC000055631923 965975865 /nfs/dbraw/zinc/97/58/65/965975865.db2.gz WQKPCMTVWFPQKL-UHFFFAOYSA-N 0 2 404.257 3.796 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)c1 ZINC000060065972 966057961 /nfs/dbraw/zinc/05/79/61/966057961.db2.gz MESQVNZRPBALQP-UHFFFAOYSA-N 0 2 406.435 3.852 20 0 HHADLN CC(C)CCn1c(SCC(=O)NOCc2ccccc2)nc2ccccc2c1=O ZINC000031616129 966067760 /nfs/dbraw/zinc/06/77/60/966067760.db2.gz LXUWQZPYOIFLTA-UHFFFAOYSA-N 0 2 411.527 3.783 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cncnc2-c2ccccc2)cc1Cl ZINC000542712850 1013625342 /nfs/dbraw/zinc/62/53/42/1013625342.db2.gz MCORSEUTWFMEIN-UHFFFAOYSA-N 0 2 402.863 3.556 20 0 HHADLN CCn1cc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)c(=O)c2cc(Cl)ccc21 ZINC000542716655 1013628912 /nfs/dbraw/zinc/62/89/12/1013628912.db2.gz DIMYHBJPAYVUFV-UHFFFAOYSA-N 0 2 416.915 3.929 20 0 HHADLN CC(C)(C)OC(=O)C1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)CC1 ZINC000542726189 1013637523 /nfs/dbraw/zinc/63/75/23/1013637523.db2.gz ADXAVEIVFZPGIA-UHFFFAOYSA-N 0 2 422.938 3.866 20 0 HHADLN COc1ccc(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc1OC ZINC000542727966 1013640244 /nfs/dbraw/zinc/64/02/44/1013640244.db2.gz WNAXNKIFTXYLGE-UHFFFAOYSA-N 0 2 404.879 3.619 20 0 HHADLN O=S(=O)(Nc1cccc2cccnc21)c1cc(Br)cc2c1OCC2 ZINC000542728437 1013640694 /nfs/dbraw/zinc/64/06/94/1013640694.db2.gz MJLULFUMOMWUQI-UHFFFAOYSA-N 0 2 405.273 3.733 20 0 HHADLN O=S(=O)(Nc1cccc(Cl)c1O)c1cc(Br)cc2c1OCC2 ZINC000542733932 1013646021 /nfs/dbraw/zinc/64/60/21/1013646021.db2.gz NTGAFUDOHKJCAS-UHFFFAOYSA-N 0 2 404.669 3.544 20 0 HHADLN Cc1cccn2cc(COc3ccc(C(=O)Nc4n[n-]c(C(F)(F)F)n4)cc3)[nH+]c12 ZINC000036714297 966443622 /nfs/dbraw/zinc/44/36/22/966443622.db2.gz RAQXLVPMQWWTEO-UHFFFAOYSA-N 0 2 416.363 3.611 20 0 HHADLN Cc1csc([C@H](C#N)C(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)n1 ZINC000041519161 966584498 /nfs/dbraw/zinc/58/44/98/966584498.db2.gz RREATJLOWXVECX-ZWNOBZJWSA-N 0 2 412.540 3.683 20 0 HHADLN N#C[C@H](C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1nc(-c2ccccc2)cs1 ZINC000041534939 966590679 /nfs/dbraw/zinc/59/06/79/966590679.db2.gz NVDBBYDMQGYIBV-YESZJQIVSA-N 0 2 407.495 3.552 20 0 HHADLN CC[C@H](C(=O)[C@@H](C#N)c1nc2ccccc2o1)n1nnc(-c2ccc(Cl)cc2)n1 ZINC000041541158 966591055 /nfs/dbraw/zinc/59/10/55/966591055.db2.gz IHXHANMNNCDYCX-GDBMZVCRSA-N 0 2 406.833 3.962 20 0 HHADLN COc1ccc(C(=O)N2CCCC2)cc1NS(=O)(=O)c1ccc(C)cc1Cl ZINC000062930007 966743406 /nfs/dbraw/zinc/74/34/06/966743406.db2.gz YUPRPMHJVAUMGM-UHFFFAOYSA-N 0 2 408.907 3.694 20 0 HHADLN CC(C)(C)c1ncc(C(=O)NNC(=S)Nc2cccc(Br)c2)s1 ZINC000063119757 966757052 /nfs/dbraw/zinc/75/70/52/966757052.db2.gz FEDNRDOSFSHZMQ-UHFFFAOYSA-N 0 2 413.366 3.835 20 0 HHADLN CCOc1ccc(NC(=S)NNC(=O)c2csc(-c3ccc(C)o3)n2)cc1 ZINC000042362276 966785632 /nfs/dbraw/zinc/78/56/32/966785632.db2.gz PCJIBFWTXKQLBK-UHFFFAOYSA-N 0 2 402.501 3.742 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NC[C@@H]2C[C@@H]2C)ccc1Cl ZINC000043114351 966909368 /nfs/dbraw/zinc/90/93/68/966909368.db2.gz KTKSRGUCGZPZFI-JSGCOSHPSA-N 0 2 408.907 3.535 20 0 HHADLN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2S(=O)(=O)C(C)C)cc1 ZINC000538133243 1013695192 /nfs/dbraw/zinc/69/51/92/1013695192.db2.gz RWFYNQAOOXWOIQ-UHFFFAOYSA-N 0 2 409.529 3.508 20 0 HHADLN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000064477507 967204492 /nfs/dbraw/zinc/20/44/92/967204492.db2.gz AUBNBSBHGALOAD-UHFFFAOYSA-N 0 2 424.478 3.835 20 0 HHADLN COc1ccc(CC/N=C2\NC(=O)C(CC(=O)Nc3cccc(Cl)c3)S2)cc1 ZINC000044827542 967297895 /nfs/dbraw/zinc/29/78/95/967297895.db2.gz CCNYQLIQKRSAMD-KRWDZBQOSA-N 0 2 417.918 3.508 20 0 HHADLN CO[C@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 ZINC000064938146 967331929 /nfs/dbraw/zinc/33/19/29/967331929.db2.gz BPICCMIZBYUQTG-MRVPVSSYSA-N 0 2 409.316 3.829 20 0 HHADLN NC(=O)Nc1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cc1 ZINC000065106024 967378538 /nfs/dbraw/zinc/37/85/38/967378538.db2.gz SQSLPVVPACDEHV-UHFFFAOYSA-N 0 2 400.236 3.582 20 0 HHADLN C=CCn1c(=O)c2ccc(C(=O)N(Cc3cccc(F)c3)C3CC3)cc2[nH]c1=S ZINC000045198750 967378891 /nfs/dbraw/zinc/37/88/91/967378891.db2.gz WJALAEXZZGTECS-UHFFFAOYSA-N 0 2 409.486 3.815 20 0 HHADLN O=C(Nc1ccc(F)c(S(=O)(=O)Nc2ccc(Br)cc2)c1)C1CC1 ZINC000045774881 967550107 /nfs/dbraw/zinc/55/01/07/967550107.db2.gz LGHTZDYHCMODIK-UHFFFAOYSA-N 0 2 413.268 3.738 20 0 HHADLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(N(C)C(=O)c2ccc(Cl)cc2)cc1 ZINC000065832693 968669671 /nfs/dbraw/zinc/66/96/71/968669671.db2.gz WAGDIGKNRDDYJT-UHFFFAOYSA-N 0 2 418.906 3.757 20 0 HHADLN COc1ccc2c(C)cc3nnc(SCc4nc(=O)c5sccc5[nH]4)n3c2c1 ZINC000068735266 968787877 /nfs/dbraw/zinc/78/78/77/968787877.db2.gz GDBFGFINSNRTMI-UHFFFAOYSA-N 0 2 409.496 3.790 20 0 HHADLN Cc1ccncc1NS(=O)(=O)c1cc(Br)ccc1Br ZINC000071414795 968852015 /nfs/dbraw/zinc/85/20/15/968852015.db2.gz PKCGETDMAZCUGW-UHFFFAOYSA-N 0 2 406.099 3.716 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3F)cc2[nH]c1=S ZINC000071807518 968858777 /nfs/dbraw/zinc/85/87/77/968858777.db2.gz QPOCTVRDGRTYTN-UHFFFAOYSA-N 0 2 421.881 3.767 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2[nH]c1=S ZINC000097039560 969082949 /nfs/dbraw/zinc/08/29/49/969082949.db2.gz AFGFXUOBOFFEAY-UHFFFAOYSA-N 0 2 411.527 3.899 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)cnc1Cl ZINC000097575785 969169986 /nfs/dbraw/zinc/16/99/86/969169986.db2.gz VXQWUIUFSKNGHA-UHFFFAOYSA-N 0 2 417.922 3.829 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCC3)ccc2F)cc1 ZINC000098066370 969188158 /nfs/dbraw/zinc/18/81/58/969188158.db2.gz RTKMUDNWSJIIII-UHFFFAOYSA-N 0 2 406.479 3.698 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccn(C2CCCC2)n1 ZINC000105937581 969274892 /nfs/dbraw/zinc/27/48/92/969274892.db2.gz RYHJMWOMYMQXOJ-UHFFFAOYSA-N 0 2 417.516 3.508 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1ccc(Cl)nc1Cl ZINC000110210473 969637443 /nfs/dbraw/zinc/63/74/43/969637443.db2.gz WBULQVCSWMJZGW-GFCCVEGCSA-N 0 2 413.286 3.917 20 0 HHADLN CC(C)c1ccc(C[NH+]2CCN(C(=O)c3nn(-c4ccccc4)cc3[O-])CC2)cc1 ZINC000216180102 970065657 /nfs/dbraw/zinc/06/56/57/970065657.db2.gz BUOZADQKUVFNPH-UHFFFAOYSA-N 0 2 404.514 3.659 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]3Cc3ccc(C)cc3)cc2[nH]c1=S ZINC000217180068 970083818 /nfs/dbraw/zinc/08/38/18/970083818.db2.gz LHOKFCFSXGXGQR-SFHVURJKSA-N 0 2 407.539 3.861 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000219883116 970094840 /nfs/dbraw/zinc/09/48/40/970094840.db2.gz NVKOKRMBGSMWHQ-MRXNPFEDSA-N 0 2 402.907 3.931 20 0 HHADLN Cc1ccc(N2C(=O)C[C@H](C(=O)NO[C@H]3CCCCO3)[C@@H]2c2cccs2)cc1 ZINC000228426661 970125054 /nfs/dbraw/zinc/12/50/54/970125054.db2.gz MWMTZDOWORVRRA-FFZOFVMBSA-N 0 2 400.500 3.725 20 0 HHADLN CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000236719667 970162272 /nfs/dbraw/zinc/16/22/72/970162272.db2.gz BAJXWAWSVWEQIB-GOSISDBHSA-N 0 2 420.531 3.607 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)OC[C@H](C#N)Cc3ccc(F)cc3)cc2[nH]c1=S ZINC000143427202 970195527 /nfs/dbraw/zinc/19/55/27/970195527.db2.gz ZQQRQQYMVPLGRI-AWEZNQCLSA-N 0 2 411.458 3.757 20 0 HHADLN O=C(Nc1cccnc1-n1cccn1)c1[nH]nc(-c2ccccc2)c1Br ZINC000150190067 970432833 /nfs/dbraw/zinc/43/28/33/970432833.db2.gz VBAQJUCBUIKMOV-UHFFFAOYSA-N 0 2 409.247 3.672 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000195596970 970539065 /nfs/dbraw/zinc/53/90/65/970539065.db2.gz FFRFSQFPJFRRAE-GFCCVEGCSA-N 0 2 404.492 3.502 20 0 HHADLN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)Nc1cccc2c1ccn2C ZINC000554681812 1014011205 /nfs/dbraw/zinc/01/12/05/1014011205.db2.gz KYWFSBBYUVMTRF-UHFFFAOYSA-N 0 2 407.879 3.600 20 0 HHADLN CNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCc2ccc(Cl)cc2)C1=O ZINC000254903815 970582185 /nfs/dbraw/zinc/58/21/85/970582185.db2.gz YMNDVUKVWAXZCC-QGZVFWFLSA-N 0 2 401.919 3.650 20 0 HHADLN C[C@H]1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccccc2Cl)c3=O)C1 ZINC000261383846 970640071 /nfs/dbraw/zinc/64/00/71/970640071.db2.gz IDXRZRBZONBWOI-ZDUSSCGKSA-N 0 2 413.930 3.869 20 0 HHADLN O=C1CCCN1c1ccccc1NS(=O)(=O)c1ccc(Br)cc1F ZINC000326515228 972743582 /nfs/dbraw/zinc/74/35/82/972743582.db2.gz SSRIMLHFABHMMF-UHFFFAOYSA-N 0 2 413.268 3.516 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(Br)cc1C ZINC000389261096 972811973 /nfs/dbraw/zinc/81/19/73/972811973.db2.gz ORFOYBWIHVWCTI-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN COc1ccc(NS(=O)(=O)c2c(Cl)nc3ccccn32)cc1Br ZINC000390873388 972832438 /nfs/dbraw/zinc/83/24/38/972832438.db2.gz KMZCIFFXWVTYNJ-UHFFFAOYSA-N 0 2 416.684 3.560 20 0 HHADLN CNC(=O)c1ccc(C)c(NS(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000391910798 972845588 /nfs/dbraw/zinc/84/55/88/972845588.db2.gz PKGBMDIOZQOLCU-UHFFFAOYSA-N 0 2 417.712 3.571 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cccc(C(N)=O)c2)sc1Cc1ccccc1Cl ZINC000409514502 972969356 /nfs/dbraw/zinc/96/93/56/972969356.db2.gz BBTQLGMQOIASMK-UHFFFAOYSA-N 0 2 421.931 3.595 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cccc3c2OCCO3)sc1Cc1cccc(F)c1 ZINC000409521487 972977240 /nfs/dbraw/zinc/97/72/40/972977240.db2.gz OJSHCFMMUOTZRL-UHFFFAOYSA-N 0 2 420.487 3.753 20 0 HHADLN CC[C@H]1CCc2nc(NS(=O)(=O)c3cc4c(cc3Cl)OCCO4)sc2C1 ZINC000409537077 972992840 /nfs/dbraw/zinc/99/28/40/972992840.db2.gz QYLNFCBUIPVRMT-JTQLQIEISA-N 0 2 414.936 3.883 20 0 HHADLN COC(=O)c1csc(S(=O)(=O)Nc2nc(C)c(Cc3cccc(C)c3)s2)c1 ZINC000409541566 972997212 /nfs/dbraw/zinc/99/72/12/972997212.db2.gz UYOFEIBCUQJNDY-UHFFFAOYSA-N 0 2 422.553 4.000 20 0 HHADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc2c(s1)CCCCCC2 ZINC000409549736 973006249 /nfs/dbraw/zinc/00/62/49/973006249.db2.gz CSRKXILFVPEAEI-UHFFFAOYSA-N 0 2 409.533 3.570 20 0 HHADLN COc1ccc(Cn2ncc(C)c2NS(=O)(=O)c2ccccc2Cl)cc1OC ZINC000409570723 973020028 /nfs/dbraw/zinc/02/00/28/973020028.db2.gz NGJPKLBVJSQKNV-UHFFFAOYSA-N 0 2 421.906 3.711 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cn1 ZINC000409583847 973033466 /nfs/dbraw/zinc/03/34/66/973033466.db2.gz WNAZSQWPDOWJOV-UHFFFAOYSA-N 0 2 416.450 3.770 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cc(C)nn1-c1ccccc1F ZINC000409595811 973043520 /nfs/dbraw/zinc/04/35/20/973043520.db2.gz BGGVTQDPEKADLT-UHFFFAOYSA-N 0 2 423.853 3.561 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2F)cc1OCC ZINC000409601183 973048580 /nfs/dbraw/zinc/04/85/80/973048580.db2.gz PANVHSMUHVFDQN-UHFFFAOYSA-N 0 2 419.478 3.918 20 0 HHADLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3cc(F)ccc3C(=O)OC)sc2C1 ZINC000409663113 973117753 /nfs/dbraw/zinc/11/77/53/973117753.db2.gz DNOHIPBXGMHKNO-LLVKDONJSA-N 0 2 412.508 3.775 20 0 HHADLN COc1ccccc1-n1ncc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)c1C ZINC000409737134 973211536 /nfs/dbraw/zinc/21/15/36/973211536.db2.gz AKIROEDZPFPYJC-UHFFFAOYSA-N 0 2 410.384 3.505 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccccc2N(C)C2CCCC2)cnn1-c1ccccn1 ZINC000410331604 973906467 /nfs/dbraw/zinc/90/64/67/973906467.db2.gz BJPAGHFAQHIGTP-UHFFFAOYSA-N 0 2 411.531 3.755 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3cc([C@@H]4CCCOC4)nn3C)c2)n1 ZINC000410335703 973915327 /nfs/dbraw/zinc/91/53/27/973915327.db2.gz VZRSNAXRRFXWFX-OAHLLOKOSA-N 0 2 418.544 3.547 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3nnc(C(F)(F)F)s3)c2)n1 ZINC000410349947 973937293 /nfs/dbraw/zinc/93/72/93/973937293.db2.gz CNPQXNMEVSGBEL-UHFFFAOYSA-N 0 2 406.436 3.790 20 0 HHADLN COc1cccc(CSC[C@H]([NH2+]Cc2ccc(Br)o2)C(=O)[O-])c1 ZINC000426714751 974611418 /nfs/dbraw/zinc/61/14/18/974611418.db2.gz FGVBFNVWKLCMQB-AWEZNQCLSA-N 0 2 400.294 3.527 20 0 HHADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CC[C@]2(C1)CCc1ccccc1O2 ZINC000426721421 974615666 /nfs/dbraw/zinc/61/56/66/974615666.db2.gz BMBFWNFWPHJSBJ-QFIPXVFZSA-N 0 2 409.873 3.841 20 0 HHADLN COc1cccc(CSC[C@@H]([NH2+]Cc2csc(-c3ccccn3)n2)C(=O)[O-])c1 ZINC000426753646 974636643 /nfs/dbraw/zinc/63/66/43/974636643.db2.gz JVTUTAMTLQSSSJ-GOSISDBHSA-N 0 2 415.540 3.690 20 0 HHADLN COc1ccc(C[NH2+][C@@H](CC(=O)[O-])c2ccc(F)cc2F)c(Br)c1O ZINC000426826802 974692055 /nfs/dbraw/zinc/69/20/55/974692055.db2.gz PSBIJJAXCVLCDX-ZDUSSCGKSA-N 0 2 416.218 3.747 20 0 HHADLN COCCOc1cccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 ZINC000427136526 974932543 /nfs/dbraw/zinc/93/25/43/974932543.db2.gz NSGWYSLXWYSCJL-UHFFFAOYSA-N 0 2 409.357 3.550 20 0 HHADLN CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c1 ZINC000427138132 974934282 /nfs/dbraw/zinc/93/42/82/974934282.db2.gz WFQHXQRDQNBJHZ-UHFFFAOYSA-N 0 2 406.357 3.792 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C)c1 ZINC000427260402 975010340 /nfs/dbraw/zinc/01/03/40/975010340.db2.gz MLDBOWAMEIQVOG-UHFFFAOYSA-N 0 2 413.927 3.869 20 0 HHADLN Cc1nc2ccc(S(=O)(=O)Nc3cnn(-c4cnc5ccccc5n4)c3)cc2s1 ZINC000427290418 975028893 /nfs/dbraw/zinc/02/88/93/975028893.db2.gz VDVKXIMCBOLDIL-UHFFFAOYSA-N 0 2 422.495 3.534 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N2CC[C@H](C)C(F)(F)C2)cc1 ZINC000427545486 975175132 /nfs/dbraw/zinc/17/51/32/975175132.db2.gz GGPJUYICNNHWNT-ZDUSSCGKSA-N 0 2 414.499 3.975 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2c(C)cnn2-c2ccccc2)c1 ZINC000427752170 975268252 /nfs/dbraw/zinc/26/82/52/975268252.db2.gz LEUDPOMPBMGLNT-UHFFFAOYSA-N 0 2 419.890 3.812 20 0 HHADLN Cn1nc(CC(C)(C)C)cc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1F ZINC000427761835 975274529 /nfs/dbraw/zinc/27/45/29/975274529.db2.gz RWXUKWUCKVPONL-UHFFFAOYSA-N 0 2 409.405 3.847 20 0 HHADLN Cc1nc2ccc(S(=O)(=O)Nc3noc(COc4ccc(F)cc4)n3)cc2s1 ZINC000427780934 975284392 /nfs/dbraw/zinc/28/43/92/975284392.db2.gz OOJJCTXIPAWTJB-UHFFFAOYSA-N 0 2 420.447 3.507 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1cnc(OCc2ccccc2)cn1 ZINC000428904756 976206655 /nfs/dbraw/zinc/20/66/55/976206655.db2.gz GQPRUSZDOMPBNS-UHFFFAOYSA-N 0 2 423.885 3.902 20 0 HHADLN O=S(=O)(Nc1noc(-c2ccccc2Cl)n1)c1ccc(C(F)(F)F)nc1 ZINC000430055535 977300621 /nfs/dbraw/zinc/30/06/21/977300621.db2.gz CXSOGENNAZGCQV-UHFFFAOYSA-N 0 2 404.757 3.605 20 0 HHADLN CCCc1nnc(NS(=O)(=O)c2ccc(Br)c(Cl)c2Cl)o1 ZINC000430076129 977309384 /nfs/dbraw/zinc/30/93/84/977309384.db2.gz CXIHNDCZPNYPET-UHFFFAOYSA-N 0 2 415.096 3.892 20 0 HHADLN O=C(NCc1cccc(CO)c1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430552663 977628164 /nfs/dbraw/zinc/62/81/64/977628164.db2.gz NNZPXXFSXLIVGA-UHFFFAOYSA-N 0 2 400.434 3.743 20 0 HHADLN O=C(NCc1ccc(CO)c(F)c1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430586697 977645321 /nfs/dbraw/zinc/64/53/21/977645321.db2.gz XBHUYRDJPQUBTA-UHFFFAOYSA-N 0 2 418.424 3.882 20 0 HHADLN Cc1nn(C)c(C)c1CNC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430596725 977650187 /nfs/dbraw/zinc/65/01/87/977650187.db2.gz KCNMYWLHWYTFML-UHFFFAOYSA-N 0 2 402.454 3.601 20 0 HHADLN COC(=O)[C@H]1CCN(C(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)C[C@H]1C ZINC000430627546 977659777 /nfs/dbraw/zinc/65/97/77/977659777.db2.gz MGGFBGJDGYPQEE-QAPCUYQASA-N 0 2 420.465 3.592 20 0 HHADLN COc1cccc(CNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)n1 ZINC000430649022 977667943 /nfs/dbraw/zinc/66/79/43/977667943.db2.gz RTNAEMDVCUPYST-UHFFFAOYSA-N 0 2 401.422 3.654 20 0 HHADLN CC1(C)[C@H](NC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)[C@@H]2CCO[C@H]21 ZINC000430663466 977675052 /nfs/dbraw/zinc/67/50/52/977675052.db2.gz JRTXLQLBTHAXOO-KNXBSLHKSA-N 0 2 404.466 3.864 20 0 HHADLN Cc1ccc(Br)cc1S(=O)(=O)Nc1nnc(-c2ccc(F)cc2)o1 ZINC000430667532 977678570 /nfs/dbraw/zinc/67/85/70/977678570.db2.gz FOFSFBLHBFHMMB-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)NC(C)(C)C)c2)s1 ZINC000431183779 978082050 /nfs/dbraw/zinc/08/20/50/978082050.db2.gz RQAIXUNERSMDLF-UHFFFAOYSA-N 0 2 416.590 3.551 20 0 HHADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3cnn(-c4ccccc4)c3)s2)c(C)c1 ZINC000431314163 978198762 /nfs/dbraw/zinc/19/87/62/978198762.db2.gz SLEQZMHBACYPMX-UHFFFAOYSA-N 0 2 411.512 3.808 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1OC ZINC000431314449 978198900 /nfs/dbraw/zinc/19/89/00/978198900.db2.gz UCKFBVXNRKYHNY-UHFFFAOYSA-N 0 2 411.892 3.677 20 0 HHADLN O=S(=O)(Nc1nnc(SCc2cccs2)s1)c1cc(F)cc(F)c1 ZINC000431319559 978205170 /nfs/dbraw/zinc/20/51/70/978205170.db2.gz SGPGPCQFBRGRGM-UHFFFAOYSA-N 0 2 405.498 3.971 20 0 HHADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)s2)c(C)c1 ZINC000431323764 978208579 /nfs/dbraw/zinc/20/85/79/978208579.db2.gz PSFYZKSOWXYYHO-ZDUSSCGKSA-N 0 2 401.513 3.946 20 0 HHADLN O=S(=O)(Nc1nnc(C(F)(F)F)s1)c1ccc(Br)cc1Cl ZINC000431325935 978211210 /nfs/dbraw/zinc/21/12/10/978211210.db2.gz KWDTZVMQFDHUOO-UHFFFAOYSA-N 0 2 422.635 3.774 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(OC)c(OC)c2)cnn1-c1ccccc1C ZINC000432045574 978659681 /nfs/dbraw/zinc/65/96/81/978659681.db2.gz AZRJJMDSSOSHDF-UHFFFAOYSA-N 0 2 415.515 3.951 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(C(=O)OC)cc2)cnn1-c1ccc(F)cc1 ZINC000432073094 978669456 /nfs/dbraw/zinc/66/94/56/978669456.db2.gz BIWANMMAGQKYIR-UHFFFAOYSA-N 0 2 417.462 3.551 20 0 HHADLN O=C(NC[C@H]1CCC(F)(F)C1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000432200987 978711093 /nfs/dbraw/zinc/71/10/93/978711093.db2.gz CWKRZSZRZBZHLO-NSHDSACASA-N 0 2 416.475 3.501 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C)Cc2ccccc2N2CCCC2)=N1 ZINC000432280633 978741927 /nfs/dbraw/zinc/74/19/27/978741927.db2.gz SKSQYNVRUAYWFD-UHFFFAOYSA-N 0 2 408.477 3.898 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2cnccc2-c2ccccc2)c1 ZINC000432345646 978769594 /nfs/dbraw/zinc/76/95/94/978769594.db2.gz HXNQBCNCJUMWHF-UHFFFAOYSA-N 0 2 400.431 3.865 20 0 HHADLN O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)c1 ZINC000432349758 978771667 /nfs/dbraw/zinc/77/16/67/978771667.db2.gz BAGUZNNSAYICSW-UHFFFAOYSA-N 0 2 417.487 3.642 20 0 HHADLN CCSc1nnc(NS(=O)(=O)c2ccc(Cl)c(Br)c2)s1 ZINC000432359678 978776929 /nfs/dbraw/zinc/77/69/29/978776929.db2.gz TWKXTHFRGBCCRT-UHFFFAOYSA-N 0 2 414.759 3.867 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2ccccc2OC(F)(F)F)sc1C1CC1 ZINC000432364682 978779205 /nfs/dbraw/zinc/77/92/05/978779205.db2.gz LBMAHZOVMZXHTD-UHFFFAOYSA-N 0 2 422.406 3.507 20 0 HHADLN COC(=O)c1cccc(CS(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)c1 ZINC000432366312 978780173 /nfs/dbraw/zinc/78/01/73/978780173.db2.gz AADYXNLOFHGQEL-UHFFFAOYSA-N 0 2 406.460 3.678 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)sc1C1CC1 ZINC000432366905 978780210 /nfs/dbraw/zinc/78/02/10/978780210.db2.gz HOZSFSLSINICIG-UHFFFAOYSA-N 0 2 424.397 3.766 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ncc(-c3ccc(F)cc3)s2)ccc1OC ZINC000432369413 978781443 /nfs/dbraw/zinc/78/14/43/978781443.db2.gz VHLCFAJIUHQVLT-UHFFFAOYSA-N 0 2 422.459 3.545 20 0 HHADLN O=S(=O)(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1cncc(Cl)c1 ZINC000432531981 978868660 /nfs/dbraw/zinc/86/86/60/978868660.db2.gz SHZUDMGLATWPCV-HNNXBMFYSA-N 0 2 406.920 3.856 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)c1C ZINC000432532902 978869250 /nfs/dbraw/zinc/86/92/50/978869250.db2.gz WGBIYPSEQPDBTJ-MRXNPFEDSA-N 0 2 417.560 3.640 20 0 HHADLN O=S(=O)(Nc1nnc([C@H]2CCCc3ccccc32)s1)c1ccc2c(c1)CCO2 ZINC000432539025 978873004 /nfs/dbraw/zinc/87/30/04/978873004.db2.gz SHFGYDNVEBLWFR-KRWDZBQOSA-N 0 2 413.524 3.742 20 0 HHADLN Cc1nc(-c2ccc(NS(=O)(=O)c3cnc4c(Cl)c(C)nn4c3)cc2)cs1 ZINC000432750725 978958826 /nfs/dbraw/zinc/95/88/26/978958826.db2.gz NDJJAQJBDBMDGG-UHFFFAOYSA-N 0 2 419.919 3.924 20 0 HHADLN O=S(=O)(Nc1noc(Cc2ccccc2)n1)c1ccc(F)cc1C(F)(F)F ZINC000432947133 979019583 /nfs/dbraw/zinc/01/95/83/979019583.db2.gz BZBPSCUCLXMDHT-UHFFFAOYSA-N 0 2 401.341 3.619 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(Cc3ccsc3)o2)cc1C(C)C ZINC000432957288 979023651 /nfs/dbraw/zinc/02/36/51/979023651.db2.gz DHNXMATZRBWLAA-UHFFFAOYSA-N 0 2 407.517 3.963 20 0 HHADLN Cc1cccc(S(=O)(=O)Nc2nccc(-c3cncc(F)c3)n2)c1Br ZINC000433114591 979079852 /nfs/dbraw/zinc/07/98/52/979079852.db2.gz HPOXSUIZQNSNOY-UHFFFAOYSA-N 0 2 423.267 3.549 20 0 HHADLN CC(C)n1nc(-c2ccco2)cc1[N-]S(=O)(=O)c1ccccc1Cn1cc[nH+]c1 ZINC000433119938 979082747 /nfs/dbraw/zinc/08/27/47/979082747.db2.gz WYAVUMSAJHNMBE-UHFFFAOYSA-N 0 2 411.487 3.770 20 0 HHADLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)c1 ZINC000433134933 979092549 /nfs/dbraw/zinc/09/25/49/979092549.db2.gz SMPGBYLWBJXIJR-UHFFFAOYSA-N 0 2 403.460 3.620 20 0 HHADLN Cc1cnc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)nc1-c1ccccc1 ZINC000433149523 979100017 /nfs/dbraw/zinc/10/00/17/979100017.db2.gz JJEBWVCWJDAHNK-UHFFFAOYSA-N 0 2 403.467 3.710 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)c1C ZINC000433403014 979278520 /nfs/dbraw/zinc/27/85/20/979278520.db2.gz LIDKQJQLCZDYNR-UHFFFAOYSA-N 0 2 413.908 3.872 20 0 HHADLN CN(C)C(=O)c1ccc(NS(=O)(=O)c2cc(Br)sc2Cl)cc1 ZINC000433604570 979419133 /nfs/dbraw/zinc/41/91/33/979419133.db2.gz RVZRYYLNEHUCAT-UHFFFAOYSA-N 0 2 423.741 3.667 20 0 HHADLN CC(C)n1nc(-c2ccco2)cc1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000433902891 979663827 /nfs/dbraw/zinc/66/38/27/979663827.db2.gz ZXTSIDREYLQWEA-UHFFFAOYSA-N 0 2 421.461 3.743 20 0 HHADLN Cc1nc2c(s1)[C@@H](N(C)C(=O)C1=NN(c3ccc(F)cc3C)CC1=O)CCC2 ZINC000434258275 980022706 /nfs/dbraw/zinc/02/27/06/980022706.db2.gz CLMIPAKZYWPTJN-INIZCTEOSA-N 0 2 400.479 3.940 20 0 HHADLN Cc1c(Br)cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(=O)n1C ZINC000434368210 980117614 /nfs/dbraw/zinc/11/76/14/980117614.db2.gz UOGYDLLRBWQPAY-UHFFFAOYSA-N 0 2 406.063 3.721 20 0 HHADLN CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cc(-c4cc(C)c(C)cc4C)n[nH]3)cc21 ZINC000434968103 980538309 /nfs/dbraw/zinc/53/83/09/980538309.db2.gz KEJJELUWBDEZIS-UHFFFAOYSA-N 0 2 424.526 3.712 20 0 HHADLN Cc1cc(C)c(-c2cc(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)[nH]n2)cc1C ZINC000434970028 980540432 /nfs/dbraw/zinc/54/04/32/980540432.db2.gz WHRHSNKTGDGMGM-UHFFFAOYSA-N 0 2 408.483 3.644 20 0 HHADLN O=S(=O)(Nc1ccccc1O[C@H]1CCOC1)c1cc(F)ccc1Br ZINC000435140854 980672715 /nfs/dbraw/zinc/67/27/15/980672715.db2.gz WCWXUKPEGZDHPT-LBPRGKRZSA-N 0 2 416.268 3.557 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(Sc2ccncc2)cc1 ZINC000435147165 980678479 /nfs/dbraw/zinc/67/84/79/980678479.db2.gz UEYYIUMIJHQTPL-UHFFFAOYSA-N 0 2 418.471 3.959 20 0 HHADLN O=S(=O)(Nc1ccc2c(c1)nc1n2CCCCC1)c1cnn(-c2ccccc2)c1 ZINC000435200572 980717793 /nfs/dbraw/zinc/71/77/93/980717793.db2.gz IOSKCNUABJFZCN-UHFFFAOYSA-N 0 2 407.499 3.749 20 0 HHADLN O=C1C[C@@H](c2cccc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)c2)CN1 ZINC000435486615 980897422 /nfs/dbraw/zinc/89/74/22/980897422.db2.gz IZLGRGOKQQKAQH-SNVBAGLBSA-N 0 2 403.262 3.537 20 0 HHADLN Cn1cnnc1-c1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1 ZINC000435506961 980908103 /nfs/dbraw/zinc/90/81/03/980908103.db2.gz XZYFCYKBUZQBTO-UHFFFAOYSA-N 0 2 401.250 3.729 20 0 HHADLN COc1cc(C)c(NS(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)cc1C ZINC000435715255 980998056 /nfs/dbraw/zinc/99/80/56/980998056.db2.gz PAXJOODRODYTOU-UHFFFAOYSA-N 0 2 424.588 3.879 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1cnc(-c2ccccc2)nc1 ZINC000436016249 981156818 /nfs/dbraw/zinc/15/68/18/981156818.db2.gz KGHXILAQLFBRKO-IBGZPJMESA-N 0 2 421.482 3.672 20 0 HHADLN COCCOc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)ccc1OC ZINC000436023744 981162916 /nfs/dbraw/zinc/16/29/16/981162916.db2.gz WNMOAYUOSWBVRB-UHFFFAOYSA-N 0 2 423.384 3.679 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cc(F)ccc2C)c(OC)cc1Br ZINC000436025315 981164243 /nfs/dbraw/zinc/16/42/43/981164243.db2.gz LZDPAWIWVPAGFG-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN CC(=O)Nc1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1Cl ZINC000436024970 981164419 /nfs/dbraw/zinc/16/44/19/981164419.db2.gz FJYVVPQRJVALQS-UHFFFAOYSA-N 0 2 402.863 3.556 20 0 HHADLN Cc1cc(Br)cc(C)c1S(=O)(=O)Nc1cnn(C)c1C(F)(F)F ZINC000436183057 981239570 /nfs/dbraw/zinc/23/95/70/981239570.db2.gz IKEXDWRRCWNIKV-UHFFFAOYSA-N 0 2 412.231 3.619 20 0 HHADLN CC(C)[C@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cccnc1 ZINC000436207542 981249973 /nfs/dbraw/zinc/24/99/73/981249973.db2.gz IPFXFBDRQLZTMU-KRWDZBQOSA-N 0 2 416.528 3.717 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)Nc1ccc(OC)nc1C ZINC000436519918 981414398 /nfs/dbraw/zinc/41/43/98/981414398.db2.gz SEIAKNWAMFADOA-SFHVURJKSA-N 0 2 423.517 3.643 20 0 HHADLN CCN(CCOc1ccc(Br)cc1)C(=O)c1cc(F)c(O)c(F)c1 ZINC000436521117 981415127 /nfs/dbraw/zinc/41/51/27/981415127.db2.gz BXLZSWSOLMIMQA-UHFFFAOYSA-N 0 2 400.219 3.974 20 0 HHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000436522786 981415959 /nfs/dbraw/zinc/41/59/59/981415959.db2.gz OAUXRRJXRVKIRT-UHFFFAOYSA-N 0 2 414.452 3.714 20 0 HHADLN CCOC(=O)[C@@H](Cc1cc(Cl)cc(Cl)c1)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000436524086 981416734 /nfs/dbraw/zinc/41/67/34/981416734.db2.gz YEJLSMWFABPOFY-OAHLLOKOSA-N 0 2 418.223 3.881 20 0 HHADLN CS(=O)(=O)c1cccc([C@@H](NC(=O)c2cc(F)c(O)c(F)c2)c2ccccc2)c1 ZINC000436525124 981418519 /nfs/dbraw/zinc/41/85/19/981418519.db2.gz MLLLQLPMPQTOAO-IBGZPJMESA-N 0 2 417.433 3.593 20 0 HHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000436526622 981418961 /nfs/dbraw/zinc/41/89/61/981418961.db2.gz AQALXLHDCUCXKF-QGZVFWFLSA-N 0 2 406.816 3.912 20 0 HHADLN COC(=O)c1occc1CN(C(=O)c1cc(F)c(O)c(F)c1)[C@@H](C)c1ccccn1 ZINC000436534161 981425041 /nfs/dbraw/zinc/42/50/41/981425041.db2.gz KBOAGHDLKBCMED-LBPRGKRZSA-N 0 2 416.380 3.849 20 0 HHADLN Cc1noc(C)c1NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000436537121 981427438 /nfs/dbraw/zinc/42/74/38/981427438.db2.gz FUQGOUKKLYKSEM-UHFFFAOYSA-N 0 2 421.862 3.704 20 0 HHADLN O=C(Nc1cc(Br)ccc1N1CCOCC1)c1cc(F)c(O)c(F)c1 ZINC000436539032 981428786 /nfs/dbraw/zinc/42/87/86/981428786.db2.gz XKNONQMIWUTDJK-UHFFFAOYSA-N 0 2 413.218 3.522 20 0 HHADLN O=C(Nc1ccccc1O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000436555258 981441152 /nfs/dbraw/zinc/44/11/52/981441152.db2.gz KNJLOSQENFRVDZ-UHFFFAOYSA-N 0 2 418.858 3.804 20 0 HHADLN CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436566326 981448770 /nfs/dbraw/zinc/44/87/70/981448770.db2.gz PJXIIBPJDFSWTQ-SJORKVTESA-N 0 2 417.889 3.895 20 0 HHADLN O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cc(F)c(O)c(F)c1 ZINC000436626774 981482081 /nfs/dbraw/zinc/48/20/81/981482081.db2.gz KMEZDENIYBFASC-UHFFFAOYSA-N 0 2 422.384 3.863 20 0 HHADLN Cc1cnc(N2CCN(C(=O)c3cc(Cl)cc(Br)c3O)CC2)s1 ZINC000436635280 981485694 /nfs/dbraw/zinc/48/56/94/981485694.db2.gz OPKGGJYCAIRSGV-UHFFFAOYSA-N 0 2 416.728 3.535 20 0 HHADLN COC(=O)c1cc(CN(C)C(=O)c2cc(Cl)cc(Br)c2O)oc1C ZINC000436639722 981488947 /nfs/dbraw/zinc/48/89/47/981488947.db2.gz QQLIPOAORSTNEY-UHFFFAOYSA-N 0 2 416.655 3.768 20 0 HHADLN O=C(Nc1ccc2c(c1)CCO2)c1cccc(C(=O)Nc2ccc3c(c2)CCO3)c1O ZINC000436688420 981513375 /nfs/dbraw/zinc/51/33/75/981513375.db2.gz NZEIEEZYEUMQFK-UHFFFAOYSA-N 0 2 416.433 3.767 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCC[C@@](CO)(c2ccccc2)C1 ZINC000436738313 981538925 /nfs/dbraw/zinc/53/89/25/981538925.db2.gz SQKJZEFUVMWIDC-LJQANCHMSA-N 0 2 424.722 3.974 20 0 HHADLN C[C@H](NC(=O)c1cc(F)cc(Cl)c1O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000436772884 981555661 /nfs/dbraw/zinc/55/56/61/981555661.db2.gz NADSCMJTOFSBHZ-LBPRGKRZSA-N 0 2 405.857 3.542 20 0 HHADLN C[N@@H+]1CCc2nc(NC(=O)c3cc(Br)cc(Cl)c3[O-])sc2C1 ZINC000436779744 981558080 /nfs/dbraw/zinc/55/80/80/981558080.db2.gz YACBNBIOZOGCEJ-UHFFFAOYSA-N 0 2 402.701 3.505 20 0 HHADLN C[N@H+]1CCc2nc(NC(=O)c3cc(Br)cc(Cl)c3[O-])sc2C1 ZINC000436779744 981558082 /nfs/dbraw/zinc/55/80/82/981558082.db2.gz YACBNBIOZOGCEJ-UHFFFAOYSA-N 0 2 402.701 3.505 20 0 HHADLN O=C(NCc1nc(CNC(=O)c2cc(F)cc(Cl)c2O)cs1)c1ccccc1 ZINC000436791529 981563559 /nfs/dbraw/zinc/56/35/59/981563559.db2.gz JXAYPUXQSCWOGS-UHFFFAOYSA-N 0 2 419.865 3.501 20 0 HHADLN CC[C@@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)C[C@H](C)S1(=O)=O ZINC000436794960 981565781 /nfs/dbraw/zinc/56/57/81/981565781.db2.gz DFMKWTPJJRCICC-XJKSGUPXSA-N 0 2 407.919 3.750 20 0 HHADLN CCCC(=O)Nc1ccc(CNC(=O)c2cc(F)cc(Br)c2O)cc1 ZINC000436844728 981586689 /nfs/dbraw/zinc/58/66/89/981586689.db2.gz AFTQXOBDJRQETN-UHFFFAOYSA-N 0 2 409.255 3.962 20 0 HHADLN O=C(NCCc1nccn1Cc1ccccc1)c1cc(F)cc(Br)c1O ZINC000436846553 981587122 /nfs/dbraw/zinc/58/71/22/981587122.db2.gz HSINWEAACAHTGD-UHFFFAOYSA-N 0 2 418.266 3.511 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCC(n2cc(Cl)cn2)CC1 ZINC000436847327 981587908 /nfs/dbraw/zinc/58/79/08/981587908.db2.gz DWWVZYOSFMRTKB-UHFFFAOYSA-N 0 2 402.651 3.621 20 0 HHADLN COc1ccc(NC(=O)c2cc(F)cc(Br)c2O)cc1N1CCCC1=O ZINC000436849895 981589568 /nfs/dbraw/zinc/58/95/68/981589568.db2.gz VYWZZWHIXOOZSK-UHFFFAOYSA-N 0 2 423.238 3.682 20 0 HHADLN Cc1cc([C@H]2CN(C(=O)c3cc(F)cc(Br)c3O)CCO2)ccc1F ZINC000436850323 981589850 /nfs/dbraw/zinc/58/98/50/981589850.db2.gz HJSWWBWOVFHSTF-MRXNPFEDSA-N 0 2 412.230 3.955 20 0 HHADLN C[C@@H](NC(=O)c1cc(F)cc(Br)c1O)c1noc(Cc2ccccc2)n1 ZINC000436850248 981590101 /nfs/dbraw/zinc/59/01/01/981590101.db2.gz GVEHLERKSLFQDS-SNVBAGLBSA-N 0 2 420.238 3.759 20 0 HHADLN C[C@@H](NC(=O)c1cc(F)cc(Br)c1O)c1ccc([S@@](C)=O)cc1 ZINC000436852564 981591423 /nfs/dbraw/zinc/59/14/23/981591423.db2.gz AITGZTZRIXZBKG-XQHREBAHSA-N 0 2 400.269 3.522 20 0 HHADLN C[C@@H](NC(=O)c1cc(F)cc(Br)c1O)c1nc(-c2cccc(F)c2)no1 ZINC000436852829 981591461 /nfs/dbraw/zinc/59/14/61/981591461.db2.gz PNLDIDFRSYNWFF-MRVPVSSYSA-N 0 2 424.201 3.974 20 0 HHADLN O=C(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cc(F)cc(Br)c1O ZINC000436854835 981592814 /nfs/dbraw/zinc/59/28/14/981592814.db2.gz ULJFZHHEBRKUBJ-HOCLYGCPSA-N 0 2 416.193 3.832 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCC[C@@]2(C1)OCc1ccccc12 ZINC000436856025 981593534 /nfs/dbraw/zinc/59/35/34/981593534.db2.gz WYACKEKBYWEHPJ-IBGZPJMESA-N 0 2 406.251 3.956 20 0 HHADLN CC[NH+](CC)Cc1nc(C2(NC(=O)c3cc(F)c([O-])c(Cl)c3)CCCC2)no1 ZINC000436858893 981595237 /nfs/dbraw/zinc/59/52/37/981595237.db2.gz QOONECQQFGNNDS-UHFFFAOYSA-N 0 2 410.877 3.609 20 0 HHADLN O=C(c1cc(F)c([O-])c(Cl)c1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000436861343 981596090 /nfs/dbraw/zinc/59/60/90/981596090.db2.gz SVXPQGGCCWZMJR-UHFFFAOYSA-N 0 2 413.276 3.675 20 0 HHADLN CC(C)(CO)[C@@H](CNC(=O)c1cc(F)cc(Br)c1O)c1ccccc1 ZINC000436865392 981596597 /nfs/dbraw/zinc/59/65/97/981596597.db2.gz SUUQVZGRKLIUAE-HNNXBMFYSA-N 0 2 410.283 3.826 20 0 HHADLN C[C@H]1CN(C(=O)c2cc(F)cc(Br)c2O)C[C@@H](c2ccsc2)O1 ZINC000436864549 981596683 /nfs/dbraw/zinc/59/66/83/981596683.db2.gz NXYOQZHGJPRZBT-XPTSAGLGSA-N 0 2 400.269 3.958 20 0 HHADLN O=C(NCc1ccc(I)cc1Cl)c1cc(F)c(O)c(F)c1 ZINC000436928432 981629401 /nfs/dbraw/zinc/62/94/01/981629401.db2.gz AYTMVVMBIQZBNV-UHFFFAOYSA-N 0 2 423.584 3.858 20 0 HHADLN O=C(NCc1cccc(-c2nc(CC(F)(F)F)no2)c1)c1cc(F)c(O)c(F)c1 ZINC000436932224 981630911 /nfs/dbraw/zinc/63/09/11/981630911.db2.gz BMEQXCCVZOEWQS-UHFFFAOYSA-N 0 2 413.302 3.755 20 0 HHADLN Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O ZINC000436964399 981651866 /nfs/dbraw/zinc/65/18/66/981651866.db2.gz FZNFCTMUYFHQTJ-UHFFFAOYSA-N 0 2 410.495 3.740 20 0 HHADLN CC(C)(C)NC(=O)N1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CC1 ZINC000436990944 981671582 /nfs/dbraw/zinc/67/15/82/981671582.db2.gz RKJYMZPPVPFQPK-UHFFFAOYSA-N 0 2 415.921 3.979 20 0 HHADLN CN(Cc1ccccc1NC(=O)c1c(O)cccc1F)C(=O)c1c(O)cccc1F ZINC000436989996 981671905 /nfs/dbraw/zinc/67/19/05/981671905.db2.gz NVCUPXLOTIVVSG-UHFFFAOYSA-N 0 2 412.392 3.901 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1nnc(CC(C)C)s1 ZINC000437168569 981821573 /nfs/dbraw/zinc/82/15/73/981821573.db2.gz AJVNLWHABOJFSW-UHFFFAOYSA-N 0 2 411.530 3.539 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3F)s2)cc1Cl ZINC000437171294 981824647 /nfs/dbraw/zinc/82/46/47/981824647.db2.gz KQHAJRBCKDNOBR-UHFFFAOYSA-N 0 2 413.883 3.731 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)NCc1ccccn1 ZINC000448546130 981874251 /nfs/dbraw/zinc/87/42/51/981874251.db2.gz VLQVRRQURJJCJX-UHFFFAOYSA-N 0 2 414.462 3.652 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)NCCCOC(C)C ZINC000448545642 981874376 /nfs/dbraw/zinc/87/43/76/981874376.db2.gz IGSVWEQOIUCBQE-UHFFFAOYSA-N 0 2 423.510 3.872 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCc1nccn1CCCc1ccccc1 ZINC000460125049 981899631 /nfs/dbraw/zinc/89/96/31/981899631.db2.gz OASBVJOTFZFQMB-UHFFFAOYSA-N 0 2 424.555 3.840 20 0 HHADLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)sc2C1 ZINC000437311965 981964575 /nfs/dbraw/zinc/96/45/75/981964575.db2.gz XJUYIHUFNCQHLJ-GFCCVEGCSA-N 0 2 406.508 3.784 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)cc1C ZINC000437333719 981985244 /nfs/dbraw/zinc/98/52/44/981985244.db2.gz SFIAPKJPTVKXHK-UHFFFAOYSA-N 0 2 402.497 3.630 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nc3c(s2)CCCC3)cnn1-c1ccc(Cl)cc1 ZINC000437347086 981996895 /nfs/dbraw/zinc/99/68/95/981996895.db2.gz ZKLDKDRRUSDAAM-UHFFFAOYSA-N 0 2 408.936 3.970 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cs1 ZINC000437400922 982045164 /nfs/dbraw/zinc/04/51/64/982045164.db2.gz RQAUYYBXWYUJSW-UHFFFAOYSA-N 0 2 413.480 3.879 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)c(Br)c1 ZINC000437406445 982050283 /nfs/dbraw/zinc/05/02/83/982050283.db2.gz GCUMJOKCBUGPRO-UHFFFAOYSA-N 0 2 421.272 3.585 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)cn1 ZINC000437409446 982052300 /nfs/dbraw/zinc/05/23/00/982052300.db2.gz RPOYVXVURNENCU-UHFFFAOYSA-N 0 2 420.903 3.945 20 0 HHADLN CC(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(CN3CCCCC3)cs2)cc1 ZINC000437412216 982054282 /nfs/dbraw/zinc/05/42/82/982054282.db2.gz POIFYOJBNSIRGD-UHFFFAOYSA-N 0 2 407.561 3.769 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)cn1 ZINC000437412741 982054731 /nfs/dbraw/zinc/05/47/31/982054731.db2.gz YUNVXFCGZJIVNO-UHFFFAOYSA-N 0 2 420.903 3.945 20 0 HHADLN Cc1ccccc1CN(Cc1ccccc1)C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000437465127 982096767 /nfs/dbraw/zinc/09/67/67/982096767.db2.gz DWXRUYBEBGFJBH-UHFFFAOYSA-N 0 2 422.554 3.733 20 0 HHADLN COC(=O)c1ccc(C)c(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c1 ZINC000460419343 982206519 /nfs/dbraw/zinc/20/65/19/982206519.db2.gz JMBJLEFWPYAUOM-UHFFFAOYSA-N 0 2 419.890 3.730 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)cn1 ZINC000460428690 982217780 /nfs/dbraw/zinc/21/77/80/982217780.db2.gz PDTNWHJPLMYSEL-UHFFFAOYSA-N 0 2 402.863 3.816 20 0 HHADLN O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cnc2n1CCC2 ZINC000437665256 982281707 /nfs/dbraw/zinc/28/17/07/982281707.db2.gz GWKMZRLVQOLOPX-UHFFFAOYSA-N 0 2 414.453 3.639 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)c(F)c2)o1)c1ccc(Br)cc1 ZINC000460550172 982336582 /nfs/dbraw/zinc/33/65/82/982336582.db2.gz WKCFDZZLOPWKIE-UHFFFAOYSA-N 0 2 416.203 3.578 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cnc3c(Br)cccn23)cc1Cl ZINC000460645991 982419422 /nfs/dbraw/zinc/41/94/22/982419422.db2.gz BHJBKQUOTNYGCM-UHFFFAOYSA-N 0 2 416.684 3.560 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nc3ccsc3s2)cc1)c1ccncc1 ZINC000437944304 982477356 /nfs/dbraw/zinc/47/73/56/982477356.db2.gz XZWOIPMAJGJGFN-UHFFFAOYSA-N 0 2 416.509 3.806 20 0 HHADLN C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC1 ZINC000437983391 982505320 /nfs/dbraw/zinc/50/53/20/982505320.db2.gz FEYFXLVUQXPDMO-CYBMUJFWSA-N 0 2 407.971 3.822 20 0 HHADLN COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000460826763 982577537 /nfs/dbraw/zinc/57/75/37/982577537.db2.gz CSNYGHRWUOGYST-UHFFFAOYSA-N 0 2 420.270 3.598 20 0 HHADLN O=S(=O)(Nc1ccccc1NCC(F)(F)F)c1cnn(-c2ccccc2F)c1 ZINC000460834132 982584068 /nfs/dbraw/zinc/58/40/68/982584068.db2.gz FZOFOOVRRZMQHW-UHFFFAOYSA-N 0 2 414.384 3.786 20 0 HHADLN C[C@@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000460884127 982623197 /nfs/dbraw/zinc/62/31/97/982623197.db2.gz PKTVNCCCKDWDLE-CYBMUJFWSA-N 0 2 419.407 3.963 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2c[nH]nc2-c2ccccn2)c(C)cc1Br ZINC000438387944 982759416 /nfs/dbraw/zinc/75/94/16/982759416.db2.gz YTEJIRQEZBAZOF-UHFFFAOYSA-N 0 2 407.293 3.652 20 0 HHADLN O=S(=O)(Nc1ncc(-c2cncc(F)c2)cn1)c1ccc(C(F)(F)F)s1 ZINC000461114743 982806992 /nfs/dbraw/zinc/80/69/92/982806992.db2.gz CCTBKBVSZYOLEZ-UHFFFAOYSA-N 0 2 404.370 3.559 20 0 HHADLN O=S(=O)(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc(C(F)(F)F)s1 ZINC000461118756 982813036 /nfs/dbraw/zinc/81/30/36/982813036.db2.gz OHEPALSHENFXFJ-UHFFFAOYSA-N 0 2 422.431 3.949 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000438720755 983024731 /nfs/dbraw/zinc/02/47/31/983024731.db2.gz BSASLHJQYBURDF-UHFFFAOYSA-N 0 2 402.428 3.671 20 0 HHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000438734182 983032350 /nfs/dbraw/zinc/03/23/50/983032350.db2.gz KPNWYKHWIZTUOQ-CQSZACIVSA-N 0 2 416.758 3.517 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccccc1)c1ccc(F)c(Br)c1 ZINC000438788570 983071059 /nfs/dbraw/zinc/07/10/59/983071059.db2.gz CLCHJWQWTIOCMV-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000438804694 983081460 /nfs/dbraw/zinc/08/14/60/983081460.db2.gz JZWMQJNPLLTSNQ-UHFFFAOYSA-N 0 2 412.231 3.619 20 0 HHADLN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccc(F)cc1 ZINC000461450412 983116072 /nfs/dbraw/zinc/11/60/72/983116072.db2.gz XDWSYWIZDIGHEI-MRXNPFEDSA-N 0 2 420.491 3.610 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)=N1 ZINC000438951812 983174366 /nfs/dbraw/zinc/17/43/66/983174366.db2.gz VYZRSSFOCNEFQD-HXUWFJFHSA-N 0 2 413.424 3.632 20 0 HHADLN CCOC(=O)c1nc(NS(=O)(=O)c2cccc(Cl)c2Cl)sc1C(C)=O ZINC000438987886 983196604 /nfs/dbraw/zinc/19/66/04/983196604.db2.gz BQKJPFVGYKRWEG-UHFFFAOYSA-N 0 2 423.299 3.630 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)cc1NS(C)(=O)=O ZINC000439070565 983236211 /nfs/dbraw/zinc/23/62/11/983236211.db2.gz VYKSAFOPJUJPGZ-UHFFFAOYSA-N 0 2 402.563 3.526 20 0 HHADLN Cn1nccc1[C@H]1CCCCN1C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000439374682 983384557 /nfs/dbraw/zinc/38/45/57/983384557.db2.gz WSUZBXWCEAWSHJ-OAHLLOKOSA-N 0 2 402.911 3.773 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc([C@H]3CCC(F)(F)C3)no2)cc1 ZINC000439579969 983459681 /nfs/dbraw/zinc/45/96/81/983459681.db2.gz ZIRKEQZLQGLLAX-NSHDSACASA-N 0 2 412.443 3.897 20 0 HHADLN CC(C)c1nnc2n1CCN(C(=O)N=c1nc(-c3cccc(Cl)c3)[nH]s1)[C@H]2C ZINC000439672681 983494782 /nfs/dbraw/zinc/49/47/82/983494782.db2.gz SEEWWBLMEGCLAK-NSHDSACASA-N 0 2 417.926 3.604 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cc(C)c(F)cc2F)nc1C(C)(C)C ZINC000439884029 983569007 /nfs/dbraw/zinc/56/90/07/983569007.db2.gz RPUTWLIVYHYGQN-UHFFFAOYSA-N 0 2 404.460 3.615 20 0 HHADLN Cc1cnn(-c2ccccc2)c1NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000439884621 983569390 /nfs/dbraw/zinc/56/93/90/983569390.db2.gz YCPCBNHQMAWDOK-CYBMUJFWSA-N 0 2 403.891 3.958 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N3CCN([C@H](C)c4ccc(Cl)cc4)CC3)c[nH]c2n1 ZINC000440277317 983704624 /nfs/dbraw/zinc/70/46/24/983704624.db2.gz YDPCCMGKZJSNAT-OAHLLOKOSA-N 0 2 410.905 3.816 20 0 HHADLN CCCOc1ccc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)cc1OCCC ZINC000440808350 983915737 /nfs/dbraw/zinc/91/57/37/983915737.db2.gz QDTVNHNEDWMNHU-UHFFFAOYSA-N 0 2 423.535 3.613 20 0 HHADLN C[C@@H](O)CN(C(=O)N=c1nc(C(C)(C)C)[nH]s1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000440975717 984007763 /nfs/dbraw/zinc/00/77/63/984007763.db2.gz JDUGMBRBLBMLBB-CHWSQXEVSA-N 0 2 410.971 3.757 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C3CCCCC3)nn2C)cc1Cl ZINC000441384572 984223125 /nfs/dbraw/zinc/22/31/25/984223125.db2.gz UMAAWZNILCBYRK-UHFFFAOYSA-N 0 2 411.911 3.709 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N2CCCC[C@@H]2CCCc2ccccc2)s[nH]1 ZINC000442232162 984752006 /nfs/dbraw/zinc/75/20/06/984752006.db2.gz WTNUSLKZPYZBSV-QGZVFWFLSA-N 0 2 414.575 3.600 20 0 HHADLN Cc1cc(N2CCNC2=O)ccc1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000442235779 984755818 /nfs/dbraw/zinc/75/58/18/984755818.db2.gz KFPPDBMZLYCMEO-UHFFFAOYSA-N 0 2 400.287 3.632 20 0 HHADLN COc1ccc(-c2n[nH]c(NC(=O)c3sc(C(F)(F)F)nc3C)n2)c(OC)c1 ZINC000461998807 984979428 /nfs/dbraw/zinc/97/94/28/984979428.db2.gz XSSUCBDXCBFWJP-UHFFFAOYSA-N 0 2 413.381 3.525 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3sc(C(F)(F)F)nc3C)s[nH]2)c1 ZINC000462021134 984999558 /nfs/dbraw/zinc/99/95/58/984999558.db2.gz TZTNYSCTVSZVMZ-UHFFFAOYSA-N 0 2 400.407 3.672 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(-c3cccc(Br)c3)cn2)cn1 ZINC000442617403 985095182 /nfs/dbraw/zinc/09/51/82/985095182.db2.gz MVVQCWSSRIHNBW-UHFFFAOYSA-N 0 2 420.288 3.716 20 0 HHADLN O=S(=O)([N-]c1ccc(-n2cc[nH+]c2)c(Cl)c1)c1ccc(Br)o1 ZINC000442631026 985106515 /nfs/dbraw/zinc/10/65/15/985106515.db2.gz XPEGXHJZPGTHGB-UHFFFAOYSA-N 0 2 402.657 3.682 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1cnccc1C(F)(F)F ZINC000442815055 985225501 /nfs/dbraw/zinc/22/55/01/985225501.db2.gz BWBMULSIPSHMCX-CQSZACIVSA-N 0 2 412.393 3.629 20 0 HHADLN CC(C)(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc32)cc1 ZINC000442835124 985236424 /nfs/dbraw/zinc/23/64/24/985236424.db2.gz LKXSABAKETZJHA-UHFFFAOYSA-N 0 2 404.513 3.608 20 0 HHADLN CS[C@@H]1CCC[C@H](NS(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)C1 ZINC000462347046 985336351 /nfs/dbraw/zinc/33/63/51/985336351.db2.gz PFJRTJFAWXOJCS-VHSXEESVSA-N 0 2 412.911 3.529 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(cc(C)cc3C)s2)c(OC)c1 ZINC000443137165 985399420 /nfs/dbraw/zinc/39/94/20/985399420.db2.gz BYYVXWRCBGBSGQ-UHFFFAOYSA-N 0 2 406.485 3.509 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cnccc2C(F)(F)F)cnc1N1CCCC[C@@H]1C ZINC000443158455 985415805 /nfs/dbraw/zinc/41/58/05/985415805.db2.gz OMLAGRNHGWBGQP-ZDUSSCGKSA-N 0 2 414.453 3.983 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCCSc2ccccc2)c(F)c1Cl ZINC000462468298 985426706 /nfs/dbraw/zinc/42/67/06/985426706.db2.gz ASTYOHXLZFTREO-UHFFFAOYSA-N 0 2 420.890 3.647 20 0 HHADLN C[C@H](C(=O)NCc1nnc(COc2ccccc2)[nH]1)c1cccc(Br)c1 ZINC000462487314 985442120 /nfs/dbraw/zinc/44/21/20/985442120.db2.gz DUTSBUVPUJMCOM-ZDUSSCGKSA-N 0 2 415.291 3.566 20 0 HHADLN Cc1cnc(NS(=O)(=O)c2csc(-c3cccc(Br)c3)n2)o1 ZINC000443370190 985531470 /nfs/dbraw/zinc/53/14/70/985531470.db2.gz ILIYQXLSVSDPSX-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N1CCCC2(CCC2)C1 ZINC000467955651 985595180 /nfs/dbraw/zinc/59/51/80/985595180.db2.gz BHFFTICKAJBSAV-UHFFFAOYSA-N 0 2 406.533 3.742 20 0 HHADLN O=S(=O)(Nc1cccc(CCCc2ccccc2)c1)c1cnn([C@H]2CCOC2)c1 ZINC000443461074 985634634 /nfs/dbraw/zinc/63/46/34/985634634.db2.gz NVBWEWHXRYBBKB-NRFANRHFSA-N 0 2 411.527 3.821 20 0 HHADLN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cn1C ZINC000443466606 985641302 /nfs/dbraw/zinc/64/13/02/985641302.db2.gz ZTLYZJQOIBVHRY-UHFFFAOYSA-N 0 2 410.801 3.675 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)c(F)c1Cl ZINC000462707443 985651125 /nfs/dbraw/zinc/65/11/25/985651125.db2.gz YSZNRKIMMXHUCM-GRYCIOLGSA-N 0 2 406.882 3.824 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)s[nH]2)c1 ZINC000462728056 985674888 /nfs/dbraw/zinc/67/48/88/985674888.db2.gz QZSZFHYCCMGSJN-WMZOPIPTSA-N 0 2 410.499 3.677 20 0 HHADLN Cn1ccc2c(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)cccc2c1=O ZINC000443527792 985699056 /nfs/dbraw/zinc/69/90/56/985699056.db2.gz HDPLFEIZJAHMOL-UHFFFAOYSA-N 0 2 401.246 3.785 20 0 HHADLN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccc(F)c(F)c1 ZINC000443586681 985761608 /nfs/dbraw/zinc/76/16/08/985761608.db2.gz ADOKMEDREQNOSN-LLVKDONJSA-N 0 2 423.466 3.964 20 0 HHADLN O=S(=O)(Cc1ncc(-c2cccc(Br)c2)o1)c1nc2ccccc2[nH]1 ZINC000462955835 985899218 /nfs/dbraw/zinc/89/92/18/985899218.db2.gz FSBUQZJTKVWCEG-UHFFFAOYSA-N 0 2 418.272 3.954 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc2n[nH]cc2cc1C ZINC000468356192 986053515 /nfs/dbraw/zinc/05/35/15/986053515.db2.gz LFBQMUHEJGKXDB-LBPRGKRZSA-N 0 2 409.895 3.739 20 0 HHADLN Cc1ccc(S(=O)(=O)NCCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1C ZINC000463108448 986069570 /nfs/dbraw/zinc/06/95/70/986069570.db2.gz TZMLTYIIIIADLZ-UHFFFAOYSA-N 0 2 417.314 3.623 20 0 HHADLN O=C(CCC(=O)N1CCN(c2ccccc2)CC1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000463109165 986071928 /nfs/dbraw/zinc/07/19/28/986071928.db2.gz VVQFTRNCZLSUDJ-UHFFFAOYSA-N 0 2 422.312 3.767 20 0 HHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 ZINC000463111039 986073294 /nfs/dbraw/zinc/07/32/94/986073294.db2.gz OHYHSTSXHDDYJE-CQSZACIVSA-N 0 2 423.252 3.671 20 0 HHADLN C[C@H](C(=O)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000463111559 986073619 /nfs/dbraw/zinc/07/36/19/986073619.db2.gz YZTIALUBBAFFFH-JTQLQIEISA-N 0 2 417.314 3.692 20 0 HHADLN O=C(CNC(=O)c1cc(-c2ccccc2)on1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000463113657 986076348 /nfs/dbraw/zinc/07/63/48/986076348.db2.gz ZVSXRPYXYKIGGN-UHFFFAOYSA-N 0 2 406.225 3.723 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000463164489 986136078 /nfs/dbraw/zinc/13/60/78/986136078.db2.gz NVOAHLNOEIASBI-GFCCVEGCSA-N 0 2 420.256 3.594 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1ccnc(-n2cccn2)c1 ZINC000463166819 986138616 /nfs/dbraw/zinc/13/86/16/986138616.db2.gz CSGBYLJRZGTXJO-UHFFFAOYSA-N 0 2 400.229 3.612 20 0 HHADLN CC(C)CC(=O)N[C@H](C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)C(C)C ZINC000463168809 986140705 /nfs/dbraw/zinc/14/07/05/986140705.db2.gz ZENWNUPRDAKIMJ-HNNXBMFYSA-N 0 2 412.321 3.904 20 0 HHADLN CC[C@H](C)[C@@H](NS(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F)C(F)(F)F ZINC000443946046 986154632 /nfs/dbraw/zinc/15/46/32/986154632.db2.gz XMMPJUIUAMANPI-WPPNPWJKSA-N 0 2 404.813 3.693 20 0 HHADLN CC1(C)CC(Cc2noc(-c3ccc(S(=O)(=O)Nc4nccs4)cc3)n2)C1 ZINC000463183406 986155332 /nfs/dbraw/zinc/15/53/32/986155332.db2.gz PJZDJVRXKPNAHA-UHFFFAOYSA-N 0 2 404.517 3.973 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2cnc(C)o2)cc1 ZINC000468543554 986249548 /nfs/dbraw/zinc/24/95/48/986249548.db2.gz OELUIWWPALLSCL-UHFFFAOYSA-N 0 2 406.435 3.615 20 0 HHADLN CCOc1ccc2nc(NS(=O)(=O)c3cnc(-c4ccccc4)nc3)sc2c1 ZINC000444051197 986250566 /nfs/dbraw/zinc/25/05/66/986250566.db2.gz LJXXITBCHYKWKF-UHFFFAOYSA-N 0 2 412.496 3.953 20 0 HHADLN O=S(=O)(Nc1nc2c(cc(F)c(F)c2F)s1)c1cnc(-c2ccccc2)nc1 ZINC000444051185 986250878 /nfs/dbraw/zinc/25/08/78/986250878.db2.gz LGFSTOZEQADWAZ-UHFFFAOYSA-N 0 2 422.413 3.971 20 0 HHADLN COc1cc(S(=O)(=O)Nc2nc(C(C)C)cs2)c(OC)cc1Br ZINC000444053913 986254092 /nfs/dbraw/zinc/25/40/92/986254092.db2.gz JYYNHYHDPTYATP-UHFFFAOYSA-N 0 2 421.338 3.847 20 0 HHADLN O=S(=O)(Nc1nc2cc(F)c(F)cc2s1)c1cnc(-c2ccccc2)nc1 ZINC000444054032 986254122 /nfs/dbraw/zinc/25/41/22/986254122.db2.gz KTCAAWCGNALZRY-UHFFFAOYSA-N 0 2 404.423 3.832 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)nc1C1CC1 ZINC000444055521 986256164 /nfs/dbraw/zinc/25/61/64/986256164.db2.gz OCKDWYLRUMWTHS-UHFFFAOYSA-N 0 2 424.397 3.766 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)n(C2CCOCC2)n1 ZINC000444060237 986262085 /nfs/dbraw/zinc/26/20/85/986262085.db2.gz VHOJMFNGUJIBAU-UHFFFAOYSA-N 0 2 407.389 3.502 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3)o2)c2ccccc12 ZINC000444063894 986265878 /nfs/dbraw/zinc/26/58/78/986265878.db2.gz HWPZSLLTRLJQBY-UHFFFAOYSA-N 0 2 408.439 3.649 20 0 HHADLN CC(C)c1nn(C)c2sc(C(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)cc12 ZINC000463308006 986276140 /nfs/dbraw/zinc/27/61/40/986276140.db2.gz LVRMIJKRIRYOFU-UHFFFAOYSA-N 0 2 401.517 3.741 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3ccc(F)cc3C(F)(F)F)o2)c(C)o1 ZINC000463385339 986352942 /nfs/dbraw/zinc/35/29/42/986352942.db2.gz RVUSYOLRIKFSFK-UHFFFAOYSA-N 0 2 405.329 3.905 20 0 HHADLN CCOc1cc(N2CCOC(C)(C)C2)ccc1NS(=O)(=O)c1ccccc1OC ZINC000444186443 986365042 /nfs/dbraw/zinc/36/50/42/986365042.db2.gz CWKHLCMBRLBKEE-UHFFFAOYSA-N 0 2 420.531 3.510 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)=N1 ZINC000468699300 986412788 /nfs/dbraw/zinc/41/27/88/986412788.db2.gz HIPQLNPIKUTHJP-VGSWGCGISA-N 0 2 409.461 3.923 20 0 HHADLN CC1(C)CN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC(C)(C)C1 ZINC000468720291 986435087 /nfs/dbraw/zinc/43/50/87/986435087.db2.gz OOIYRZDROVAMAK-UHFFFAOYSA-N 0 2 407.561 3.842 20 0 HHADLN O=C(N[C@H]1CCCc2sccc21)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000468725915 986439588 /nfs/dbraw/zinc/43/95/88/986439588.db2.gz AQUGSTZTHMRYEU-HNNXBMFYSA-N 0 2 419.553 3.813 20 0 HHADLN CCN(Cc1ccc(OC)c(OC)c1)C(=O)C1=NN(c2ccc(F)cc2C)CC1=O ZINC000468730864 986444472 /nfs/dbraw/zinc/44/44/72/986444472.db2.gz XWZGIYYJTLJRPT-UHFFFAOYSA-N 0 2 413.449 3.705 20 0 HHADLN CS(=O)(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1F ZINC000468958984 986662499 /nfs/dbraw/zinc/66/24/99/986662499.db2.gz NHCFRCLXRDEDBC-UHFFFAOYSA-N 0 2 418.320 3.539 20 0 HHADLN Cc1ccc(CS(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cc1F ZINC000468960846 986664061 /nfs/dbraw/zinc/66/40/61/986664061.db2.gz NVAYDYHUPKDIIT-GOSISDBHSA-N 0 2 400.479 3.586 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cccc(Br)c3C)s[nH]2)c1 ZINC000463760554 986750981 /nfs/dbraw/zinc/75/09/81/986750981.db2.gz OBYZNMUXAVDHBV-UHFFFAOYSA-N 0 2 404.289 3.959 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)cn1 ZINC000469119472 986836492 /nfs/dbraw/zinc/83/64/92/986836492.db2.gz ZGVNARHFEPOJQJ-UHFFFAOYSA-N 0 2 402.457 3.546 20 0 HHADLN CCOC(=O)[C@]1(C(C)C)CCN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C1 ZINC000445107658 987213292 /nfs/dbraw/zinc/21/32/92/987213292.db2.gz DWAVPEPXIVETNL-LJQANCHMSA-N 0 2 422.938 3.724 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N(C)[C@@H]3CCN(c4ccccc4)C3=O)=N2)c1 ZINC000469659342 987316542 /nfs/dbraw/zinc/31/65/42/987316542.db2.gz DYDAVXGQUVAPNX-HXUWFJFHSA-N 0 2 418.497 3.579 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1Br ZINC000469982691 987599487 /nfs/dbraw/zinc/59/94/87/987599487.db2.gz DVHQXFNHFGRFNF-UHFFFAOYSA-N 0 2 406.327 3.624 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(-c3ccc(Cl)o3)no2)cc1 ZINC000445599524 987668975 /nfs/dbraw/zinc/66/89/75/987668975.db2.gz IFHYEGDRTRORKI-UHFFFAOYSA-N 0 2 408.848 3.907 20 0 HHADLN Cc1c(F)cccc1S(=O)(=O)Nc1ccccc1S(=O)(=O)Nc1ccccc1 ZINC000464426910 988598753 /nfs/dbraw/zinc/59/87/53/988598753.db2.gz NZXRAQQLKMEXEH-UHFFFAOYSA-N 0 2 420.487 3.736 20 0 HHADLN CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000471112727 989215590 /nfs/dbraw/zinc/21/55/90/989215590.db2.gz LFXKUESJPHQKIR-UHFFFAOYSA-N 0 2 414.886 3.689 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCC[C@H](OCc2ccccc2F)C1 ZINC000471216715 989359716 /nfs/dbraw/zinc/35/97/16/989359716.db2.gz UGHSIIMZFRAGJV-KRWDZBQOSA-N 0 2 412.490 3.979 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(C)cc3)s2)cc1 ZINC000471515128 989714456 /nfs/dbraw/zinc/71/44/56/989714456.db2.gz IEHCFNAEZQKDTL-UHFFFAOYSA-N 0 2 416.528 3.587 20 0 HHADLN CCCCc1cc(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)[nH]n1 ZINC000471519276 989719345 /nfs/dbraw/zinc/71/93/45/989719345.db2.gz YXMFWUDDMJDKGE-UHFFFAOYSA-N 0 2 423.432 3.970 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc3ccn(C)c32)c(Br)c1 ZINC000471569567 989770791 /nfs/dbraw/zinc/77/07/91/989770791.db2.gz HYWAEEYZEQIFJW-UHFFFAOYSA-N 0 2 423.288 3.528 20 0 HHADLN Fc1ccc([C@H](NCc2nnc(COc3ccccc3)[nH]2)c2cccnc2)c(F)c1 ZINC000471593953 989797007 /nfs/dbraw/zinc/79/70/07/989797007.db2.gz AVPLJIAAMGNNLE-JOCHJYFZSA-N 0 2 407.424 3.936 20 0 HHADLN O=C1Nc2ccc(S(=O)(=O)Nc3ccnn3-c3cccc(F)c3)c3cccc1c23 ZINC000471909907 990077538 /nfs/dbraw/zinc/07/75/38/990077538.db2.gz GPMODSXMWKKVFK-UHFFFAOYSA-N 0 2 408.414 3.531 20 0 HHADLN Cc1cc(Br)ccc1S(=O)(=O)Nc1nc(-c2cccs2)ns1 ZINC000471911184 990079452 /nfs/dbraw/zinc/07/94/52/990079452.db2.gz LOMIEJXSQJWTBA-UHFFFAOYSA-N 0 2 416.347 3.560 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1c[nH]c2cccc(F)c21 ZINC000471913091 990080417 /nfs/dbraw/zinc/08/04/17/990080417.db2.gz YOZUKASHYHYJKI-MRXNPFEDSA-N 0 2 400.435 3.836 20 0 HHADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccccc2OC(F)(F)F)n1 ZINC000471936107 990100803 /nfs/dbraw/zinc/10/08/03/990100803.db2.gz IEHJNKJOJPSIFX-UHFFFAOYSA-N 0 2 421.447 3.696 20 0 HHADLN COC(=O)c1ccc(C(C)C)c(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)c1 ZINC000466472704 991764128 /nfs/dbraw/zinc/76/41/28/991764128.db2.gz HLUFLFRRFLJKHW-UHFFFAOYSA-N 0 2 413.499 3.642 20 0 HHADLN COC[C@@H]1CCCCN(C(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)C1 ZINC000466717054 992029130 /nfs/dbraw/zinc/02/91/30/992029130.db2.gz IXZDECAJVOESHS-MRXNPFEDSA-N 0 2 422.572 3.746 20 0 HHADLN CC(C)c1cnc(NS(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)s1 ZINC000467011966 992319324 /nfs/dbraw/zinc/31/93/24/992319324.db2.gz AICPJSLESINQQQ-LBPRGKRZSA-N 0 2 400.497 3.622 20 0 HHADLN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N(Cc2ccsc2)c2ccccc2)c1 ZINC000467116249 992429506 /nfs/dbraw/zinc/42/95/06/992429506.db2.gz LTQLRPSPYZHDBF-UHFFFAOYSA-N 0 2 416.524 3.551 20 0 HHADLN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cn1C ZINC000467298898 992625364 /nfs/dbraw/zinc/62/53/64/992625364.db2.gz GXAVLUGNFPRXBY-UHFFFAOYSA-N 0 2 410.801 3.675 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)ccc1C ZINC000467437764 992734834 /nfs/dbraw/zinc/73/48/34/992734834.db2.gz XEFMBMURUGQPCG-UHFFFAOYSA-N 0 2 416.402 3.609 20 0 HHADLN CCC[C@@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000467473763 992766038 /nfs/dbraw/zinc/76/60/38/992766038.db2.gz HNRUMKYAXNGNHG-CQSZACIVSA-N 0 2 408.549 3.988 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)cnn1-c1ccccn1 ZINC000480731682 993598024 /nfs/dbraw/zinc/59/80/24/993598024.db2.gz CMSUPSREHJVZIN-UHFFFAOYSA-N 0 2 421.482 3.909 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCc2cc(Br)ccc2C1 ZINC000480811691 993684996 /nfs/dbraw/zinc/68/49/96/993684996.db2.gz MEHZDRQCFWOHRS-UHFFFAOYSA-N 0 2 416.250 3.678 20 0 HHADLN O=S(=O)(N[C@@H]1CCCc2cn[nH]c21)c1ccc(Br)cc1C(F)(F)F ZINC000481074936 993914585 /nfs/dbraw/zinc/91/45/85/993914585.db2.gz OYBUQGBGKFENSS-LLVKDONJSA-N 0 2 424.242 3.547 20 0 HHADLN Cc1cnc(NS(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)o1 ZINC000481421629 994255588 /nfs/dbraw/zinc/25/55/88/994255588.db2.gz IYAIUAHBYVGUPK-UHFFFAOYSA-N 0 2 400.279 3.670 20 0 HHADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3c(C)nn(CC)c3C)cc2c1C ZINC000473479110 994323287 /nfs/dbraw/zinc/32/32/87/994323287.db2.gz NWBAVGMULSNOHX-UHFFFAOYSA-N 0 2 405.476 3.552 20 0 HHADLN O=C1CCC(=O)N1c1ccccc1NS(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000473484765 994328750 /nfs/dbraw/zinc/32/87/50/994328750.db2.gz VPDKKSBRYHONOO-UHFFFAOYSA-N 0 2 417.245 3.587 20 0 HHADLN CNS(=O)(=O)c1cccc(NS(=O)(=O)c2c(Cl)ccc3ccccc32)c1C ZINC000481616273 994474381 /nfs/dbraw/zinc/47/43/81/994474381.db2.gz PMIYJJDQXHNSOY-UHFFFAOYSA-N 0 2 424.931 3.511 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2OC)c(Cl)c1Cl ZINC000481624223 994487007 /nfs/dbraw/zinc/48/70/07/994487007.db2.gz UDJVZOJKEZYRIE-UHFFFAOYSA-N 0 2 422.286 3.829 20 0 HHADLN COc1cc2nc(C)sc2cc1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473670834 994559715 /nfs/dbraw/zinc/55/97/15/994559715.db2.gz OBMZSLQYXVJDEB-UHFFFAOYSA-N 0 2 424.486 3.632 20 0 HHADLN Cc1nc(-c2cccc(NC(=O)NCc3nnc(COc4ccccc4)[nH]3)c2)oc1C ZINC000473675736 994565399 /nfs/dbraw/zinc/56/53/99/994565399.db2.gz LTIKZNZJTHDILE-UHFFFAOYSA-N 0 2 418.457 3.977 20 0 HHADLN COc1ccc(OC(C)C)c(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)c1 ZINC000473678834 994568710 /nfs/dbraw/zinc/56/87/10/994568710.db2.gz RETYIIMQLPCQDU-UHFFFAOYSA-N 0 2 411.462 3.501 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1cc(Br)ccc1F ZINC000473684062 994573537 /nfs/dbraw/zinc/57/35/37/994573537.db2.gz WPWAGLBMSKQVCK-UHFFFAOYSA-N 0 2 420.242 3.607 20 0 HHADLN O=S(=O)(Nc1ncc(C(F)(F)F)s1)c1ccc(OCC(F)(F)F)cc1 ZINC000473758647 994670265 /nfs/dbraw/zinc/67/02/65/994670265.db2.gz CBWOPLKMARUTPT-UHFFFAOYSA-N 0 2 406.329 3.904 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000473770128 994690027 /nfs/dbraw/zinc/69/00/27/994690027.db2.gz RHBLBDVPIOYFQM-HXUWFJFHSA-N 0 2 412.902 3.944 20 0 HHADLN CC(C)Oc1c(F)cc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1F ZINC000473772726 994692831 /nfs/dbraw/zinc/69/28/31/994692831.db2.gz XSICUKKCDDXCAW-UHFFFAOYSA-N 0 2 417.416 3.771 20 0 HHADLN Cc1ccc(-c2ncco2)cc1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473773105 994694127 /nfs/dbraw/zinc/69/41/27/994694127.db2.gz YVVSAOJDRGOQLL-UHFFFAOYSA-N 0 2 404.430 3.669 20 0 HHADLN Cc1nn(-c2ccc(Cl)cc2)c(NS(=O)(=O)c2cc3c(cc2C)OCO3)c1C ZINC000481841118 994695541 /nfs/dbraw/zinc/69/55/41/994695541.db2.gz AMUYRZAVLFEABT-UHFFFAOYSA-N 0 2 419.890 3.980 20 0 HHADLN O=S(=O)(Nc1cc([C@H]2CCCOC2)[nH]n1)c1ccc(OCc2ccccc2)cc1 ZINC000481850172 994706493 /nfs/dbraw/zinc/70/64/93/994706493.db2.gz UUVPYGDZCFUKCV-KRWDZBQOSA-N 0 2 413.499 3.684 20 0 HHADLN COc1ccc(Oc2ccc(S(=O)(=O)Nc3cc([C@@H]4CCCO4)[nH]n3)cc2)cc1 ZINC000481862938 994722936 /nfs/dbraw/zinc/72/29/36/994722936.db2.gz LOJAZGRBXFWPFX-IBGZPJMESA-N 0 2 415.471 3.863 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)c1C ZINC000481864547 994725163 /nfs/dbraw/zinc/72/51/63/994725163.db2.gz ZWPJLIQWEOHPOJ-UHFFFAOYSA-N 0 2 415.903 3.632 20 0 HHADLN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cn2)C[C@@H](C)O1 ZINC000481866380 994727213 /nfs/dbraw/zinc/72/72/13/994727213.db2.gz XQZDYEQAXJAHSN-NXEZZACHSA-N 0 2 422.359 3.864 20 0 HHADLN Cc1csc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCCCO2)n1 ZINC000481869051 994732034 /nfs/dbraw/zinc/73/20/34/994732034.db2.gz OLXFJVPRFZNNMT-ZDUSSCGKSA-N 0 2 402.925 3.854 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(Cc3ccccc3)o2)c(C)cc1Br ZINC000481884591 994750685 /nfs/dbraw/zinc/75/06/85/994750685.db2.gz OWDYRBRJLMVSAL-UHFFFAOYSA-N 0 2 422.304 3.841 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2)o1)c1ccc(F)c(C(F)(F)F)c1 ZINC000481891507 994759756 /nfs/dbraw/zinc/75/97/56/994759756.db2.gz TUFCWFAMROKMJX-UHFFFAOYSA-N 0 2 401.341 3.619 20 0 HHADLN CC(C)C[C@@H](C)n1nccc1NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000481898871 994769925 /nfs/dbraw/zinc/76/99/25/994769925.db2.gz KOMPCSUDCGXMPF-GFCCVEGCSA-N 0 2 406.430 3.627 20 0 HHADLN Cc1ccsc1-c1nc(=NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)s[n-]1 ZINC000473836462 994769897 /nfs/dbraw/zinc/76/98/97/994769897.db2.gz NVWHHKCKGNAWCX-AWEZNQCLSA-N 0 2 417.560 3.939 20 0 HHADLN O=S(=O)(Nc1ccc(OC2CCC2)c(F)c1)c1cnn(-c2ccccc2F)c1 ZINC000481971975 994863671 /nfs/dbraw/zinc/86/36/71/994863671.db2.gz VEZDUPZBJVXETA-UHFFFAOYSA-N 0 2 405.426 3.883 20 0 HHADLN C[C@@]1(CCc2ccccc2)CCN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1 ZINC000474077266 995062897 /nfs/dbraw/zinc/06/28/97/995062897.db2.gz DTWXYILGPYSYDJ-XMMPIXPASA-N 0 2 419.529 3.938 20 0 HHADLN Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C1 ZINC000474087639 995070107 /nfs/dbraw/zinc/07/01/07/995070107.db2.gz KDWFIUAUAJVFPX-MSOLQXFVSA-N 0 2 405.502 3.780 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N(Cc1ccccc1)CC1CCC1 ZINC000474088903 995071990 /nfs/dbraw/zinc/07/19/90/995071990.db2.gz LMLDBAGHVRSHSM-UHFFFAOYSA-N 0 2 405.502 3.896 20 0 HHADLN CCCN(C(=O)NCc1nnc(COc2ccccc2)[nH]1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000474092612 995075583 /nfs/dbraw/zinc/07/55/83/995075583.db2.gz CEFWQRDXFLPCRC-MSOLQXFVSA-N 0 2 415.538 3.509 20 0 HHADLN Cc1ccc(C[C@@H]2CCCN2C(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000474094030 995075985 /nfs/dbraw/zinc/07/59/85/995075985.db2.gz IJDYIIXWPVXVDN-IBGZPJMESA-N 0 2 405.502 3.609 20 0 HHADLN CC(C)(C)c1ccc2c(c1)CN(C(=O)NCc1nnc(COc3ccccc3)[nH]1)CC2 ZINC000474093512 995076504 /nfs/dbraw/zinc/07/65/04/995076504.db2.gz FBVPCTMNAUTRPF-UHFFFAOYSA-N 0 2 419.529 3.949 20 0 HHADLN COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1OCC(F)F ZINC000474389767 995364847 /nfs/dbraw/zinc/36/48/47/995364847.db2.gz OICFHIVAORYBAI-UHFFFAOYSA-N 0 2 422.247 3.902 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccc(C)nn2)c2ccccc12 ZINC000474422485 995385852 /nfs/dbraw/zinc/38/58/52/995385852.db2.gz UNDXJBQHCPBTME-UHFFFAOYSA-N 0 2 423.498 3.632 20 0 HHADLN O=C(CC1(CSc2ccccc2)CC1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474572017 995533908 /nfs/dbraw/zinc/53/39/08/995533908.db2.gz DMDXAIHBZSUDRP-UHFFFAOYSA-N 0 2 408.527 3.963 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1coc(-c2ccccc2Cl)n1 ZINC000474577340 995538422 /nfs/dbraw/zinc/53/84/22/995538422.db2.gz HSILFVYMFBGBAJ-UHFFFAOYSA-N 0 2 409.833 3.622 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000474585351 995543781 /nfs/dbraw/zinc/54/37/81/995543781.db2.gz LIWWEAQOLQBQQQ-UHFFFAOYSA-N 0 2 409.833 3.622 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000474585360 995544005 /nfs/dbraw/zinc/54/40/05/995544005.db2.gz LLRDLNQWNXJOBC-DLBZAZTESA-N 0 2 416.403 3.822 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccc(Sc2ccccn2)cc1 ZINC000474585244 995544315 /nfs/dbraw/zinc/54/43/15/995544315.db2.gz VAHFNECCHCLBPP-UHFFFAOYSA-N 0 2 417.494 3.860 20 0 HHADLN CC[C@H](Oc1ccccc1Cl)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474586714 995546254 /nfs/dbraw/zinc/54/62/54/995546254.db2.gz PNDXZBJJKZUMBA-INIZCTEOSA-N 0 2 400.866 3.511 20 0 HHADLN Cc1cc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)c(C)cc1Br ZINC000474592404 995550535 /nfs/dbraw/zinc/55/05/35/995550535.db2.gz HMHJZHYIWOGIIO-UHFFFAOYSA-N 0 2 415.291 3.693 20 0 HHADLN C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474594580 995552591 /nfs/dbraw/zinc/55/25/91/995552591.db2.gz WCSOZEBKBRNFIP-INIZCTEOSA-N 0 2 408.502 3.765 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000474596533 995555204 /nfs/dbraw/zinc/55/52/04/995555204.db2.gz KQBLIXFDOWCNQS-ZIAGYGMSSA-N 0 2 400.841 3.596 20 0 HHADLN O=C(CCc1nc(C2CCCC2)no1)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000474638042 995583527 /nfs/dbraw/zinc/58/35/27/995583527.db2.gz MARONXRPBSZAOR-UHFFFAOYSA-N 0 2 403.895 3.892 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@@H](c1ccccc1)c1ccccn1 ZINC000482636143 995631405 /nfs/dbraw/zinc/63/14/05/995631405.db2.gz ZAWOIFCOVHNAAD-SFHVURJKSA-N 0 2 405.483 3.723 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccc2nc(C(F)(F)F)cn2c1 ZINC000474928111 995806484 /nfs/dbraw/zinc/80/64/84/995806484.db2.gz GMZVXFAGDPBRPI-UHFFFAOYSA-N 0 2 408.290 3.669 20 0 HHADLN CC(C)c1cccc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)n1 ZINC000474953773 995823220 /nfs/dbraw/zinc/82/32/20/995823220.db2.gz MQLWBONGUXKKMN-UHFFFAOYSA-N 0 2 402.501 3.715 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@@H](c1nccs1)c1ccccc1 ZINC000482985316 995901994 /nfs/dbraw/zinc/90/19/94/995901994.db2.gz RYDHNIUCKPHJMC-OAHLLOKOSA-N 0 2 411.512 3.784 20 0 HHADLN Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)c1c[nH]c2c(C)cccc2c1=O ZINC000483120393 995988046 /nfs/dbraw/zinc/98/80/46/995988046.db2.gz UFTNBDKUXPTPDA-UHFFFAOYSA-N 0 2 420.469 3.889 20 0 HHADLN CCSc1cccc(C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)c1 ZINC000483128473 995992350 /nfs/dbraw/zinc/99/23/50/995992350.db2.gz FVSSMZWYUDPRNT-UHFFFAOYSA-N 0 2 420.541 3.703 20 0 HHADLN Cc1cccc2c(=O)c(C(=O)N3CCO[C@@H](c4ccc(OC(F)F)cc4)C3)c[nH]c12 ZINC000483297271 996086199 /nfs/dbraw/zinc/08/61/99/996086199.db2.gz SQPLTNHJJNEDQP-GOSISDBHSA-N 0 2 414.408 3.652 20 0 HHADLN C[C@@H](NC(=O)N=c1nc(-c2ccccc2)[nH]s1)c1nc(-c2cccc(F)c2)no1 ZINC000475665370 996287339 /nfs/dbraw/zinc/28/73/39/996287339.db2.gz VWYJKVNVZKLGBN-LLVKDONJSA-N 0 2 410.434 3.699 20 0 HHADLN Cc1oncc1C(=O)Nc1cccc(NS(=O)(=O)c2cc(F)c(C)cc2F)c1 ZINC000475738020 996337299 /nfs/dbraw/zinc/33/72/99/996337299.db2.gz NUYOEEPUDFSADB-UHFFFAOYSA-N 0 2 407.398 3.623 20 0 HHADLN O=S(=O)(Nc1ccc(-c2csc(C(F)(F)F)n2)cc1)c1cnc2n1CCC2 ZINC000475838326 996406455 /nfs/dbraw/zinc/40/64/55/996406455.db2.gz UPQKUZAHNCHTMS-UHFFFAOYSA-N 0 2 414.434 3.772 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2c(-c3ccncc3)nc3ccccn32)cc1F ZINC000476085745 996586616 /nfs/dbraw/zinc/58/66/16/996586616.db2.gz SQHLQAXILSNUHD-UHFFFAOYSA-N 0 2 400.410 3.784 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)[N-]c2c(-c3ccncc3)[nH+]c3ccccn32)cc1F ZINC000476085745 996586623 /nfs/dbraw/zinc/58/66/23/996586623.db2.gz SQHLQAXILSNUHD-UHFFFAOYSA-N 0 2 400.410 3.784 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cc(OC)c(C(C)C)c(OC)c2)cc1OC ZINC000484196018 996629494 /nfs/dbraw/zinc/62/94/94/996629494.db2.gz BJOHBTAEOHDVJX-UHFFFAOYSA-N 0 2 413.467 3.784 20 0 HHADLN CC(C)Oc1cc(F)ccc1NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000484234008 996649514 /nfs/dbraw/zinc/64/95/14/996649514.db2.gz OHEHBYLITYJTMV-UHFFFAOYSA-N 0 2 424.469 3.789 20 0 HHADLN C[C@H]1CCCN(Cc2csc(NC(=O)c3[nH]cnc3C(=O)c3ccccc3)n2)C1 ZINC000484274201 996672454 /nfs/dbraw/zinc/67/24/54/996672454.db2.gz KFBHUGSPWHXYSG-AWEZNQCLSA-N 0 2 409.515 3.581 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)CCc3ccc(OC)c(Cl)c3)s[nH]2)c1 ZINC000476283102 996729649 /nfs/dbraw/zinc/72/96/49/996729649.db2.gz GWYPPRGLVSDGSX-UHFFFAOYSA-N 0 2 403.891 3.869 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(C4CC4)nc4onc(C)c43)s[nH]2)c1 ZINC000476290126 996734544 /nfs/dbraw/zinc/73/45/44/996734544.db2.gz TXWNUTVMGHQTOX-UHFFFAOYSA-N 0 2 407.455 3.610 20 0 HHADLN CCOc1ccc(OCCCC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)cc1 ZINC000476318407 996753108 /nfs/dbraw/zinc/75/31/08/996753108.db2.gz ASEBUVAALIQKGU-UHFFFAOYSA-N 0 2 413.499 3.832 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)COc3ccccc3C(F)(F)F)s[nH]2)c1 ZINC000476326039 996757280 /nfs/dbraw/zinc/75/72/80/996757280.db2.gz RFXRUFCCBXUKAX-UHFFFAOYSA-N 0 2 409.389 3.672 20 0 HHADLN C/C=C/c1ccc(OCC(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)c(OC)c1 ZINC000476328113 996758800 /nfs/dbraw/zinc/75/88/00/996758800.db2.gz XKKVXIHTGBOCJP-GQCTYLIASA-N 0 2 411.483 3.695 20 0 HHADLN CCCCCn1nc(C)cc1NS(=O)(=O)c1ccc(C(=O)N(CC)CC)cc1 ZINC000484439179 996764436 /nfs/dbraw/zinc/76/44/36/996764436.db2.gz JMCXYNBFSCYYOK-UHFFFAOYSA-N 0 2 406.552 3.665 20 0 HHADLN O=C(N[C@H](c1ccccc1)C1CC1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476397872 996854026 /nfs/dbraw/zinc/85/40/26/996854026.db2.gz NMYMGBPBDNCQMG-GOSISDBHSA-N 0 2 413.524 3.825 20 0 HHADLN CSc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000476424862 996892347 /nfs/dbraw/zinc/89/23/47/996892347.db2.gz SMONONOERZQYGF-UHFFFAOYSA-N 0 2 405.526 3.918 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cc(-c3ccc(Cl)cc3)ncn2)cc1 ZINC000476430901 996901333 /nfs/dbraw/zinc/90/13/33/996901333.db2.gz RDRFAWISESNPKP-UHFFFAOYSA-N 0 2 416.890 3.581 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3ccc(Br)cc3)o2)cc1 ZINC000476446075 996918616 /nfs/dbraw/zinc/91/86/16/996918616.db2.gz BGRMBYRDDQLTPC-UHFFFAOYSA-N 0 2 424.276 3.699 20 0 HHADLN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(C)=O)c3ccccc32)c1 ZINC000476518028 997007483 /nfs/dbraw/zinc/00/74/83/997007483.db2.gz WMKFOTABGMGJRX-UHFFFAOYSA-N 0 2 400.456 3.616 20 0 HHADLN C[C@H]1CCC[C@H](CCNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000476533602 997023308 /nfs/dbraw/zinc/02/33/08/997023308.db2.gz KTHOQKSBQGGAJU-LSDHHAIUSA-N 0 2 407.561 3.890 20 0 HHADLN CC(=O)N(CCc1ccccc1)CC(=O)Nc1c(F)ccc(C)c1Br ZINC000484709905 997048685 /nfs/dbraw/zinc/04/86/85/997048685.db2.gz WMPBSGGLCLNITF-UHFFFAOYSA-N 0 2 407.283 3.926 20 0 HHADLN CCCOc1cccc(NC(=O)C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)c1 ZINC000484709770 997048694 /nfs/dbraw/zinc/04/86/94/997048694.db2.gz AWZRFWUYOMFZHJ-UHFFFAOYSA-N 0 2 420.513 3.936 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CCCc4cn[nH]c43)cc2)cc1C ZINC000484759275 997100960 /nfs/dbraw/zinc/10/09/60/997100960.db2.gz WIHODYRCUSELNR-HXUWFJFHSA-N 0 2 424.526 3.635 20 0 HHADLN O=C(Nc1cccc(OCCF)c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476694729 997234610 /nfs/dbraw/zinc/23/46/10/997234610.db2.gz JBSYOYMCORUXSC-UHFFFAOYSA-N 0 2 421.475 3.545 20 0 HHADLN C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)[C@H]1c1ccccc1 ZINC000476696143 997236486 /nfs/dbraw/zinc/23/64/86/997236486.db2.gz VMTZRFVONOVUBT-RDTXWAMCSA-N 0 2 413.524 3.777 20 0 HHADLN O=C(Nc1cccc2ncccc21)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476724183 997271868 /nfs/dbraw/zinc/27/18/68/997271868.db2.gz JEQFUFQOCOFOPO-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(C)c1 ZINC000476749046 997303503 /nfs/dbraw/zinc/30/35/03/997303503.db2.gz UIFQVPFUKYUYEA-UHFFFAOYSA-N 0 2 417.512 3.903 20 0 HHADLN Cc1cc2cc(NC(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)ccc2[nH]1 ZINC000476750318 997305655 /nfs/dbraw/zinc/30/56/55/997305655.db2.gz XEMPFBCIWOOICT-UHFFFAOYSA-N 0 2 412.496 3.986 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccnc(Sc3ccccn3)c2)cc1OC ZINC000485074319 997442663 /nfs/dbraw/zinc/44/26/63/997442663.db2.gz AUSGQHRZDRKDOO-UHFFFAOYSA-N 0 2 421.475 3.585 20 0 HHADLN CCCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000485126587 997511232 /nfs/dbraw/zinc/51/12/32/997511232.db2.gz RSMXJHZYQGUPDQ-UHFFFAOYSA-N 0 2 404.385 3.785 20 0 HHADLN O=S(=O)(Nc1ccccc1Oc1ccncc1)c1cncc(Br)c1 ZINC000476937981 997553223 /nfs/dbraw/zinc/55/32/23/997553223.db2.gz LWRIRDXMUBXQGV-UHFFFAOYSA-N 0 2 406.261 3.832 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2Cl)nc1C(C)(C)C ZINC000476940922 997556354 /nfs/dbraw/zinc/55/63/54/997556354.db2.gz ODIKTVQVFIIZBI-UHFFFAOYSA-N 0 2 402.925 3.990 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(Br)c(F)cc2F)cc(OC)c1 ZINC000485259080 997651494 /nfs/dbraw/zinc/65/14/94/997651494.db2.gz UKNQYGQAHBLGGI-UHFFFAOYSA-N 0 2 408.220 3.545 20 0 HHADLN CC(C)(C)n1cc(NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cn1 ZINC000485358916 997782795 /nfs/dbraw/zinc/78/27/95/997782795.db2.gz OTHLVVISTJNNCF-UHFFFAOYSA-N 0 2 420.520 3.539 20 0 HHADLN C[C@@H]1CCC[C@H](CNC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000485361633 997786826 /nfs/dbraw/zinc/78/68/26/997786826.db2.gz KOBBBYFEDALCOU-KGLIPLIRSA-N 0 2 408.549 3.892 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N[C@@H]1CCCc2occc21 ZINC000485369792 997795298 /nfs/dbraw/zinc/79/52/98/997795298.db2.gz JQDKAMCSUVFGJJ-OAHLLOKOSA-N 0 2 418.500 3.736 20 0 HHADLN C[C@@H]1CCC[C@H](C)N(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C1 ZINC000485374801 997801348 /nfs/dbraw/zinc/80/13/48/997801348.db2.gz XHNXRBVJXNTFDW-KGLIPLIRSA-N 0 2 408.549 3.986 20 0 HHADLN C[C@@H]1CCC[C@H](C)CN1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485374802 997801532 /nfs/dbraw/zinc/80/15/32/997801532.db2.gz XHNXRBVJXNTFDW-UONOGXRCSA-N 0 2 408.549 3.986 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N1CCC[C@H]1C1CCC1 ZINC000485376699 997803700 /nfs/dbraw/zinc/80/37/00/997803700.db2.gz LCIKIPVEAXGUNA-INIZCTEOSA-N 0 2 406.533 3.740 20 0 HHADLN O=C1CCOc2c(NS(=O)(=O)c3cc(Cl)ccc3Br)cccc21 ZINC000485392281 997820117 /nfs/dbraw/zinc/82/01/17/997820117.db2.gz FTILQBCWLYVZCN-UHFFFAOYSA-N 0 2 416.680 3.869 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)c2ccccc12 ZINC000477249443 997923980 /nfs/dbraw/zinc/92/39/80/997923980.db2.gz LYONVTPUYDAOIB-UHFFFAOYSA-N 0 2 406.467 3.785 20 0 HHADLN CCc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485492321 997944149 /nfs/dbraw/zinc/94/41/49/997944149.db2.gz QQUNRLDSVGTMCZ-UHFFFAOYSA-N 0 2 417.512 3.524 20 0 HHADLN COC(=O)Cc1cccc(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1 ZINC000477392274 998079389 /nfs/dbraw/zinc/07/93/89/998079389.db2.gz LJSJBGRBFRUIHU-UHFFFAOYSA-N 0 2 407.797 3.875 20 0 HHADLN CCOc1cc(CNC(=O)C2=NN(c3ccccc3)CC2=O)ccc1OC(F)F ZINC000485781994 998255095 /nfs/dbraw/zinc/25/50/95/998255095.db2.gz FPMHXTKMGKXJKQ-UHFFFAOYSA-N 0 2 403.385 3.508 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3C)n[nH]2)cc1OCC ZINC000485885271 998339456 /nfs/dbraw/zinc/33/94/56/998339456.db2.gz XUDRKHIZETUWRG-UHFFFAOYSA-N 0 2 401.488 3.983 20 0 HHADLN COC(=O)c1c(C)c(NS(=O)(=O)c2ccc(C)cc2F)ccc1Br ZINC000486071528 998518498 /nfs/dbraw/zinc/51/84/98/998518498.db2.gz SHZVAPNMHQDNQO-UHFFFAOYSA-N 0 2 416.268 3.792 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cnn(CCC(C)C)c2C(C)C)c1C ZINC000486097552 998545331 /nfs/dbraw/zinc/54/53/31/998545331.db2.gz PYJVMUDVVTUROD-UHFFFAOYSA-N 0 2 424.567 3.975 20 0 HHADLN CC(=O)N(C)c1ccc(S(=O)(=O)Nc2cnn(CCC(C)C)c2C(C)C)cc1 ZINC000486103373 998550772 /nfs/dbraw/zinc/55/07/72/998550772.db2.gz URAIFTDQVKDUEF-UHFFFAOYSA-N 0 2 406.552 3.836 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(Br)c(C)cc2C)cnn1-c1ccccn1 ZINC000486125210 998573507 /nfs/dbraw/zinc/57/35/07/998573507.db2.gz HMPGVHDMHOBRGJ-UHFFFAOYSA-N 0 2 421.320 3.756 20 0 HHADLN Cc1cc(Br)cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1 ZINC000486126749 998575326 /nfs/dbraw/zinc/57/53/26/998575326.db2.gz JRTXKWGYWJUEOU-UHFFFAOYSA-N 0 2 413.268 3.582 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1cc(Br)c(C)cc1C ZINC000486128974 998577089 /nfs/dbraw/zinc/57/70/89/998577089.db2.gz ONYNILUEWCPCBT-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN COC(=O)CCc1csc(NS(=O)(=O)c2ccc(Cl)c3ccccc32)n1 ZINC000486552541 998821826 /nfs/dbraw/zinc/82/18/26/998821826.db2.gz WDORPMAWRUDVHU-UHFFFAOYSA-N 0 2 410.904 3.856 20 0 HHADLN Cn1nc(-c2ccsc2)cc1NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000486563068 998827436 /nfs/dbraw/zinc/82/74/36/998827436.db2.gz RLGKYCNXUAFVOD-UHFFFAOYSA-N 0 2 417.434 3.891 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)n(-c2cc(C)ccn2)n1 ZINC000486566007 998829732 /nfs/dbraw/zinc/82/97/32/998829732.db2.gz XXJDCDMBAKKQTR-UHFFFAOYSA-N 0 2 412.393 3.584 20 0 HHADLN CC1(C)CCc2nc(NS(=O)(=O)c3ccc(Br)s3)ncc2C1 ZINC000486572486 998834332 /nfs/dbraw/zinc/83/43/32/998834332.db2.gz DWXLJNWLKJRNIH-UHFFFAOYSA-N 0 2 402.339 3.616 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C(C)C)c1 ZINC000486591307 998845009 /nfs/dbraw/zinc/84/50/09/998845009.db2.gz KAIPAOILLZNXNG-UHFFFAOYSA-N 0 2 401.488 3.949 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)c1 ZINC000486630390 998866577 /nfs/dbraw/zinc/86/65/77/998866577.db2.gz OXJBPYDEVDGKOF-UHFFFAOYSA-N 0 2 412.467 3.502 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1cnn(Cc2ccccc2Cl)c1 ZINC000478318853 998885055 /nfs/dbraw/zinc/88/50/55/998885055.db2.gz YPUMETJSOXWBJV-UHFFFAOYSA-N 0 2 414.803 3.900 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1ccc2cccc(Br)c2n1 ZINC000486921302 999007265 /nfs/dbraw/zinc/00/72/65/999007265.db2.gz WSAFSDSUMHEGCM-UHFFFAOYSA-N 0 2 407.289 3.945 20 0 HHADLN O=C(NCc1cccc(COCC(F)(F)F)c1)C1=NN(c2ccccc2)CC1=O ZINC000486990326 999028988 /nfs/dbraw/zinc/02/89/88/999028988.db2.gz XUCZRKWJCBQPHE-UHFFFAOYSA-N 0 2 405.376 3.587 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)CCC(=O)c3cc(C)sc3C)s[nH]2)c1 ZINC000478671682 999080787 /nfs/dbraw/zinc/08/07/87/999080787.db2.gz CTWLJFVJDIRZRR-UHFFFAOYSA-N 0 2 401.513 3.916 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NC[C@H](c3ccccc3)C(F)(F)F)=N2)cc1 ZINC000487267204 999118080 /nfs/dbraw/zinc/11/80/80/999118080.db2.gz BBVGZHBSCDAAIS-MRXNPFEDSA-N 0 2 405.376 3.662 20 0 HHADLN CC(C)(C)S(=O)(=O)Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000487316304 999133216 /nfs/dbraw/zinc/13/32/16/999133216.db2.gz SYWKLSTZYYFDLH-UHFFFAOYSA-N 0 2 419.927 3.993 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000478905256 999203245 /nfs/dbraw/zinc/20/32/45/999203245.db2.gz HOSYHQFEZDFOKM-LSDHHAIUSA-N 0 2 402.426 3.906 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1nc2c(cc(F)c(F)c2F)s1 ZINC000479070996 999280003 /nfs/dbraw/zinc/28/00/03/999280003.db2.gz QZNSQLXYXMHVCU-UHFFFAOYSA-N 0 2 404.391 3.532 20 0 HHADLN CC(=O)Nc1ccc2nc(NS(=O)(=O)c3ccc4ncsc4c3)sc2c1 ZINC000479082881 999285378 /nfs/dbraw/zinc/28/53/78/999285378.db2.gz DPNKAKACYZOHMJ-UHFFFAOYSA-N 0 2 404.498 3.665 20 0 HHADLN Cc1ccc(Cc2nnc(NS(=O)(=O)c3ccc4ncsc4c3)s2)cc1 ZINC000479163516 999304256 /nfs/dbraw/zinc/30/42/56/999304256.db2.gz YLMAZYSPHZUIDO-UHFFFAOYSA-N 0 2 402.526 3.848 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccccc2)cnn1-c1cc(F)c(OC)cc1F ZINC000479255869 999350207 /nfs/dbraw/zinc/35/02/07/999350207.db2.gz OFVIJMHWYRBIBT-UHFFFAOYSA-N 0 2 407.442 3.912 20 0 HHADLN O=C(C1=NN(c2ccccc2)CC1=O)N1CCO[C@@H](c2ccc(F)cc2Cl)C1 ZINC000479269936 999357296 /nfs/dbraw/zinc/35/72/96/999357296.db2.gz MWYQPPCREOGRBP-GOSISDBHSA-N 0 2 401.825 3.584 20 0 HHADLN O=C(C1=NN(c2ccccc2)CC1=O)N1CCO[C@H](c2ccc(F)cc2Cl)C1 ZINC000479269938 999357363 /nfs/dbraw/zinc/35/73/63/999357363.db2.gz MWYQPPCREOGRBP-SFHVURJKSA-N 0 2 401.825 3.584 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(/C=C\c3ccco3)s2)cc1OCC ZINC000479273737 999359248 /nfs/dbraw/zinc/35/92/48/999359248.db2.gz DBDSNHQCDDYWCM-YFHOEESVSA-N 0 2 421.500 3.900 20 0 HHADLN C[C@H]1CC(=Cc2ccco2)c2nc3ccccc3c(C(=O)NCc3n[nH]c(=O)[nH]3)c2C1 ZINC000479373994 999410019 /nfs/dbraw/zinc/41/00/19/999410019.db2.gz HFBMQWGCBZEYKC-UROBUVALSA-N 0 2 415.453 3.704 20 0 HHADLN COc1ccc(C)cc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000488289500 999425369 /nfs/dbraw/zinc/42/53/69/999425369.db2.gz FRUBYJODPYZQPI-AWEZNQCLSA-N 0 2 411.907 3.873 20 0 HHADLN CC(C)Oc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 ZINC000479457674 999426394 /nfs/dbraw/zinc/42/63/94/999426394.db2.gz PAIGRRHUSWDOFU-UHFFFAOYSA-N 0 2 406.479 3.650 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000479510965 999452185 /nfs/dbraw/zinc/45/21/85/999452185.db2.gz KIGNDPXQAFHYDK-UHFFFAOYSA-N 0 2 418.515 3.521 20 0 HHADLN COc1cc(OC)c(NS(=O)(=O)c2ccc(C)cc2F)cc1Br ZINC000488372581 999462578 /nfs/dbraw/zinc/46/25/78/999462578.db2.gz WEENQMGJKXBVHF-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1cccc(C(C)(C)C)c1O ZINC000479565898 999480864 /nfs/dbraw/zinc/48/08/64/999480864.db2.gz KGHOYLJOJNSGIC-UHFFFAOYSA-N 0 2 418.515 3.848 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1ccc(OC(F)F)c2cccnc12 ZINC000479570342 999482962 /nfs/dbraw/zinc/48/29/62/999482962.db2.gz PKHMTZNQJCDIMX-UHFFFAOYSA-N 0 2 424.425 3.662 20 0 HHADLN CC(=O)Nc1cccnc1NS(=O)(=O)c1ccc(OCC2CCCCC2)cc1 ZINC000488428191 999484452 /nfs/dbraw/zinc/48/44/52/999484452.db2.gz HBDIEQSJEQCJGO-UHFFFAOYSA-N 0 2 403.504 3.800 20 0 HHADLN O=S(=O)(Nc1cnccc1-n1cccn1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488554072 999526280 /nfs/dbraw/zinc/52/62/80/999526280.db2.gz XYIMHGHLWFAITE-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN CC1(C)CN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)CC[C@H]1C(F)(F)F ZINC000479757433 999575334 /nfs/dbraw/zinc/57/53/34/999575334.db2.gz REVNECWCIQKZFN-CQSZACIVSA-N 0 2 411.428 3.504 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccc(OCc2ccncc2)cc1 ZINC000479762855 999578516 /nfs/dbraw/zinc/57/85/16/999578516.db2.gz FBCLKLLOADKMMA-UHFFFAOYSA-N 0 2 407.380 3.976 20 0 HHADLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1ccc(-c2ccc(OC(F)(F)F)cc2)s1 ZINC000480032547 999694415 /nfs/dbraw/zinc/69/44/15/999694415.db2.gz YPBDJHOCAKFIIO-UHFFFAOYSA-N 0 2 412.393 3.500 20 0 HHADLN O=C(NCCCc1n[nH]c(=O)[nH]1)c1ccccc1Oc1ccc(Cl)cc1Cl ZINC000480044891 999699334 /nfs/dbraw/zinc/69/93/34/999699334.db2.gz YRPOCBWSYIUDOZ-UHFFFAOYSA-N 0 2 407.257 3.972 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000480052589 999702954 /nfs/dbraw/zinc/70/29/54/999702954.db2.gz YEKNLAFJUHQVOG-ZACQAIPSSA-N 0 2 412.540 3.725 20 0 HHADLN Cc1ccc(OCc2nc(NS(=O)(=O)c3ccc(OC(C)C)c(C)c3)no2)cc1 ZINC000480164131 999734616 /nfs/dbraw/zinc/73/46/16/999734616.db2.gz UGQBWIFDPVDTKA-UHFFFAOYSA-N 0 2 417.487 3.853 20 0 HHADLN CCc1c(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)cnn1C(CC)CC ZINC000480191945 999741079 /nfs/dbraw/zinc/74/10/79/999741079.db2.gz DURRMSYHPMHUIP-UHFFFAOYSA-N 0 2 405.499 3.932 20 0 HHADLN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1OC ZINC000480191952 999741093 /nfs/dbraw/zinc/74/10/93/999741093.db2.gz DVKARKWIOHJUPD-UHFFFAOYSA-N 0 2 404.271 3.898 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)c(F)c1 ZINC000480211000 999746587 /nfs/dbraw/zinc/74/65/87/999746587.db2.gz ATDQHWRXQQESJC-CQSZACIVSA-N 0 2 406.479 3.650 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)COC3)cnn1-c1ccc(Cl)cc1 ZINC000480217023 999748054 /nfs/dbraw/zinc/74/80/54/999748054.db2.gz ADYPCSSZQQDKES-UHFFFAOYSA-N 0 2 403.891 3.919 20 0 HHADLN CCOC(=O)c1cc(CC)sc1NS(=O)(=O)c1ccc(NC(=O)CC)cc1 ZINC000480230302 999751293 /nfs/dbraw/zinc/75/12/93/999751293.db2.gz CJXVLQAJBYEEHN-UHFFFAOYSA-N 0 2 410.517 3.637 20 0 HHADLN CN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)c1 ZINC000480233218 999752053 /nfs/dbraw/zinc/75/20/53/999752053.db2.gz PZZAVAKZUURTAW-CQSZACIVSA-N 0 2 421.588 3.797 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)c1C ZINC000480243183 999754720 /nfs/dbraw/zinc/75/47/20/999754720.db2.gz DLCCJMXJFPQQEV-HIFRSBDPSA-N 0 2 411.499 3.518 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2c(C)cccc2OC(F)F)c1C ZINC000489742810 999829183 /nfs/dbraw/zinc/82/91/83/999829183.db2.gz JIAZMSFFMTWAJB-UHFFFAOYSA-N 0 2 402.419 3.519 20 0 HHADLN O=C(CCc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000490088522 999891201 /nfs/dbraw/zinc/89/12/01/999891201.db2.gz OUQBQEPEPGQLKD-UHFFFAOYSA-N 0 2 422.919 3.564 20 0 HHADLN Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)c1Cl ZINC000490092526 999892132 /nfs/dbraw/zinc/89/21/32/999892132.db2.gz WIADBMXYZOUMNU-UHFFFAOYSA-N 0 2 408.892 3.553 20 0 HHADLN Cc1ccc(/C=C\CC(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)cc1 ZINC000490091802 999892152 /nfs/dbraw/zinc/89/21/52/999892152.db2.gz UXGVNVLQXQMEJB-IHWYPQMZSA-N 0 2 414.512 3.689 20 0 HHADLN Cc1cn2cc(NC(=O)c3nn(-c4ccccc4C(F)(F)F)cc3[O-])ccc2[nH+]1 ZINC000490242832 999919783 /nfs/dbraw/zinc/91/97/83/999919783.db2.gz MBUVIHVBQCLROS-UHFFFAOYSA-N 0 2 401.348 3.805 20 0 HHADLN CCc1c(NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)cnn1CCC(C)C ZINC000491592170 1000087046 /nfs/dbraw/zinc/08/70/46/1000087046.db2.gz RXEVSAIFMJGWMC-UHFFFAOYSA-N 0 2 413.927 3.732 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cc(C(C)C)nn2-c2ncccn2)ccc1OC(C)C ZINC000492048174 1000106646 /nfs/dbraw/zinc/10/66/46/1000106646.db2.gz UXHBDYHDBAZPHP-UHFFFAOYSA-N 0 2 415.519 3.682 20 0 HHADLN CC(C)(C)c1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)n(-c2ncccn2)n1 ZINC000492085895 1000108930 /nfs/dbraw/zinc/10/89/30/1000108930.db2.gz ZODVGVYKSHETMC-UHFFFAOYSA-N 0 2 411.531 3.639 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2[nH]nc(C)c2-c2ccc3c(c2)OCO3)cc1C ZINC000494476978 1000513017 /nfs/dbraw/zinc/51/30/17/1000513017.db2.gz WBFIMUKNAFVPFF-UHFFFAOYSA-N 0 2 415.471 3.540 20 0 HHADLN CC[C@@H]1CN(C(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)CCN1CC(F)F ZINC000494596730 1000568356 /nfs/dbraw/zinc/56/83/56/1000568356.db2.gz AJAJARFRUQXGTK-MRXNPFEDSA-N 0 2 406.477 3.503 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1ccnc(NC(=O)C2CC2)c1 ZINC000505276012 1000663803 /nfs/dbraw/zinc/66/38/03/1000663803.db2.gz ZLBLTJCDEDIGJY-UHFFFAOYSA-N 0 2 417.256 3.774 20 0 HHADLN O=C(C[C@@H](c1cccs1)n1cccc1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000505601970 1000929108 /nfs/dbraw/zinc/92/91/08/1000929108.db2.gz JEWZRKGIDQJMIT-KRWDZBQOSA-N 0 2 407.499 3.543 20 0 HHADLN COc1ccc(C(=O)CCC(=O)N=c2nc(-c3ccccc3)[nH]s2)c(Cl)c1 ZINC000505805293 1001035520 /nfs/dbraw/zinc/03/55/20/1001035520.db2.gz OBFJXMSEKURZCR-UHFFFAOYSA-N 0 2 401.875 3.891 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCO[C@@H](COc4ccccc4)C3)=N2)c1 ZINC000506358661 1001375709 /nfs/dbraw/zinc/37/57/09/1001375709.db2.gz YUXBQWMWDFGCEB-OAQYLSRUSA-N 0 2 421.497 3.621 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1ccnc2ccncc21 ZINC000497564151 1001437335 /nfs/dbraw/zinc/43/73/35/1001437335.db2.gz PXZZHBRKXWCGNL-UHFFFAOYSA-N 0 2 413.210 3.569 20 0 HHADLN COCc1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)c1 ZINC000506691322 1001495291 /nfs/dbraw/zinc/49/52/91/1001495291.db2.gz XTTZSKKXUCAGOU-UHFFFAOYSA-N 0 2 404.271 3.727 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CSCCC(C)C)cc2)nc(C)n1 ZINC000506807670 1001541084 /nfs/dbraw/zinc/54/10/84/1001541084.db2.gz UONHESPATRFUNG-UHFFFAOYSA-N 0 2 422.576 3.612 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)c1 ZINC000506817504 1001547083 /nfs/dbraw/zinc/54/70/83/1001547083.db2.gz GHOWAKKLMMZLJM-UHFFFAOYSA-N 0 2 419.528 3.778 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc3c(s2)C[C@H](CC)CC3)c1 ZINC000506822206 1001549502 /nfs/dbraw/zinc/54/95/02/1001549502.db2.gz PFBPFWBOQULWQB-CYBMUJFWSA-N 0 2 408.545 3.564 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 ZINC000506822189 1001549653 /nfs/dbraw/zinc/54/96/53/1001549653.db2.gz OXUONODPBXNKQE-UHFFFAOYSA-N 0 2 422.503 3.829 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nnc(C(C)(C)C)s1 ZINC000506822617 1001549903 /nfs/dbraw/zinc/54/99/03/1001549903.db2.gz PKFVARBOWZQQAQ-UHFFFAOYSA-N 0 2 424.331 3.730 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2nc3ccc(C)cc3s2)c1 ZINC000506852547 1001565867 /nfs/dbraw/zinc/56/58/67/1001565867.db2.gz WXIZKLZHAXACKZ-UHFFFAOYSA-N 0 2 406.485 3.591 20 0 HHADLN COc1ccc(NC(C)=O)c(NS(=O)(=O)c2cc(C)ccc2Br)c1 ZINC000498008929 1001602305 /nfs/dbraw/zinc/60/23/05/1001602305.db2.gz LNVZALSKGNOXIF-UHFFFAOYSA-N 0 2 413.293 3.525 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C)ccc2Br)c(OC)c1OC ZINC000498011970 1001603894 /nfs/dbraw/zinc/60/38/94/1001603894.db2.gz LBCUYISSQGJBQV-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](c3nc(C)cs3)C3CC3)s[nH]2)c1 ZINC000498210125 1001694482 /nfs/dbraw/zinc/69/44/82/1001694482.db2.gz MVYYHHFZQHSHFM-CQSZACIVSA-N 0 2 401.517 3.673 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](C)c3ccc(OC)c(F)c3)s[nH]2)c1 ZINC000498211154 1001695024 /nfs/dbraw/zinc/69/50/24/1001695024.db2.gz SPQZCCWREHGTAD-LLVKDONJSA-N 0 2 402.451 3.666 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3C[C@@H](C)O[C@H](c4ccsc4)C3)s[nH]2)c1 ZINC000498222882 1001707063 /nfs/dbraw/zinc/70/70/63/1001707063.db2.gz AGTVWRUVAPYAPL-WBMJQRKESA-N 0 2 416.528 3.691 20 0 HHADLN CCOc1ccc(C(=O)N2CCCCC2)cc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000507023040 1001769034 /nfs/dbraw/zinc/76/90/34/1001769034.db2.gz RLQGBKWPCLGKQY-UHFFFAOYSA-N 0 2 423.922 3.561 20 0 HHADLN CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)n1 ZINC000507159364 1001847304 /nfs/dbraw/zinc/84/73/04/1001847304.db2.gz BFAMVYSWSZGNKJ-GOSISDBHSA-N 0 2 419.529 3.693 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1Oc1ccc(C)nn1 ZINC000498511801 1001935050 /nfs/dbraw/zinc/93/50/50/1001935050.db2.gz XMAULTLWIUQUBT-UHFFFAOYSA-N 0 2 407.398 3.665 20 0 HHADLN COC(=O)c1scc(-c2ccc(C)cc2)c1NS(=O)(=O)C[C@H]1CCCCO1 ZINC000507630141 1002232743 /nfs/dbraw/zinc/23/27/43/1002232743.db2.gz NRAGRUHOVCYBNJ-OAHLLOKOSA-N 0 2 409.529 3.821 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc3nc(C4CC4)oc3c2)c1 ZINC000507886287 1002418409 /nfs/dbraw/zinc/41/84/09/1002418409.db2.gz GTDXXUPUFYKEKC-UHFFFAOYSA-N 0 2 416.455 3.691 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2cnn([C@@H](C)CC)c2C2CC2)c1 ZINC000507920120 1002454287 /nfs/dbraw/zinc/45/42/87/1002454287.db2.gz JXOCVIZJEWXOCT-AWEZNQCLSA-N 0 2 405.520 3.638 20 0 HHADLN CNC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc3occ(C)c3c2)c1OC ZINC000507931988 1002466227 /nfs/dbraw/zinc/46/62/27/1002466227.db2.gz AKBYGBMZSJXAFX-UHFFFAOYSA-N 0 2 408.863 3.564 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cc(F)c(SC)c(F)c2)c1 ZINC000507940454 1002474764 /nfs/dbraw/zinc/47/47/64/1002474764.db2.gz YKRPWPMDOACNJH-UHFFFAOYSA-N 0 2 417.455 3.673 20 0 HHADLN O=C(N[C@H](c1cccc(F)c1)c1ccccn1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499094208 1002485000 /nfs/dbraw/zinc/48/50/00/1002485000.db2.gz CPVRFOGXHASPPB-HXUWFJFHSA-N 0 2 406.392 3.771 20 0 HHADLN Cc1nc(-c2cccc(NS(=O)(=O)c3cnc4c(Cl)c(C)nn4c3)c2)oc1C ZINC000499151752 1002535484 /nfs/dbraw/zinc/53/54/84/1002535484.db2.gz ATHVRZWRCIPIIO-UHFFFAOYSA-N 0 2 417.878 3.764 20 0 HHADLN O=C(CCc1ncc(-c2ccccc2Br)o1)Nc1ccc2nn[nH]c2c1 ZINC000508026555 1002549316 /nfs/dbraw/zinc/54/93/16/1002549316.db2.gz VBZQNQOHQQLXAI-UHFFFAOYSA-N 0 2 412.247 3.947 20 0 HHADLN O=S(=O)([N-]c1ccc(Cn2cc[nH+]c2)cn1)c1ccc(C(F)(F)F)cc1Cl ZINC000508067029 1002588595 /nfs/dbraw/zinc/58/85/95/1002588595.db2.gz GWOYUVLGWCESOQ-UHFFFAOYSA-N 0 2 416.812 3.799 20 0 HHADLN O=S(=O)(Nc1ncc(-c2cccnc2)s1)c1ccccc1OC(F)(F)F ZINC000508069951 1002592272 /nfs/dbraw/zinc/59/22/72/1002592272.db2.gz SWXNIYOKYKTCRF-UHFFFAOYSA-N 0 2 401.391 3.905 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3cccc(OC(F)F)c3)o2)sc1C ZINC000508097184 1002621651 /nfs/dbraw/zinc/62/16/51/1002621651.db2.gz SYURTDYFAQDNGI-UHFFFAOYSA-N 0 2 401.416 3.817 20 0 HHADLN Cc1cc(Br)cc(S(=O)(=O)Nc2nc(C3CCOCC3)cs2)c1 ZINC000508109138 1002635508 /nfs/dbraw/zinc/63/55/08/1002635508.db2.gz IDDANHZMAOMUQJ-UHFFFAOYSA-N 0 2 417.350 3.909 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(Br)c2)o1)c1ccc2c(c1)CCC2 ZINC000508110848 1002637620 /nfs/dbraw/zinc/63/76/20/1002637620.db2.gz RJAYSYCUAIXYQY-UHFFFAOYSA-N 0 2 420.288 3.789 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc(CC(F)(F)F)cc3)cnc2c1Cl ZINC000499272066 1002678484 /nfs/dbraw/zinc/67/84/84/1002678484.db2.gz JMIFVDHSFSIFEO-UHFFFAOYSA-N 0 2 404.801 3.597 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cccc(CCC(F)(F)F)c3)cnc2c1Cl ZINC000499285349 1002696272 /nfs/dbraw/zinc/69/62/72/1002696272.db2.gz VQFARWIXMDQYJQ-UHFFFAOYSA-N 0 2 418.828 3.987 20 0 HHADLN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2cc(Cl)ccc2O)c1 ZINC000499295970 1002705859 /nfs/dbraw/zinc/70/58/59/1002705859.db2.gz LZRPOBYKZJNYAR-UHFFFAOYSA-N 0 2 405.701 3.675 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1nnc(-c2ccc(Cl)cc2F)n1C ZINC000508182724 1002717978 /nfs/dbraw/zinc/71/79/78/1002717978.db2.gz ZNBQRHHHJWOIIO-UHFFFAOYSA-N 0 2 404.858 3.621 20 0 HHADLN Cc1cnn(C)c1S(=O)(=O)Nc1nc(C)c(Cc2cccc(Cl)c2F)s1 ZINC000508194422 1002729612 /nfs/dbraw/zinc/72/96/12/1002729612.db2.gz LJPRLTHUPBPAPT-UHFFFAOYSA-N 0 2 414.915 3.678 20 0 HHADLN O=S(=O)(Nc1noc(COc2ccc(F)cc2)n1)c1csc2ccccc21 ZINC000508199321 1002733281 /nfs/dbraw/zinc/73/32/81/1002733281.db2.gz KTNPHZPAPIAMKV-UHFFFAOYSA-N 0 2 405.432 3.803 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccco2)o1)c1cc(Cl)c(Br)cc1F ZINC000508209619 1002741881 /nfs/dbraw/zinc/74/18/81/1002741881.db2.gz ZJMIGVOEPUHLBQ-UHFFFAOYSA-N 0 2 422.619 3.685 20 0 HHADLN CC(C)c1ncc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)cn1 ZINC000508224635 1002753706 /nfs/dbraw/zinc/75/37/06/1002753706.db2.gz QWIOAZKYLAERRV-UHFFFAOYSA-N 0 2 408.680 3.956 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3csc4ccccc43)o2)cc1OC ZINC000508237167 1002763061 /nfs/dbraw/zinc/76/30/61/1002763061.db2.gz RUVGSMDXUSYXHL-UHFFFAOYSA-N 0 2 417.468 3.769 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCO[C@@H](c2ccccc2Cl)C1 ZINC000508272984 1002788099 /nfs/dbraw/zinc/78/80/99/1002788099.db2.gz WVNGRKMWECEQBY-MRXNPFEDSA-N 0 2 400.891 3.886 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2cccc3cccnc32)c1OC(C)C ZINC000499504369 1002893912 /nfs/dbraw/zinc/89/39/12/1002893912.db2.gz KIXXIUNGRANCLT-UHFFFAOYSA-N 0 2 400.456 3.609 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N(C)Cc3cccc(C(F)(F)F)c3)=N2)cc1 ZINC000499631831 1002998714 /nfs/dbraw/zinc/99/87/14/1002998714.db2.gz OKMBKZVMELJWQV-UHFFFAOYSA-N 0 2 405.376 3.878 20 0 HHADLN Cn1c2ccccc2nc1[C@H]1CCCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499669038 1003026154 /nfs/dbraw/zinc/02/61/54/1003026154.db2.gz MGZPMURXDVAUAF-GOSISDBHSA-N 0 2 405.433 3.581 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC(C(=O)c4ccc(C)cc4)CC3)=N2)cc1 ZINC000499692597 1003045099 /nfs/dbraw/zinc/04/50/99/1003045099.db2.gz HVSUHBBMAUYVKD-UHFFFAOYSA-N 0 2 419.481 3.630 20 0 HHADLN COc1ccc(OC)c([C@@H]2CCCN2C(=O)C2=NN(c3ccc(F)cc3)CC2=O)c1 ZINC000499709725 1003058534 /nfs/dbraw/zinc/05/85/34/1003058534.db2.gz CKQWLGIIDJQCRF-SFHVURJKSA-N 0 2 411.433 3.712 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC[C@@H]3c3ccc(OC)cc3OC)=N2)cc1 ZINC000499718810 1003067414 /nfs/dbraw/zinc/06/74/14/1003067414.db2.gz CTVOUKPNJNHKNF-LJQANCHMSA-N 0 2 423.469 3.581 20 0 HHADLN COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(Br)c([O-])c3)CC2)cc1 ZINC000499738488 1003083786 /nfs/dbraw/zinc/08/37/86/1003083786.db2.gz FQHQYLAYKNIBDC-UHFFFAOYSA-N 0 2 419.319 3.511 20 0 HHADLN COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Br)c([O-])c3)CC2)cc1 ZINC000499738488 1003083794 /nfs/dbraw/zinc/08/37/94/1003083794.db2.gz FQHQYLAYKNIBDC-UHFFFAOYSA-N 0 2 419.319 3.511 20 0 HHADLN CN(Cc1ccccc1Br)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499754133 1003096579 /nfs/dbraw/zinc/09/65/79/1003096579.db2.gz YMPPMDDUMNHUMT-UHFFFAOYSA-N 0 2 404.239 3.752 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000499842525 1003178850 /nfs/dbraw/zinc/17/88/50/1003178850.db2.gz IDPASCSHZCWVGE-UHFFFAOYSA-N 0 2 409.461 3.786 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](C)c3cccc(N4CCCC4)c3)=N2)cc1 ZINC000499874415 1003210601 /nfs/dbraw/zinc/21/06/01/1003210601.db2.gz VDQXNMXNUGNXII-MRXNPFEDSA-N 0 2 406.486 3.678 20 0 HHADLN CCN(C(=O)C1=NN(c2ccc(OC)cc2)CC1=O)[C@H](C)Cc1ccc(OC)cc1 ZINC000499982850 1003296941 /nfs/dbraw/zinc/29/69/41/1003296941.db2.gz XXZOLYOIYNGTOU-MRXNPFEDSA-N 0 2 409.486 3.688 20 0 HHADLN O=C(C[C@H]1CCCCCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1ccco1 ZINC000500147257 1003504658 /nfs/dbraw/zinc/50/46/58/1003504658.db2.gz NFNPRSXKADIVSC-QGZVFWFLSA-N 0 2 411.433 3.968 20 0 HHADLN Cc1cc(C(=O)N2CCCC[C@@H]2C)ccc1NS(=O)(=O)c1cccc2c1OCO2 ZINC000509067445 1003529528 /nfs/dbraw/zinc/52/95/28/1003529528.db2.gz PBPJMZWXHZKDTB-HNNXBMFYSA-N 0 2 416.499 3.539 20 0 HHADLN O=S(=O)(Nc1ccc(-c2nc[nH]n2)cc1)c1c(Cl)cccc1Br ZINC000509070861 1003531853 /nfs/dbraw/zinc/53/18/53/1003531853.db2.gz WZJJUGNOFBXAAA-UHFFFAOYSA-N 0 2 413.684 3.688 20 0 HHADLN CC(C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000500332441 1003630837 /nfs/dbraw/zinc/63/08/37/1003630837.db2.gz SWQAKCWQXNTFBL-UHFFFAOYSA-N 0 2 415.284 3.984 20 0 HHADLN CSc1cccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c1 ZINC000509218405 1003632030 /nfs/dbraw/zinc/63/20/30/1003632030.db2.gz OLJJOUYQTBYWMG-KRWDZBQOSA-N 0 2 400.529 3.719 20 0 HHADLN CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000500335653 1003633845 /nfs/dbraw/zinc/63/38/45/1003633845.db2.gz ZFNQHSVXOZMEJA-UHFFFAOYSA-N 0 2 401.257 3.656 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cccc3c2OCO3)sc1Cc1cccc(F)c1 ZINC000509225064 1003637471 /nfs/dbraw/zinc/63/74/71/1003637471.db2.gz PPPBYFDVVHMLFG-UHFFFAOYSA-N 0 2 406.460 3.711 20 0 HHADLN COC(=O)c1nscc1S(=O)(=O)Nc1ccc(-c2ccc(Cl)s2)nc1 ZINC000509233360 1003642971 /nfs/dbraw/zinc/64/29/71/1003642971.db2.gz KPNXQJQPSDJFMA-UHFFFAOYSA-N 0 2 415.905 3.507 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(cccc3Cl)s2)cc1OC ZINC000500474740 1003736789 /nfs/dbraw/zinc/73/67/89/1003736789.db2.gz IDVHGCMJLYIMQT-UHFFFAOYSA-N 0 2 412.876 3.546 20 0 HHADLN Cc1noc2ncc(S(=O)(=O)Nc3ccc(Br)c4cccnc34)cc12 ZINC000509375384 1003803042 /nfs/dbraw/zinc/80/30/42/1003803042.db2.gz KSQPGDLJFNBQFP-UHFFFAOYSA-N 0 2 419.260 3.643 20 0 HHADLN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000509413593 1003842847 /nfs/dbraw/zinc/84/28/47/1003842847.db2.gz FCABMTYNSGJDJS-UHFFFAOYSA-N 0 2 417.434 3.545 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CC[C@]4(C3)OCc3ccccc34)=N2)c1 ZINC000500651810 1003865473 /nfs/dbraw/zinc/86/54/73/1003865473.db2.gz NQZMTXRFZDADOG-XMMPIXPASA-N 0 2 403.482 3.973 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3cnn(C(C)C)c3c2)c(Cl)c1 ZINC000509580357 1003958529 /nfs/dbraw/zinc/95/85/29/1003958529.db2.gz YGKNVXDUFKOQAE-UHFFFAOYSA-N 0 2 407.879 3.858 20 0 HHADLN O=S(=O)(Nc1ccccc1COCc1ccccc1)c1cccc2c1OCCO2 ZINC000509593120 1003967521 /nfs/dbraw/zinc/96/75/21/1003967521.db2.gz WEKGDGAENFROFN-UHFFFAOYSA-N 0 2 411.479 3.975 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2cnc(C)o2)cc1 ZINC000509643978 1004001461 /nfs/dbraw/zinc/00/14/61/1004001461.db2.gz SJKBXVRFNBGTBQ-UHFFFAOYSA-N 0 2 406.847 3.891 20 0 HHADLN COC(=O)c1nccc2c1cccc2S(=O)(=O)Nc1nc2ccc(C)cc2s1 ZINC000500876863 1004022184 /nfs/dbraw/zinc/02/21/84/1004022184.db2.gz TUSFRMKQIMYNRT-UHFFFAOYSA-N 0 2 413.480 3.740 20 0 HHADLN COC(=O)c1nccc2c1cccc2S(=O)(=O)Nc1ccnn1[C@@H](C)CC(C)C ZINC000500879937 1004024120 /nfs/dbraw/zinc/02/41/20/1004024120.db2.gz FJVIVCINILNNOJ-AWEZNQCLSA-N 0 2 416.503 3.626 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H]3CCCc4cn(C5CCCC5)nc43)=N2)cc1 ZINC000509690488 1004032408 /nfs/dbraw/zinc/03/24/08/1004032408.db2.gz HTKOMHRUASANOJ-LJQANCHMSA-N 0 2 421.501 3.706 20 0 HHADLN O=S(=O)(NCc1nnc(COc2ccccc2)[nH]1)c1cccc(-c2ccccc2)c1 ZINC000509937031 1004218469 /nfs/dbraw/zinc/21/84/69/1004218469.db2.gz BLCYFXPKYHZJDY-UHFFFAOYSA-N 0 2 420.494 3.529 20 0 HHADLN CC[C@@H]1CN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[nH]2)C[C@H](C)[S@@]1=O ZINC000512422320 1004287739 /nfs/dbraw/zinc/28/77/39/1004287739.db2.gz ZCRFFBOPCSKVRX-KEEWRMCWSA-N 0 2 419.547 3.522 20 0 HHADLN CC(C)N(C)c1ccc(CNc2cccc(S(=O)(=O)Nc3nccs3)c2)cn1 ZINC000512652819 1004464564 /nfs/dbraw/zinc/46/45/64/1004464564.db2.gz RFEGFRJPIIKWCM-UHFFFAOYSA-N 0 2 417.560 3.796 20 0 HHADLN Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3ccc4c5c(cccc53)C(=O)N4C)c2C)o1 ZINC000512738522 1004529604 /nfs/dbraw/zinc/52/96/04/1004529604.db2.gz NUYGOANETIEQDC-UHFFFAOYSA-N 0 2 422.466 3.831 20 0 HHADLN CCCC(=O)Nc1cccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)OC)c1C ZINC000512759946 1004542890 /nfs/dbraw/zinc/54/28/90/1004542890.db2.gz GOSDKDUITDXOGZ-UHFFFAOYSA-N 0 2 408.476 3.531 20 0 HHADLN C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccc(F)c1F ZINC000501697797 1004616026 /nfs/dbraw/zinc/61/60/26/1004616026.db2.gz LEFSRUXZHIRBGH-NSHDSACASA-N 0 2 423.466 3.713 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CC[C@@H](n3ncc4ccccc43)C2)=N1 ZINC000512959134 1004728925 /nfs/dbraw/zinc/72/89/25/1004728925.db2.gz URRUHRLXUWWUGY-GOSISDBHSA-N 0 2 401.470 3.577 20 0 HHADLN COc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3cccc(C)c3F)c2)cn1 ZINC000513453141 1004973454 /nfs/dbraw/zinc/97/34/54/1004973454.db2.gz RDIGNPJSWMURBO-UHFFFAOYSA-N 0 2 415.446 3.591 20 0 HHADLN COc1ccc(Oc2ccc(S(=O)(=O)Nc3noc(C(C)(C)C)n3)cc2)cc1 ZINC000502397126 1005055486 /nfs/dbraw/zinc/05/54/86/1005055486.db2.gz DHEGPLQWFHRZJD-UHFFFAOYSA-N 0 2 403.460 3.969 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2nc3c(cccc3C)s2)c1 ZINC000502419081 1005067946 /nfs/dbraw/zinc/06/79/46/1005067946.db2.gz WKNALQYERSTBJE-UHFFFAOYSA-N 0 2 424.475 3.730 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1nc(C(C)C)cs1 ZINC000502432727 1005074035 /nfs/dbraw/zinc/07/40/35/1005074035.db2.gz SDCRCKKUDCCJSP-UHFFFAOYSA-N 0 2 409.302 3.978 20 0 HHADLN CCc1nc(NS(=O)(=O)c2cc(F)c(Br)cc2OC)sc1C ZINC000502455747 1005081603 /nfs/dbraw/zinc/08/16/03/1005081603.db2.gz MEOLHBOQZKXTHO-UHFFFAOYSA-N 0 2 409.302 3.725 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2cc(Cl)ccc2C)c1 ZINC000502499651 1005093642 /nfs/dbraw/zinc/09/36/42/1005093642.db2.gz GHLZRSQJVHIRQK-UHFFFAOYSA-N 0 2 401.843 3.774 20 0 HHADLN COc1ccc(C2(C(=O)N=c3nc(-c4cccnc4)[nH]s3)CC3(CCC3)C2)cc1 ZINC000502522615 1005100961 /nfs/dbraw/zinc/10/09/61/1005100961.db2.gz UFGZUGNOAFKYGV-UHFFFAOYSA-N 0 2 406.511 3.871 20 0 HHADLN Cc1nc(C(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)nn1-c1ccc(F)cc1 ZINC000513736672 1005102985 /nfs/dbraw/zinc/10/29/85/1005102985.db2.gz INFYCWVCQGCMBR-UHFFFAOYSA-N 0 2 413.416 3.905 20 0 HHADLN Cn1cnnc1-c1cncc(NS(=O)(=O)c2csc3ccc(Cl)cc32)c1 ZINC000513789054 1005127968 /nfs/dbraw/zinc/12/79/68/1005127968.db2.gz BTBQVLOWPLNXOK-UHFFFAOYSA-N 0 2 405.892 3.546 20 0 HHADLN Cc1nc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)nn1-c1ccccc1C(C)C ZINC000502723998 1005191834 /nfs/dbraw/zinc/19/18/34/1005191834.db2.gz PGVAUNFJVUSMRE-UHFFFAOYSA-N 0 2 404.499 3.892 20 0 HHADLN Cc1noc(CSc2ccc(C(=O)N=c3nc(-c4ccccc4)[nH]s3)cc2)n1 ZINC000502727361 1005193145 /nfs/dbraw/zinc/19/31/45/1005193145.db2.gz YQCRDQOCTGMTOG-UHFFFAOYSA-N 0 2 409.496 3.863 20 0 HHADLN Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000514008660 1005225811 /nfs/dbraw/zinc/22/58/11/1005225811.db2.gz OPJJZAPBKLFTEA-NSHDSACASA-N 0 2 420.516 3.681 20 0 HHADLN CC(C)(C)n1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000503958560 1005519249 /nfs/dbraw/zinc/51/92/49/1005519249.db2.gz DYZBQAHXFUUSHX-UHFFFAOYSA-N 0 2 413.499 3.877 20 0 HHADLN CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)[nH]n1 ZINC000504043136 1005539542 /nfs/dbraw/zinc/53/95/42/1005539542.db2.gz PGRPIUOEMIMPCU-CQSZACIVSA-N 0 2 413.503 3.761 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2cc(F)cc(Cl)c2)c1 ZINC000504055729 1005542017 /nfs/dbraw/zinc/54/20/17/1005542017.db2.gz HTKBPRXVDYJUJX-UHFFFAOYSA-N 0 2 405.806 3.604 20 0 HHADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@@H]1CCNC(=O)CCc1cccc(OC)c1 ZINC000514641780 1006068489 /nfs/dbraw/zinc/06/84/89/1006068489.db2.gz IGLAXTKXGXQSMB-JOCHJYFZSA-N 0 2 421.541 3.867 20 0 HHADLN COc1cc(Cl)c(Br)cc1C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000514785963 1006126522 /nfs/dbraw/zinc/12/65/22/1006126522.db2.gz YMSUULYCQQYFQD-UHFFFAOYSA-N 0 2 423.654 3.854 20 0 HHADLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2OC)s1 ZINC000534166368 1006149712 /nfs/dbraw/zinc/14/97/12/1006149712.db2.gz FGYUUOFIZKAALT-UHFFFAOYSA-N 0 2 424.548 3.600 20 0 HHADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1cccnc1-c1ccccc1 ZINC000534169615 1006152707 /nfs/dbraw/zinc/15/27/07/1006152707.db2.gz VONNVSWOHHSMKS-UHFFFAOYSA-N 0 2 423.494 3.907 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)cn2)c(Cl)c1 ZINC000514830147 1006159682 /nfs/dbraw/zinc/15/96/82/1006159682.db2.gz UQTGZNVEDKAQQA-UHFFFAOYSA-N 0 2 417.874 3.797 20 0 HHADLN Cc1nc2cc(NS(=O)(=O)c3cnn(-c4ccc(Cl)cc4)c3C)ccc2n1C ZINC000531437009 1006196554 /nfs/dbraw/zinc/19/65/54/1006196554.db2.gz QKIGLWLNXZTFPG-UHFFFAOYSA-N 0 2 415.906 3.830 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(OC)cc3)s2)c(C)c1 ZINC000534205224 1006197439 /nfs/dbraw/zinc/19/74/39/1006197439.db2.gz UCKYHNSLWLXUFU-UHFFFAOYSA-N 0 2 405.501 3.722 20 0 HHADLN Cc1cc(C)cc(-c2cc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)[nH]n2)c1 ZINC000531497812 1006232908 /nfs/dbraw/zinc/23/29/08/1006232908.db2.gz RCGBUTKBKZYXQA-UHFFFAOYSA-N 0 2 410.499 3.621 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2cccc3c(OC)ccnc23)c1 ZINC000534317227 1006295592 /nfs/dbraw/zinc/29/55/92/1006295592.db2.gz OLEGBVQAZPCTNM-UHFFFAOYSA-N 0 2 423.288 3.815 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1nnc(Cc2ccc(C)cc2)s1 ZINC000531603887 1006301190 /nfs/dbraw/zinc/30/11/90/1006301190.db2.gz PYPWREYHPQRPRO-UHFFFAOYSA-N 0 2 405.549 3.632 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC[C@H](CC(=O)OC(C)(C)C)C2)=N1 ZINC000531622210 1006311367 /nfs/dbraw/zinc/31/13/67/1006311367.db2.gz FMXGPKFOOILFDR-MRXNPFEDSA-N 0 2 413.518 3.724 20 0 HHADLN COC(=O)CCSc1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000534402491 1006378485 /nfs/dbraw/zinc/37/84/85/1006378485.db2.gz WQQZZGWZEOHCBK-UHFFFAOYSA-N 0 2 403.884 3.935 20 0 HHADLN O=C(N1CCC(c2n[nH]c(=O)[nH]2)CC1)C1(c2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000515360137 1006418751 /nfs/dbraw/zinc/41/87/51/1006418751.db2.gz YHWPORZTIXFGJQ-UHFFFAOYSA-N 0 2 414.815 3.620 20 0 HHADLN O=S(=O)(Nc1ccc(-c2ncon2)cc1)c1cc(F)c(Br)cc1F ZINC000534500078 1006498837 /nfs/dbraw/zinc/49/88/37/1006498837.db2.gz SMSKKQJCNPWJGB-UHFFFAOYSA-N 0 2 416.203 3.578 20 0 HHADLN O=C1c2ccccc2C(=O)N1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 ZINC000534500521 1006499831 /nfs/dbraw/zinc/49/98/31/1006499831.db2.gz PHWPGBMOQYFZBZ-UHFFFAOYSA-N 0 2 405.410 3.587 20 0 HHADLN O=S(=O)(Nc1cnn(-c2cnc3ccccc3n2)c1)c1cccc2ccccc21 ZINC000534613776 1006594184 /nfs/dbraw/zinc/59/41/84/1006594184.db2.gz PZQPEXQATBEEAG-UHFFFAOYSA-N 0 2 401.451 3.770 20 0 HHADLN CCC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000532111044 1006645070 /nfs/dbraw/zinc/64/50/70/1006645070.db2.gz BUHFUGHFRMMBDS-UHFFFAOYSA-N 0 2 415.496 3.789 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000534672851 1006649950 /nfs/dbraw/zinc/64/99/50/1006649950.db2.gz UKFWMLGOAGBTPA-UHFFFAOYSA-N 0 2 415.402 3.549 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cc(-c3ncco3)ccc2C)cn1 ZINC000534689736 1006671771 /nfs/dbraw/zinc/67/17/71/1006671771.db2.gz CJOGFBZEFUNUMB-UHFFFAOYSA-N 0 2 410.455 3.645 20 0 HHADLN Cc1cnc2c(cccc2S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)n[nH]2)c1 ZINC000534742324 1006733003 /nfs/dbraw/zinc/73/30/03/1006733003.db2.gz BLLSFFXMXQBCCU-SFHVURJKSA-N 0 2 419.510 3.854 20 0 HHADLN Cc1ccc2c(=O)c(C(=O)N3CCCN(Cc4ccc(Cl)cc4)CC3)c[n-]c2[nH+]1 ZINC000516389004 1007056142 /nfs/dbraw/zinc/05/61/42/1007056142.db2.gz JAYXPEQBYUGJLK-UHFFFAOYSA-N 0 2 410.905 3.645 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1ccc2nccnc2c1 ZINC000538822631 1007096392 /nfs/dbraw/zinc/09/63/92/1007096392.db2.gz WQQMPSXTLJCJHG-UHFFFAOYSA-N 0 2 413.210 3.569 20 0 HHADLN CC(C)Oc1cccc(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)n1 ZINC000535090978 1007105365 /nfs/dbraw/zinc/10/53/65/1007105365.db2.gz YKFJIRQNPXEOEV-UHFFFAOYSA-N 0 2 402.252 3.669 20 0 HHADLN CCOCCCn1c(-c2ccccc2)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000516586582 1007169620 /nfs/dbraw/zinc/16/96/20/1007169620.db2.gz JQEMRJOELZYOQR-UHFFFAOYSA-N 0 2 424.530 3.718 20 0 HHADLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1ccc(-c2nccc(C)n2)cc1 ZINC000516668893 1007217833 /nfs/dbraw/zinc/21/78/33/1007217833.db2.gz IHQGDPCZLPQQDA-UHFFFAOYSA-N 0 2 417.874 3.693 20 0 HHADLN COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(F)c(Br)cc2F)c1 ZINC000535234091 1007288638 /nfs/dbraw/zinc/28/86/38/1007288638.db2.gz QHHQEBZQKOYBEJ-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN O=S(=O)(c1ccc(Cl)cc1F)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000535455082 1007517187 /nfs/dbraw/zinc/51/71/87/1007517187.db2.gz SSDUWXCSPZGMGW-HNNXBMFYSA-N 0 2 406.870 3.790 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2cc(-c3ccccc3)nn2C(C)(C)C)c(C)o1 ZINC000533177226 1007518782 /nfs/dbraw/zinc/51/87/82/1007518782.db2.gz AXHLWNQNMOUSIV-UHFFFAOYSA-N 0 2 417.487 3.794 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2cc(C)n(-c3ccc(C)cc3)n2)cc1 ZINC000539397685 1007704573 /nfs/dbraw/zinc/70/45/73/1007704573.db2.gz JONSKQPZIVKYEU-UHFFFAOYSA-N 0 2 415.515 3.705 20 0 HHADLN COc1ccc(C(=O)N2CCCC2)cc1NS(=O)(=O)c1cccc(C)c1Cl ZINC000539398887 1007706414 /nfs/dbraw/zinc/70/64/14/1007706414.db2.gz FZMRXMSXJZTVAA-UHFFFAOYSA-N 0 2 408.907 3.694 20 0 HHADLN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(OCC(F)F)n2)cc1 ZINC000535710191 1007751044 /nfs/dbraw/zinc/75/10/44/1007751044.db2.gz AJZWUCLJYNWTHW-UHFFFAOYSA-N 0 2 413.446 3.511 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc(Cc3cccs3)no2)cc1 ZINC000533447949 1007763801 /nfs/dbraw/zinc/76/38/01/1007763801.db2.gz APLUPLJQCNGOGW-UHFFFAOYSA-N 0 2 404.498 3.646 20 0 HHADLN Cc1nc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)nn1-c1ccccc1C(C)C ZINC000517553260 1007765664 /nfs/dbraw/zinc/76/56/64/1007765664.db2.gz YBTIBOLSHNFLHL-UHFFFAOYSA-N 0 2 410.528 3.953 20 0 HHADLN CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000517651607 1007863717 /nfs/dbraw/zinc/86/37/17/1007863717.db2.gz ZJCZYGCYHPJEAK-CYBMUJFWSA-N 0 2 424.979 3.557 20 0 HHADLN COC(=O)c1ccccc1S(=O)(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 ZINC000517687830 1007900894 /nfs/dbraw/zinc/90/08/94/1007900894.db2.gz AMKHJHBGWUSCPM-UHFFFAOYSA-N 0 2 407.451 3.817 20 0 HHADLN CC(C)c1c(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cnn1-c1ccc(F)cc1 ZINC000535928340 1007951548 /nfs/dbraw/zinc/95/15/48/1007951548.db2.gz HBJFBFIBIHCKBO-UHFFFAOYSA-N 0 2 408.462 3.723 20 0 HHADLN COc1ccccc1-c1nnc(NS(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)o1 ZINC000517791277 1007972498 /nfs/dbraw/zinc/97/24/98/1007972498.db2.gz DTQGSWJTNCZEBP-UHFFFAOYSA-N 0 2 413.377 3.873 20 0 HHADLN COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CCC[C@H](c4n[nH]c(C)n4)C3)ccc2c1 ZINC000539764114 1008078886 /nfs/dbraw/zinc/07/88/86/1008078886.db2.gz BOQQXPWBZOUWDX-IERDGZPVSA-N 0 2 421.545 3.501 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N(Cc2ccco2)Cc2cccnc2)=N1 ZINC000536060021 1008089938 /nfs/dbraw/zinc/08/99/38/1008089938.db2.gz RQJADXDLLMJFGW-UHFFFAOYSA-N 0 2 402.454 3.971 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3nc(-c4cccc(OC)c4)[nH]c3C)s[nH]2)c1 ZINC000533767029 1008092438 /nfs/dbraw/zinc/09/24/38/1008092438.db2.gz JQWJQHVLLSPZSZ-UHFFFAOYSA-N 0 2 421.482 3.595 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3[nH]c(-c4cccc(OC)c4)nc3C)s[nH]2)c1 ZINC000533767029 1008092449 /nfs/dbraw/zinc/09/24/49/1008092449.db2.gz JQWJQHVLLSPZSZ-UHFFFAOYSA-N 0 2 421.482 3.595 20 0 HHADLN CCCNc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(C(=O)OC)nc1 ZINC000539856384 1008143817 /nfs/dbraw/zinc/14/38/17/1008143817.db2.gz YFSSDSBCAHWSNQ-UHFFFAOYSA-N 0 2 417.409 3.510 20 0 HHADLN CC(=O)Nc1ccc(S[C@@H](C)C(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1 ZINC000518280975 1008237335 /nfs/dbraw/zinc/23/73/35/1008237335.db2.gz WPFWDZMXJXAXJM-JTQLQIEISA-N 0 2 404.542 3.766 20 0 HHADLN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)C1 ZINC000518357902 1008275381 /nfs/dbraw/zinc/27/53/81/1008275381.db2.gz LDGIOIJIRZMRKO-GFCCVEGCSA-N 0 2 408.549 3.664 20 0 HHADLN O=S(=O)(Nc1cc(F)c(Br)c(F)c1)c1cnn(-c2ccccc2)c1 ZINC000540292778 1008370125 /nfs/dbraw/zinc/37/01/25/1008370125.db2.gz ZTJRMPUIGCVZLL-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN COCc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)s2)cc1 ZINC000540331957 1008384127 /nfs/dbraw/zinc/38/41/27/1008384127.db2.gz UFLUHOLZABPHMY-UHFFFAOYSA-N 0 2 403.529 3.811 20 0 HHADLN O=C(c1cccc(NS(=O)(=O)c2cccnc2C(F)(F)F)c1)N1CCCCC1 ZINC000518744612 1008411510 /nfs/dbraw/zinc/41/15/10/1008411510.db2.gz AITPWAIOOOLQKJ-UHFFFAOYSA-N 0 2 413.421 3.527 20 0 HHADLN O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000540469524 1008444029 /nfs/dbraw/zinc/44/40/29/1008444029.db2.gz XLJSNCLJYZMCCM-QFBILLFUSA-N 0 2 401.825 3.630 20 0 HHADLN C[C@H]1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000519061671 1008514991 /nfs/dbraw/zinc/51/49/91/1008514991.db2.gz CSXGYCFZWMZQGK-KRWDZBQOSA-N 0 2 424.526 3.688 20 0 HHADLN O=C(CCC(=O)N1CCN(c2ccccc2)CC1)Nc1cc(Cl)cc(Cl)c1O ZINC000545445180 1008557866 /nfs/dbraw/zinc/55/78/66/1008557866.db2.gz QAPLLIBCEGPHFN-UHFFFAOYSA-N 0 2 422.312 3.767 20 0 HHADLN CC[C@H](CC(F)(F)F)NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000545516781 1008618906 /nfs/dbraw/zinc/61/89/06/1008618906.db2.gz LMLMSYZGYBRFOE-SNVBAGLBSA-N 0 2 422.454 3.796 20 0 HHADLN Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)c(Cl)c1C ZINC000543113870 1008687147 /nfs/dbraw/zinc/68/71/47/1008687147.db2.gz GIFFMYVRFYZYQV-UHFFFAOYSA-N 0 2 422.919 3.861 20 0 HHADLN COc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1OC1CCCC1 ZINC000543122481 1008697153 /nfs/dbraw/zinc/69/71/53/1008697153.db2.gz KCYORUGUJZNLOV-UHFFFAOYSA-N 0 2 413.499 3.999 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000543148614 1008722402 /nfs/dbraw/zinc/72/24/02/1008722402.db2.gz XJCJJCBAIXTYNV-UHFFFAOYSA-N 0 2 423.539 3.538 20 0 HHADLN Cc1ccnn1-c1ccccc1NS(=O)(=O)c1cc(F)ccc1Br ZINC000543162167 1008735257 /nfs/dbraw/zinc/73/52/57/1008735257.db2.gz WWCYRZQFNAZZEW-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN Cc1c(NC(=O)c2cccc(Br)c2O)cccc1C(=O)N1CCCC1 ZINC000519334018 1008740202 /nfs/dbraw/zinc/74/02/02/1008740202.db2.gz UFVCPLOBJXQOAP-UHFFFAOYSA-N 0 2 403.276 3.951 20 0 HHADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1cc(F)c(SC)c(F)c1 ZINC000543164622 1008740436 /nfs/dbraw/zinc/74/04/36/1008740436.db2.gz RNBPREUGJPSDAT-UHFFFAOYSA-N 0 2 407.847 3.928 20 0 HHADLN Cc1nc2cc(NS(=O)(=O)c3cc(F)c(Br)cc3F)ccc2o1 ZINC000546083837 1009108418 /nfs/dbraw/zinc/10/84/18/1009108418.db2.gz JFAVNSNVZMGABV-UHFFFAOYSA-N 0 2 403.204 3.978 20 0 HHADLN C[C@@H](NS(=O)(=O)[C@H](C)C(F)(F)F)c1cccc(NC(=O)c2ccccc2)c1 ZINC000546092970 1009117685 /nfs/dbraw/zinc/11/76/85/1009117685.db2.gz VQXOVXJWIAHKBS-CHWSQXEVSA-N 0 2 400.422 3.870 20 0 HHADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1ccc(OC(F)F)nc1 ZINC000549548863 1009166823 /nfs/dbraw/zinc/16/68/23/1009166823.db2.gz JKGQRAIFUJGOOV-UHFFFAOYSA-N 0 2 423.235 3.563 20 0 HHADLN CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000543580417 1009186047 /nfs/dbraw/zinc/18/60/47/1009186047.db2.gz OWXBZQHMTOGWNO-UGSOOPFHSA-N 0 2 421.463 3.886 20 0 HHADLN CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(F)c(F)c([O-])c1F ZINC000543580417 1009186053 /nfs/dbraw/zinc/18/60/53/1009186053.db2.gz OWXBZQHMTOGWNO-UGSOOPFHSA-N 0 2 421.463 3.886 20 0 HHADLN CC[C@@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1c(C)nn(C)c1C ZINC000543655192 1009260546 /nfs/dbraw/zinc/26/05/46/1009260546.db2.gz DMRLVVWWLGLYFX-CQSZACIVSA-N 0 2 404.927 3.904 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NC[C@@H]1CCOc2ccccc21 ZINC000543657495 1009265279 /nfs/dbraw/zinc/26/52/79/1009265279.db2.gz SOCYWEBFBYWUQS-LBPRGKRZSA-N 0 2 400.891 3.968 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000543658109 1009265532 /nfs/dbraw/zinc/26/55/32/1009265532.db2.gz SWYNAWWUZGXPCX-CVEARBPZSA-N 0 2 400.891 3.932 20 0 HHADLN CCC(C)(C)OCc1ccccc1NS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000543664821 1009275686 /nfs/dbraw/zinc/27/56/86/1009275686.db2.gz UODOTBPRHWUVRG-UHFFFAOYSA-N 0 2 407.536 3.741 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1cn(C)nc1-c1ccccc1Cl ZINC000549730747 1009353783 /nfs/dbraw/zinc/35/37/83/1009353783.db2.gz MNMDPMHPEWZVSV-UHFFFAOYSA-N 0 2 408.849 3.792 20 0 HHADLN C[C@H]1CC[C@]2(CCN(C(=O)c3ccc(S(=O)(=O)Nc4nccs4)cc3)C2)C1 ZINC000543832339 1009393127 /nfs/dbraw/zinc/39/31/27/1009393127.db2.gz JBYHLLCAKUMGAF-LIRRHRJNSA-N 0 2 405.545 3.596 20 0 HHADLN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000549823967 1009434923 /nfs/dbraw/zinc/43/49/23/1009434923.db2.gz HTDZASFXKAGGTL-ZJUUUORDSA-N 0 2 401.319 3.704 20 0 HHADLN Cn1cnc(-c2ccc(NC(=O)c3[nH]nc(-c4ccccc4)c3Br)cc2)n1 ZINC000546554365 1009576838 /nfs/dbraw/zinc/57/68/38/1009576838.db2.gz XKLSWJFLYUWCMP-UHFFFAOYSA-N 0 2 423.274 3.887 20 0 HHADLN Cc1noc(C)c1CO[C@H]1CCN(C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)C1 ZINC000546566842 1009588889 /nfs/dbraw/zinc/58/88/89/1009588889.db2.gz SWESVTQHWHJGEH-IBGZPJMESA-N 0 2 424.501 3.737 20 0 HHADLN CC(=O)Nc1ccc(Br)cc1NS(=O)(=O)c1ccc(C)cc1F ZINC000520627491 1009704754 /nfs/dbraw/zinc/70/47/54/1009704754.db2.gz NVRDEIFVSOUBGW-UHFFFAOYSA-N 0 2 401.257 3.656 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000550117357 1009710837 /nfs/dbraw/zinc/71/08/37/1009710837.db2.gz DQVXBYOEKVFDEL-UHFFFAOYSA-N 0 2 424.848 3.760 20 0 HHADLN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000550123693 1009714358 /nfs/dbraw/zinc/71/43/58/1009714358.db2.gz VRWNPFGYPFJHLC-JTQLQIEISA-N 0 2 422.411 3.604 20 0 HHADLN NC(=O)NCc1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000520768151 1009838854 /nfs/dbraw/zinc/83/88/54/1009838854.db2.gz ZNBAZDNTWBPXML-UHFFFAOYSA-N 0 2 408.694 3.616 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3sc([C@H]4CCCOC4)nc3C)s[nH]2)c1 ZINC000550573701 1010037463 /nfs/dbraw/zinc/03/74/63/1010037463.db2.gz FVYBSUXLTFYOTH-ZDUSSCGKSA-N 0 2 416.528 3.547 20 0 HHADLN CN(C(=O)C1=NN(c2ccc(F)cc2)CC1=O)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000544573709 1010202276 /nfs/dbraw/zinc/20/22/76/1010202276.db2.gz UENGERNYQPDFTL-AZUAARDMSA-N 0 2 413.424 3.848 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ccc4c(c3)nc(C(C)(C)C)n4C)cc12 ZINC000547269586 1010216101 /nfs/dbraw/zinc/21/61/01/1010216101.db2.gz WOMIBBFJCQFVNL-UHFFFAOYSA-N 0 2 413.503 3.770 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1cnccc1-c1cccc(F)c1 ZINC000547269949 1010216449 /nfs/dbraw/zinc/21/64/49/1010216449.db2.gz GYXRBWIVFYPGLB-UHFFFAOYSA-N 0 2 402.447 3.714 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](c3ccccc3)c3ccncc3)s[nH]2)c1 ZINC000544590244 1010216431 /nfs/dbraw/zinc/21/64/31/1010216431.db2.gz HPFCLDUSAIYUCK-LJQANCHMSA-N 0 2 417.494 3.942 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](C)c3c(F)cccc3OC)s[nH]2)c1 ZINC000544591162 1010217071 /nfs/dbraw/zinc/21/70/71/1010217071.db2.gz RSRQTINMSNDCLV-LLVKDONJSA-N 0 2 402.451 3.666 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC(c4ccc(C)nc4)CC3)s[nH]2)c1 ZINC000544592662 1010218721 /nfs/dbraw/zinc/21/87/21/1010218721.db2.gz JAQGUYCNUTVUJY-UHFFFAOYSA-N 0 2 409.515 3.751 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCCc4cc(OC)ccc4C3)s[nH]2)c1 ZINC000544596223 1010222457 /nfs/dbraw/zinc/22/24/57/1010222457.db2.gz QPXBEXYGORGLQB-UHFFFAOYSA-N 0 2 410.499 3.625 20 0 HHADLN O=S(=O)(Nc1cnc2ccccc2c1)c1cc(Br)cc2c1OCC2 ZINC000544625357 1010248677 /nfs/dbraw/zinc/24/86/77/1010248677.db2.gz FQDZWCFKWZKNRT-UHFFFAOYSA-N 0 2 405.273 3.733 20 0 HHADLN C[C@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc([S@](C)=O)cc1 ZINC000544635682 1010258987 /nfs/dbraw/zinc/25/89/87/1010258987.db2.gz AMKOPYMRUABIFL-RNUGCUGFSA-N 0 2 420.947 3.901 20 0 HHADLN C[C@@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)[C@H]1COc2ccccc21 ZINC000544636884 1010261388 /nfs/dbraw/zinc/26/13/88/1010261388.db2.gz ZDYNUZVHZFQVNG-IAQYHMDHSA-N 0 2 400.891 3.967 20 0 HHADLN Cc1cccc(C)c1NC(=O)CNC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000544636771 1010261568 /nfs/dbraw/zinc/26/15/68/1010261568.db2.gz AWAUUBBYSTUNBB-UHFFFAOYSA-N 0 2 415.906 3.657 20 0 HHADLN Cc1nc(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)nc2ccccc12 ZINC000544636913 1010261626 /nfs/dbraw/zinc/26/16/26/1010261626.db2.gz DNQJNWNQCGNPSX-UHFFFAOYSA-N 0 2 410.890 3.854 20 0 HHADLN Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000544638567 1010262908 /nfs/dbraw/zinc/26/29/08/1010262908.db2.gz DHNKFOWDBXQWJZ-OAHLLOKOSA-N 0 2 416.938 4.000 20 0 HHADLN C[C@H]1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)C[C@H]1n1ccnc1 ZINC000544638532 1010263014 /nfs/dbraw/zinc/26/30/14/1010263014.db2.gz BPFZYVQQZXBFBM-SWLSCSKDSA-N 0 2 402.911 3.592 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1O)c1cc(Br)cc2c1OCC2 ZINC000544641718 1010266344 /nfs/dbraw/zinc/26/63/44/1010266344.db2.gz OHLDEALPJRLNHT-UHFFFAOYSA-N 0 2 404.669 3.544 20 0 HHADLN Cc1nn(C)c(Oc2cccnc2)c1NS(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000551017166 1010318390 /nfs/dbraw/zinc/31/83/90/1010318390.db2.gz BDZLPYJALACYML-UHFFFAOYSA-N 0 2 411.487 3.517 20 0 HHADLN COc1cc(S(=O)(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)ccc1F ZINC000551050936 1010336988 /nfs/dbraw/zinc/33/69/88/1010336988.db2.gz YWJLIRXKJXBSHV-UHFFFAOYSA-N 0 2 418.475 3.739 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cc(F)c(Br)cc2F)nc2c1CCCC2 ZINC000544741759 1010347176 /nfs/dbraw/zinc/34/71/76/1010347176.db2.gz FACWQAWBVZQKKJ-UHFFFAOYSA-N 0 2 418.263 3.505 20 0 HHADLN NC(=O)CCSc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000521454867 1010383635 /nfs/dbraw/zinc/38/36/35/1010383635.db2.gz UATOVJNKIOQLTO-UHFFFAOYSA-N 0 2 405.328 3.762 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NCc2nc3ccccc3n2C2CC2)=N1 ZINC000544793804 1010388872 /nfs/dbraw/zinc/38/88/72/1010388872.db2.gz BRTQOPPUUUGDNG-UHFFFAOYSA-N 0 2 405.433 3.640 20 0 HHADLN Cc1cccc(N2C(=O)N[C@H](CCC(=O)Nc3cc(Cl)cc(Cl)c3O)C2=O)c1 ZINC000544813827 1010407339 /nfs/dbraw/zinc/40/73/39/1010407339.db2.gz PCHVMEHMWNQAJD-CQSZACIVSA-N 0 2 422.268 3.851 20 0 HHADLN COc1cccc(CO[C@H](C)C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c1 ZINC000521548762 1010456028 /nfs/dbraw/zinc/45/60/28/1010456028.db2.gz DWFMTWKQKZHCQF-GFCCVEGCSA-N 0 2 403.891 3.833 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Oc2cccnc2)nc1 ZINC000551345891 1010529616 /nfs/dbraw/zinc/52/96/16/1010529616.db2.gz ODCKCMHJZIDWSK-UHFFFAOYSA-N 0 2 419.846 3.510 20 0 HHADLN O=S(=O)(Nc1cnc(CC2CC2)nc1)c1ccc(Br)c(Cl)c1 ZINC000551405022 1010564821 /nfs/dbraw/zinc/56/48/21/1010564821.db2.gz OKVJKVROEPZLBT-UHFFFAOYSA-N 0 2 402.701 3.646 20 0 HHADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2cccc3c(C)ccnc32)n1 ZINC000548279686 1010577836 /nfs/dbraw/zinc/57/78/36/1010577836.db2.gz KRQUJKWUJQMPFK-UHFFFAOYSA-N 0 2 402.526 3.654 20 0 HHADLN CC[C@@]1(C)Oc2ccc(NS(=O)(=O)c3c(Cl)cccc3C(=O)OC)cc2O1 ZINC000551468091 1010604474 /nfs/dbraw/zinc/60/44/74/1010604474.db2.gz URXKTHOEXDHJSC-SFHVURJKSA-N 0 2 411.863 3.825 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc3[nH]ccc3cc2C)c1OC ZINC000551468196 1010604489 /nfs/dbraw/zinc/60/44/89/1010604489.db2.gz XQMGNTQPVIAFSD-UHFFFAOYSA-N 0 2 408.863 3.726 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cccc(Cl)c2-n2cncn2)c2ccccc2n1C ZINC000551470874 1010606913 /nfs/dbraw/zinc/60/69/13/1010606913.db2.gz WAGSWSGZMHJICI-UHFFFAOYSA-N 0 2 401.879 3.522 20 0 HHADLN CCCc1ccc(Cl)c(S(=O)(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000551518245 1010634419 /nfs/dbraw/zinc/63/44/19/1010634419.db2.gz CZHIQYWRUXJXJZ-UHFFFAOYSA-N 0 2 411.936 3.824 20 0 HHADLN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2csc(-c3ccncc3)n2)cc1 ZINC000545184844 1010675833 /nfs/dbraw/zinc/67/58/33/1010675833.db2.gz VJCNAUORBZAXEY-UHFFFAOYSA-N 0 2 416.528 3.991 20 0 HHADLN C[C@@H]1CCCN(Cc2csc(NS(=O)(=O)c3cccnc3C(F)(F)F)n2)C1 ZINC000521938208 1010725558 /nfs/dbraw/zinc/72/55/58/1010725558.db2.gz SSNZUGRULAXBBO-LLVKDONJSA-N 0 2 420.482 3.590 20 0 HHADLN O=C(COC[C@@H]1CCCO1)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000522231383 1010878515 /nfs/dbraw/zinc/87/85/15/1010878515.db2.gz UHYVJLOIHQBXRH-SFHVURJKSA-N 0 2 411.483 3.553 20 0 HHADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)N2CCC(C)CC2)cc1 ZINC000522365855 1010960475 /nfs/dbraw/zinc/96/04/75/1010960475.db2.gz IUPLEXUXUBDGOH-UHFFFAOYSA-N 0 2 418.563 3.754 20 0 HHADLN O=C1NCCc2ccc(S(=O)(=O)Nc3nc4c(ccc5ccccc45)s3)cc21 ZINC000522590712 1011096131 /nfs/dbraw/zinc/09/61/31/1011096131.db2.gz JIJPCQXFGMHTGN-UHFFFAOYSA-N 0 2 409.492 3.536 20 0 HHADLN COC(=O)C1(c2ccc(S(=O)(=O)Nc3cnn(CC(C)C)c3C(C)C)cc2)CC1 ZINC000540649120 1011300272 /nfs/dbraw/zinc/30/02/72/1011300272.db2.gz KYITVHBNSLSHHK-UHFFFAOYSA-N 0 2 419.547 3.668 20 0 HHADLN CC1CCN(Cc2csc(NS(=O)(=O)c3cccc4cccnc43)n2)CC1 ZINC000522902359 1011347255 /nfs/dbraw/zinc/34/72/55/1011347255.db2.gz PIADSCKZKOEKKR-UHFFFAOYSA-N 0 2 402.545 3.724 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2nc3ccccc3[nH]2)cc1 ZINC000522909472 1011355131 /nfs/dbraw/zinc/35/51/31/1011355131.db2.gz UJLNBWLKKGNFJR-UHFFFAOYSA-N 0 2 412.496 3.986 20 0 HHADLN CC(C)(C)C1=CCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 ZINC000536259184 1011422930 /nfs/dbraw/zinc/42/29/30/1011422930.db2.gz YMYWHEPCOFYYOA-UHFFFAOYSA-N 0 2 405.545 3.762 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(F)F)cc1 ZINC000536301415 1011489425 /nfs/dbraw/zinc/48/94/25/1011489425.db2.gz AVKBGJCFSHFADZ-UHFFFAOYSA-N 0 2 400.451 3.626 20 0 HHADLN CC(C)c1cc(Br)ccc1NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000536302460 1011492222 /nfs/dbraw/zinc/49/22/22/1011492222.db2.gz OXXYXQMSGXHMQQ-ZDUSSCGKSA-N 0 2 414.325 3.531 20 0 HHADLN CCOC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000540894369 1011568985 /nfs/dbraw/zinc/56/89/85/1011568985.db2.gz CNAYVQAIVYRHBF-UHFFFAOYSA-N 0 2 422.528 3.572 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1ccc(SC)nc1 ZINC000540929496 1011590973 /nfs/dbraw/zinc/59/09/73/1011590973.db2.gz PASZXKAAPOUSFY-UHFFFAOYSA-N 0 2 407.286 3.515 20 0 HHADLN COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)Nc1ccccc1OC(C)C ZINC000536390760 1011599157 /nfs/dbraw/zinc/59/91/57/1011599157.db2.gz LLBSZTBWUNSBGU-UHFFFAOYSA-N 0 2 404.488 3.632 20 0 HHADLN CCOc1cc2c(cc1NS(=O)(=O)c1ccccc1-c1ccno1)O[C@H](C)C2 ZINC000541078704 1011720031 /nfs/dbraw/zinc/72/00/31/1011720031.db2.gz WAJGMQXUPGTGPQ-CYBMUJFWSA-N 0 2 400.456 3.865 20 0 HHADLN Cc1n[nH]c2cc(NS(=O)(=O)c3cnn(-c4ccc(Cl)cc4)c3C)ccc12 ZINC000536699985 1011869303 /nfs/dbraw/zinc/86/93/03/1011869303.db2.gz NMZSUWZQSHLVRU-UHFFFAOYSA-N 0 2 401.879 3.820 20 0 HHADLN O=S(=O)(Nc1ccc(-c2cccc(F)c2)c(F)c1)c1cnn([C@@H]2CCOC2)c1 ZINC000541284883 1011979937 /nfs/dbraw/zinc/97/99/37/1011979937.db2.gz FYPOYLNCNDGLTG-MRXNPFEDSA-N 0 2 405.426 3.591 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cc(-c2ccccc2C)nn1C ZINC000541289531 1011987118 /nfs/dbraw/zinc/98/71/18/1011987118.db2.gz BYKDODBZMZHOQA-UHFFFAOYSA-N 0 2 401.536 3.666 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)nn1[C@@H](C)C1CC1 ZINC000541307824 1012014645 /nfs/dbraw/zinc/01/46/45/1012014645.db2.gz UDAAUJLLYWFXTQ-LBPRGKRZSA-N 0 2 403.426 3.904 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccccn2)s1)c1ccc(OC(F)(F)F)cc1 ZINC000551952009 1012031544 /nfs/dbraw/zinc/03/15/44/1012031544.db2.gz APBOGAGMOMKVGG-UHFFFAOYSA-N 0 2 401.391 3.905 20 0 HHADLN CS[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1 ZINC000523509600 1012033933 /nfs/dbraw/zinc/03/39/33/1012033933.db2.gz KSLRYFMWHQYKPI-INIZCTEOSA-N 0 2 419.553 3.987 20 0 HHADLN Cc1ccc(-n2nc(C(=O)Nc3cc(-c4n[nH]c(=O)[nH]4)ccc3C)c3c2CCC3)cc1 ZINC000552029316 1012055351 /nfs/dbraw/zinc/05/53/51/1012055351.db2.gz HIENWDHLZUKNQT-UHFFFAOYSA-N 0 2 414.469 3.721 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000523534590 1012065426 /nfs/dbraw/zinc/06/54/26/1012065426.db2.gz CNCRALYPLYUKFU-UHFFFAOYSA-N 0 2 407.463 3.872 20 0 HHADLN CC(C)c1ccc(C[NH+]2CCN(C(=O)c3nn(-c4ccccc4F)cc3[O-])CC2)cc1 ZINC000552124359 1012141898 /nfs/dbraw/zinc/14/18/98/1012141898.db2.gz OIHSRUAYACPRGI-UHFFFAOYSA-N 0 2 422.504 3.798 20 0 HHADLN COC(=O)c1nccc2c1cccc2S(=O)(=O)Nc1[nH]nc(-c2ccccc2)c1C ZINC000536898031 1012153434 /nfs/dbraw/zinc/15/34/34/1012153434.db2.gz RYMQOCDRKTXRHH-UHFFFAOYSA-N 0 2 422.466 3.521 20 0 HHADLN C[C@H](Oc1ccc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cn1)c1ccccc1 ZINC000552259276 1012268946 /nfs/dbraw/zinc/26/89/46/1012268946.db2.gz XEDZNKQQWNGZRI-AWEZNQCLSA-N 0 2 401.426 3.965 20 0 HHADLN O=C(CCCCCNC(=O)NC1CCCCC1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000523714899 1012323819 /nfs/dbraw/zinc/32/38/19/1012323819.db2.gz XKUSBEIXOGRPIL-UHFFFAOYSA-N 0 2 421.592 3.819 20 0 HHADLN CCOC(=O)c1cnc(/C=C/c2c[nH+]c3ccc(Br)cn23)c(C(=O)[O-])c1 ZINC000537031239 1012344389 /nfs/dbraw/zinc/34/43/89/1012344389.db2.gz FMKQOUXRCSSTPU-SNAWJCMRSA-N 0 2 416.231 3.537 20 0 HHADLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1 ZINC000523730963 1012348026 /nfs/dbraw/zinc/34/80/26/1012348026.db2.gz QQKVGZXEPGREAT-UHFFFAOYSA-N 0 2 404.879 3.733 20 0 HHADLN O=S(=O)(Nc1ccc(-c2noc(C(F)F)n2)cc1)c1cc(F)c(F)cc1F ZINC000552455257 1012479188 /nfs/dbraw/zinc/47/91/88/1012479188.db2.gz QZSYADMMCQKJPI-UHFFFAOYSA-N 0 2 405.304 3.892 20 0 HHADLN Cc1nc(COc2ccccc2C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cs1 ZINC000552596751 1012598805 /nfs/dbraw/zinc/59/88/05/1012598805.db2.gz PSXHPSRWFHGKDV-UHFFFAOYSA-N 0 2 407.455 3.774 20 0 HHADLN Cc1noc(C)c1COc1ccc(CC(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)cc1 ZINC000552604929 1012605912 /nfs/dbraw/zinc/60/59/12/1012605912.db2.gz DWOZHYUZTIJARY-UHFFFAOYSA-N 0 2 419.441 3.542 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)s[nH]1 ZINC000523927733 1012654993 /nfs/dbraw/zinc/65/49/93/1012654993.db2.gz MTQURRLGAPDXNI-UHFFFAOYSA-N 0 2 408.955 3.781 20 0 HHADLN O=S(=O)(Nc1nc2c(ccc3ccccc23)s1)c1ccccc1Cn1cncn1 ZINC000541785651 1012655705 /nfs/dbraw/zinc/65/57/05/1012655705.db2.gz XODKWAACBHYHME-UHFFFAOYSA-N 0 2 421.507 3.890 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCOC[C@@H]1c1ccccc1 ZINC000541796660 1012672268 /nfs/dbraw/zinc/67/22/68/1012672268.db2.gz ZNPUOZBFZKJPKY-MRXNPFEDSA-N 0 2 400.891 3.886 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N[C@@H]1CCCC[C@H]1n1cccn1 ZINC000541797701 1012673909 /nfs/dbraw/zinc/67/39/09/1012673909.db2.gz YNMPLVKIJRVIRN-HUUCEWRRSA-N 0 2 402.911 3.782 20 0 HHADLN COc1cc(NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc(OC)c1OC ZINC000541799343 1012676335 /nfs/dbraw/zinc/67/63/35/1012676335.db2.gz VSGQHEZNWFWEOZ-UHFFFAOYSA-N 0 2 420.878 3.950 20 0 HHADLN COC[C@@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccc(F)cc1 ZINC000541799995 1012677687 /nfs/dbraw/zinc/67/76/87/1012677687.db2.gz UIAZHRNNSXCTAX-OAHLLOKOSA-N 0 2 406.870 3.929 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H](C)c2ccccc2)c(F)c1Cl ZINC000541829897 1012718039 /nfs/dbraw/zinc/71/80/39/1012718039.db2.gz NOSWCGPQXANTAO-SNVBAGLBSA-N 0 2 402.850 3.659 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cnn(Cc3ccncc3)c2)c(C)cc1Br ZINC000523978594 1012726162 /nfs/dbraw/zinc/72/61/62/1012726162.db2.gz KPRADBNVSGSPCW-UHFFFAOYSA-N 0 2 421.320 3.507 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1Cl ZINC000524050163 1012802900 /nfs/dbraw/zinc/80/29/00/1012802900.db2.gz JZLLQVDMMCKAJJ-UHFFFAOYSA-N 0 2 415.968 3.838 20 0 HHADLN Cc1ccc(F)cc1S(=O)(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 ZINC000524050454 1012803400 /nfs/dbraw/zinc/80/34/00/1012803400.db2.gz STAMHCTUJOLACZ-UHFFFAOYSA-N 0 2 417.531 3.950 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C(=O)N[C@@H]2C[C@H]3CCC(C)(C)c4cccc2c43)s[nH]1 ZINC000537380636 1012857323 /nfs/dbraw/zinc/85/73/23/1012857323.db2.gz YRWNGYQEAFGCNB-IUODEOHRSA-N 0 2 412.559 3.612 20 0 HHADLN O=C(Cc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000524088606 1012858980 /nfs/dbraw/zinc/85/89/80/1012858980.db2.gz MHELTLUFANZKQS-UHFFFAOYSA-N 0 2 407.904 3.779 20 0 HHADLN CCCc1nc(C(=O)N=c2nc(C(C)(C)C)[nH]s2)nn1-c1ccccc1Cl ZINC000524099899 1012875303 /nfs/dbraw/zinc/87/53/03/1012875303.db2.gz XQIDHKJTBADNTH-UHFFFAOYSA-N 0 2 404.927 3.696 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2Oc2ccccc2)c(F)c1 ZINC000614843445 1071760274 /nfs/dbraw/zinc/76/02/74/1071760274.db2.gz REWGFUNYDOQETI-UHFFFAOYSA-N 0 2 401.419 3.772 20 0 HHADLN CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cccnc3Oc3ccccc3)ccc21 ZINC000614843330 1071760336 /nfs/dbraw/zinc/76/03/36/1071760336.db2.gz BSBKYZDTUAJRCN-UHFFFAOYSA-N 0 2 423.494 3.974 20 0 HHADLN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)cc1OC ZINC000614865953 1071853599 /nfs/dbraw/zinc/85/35/99/1071853599.db2.gz ICKDHYNFRINMRH-UHFFFAOYSA-N 0 2 400.294 3.966 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cccc(C(F)(F)F)c2C)c(OC)c1 ZINC000488253832 1072172601 /nfs/dbraw/zinc/17/26/01/1072172601.db2.gz MAJTXXRODAPXCM-UHFFFAOYSA-N 0 2 405.394 3.840 20 0 HHADLN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2nc(C)c(-c3ccccc3)s2)c1 ZINC000760310474 1072238816 /nfs/dbraw/zinc/23/88/16/1072238816.db2.gz BSMZAUDPHSCFMT-UHFFFAOYSA-N 0 2 422.553 3.713 20 0 HHADLN COc1ccc2nc(Cl)ccc2c1S(=O)(=O)Nc1nnc(-c2ccco2)s1 ZINC000760317147 1072242653 /nfs/dbraw/zinc/24/26/53/1072242653.db2.gz DXPVQBOTOSOKRU-UHFFFAOYSA-N 0 2 422.875 3.809 20 0 HHADLN O=C(C[C@H]1SC(n2nccc2C(F)(F)F)=NC1=O)Nc1cccc2ccccc21 ZINC000913098468 1072328572 /nfs/dbraw/zinc/32/85/72/1072328572.db2.gz FAPSUTJKEPAXTG-CQSZACIVSA-N 0 2 418.400 3.930 20 0 HHADLN CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nnc(C[C@@H](C)CC(C)(C)C)o2)c1 ZINC000564139015 1072424867 /nfs/dbraw/zinc/42/48/67/1072424867.db2.gz OQUOKKQOKXZIQP-CQSZACIVSA-N 0 2 422.551 3.577 20 0 HHADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc(OC(F)F)c(F)c3)o2)c(C)c1 ZINC000571389607 1072613092 /nfs/dbraw/zinc/61/30/92/1072613092.db2.gz FXOUAMXPVPCSME-UHFFFAOYSA-N 0 2 413.377 3.895 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccsc2)o1)c1ccc(C(F)(F)F)c(F)c1 ZINC000571746982 1072717752 /nfs/dbraw/zinc/71/77/52/1072717752.db2.gz TYZVWTRODBRXSY-UHFFFAOYSA-N 0 2 407.370 3.681 20 0 HHADLN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1nnc(C(F)(F)F)s1 ZINC000479113340 1072728903 /nfs/dbraw/zinc/72/89/03/1072728903.db2.gz DEEMBXRZBMFZAJ-UHFFFAOYSA-N 0 2 420.207 3.568 20 0 HHADLN CCCCc1nnc(NS(=O)(=O)c2cc(Br)c(F)cc2C)s1 ZINC000479115714 1072752292 /nfs/dbraw/zinc/75/22/92/1072752292.db2.gz MZYUIAHZFPGHQX-UHFFFAOYSA-N 0 2 408.318 3.892 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)c(F)c1 ZINC000479117111 1072753205 /nfs/dbraw/zinc/75/32/05/1072753205.db2.gz XUSLFLZGOCSSKQ-UHFFFAOYSA-N 0 2 413.883 3.731 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccc(N3CCSCC3)cc2C)c(F)c1 ZINC000588626736 1073066842 /nfs/dbraw/zinc/06/68/42/1073066842.db2.gz RFTMWRQJOOKGNR-UHFFFAOYSA-N 0 2 414.499 3.636 20 0 HHADLN Cc1noc2ncc(S(=O)(=O)Nc3ccc(C(=O)Nc4ccccc4)cc3)cc12 ZINC000588628327 1073068029 /nfs/dbraw/zinc/06/80/29/1073068029.db2.gz ZOFFNJFABSEXQM-UHFFFAOYSA-N 0 2 408.439 3.584 20 0 HHADLN CCn1c(-c2ccc3ccccc3n2)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000555061598 1073111859 /nfs/dbraw/zinc/11/18/59/1073111859.db2.gz SPJGFEHLCXIZPV-UHFFFAOYSA-N 0 2 417.498 3.860 20 0 HHADLN O=S(=O)(Nc1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(F)cc1F ZINC000588833851 1073295807 /nfs/dbraw/zinc/29/58/07/1073295807.db2.gz UFICEBXNZZCWRI-UHFFFAOYSA-N 0 2 405.304 3.834 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)cnn1CC(C)C ZINC000588849127 1073305558 /nfs/dbraw/zinc/30/55/58/1073305558.db2.gz MWWYMHOTVKKCBZ-UHFFFAOYSA-N 0 2 407.536 3.776 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccccc2F)s1)c1ccc2c(c1)OCCCO2 ZINC000555448834 1073497734 /nfs/dbraw/zinc/49/77/34/1073497734.db2.gz LNNSMSFAIJZNPT-UHFFFAOYSA-N 0 2 406.460 3.911 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(-c3ccccc3F)s2)cc1C ZINC000555458002 1073518192 /nfs/dbraw/zinc/51/81/92/1073518192.db2.gz YVIUVXOAEOINMW-UHFFFAOYSA-N 0 2 406.460 3.845 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)nc1 ZINC000555490958 1073548084 /nfs/dbraw/zinc/54/80/84/1073548084.db2.gz IDAUWYNSSBSLHR-UHFFFAOYSA-N 0 2 405.501 3.576 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)c2cccc(OCc3cn4ccccc4n3)c2)s[nH]1 ZINC000590120287 1073567443 /nfs/dbraw/zinc/56/74/43/1073567443.db2.gz ZVBOFZQBOISIHW-UHFFFAOYSA-N 0 2 407.499 3.737 20 0 HHADLN O=C(c1ccc(Br)cc1C(F)(F)F)N1CCC[C@@H](C2N=NC(=O)O2)C1 ZINC000555536681 1073601746 /nfs/dbraw/zinc/60/17/46/1073601746.db2.gz VKXLJYONDUZGSN-MRVPVSSYSA-N 0 2 420.185 3.576 20 0 HHADLN C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000590405285 1073789871 /nfs/dbraw/zinc/78/98/71/1073789871.db2.gz XMGJTTQQDKMMSM-VIFPVBQESA-N 0 2 423.217 3.918 20 0 HHADLN CCc1ccc(S(=O)(=O)Nc2nnc([C@@H]3COc4ccccc4O3)o2)cc1CC ZINC000556038982 1074058195 /nfs/dbraw/zinc/05/81/95/1074058195.db2.gz DTPIFZCTODXOMK-SFHVURJKSA-N 0 2 415.471 3.508 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc3ccccc32)o1)c1ccc2c(c1)CCO2 ZINC000556038997 1074059039 /nfs/dbraw/zinc/05/90/39/1074059039.db2.gz GBLURUBSKSLTLN-UHFFFAOYSA-N 0 2 407.451 3.549 20 0 HHADLN Cc1ccc2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)[nH]c2c1 ZINC000573409581 1074401163 /nfs/dbraw/zinc/40/11/63/1074401163.db2.gz WMBDSODRAYJUIP-UHFFFAOYSA-N 0 2 412.496 3.986 20 0 HHADLN COc1cc(NS(=O)(=O)c2ccc(C)cc2F)ccc1NC(=O)c1cccnc1 ZINC000591680378 1074484240 /nfs/dbraw/zinc/48/42/40/1074484240.db2.gz PZWZMMZJWHTAEA-UHFFFAOYSA-N 0 2 415.446 3.591 20 0 HHADLN CCOC(=O)C(C)(C)c1csc(NS(=O)(=O)c2ccc3c(c2)CCCC3)n1 ZINC000573477240 1074523166 /nfs/dbraw/zinc/52/31/66/1074523166.db2.gz CZHIBLMHUBNHPQ-UHFFFAOYSA-N 0 2 408.545 3.663 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccccc1F)c1cccc(Br)c1 ZINC000592360735 1074722865 /nfs/dbraw/zinc/72/28/65/1074722865.db2.gz AHYOTRFMSXXAML-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cccc(Br)c1O ZINC000592832565 1075117482 /nfs/dbraw/zinc/11/74/82/1075117482.db2.gz LGZOWWOSQRVKCS-OAHLLOKOSA-N 0 2 405.248 3.525 20 0 HHADLN COCc1cc(Cl)cc(S(=O)(=O)Nc2ncc(Br)cc2C)c1 ZINC000574247196 1075194904 /nfs/dbraw/zinc/19/49/04/1075194904.db2.gz JQDCCUXBFXOVGG-UHFFFAOYSA-N 0 2 405.701 3.753 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2cc(C(C)C)nn2-c2ccccc2)ccc1F ZINC000574373722 1075239929 /nfs/dbraw/zinc/23/99/29/1075239929.db2.gz WKQZGVPTJLPFQY-UHFFFAOYSA-N 0 2 416.478 3.894 20 0 HHADLN COC(=O)c1cncc(S(=O)(=O)Nc2ccccc2O[C@H](C)c2ccccc2)c1 ZINC000574626692 1075304998 /nfs/dbraw/zinc/30/49/98/1075304998.db2.gz CYDHAFDGWWALRU-OAHLLOKOSA-N 0 2 412.467 3.809 20 0 HHADLN COc1cc(S(=O)(=O)Nc2ccnn2CCC(C)C)ccc1Br ZINC000574956008 1075432968 /nfs/dbraw/zinc/43/29/68/1075432968.db2.gz GNVMDONWCAZZGC-UHFFFAOYSA-N 0 2 402.314 3.501 20 0 HHADLN COCc1cccc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)c(F)c2)c1 ZINC000596534794 1075567666 /nfs/dbraw/zinc/56/76/66/1075567666.db2.gz PBEYJYGMDMHUHG-UHFFFAOYSA-N 0 2 409.870 3.671 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cn1)C1CC1 ZINC000596533344 1075567680 /nfs/dbraw/zinc/56/76/80/1075567680.db2.gz LSMIHLNTCZANFJ-UHFFFAOYSA-N 0 2 419.812 3.903 20 0 HHADLN Cc1c[nH]nc1C(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F ZINC000669595573 1075599194 /nfs/dbraw/zinc/59/91/94/1075599194.db2.gz MAICFOICCFNOND-UHFFFAOYSA-N 0 2 408.842 3.564 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3c(C)c(C)nc4ncnn43)cc2)s1 ZINC000301595449 970995047 /nfs/dbraw/zinc/99/50/47/970995047.db2.gz ZANUTEKAHFVDQR-UHFFFAOYSA-N 0 2 415.500 3.704 20 0 HHADLN COc1ccc(-c2n[nH]c(NC(=O)c3nc(-c4ccco4)sc3C)n2)c(OC)c1 ZINC000303152778 971530880 /nfs/dbraw/zinc/53/08/80/971530880.db2.gz VZJYCXUULIPUBF-UHFFFAOYSA-N 0 2 411.443 3.766 20 0 HHADLN Cn1c(=O)c2ccc(C(=O)OCc3cnc(-c4ccccc4)s3)cc2[nH]c1=S ZINC000303296234 971607649 /nfs/dbraw/zinc/60/76/49/971607649.db2.gz LQRRKQXQCLVFKF-UHFFFAOYSA-N 0 2 409.492 3.703 20 0 HHADLN CCOc1ccc2nc(NS(=O)(=O)c3cnn(Cc4ccccc4)c3)sc2c1 ZINC000524297185 1013107739 /nfs/dbraw/zinc/10/77/39/1013107739.db2.gz HWENOWIHCWJCDV-UHFFFAOYSA-N 0 2 414.512 3.741 20 0 HHADLN CC(=O)c1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccc(C(F)(F)F)cn2)cc1 ZINC000524298052 1013109377 /nfs/dbraw/zinc/10/93/77/1013109377.db2.gz MVKQGOHISHPUKA-UHFFFAOYSA-N 0 2 424.404 3.598 20 0 HHADLN C[C@H]1CN(Cc2csc(NS(=O)(=O)c3ccc4ccccc4c3)n2)C[C@H](C)O1 ZINC000524298580 1013110815 /nfs/dbraw/zinc/11/08/15/1013110815.db2.gz RFFCSNJJKWAMQN-GJZGRUSLSA-N 0 2 417.556 3.706 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3c(C)nn(-c4ccccc4)c3C)cc21 ZINC000303769252 972017508 /nfs/dbraw/zinc/01/75/08/972017508.db2.gz MQUUGLCAZVHXCL-UHFFFAOYSA-N 0 2 424.526 3.589 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)C2CCN(C(=O)c3cccc4ccccc43)CC2)s[nH]1 ZINC000524319044 1013137282 /nfs/dbraw/zinc/13/72/82/1013137282.db2.gz FXKPUPFFILPJOX-UHFFFAOYSA-N 0 2 422.554 3.902 20 0 HHADLN Cc1sc2ccc(Cl)cc2c1S(=O)(=O)Nc1nc(-c2ccncc2)ns1 ZINC000542219613 1013171339 /nfs/dbraw/zinc/17/13/39/1013171339.db2.gz HSRJGIRYOZGRGY-UHFFFAOYSA-N 0 2 422.944 3.999 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc2[nH]c(-c3ccccn3)nc2c1 ZINC000542234684 1013190402 /nfs/dbraw/zinc/19/04/02/1013190402.db2.gz ODHWEKKOTFDLBV-UHFFFAOYSA-N 0 2 424.530 3.895 20 0 HHADLN COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccccc3OC)n2)c1 ZINC000005602325 960749596 /nfs/dbraw/zinc/74/95/96/960749596.db2.gz DCIKWCCBAVMHMQ-UHFFFAOYSA-N 0 2 406.485 3.637 20 0 HHADLN COc1ccc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)cc1Br ZINC000542238019 1013197744 /nfs/dbraw/zinc/19/77/44/1013197744.db2.gz WBMGUOWIWLGLIJ-UHFFFAOYSA-N 0 2 416.341 3.728 20 0 HHADLN CCc1nc(NS(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)sc1C ZINC000537652485 1013213576 /nfs/dbraw/zinc/21/35/76/1013213576.db2.gz RFNXBTZUWNURMR-UHFFFAOYSA-N 0 2 415.606 3.581 20 0 HHADLN CC(C)CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)s1 ZINC000537653950 1013215064 /nfs/dbraw/zinc/21/50/64/1013215064.db2.gz JERKVIWEMPRDGL-UHFFFAOYSA-N 0 2 406.573 3.742 20 0 HHADLN O=C(Nc1cc(F)cc(F)c1)c1ccc2c(=O)n(Cc3ccco3)c(=S)[nH]c2c1 ZINC000010667058 961880123 /nfs/dbraw/zinc/88/01/23/961880123.db2.gz ALCTYDKPKVBOJZ-UHFFFAOYSA-N 0 2 413.405 3.857 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)cc1 ZINC000537738706 1013299618 /nfs/dbraw/zinc/29/96/18/1013299618.db2.gz CXYGKAGRGDNLMC-UHFFFAOYSA-N 0 2 410.561 3.652 20 0 HHADLN COCCn1ccc2ccc(NS(=O)(=O)c3ccc(C(=O)OC)cc3Cl)cc21 ZINC000537738267 1013299658 /nfs/dbraw/zinc/29/96/58/1013299658.db2.gz IQFBNQDHLVVOAK-UHFFFAOYSA-N 0 2 422.890 3.529 20 0 HHADLN O=C(NNC(=S)Nc1ccc(Oc2ccccc2)cc1)c1n[nH]c2c1CCCC2 ZINC000011093785 962005972 /nfs/dbraw/zinc/00/59/72/962005972.db2.gz HCVAFBULRVIGTM-UHFFFAOYSA-N 0 2 407.499 3.712 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cc2[nH]c1=S ZINC000011918125 962208586 /nfs/dbraw/zinc/20/85/86/962208586.db2.gz NKFKAPLLZVFOJF-UHFFFAOYSA-N 0 2 423.494 3.999 20 0 HHADLN O=C1CCCN1c1ccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000012198612 962252536 /nfs/dbraw/zinc/25/25/36/962252536.db2.gz KEMPITYLCOCODV-UHFFFAOYSA-N 0 2 407.904 3.877 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000014372082 962490739 /nfs/dbraw/zinc/49/07/39/962490739.db2.gz SFLQCBDHYHXNBS-UHFFFAOYSA-N 0 2 414.487 3.604 20 0 HHADLN CCOc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(CCCOC)c3=O)cc1 ZINC000016506492 963056670 /nfs/dbraw/zinc/05/66/70/963056670.db2.gz YSSDIBRUNZBVIX-UHFFFAOYSA-N 0 2 413.499 3.747 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000021066173 963416306 /nfs/dbraw/zinc/41/63/06/963416306.db2.gz AAPCKNMSGOINSC-UHFFFAOYSA-N 0 2 418.478 3.509 20 0 HHADLN CC(C)C/N=C1\NC(=O)C(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S1 ZINC000021883904 963554263 /nfs/dbraw/zinc/55/42/63/963554263.db2.gz IZAKCVLHCCEWAT-LBPRGKRZSA-N 0 2 407.845 3.931 20 0 HHADLN COc1c(Br)cc(Cl)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000024222799 963964602 /nfs/dbraw/zinc/96/46/02/963964602.db2.gz ZXDKLSQJSDGODG-UHFFFAOYSA-N 0 2 421.656 3.820 20 0 HHADLN Cc1c(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)cnn1C ZINC000025131352 964187956 /nfs/dbraw/zinc/18/79/56/964187956.db2.gz GOOOFRADZRNQIM-UHFFFAOYSA-N 0 2 422.869 3.574 20 0 HHADLN CCc1cc(C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)n[nH]1 ZINC000025131758 964188431 /nfs/dbraw/zinc/18/84/31/964188431.db2.gz TZNDVZLKMDREKN-UHFFFAOYSA-N 0 2 422.869 3.818 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)s1 ZINC000025453599 964274160 /nfs/dbraw/zinc/27/41/60/964274160.db2.gz SABFFJMRKGTYRH-UHFFFAOYSA-N 0 2 406.508 3.981 20 0 HHADLN COc1ccc(NC(=O)c2nnc(CSc3n[nH]c(C(C)(C)C)n3)s2)cc1 ZINC000028190254 965054361 /nfs/dbraw/zinc/05/43/61/965054361.db2.gz JLRCVSHODHWMOK-UHFFFAOYSA-N 0 2 404.521 3.507 20 0 HHADLN O=S(=O)(Nc1ccc(OC(F)F)cc1OC(F)F)c1c[nH]c2ncccc12 ZINC000057118267 965288320 /nfs/dbraw/zinc/28/83/20/965288320.db2.gz PMBMGRRKNOPANJ-UHFFFAOYSA-N 0 2 405.329 3.567 20 0 HHADLN Cc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000057120039 965290998 /nfs/dbraw/zinc/29/09/98/965290998.db2.gz RKWXWZWVFOZZPW-UHFFFAOYSA-N 0 2 409.826 3.829 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3C[C@H](C(F)(F)F)OC(C)(C)C3)=N2)c1 ZINC000553712433 1013565128 /nfs/dbraw/zinc/56/51/28/1013565128.db2.gz XTRNVYARHUNETK-MRXNPFEDSA-N 0 2 411.424 3.883 20 0 HHADLN O=C(CCc1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1)N1CCCC1 ZINC000057125229 965299297 /nfs/dbraw/zinc/29/92/97/965299297.db2.gz NQCXBVFIWLGKBT-UHFFFAOYSA-N 0 2 410.898 3.835 20 0 HHADLN C[C@]1(c2ccccc2)NC(=O)N(NC(=O)c2sc3cc(F)ccc3c2Cl)C1=O ZINC000029580760 965421015 /nfs/dbraw/zinc/42/10/15/965421015.db2.gz IBNRYNHXWQHRFJ-LJQANCHMSA-N 0 2 417.849 3.806 20 0 HHADLN Cc1cccc(NC(=S)NNC(=O)c2csc(COc3ccc(F)cc3)n2)c1 ZINC000029698337 965464287 /nfs/dbraw/zinc/46/42/87/965464287.db2.gz HARUCVYPPDIJCN-UHFFFAOYSA-N 0 2 416.503 3.801 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1[N+](=O)[O-] ZINC000057689335 965523740 /nfs/dbraw/zinc/52/37/40/965523740.db2.gz NGHRELFSWWBDHK-UHFFFAOYSA-N 0 2 401.469 3.926 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccc(F)c(Cl)c1 ZINC000057702302 965526149 /nfs/dbraw/zinc/52/61/49/965526149.db2.gz WKUPKLKDVDRXQB-UHFFFAOYSA-N 0 2 412.851 3.554 20 0 HHADLN COc1ccc(-c2csc(NS(=O)(=O)c3cc(C)ccc3C)n2)cc1OC ZINC000057719725 965530117 /nfs/dbraw/zinc/53/01/17/965530117.db2.gz CMGKOMMSWWPZCJ-UHFFFAOYSA-N 0 2 404.513 3.667 20 0 HHADLN O=c1nc(CN2CCN(c3ccccn3)CC2)[nH]c2cc(-c3ccc(F)cc3)sc21 ZINC000057846992 965562294 /nfs/dbraw/zinc/56/22/94/965562294.db2.gz FBRNLDRBJYZEBI-UHFFFAOYSA-N 0 2 421.501 3.508 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCCc3c[nH]c4cc(F)ccc34)s[nH]2)c1 ZINC000542685492 1013605863 /nfs/dbraw/zinc/60/58/63/1013605863.db2.gz ISFKESSXEGTCGK-UHFFFAOYSA-N 0 2 411.462 3.620 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](C)[C@H](OC)c3ccc(F)cc3)s[nH]2)c1 ZINC000542687109 1013606567 /nfs/dbraw/zinc/60/65/67/1013606567.db2.gz XLBQIEOSDYYCDP-PXAZEXFGSA-N 0 2 416.478 3.672 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCc3ncc(-c4ccccc4)o3)s[nH]2)c1 ZINC000542690266 1013609617 /nfs/dbraw/zinc/60/96/17/1013609617.db2.gz BVKKYTUDPJYVAW-UHFFFAOYSA-N 0 2 407.455 3.612 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2cc(NC(=O)C(C)C)ccc2C)cc1OC ZINC000055592109 965946240 /nfs/dbraw/zinc/94/62/40/965946240.db2.gz AVKORCMSIJQQSI-UHFFFAOYSA-N 0 2 410.467 3.547 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1cccc(COCc2ccco2)c1 ZINC000055633068 965977729 /nfs/dbraw/zinc/97/77/29/965977729.db2.gz INVUPOISIFEQMA-UHFFFAOYSA-N 0 2 407.469 3.645 20 0 HHADLN O=C(c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1)N1CCCCCC1 ZINC000055650914 965997225 /nfs/dbraw/zinc/99/72/25/965997225.db2.gz DFAFKVQSXKPQPG-UHFFFAOYSA-N 0 2 412.433 3.921 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1C2CC3CC(C2)CC1C3 ZINC000060741328 966272401 /nfs/dbraw/zinc/27/24/01/966272401.db2.gz ZTTKMBUPPYLWSE-UHFFFAOYSA-N 0 2 417.556 3.955 20 0 HHADLN C[C@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)[C@@H]1COc2ccccc21 ZINC000542726344 1013638597 /nfs/dbraw/zinc/63/85/97/1013638597.db2.gz AYYGBGKYKKBMAB-FZMZJTMJSA-N 0 2 400.891 3.967 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 ZINC000032595217 966290353 /nfs/dbraw/zinc/29/03/53/966290353.db2.gz SQAQWGQRFMNGJG-UHFFFAOYSA-N 0 2 406.460 3.923 20 0 HHADLN CC(C)(C)c1nnc(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)s1 ZINC000542730074 1013642485 /nfs/dbraw/zinc/64/24/85/1013642485.db2.gz VERFBQWKUJFQNW-UHFFFAOYSA-N 0 2 408.940 3.751 20 0 HHADLN COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3ccc(F)cc3F)n2)c1 ZINC000033495689 966409695 /nfs/dbraw/zinc/40/96/95/966409695.db2.gz IRCQXLVGALBLHD-UHFFFAOYSA-N 0 2 412.439 3.906 20 0 HHADLN COCc1ccc(S(=O)(=O)Nc2cnn(-c3ccccc3Br)c2)cc1 ZINC000538089926 1013662842 /nfs/dbraw/zinc/66/28/42/1013662842.db2.gz AAGRAHOSMLHKSK-UHFFFAOYSA-N 0 2 422.304 3.582 20 0 HHADLN COc1ccccc1OCc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)o1 ZINC000042197611 966742049 /nfs/dbraw/zinc/74/20/49/966742049.db2.gz ZODVTDDGMQMBHB-UHFFFAOYSA-N 0 2 400.818 3.595 20 0 HHADLN COC(=O)c1ccc(F)c(S(=O)(=O)Nc2nc(-c3cccc(F)c3)cs2)c1 ZINC000063183927 966771150 /nfs/dbraw/zinc/77/11/50/966771150.db2.gz ZBCJQUKGMCPDJM-UHFFFAOYSA-N 0 2 410.423 3.676 20 0 HHADLN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2nc3ccc(C)cc3s2)cc1 ZINC000063183122 966771534 /nfs/dbraw/zinc/77/15/34/966771534.db2.gz PSYAWMJMSHKHSE-UHFFFAOYSA-N 0 2 403.529 3.888 20 0 HHADLN CC(C)Cc1nc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cs1 ZINC000063568358 966890771 /nfs/dbraw/zinc/89/07/71/966890771.db2.gz MYIWKZRXUPJGEZ-UHFFFAOYSA-N 0 2 422.557 3.851 20 0 HHADLN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000063878422 966985063 /nfs/dbraw/zinc/98/50/63/966985063.db2.gz IZULYLMFFRIBRB-UHFFFAOYSA-N 0 2 410.451 3.526 20 0 HHADLN COCCn1c2ccc(Cl)cc2nc1SCC(=O)NOCc1ccccc1 ZINC000043940422 967078499 /nfs/dbraw/zinc/07/84/99/967078499.db2.gz LQQGRYQXZMMAFA-UHFFFAOYSA-N 0 2 405.907 3.676 20 0 HHADLN Cn1ccnc1SCc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)o1 ZINC000044648256 967269906 /nfs/dbraw/zinc/26/99/06/967269906.db2.gz TVQPSGCHADMEOP-UHFFFAOYSA-N 0 2 412.515 3.678 20 0 HHADLN COCCCNC(=O)NNC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl ZINC000065205500 967404616 /nfs/dbraw/zinc/40/46/16/967404616.db2.gz ZSHDPAHQIPCYIZ-UHFFFAOYSA-N 0 2 409.817 3.554 20 0 HHADLN COCCn1c2ccc(Cl)cc2nc1SCc1nc(=O)c2sccc2[nH]1 ZINC000045336694 967426108 /nfs/dbraw/zinc/42/61/08/967426108.db2.gz FIWJMMATJDYVIG-UHFFFAOYSA-N 0 2 406.920 3.926 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)N(Cc3ccccc3)C3CC3)cc2[nH]c1=S ZINC000045914399 967593313 /nfs/dbraw/zinc/59/33/13/967593313.db2.gz CAOYFMYVOYBNIM-UHFFFAOYSA-N 0 2 423.538 3.527 20 0 HHADLN COC(=O)c1cc(C)nc2nc(NS(=O)(=O)c3ccc(C)c(Cl)c3)sc21 ZINC000554006638 1013749897 /nfs/dbraw/zinc/74/98/97/1013749897.db2.gz PTGBTVDMEZZHQU-UHFFFAOYSA-N 0 2 411.892 3.549 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cccnc2Oc2ccccc2)cc1NC(C)=O ZINC000047211848 968090451 /nfs/dbraw/zinc/09/04/51/968090451.db2.gz AUAKWACARFLFLB-UHFFFAOYSA-N 0 2 413.455 3.642 20 0 HHADLN COc1ccc(-c2nc(C(=O)Nc3nc(-c4ccccc4OC)n[nH]3)cs2)cc1 ZINC000048011940 968390665 /nfs/dbraw/zinc/39/06/65/968390665.db2.gz OYWAWOSDYNLYDU-UHFFFAOYSA-N 0 2 407.455 3.865 20 0 HHADLN C[C@@H]1CN(c2ccc(NS(=O)(=O)c3cc(F)ccc3F)cc2F)C[C@H](C)O1 ZINC000048230181 968494436 /nfs/dbraw/zinc/49/44/36/968494436.db2.gz SCUKFLOBCPBLQW-TXEJJXNPSA-N 0 2 400.422 3.518 20 0 HHADLN O=C(NNC(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1)c1ccccn1 ZINC000065890111 968701399 /nfs/dbraw/zinc/70/13/99/968701399.db2.gz JTIKAIBJRLIFAM-UHFFFAOYSA-N 0 2 402.241 3.602 20 0 HHADLN Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NNC(=O)NC1CCCC1 ZINC000065920345 968714399 /nfs/dbraw/zinc/71/43/99/968714399.db2.gz OAHYWKYKFRRELA-UHFFFAOYSA-N 0 2 408.911 3.571 20 0 HHADLN Cc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 ZINC000149463134 970398567 /nfs/dbraw/zinc/39/85/67/970398567.db2.gz XUMHEQCXHBJOCO-AWEZNQCLSA-N 0 2 401.513 3.743 20 0 HHADLN Cc1cc(Br)c(S(=O)(=O)Nc2ccc(F)cn2)cc1Br ZINC000161639380 970446318 /nfs/dbraw/zinc/44/63/18/970446318.db2.gz VPSATVSFJKWVGX-UHFFFAOYSA-N 0 2 424.089 3.855 20 0 HHADLN O=C(C1=NN(c2ccccc2)CC1=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000554669012 1014006784 /nfs/dbraw/zinc/00/67/84/1014006784.db2.gz JUPOTUODTLNUSU-GOSISDBHSA-N 0 2 417.387 3.810 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NC[C@H]3CCCO[C@H]3c3ccccc3)cc2[nH]c1=S ZINC000261378309 970634430 /nfs/dbraw/zinc/63/44/30/970634430.db2.gz HIQZJAPTOJPTJD-XLIONFOSSA-N 0 2 423.538 3.603 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N3[C@H](C)CO[C@H](c4ccccc4)[C@H]3C)cc2[nH]c1=S ZINC000261418835 970666501 /nfs/dbraw/zinc/66/65/01/970666501.db2.gz AQFLZXBRCMAXSR-SXGZJXTBSA-N 0 2 423.538 3.696 20 0 HHADLN Cc1cc(-c2nnc(NS(=O)(=O)c3ccc(C)c(C(=O)OC(C)C)c3)o2)c(C)o1 ZINC000554727405 1014032849 /nfs/dbraw/zinc/03/28/49/1014032849.db2.gz SAPQIOJSWUZVFM-UHFFFAOYSA-N 0 2 419.459 3.621 20 0 HHADLN CCC(C)(C)[C@H]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)OC)nc3)sc2C1 ZINC000554733271 1014034165 /nfs/dbraw/zinc/03/41/65/1014034165.db2.gz DCEKQJQUTQQQQM-LBPRGKRZSA-N 0 2 423.560 3.667 20 0 HHADLN O=S(=O)(Nc1cccc(OC(F)F)c1)c1cc(Br)cnc1Cl ZINC000315700040 972646866 /nfs/dbraw/zinc/64/68/66/972646866.db2.gz DOYKZNPBLRLQFL-UHFFFAOYSA-N 0 2 413.627 3.900 20 0 HHADLN O=S(=O)(Nc1cccnc1N1CCCC1)c1ccc(Br)cc1Cl ZINC000320774840 972684196 /nfs/dbraw/zinc/68/41/96/972684196.db2.gz IBZLTDBVJGMYMU-UHFFFAOYSA-N 0 2 416.728 3.899 20 0 HHADLN O=S(=O)(Nc1nc2c(cc(F)c(F)c2F)s1)c1cncc(Br)c1 ZINC000320945287 972684925 /nfs/dbraw/zinc/68/49/25/972684925.db2.gz XLVDFJXSLWIPEJ-UHFFFAOYSA-N 0 2 424.223 3.672 20 0 HHADLN CCc1cc(Br)ccc1NS(=O)(=O)c1c(C)csc1C(=O)OC ZINC000322856896 972704263 /nfs/dbraw/zinc/70/42/63/972704263.db2.gz YTSFXHDLTIZUIY-UHFFFAOYSA-N 0 2 418.334 3.969 20 0 HHADLN CN(C)C(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2Br)cc1 ZINC000323570155 972712989 /nfs/dbraw/zinc/71/29/89/972712989.db2.gz ADFGZBXRTORBTL-UHFFFAOYSA-N 0 2 417.712 3.605 20 0 HHADLN CCc1cc(Br)ccc1NS(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000326423722 972742040 /nfs/dbraw/zinc/74/20/40/972742040.db2.gz VSKAWMPTXYXZFH-UHFFFAOYSA-N 0 2 416.268 3.738 20 0 HHADLN CC(C)Cc1nnc(NS(=O)(=O)c2c(Cl)cccc2Br)s1 ZINC000385784665 972796585 /nfs/dbraw/zinc/79/65/85/972796585.db2.gz NNAHZTAPZCAXBV-UHFFFAOYSA-N 0 2 410.746 3.953 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])cnc1Cl ZINC000389627531 972815296 /nfs/dbraw/zinc/81/52/96/972815296.db2.gz SVEFFJLWZQXRAV-UHFFFAOYSA-N 0 2 406.645 3.515 20 0 HHADLN CC(=O)Nc1ccc(NS(=O)(=O)c2cc(Br)cnc2Cl)cc1C ZINC000390504510 972824107 /nfs/dbraw/zinc/82/41/07/972824107.db2.gz PJKCKOIAINKLTA-UHFFFAOYSA-N 0 2 418.700 3.565 20 0 HHADLN O=S(=O)(Nc1ccccc1OCC(F)(F)F)c1cncc(Br)c1 ZINC000390683384 972827011 /nfs/dbraw/zinc/82/70/11/972827011.db2.gz WVQYFAKTGJSWQR-UHFFFAOYSA-N 0 2 411.199 3.586 20 0 HHADLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3cnn(Cc4ccccc4)c3)sc2C1 ZINC000409539677 972995905 /nfs/dbraw/zinc/99/59/05/972995905.db2.gz YBBWHDHLALADDA-CQSZACIVSA-N 0 2 402.545 3.704 20 0 HHADLN COCc1cccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)c1 ZINC000409542134 972998355 /nfs/dbraw/zinc/99/83/55/972998355.db2.gz DAWHLRBQMHSHFY-UHFFFAOYSA-N 0 2 405.227 3.772 20 0 HHADLN O=C(CSCc1cccnc1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000409545581 973002121 /nfs/dbraw/zinc/00/21/21/973002121.db2.gz ZFAVDHGPJLVGLX-UHFFFAOYSA-N 0 2 422.283 3.640 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccccc1Br)c1ccc(F)cc1 ZINC000409584704 973034466 /nfs/dbraw/zinc/03/44/66/973034466.db2.gz LDCYQZRBAFDEDR-UHFFFAOYSA-N 0 2 410.268 3.634 20 0 HHADLN Cc1cccc(Oc2ccc(S(=O)(=O)Nc3ccnn3C[C@@H]3CCOC3)cc2)c1 ZINC000409612214 973059194 /nfs/dbraw/zinc/05/91/94/973059194.db2.gz LIZMQYOOBLTDPG-KRWDZBQOSA-N 0 2 413.499 3.821 20 0 HHADLN O=C1CCCN1c1ccc(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)cc1 ZINC000409628004 973073727 /nfs/dbraw/zinc/07/37/27/973073727.db2.gz SOCHXOHSMBRIAV-UHFFFAOYSA-N 0 2 409.439 3.502 20 0 HHADLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)sc2C1 ZINC000409669055 973129222 /nfs/dbraw/zinc/12/92/22/973129222.db2.gz SXUJNOGMDAUWSB-CYBMUJFWSA-N 0 2 407.561 3.551 20 0 HHADLN CCOc1cc2c(cc1[C@@H]1C[C@@H]1C(=O)N=c1nc(C(C)(C)C)[nH]s1)O[C@H](C)C2 ZINC000409926969 973388882 /nfs/dbraw/zinc/38/88/82/973388882.db2.gz SZXUZLMFALKTCS-ZLDLUXBVSA-N 0 2 401.532 3.722 20 0 HHADLN O=C(Nc1ccc(N2CCC2=O)cc1)c1[nH]nc(-c2ccccc2)c1Br ZINC000410248523 973756355 /nfs/dbraw/zinc/75/63/55/973756355.db2.gz AHKNDRRTLPQODH-UHFFFAOYSA-N 0 2 411.259 3.828 20 0 HHADLN Cc1csc(-c2cccc(S(=O)(=O)Nc3nnc(Cc4ccccc4)o3)c2)n1 ZINC000410328638 973895385 /nfs/dbraw/zinc/89/53/85/973895385.db2.gz VVNNWNQPTMVQGS-UHFFFAOYSA-N 0 2 412.496 3.893 20 0 HHADLN CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cccc(Br)c2F)c1 ZINC000410368580 973964064 /nfs/dbraw/zinc/96/40/64/973964064.db2.gz UXLLASFFWIAXSI-UHFFFAOYSA-N 0 2 401.257 3.656 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)cn1 ZINC000425941426 974050905 /nfs/dbraw/zinc/05/09/05/974050905.db2.gz DFPOZXWUADWLQK-UHFFFAOYSA-N 0 2 413.499 3.911 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)c1C ZINC000425958050 974062811 /nfs/dbraw/zinc/06/28/11/974062811.db2.gz LHDFFGUUZNHBQO-UHFFFAOYSA-N 0 2 404.536 3.839 20 0 HHADLN CNC(=O)c1cc(Oc2ccccc2NS(=O)(=O)c2cc(C)sc2C)ccn1 ZINC000425977830 974086069 /nfs/dbraw/zinc/08/60/69/974086069.db2.gz WRIHTYGEOVUPQR-UHFFFAOYSA-N 0 2 417.512 3.713 20 0 HHADLN Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(I)c(C)n1 ZINC000426189873 974299159 /nfs/dbraw/zinc/29/91/59/974299159.db2.gz NDZIKVKGCRWEKY-UHFFFAOYSA-N 0 2 422.675 3.757 20 0 HHADLN COc1cccc(CSC[C@H]([NH2+]Cc2csc(-c3ccccn3)n2)C(=O)[O-])c1 ZINC000426753647 974636433 /nfs/dbraw/zinc/63/64/33/974636433.db2.gz JVTUTAMTLQSSSJ-SFHVURJKSA-N 0 2 415.540 3.690 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccc2)c1)c1cccc(OC(F)(F)F)c1F ZINC000427213065 974982644 /nfs/dbraw/zinc/98/26/44/974982644.db2.gz OUKQCPBXMHBNEU-UHFFFAOYSA-N 0 2 401.341 3.711 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC[C@@H](Oc4ncccc4F)C3)=N2)cc1 ZINC000427442127 975120652 /nfs/dbraw/zinc/12/06/52/975120652.db2.gz DOBWZXJKXYXWIA-GOSISDBHSA-N 0 2 424.476 3.919 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NCCc2nc(-c3ccccc3)c(C)s2)cn1 ZINC000427460874 975130537 /nfs/dbraw/zinc/13/05/37/975130537.db2.gz VYRJLLVZUYSDPS-UHFFFAOYSA-N 0 2 406.515 3.698 20 0 HHADLN Cc1ccc2c(n1)[nH]cc(C(=O)N1CCC[C@H](c3nc4c(s3)CCCC4)C1)c2=O ZINC000427476063 975138275 /nfs/dbraw/zinc/13/82/75/975138275.db2.gz KWQPVUARYHMWJF-AWEZNQCLSA-N 0 2 408.527 3.999 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(-c2ccncc2)c(C)c1 ZINC000427631104 975216783 /nfs/dbraw/zinc/21/67/83/975216783.db2.gz WJICHLNZFOYVCB-UHFFFAOYSA-N 0 2 400.431 3.784 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)ccc1-c1ccncc1 ZINC000427647106 975223247 /nfs/dbraw/zinc/22/32/47/975223247.db2.gz ULXQBCBOGPFVDC-UHFFFAOYSA-N 0 2 411.458 3.882 20 0 HHADLN Cc1nc2ccc(S(=O)(=O)Nc3nnc(Cc4ccccc4F)s3)cc2s1 ZINC000427741346 975262322 /nfs/dbraw/zinc/26/23/22/975262322.db2.gz CWNZOMKYMNTNNB-UHFFFAOYSA-N 0 2 420.516 3.987 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc(/C=C\c3ccccc3)cs2)cnc1C ZINC000427747629 975265933 /nfs/dbraw/zinc/26/59/33/975265933.db2.gz MCNQAEDHYYPUMC-HJWRWDBZSA-N 0 2 415.496 3.604 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc3c(s2)c(Cl)ccc3C)cnc1C ZINC000427756831 975270703 /nfs/dbraw/zinc/27/07/03/975270703.db2.gz AFKMQTMYDBFTJQ-UHFFFAOYSA-N 0 2 411.892 3.549 20 0 HHADLN Cc1nc2ccc(S(=O)(=O)Nc3nnc(-c4cccc(N(C)C)c4)o3)cc2s1 ZINC000427758401 975271346 /nfs/dbraw/zinc/27/13/46/975271346.db2.gz CJZGPELZVSQQDK-UHFFFAOYSA-N 0 2 415.500 3.522 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccccc2)cn1)c1cccc(OC(F)(F)F)c1F ZINC000427761242 975274070 /nfs/dbraw/zinc/27/40/70/975274070.db2.gz PAQVFWWFRNYCHE-UHFFFAOYSA-N 0 2 413.352 3.982 20 0 HHADLN CCOC(=O)c1cc(COC)cc(S(=O)(=O)Nc2nc3c(cccc3C)s2)c1 ZINC000427777096 975282712 /nfs/dbraw/zinc/28/27/12/975282712.db2.gz YAOQEISXRUOHAL-UHFFFAOYSA-N 0 2 420.512 3.729 20 0 HHADLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)n1 ZINC000427785624 975287357 /nfs/dbraw/zinc/28/73/57/975287357.db2.gz DRLHMJKCLCDLDO-UHFFFAOYSA-N 0 2 405.373 3.755 20 0 HHADLN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1nc(C(C)(C)C)co1 ZINC000427790402 975290136 /nfs/dbraw/zinc/29/01/36/975290136.db2.gz SSWKALFEVMBYIP-UHFFFAOYSA-N 0 2 406.382 3.578 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NC34CCC(C(F)(F)F)(CC3)CC4)=N2)cc1 ZINC000427845371 975318341 /nfs/dbraw/zinc/31/83/41/975318341.db2.gz XKANKMQYMDQCEE-UHFFFAOYSA-N 0 2 409.408 3.972 20 0 HHADLN CCCc1c(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cnn1-c1ccc(C)cc1 ZINC000428781575 976055624 /nfs/dbraw/zinc/05/56/24/976055624.db2.gz OOVIGKOXNASPMM-UHFFFAOYSA-N 0 2 404.499 3.721 20 0 HHADLN COc1ccccc1-c1n[nH]c(NC(=O)c2c[nH]nc2-c2ccc(Cl)s2)n1 ZINC000429064306 976351167 /nfs/dbraw/zinc/35/11/67/976351167.db2.gz ZPZOLJUDKULAPJ-UHFFFAOYSA-N 0 2 400.851 3.838 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC[C@@H]3c3csc(C)n3)s[nH]2)c1 ZINC000429537016 976799980 /nfs/dbraw/zinc/79/99/80/976799980.db2.gz GEPVNOQDFFQANV-OAHLLOKOSA-N 0 2 401.517 3.770 20 0 HHADLN COc1ccc(Br)c(CN(C)C(=O)N=c2nc(C(C)(C)C)[nH]s2)c1 ZINC000429741582 977033059 /nfs/dbraw/zinc/03/30/59/977033059.db2.gz HRMQGRNSIRBKCN-UHFFFAOYSA-N 0 2 413.341 3.693 20 0 HHADLN Cc1nc(NS(=O)(=O)c2cccc(Cl)c2Br)nc2c1CCCC2 ZINC000430058704 977302656 /nfs/dbraw/zinc/30/26/56/977302656.db2.gz ZZJOUWWTJRATNT-UHFFFAOYSA-N 0 2 416.728 3.881 20 0 HHADLN Cc1nc2ccc(NS(=O)(=O)c3cc(Cl)ccc3OCC3CCC3)cn2n1 ZINC000430367599 977505239 /nfs/dbraw/zinc/50/52/39/977505239.db2.gz BYPDSAHWTQHGNJ-UHFFFAOYSA-N 0 2 406.895 3.671 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(Cl)c(CN3CCOCC3)c2)cc1F ZINC000430373865 977510070 /nfs/dbraw/zinc/51/00/70/977510070.db2.gz GBEMKKAWCLVKDP-UHFFFAOYSA-N 0 2 416.877 3.560 20 0 HHADLN CCOC(=O)C1CCN(C(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)CC1 ZINC000430399694 977522964 /nfs/dbraw/zinc/52/29/64/977522964.db2.gz LJNYJTJPSDLKFB-UHFFFAOYSA-N 0 2 420.465 3.736 20 0 HHADLN COCCn1nc(C)c(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1C ZINC000430905049 977872268 /nfs/dbraw/zinc/87/22/68/977872268.db2.gz CIHWTVLLADAMDW-UHFFFAOYSA-N 0 2 418.295 3.551 20 0 HHADLN CCCCN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2sc(C)cc2C)c1 ZINC000431144093 978046798 /nfs/dbraw/zinc/04/67/98/978046798.db2.gz QLXANNOSKJJCPK-UHFFFAOYSA-N 0 2 416.590 3.586 20 0 HHADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc4c(c3)N(C)CC4)s2)c(C)c1 ZINC000431319868 978205440 /nfs/dbraw/zinc/20/54/40/978205440.db2.gz VTVNITOSAKOYEE-UHFFFAOYSA-N 0 2 400.529 3.615 20 0 HHADLN CC(=O)Nc1cc(S(=O)(=O)Nc2nnc(-c3cc(C)cc(C)c3)s2)ccc1C ZINC000431326884 978212661 /nfs/dbraw/zinc/21/26/61/978212661.db2.gz OLTUIAOLMWFWGW-UHFFFAOYSA-N 0 2 416.528 3.890 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)cnn1-c1ccc(Cl)cc1 ZINC000431328712 978214363 /nfs/dbraw/zinc/21/43/63/978214363.db2.gz OHVZXNFGCVHJMG-UHFFFAOYSA-N 0 2 423.829 3.505 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cnn1-c1ccccc1C ZINC000432050574 978661332 /nfs/dbraw/zinc/66/13/32/978661332.db2.gz AOVYLUVWRAJNRX-UHFFFAOYSA-N 0 2 412.515 3.892 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cnn1-c1ccccc1C ZINC000432055775 978663235 /nfs/dbraw/zinc/66/32/35/978663235.db2.gz URRSHZWRVACZBW-UHFFFAOYSA-N 0 2 411.487 3.516 20 0 HHADLN COCCn1nc(C)c(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1C ZINC000432195197 978708688 /nfs/dbraw/zinc/70/86/88/978708688.db2.gz USSQFAVJHJWQNG-UHFFFAOYSA-N 0 2 411.833 3.619 20 0 HHADLN NC(=O)CCOc1ccccc1NS(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000432202930 978712255 /nfs/dbraw/zinc/71/22/55/978712255.db2.gz RIUWHILTQJBZFL-UHFFFAOYSA-N 0 2 410.904 3.610 20 0 HHADLN CC(C)c1ccc(Cn2nccc2NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)cc1 ZINC000432205350 978712966 /nfs/dbraw/zinc/71/29/66/978712966.db2.gz LJERGQVDWIRBSC-UHFFFAOYSA-N 0 2 422.510 3.697 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N[C@@H]1C[C@H]1c1ccccc1 ZINC000432209256 978714587 /nfs/dbraw/zinc/71/45/87/978714587.db2.gz ZBKAABDSPCJAFP-DLBZAZTESA-N 0 2 414.512 3.622 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NCC2(c3ccccc3)CCOCC2)=N1 ZINC000432279948 978741516 /nfs/dbraw/zinc/74/15/16/978741516.db2.gz LKXQPAZSVWTPCB-UHFFFAOYSA-N 0 2 409.461 3.504 20 0 HHADLN CCCN(C(=O)C1=NN(c2ccc(F)cc2C)CC1=O)[C@H](C)C(=O)Nc1ccccc1 ZINC000432288191 978745617 /nfs/dbraw/zinc/74/56/17/978745617.db2.gz XHRAECSRVYNKPR-MRXNPFEDSA-N 0 2 424.476 3.905 20 0 HHADLN COC(=O)c1nc(NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)sc1C1CC1 ZINC000432361930 978777670 /nfs/dbraw/zinc/77/76/70/978777670.db2.gz FVOYMPFDLIXTHW-UHFFFAOYSA-N 0 2 420.434 3.935 20 0 HHADLN O=c1ccc2cc(S(=O)(=O)Nc3nc4c(ccc5c4CCCC5)s3)ccc2[nH]1 ZINC000432384256 978790519 /nfs/dbraw/zinc/79/05/19/978790519.db2.gz AXFVLHRLJQTRPI-UHFFFAOYSA-N 0 2 411.508 3.817 20 0 HHADLN CC(C)n1nc(-c2ccccc2)cc1NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000432388348 978792146 /nfs/dbraw/zinc/79/21/46/978792146.db2.gz QKTPTXOUQYXHRY-UHFFFAOYSA-N 0 2 408.483 3.773 20 0 HHADLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1 ZINC000432456635 978821410 /nfs/dbraw/zinc/82/14/10/978821410.db2.gz XQPXYWPCEPXSOU-UHFFFAOYSA-N 0 2 414.274 3.716 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ccc(Oc4ccncc4)cc3)cnc2c1Cl ZINC000432760151 978962721 /nfs/dbraw/zinc/96/27/21/978962721.db2.gz YJQTYBWMEOFDMP-UHFFFAOYSA-N 0 2 415.862 3.679 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)c1C ZINC000433142961 979096635 /nfs/dbraw/zinc/09/66/35/979096635.db2.gz WSJPKPYRPRMDEW-UHFFFAOYSA-N 0 2 403.460 3.620 20 0 HHADLN O=S(=O)(Nc1nccc(-c2cncc(F)c2)n1)c1csc(-c2ccccc2)n1 ZINC000433176495 979119929 /nfs/dbraw/zinc/11/99/29/979119929.db2.gz SAORIZYSGQVOMG-UHFFFAOYSA-N 0 2 413.459 3.602 20 0 HHADLN CCCCCOc1ccc(S(=O)(=O)Nc2ccnn2-c2nc(C)cc(C)n2)cc1 ZINC000433384255 979267161 /nfs/dbraw/zinc/26/71/61/979267161.db2.gz JWPREAOHKOEMCC-UHFFFAOYSA-N 0 2 415.519 3.649 20 0 HHADLN O=S(=O)(N[C@@H](c1cc(F)ccc1F)C(F)F)c1ccc(Br)o1 ZINC000433457975 979316564 /nfs/dbraw/zinc/31/65/64/979316564.db2.gz DOUUUQJQZUMSQS-NSHDSACASA-N 0 2 402.163 3.605 20 0 HHADLN C[S@](=O)c1cccc(NS(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000433594077 979411209 /nfs/dbraw/zinc/41/12/09/979411209.db2.gz BSMHRGNIKNDARN-IBGZPJMESA-N 0 2 414.755 3.702 20 0 HHADLN Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3ccc(F)cc3Br)c2C)o1 ZINC000433606055 979420161 /nfs/dbraw/zinc/42/01/61/979420161.db2.gz AZSORNJAPJVRPL-UHFFFAOYSA-N 0 2 414.256 3.989 20 0 HHADLN CC(=O)Nc1cccc(NS(=O)(=O)c2cc(Br)sc2Cl)c1 ZINC000433615731 979427749 /nfs/dbraw/zinc/42/77/49/979427749.db2.gz HYXLKRLHVOZMIV-UHFFFAOYSA-N 0 2 409.714 3.923 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)S(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435420359 980853546 /nfs/dbraw/zinc/85/35/46/980853546.db2.gz CXESPZZKVZSUDV-UHFFFAOYSA-N 0 2 422.290 3.664 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)cc1OC ZINC000435479455 980891967 /nfs/dbraw/zinc/89/19/67/980891967.db2.gz LBCWVINEPPNMMH-UHFFFAOYSA-N 0 2 408.234 3.729 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccsc2)o1)c1c(Cl)cc(F)cc1Cl ZINC000435899979 981083057 /nfs/dbraw/zinc/08/30/57/981083057.db2.gz YXFRCBRGTNIXET-UHFFFAOYSA-N 0 2 408.263 3.969 20 0 HHADLN CCc1nc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)sc1C(=O)OC ZINC000435909459 981087829 /nfs/dbraw/zinc/08/78/29/981087829.db2.gz ZSTZCPHVCGFSAS-UHFFFAOYSA-N 0 2 413.279 3.739 20 0 HHADLN CCn1cnnc1-c1ccccc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000436004874 981147907 /nfs/dbraw/zinc/14/79/07/981147907.db2.gz POHRBORSFJMRJK-UHFFFAOYSA-N 0 2 414.384 3.924 20 0 HHADLN CC(C)CC(=O)Nc1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1 ZINC000436015835 981156647 /nfs/dbraw/zinc/15/66/47/981156647.db2.gz XLELUQJSYLQBGW-UHFFFAOYSA-N 0 2 410.499 3.929 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)cc1Br ZINC000436031200 981168808 /nfs/dbraw/zinc/16/88/08/981168808.db2.gz XGEIWUSCGMLVHJ-UHFFFAOYSA-N 0 2 420.288 3.716 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccc(Cl)cc2)c1)c1cnc(-c2ccccc2)nc1 ZINC000436150894 981222432 /nfs/dbraw/zinc/22/24/32/981222432.db2.gz HBOBRNDXPSYFMR-UHFFFAOYSA-N 0 2 411.874 3.784 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1cc(C)cc(Br)c1 ZINC000436193961 981243618 /nfs/dbraw/zinc/24/36/18/981243618.db2.gz ZYYGZAFKAOCUCU-UHFFFAOYSA-N 0 2 404.307 3.715 20 0 HHADLN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000436273010 981279974 /nfs/dbraw/zinc/27/99/74/981279974.db2.gz IGLWYFWHGOHEFY-AWEZNQCLSA-N 0 2 422.876 3.645 20 0 HHADLN Cc1nccc(-c2cccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3O)c2)n1 ZINC000436474984 981393157 /nfs/dbraw/zinc/39/31/57/981393157.db2.gz AXBYZAJZPRGBOG-UHFFFAOYSA-N 0 2 409.389 3.977 20 0 HHADLN CC(C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)c1 ZINC000436479268 981394565 /nfs/dbraw/zinc/39/45/65/981394565.db2.gz PYADCRQLBYLATP-UHFFFAOYSA-N 0 2 402.394 3.806 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(O)c(-c3nc(-c4ccco4)no3)c2)cc1 ZINC000436518090 981413759 /nfs/dbraw/zinc/41/37/59/981413759.db2.gz WHSXWCWLFUOKMJ-UHFFFAOYSA-N 0 2 413.411 3.512 20 0 HHADLN O=C(N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1cc(F)c(O)c(F)c1 ZINC000436523651 981416842 /nfs/dbraw/zinc/41/68/42/981416842.db2.gz UYUCBLKGJXEHPG-LLVKDONJSA-N 0 2 402.319 3.578 20 0 HHADLN C[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)c1nc(-c2ccc(Br)cc2)no1 ZINC000436527704 981420141 /nfs/dbraw/zinc/42/01/41/981420141.db2.gz UVXMQXBXFCKEAQ-MRVPVSSYSA-N 0 2 424.201 3.974 20 0 HHADLN Cc1cn(-c2cccc(NC(=O)c3cc(F)cc(Br)c3O)c2)c(=O)[nH]1 ZINC000436537472 981427403 /nfs/dbraw/zinc/42/74/03/981427403.db2.gz HIWXDQXWWFHHCI-UHFFFAOYSA-N 0 2 406.211 3.746 20 0 HHADLN C[C@H](NC(=O)c1cc(Cl)cc(Br)c1O)c1ccc(-n2cncn2)cc1 ZINC000436628880 981482564 /nfs/dbraw/zinc/48/25/64/981482564.db2.gz RWMOWIJIMSHXJR-JTQLQIEISA-N 0 2 421.682 3.880 20 0 HHADLN O=C(NC1CCN(c2cccc[nH+]2)CC1)c1cc(Cl)cc(Br)c1[O-] ZINC000436628153 981482636 /nfs/dbraw/zinc/48/26/36/981482636.db2.gz OILAUZHBHZRYJA-UHFFFAOYSA-N 0 2 410.699 3.602 20 0 HHADLN O=C(NCc1cc(=O)[nH]c2ccccc12)c1cc(Cl)cc(Br)c1O ZINC000436634895 981484914 /nfs/dbraw/zinc/48/49/14/981484914.db2.gz QXUWVUOKGYCUAY-UHFFFAOYSA-N 0 2 407.651 3.992 20 0 HHADLN O=C(NC[C@H]1CCN(c2ccccc2F)C1)c1cc(F)cc(Br)c1O ZINC000436641564 981489549 /nfs/dbraw/zinc/48/95/49/981489549.db2.gz OHTPYNHHDNWMHS-LLVKDONJSA-N 0 2 411.246 3.689 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000436652752 981493270 /nfs/dbraw/zinc/49/32/70/981493270.db2.gz QMEIFFINXULCMV-FQEVSTJZSA-N 0 2 422.294 3.751 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CC[C@](CO)(c2ccccc2)C1 ZINC000436655577 981494480 /nfs/dbraw/zinc/49/44/80/981494480.db2.gz JHNWAOIATPSTSP-SFHVURJKSA-N 0 2 410.695 3.584 20 0 HHADLN CC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(Cl)ccc2Br)c1 ZINC000436670503 981502745 /nfs/dbraw/zinc/50/27/45/981502745.db2.gz GLSGLLLHNZLXOL-UHFFFAOYSA-N 0 2 404.669 3.812 20 0 HHADLN Cc1cc(=O)c(C(=O)Nc2cc(Cl)cc(Cl)c2O)nn1-c1ccccc1F ZINC000436672787 981504664 /nfs/dbraw/zinc/50/46/64/981504664.db2.gz OGCYECJQPWNIMT-UHFFFAOYSA-N 0 2 408.216 3.945 20 0 HHADLN COC(=O)c1cccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1O ZINC000436802919 981568709 /nfs/dbraw/zinc/56/87/09/981568709.db2.gz GXKYMIPLSKHNLC-UHFFFAOYSA-N 0 2 416.231 3.584 20 0 HHADLN O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)c1cc(F)cc(Br)c1O ZINC000436847650 981588447 /nfs/dbraw/zinc/58/84/47/981588447.db2.gz KRTBQHCXBXDCBE-NSHDSACASA-N 0 2 411.246 3.689 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000436850676 981590078 /nfs/dbraw/zinc/59/00/78/981590078.db2.gz IYUKMZJVVLVYHZ-OAHLLOKOSA-N 0 2 408.267 3.768 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc(/C=C\c3ccccc3)cs2)ccc1O ZINC000436851316 981590785 /nfs/dbraw/zinc/59/07/85/981590785.db2.gz LOLCALZLOLYBGA-FPLPWBNLSA-N 0 2 416.480 3.607 20 0 HHADLN Cc1cccc(C[NH+]2CCN(C(=O)c3cc(F)cc(Br)c3[O-])CC2)c1 ZINC000436853921 981592100 /nfs/dbraw/zinc/59/21/00/981592100.db2.gz RBIICWBTKLUPBX-UHFFFAOYSA-N 0 2 407.283 3.560 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CCC[C@]2(C1)OCc1ccccc12 ZINC000436856026 981593609 /nfs/dbraw/zinc/59/36/09/981593609.db2.gz WYACKEKBYWEHPJ-LJQANCHMSA-N 0 2 406.251 3.956 20 0 HHADLN CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)c1cc(F)cc(Br)c1O ZINC000436865230 981596653 /nfs/dbraw/zinc/59/66/53/981596653.db2.gz SBHWDFKVOJQEIT-UHFFFAOYSA-N 0 2 404.239 3.956 20 0 HHADLN Cc1ccc(NC(=O)c2cc(F)cc(Br)c2O)cc1C(=O)NC(C)C ZINC000436890202 981602580 /nfs/dbraw/zinc/60/25/80/981602580.db2.gz SFKDMIYFRDSDEQ-UHFFFAOYSA-N 0 2 409.255 3.993 20 0 HHADLN NC(=O)CCSc1ccccc1NC(=O)c1cc(F)cc(Br)c1O ZINC000436896865 981605214 /nfs/dbraw/zinc/60/52/14/981605214.db2.gz OTSKQKADHBPSOE-UHFFFAOYSA-N 0 2 413.268 3.514 20 0 HHADLN O=C(NCc1ccccc1Cn1cc[nH+]c1)c1cc(Cl)cc(Br)c1[O-] ZINC000436938758 981634737 /nfs/dbraw/zinc/63/47/37/981634737.db2.gz MORTWLHHGTXRDH-UHFFFAOYSA-N 0 2 420.694 3.983 20 0 HHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000436953877 981643666 /nfs/dbraw/zinc/64/36/66/981643666.db2.gz SDTIMJFINLEONN-HNNXBMFYSA-N 0 2 416.193 3.786 20 0 HHADLN Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2cc(F)c(O)c(F)c2)c1C ZINC000436965336 981652812 /nfs/dbraw/zinc/65/28/12/981652812.db2.gz JCXZNGJGTNPWAD-MRXNPFEDSA-N 0 2 418.440 3.547 20 0 HHADLN C[N@@H+]1CCO[C@H]([C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000436979358 981663491 /nfs/dbraw/zinc/66/34/91/981663491.db2.gz KPTNMWLIROJNJJ-DLBZAZTESA-N 0 2 413.276 3.640 20 0 HHADLN C[N@H+]1CCO[C@H]([C@H](NC(=O)c2cc(F)c([O-])c(Cl)c2)c2ccc(Cl)cc2)C1 ZINC000436979358 981663495 /nfs/dbraw/zinc/66/34/95/981663495.db2.gz KPTNMWLIROJNJJ-DLBZAZTESA-N 0 2 413.276 3.640 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2F)s1)c1ccccc1OC(F)F ZINC000437174682 981830046 /nfs/dbraw/zinc/83/00/46/981830046.db2.gz CNWLXXMRAHBXHP-UHFFFAOYSA-N 0 2 415.418 3.670 20 0 HHADLN CC[C@@H]1COCCN1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C ZINC000448544028 981872912 /nfs/dbraw/zinc/87/29/12/981872912.db2.gz VITVVZQGROBBKI-MRXNPFEDSA-N 0 2 421.494 3.578 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)NCc1ccco1 ZINC000448545441 981874312 /nfs/dbraw/zinc/87/43/12/981874312.db2.gz ARHQMVLYWQHVLB-UHFFFAOYSA-N 0 2 403.435 3.850 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(C(C)C)s2)c(Br)c1 ZINC000437316282 981968049 /nfs/dbraw/zinc/96/80/49/981968049.db2.gz UQSLWVFXDBNMJU-UHFFFAOYSA-N 0 2 419.322 3.616 20 0 HHADLN Cc1cnn(Cc2cc(F)ccc2F)c1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000437386387 982031982 /nfs/dbraw/zinc/03/19/82/982031982.db2.gz FPHOZLBENRBBMG-UHFFFAOYSA-N 0 2 417.359 3.736 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(C)nn2-c2ccc(F)cc2)c1 ZINC000437402844 982046411 /nfs/dbraw/zinc/04/64/11/982046411.db2.gz DJHVHLVYVDGNTP-UHFFFAOYSA-N 0 2 423.853 3.561 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)cc1C ZINC000437403100 982047239 /nfs/dbraw/zinc/04/72/39/982047239.db2.gz ISVQCDYTXFHTKF-UHFFFAOYSA-N 0 2 416.402 3.609 20 0 HHADLN COc1ccc(Cl)cc1-n1cc(S(=O)(=O)Nc2ccc3ncsc3c2)cn1 ZINC000460428180 982216749 /nfs/dbraw/zinc/21/67/49/982216749.db2.gz QSLOOCFNOKWNKQ-UHFFFAOYSA-N 0 2 420.903 3.945 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1Br ZINC000460434399 982224417 /nfs/dbraw/zinc/22/44/17/982224417.db2.gz DJFJPJPDNYEVQF-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN COc1ccccc1CSc1ccccc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000437668388 982283908 /nfs/dbraw/zinc/28/39/08/982283908.db2.gz LYEXGDIJYGSQAF-UHFFFAOYSA-N 0 2 415.540 3.931 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3ccc(F)c(F)c3)o2)ccc1OC(C)C ZINC000460542909 982329525 /nfs/dbraw/zinc/32/95/25/982329525.db2.gz LJXOHLJUQUFMND-UHFFFAOYSA-N 0 2 409.414 3.911 20 0 HHADLN CCn1nc(C)c(NS(=O)(=O)c2cccc(COCC(F)(F)C(F)F)c2)c1C ZINC000460815060 982567835 /nfs/dbraw/zinc/56/78/35/982567835.db2.gz LQAAYPHENNEOIP-UHFFFAOYSA-N 0 2 423.432 3.738 20 0 HHADLN Cc1ccnc(-c2ccc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)cc2)n1 ZINC000460823135 982575109 /nfs/dbraw/zinc/57/51/09/982575109.db2.gz JLPRIRYTYVVUSN-UHFFFAOYSA-N 0 2 409.446 3.578 20 0 HHADLN CC(C)c1nnc2ccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)cn21 ZINC000438241844 982676380 /nfs/dbraw/zinc/67/63/80/982676380.db2.gz YRTZFPRUXIQDMN-UHFFFAOYSA-N 0 2 400.382 3.552 20 0 HHADLN CCc1cc(C2CC2)nc(NS(=O)(=O)CCc2ccccc2Br)n1 ZINC000461110483 982799573 /nfs/dbraw/zinc/79/95/73/982799573.db2.gz WMBZNWBKGGQDMD-UHFFFAOYSA-N 0 2 410.337 3.663 20 0 HHADLN O=S(=O)(Nc1nnc(CCc2ccccc2)o1)c1ccc(C(F)(F)F)s1 ZINC000461111831 982800907 /nfs/dbraw/zinc/80/09/07/982800907.db2.gz KNJSJTYNENBQTK-UHFFFAOYSA-N 0 2 403.407 3.736 20 0 HHADLN O=c1nc(CN2CCO[C@@H](c3ccco3)C2)[nH]c2cc(-c3ccc(F)cc3)sc21 ZINC000438551228 982890400 /nfs/dbraw/zinc/89/04/00/982890400.db2.gz DMJIBXGFNCVYEF-QGZVFWFLSA-N 0 2 411.458 3.957 20 0 HHADLN COc1cc(OC)cc(-c2cccc(NS(=O)(=O)c3ccc(F)c(OC)c3)n2)c1 ZINC000461208997 982922784 /nfs/dbraw/zinc/92/27/84/982922784.db2.gz LIQMFPOPKOFNMU-UHFFFAOYSA-N 0 2 418.446 3.714 20 0 HHADLN CCOCc1ccc(NS(=O)(=O)c2cnn(-c3cc(Cl)ccc3OC)c2)cc1 ZINC000438720643 983025000 /nfs/dbraw/zinc/02/50/00/983025000.db2.gz HMLPTRXHTGJOFU-UHFFFAOYSA-N 0 2 421.906 3.872 20 0 HHADLN Cc1cccc(C(NC(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)c2cccc(C)c2)c1 ZINC000438746592 983040986 /nfs/dbraw/zinc/04/09/86/983040986.db2.gz VYSYLWNWGXEAJS-UHFFFAOYSA-N 0 2 422.554 3.719 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc3nn(C(C)C)cc3c2)cn1 ZINC000438754956 983047949 /nfs/dbraw/zinc/04/79/49/983047949.db2.gz DQPNLWMOUMSWJZ-UHFFFAOYSA-N 0 2 411.487 3.612 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cccc(Oc3ccncc3)c2)cn1 ZINC000438761718 983053843 /nfs/dbraw/zinc/05/38/43/983053843.db2.gz CMSCUZRNAAZGNR-UHFFFAOYSA-N 0 2 422.466 3.869 20 0 HHADLN O=C(NCc1nc(-c2cccs2)no1)c1cc(Cl)cc(Br)c1O ZINC000438951063 983174079 /nfs/dbraw/zinc/17/40/79/983174079.db2.gz UGCWBMUFIDJRRA-UHFFFAOYSA-N 0 2 414.668 3.850 20 0 HHADLN COCCn1cc(S(=O)(=O)Nc2cccc(Oc3ccnc4ccccc43)c2)cn1 ZINC000439042694 983224214 /nfs/dbraw/zinc/22/42/14/983224214.db2.gz JCIDTPOGRMBJPL-UHFFFAOYSA-N 0 2 424.482 3.671 20 0 HHADLN O=C(Nc1nc(-c2cccc3ccccc32)n[nH]1)c1cn(Cc2cccs2)nn1 ZINC000439063727 983233771 /nfs/dbraw/zinc/23/37/71/983233771.db2.gz BFHSCWIKGQFUQC-UHFFFAOYSA-N 0 2 401.455 3.579 20 0 HHADLN CCOc1cc2c(cc1[C@@H]1C[C@H]1NC(=O)C1=NN(c3ccccc3)CC1=O)O[C@@H](C)C2 ZINC000439205681 983310647 /nfs/dbraw/zinc/31/06/47/983310647.db2.gz OKFNRVFAHTYXDN-UCLAIMLFSA-N 0 2 419.481 3.586 20 0 HHADLN CN(CC(C)(C)C)C(=O)c1cccc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000439219058 983315190 /nfs/dbraw/zinc/31/51/90/983315190.db2.gz YKLOIIRFBFGYBD-UHFFFAOYSA-N 0 2 409.465 3.981 20 0 HHADLN CCc1nc(C)c(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)s1 ZINC000439252944 983333127 /nfs/dbraw/zinc/33/31/27/983333127.db2.gz ZJBPJKFUMSSIKS-UHFFFAOYSA-N 0 2 410.272 3.953 20 0 HHADLN COc1cccc(CNC(=O)C2=NN(c3ccccc3)CC2=O)c1OC1CCCC1 ZINC000439388508 983389895 /nfs/dbraw/zinc/38/98/95/983389895.db2.gz PACRTOPDDWLYNP-UHFFFAOYSA-N 0 2 407.470 3.838 20 0 HHADLN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)C1 ZINC000439395339 983392312 /nfs/dbraw/zinc/39/23/12/983392312.db2.gz LBWHNFIHUHYXKB-QZTJIDSGSA-N 0 2 412.534 3.515 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2cnccc2-c2cccc(F)c2)cc1 ZINC000439869739 983562771 /nfs/dbraw/zinc/56/27/71/983562771.db2.gz KEIJDBXZOZZYIT-UHFFFAOYSA-N 0 2 400.431 3.865 20 0 HHADLN CC1CCN(Cc2csc(NS(=O)(=O)c3ccc4c(c3)CC(C)(C)O4)n2)CC1 ZINC000439882436 983568012 /nfs/dbraw/zinc/56/80/12/983568012.db2.gz JOJFIMGPXHTKFP-UHFFFAOYSA-N 0 2 421.588 3.889 20 0 HHADLN Cc1cccc(COc2cccc(NC(=O)C(=O)N=c3nc(C(C)(C)C)[nH]s3)c2)c1 ZINC000440238947 983692589 /nfs/dbraw/zinc/69/25/89/983692589.db2.gz IFVSNSXYFWJNAE-UHFFFAOYSA-N 0 2 424.526 3.722 20 0 HHADLN O=S(=O)(Nc1ccccc1COc1ccccc1)c1cnn(C2CCOCC2)c1 ZINC000441320224 984181119 /nfs/dbraw/zinc/18/11/19/984181119.db2.gz CEYHOMASXVLPFO-UHFFFAOYSA-N 0 2 413.499 3.614 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1N1CCCCC1)c1cnn(C2CCOCC2)c1 ZINC000441373717 984216257 /nfs/dbraw/zinc/21/62/57/984216257.db2.gz CIJKHGOUPNNKKO-UHFFFAOYSA-N 0 2 424.954 3.679 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(s2)C[C@H](C)CC3)cc1Cl ZINC000441381267 984220659 /nfs/dbraw/zinc/22/06/59/984220659.db2.gz RRPBBTLNOQQEFB-SECBINFHSA-N 0 2 400.909 3.509 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1ccc(OCC)c2cccnc12 ZINC000442251619 984772887 /nfs/dbraw/zinc/77/28/87/984772887.db2.gz QUAKNXZADBABGO-UHFFFAOYSA-N 0 2 400.456 3.611 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCCCc2cccc(F)c2)c(F)c1Cl ZINC000462149363 985121289 /nfs/dbraw/zinc/12/12/89/985121289.db2.gz DJGNKRWJZZKEGB-UHFFFAOYSA-N 0 2 420.840 3.627 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C)Cc2cccs2)c(F)c1Cl ZINC000462162799 985138185 /nfs/dbraw/zinc/13/81/85/985138185.db2.gz GLMNMHYLHIMJDI-MRVPVSSYSA-N 0 2 408.879 3.548 20 0 HHADLN CSC[C@@H](C)C(=O)N1CCC(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC1 ZINC000442727011 985188423 /nfs/dbraw/zinc/18/84/23/985188423.db2.gz UZXFLSLGFJKBPR-SNVBAGLBSA-N 0 2 405.347 3.875 20 0 HHADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000442808397 985222340 /nfs/dbraw/zinc/22/23/40/985222340.db2.gz HEFNVFMKULDGSE-UHFFFAOYSA-N 0 2 409.485 3.685 20 0 HHADLN CC(C)(C)[S@](=O)Cc1cccc(NS(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000442818446 985227237 /nfs/dbraw/zinc/22/72/37/985227237.db2.gz OCCGXSURERZLDQ-AREMUKBSSA-N 0 2 420.478 3.948 20 0 HHADLN CCCC(=O)Nc1cccc(NS(=O)(=O)c2cnccc2C(F)(F)F)c1C ZINC000442820736 985227723 /nfs/dbraw/zinc/22/77/23/985227723.db2.gz AFAIFFVNUMRFRG-UHFFFAOYSA-N 0 2 401.410 3.948 20 0 HHADLN COc1cc(NS(=O)(=O)c2cnccc2C(F)(F)F)ccc1Br ZINC000442823156 985229048 /nfs/dbraw/zinc/22/90/48/985229048.db2.gz ZKYZBWZKEFUWDD-UHFFFAOYSA-N 0 2 411.199 3.672 20 0 HHADLN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)c(C)c1 ZINC000442827482 985231054 /nfs/dbraw/zinc/23/10/54/985231054.db2.gz PRJNJPSPNPPJPM-LBPRGKRZSA-N 0 2 415.437 3.738 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(SC)c(Cl)c2)c(OC)c1 ZINC000442828299 985231774 /nfs/dbraw/zinc/23/17/74/985231774.db2.gz RCVVUBADCBXKPC-UHFFFAOYSA-N 0 2 401.893 3.658 20 0 HHADLN O=S(=O)(Nc1cccc(-c2n[nH]c(C3CC3)n2)c1)c1cnccc1C(F)(F)F ZINC000442833951 985235244 /nfs/dbraw/zinc/23/52/44/985235244.db2.gz VTSCCOZFVOYIEO-UHFFFAOYSA-N 0 2 409.393 3.564 20 0 HHADLN CC(C)(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000442838212 985238900 /nfs/dbraw/zinc/23/89/00/985238900.db2.gz SAZNZKSSKJVESD-UHFFFAOYSA-N 0 2 410.492 3.680 20 0 HHADLN Cn1nc(-c2ccncc2)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000462382075 985365499 /nfs/dbraw/zinc/36/54/99/985365499.db2.gz VRXRQEDYTNHAPO-UHFFFAOYSA-N 0 2 416.812 3.955 20 0 HHADLN O=S(=O)(Nc1c(-c2cccnc2)nc2ccccn21)c1cnccc1C(F)(F)F ZINC000443147714 985407608 /nfs/dbraw/zinc/40/76/08/985407608.db2.gz WPWHVZMQEWFBLO-UHFFFAOYSA-N 0 2 419.388 3.611 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC2C3CC4CC(C3)CC2C4)c(F)c1Cl ZINC000462474130 985431520 /nfs/dbraw/zinc/43/15/20/985431520.db2.gz RMZUIROSPAOACH-UHFFFAOYSA-N 0 2 418.893 3.680 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCCc2ccc(Cl)cc2)c(F)c1Cl ZINC000462481708 985438082 /nfs/dbraw/zinc/43/80/82/985438082.db2.gz YSAICRGTHDGCNN-UHFFFAOYSA-N 0 2 423.268 3.751 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CCc3cc(C)ccc32)c(F)c1Cl ZINC000462510282 985461483 /nfs/dbraw/zinc/46/14/83/985461483.db2.gz KTZXFBMNWKWMPB-AWEZNQCLSA-N 0 2 414.861 3.851 20 0 HHADLN CC[C@@]1(C)Oc2ccc(NC(=O)NCc3nnc(COc4ccccc4)[nH]3)cc2O1 ZINC000443354047 985517079 /nfs/dbraw/zinc/51/70/79/985517079.db2.gz HZQAPYTUPXSMDA-NRFANRHFSA-N 0 2 409.446 3.603 20 0 HHADLN CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCc3cc(-c4ccccc4)ccc32)c1 ZINC000467917810 985550895 /nfs/dbraw/zinc/55/08/95/985550895.db2.gz ALJCSEPPHNMSFG-UHFFFAOYSA-N 0 2 422.506 3.512 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cccc(-c3nc(C)co3)c2)cn1 ZINC000467930948 985565065 /nfs/dbraw/zinc/56/50/65/985565065.db2.gz ULVOZILVHREUKR-UHFFFAOYSA-N 0 2 410.455 3.645 20 0 HHADLN O=S(=O)(Nc1cncnc1)c1ccc(Oc2cccc(F)c2)c(Br)c1 ZINC000443416064 985572352 /nfs/dbraw/zinc/57/23/52/985572352.db2.gz SECWYTYWFKTHGY-UHFFFAOYSA-N 0 2 424.251 3.971 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 ZINC000443417132 985573297 /nfs/dbraw/zinc/57/32/97/985573297.db2.gz OTBRJLUBCODQOB-UHFFFAOYSA-N 0 2 409.357 3.585 20 0 HHADLN COc1ccc(-c2nc3ccccc3[nH]2)cc1NS(=O)(=O)C[C@H]1CCCCO1 ZINC000443424280 985581592 /nfs/dbraw/zinc/58/15/92/985581592.db2.gz UJZPILPKZIJKHE-OAHLLOKOSA-N 0 2 401.488 3.549 20 0 HHADLN CCC(C)(C)OCc1cccc(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)c1C ZINC000443452533 985620110 /nfs/dbraw/zinc/62/01/10/985620110.db2.gz JKYQIBNYOZEWJJ-QGZVFWFLSA-N 0 2 407.536 3.659 20 0 HHADLN O=S(=O)(Nc1ccc(Oc2cccc(F)c2)cc1)c1cnn([C@H]2CCOC2)c1 ZINC000443469723 985644157 /nfs/dbraw/zinc/64/41/57/985644157.db2.gz SHNHINSJPKTCQC-INIZCTEOSA-N 0 2 403.435 3.577 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H]3CCO[C@H](c4ccccc4)C3)s[nH]2)c1 ZINC000462728053 985674363 /nfs/dbraw/zinc/67/43/63/985674363.db2.gz QZSZFHYCCMGSJN-AEFFLSMTSA-N 0 2 410.499 3.677 20 0 HHADLN OC[C@@H](CNc1nc(-c2ccccc2)ns1)Cc1cccc(OC(F)(F)F)c1 ZINC000462939110 985877821 /nfs/dbraw/zinc/87/78/21/985877821.db2.gz DZVGJPANOSEYEH-CQSZACIVSA-N 0 2 409.433 3.789 20 0 HHADLN CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)Nc1cc(Cl)c(O)c(Cl)c1)C2=O ZINC000463103978 986065138 /nfs/dbraw/zinc/06/51/38/986065138.db2.gz CBGSNACAJLGTQF-SFHVURJKSA-N 0 2 414.289 3.528 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cc(F)c(OC(C)C)c(F)c1 ZINC000468373822 986073109 /nfs/dbraw/zinc/07/31/09/986073109.db2.gz RASCORMMVMCYHY-UHFFFAOYSA-N 0 2 419.421 3.717 20 0 HHADLN Cc1nn(C)c2nc(C)cc(C(=O)Nc3nc(-c4cc(Cl)ccc4Cl)n[nH]3)c12 ZINC000463158858 986130639 /nfs/dbraw/zinc/13/06/39/986130639.db2.gz CJHKOZDHODQOME-UHFFFAOYSA-N 0 2 416.272 3.929 20 0 HHADLN C[S@](=O)Cc1cccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)c1 ZINC000463159815 986131375 /nfs/dbraw/zinc/13/13/75/986131375.db2.gz CJALBFIHENKCRZ-SANMLTNESA-N 0 2 409.298 3.909 20 0 HHADLN O=C(CNC(=O)c1cccc(Cl)c1)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463159950 986131497 /nfs/dbraw/zinc/13/14/97/986131497.db2.gz HGDLGSYCDMDIEH-UHFFFAOYSA-N 0 2 424.675 3.800 20 0 HHADLN CCCC(=O)N1CCCC[C@H]1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463166339 986138755 /nfs/dbraw/zinc/13/87/55/986138755.db2.gz YVLIWMHNLFSXMA-AWEZNQCLSA-N 0 2 410.305 3.898 20 0 HHADLN COc1ccc(Oc2ccc(S(=O)(=O)Nc3nnc(-c4ccco4)o3)cc2)cc1 ZINC000444056776 986257164 /nfs/dbraw/zinc/25/71/64/986257164.db2.gz LHSYTXARLPUSOZ-UHFFFAOYSA-N 0 2 413.411 3.931 20 0 HHADLN COC(=O)[C@H](NS(=O)(=O)c1ccccc1SC)c1ccc(Cl)cc1Cl ZINC000444211174 986393121 /nfs/dbraw/zinc/39/31/21/986393121.db2.gz JIKQDTNYNUIQOC-OAHLLOKOSA-N 0 2 420.339 3.908 20 0 HHADLN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)n1 ZINC000468699134 986411867 /nfs/dbraw/zinc/41/18/67/986411867.db2.gz SDEDTLHJPWVNAS-MRXNPFEDSA-N 0 2 424.476 3.671 20 0 HHADLN COc1cccc(C2=CCN(C(=O)C3=NN(c4ccc(F)cc4C)CC3=O)CC2)c1 ZINC000468699343 986412660 /nfs/dbraw/zinc/41/26/60/986412660.db2.gz UGSXWKGSXKHBTF-UHFFFAOYSA-N 0 2 407.445 3.964 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)=N1 ZINC000468703974 986416844 /nfs/dbraw/zinc/41/68/44/986416844.db2.gz YMUFMVQIIOYASB-IBGZPJMESA-N 0 2 415.852 3.893 20 0 HHADLN CCO[C@@H](C)c1nc(CN(C)C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)cs1 ZINC000468743580 986457028 /nfs/dbraw/zinc/45/70/28/986457028.db2.gz MGSFRIJHOZNAME-ZDUSSCGKSA-N 0 2 418.494 3.852 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)=N1 ZINC000468745367 986458747 /nfs/dbraw/zinc/45/87/47/986458747.db2.gz VFTJWOPHOPMTAO-CYBMUJFWSA-N 0 2 413.453 3.947 20 0 HHADLN CCCC1(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)CCC1 ZINC000468753390 986467893 /nfs/dbraw/zinc/46/78/93/986467893.db2.gz AFGHJNZAXMCNEL-UHFFFAOYSA-N 0 2 402.520 3.803 20 0 HHADLN COC(=O)CCCOc1ccc(NS(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000463532551 986509207 /nfs/dbraw/zinc/50/92/07/986509207.db2.gz NTBSUDNGZCDWPM-UHFFFAOYSA-N 0 2 401.843 3.612 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2nnc(-c3cc4ccccc4o3)s2)c1 ZINC000468891352 986597381 /nfs/dbraw/zinc/59/73/81/986597381.db2.gz IWJDKNOVQVFENP-UHFFFAOYSA-N 0 2 417.468 3.769 20 0 HHADLN COc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000444458078 986640837 /nfs/dbraw/zinc/64/08/37/986640837.db2.gz KULIBJLJXCJVME-UHFFFAOYSA-N 0 2 403.485 3.513 20 0 HHADLN COC(=O)[C@H](NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)c1ccsc1 ZINC000469007799 986713387 /nfs/dbraw/zinc/71/33/87/986713387.db2.gz RPVZGGOJYZMNRS-LLVKDONJSA-N 0 2 414.719 3.901 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)[C@@H]3C[C@@H]3c3cc(F)c(F)c(F)c3)s[nH]2)c1 ZINC000463730005 986716499 /nfs/dbraw/zinc/71/64/99/986716499.db2.gz QJMGLBBSTISJFP-CHWSQXEVSA-N 0 2 405.401 3.795 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1nc2c(s1)CCCCCC2 ZINC000469041859 986752098 /nfs/dbraw/zinc/75/20/98/986752098.db2.gz SECCNWQATJBNLQ-UHFFFAOYSA-N 0 2 414.524 3.767 20 0 HHADLN COc1ccc(O)c(NS(=O)(=O)c2cc(Cl)c(OC)cc2Br)c1 ZINC000469109548 986826292 /nfs/dbraw/zinc/82/62/92/986826292.db2.gz BMEINYSJNDWZBC-UHFFFAOYSA-N 0 2 422.684 3.626 20 0 HHADLN COc1ccccc1-c1n[nH]c(NC(=O)c2c[nH]nc2-c2cc3ccccc3o2)n1 ZINC000444647630 986831445 /nfs/dbraw/zinc/83/14/45/986831445.db2.gz LGNHVLSHLZHEQO-UHFFFAOYSA-N 0 2 400.398 3.869 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nc(C2CC2)cs1 ZINC000469149648 986872686 /nfs/dbraw/zinc/87/26/86/986872686.db2.gz ZWYCIHHLPWVOIX-SNVBAGLBSA-N 0 2 402.925 3.888 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C[C@H]3CC[C@@H](C)C3)cc2)nc(C)n1 ZINC000469176739 986901440 /nfs/dbraw/zinc/90/14/40/986901440.db2.gz KYKQMESAONQRFU-CJNGLKHVSA-N 0 2 402.520 3.659 20 0 HHADLN CN(CC[NH+]1CCOC(C)(C)C1)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000469245946 986965127 /nfs/dbraw/zinc/96/51/27/986965127.db2.gz TUYZYQOQLPEGCN-UHFFFAOYSA-N 0 2 409.574 3.501 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000469263726 986983279 /nfs/dbraw/zinc/98/32/79/986983279.db2.gz XPNDYNLWVXVNJI-UHFFFAOYSA-N 0 2 401.469 3.899 20 0 HHADLN COCCC[C@@H](Cc1ccccc1)NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000469928442 987555548 /nfs/dbraw/zinc/55/55/48/987555548.db2.gz LQKKGRBZUSRILY-INIZCTEOSA-N 0 2 402.545 3.848 20 0 HHADLN Cc1sc(Br)cc1S(=O)(=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000470445957 988422638 /nfs/dbraw/zinc/42/26/38/988422638.db2.gz ONNDDGNEPLAKNZ-LLVKDONJSA-N 0 2 418.334 3.788 20 0 HHADLN CCOC(=O)c1c(NS(=O)(=O)c2cccc(Cl)c2C)cc(OC)cc1OC ZINC000470448732 988427755 /nfs/dbraw/zinc/42/77/55/988427755.db2.gz UPASKNAYOOFHAH-UHFFFAOYSA-N 0 2 413.879 3.643 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc(-c2nc(C)co2)ccc1C ZINC000470457647 988440904 /nfs/dbraw/zinc/44/09/04/988440904.db2.gz HPJNXDJTUSUUNV-UHFFFAOYSA-N 0 2 404.419 3.685 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)c(C)s1 ZINC000464531043 988709680 /nfs/dbraw/zinc/70/96/80/988709680.db2.gz WHEJVMYMEMSCKG-UHFFFAOYSA-N 0 2 417.512 3.578 20 0 HHADLN Cc1c2nc(NS(=O)(=O)c3cnn(Cc4ccccc4)c3)sc2ccc1F ZINC000464893685 989163113 /nfs/dbraw/zinc/16/31/13/989163113.db2.gz MPTCQKZAYYISNX-UHFFFAOYSA-N 0 2 402.476 3.789 20 0 HHADLN Cc1c2nc(NS(=O)(=O)c3ccc(N4CCCC4=O)cc3)sc2ccc1F ZINC000464911333 989187734 /nfs/dbraw/zinc/18/77/34/989187734.db2.gz RADIBPJXPFRJQI-UHFFFAOYSA-N 0 2 405.476 3.671 20 0 HHADLN CC(=O)Nc1cc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)cc(C(F)(F)F)c1 ZINC000471278962 989431232 /nfs/dbraw/zinc/43/12/32/989431232.db2.gz WACAUDNPDDYHHS-UHFFFAOYSA-N 0 2 412.418 3.918 20 0 HHADLN CCCOc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(OC)c3)s2)cc1 ZINC000471509876 989708997 /nfs/dbraw/zinc/70/89/97/989708997.db2.gz CWFSJHAJVVSIKN-UHFFFAOYSA-N 0 2 419.528 3.727 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccco2)s1)c1ccc(F)c(Br)c1 ZINC000471513306 989711905 /nfs/dbraw/zinc/71/19/05/989711905.db2.gz UKTWKYIUSPSJDM-UHFFFAOYSA-N 0 2 404.242 3.501 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(Cc3ccc(C)cc3)s2)cc1OC ZINC000471519077 989718425 /nfs/dbraw/zinc/71/84/25/989718425.db2.gz XOPUZMMLQATDQG-UHFFFAOYSA-N 0 2 419.528 3.564 20 0 HHADLN Cc1ccc(Cc2nnc(NS(=O)(=O)c3cnc4ccsc4c3)s2)cc1 ZINC000471522759 989722394 /nfs/dbraw/zinc/72/23/94/989722394.db2.gz OZZGEXGXJXRVFN-UHFFFAOYSA-N 0 2 402.526 3.848 20 0 HHADLN CC(C)(C)n1cc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)cn1 ZINC000471596416 989799745 /nfs/dbraw/zinc/79/97/45/989799745.db2.gz XOYRQWYOJZMBOJ-UHFFFAOYSA-N 0 2 410.696 3.994 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccc4nc(C(F)(F)F)cn4c3)s[nH]2)c1 ZINC000471851781 990025217 /nfs/dbraw/zinc/02/52/17/990025217.db2.gz RRJJCGBENVIMJS-UHFFFAOYSA-N 0 2 419.388 3.554 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000471895899 990067495 /nfs/dbraw/zinc/06/74/95/990067495.db2.gz AXUPOFJZCFMOPW-UHFFFAOYSA-N 0 2 404.879 3.610 20 0 HHADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2c(C)ccc3cccnc32)n1 ZINC000471908070 990076526 /nfs/dbraw/zinc/07/65/26/990076526.db2.gz QRLOIMHMFIJNNC-UHFFFAOYSA-N 0 2 402.526 3.654 20 0 HHADLN Cc1cc(Br)ccc1S(=O)(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000471910075 990077629 /nfs/dbraw/zinc/07/76/29/990077629.db2.gz JWSQKSHCKJAGAP-UHFFFAOYSA-N 0 2 406.305 3.803 20 0 HHADLN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)c1 ZINC000471926759 990093429 /nfs/dbraw/zinc/09/34/29/990093429.db2.gz HKQVCLGSYMDEDE-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN O=C(NC1CCCC1)c1ccc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)cc1 ZINC000471936782 990101400 /nfs/dbraw/zinc/10/14/00/990101400.db2.gz LOXXZJZJPDPSQJ-UHFFFAOYSA-N 0 2 401.463 3.780 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(-c2ccncc2)ccc1C ZINC000466260370 991505284 /nfs/dbraw/zinc/50/52/84/991505284.db2.gz OVZKUPNPDFWWEX-UHFFFAOYSA-N 0 2 400.431 3.784 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccccc1N1CCCCCC1 ZINC000466357700 991625467 /nfs/dbraw/zinc/62/54/67/991625467.db2.gz XQOSTPFYDHIXIV-UHFFFAOYSA-N 0 2 406.479 3.794 20 0 HHADLN CCc1c(NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)cnn1-c1ccccc1 ZINC000466478623 991770510 /nfs/dbraw/zinc/77/05/10/991770510.db2.gz GNEWCCHNADXRIX-UHFFFAOYSA-N 0 2 419.890 3.676 20 0 HHADLN O=S(=O)(Nc1nc2ccc(Br)cn2n1)c1c(Cl)cccc1Cl ZINC000466957866 992267856 /nfs/dbraw/zinc/26/78/56/992267856.db2.gz NSGJYQJIVLXIMI-UHFFFAOYSA-N 0 2 422.091 3.599 20 0 HHADLN CC(C)(C)OC(=O)Cc1ccccc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000467076755 992382545 /nfs/dbraw/zinc/38/25/45/992382545.db2.gz XTRROMDZAJQOIG-UHFFFAOYSA-N 0 2 413.499 3.557 20 0 HHADLN CCOCCOCc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1C ZINC000467078263 992384808 /nfs/dbraw/zinc/38/48/08/992384808.db2.gz GQLMELKOJVNGQN-UHFFFAOYSA-N 0 2 403.422 3.766 20 0 HHADLN CC(C)(C)c1nc2ccc(NS(=O)(=O)c3cccc(C(=O)NC4CC4)c3)cc2[nH]1 ZINC000467415425 992718139 /nfs/dbraw/zinc/71/81/39/992718139.db2.gz BIZNQIRKZWNLQG-UHFFFAOYSA-N 0 2 412.515 3.553 20 0 HHADLN Cc1nc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)ccc1Br ZINC000467435830 992733844 /nfs/dbraw/zinc/73/38/44/992733844.db2.gz UWKFRTQZHSKMMY-UHFFFAOYSA-N 0 2 418.272 3.672 20 0 HHADLN CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000467756513 993000780 /nfs/dbraw/zinc/00/07/80/993000780.db2.gz VIHRNERTJIHESV-RHSMWYFYSA-N 0 2 423.560 3.868 20 0 HHADLN CN1CC[C@@H](NC(=O)N=c2nc(C(C)(C)C)[nH]s2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000472304380 993317073 /nfs/dbraw/zinc/31/70/73/993317073.db2.gz IDJQABJELXKLOG-KGLIPLIRSA-N 0 2 411.934 3.617 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCc3ccc(CSC)cc3)s[nH]2)c1 ZINC000480740578 993607864 /nfs/dbraw/zinc/60/78/64/993607864.db2.gz ZPEZNBJZFXAXQJ-UHFFFAOYSA-N 0 2 400.529 3.820 20 0 HHADLN O=S(=O)(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1ccc(C(F)(F)F)cc1 ZINC000481040231 993885446 /nfs/dbraw/zinc/88/54/46/993885446.db2.gz RAYFTFXAOBEHDI-UHFFFAOYSA-N 0 2 416.812 3.799 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@H](C)c2noc(-c3ccccc3)n2)=N1 ZINC000473061609 993982516 /nfs/dbraw/zinc/98/25/16/993982516.db2.gz ZXTZLCJQKLAQFQ-CYBMUJFWSA-N 0 2 407.405 3.566 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC[C@]4(C3)OCc3ccccc34)s[nH]2)c1 ZINC000481158277 993991107 /nfs/dbraw/zinc/99/11/07/993991107.db2.gz QNFBIISYOBLDHQ-JOCHJYFZSA-N 0 2 422.510 3.689 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCCCc2ccccc2F)c(F)c1Cl ZINC000481261839 994082336 /nfs/dbraw/zinc/08/23/36/994082336.db2.gz TXIQYFZVUAPSGY-UHFFFAOYSA-N 0 2 420.840 3.627 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)c(OC)c1OC ZINC000473477332 994321889 /nfs/dbraw/zinc/32/18/89/994321889.db2.gz GDGUFYWWMBWEKH-UHFFFAOYSA-N 0 2 410.250 3.959 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cccc(C(=O)c3ccccc3)c2)cnn1-c1ccccn1 ZINC000481588750 994433462 /nfs/dbraw/zinc/43/34/62/994433462.db2.gz WOQKHYLEEXZAHQ-UHFFFAOYSA-N 0 2 418.478 3.608 20 0 HHADLN Cc1cc(C)n(-c2cccc(NC(=O)NCc3nnc(COc4ccccc4)[nH]3)c2)n1 ZINC000473661116 994548419 /nfs/dbraw/zinc/54/84/19/994548419.db2.gz OLXBOGLSLKDFOB-UHFFFAOYSA-N 0 2 417.473 3.508 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccccc1CC(F)(F)F ZINC000473692278 994582807 /nfs/dbraw/zinc/58/28/07/994582807.db2.gz PCIAJVGISIJREM-UHFFFAOYSA-N 0 2 405.380 3.810 20 0 HHADLN Cc1nc(CC(C)C)c(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)s1 ZINC000473727393 994622434 /nfs/dbraw/zinc/62/24/34/994622434.db2.gz WXNCGWUXRUHVLS-UHFFFAOYSA-N 0 2 400.508 3.669 20 0 HHADLN CC[C@H](c1nnc(NS(=O)(=O)c2cc3c(cc2C)OCO3)s1)c1ccccc1 ZINC000481818131 994668415 /nfs/dbraw/zinc/66/84/15/994668415.db2.gz SZYJUHHPNZXMGB-AWEZNQCLSA-N 0 2 417.512 3.918 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(-c3cccs3)o2)c2ccccc12 ZINC000481840166 994692891 /nfs/dbraw/zinc/69/28/91/994692891.db2.gz KXKBIQAQPJHRNG-UHFFFAOYSA-N 0 2 414.468 3.711 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(Cl)cc2F)s1)c1ccc2c(c1)CCO2 ZINC000481844251 994698520 /nfs/dbraw/zinc/69/85/20/994698520.db2.gz KDZNUXQTFFBVSO-UHFFFAOYSA-N 0 2 411.867 3.733 20 0 HHADLN Cc1ccc2oc(-c3nnc(NS(=O)(=O)c4cc5c(cc4C)OCO5)o3)cc2c1 ZINC000481843838 994698769 /nfs/dbraw/zinc/69/87/69/994698769.db2.gz RRCBYXIHCFNMNW-UHFFFAOYSA-N 0 2 413.411 3.629 20 0 HHADLN CCOC(=O)c1cc2cc(S(=O)(=O)Nc3noc(C(C)(C)C)n3)ccc2s1 ZINC000481850018 994706757 /nfs/dbraw/zinc/70/67/57/994706757.db2.gz UMLBSFJXWGXKDO-UHFFFAOYSA-N 0 2 409.489 3.559 20 0 HHADLN COC(=O)c1cccc(CS(=O)(=O)Nc2cc(-c3ccc4ncccc4c3)on2)c1 ZINC000481858770 994716235 /nfs/dbraw/zinc/71/62/35/994716235.db2.gz KGOKYIQWJUYKNZ-UHFFFAOYSA-N 0 2 423.450 3.618 20 0 HHADLN C[C@H]1CN(c2ccc(NS(=O)(=O)c3cc(Cl)sc3Cl)cn2)C[C@H](C)O1 ZINC000481866381 994726870 /nfs/dbraw/zinc/72/68/70/994726870.db2.gz XQZDYEQAXJAHSN-UWVGGRQHSA-N 0 2 422.359 3.864 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2)o1)c1ccc(C(F)(F)F)cc1F ZINC000481873394 994737895 /nfs/dbraw/zinc/73/78/95/994737895.db2.gz VZNTWPUIYQKBDX-UHFFFAOYSA-N 0 2 401.341 3.619 20 0 HHADLN C[C@@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccccc1OC(F)F ZINC000473882692 994830428 /nfs/dbraw/zinc/83/04/28/994830428.db2.gz FVEMBYJHBUVSQH-CYBMUJFWSA-N 0 2 417.416 3.546 20 0 HHADLN CC(C)Oc1cccc([C@H](C)NC(=O)NCc2nnc(COc3ccccc3)[nH]2)c1 ZINC000473897804 994854661 /nfs/dbraw/zinc/85/46/61/994854661.db2.gz XHAFGIGPVFVFLB-INIZCTEOSA-N 0 2 409.490 3.731 20 0 HHADLN Cc1c2ccccc2oc1[C@H](C)NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000473904916 994865566 /nfs/dbraw/zinc/86/55/66/994865566.db2.gz KWTRAXCVHYIRGZ-HNNXBMFYSA-N 0 2 405.458 3.999 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)c2ccccc12 ZINC000481983004 994880550 /nfs/dbraw/zinc/88/05/50/994880550.db2.gz JECVAONWGCQIBY-UHFFFAOYSA-N 0 2 406.467 3.785 20 0 HHADLN C[C@@H](NC(=O)NCc1nnc(COc2ccccc2)[nH]1)c1c(F)cccc1Cl ZINC000474031962 995022234 /nfs/dbraw/zinc/02/22/34/995022234.db2.gz JJIIHYBOCWWMGI-GFCCVEGCSA-N 0 2 403.845 3.737 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000474038224 995028687 /nfs/dbraw/zinc/02/86/87/995028687.db2.gz RMNKAHGUNBYJAX-HIFRSBDPSA-N 0 2 411.428 3.552 20 0 HHADLN COc1ccccc1[C@@H](CC(C)C)NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474046589 995037074 /nfs/dbraw/zinc/03/70/74/995037074.db2.gz RTZHCFDSATVPAK-LJQANCHMSA-N 0 2 423.517 3.979 20 0 HHADLN CC(C)CN(CCc1ccccc1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474085701 995068734 /nfs/dbraw/zinc/06/87/34/995068734.db2.gz YEIQEVZRKQLCHU-UHFFFAOYSA-N 0 2 407.518 3.794 20 0 HHADLN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)NCc2nnc(COc3ccccc3)[nH]2)c1 ZINC000474086250 995069250 /nfs/dbraw/zinc/06/92/50/995069250.db2.gz CFWSQNFRFUWDTC-UZLBHIALSA-N 0 2 421.501 3.685 20 0 HHADLN CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2nnc(COc3ccccc3)[nH]2)s1 ZINC000474087707 995069858 /nfs/dbraw/zinc/06/98/58/995069858.db2.gz HJPCBIUMYXWDMJ-AWEZNQCLSA-N 0 2 414.535 3.614 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000474087472 995070045 /nfs/dbraw/zinc/07/00/45/995070045.db2.gz DYZIOHOWIADODB-IBGZPJMESA-N 0 2 409.465 3.960 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCCC[C@H]1Cc1ccccc1 ZINC000474096602 995077866 /nfs/dbraw/zinc/07/78/66/995077866.db2.gz PMETYVYPZPROMT-IBGZPJMESA-N 0 2 405.502 3.691 20 0 HHADLN CC(C)(C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(F)cc1 ZINC000482307170 995285693 /nfs/dbraw/zinc/28/56/93/995285693.db2.gz ZTYNCBUPLNGPEE-UHFFFAOYSA-N 0 2 419.503 3.999 20 0 HHADLN C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474571339 995533033 /nfs/dbraw/zinc/53/30/33/995533033.db2.gz AZDPHCKJPZYRGB-AWEZNQCLSA-N 0 2 412.877 3.562 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)C1(c2ccc(F)cc2F)CCCC1 ZINC000474571284 995533214 /nfs/dbraw/zinc/53/32/14/995533214.db2.gz AFJJPFLZSVHXNI-UHFFFAOYSA-N 0 2 412.440 3.790 20 0 HHADLN O=C(CCc1cccc(C(F)(F)F)c1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474573728 995535538 /nfs/dbraw/zinc/53/55/38/995535538.db2.gz GHBIKWRBNSVTLG-UHFFFAOYSA-N 0 2 404.392 3.652 20 0 HHADLN O=C(CSc1ccc2ccccc2c1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474576822 995537762 /nfs/dbraw/zinc/53/77/62/995537762.db2.gz HYJXBDXJQKCSDB-UHFFFAOYSA-N 0 2 404.495 3.945 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccc(OCc2ccccc2)cc1 ZINC000474578900 995539305 /nfs/dbraw/zinc/53/93/05/995539305.db2.gz QODKWEYOBJYHKR-UHFFFAOYSA-N 0 2 414.465 3.893 20 0 HHADLN C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474586951 995545764 /nfs/dbraw/zinc/54/57/64/995545764.db2.gz ZORNJNUZOISHLL-GFCCVEGCSA-N 0 2 421.284 3.774 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000474592014 995550975 /nfs/dbraw/zinc/55/09/75/995550975.db2.gz DMHKCLRVWYDGEI-DLBZAZTESA-N 0 2 416.403 3.822 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000474592017 995551121 /nfs/dbraw/zinc/55/11/21/995551121.db2.gz DMHKCLRVWYDGEI-SJORKVTESA-N 0 2 416.403 3.822 20 0 HHADLN CC[C@H](C)n1ncc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1C ZINC000482798986 995756202 /nfs/dbraw/zinc/75/62/02/995756202.db2.gz LLJXCINPRYDTKK-LBPRGKRZSA-N 0 2 419.532 3.672 20 0 HHADLN CC(=O)[C@@H]1C[C@H](CC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)C1(C)C ZINC000483062687 995948828 /nfs/dbraw/zinc/94/88/28/995948828.db2.gz JMCJXCCETDAYTP-MFKMUULPSA-N 0 2 423.286 3.953 20 0 HHADLN O=S(=O)(Cc1cccc(NS(=O)(=O)c2ccccc2F)c1)C1CCCCC1 ZINC000483164120 996012376 /nfs/dbraw/zinc/01/23/76/996012376.db2.gz CKNJHDJDMBALPY-UHFFFAOYSA-N 0 2 411.520 3.874 20 0 HHADLN CCCN(C(=O)NCc1nnc(COc2ccccc2)[nH]1)[C@H]1CCCc2cccnc21 ZINC000483296390 996085752 /nfs/dbraw/zinc/08/57/52/996085752.db2.gz NEXZYVRVXAATSS-IBGZPJMESA-N 0 2 420.517 3.778 20 0 HHADLN Cc1cccc2c(=O)c(C(=O)N3CC[C@H](Oc4ccc(C(F)(F)F)cn4)C3)c[nH]c12 ZINC000483308438 996090529 /nfs/dbraw/zinc/09/05/29/996090529.db2.gz QAIVXFXQZKXKNZ-AWEZNQCLSA-N 0 2 417.387 3.544 20 0 HHADLN COCCOc1cccc(CCC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c1 ZINC000475511664 996192570 /nfs/dbraw/zinc/19/25/70/996192570.db2.gz WFHSUGWMWYWBRG-UHFFFAOYSA-N 0 2 417.918 3.877 20 0 HHADLN Cc1cccc2c(=O)c(C(=O)N3CCO[C@H](c4ccc(F)cc4Cl)C3)c[nH]c12 ZINC000483521892 996230829 /nfs/dbraw/zinc/23/08/29/996230829.db2.gz ZNUGVXHWBAJPTI-SFHVURJKSA-N 0 2 400.837 3.843 20 0 HHADLN Cc1nnc(-c2cc(F)ccc2NS(=O)(=O)c2ccccc2Br)o1 ZINC000475837470 996405861 /nfs/dbraw/zinc/40/58/61/996405861.db2.gz WRTMEMQOAQBVIH-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cc(-c2cccnc2)ccc1C ZINC000475840039 996408477 /nfs/dbraw/zinc/40/84/77/996408477.db2.gz WYBLLWLBAUJNOU-UHFFFAOYSA-N 0 2 400.456 3.800 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1cccnc1OCc1ccccc1F ZINC000483833642 996416009 /nfs/dbraw/zinc/41/60/09/996416009.db2.gz JJQXBXOKPQVFRG-UHFFFAOYSA-N 0 2 406.442 3.992 20 0 HHADLN Cc1cccn2cc(COc3ccccc3C(=O)Nc3nc(-c4ccco4)n[nH]3)nc12 ZINC000484103592 996572479 /nfs/dbraw/zinc/57/24/79/996572479.db2.gz IWJWKZSBSXGJCY-UHFFFAOYSA-N 0 2 414.425 3.852 20 0 HHADLN Cn1nccc1CCC(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000476122358 996614314 /nfs/dbraw/zinc/61/43/14/996614314.db2.gz KEDJDYRMOTZMMD-UHFFFAOYSA-N 0 2 405.483 3.724 20 0 HHADLN COc1cc(Br)c(S(=O)(=O)Nc2cccc(OC)c2O)cc1Cl ZINC000484171651 996615185 /nfs/dbraw/zinc/61/51/85/996615185.db2.gz KEBYEUILYGJVCY-UHFFFAOYSA-N 0 2 422.684 3.626 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(F)cc(Br)c3)s[nH]2)c1 ZINC000476294510 996736717 /nfs/dbraw/zinc/73/67/17/996736717.db2.gz QZEFEZRJYYIXSR-UHFFFAOYSA-N 0 2 408.252 3.790 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)c1 ZINC000476378450 996818637 /nfs/dbraw/zinc/81/86/37/996818637.db2.gz NVGVZFPDMPKMCK-UHFFFAOYSA-N 0 2 419.434 3.571 20 0 HHADLN Cc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cnc(-c2cccc(O)c2)nc1 ZINC000476382692 996825944 /nfs/dbraw/zinc/82/59/44/996825944.db2.gz XUVFDZIVQPNAQI-UHFFFAOYSA-N 0 2 409.389 3.977 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000484567095 996900195 /nfs/dbraw/zinc/90/01/95/996900195.db2.gz GROMYOALGOIXNI-MRXNPFEDSA-N 0 2 411.907 3.845 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(COC2CCCC2)cc1 ZINC000484616391 996948957 /nfs/dbraw/zinc/94/89/57/996948957.db2.gz HHMKWDMMAJNAFE-UHFFFAOYSA-N 0 2 407.488 3.889 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000484696348 997035879 /nfs/dbraw/zinc/03/58/79/997035879.db2.gz YRHLUWGMRZWDND-UHFFFAOYSA-N 0 2 422.304 3.582 20 0 HHADLN CC[C@H](c1ccncc1)N(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476547166 997039919 /nfs/dbraw/zinc/03/99/19/997039919.db2.gz MNWSJFMOPKROJD-QGZVFWFLSA-N 0 2 416.528 3.562 20 0 HHADLN O=C(N[C@@H](c1cccs1)C1CC1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476731327 997281769 /nfs/dbraw/zinc/28/17/69/997281769.db2.gz UUINHOBXHSPLQI-MRXNPFEDSA-N 0 2 419.553 3.887 20 0 HHADLN CO[C@H](C)c1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000476731842 997282824 /nfs/dbraw/zinc/28/28/24/997282824.db2.gz WPTHJSUDLZVDCR-CYBMUJFWSA-N 0 2 417.512 3.904 20 0 HHADLN C[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1c(F)cccc1F ZINC000476745175 997297899 /nfs/dbraw/zinc/29/78/99/997297899.db2.gz LOGQJNHALWJGDM-NSHDSACASA-N 0 2 423.466 3.713 20 0 HHADLN O=C(Nc1ccc2ncsc2c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476775047 997332343 /nfs/dbraw/zinc/33/23/43/997332343.db2.gz XDLOBLKOMFSZET-UHFFFAOYSA-N 0 2 416.509 3.806 20 0 HHADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000476909946 997516380 /nfs/dbraw/zinc/51/63/80/997516380.db2.gz DEMPRGQILSOFIJ-UHFFFAOYSA-N 0 2 417.350 3.902 20 0 HHADLN COc1cc(S(=O)(=O)Nc2nc3ccsc3s2)ccc1Br ZINC000476911090 997518481 /nfs/dbraw/zinc/51/84/81/997518481.db2.gz UPMCGXXABFHVOB-UHFFFAOYSA-N 0 2 405.320 3.930 20 0 HHADLN O=S(=O)(Nc1nc(Cc2ccccc2)cs1)c1cncc(Br)c1 ZINC000476913908 997522606 /nfs/dbraw/zinc/52/26/06/997522606.db2.gz KYCONUUOVGKRDG-UHFFFAOYSA-N 0 2 410.318 3.692 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2nc3c(s2)C[C@H](C)CC3)c1 ZINC000476915736 997524331 /nfs/dbraw/zinc/52/43/31/997524331.db2.gz PIAOWCWPPLZRSN-SECBINFHSA-N 0 2 417.350 3.840 20 0 HHADLN COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)c1 ZINC000476927654 997541046 /nfs/dbraw/zinc/54/10/46/997541046.db2.gz RSOCZNGGWNYHKX-UHFFFAOYSA-N 0 2 412.439 3.779 20 0 HHADLN CN(Cc1ccccc1F)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485361073 997785504 /nfs/dbraw/zinc/78/55/04/997785504.db2.gz JXCVOCJYGUKWSS-UHFFFAOYSA-N 0 2 420.491 3.747 20 0 HHADLN C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)[C@H](C)C1 ZINC000485383129 997810212 /nfs/dbraw/zinc/81/02/12/997810212.db2.gz MDHKMNPJKCWQOD-XJKCOSOUSA-N 0 2 408.549 3.890 20 0 HHADLN COc1cc2c(cc1NS(=O)(=O)c1ccc(Cl)cc1Cl)NC(=O)CC2 ZINC000485396896 997825119 /nfs/dbraw/zinc/82/51/19/997825119.db2.gz ZZYQDKMGQUVBMJ-UHFFFAOYSA-N 0 2 401.271 3.688 20 0 HHADLN COC(=O)c1c(F)cccc1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000485402337 997834051 /nfs/dbraw/zinc/83/40/51/997834051.db2.gz IDVGRDAKFWFFTL-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN COc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485404077 997835206 /nfs/dbraw/zinc/83/52/06/997835206.db2.gz XJOBMXLLNYZRRP-UHFFFAOYSA-N 0 2 403.287 3.505 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cc(F)c(F)c(F)c1 ZINC000485485538 997938003 /nfs/dbraw/zinc/93/80/03/997938003.db2.gz CRBXHYMMQVBQAE-UHFFFAOYSA-N 0 2 413.402 3.614 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cc(Cl)ccc1F ZINC000485488479 997940851 /nfs/dbraw/zinc/94/08/51/997940851.db2.gz KFWBVKRINZNTRS-UHFFFAOYSA-N 0 2 411.867 3.989 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccc(-n2cccc2)cc1 ZINC000485489264 997941815 /nfs/dbraw/zinc/94/18/15/997941815.db2.gz JJPALRDRZOSFGB-UHFFFAOYSA-N 0 2 424.507 3.987 20 0 HHADLN Cn1nc(C2CCCCC2)cc1NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000477377850 998064998 /nfs/dbraw/zinc/06/49/98/998064998.db2.gz HADFIIGPYBZLSI-UHFFFAOYSA-N 0 2 402.520 3.543 20 0 HHADLN COC(=O)c1c(C)c(NS(=O)(=O)c2cc(C)ccc2F)ccc1Br ZINC000486064528 998512148 /nfs/dbraw/zinc/51/21/48/998512148.db2.gz CBOIEPIQXBMXAY-UHFFFAOYSA-N 0 2 416.268 3.792 20 0 HHADLN CC(=O)N1CCc2cc(S(=O)(=O)Nc3cnn(CCC(C)C)c3C(C)C)ccc21 ZINC000486071584 998518552 /nfs/dbraw/zinc/51/85/52/998518552.db2.gz TWMBMPQTCGWKHH-UHFFFAOYSA-N 0 2 418.563 3.762 20 0 HHADLN CC(C)CCn1ncc(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c1C(C)C ZINC000486080708 998527461 /nfs/dbraw/zinc/52/74/61/998527461.db2.gz LGPAXFAGGOESQN-UHFFFAOYSA-N 0 2 418.563 3.746 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cnn(-c2ccccc2)c1C(C)C ZINC000486094238 998541887 /nfs/dbraw/zinc/54/18/87/998541887.db2.gz VDLPWRBIUBSDMM-UHFFFAOYSA-N 0 2 417.487 3.793 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cnn(CCC(C)C)c3C(C)C)cnc2c1Cl ZINC000486097896 998546442 /nfs/dbraw/zinc/54/64/42/998546442.db2.gz SMPFNEIMOODTRP-UHFFFAOYSA-N 0 2 424.958 3.858 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cnn(CCC(C)C)c1C(C)C ZINC000486106481 998553808 /nfs/dbraw/zinc/55/38/08/998553808.db2.gz FNRHBPGDTDJWRY-UHFFFAOYSA-N 0 2 411.524 3.850 20 0 HHADLN COC(=O)c1c(C)c(NS(=O)(=O)c2cccc(C)c2F)ccc1Br ZINC000486111735 998559204 /nfs/dbraw/zinc/55/92/04/998559204.db2.gz WRANESFETVZUIN-UHFFFAOYSA-N 0 2 416.268 3.792 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(Br)cc2C)n(-c2cc(C)ccn2)n1 ZINC000486562883 998827588 /nfs/dbraw/zinc/82/75/88/998827588.db2.gz RESQZLUUJRLNDL-UHFFFAOYSA-N 0 2 421.320 3.756 20 0 HHADLN CN(C)c1cccc(S(=O)(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)c1 ZINC000486573001 998834693 /nfs/dbraw/zinc/83/46/93/998834693.db2.gz GOPNUUMALRVGDA-UHFFFAOYSA-N 0 2 424.448 3.973 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3ccccc3NCc3cccnc3)s[nH]2)c1 ZINC000478294259 998870257 /nfs/dbraw/zinc/87/02/57/998870257.db2.gz NWLXNVSISRFHFV-UHFFFAOYSA-N 0 2 417.494 3.895 20 0 HHADLN CCc1nnnn1-c1ccccc1NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000486760072 998927817 /nfs/dbraw/zinc/92/78/17/998927817.db2.gz PNNPKPPOYQEIJQ-UHFFFAOYSA-N 0 2 413.890 3.832 20 0 HHADLN O=S(=O)(Nc1nc(-c2cccs2)ns1)c1ccc(OC(F)F)c(Cl)c1 ZINC000486784709 998938863 /nfs/dbraw/zinc/93/88/63/998938863.db2.gz DVXQULGHMPXPSG-UHFFFAOYSA-N 0 2 423.875 3.744 20 0 HHADLN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cn2)c1 ZINC000486793884 998942763 /nfs/dbraw/zinc/94/27/63/998942763.db2.gz HNBLIXMOCKQIAG-UHFFFAOYSA-N 0 2 400.431 3.865 20 0 HHADLN Cc1sc(Br)cc1S(=O)(=O)Nc1nc(-c2cccs2)ns1 ZINC000486889920 998993628 /nfs/dbraw/zinc/99/36/28/998993628.db2.gz ZQBWEDHEDXQWEF-UHFFFAOYSA-N 0 2 422.376 3.622 20 0 HHADLN CN(CC(=O)OC(C)(C)C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 ZINC000486977672 999025538 /nfs/dbraw/zinc/02/55/38/999025538.db2.gz PZMZTJANEDNLIV-UHFFFAOYSA-N 0 2 403.479 3.564 20 0 HHADLN O=C(CCSc1cccc(Cl)c1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000487191785 999092877 /nfs/dbraw/zinc/09/28/77/999092877.db2.gz TXXTWIRJFRCQKR-UHFFFAOYSA-N 0 2 402.907 3.836 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2-c2ccc(C)o2)cn1 ZINC000478701741 999096259 /nfs/dbraw/zinc/09/62/59/999096259.db2.gz JGAXLSXLGGJPKZ-UHFFFAOYSA-N 0 2 406.847 3.891 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3CC34CCCCC4)cc2)nc(C)n1 ZINC000478750431 999121857 /nfs/dbraw/zinc/12/18/57/999121857.db2.gz ZBMZHUFUQOBRJY-SFHVURJKSA-N 0 2 414.531 3.803 20 0 HHADLN COc1ccc(-c2cc3[nH]c(-c4cnc(NCC(F)F)cn4)nc(=O)c3s2)cc1 ZINC000487487288 999195435 /nfs/dbraw/zinc/19/54/35/999195435.db2.gz RNWXUVUMECAEEK-UHFFFAOYSA-N 0 2 415.425 3.794 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ncc(Cc2ccccc2F)s1 ZINC000479054130 999269921 /nfs/dbraw/zinc/26/99/21/999269921.db2.gz DCDQPQOFZWBCQL-UHFFFAOYSA-N 0 2 408.476 3.691 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000479058790 999272708 /nfs/dbraw/zinc/27/27/08/999272708.db2.gz KCJCWZSCMOXGJN-UHFFFAOYSA-N 0 2 408.476 3.691 20 0 HHADLN C[C@H]1CCCN(Cc2csc(NS(=O)(=O)c3ccc4ncsc4c3)n2)C1 ZINC000479075456 999282265 /nfs/dbraw/zinc/28/22/65/999282265.db2.gz DSOYOUIOEWTAHB-LBPRGKRZSA-N 0 2 408.574 3.786 20 0 HHADLN CC(C)n1nc(-c2ccccc2)cc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000479086680 999287222 /nfs/dbraw/zinc/28/72/22/999287222.db2.gz WNEPUTNPZUTFCC-UHFFFAOYSA-N 0 2 413.425 3.691 20 0 HHADLN CC1(C)Cc2cc(S(=O)(=O)Nc3nnc(/C=C\c4ccco4)s3)ccc2O1 ZINC000479163432 999303983 /nfs/dbraw/zinc/30/39/83/999303983.db2.gz FLOZCNYPAYMAPL-YVMONPNESA-N 0 2 403.485 3.816 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(/C=C\c3ccco3)s2)cc1Cl ZINC000479214814 999329046 /nfs/dbraw/zinc/32/90/46/999329046.db2.gz KRRHQRMWPYEDEW-DAXSKMNVSA-N 0 2 424.891 3.714 20 0 HHADLN Cn1nc(-c2ccncc2)cc1NS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 ZINC000479258257 999351188 /nfs/dbraw/zinc/35/11/88/999351188.db2.gz JCCVAGCZJCBPPT-UHFFFAOYSA-N 0 2 414.821 3.538 20 0 HHADLN Cc1n[nH]c2cc(NS(=O)(=O)c3cc(Cl)ccc3OC[C@H]3CCOC3)ccc12 ZINC000488269919 999418152 /nfs/dbraw/zinc/41/81/52/999418152.db2.gz UZTPDBIYSIAWLH-ZDUSSCGKSA-N 0 2 421.906 3.741 20 0 HHADLN Cc1[nH]nc2cc(NS(=O)(=O)c3cc(Cl)ccc3OC[C@H]3CCOC3)ccc12 ZINC000488269919 999418155 /nfs/dbraw/zinc/41/81/55/999418155.db2.gz UZTPDBIYSIAWLH-ZDUSSCGKSA-N 0 2 421.906 3.741 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(CC(F)(F)F)cc2)c(OC)c1 ZINC000488277639 999420891 /nfs/dbraw/zinc/42/08/91/999420891.db2.gz KQTKHUUEULAWNL-UHFFFAOYSA-N 0 2 405.394 3.618 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2C)c(OC)c1 ZINC000488300099 999429451 /nfs/dbraw/zinc/42/94/51/999429451.db2.gz ROWFRADWEGOCSB-UHFFFAOYSA-N 0 2 405.394 3.840 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000479496609 999444256 /nfs/dbraw/zinc/44/42/56/999444256.db2.gz JYEWRDPDHORKSK-UHFFFAOYSA-N 0 2 406.504 3.798 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(NC(=O)Nc2ccccc2)ccc1C ZINC000479496858 999444419 /nfs/dbraw/zinc/44/44/19/999444419.db2.gz CIWRPODJMGJOEQ-UHFFFAOYSA-N 0 2 413.503 3.790 20 0 HHADLN COCCOc1ccccc1NS(=O)(=O)c1ccccc1C(=O)c1ccccc1 ZINC000479512647 999452888 /nfs/dbraw/zinc/45/28/88/999452888.db2.gz BWUXHQGOMQNVNA-UHFFFAOYSA-N 0 2 411.479 3.744 20 0 HHADLN Cc1cccc(F)c1S(=O)(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 ZINC000479514721 999453867 /nfs/dbraw/zinc/45/38/67/999453867.db2.gz LFCVAVTUBWOCPR-UHFFFAOYSA-N 0 2 412.899 3.868 20 0 HHADLN CCOc1cc2c(cc1NS(=O)(=O)c1ccccc1OC(F)(F)F)OCCO2 ZINC000488360258 999456380 /nfs/dbraw/zinc/45/63/80/999456380.db2.gz AMDNGNOLQOMQGH-UHFFFAOYSA-N 0 2 419.377 3.556 20 0 HHADLN O=S(=O)(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cnn(CC(F)(F)F)c1 ZINC000479519986 999457507 /nfs/dbraw/zinc/45/75/07/999457507.db2.gz YKDFPMVDJVLPRU-UHFFFAOYSA-N 0 2 417.409 3.678 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OC)cc1OC ZINC000479524701 999460039 /nfs/dbraw/zinc/46/00/39/999460039.db2.gz ISJHPHBLTJLTAL-UHFFFAOYSA-N 0 2 415.895 3.573 20 0 HHADLN COc1cc(N2CCOC(C)(C)C2)ccc1NS(=O)(=O)c1c(C)cccc1F ZINC000479527854 999461862 /nfs/dbraw/zinc/46/18/62/999461862.db2.gz PKXMEFUWOMBYGP-UHFFFAOYSA-N 0 2 408.495 3.559 20 0 HHADLN COC(=O)c1cncc(NS(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)c1 ZINC000488413168 999480320 /nfs/dbraw/zinc/48/03/20/999480320.db2.gz PFQIQYDXMBGDBX-UHFFFAOYSA-N 0 2 410.879 3.501 20 0 HHADLN CC[C@@H](C)n1ncc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1C ZINC000479906636 999643902 /nfs/dbraw/zinc/64/39/02/999643902.db2.gz YNUDHDSFZOAHRE-GFCCVEGCSA-N 0 2 419.532 3.672 20 0 HHADLN CNC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2OC2CCCC2)cc1 ZINC000488984589 999664277 /nfs/dbraw/zinc/66/42/77/999664277.db2.gz SGAHTDPOGVALDG-UHFFFAOYSA-N 0 2 408.907 3.822 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)cc1Br ZINC000479976371 999670735 /nfs/dbraw/zinc/67/07/35/999670735.db2.gz QIYRMRPFWAOTIE-UHFFFAOYSA-N 0 2 416.244 3.515 20 0 HHADLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)ccc2O1 ZINC000479997147 999680042 /nfs/dbraw/zinc/68/00/42/999680042.db2.gz RSDUYWGAPBYKDY-SNVBAGLBSA-N 0 2 407.904 3.983 20 0 HHADLN C[C@H]1Cc2cc(S(=O)(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)ccc2O1 ZINC000479997146 999680164 /nfs/dbraw/zinc/68/01/64/999680164.db2.gz RSDUYWGAPBYKDY-JTQLQIEISA-N 0 2 407.904 3.983 20 0 HHADLN COC(=O)c1nscc1NS(=O)(=O)c1ccc(Oc2ccc(OC)cc2)cc1 ZINC000480006778 999683625 /nfs/dbraw/zinc/68/36/25/999683625.db2.gz AYWOIUWIORESKL-UHFFFAOYSA-N 0 2 420.468 3.531 20 0 HHADLN Cc1sc(Br)cc1S(=O)(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000480024133 999691126 /nfs/dbraw/zinc/69/11/26/999691126.db2.gz YTXHUIZYPAJXOI-UHFFFAOYSA-N 0 2 422.273 3.576 20 0 HHADLN O=C(NCCCc1n[nH]c(=O)[nH]1)[C@H](Sc1ccc(F)c(Cl)c1)c1ccccc1 ZINC000480035438 999695664 /nfs/dbraw/zinc/69/56/64/999695664.db2.gz MDXPRVVLDQGVFJ-QGZVFWFLSA-N 0 2 420.897 3.885 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCc1c(F)cccc1N1CCCC1 ZINC000480051813 999702238 /nfs/dbraw/zinc/70/22/38/999702238.db2.gz UAEQJNYULFFBJU-UHFFFAOYSA-N 0 2 403.508 3.750 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000480052585 999702847 /nfs/dbraw/zinc/70/28/47/999702847.db2.gz YEKNLAFJUHQVOG-IKGGRYGDSA-N 0 2 412.540 3.725 20 0 HHADLN CCOC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000480095373 999715798 /nfs/dbraw/zinc/71/57/98/999715798.db2.gz KDQPLCZPAUZQEK-UHFFFAOYSA-N 0 2 413.517 3.668 20 0 HHADLN COc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000480192678 999741249 /nfs/dbraw/zinc/74/12/49/999741249.db2.gz IMGDJAMQPBEVPR-UHFFFAOYSA-N 0 2 423.661 3.891 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)c1C(C)C ZINC000480196425 999741933 /nfs/dbraw/zinc/74/19/33/999741933.db2.gz FPVYNWNYCCYUKY-UHFFFAOYSA-N 0 2 410.931 3.612 20 0 HHADLN O=S(=O)(Nc1cnc(-c2cccc(O)c2)nc1)c1ccc(CC(F)(F)F)cc1 ZINC000480202318 999744033 /nfs/dbraw/zinc/74/40/33/999744033.db2.gz WWYRCROSRUFZND-UHFFFAOYSA-N 0 2 409.389 3.755 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)c(F)c1 ZINC000480207360 999745414 /nfs/dbraw/zinc/74/54/14/999745414.db2.gz CSXXWQKJWIICNF-UHFFFAOYSA-N 0 2 416.478 3.620 20 0 HHADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cnn(-c2ccc(Cl)cc2)c1C(C)C ZINC000480222223 999749163 /nfs/dbraw/zinc/74/91/63/999749163.db2.gz GJDIBTVTGRXVGN-UHFFFAOYSA-N 0 2 407.927 3.800 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)c1C(C)C ZINC000480226329 999750203 /nfs/dbraw/zinc/75/02/03/999750203.db2.gz KYLWIQNYAFDUJM-UHFFFAOYSA-N 0 2 404.536 3.882 20 0 HHADLN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2OC)c1 ZINC000480228369 999750573 /nfs/dbraw/zinc/75/05/73/999750573.db2.gz JTDSBXXWGQQYNB-UHFFFAOYSA-N 0 2 424.327 3.596 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cnn1-c1ccc(Cl)cc1 ZINC000480240950 999754228 /nfs/dbraw/zinc/75/42/28/999754228.db2.gz KWQLNILDOVPVRZ-UHFFFAOYSA-N 0 2 418.862 3.736 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)C[C@@H]2C=CCC2)c(F)c1 ZINC000480241484 999754521 /nfs/dbraw/zinc/75/45/21/999754521.db2.gz PAYKCEHLDSTHBX-CQSZACIVSA-N 0 2 404.463 3.930 20 0 HHADLN Cc1nn(C)c2ncc(S(=O)(=O)Nc3cnn(-c4ccc(C)cc4)c3C(C)C)cc12 ZINC000480245146 999755219 /nfs/dbraw/zinc/75/52/19/999755219.db2.gz WKAPOWIMCIKJKB-UHFFFAOYSA-N 0 2 424.530 3.695 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(N(C)C)ccc2Br)c1C ZINC000480247280 999755628 /nfs/dbraw/zinc/75/56/28/999755628.db2.gz ZXNUAZHSFOKJME-LLVKDONJSA-N 0 2 415.357 3.792 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)c(F)c1 ZINC000480250049 999756313 /nfs/dbraw/zinc/75/63/13/999756313.db2.gz QYWRYOQKESHDLM-UHFFFAOYSA-N 0 2 406.479 3.507 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)c(F)c1 ZINC000480254750 999757396 /nfs/dbraw/zinc/75/73/96/999757396.db2.gz YANWZRFOVPMULO-UHFFFAOYSA-N 0 2 415.368 3.840 20 0 HHADLN CC1(C)CCCC[C@@H]1CC(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000490086870 999890794 /nfs/dbraw/zinc/89/07/94/999890794.db2.gz LUIDGOFFLKSFCG-CYBMUJFWSA-N 0 2 408.549 3.884 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCCn4c(cc5ccccc54)C3)=N2)cc1 ZINC000491458444 1000076596 /nfs/dbraw/zinc/07/65/96/1000076596.db2.gz MHDCZBSIXQGEOK-UHFFFAOYSA-N 0 2 402.454 3.587 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)cnn1CCC(C)C ZINC000491584839 1000086147 /nfs/dbraw/zinc/08/61/47/1000086147.db2.gz XTQDIRWVBCUBCJ-UHFFFAOYSA-N 0 2 420.457 3.629 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2nc(CN3CCCCC3)cs2)c1 ZINC000492077665 1000108506 /nfs/dbraw/zinc/10/85/06/1000108506.db2.gz FBTCEEMUHIKEPB-UHFFFAOYSA-N 0 2 401.941 3.592 20 0 HHADLN CC(C)(C)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)n(-c2ncccn2)n1 ZINC000492157966 1000112511 /nfs/dbraw/zinc/11/25/11/1000112511.db2.gz MLEPZXPRBAQFKV-UHFFFAOYSA-N 0 2 407.499 3.914 20 0 HHADLN CN(C)c1cccc(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)c1 ZINC000492977124 1000152299 /nfs/dbraw/zinc/15/22/99/1000152299.db2.gz PETCUNNFUNVLHI-UHFFFAOYSA-N 0 2 408.936 3.649 20 0 HHADLN CC(C)[C@@H](O)C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000505181664 1000601349 /nfs/dbraw/zinc/60/13/49/1000601349.db2.gz ICDUCIJFRUWUEB-OAHLLOKOSA-N 0 2 417.314 3.750 20 0 HHADLN CCOC[C@H]1CCCN(C(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)C1 ZINC000505198033 1000612645 /nfs/dbraw/zinc/61/26/45/1000612645.db2.gz NABDFOBHRMBUOD-INIZCTEOSA-N 0 2 422.572 3.746 20 0 HHADLN CCOCCO[C@@H](C)C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000505209971 1000620952 /nfs/dbraw/zinc/62/09/52/1000620952.db2.gz LRPZWTNRTWCEPV-HNNXBMFYSA-N 0 2 413.499 3.799 20 0 HHADLN O=C(N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)c1cnn2cccnc12 ZINC000505210879 1000621027 /nfs/dbraw/zinc/62/10/27/1000621027.db2.gz PUNRKCMBHWUVJO-UHFFFAOYSA-N 0 2 414.450 3.714 20 0 HHADLN CN(Cc1ccc(Br)c(F)c1)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000494765637 1000641832 /nfs/dbraw/zinc/64/18/32/1000641832.db2.gz RZRHRQCPJDTIDE-UHFFFAOYSA-N 0 2 401.305 3.823 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)c2cccnc2)c1 ZINC000505281109 1000667666 /nfs/dbraw/zinc/66/76/66/1000667666.db2.gz MMLZUFJVWOCQBA-UHFFFAOYSA-N 0 2 411.458 3.533 20 0 HHADLN O=S(=O)(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1cccc(F)c1F ZINC000505299974 1000683282 /nfs/dbraw/zinc/68/32/82/1000683282.db2.gz NCZANGNTKAEQGQ-UHFFFAOYSA-N 0 2 403.332 3.970 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000494894052 1000716458 /nfs/dbraw/zinc/71/64/58/1000716458.db2.gz QVUOFDFXEKOTBJ-UHFFFAOYSA-N 0 2 405.892 3.774 20 0 HHADLN CCSc1cccc(NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)c1 ZINC000505746854 1001003960 /nfs/dbraw/zinc/00/39/60/1001003960.db2.gz BMJHYMZODSPSST-UHFFFAOYSA-N 0 2 422.557 3.647 20 0 HHADLN CCC[C@H]1C[C@H](C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)CCO1 ZINC000506337371 1001363919 /nfs/dbraw/zinc/36/39/19/1001363919.db2.gz JXEYKNVQBSUHQQ-PWSUYJOCSA-N 0 2 411.275 3.907 20 0 HHADLN CCOC(=O)c1csc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)n1 ZINC000506806164 1001540384 /nfs/dbraw/zinc/54/03/84/1001540384.db2.gz PUAVFPXFFNHZME-UHFFFAOYSA-N 0 2 414.814 3.793 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2cccnc2N2CCCCC2)c1 ZINC000497863197 1001541127 /nfs/dbraw/zinc/54/11/27/1001541127.db2.gz SBOSZERNUJFUDZ-UHFFFAOYSA-N 0 2 410.337 3.944 20 0 HHADLN COC(=O)c1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1nnc(C(C)C)s1 ZINC000506813448 1001544963 /nfs/dbraw/zinc/54/49/63/1001544963.db2.gz FOOSZNRAPUNCAF-UHFFFAOYSA-N 0 2 410.304 3.556 20 0 HHADLN COCc1ccc(OC)c(S(=O)(=O)Nc2c(-c3ccco3)nc3ccccn32)c1 ZINC000506822275 1001549623 /nfs/dbraw/zinc/54/96/23/1001549623.db2.gz SQVIGPWGFPKRPP-UHFFFAOYSA-N 0 2 413.455 3.550 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc3c(cc(C)cc3C)s2)c1 ZINC000506848609 1001563470 /nfs/dbraw/zinc/56/34/70/1001563470.db2.gz KAMNEUOMFRGMSV-UHFFFAOYSA-N 0 2 404.513 3.820 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2ncc(-c3ccccc3)s2)c1 ZINC000506849447 1001563830 /nfs/dbraw/zinc/56/38/30/1001563830.db2.gz BDKTUDAERGDWSB-UHFFFAOYSA-N 0 2 402.497 3.717 20 0 HHADLN COC(=O)c1ccc(-n2cc(C)cn2)c(NS(=O)(=O)c2cc(C)ccc2Cl)c1 ZINC000498030091 1001613159 /nfs/dbraw/zinc/61/31/59/1001613159.db2.gz HCOAGLXXKIZTNL-UHFFFAOYSA-N 0 2 419.890 3.730 20 0 HHADLN CC(C)(C)Oc1cc(F)ccc1NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000498495191 1001920909 /nfs/dbraw/zinc/92/09/09/1001920909.db2.gz GZYALEJCFKZKKM-UHFFFAOYSA-N 0 2 412.870 3.952 20 0 HHADLN CC(C)n1nc(-c2ccccc2)cc1NS(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000507312235 1001991559 /nfs/dbraw/zinc/99/15/59/1001991559.db2.gz JLMFIIZAIKIQAO-UHFFFAOYSA-N 0 2 412.515 3.634 20 0 HHADLN Cc1nn(C)c2ncc(S(=O)(=O)Nc3cc(-c4ccccc4)nn3C(C)C)cc12 ZINC000507316264 1001995237 /nfs/dbraw/zinc/99/52/37/1001995237.db2.gz UHWDDXWPEPVSQI-UHFFFAOYSA-N 0 2 410.503 3.522 20 0 HHADLN CC(=O)c1cc(NS(=O)(=O)c2cc(Br)c(F)cc2F)ccc1F ZINC000507579464 1002184186 /nfs/dbraw/zinc/18/41/86/1002184186.db2.gz CTEGWNAFDSFZTP-UHFFFAOYSA-N 0 2 408.195 3.870 20 0 HHADLN O=C1CCC(=O)N1c1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)ccc1F ZINC000507604521 1002211021 /nfs/dbraw/zinc/21/10/21/1002211021.db2.gz LKPHZDSOSGJESJ-UHFFFAOYSA-N 0 2 423.274 3.648 20 0 HHADLN O=S(=O)(Nc1ccc(F)cc1OC1CCOCC1)c1cc(F)ccc1Cl ZINC000507617635 1002223007 /nfs/dbraw/zinc/22/30/07/1002223007.db2.gz PMZDFWJVDJVSTQ-UHFFFAOYSA-N 0 2 403.834 3.977 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2cccc(C)c2F)c(C)cc1Br ZINC000507633174 1002235344 /nfs/dbraw/zinc/23/53/44/1002235344.db2.gz AYGOTMJESRZSEQ-UHFFFAOYSA-N 0 2 416.268 3.792 20 0 HHADLN COC(=O)[C@H](CS(=O)(=O)Nc1ccc(Cl)cc1OC(F)F)c1ccccc1 ZINC000507888665 1002421581 /nfs/dbraw/zinc/42/15/81/1002421581.db2.gz MPYRPAZGALYPOO-CYBMUJFWSA-N 0 2 419.833 3.640 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(C)C)c1 ZINC000507908087 1002443134 /nfs/dbraw/zinc/44/31/34/1002443134.db2.gz YVFIHKGYLXVXDZ-UHFFFAOYSA-N 0 2 407.536 3.569 20 0 HHADLN O=S(=O)(NC1(C(F)(F)F)CCOCC1)c1cc(Cl)ccc1C(F)(F)F ZINC000507985577 1002514663 /nfs/dbraw/zinc/51/46/63/1002514663.db2.gz KVSMBQHVPCKHHC-UHFFFAOYSA-N 0 2 411.751 3.749 20 0 HHADLN CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc3nn[nH]c3c2)[C@@H]1c1ccccc1OC ZINC000508003586 1002531480 /nfs/dbraw/zinc/53/14/80/1002531480.db2.gz YYDTUAHZPGAIQM-JTSKRJEESA-N 0 2 421.501 3.685 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OCc2cscn2)cc1 ZINC000508027508 1002549938 /nfs/dbraw/zinc/54/99/38/1002549938.db2.gz VMSCXFAPFQXVBR-UHFFFAOYSA-N 0 2 418.496 3.700 20 0 HHADLN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1ccc(F)cc1C(F)(F)F ZINC000508069372 1002591321 /nfs/dbraw/zinc/59/13/21/1002591321.db2.gz QYENMSMDANQNNV-UHFFFAOYSA-N 0 2 410.414 3.996 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nc3c(s2)CSCC3)ccc1Br ZINC000508073415 1002595232 /nfs/dbraw/zinc/59/52/32/1002595232.db2.gz KIXKSQINPXXOPW-UHFFFAOYSA-N 0 2 405.364 3.804 20 0 HHADLN O=S(=O)([N-]c1ccc(Cn2cc[nH+]c2)cn1)c1ccc(Cl)c(F)c1Cl ZINC000508082886 1002604077 /nfs/dbraw/zinc/60/40/77/1002604077.db2.gz IOHUAYCEUJZLQV-UHFFFAOYSA-N 0 2 401.250 3.573 20 0 HHADLN CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc4c(s3)c(Cl)ccc4C)ccc21 ZINC000508085897 1002607858 /nfs/dbraw/zinc/60/78/58/1002607858.db2.gz QCRGVXWNCISIBJ-UHFFFAOYSA-N 0 2 421.931 3.968 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccc(OC(F)F)c2)o1)c1cccc2ncccc21 ZINC000508087529 1002610019 /nfs/dbraw/zinc/61/00/19/1002610019.db2.gz WGZQPOMFQPBEIZ-UHFFFAOYSA-N 0 2 418.381 3.687 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3cccc(OC(F)F)c3)o2)cc(C)c1F ZINC000508097169 1002621738 /nfs/dbraw/zinc/62/17/38/1002621738.db2.gz SUVMQBFXQSVKFM-UHFFFAOYSA-N 0 2 413.377 3.895 20 0 HHADLN CC(C)n1cc(S(=O)(=O)Nc2nc3c(cccc3Br)s2)cn1 ZINC000508104218 1002629751 /nfs/dbraw/zinc/62/97/51/1002629751.db2.gz RWAJJGOGDGCBEC-UHFFFAOYSA-N 0 2 401.311 3.637 20 0 HHADLN O=S(=O)(Nc1nc(C2CCOCC2)cs1)c1ccc(F)c(C(F)(F)F)c1 ZINC000508109493 1002635860 /nfs/dbraw/zinc/63/58/60/1002635860.db2.gz KOPSXPXZLFSWBD-UHFFFAOYSA-N 0 2 410.414 3.996 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3cccc(Br)c3)o2)ccc1F ZINC000508111898 1002639622 /nfs/dbraw/zinc/63/96/22/1002639622.db2.gz XWJNDWAOOLYEQQ-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3ccc4c(Cl)cccc4n3)cc21 ZINC000508121549 1002650211 /nfs/dbraw/zinc/65/02/11/1002650211.db2.gz YCUCPKAPRCOUNG-UHFFFAOYSA-N 0 2 415.902 3.988 20 0 HHADLN O=S(=O)(Cc1ccc(Br)cc1)Nc1nc2c(s1)CSCC2 ZINC000508129852 1002661693 /nfs/dbraw/zinc/66/16/93/1002661693.db2.gz WQAAFPFUKGCXRT-UHFFFAOYSA-N 0 2 405.364 3.637 20 0 HHADLN Cc1ccc(Cl)c2sc(NS(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)nc21 ZINC000508147498 1002682125 /nfs/dbraw/zinc/68/21/25/1002682125.db2.gz XNRRUZODCZRUBA-UHFFFAOYSA-N 0 2 405.888 3.900 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cnn(CC(C)C)c2C(C)C)cc1Cl ZINC000499275672 1002682840 /nfs/dbraw/zinc/68/28/40/1002682840.db2.gz VNNDJKJCZWNHBH-UHFFFAOYSA-N 0 2 413.927 3.903 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(OC(F)F)c(Cl)c1 ZINC000508198814 1002733306 /nfs/dbraw/zinc/73/33/06/1002733306.db2.gz DXLSXCONFRFHNY-UHFFFAOYSA-N 0 2 419.768 3.931 20 0 HHADLN Cc1cc(Br)ccc1S(=O)(=O)Nc1nnc(-c2ccc(F)cc2)o1 ZINC000508215661 1002746553 /nfs/dbraw/zinc/74/65/53/1002746553.db2.gz PYISOQBHCVQOJG-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc3c(c2)OCO3)o1)c1cccc(-c2ccccc2)c1 ZINC000508217666 1002748085 /nfs/dbraw/zinc/74/80/85/1002748085.db2.gz WXMSGECDTAPDMD-UHFFFAOYSA-N 0 2 421.434 3.933 20 0 HHADLN CCCc1cnc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2C(=O)OC)s1 ZINC000508218484 1002748766 /nfs/dbraw/zinc/74/87/66/1002748766.db2.gz ZHNDUYBCRUMXCR-UHFFFAOYSA-N 0 2 409.316 3.990 20 0 HHADLN O=C(NCc1ccc(OCc2ccccn2)cc1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000499772766 1003110672 /nfs/dbraw/zinc/11/06/72/1003110672.db2.gz HKWMLATVFUKQLH-UHFFFAOYSA-N 0 2 418.428 3.621 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC000499784849 1003120538 /nfs/dbraw/zinc/12/05/38/1003120538.db2.gz WSZDXPBTQOEQAG-UHFFFAOYSA-N 0 2 405.433 3.613 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](c3ccccc3)c3ccncc3)=N2)cc1 ZINC000499888854 1003224217 /nfs/dbraw/zinc/22/42/17/1003224217.db2.gz FLCCEEKAVWNZPU-NRFANRHFSA-N 0 2 400.438 3.501 20 0 HHADLN O=C(C1=NN(c2ccc(F)cc2)CC1=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000499956656 1003276755 /nfs/dbraw/zinc/27/67/55/1003276755.db2.gz VVUKZBXWMSCIPR-SFHVURJKSA-N 0 2 419.815 3.723 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCCCC[C@@H]3[C@H]3CCCCC3=O)=N2)cc1 ZINC000500126633 1003488350 /nfs/dbraw/zinc/48/83/50/1003488350.db2.gz XKZAPJSJVLGACT-RTBURBONSA-N 0 2 411.502 3.731 20 0 HHADLN O=S(=O)(Nc1ccc(-c2ncon2)cc1)c1c(Cl)cccc1Br ZINC000509063343 1003525719 /nfs/dbraw/zinc/52/57/19/1003525719.db2.gz FIJDPDJFXDGOMT-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccccc1Sc1nccn1C ZINC000509073587 1003533585 /nfs/dbraw/zinc/53/35/85/1003533585.db2.gz CLXMEPDSOXZJBP-UHFFFAOYSA-N 0 2 403.529 3.998 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000509216713 1003630396 /nfs/dbraw/zinc/63/03/96/1003630396.db2.gz HVBBWOQHZOPXLD-ZDUSSCGKSA-N 0 2 409.577 3.801 20 0 HHADLN O=S(=O)(Nc1nc2c(cccc2C(F)(F)F)s1)c1cccc2c1OCO2 ZINC000509219432 1003632799 /nfs/dbraw/zinc/63/27/99/1003632799.db2.gz KWGGOLPEFDKAPW-UHFFFAOYSA-N 0 2 402.375 3.845 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)[N-]c1cccc(C[NH+]2CCSCC2)c1C ZINC000509251050 1003654457 /nfs/dbraw/zinc/65/44/57/1003654457.db2.gz YDNJGNSBVKJPFX-UHFFFAOYSA-N 0 2 420.600 3.970 20 0 HHADLN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1nnc(CCc2ccccc2)o1 ZINC000509270285 1003668366 /nfs/dbraw/zinc/66/83/66/1003668366.db2.gz NXGYFAVRDVWPOZ-UHFFFAOYSA-N 0 2 411.405 3.983 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(F)(F)F)nc1C ZINC000509384957 1003813322 /nfs/dbraw/zinc/81/33/22/1003813322.db2.gz MXTDCELGBAIKOT-UHFFFAOYSA-N 0 2 408.785 3.650 20 0 HHADLN CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000511841088 1003818600 /nfs/dbraw/zinc/81/86/00/1003818600.db2.gz GACPDCVCKNDSEJ-IBGZPJMESA-N 0 2 420.538 3.565 20 0 HHADLN Cc1cc(CNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)nc(C)n1 ZINC000511860523 1003841546 /nfs/dbraw/zinc/84/15/46/1003841546.db2.gz CNKMKVKUBBGOEY-UHFFFAOYSA-N 0 2 400.438 3.657 20 0 HHADLN CCc1nc(C)c([C@@H](C)N(C)C(=O)C2=NN(c3ccc(OC)cc3)CC2=O)s1 ZINC000500651238 1003864570 /nfs/dbraw/zinc/86/45/70/1003864570.db2.gz AEPKLDFUKDTLAT-CYBMUJFWSA-N 0 2 400.504 3.747 20 0 HHADLN C[C@@H](NC(=O)CC1CCCCC1)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000509478126 1003891970 /nfs/dbraw/zinc/89/19/70/1003891970.db2.gz UVFPIIBKJPSDKT-GFCCVEGCSA-N 0 2 406.939 3.694 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1N1CCSCC1)c1cccc(F)c1F ZINC000509556498 1003943460 /nfs/dbraw/zinc/94/34/60/1003943460.db2.gz JZPKNNMWOYWEMC-UHFFFAOYSA-N 0 2 404.891 3.972 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OC)cc1C(F)(F)F ZINC000509559384 1003945629 /nfs/dbraw/zinc/94/56/29/1003945629.db2.gz URGNGWBWUSLVQN-UHFFFAOYSA-N 0 2 423.796 3.955 20 0 HHADLN Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NS(=O)(=O)c1cccc(F)c1F ZINC000509570593 1003952432 /nfs/dbraw/zinc/95/24/32/1003952432.db2.gz PACSZUVVGDFVEV-ZDUSSCGKSA-N 0 2 408.470 3.946 20 0 HHADLN O=S(=O)(Nc1ccccc1)c1cccc(NS(=O)(=O)c2cccc(F)c2F)c1 ZINC000509574229 1003954150 /nfs/dbraw/zinc/95/41/50/1003954150.db2.gz ZVQHAOQJADIELF-UHFFFAOYSA-N 0 2 424.450 3.566 20 0 HHADLN O=S(=O)(Nc1cc2c(cc1Sc1ccccc1)OCCO2)c1cncc(F)c1 ZINC000509583464 1003959970 /nfs/dbraw/zinc/95/99/70/1003959970.db2.gz KADKUBRMJOXDDQ-UHFFFAOYSA-N 0 2 418.471 3.944 20 0 HHADLN O=c1nc2[nH]cc(-c3nc([C@H](F)c4ccc(C(F)(F)F)cc4)no3)cc-2c(=O)[nH]1 ZINC000512043554 1003976738 /nfs/dbraw/zinc/97/67/38/1003976738.db2.gz ZSVBIJCWHGTYAI-LLVKDONJSA-N 0 2 407.283 3.564 20 0 HHADLN CCCN(CCC)C(=O)c1ccc(NS(=O)(=O)c2cccc3c2OCCO3)cc1 ZINC000509625331 1003988765 /nfs/dbraw/zinc/98/87/65/1003988765.db2.gz ZODCAZCWNQBSQJ-UHFFFAOYSA-N 0 2 418.515 3.521 20 0 HHADLN O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc(F)c1F ZINC000509629696 1003992155 /nfs/dbraw/zinc/99/21/55/1003992155.db2.gz WRXMXPUHUKRMRQ-UHFFFAOYSA-N 0 2 422.375 3.621 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H]3CCCc4cn(C5CCCC5)nc43)=N2)cc1 ZINC000509690487 1004032636 /nfs/dbraw/zinc/03/26/36/1004032636.db2.gz HTKOMHRUASANOJ-IBGZPJMESA-N 0 2 421.501 3.706 20 0 HHADLN CO[C@H](C)c1nc(=NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)s[n-]1 ZINC000509725281 1004053398 /nfs/dbraw/zinc/05/33/98/1004053398.db2.gz DAJNGAHANYQLKA-GFCCVEGCSA-N 0 2 400.470 3.763 20 0 HHADLN CC(C)CN(Cc1ccccc1Br)C(=O)c1c[nH]c2c(cnn2C)c1=O ZINC000512165732 1004070563 /nfs/dbraw/zinc/07/05/63/1004070563.db2.gz QZXHORBPACSQPI-UHFFFAOYSA-N 0 2 417.307 3.735 20 0 HHADLN C[C@H](CC(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1)C1CCCCC1 ZINC000512220423 1004121195 /nfs/dbraw/zinc/12/11/95/1004121195.db2.gz DOHVXEMHDLEILR-CYBMUJFWSA-N 0 2 408.549 3.884 20 0 HHADLN CN1c2ccc(S(=O)(=O)Nc3nc(C(C)(C)C)cs3)c3cccc(c23)C1=O ZINC000512363530 1004248185 /nfs/dbraw/zinc/24/81/85/1004248185.db2.gz SOIQHXZKJOSSAJ-UHFFFAOYSA-N 0 2 401.513 3.985 20 0 HHADLN CCC(=O)c1cccc(S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)ns2)c1 ZINC000512363857 1004248671 /nfs/dbraw/zinc/24/86/71/1004248671.db2.gz VWGQECZFLIRPHL-UHFFFAOYSA-N 0 2 407.904 3.674 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000510069653 1004302906 /nfs/dbraw/zinc/30/29/06/1004302906.db2.gz DPZLKCQPVAHTLH-UHFFFAOYSA-N 0 2 409.446 3.785 20 0 HHADLN CC(C)(CNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCCC1 ZINC000512536748 1004369436 /nfs/dbraw/zinc/36/94/36/1004369436.db2.gz VERLBATZQJTUJL-UHFFFAOYSA-N 0 2 407.561 3.890 20 0 HHADLN O=C(COc1ccc(-c2ccccc2)cc1Cl)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000510281461 1004447623 /nfs/dbraw/zinc/44/76/23/1004447623.db2.gz FSTFIKPOCYZZOS-INIZCTEOSA-N 0 2 412.877 3.616 20 0 HHADLN CCOC(=O)[C@H]1CCCCN1Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 ZINC000510291504 1004455622 /nfs/dbraw/zinc/45/56/22/1004455622.db2.gz ZPSYCDWHSCASHB-MRXNPFEDSA-N 0 2 415.490 3.708 20 0 HHADLN CCCOc1cc(F)ccc1NS(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000512761537 1004543554 /nfs/dbraw/zinc/54/35/54/1004543554.db2.gz CWHLROSIFFHZSI-UHFFFAOYSA-N 0 2 401.843 3.855 20 0 HHADLN COC(=O)[C@@H](c1cccc(Br)c1)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000501814023 1004753323 /nfs/dbraw/zinc/75/33/23/1004753323.db2.gz GSVHFECOENTRTR-CQSZACIVSA-N 0 2 422.304 3.506 20 0 HHADLN Cc1csc([C@H]2COCCN2C(=O)C2=NN(c3cccc(C(C)C)c3)CC2=O)n1 ZINC000501818724 1004756648 /nfs/dbraw/zinc/75/66/48/1004756648.db2.gz VWYIVEYBPHSDKX-QGZVFWFLSA-N 0 2 412.515 3.680 20 0 HHADLN O=C(C1=NN(c2ccccc2)CC1=O)N1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000502097741 1004901996 /nfs/dbraw/zinc/90/19/96/1004901996.db2.gz HXMCSRONXUHWLJ-AWEZNQCLSA-N 0 2 406.417 3.878 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000502167313 1004934752 /nfs/dbraw/zinc/93/47/52/1004934752.db2.gz MDOIAIBNTHFNLV-NJYVYQBISA-N 0 2 417.513 3.861 20 0 HHADLN COc1cc(NS(=O)(=O)c2cccc(C)c2F)ccc1NC(=O)c1cccnc1 ZINC000513456297 1004975002 /nfs/dbraw/zinc/97/50/02/1004975002.db2.gz CXUUSVPJRXHWOV-UHFFFAOYSA-N 0 2 415.446 3.591 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000513509990 1004997259 /nfs/dbraw/zinc/99/72/59/1004997259.db2.gz XHLUSXUTKCAFRW-GUDVDZBRSA-N 0 2 406.511 3.663 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cnc1N1CCCC[C@H]1C ZINC000502431967 1005073997 /nfs/dbraw/zinc/07/39/97/1005073997.db2.gz NOFLNCCLQWQFCR-QGZVFWFLSA-N 0 2 411.531 3.755 20 0 HHADLN COC(=O)c1ccc(-n2cc(C)cn2)c(NS(=O)(=O)c2cc(F)ccc2Cl)c1 ZINC000513815149 1005140873 /nfs/dbraw/zinc/14/08/73/1005140873.db2.gz NZFIYZPFPHRJSD-UHFFFAOYSA-N 0 2 423.853 3.561 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cnc(-c3cccc(O)c3)nc2)c2ccccc12 ZINC000502761897 1005205917 /nfs/dbraw/zinc/20/59/17/1005205917.db2.gz DBICSSGUFUECIH-UHFFFAOYSA-N 0 2 407.451 3.812 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CC[C@@H](C(F)(F)F)C4(CCC4)C3)=N2)cc1 ZINC000514178653 1005299949 /nfs/dbraw/zinc/29/99/49/1005299949.db2.gz AGRIVURKXVQTBJ-MRXNPFEDSA-N 0 2 409.408 3.781 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000504039158 1005538480 /nfs/dbraw/zinc/53/84/80/1005538480.db2.gz ZXHXYIOMASYROK-UHFFFAOYSA-N 0 2 409.794 3.684 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)NCC3CCN(CC(F)(F)F)CC3)=N2)c1 ZINC000504147991 1005562278 /nfs/dbraw/zinc/56/22/78/1005562278.db2.gz ADAWHSNOVFWLFU-UHFFFAOYSA-N 0 2 424.467 3.705 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1cnc(C2CC2)s1 ZINC000531144947 1006017376 /nfs/dbraw/zinc/01/73/76/1006017376.db2.gz XFUYYWZAAYAUCU-UHFFFAOYSA-N 0 2 406.514 3.530 20 0 HHADLN C[C@H](NC(=O)CSc1nc(=O)cc(O)n1C1CCCC1)c1ccc(Cl)cc1 ZINC000514529886 1006023142 /nfs/dbraw/zinc/02/31/42/1006023142.db2.gz DBGYPWNTHBPRHP-LBPRGKRZSA-N 0 2 407.923 3.687 20 0 HHADLN COc1cc(CNC(=O)C2=NN(c3ccc(F)cc3C)CC2=O)ccc1OC(F)F ZINC000531197551 1006040872 /nfs/dbraw/zinc/04/08/72/1006040872.db2.gz OYGCILCAIRGOJR-UHFFFAOYSA-N 0 2 421.375 3.565 20 0 HHADLN O=C1CCCc2ccc(S(=O)(=O)Nc3c(-c4cccnc4)nc4ccccn43)cc21 ZINC000514593307 1006049030 /nfs/dbraw/zinc/04/90/30/1006049030.db2.gz TZQWRVHYSWNMPN-UHFFFAOYSA-N 0 2 418.478 3.716 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCC[C@H](c4nncn4C4CC4)C3)=N2)c1 ZINC000531252090 1006071515 /nfs/dbraw/zinc/07/15/15/1006071515.db2.gz GQDUFVUBSXSAIF-KRWDZBQOSA-N 0 2 420.517 3.648 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3cc(-c4cc(C)cc(C)c4)n[nH]3)cc2C[C@H]1C ZINC000531257986 1006076469 /nfs/dbraw/zinc/07/64/69/1006076469.db2.gz ZZBXCDOUIZJWQI-OAHLLOKOSA-N 0 2 424.526 3.792 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000531341943 1006134330 /nfs/dbraw/zinc/13/43/30/1006134330.db2.gz ZBCFGOWRWOUUKE-INIZCTEOSA-N 0 2 402.426 3.511 20 0 HHADLN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000531342054 1006135794 /nfs/dbraw/zinc/13/57/94/1006135794.db2.gz VTJTWJRRWVLXEE-GOSISDBHSA-N 0 2 424.526 3.849 20 0 HHADLN C[C@H](C(=O)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1)c1cnn(C)c1 ZINC000531416895 1006182208 /nfs/dbraw/zinc/18/22/08/1006182208.db2.gz GTJSWUYBKSUAMQ-AWEZNQCLSA-N 0 2 405.483 3.895 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(F)cc2)s1)c1cnc2ccsc2c1 ZINC000531450598 1006204713 /nfs/dbraw/zinc/20/47/13/1006204713.db2.gz UJBLASBHHBXSCA-UHFFFAOYSA-N 0 2 406.489 3.679 20 0 HHADLN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1ccc(-c2ccccc2)c(C)n1 ZINC000514980136 1006235998 /nfs/dbraw/zinc/23/59/98/1006235998.db2.gz UVKAFXRYEFTNCX-UHFFFAOYSA-N 0 2 416.524 3.570 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(CCCc3cccs3)o2)c(C)c1 ZINC000514991009 1006240815 /nfs/dbraw/zinc/24/08/15/1006240815.db2.gz JZOSJPZDJDINGC-UHFFFAOYSA-N 0 2 407.517 3.733 20 0 HHADLN Cc1cccnc1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1Br ZINC000534244372 1006251539 /nfs/dbraw/zinc/25/15/39/1006251539.db2.gz FMSYZUKTRNDVFY-UHFFFAOYSA-N 0 2 411.199 3.852 20 0 HHADLN CC(C)(C)Cc1nnc(NS(=O)(=O)c2cccc(Br)c2Cl)o1 ZINC000515260996 1006368242 /nfs/dbraw/zinc/36/82/42/1006368242.db2.gz LUWDFWSLEVPYJV-UHFFFAOYSA-N 0 2 408.705 3.875 20 0 HHADLN O=S(=O)(Nc1nnc(C(F)F)s1)c1cc(Br)ccc1Cl ZINC000534400608 1006376859 /nfs/dbraw/zinc/37/68/59/1006376859.db2.gz RQAANUJFSZYWCB-UHFFFAOYSA-N 0 2 404.645 3.692 20 0 HHADLN CC(C)(C)c1cc(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)n(C(C)(C)C)n1 ZINC000531857667 1006479831 /nfs/dbraw/zinc/47/98/31/1006479831.db2.gz SFIDFJLJNVLBAC-UHFFFAOYSA-N 0 2 418.563 3.966 20 0 HHADLN CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3nc4cc(F)c(F)cc4s3)cc21 ZINC000531858647 1006479846 /nfs/dbraw/zinc/47/98/46/1006479846.db2.gz QFCXHQCISAINQJ-UHFFFAOYSA-N 0 2 409.439 3.605 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1c(C)cc(Br)cc1C ZINC000515634998 1006570369 /nfs/dbraw/zinc/57/03/69/1006570369.db2.gz WQBJFSIJGJGHSA-UHFFFAOYSA-N 0 2 416.293 3.863 20 0 HHADLN Cc1cccc(C(=O)N=c2nc(-c3ccccc3)[nH]s2)c1I ZINC000515705985 1006603032 /nfs/dbraw/zinc/60/30/32/1006603032.db2.gz WEAWTVQDENLOHO-UHFFFAOYSA-N 0 2 421.263 3.792 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3ncc(-c4ccccc4)s3)cnc2c1Cl ZINC000538370210 1006640728 /nfs/dbraw/zinc/64/07/28/1006640728.db2.gz PTQNPLKKSKKEKF-UHFFFAOYSA-N 0 2 405.892 3.615 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)o2)cc1Cl ZINC000515764798 1006655449 /nfs/dbraw/zinc/65/54/49/1006655449.db2.gz ZVPNOYNMMLTBPI-UHFFFAOYSA-N 0 2 414.270 3.777 20 0 HHADLN CC(C)c1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)n1 ZINC000532143372 1006669246 /nfs/dbraw/zinc/66/92/46/1006669246.db2.gz AKBUIAQRUVBOTD-UHFFFAOYSA-N 0 2 402.501 3.715 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(C3(C(=O)OC)CC3)cc2)c1C1CC1 ZINC000538449863 1006718549 /nfs/dbraw/zinc/71/85/49/1006718549.db2.gz QFWVAHWXLJMQPE-CQSZACIVSA-N 0 2 417.531 3.737 20 0 HHADLN Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)c(F)cc1F ZINC000534744054 1006735164 /nfs/dbraw/zinc/73/51/64/1006735164.db2.gz NVZKKIMIEVUAGR-MRXNPFEDSA-N 0 2 404.442 3.584 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CC[C@H](OCc4ccccn4)C3)=N2)c1 ZINC000532267337 1006757843 /nfs/dbraw/zinc/75/78/43/1006757843.db2.gz LTJRRURUFGKVHG-FQEVSTJZSA-N 0 2 406.486 3.528 20 0 HHADLN CC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c(F)c1 ZINC000538492349 1006760552 /nfs/dbraw/zinc/76/05/52/1006760552.db2.gz JFZQOTUZBXYXIF-UHFFFAOYSA-N 0 2 419.459 3.538 20 0 HHADLN CC(=O)c1ccc(S(=O)(=O)Nc2cc(Br)cc(Cl)c2O)cc1 ZINC000534900924 1006932064 /nfs/dbraw/zinc/93/20/64/1006932064.db2.gz ZMMBMVSVXXOXLG-UHFFFAOYSA-N 0 2 404.669 3.812 20 0 HHADLN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1cc(OCC(F)F)ccn1 ZINC000538689444 1006968269 /nfs/dbraw/zinc/96/82/69/1006968269.db2.gz WMMSHGVEIDRESS-UHFFFAOYSA-N 0 2 424.205 3.525 20 0 HHADLN CCc1ccc2nc(NS(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)sc2c1 ZINC000534942923 1006984024 /nfs/dbraw/zinc/98/40/24/1006984024.db2.gz XICJQXFKWVTWMH-UHFFFAOYSA-N 0 2 405.476 3.683 20 0 HHADLN COc1ccccc1-c1noc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)n1 ZINC000532589858 1007026427 /nfs/dbraw/zinc/02/64/27/1007026427.db2.gz HEIVKEQNBSLODK-UHFFFAOYSA-N 0 2 414.468 3.670 20 0 HHADLN COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)Nc1cc(C)cc2cccnc21 ZINC000516507348 1007117760 /nfs/dbraw/zinc/11/77/60/1007117760.db2.gz REGPJSMEINHGMC-UHFFFAOYSA-N 0 2 419.890 3.964 20 0 HHADLN OC(=COc1ccc2oc3ccccc3c2c1)Nc1nc(-c2cccnc2)ns1 ZINC000535175485 1007219386 /nfs/dbraw/zinc/21/93/86/1007219386.db2.gz SSEZWOFTHDRZPK-UHFFFAOYSA-N 0 2 402.435 3.939 20 0 HHADLN O=C(COc1ccc2oc3ccccc3c2c1)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535175485 1007219394 /nfs/dbraw/zinc/21/93/94/1007219394.db2.gz SSEZWOFTHDRZPK-UHFFFAOYSA-N 0 2 402.435 3.939 20 0 HHADLN Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535175086 1007219750 /nfs/dbraw/zinc/21/97/50/1007219750.db2.gz UFBYEAYSISKDFM-UHFFFAOYSA-N 0 2 401.517 3.629 20 0 HHADLN CCn1ncc2ccc(NS(=O)(=O)c3cc(F)c(Br)cc3F)cc21 ZINC000535232320 1007286207 /nfs/dbraw/zinc/28/62/07/1007286207.db2.gz DGZAJXFBQRINAL-UHFFFAOYSA-N 0 2 416.247 3.898 20 0 HHADLN CCOc1c(F)cccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000517059850 1007389320 /nfs/dbraw/zinc/38/93/20/1007389320.db2.gz ZDGBCLSJDUTUST-UHFFFAOYSA-N 0 2 421.475 3.734 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccccc2OC(F)(F)F)nc1C1CC1 ZINC000535387082 1007452087 /nfs/dbraw/zinc/45/20/87/1007452087.db2.gz YURZQCYONAMECV-UHFFFAOYSA-N 0 2 422.406 3.507 20 0 HHADLN Cc1ccc(NC(=O)c2ccc(N(C)Cc3nc(=O)c4sccc4[nH]3)nc2)cc1 ZINC000517268213 1007530038 /nfs/dbraw/zinc/53/00/38/1007530038.db2.gz FCZCNWUAIHUMEU-UHFFFAOYSA-N 0 2 405.483 3.989 20 0 HHADLN Cc1cc(Br)cc2c1CN(C(=O)N=c1nc(C(C)(C)C)[nH]s1)CC2 ZINC000539304289 1007602052 /nfs/dbraw/zinc/60/20/52/1007602052.db2.gz DUCNNORUSPFYMI-UHFFFAOYSA-N 0 2 409.353 3.919 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3cccc4cc(C)cnc43)s2)cc1 ZINC000535656130 1007669282 /nfs/dbraw/zinc/66/92/82/1007669282.db2.gz VEOBGSSQTBYYPI-UHFFFAOYSA-N 0 2 412.496 3.871 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(OC)cc3)s2)cc1C ZINC000535655938 1007669803 /nfs/dbraw/zinc/66/98/03/1007669803.db2.gz PPUVWCQJOPYVFA-UHFFFAOYSA-N 0 2 405.501 3.722 20 0 HHADLN Cc1nn2cc(S(=O)(=O)Nc3cc(C)c(C)c4ncccc34)cnc2c1Cl ZINC000539465576 1007778824 /nfs/dbraw/zinc/77/88/24/1007778824.db2.gz HFRSBLRMIKDAKD-UHFFFAOYSA-N 0 2 401.879 3.657 20 0 HHADLN CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2ccc3c(Cl)ccc(C)c3n2)c1 ZINC000539466677 1007779427 /nfs/dbraw/zinc/77/94/27/1007779427.db2.gz LQFRQYXYXCOLNU-UHFFFAOYSA-N 0 2 424.931 3.791 20 0 HHADLN NC(=O)c1cccc(Oc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3F)cc2)c1 ZINC000517593183 1007795482 /nfs/dbraw/zinc/79/54/82/1007795482.db2.gz SRCWMPLGRFUBIV-UHFFFAOYSA-N 0 2 422.384 3.796 20 0 HHADLN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000517607331 1007810793 /nfs/dbraw/zinc/81/07/93/1007810793.db2.gz OWTCXKVHZRIHIK-UHFFFAOYSA-N 0 2 405.220 3.747 20 0 HHADLN COc1cccc(CO[C@H](C)C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c1 ZINC000517647449 1007858834 /nfs/dbraw/zinc/85/88/34/1007858834.db2.gz HLUNZJTVGOAULJ-GFCCVEGCSA-N 0 2 403.891 3.833 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000535926846 1007948294 /nfs/dbraw/zinc/94/82/94/1007948294.db2.gz ADAHUMWICXHOGQ-CHWSQXEVSA-N 0 2 406.389 3.663 20 0 HHADLN CC(C)Oc1cc(Br)ccc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535928822 1007952867 /nfs/dbraw/zinc/95/28/67/1007952867.db2.gz JIHSCIMNVMSQPC-UHFFFAOYSA-N 0 2 419.304 3.824 20 0 HHADLN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000535930154 1007955680 /nfs/dbraw/zinc/95/56/80/1007955680.db2.gz MJYHESYGJRBKKK-SNVBAGLBSA-N 0 2 421.295 3.741 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cc1OC ZINC000535990478 1008029768 /nfs/dbraw/zinc/02/97/68/1008029768.db2.gz CQNHHZJIZKTIJZ-UHFFFAOYSA-N 0 2 408.220 3.545 20 0 HHADLN CCC(=O)Nc1ccc(NS(=O)(=O)c2cc(F)c(Br)cc2F)cc1 ZINC000535991459 1008030896 /nfs/dbraw/zinc/03/08/96/1008030896.db2.gz CHZANJHLXLCKLN-UHFFFAOYSA-N 0 2 419.247 3.877 20 0 HHADLN O=S(=O)(Nc1cc(F)c(F)c(F)c1)c1cc(F)c(Br)cc1F ZINC000535991714 1008031107 /nfs/dbraw/zinc/03/11/07/1008031107.db2.gz YJEBFYYJMNVCPA-UHFFFAOYSA-N 0 2 402.138 3.945 20 0 HHADLN COc1ccc(CN2C[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3O)CC2=O)cc1 ZINC000536094973 1008117366 /nfs/dbraw/zinc/11/73/66/1008117366.db2.gz KWIKHPJAEFYROR-GFCCVEGCSA-N 0 2 409.269 3.695 20 0 HHADLN O=C(c1ccc(Oc2ccc(F)cc2F)cc1)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000536097479 1008120764 /nfs/dbraw/zinc/12/07/64/1008120764.db2.gz BBETYDLGYNKCJY-UHFFFAOYSA-N 0 2 400.385 3.601 20 0 HHADLN O=S(=O)(Nc1cccc2c1OCCO2)c1cc(Br)ccc1Cl ZINC000533893636 1008187016 /nfs/dbraw/zinc/18/70/16/1008187016.db2.gz CNEIYTYVUWZBHV-UHFFFAOYSA-N 0 2 404.669 3.675 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3ccc(C(F)F)cc3)s2)c1 ZINC000518250284 1008225510 /nfs/dbraw/zinc/22/55/10/1008225510.db2.gz YKNKEGFAMAGKFL-UHFFFAOYSA-N 0 2 411.455 3.876 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000540043796 1008253717 /nfs/dbraw/zinc/25/37/17/1008253717.db2.gz FTQPGLDRFDVZMW-UHFFFAOYSA-N 0 2 420.494 3.719 20 0 HHADLN O=C(COc1ccc(F)cc1Br)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000518322107 1008260026 /nfs/dbraw/zinc/26/00/26/1008260026.db2.gz AKTPGYZMZKTVMG-UHFFFAOYSA-N 0 2 409.190 3.530 20 0 HHADLN COc1c(NS(=O)(=O)c2ccc(Cl)cc2Cl)cc(Cl)cc1C(N)=O ZINC000518390161 1008285805 /nfs/dbraw/zinc/28/58/05/1008285805.db2.gz JOCNNNYQJFPQLE-UHFFFAOYSA-N 0 2 409.678 3.555 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(-c2noc(C(F)F)n2)cc1 ZINC000540164699 1008318042 /nfs/dbraw/zinc/31/80/42/1008318042.db2.gz LFPSPJDAYGGMJW-UHFFFAOYSA-N 0 2 417.397 3.657 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)cc1OCC(F)F ZINC000540212330 1008337864 /nfs/dbraw/zinc/33/78/64/1008337864.db2.gz AOWJWHUDCPZDMB-UHFFFAOYSA-N 0 2 423.796 3.710 20 0 HHADLN O=C(Cc1cccs1)Nc1ccccc1NS(=O)(=O)c1c[nH]c2ncccc12 ZINC000518603908 1008362234 /nfs/dbraw/zinc/36/22/34/1008362234.db2.gz RPXUQCCMQZAYIU-UHFFFAOYSA-N 0 2 412.496 3.606 20 0 HHADLN COCc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cc1 ZINC000540335303 1008385910 /nfs/dbraw/zinc/38/59/10/1008385910.db2.gz CAYNCCTVPWTCBN-UHFFFAOYSA-N 0 2 409.920 3.730 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1ccc(Cl)c(F)c1)c1cc(F)ccc1F ZINC000518757391 1008415518 /nfs/dbraw/zinc/41/55/18/1008415518.db2.gz BMFFHTDBQUTJQG-UHFFFAOYSA-N 0 2 401.797 3.803 20 0 HHADLN C[C@@H](Oc1ccc(Br)cc1)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000518787123 1008420341 /nfs/dbraw/zinc/42/03/41/1008420341.db2.gz MUFRCCDVUMRSJD-SECBINFHSA-N 0 2 410.318 3.857 20 0 HHADLN O=S(=O)(Nc1ccc(-n2ccnc2)cc1)c1cc(F)c(Br)cc1F ZINC000545438921 1008550960 /nfs/dbraw/zinc/55/09/60/1008550960.db2.gz SGOSFAMPOHXBFM-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN O=S(=O)(NC1(C(F)(F)F)CCOCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000545470208 1008577743 /nfs/dbraw/zinc/57/77/43/1008577743.db2.gz HYRNUFVXENUASX-UHFFFAOYSA-N 0 2 411.751 3.749 20 0 HHADLN CS(=O)(=O)c1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000545469925 1008577866 /nfs/dbraw/zinc/57/78/66/1008577866.db2.gz BVCNVZNGKQATRZ-UHFFFAOYSA-N 0 2 414.719 3.851 20 0 HHADLN CCn1c(Cc2ccccc2Cl)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000549039659 1008607328 /nfs/dbraw/zinc/60/73/28/1008607328.db2.gz GXQIRTKSFWIABE-UHFFFAOYSA-N 0 2 414.922 3.889 20 0 HHADLN O=S(=O)(Nc1cccc(I)c1)c1cc(F)c(F)cc1F ZINC000519228425 1008634626 /nfs/dbraw/zinc/63/46/26/1008634626.db2.gz QLXHJSTXHGPQAU-UHFFFAOYSA-N 0 2 413.158 3.509 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3c(C)cc(C)cc3OC)s2)c1 ZINC000519300795 1008712613 /nfs/dbraw/zinc/71/26/13/1008712613.db2.gz RPLUWIYFBGSFNV-UHFFFAOYSA-N 0 2 419.528 3.564 20 0 HHADLN Cc1cc(NS(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)nn1-c1ccccc1 ZINC000543160522 1008733549 /nfs/dbraw/zinc/73/35/49/1008733549.db2.gz JYNBJXXJTGATHE-UHFFFAOYSA-N 0 2 412.446 3.917 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2F)cc1-c1nnnn1C1CC1 ZINC000543165231 1008740526 /nfs/dbraw/zinc/74/05/26/1008740526.db2.gz WTTIZHRMBZEVMT-UHFFFAOYSA-N 0 2 407.858 3.577 20 0 HHADLN O=S(=O)(Cc1cc(-c2ccc(F)cc2)no1)Nc1ccn(Cc2ccccc2)n1 ZINC000543165387 1008741300 /nfs/dbraw/zinc/74/13/00/1008741300.db2.gz FPZHMQUMQHMICN-UHFFFAOYSA-N 0 2 412.446 3.667 20 0 HHADLN CCOc1ccc2nc(NS(=O)(=O)c3ccccc3OCCOC)sc2c1 ZINC000545857284 1008944073 /nfs/dbraw/zinc/94/40/73/1008944073.db2.gz KZRDOCLICILCCG-UHFFFAOYSA-N 0 2 408.501 3.521 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3cnc(N4CCCC[C@H]4C)c(C)c3)cc12 ZINC000545858401 1008945123 /nfs/dbraw/zinc/94/51/23/1008945123.db2.gz CRRIVLNVVCKUFS-CQSZACIVSA-N 0 2 415.519 3.668 20 0 HHADLN COC(=O)Cc1sc(NS(=O)(=O)Cc2ccccc2C)nc1-c1ccccc1 ZINC000545859457 1008946321 /nfs/dbraw/zinc/94/63/21/1008946321.db2.gz FMJSSOVTXHOXMR-UHFFFAOYSA-N 0 2 416.524 3.776 20 0 HHADLN O=S(=O)(Nc1ccccc1S(=O)(=O)Nc1ccccc1)c1ccc(F)c(F)c1 ZINC000545922598 1008998580 /nfs/dbraw/zinc/99/85/80/1008998580.db2.gz WMWJDLYLNMUAMH-UHFFFAOYSA-N 0 2 424.450 3.566 20 0 HHADLN Cn1nc(CC(C)(C)C)cc1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000546083803 1009107165 /nfs/dbraw/zinc/10/71/65/1009107165.db2.gz HJBQZWOSTYZMDZ-UHFFFAOYSA-N 0 2 422.295 3.850 20 0 HHADLN O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2ncc(-c3ccccc3F)s2)c1 ZINC000549586498 1009213390 /nfs/dbraw/zinc/21/33/90/1009213390.db2.gz FIFQYFXZOZIXLV-UHFFFAOYSA-N 0 2 417.487 3.642 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCCc3c(C)[nH]c4ccccc43)s[nH]2)c1 ZINC000543615466 1009219589 /nfs/dbraw/zinc/21/95/89/1009219589.db2.gz FADYGYILEJNGTA-UHFFFAOYSA-N 0 2 407.499 3.790 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCc4ccc(Cl)cc4C3)s[nH]2)c1 ZINC000543615258 1009219613 /nfs/dbraw/zinc/21/96/13/1009219613.db2.gz UTFCPHUCJIWEBY-UHFFFAOYSA-N 0 2 400.891 3.879 20 0 HHADLN CCCCSc1ccc(C(=O)NCCCc2n[nH]c(=O)[nH]2)cc1C(F)(F)F ZINC000546202530 1009229771 /nfs/dbraw/zinc/22/97/71/1009229771.db2.gz JKZHBAMDKLNWJX-UHFFFAOYSA-N 0 2 402.442 3.784 20 0 HHADLN CC[C@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1c(C)nn(C)c1C ZINC000543655191 1009260829 /nfs/dbraw/zinc/26/08/29/1009260829.db2.gz DMRLVVWWLGLYFX-AWEZNQCLSA-N 0 2 404.927 3.904 20 0 HHADLN COc1ccccc1O[C@@H](C)CNC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000543655943 1009262245 /nfs/dbraw/zinc/26/22/45/1009262245.db2.gz JQMQCXFAAYPCJV-LBPRGKRZSA-N 0 2 418.906 3.878 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCc1ccc(Cn2ccnc2)cc1 ZINC000543659131 1009267410 /nfs/dbraw/zinc/26/74/10/1009267410.db2.gz XRAOBIYBQIVTEB-UHFFFAOYSA-N 0 2 424.917 3.847 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ccccc3OCC(F)(F)F)cc12 ZINC000546536430 1009558512 /nfs/dbraw/zinc/55/85/12/1009558512.db2.gz DQGNRVKYQJTMLG-UHFFFAOYSA-N 0 2 401.366 3.527 20 0 HHADLN COC(=O)c1ccc(Br)c(C)c1NS(=O)(=O)c1ccccc1Cl ZINC000546599273 1009621428 /nfs/dbraw/zinc/62/14/28/1009621428.db2.gz GXTNPFUOBYHYJI-UHFFFAOYSA-N 0 2 418.696 3.998 20 0 HHADLN COc1cc[nH+]c2c([N-]S(=O)(=O)Cc3cc(-c4ccc(F)cc4)no3)cccc12 ZINC000544101134 1009712236 /nfs/dbraw/zinc/71/22/36/1009712236.db2.gz SDMLCVHIMKNEAQ-UHFFFAOYSA-N 0 2 413.430 3.979 20 0 HHADLN O=C(c1ccc(Oc2ccc(F)c(F)c2)cc1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000550158393 1009739289 /nfs/dbraw/zinc/73/92/89/1009739289.db2.gz UYMBTQNNEZMCGH-CYBMUJFWSA-N 0 2 400.385 3.601 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccc(F)cc2)cc1OCC ZINC000550404894 1009912954 /nfs/dbraw/zinc/91/29/54/1009912954.db2.gz RUKZGRQYQPPEEN-UHFFFAOYSA-N 0 2 419.478 3.918 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc2nc(C3CC3)sc2c1 ZINC000520915609 1009969576 /nfs/dbraw/zinc/96/95/76/1009969576.db2.gz DMAKJPXJZULTCC-UHFFFAOYSA-N 0 2 406.485 3.971 20 0 HHADLN CCc1ccccc1-n1cc([O-])c(C(=O)N2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000544346734 1009971844 /nfs/dbraw/zinc/97/18/44/1009971844.db2.gz FWNKFYHYGQAEEC-UHFFFAOYSA-N 0 2 407.518 3.669 20 0 HHADLN CC(C)NC(=O)CSc1ccccc1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000520966487 1010011146 /nfs/dbraw/zinc/01/11/46/1010011146.db2.gz PCFPXENISJEJNZ-UHFFFAOYSA-N 0 2 418.569 3.558 20 0 HHADLN CCOC(=O)c1cccc(S(=O)(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)c1 ZINC000521026244 1010059954 /nfs/dbraw/zinc/05/99/54/1010059954.db2.gz FOQVKCYNRCADBN-UHFFFAOYSA-N 0 2 424.478 3.661 20 0 HHADLN C[C@H](CC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)NC(=O)C1CCCCC1 ZINC000521085410 1010101347 /nfs/dbraw/zinc/10/13/47/1010101347.db2.gz UEBAWCPQEAMOHT-GFCCVEGCSA-N 0 2 406.939 3.694 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(-c3nc([C@@H]4CCCO4)no3)ccc2F)cc1 ZINC000547187037 1010130004 /nfs/dbraw/zinc/13/00/04/1010130004.db2.gz HMHCOUHODQPDMW-INIZCTEOSA-N 0 2 419.434 3.537 20 0 HHADLN CCc1noc2ncc(S(=O)(=O)Nc3ncc(Cc4ccc(F)cc4)s3)cc12 ZINC000547271002 1010216745 /nfs/dbraw/zinc/21/67/45/1010216745.db2.gz XZMSTABOZXYSNF-UHFFFAOYSA-N 0 2 418.475 3.772 20 0 HHADLN CCOC(=O)c1ccc(F)c(C)c1NS(=O)(=O)c1ccc(OC)c2ncccc12 ZINC000547305757 1010245384 /nfs/dbraw/zinc/24/53/84/1010245384.db2.gz KLYMZYPPLRLELO-UHFFFAOYSA-N 0 2 418.446 3.668 20 0 HHADLN Cn1ccnc1[C@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccccc1 ZINC000544635210 1010258052 /nfs/dbraw/zinc/25/80/52/1010258052.db2.gz GEQARGOHOUMRSN-MRXNPFEDSA-N 0 2 424.917 3.925 20 0 HHADLN CCCCn1cc(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c(C)n1 ZINC000544636051 1010260535 /nfs/dbraw/zinc/26/05/35/1010260535.db2.gz HGSVAVFYCUIRNT-UHFFFAOYSA-N 0 2 404.927 3.907 20 0 HHADLN C[C@@H](O)C[C@H](CNC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccccc1 ZINC000544637269 1010261662 /nfs/dbraw/zinc/26/16/62/1010261662.db2.gz BYGVNZJFIOELKM-UKRRQHHQSA-N 0 2 416.934 3.957 20 0 HHADLN C[C@@H]1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)C[C@H]1n1ccnc1 ZINC000544638531 1010262946 /nfs/dbraw/zinc/26/29/46/1010262946.db2.gz BPFZYVQQZXBFBM-IUODEOHRSA-N 0 2 402.911 3.592 20 0 HHADLN Cc1noc(C2CCC(NC(=O)N=c3nc(-c4ccccc4Cl)[nH]s3)CC2)n1 ZINC000544638737 1010263233 /nfs/dbraw/zinc/26/32/33/1010263233.db2.gz MAHOAYDSFCAQRK-UHFFFAOYSA-N 0 2 418.910 3.820 20 0 HHADLN Cn1cc([C@H](NC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)C(C)(C)C)cn1 ZINC000544638862 1010263613 /nfs/dbraw/zinc/26/36/13/1010263613.db2.gz QZTSTZVOSFASCI-AWEZNQCLSA-N 0 2 404.927 3.923 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)=N1 ZINC000544651374 1010274934 /nfs/dbraw/zinc/27/49/34/1010274934.db2.gz GGKYWEZMDOKFOW-NQIIRXRSSA-N 0 2 409.461 3.930 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cccc(F)c2F)nc1C1CCCC1 ZINC000544668190 1010286174 /nfs/dbraw/zinc/28/61/74/1010286174.db2.gz MCFALPGNVJEFAC-UHFFFAOYSA-N 0 2 402.444 3.666 20 0 HHADLN Cn1nc(-c2cc(F)cc(F)c2)cc1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000551020175 1010321228 /nfs/dbraw/zinc/32/12/28/1010321228.db2.gz HOKFZFKUTMMVBS-UHFFFAOYSA-N 0 2 401.797 3.959 20 0 HHADLN CCOc1cc(C)ccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000551110851 1010376069 /nfs/dbraw/zinc/37/60/69/1010376069.db2.gz BUZQBRVFEGDORL-UHFFFAOYSA-N 0 2 413.879 3.643 20 0 HHADLN O=C(NCC(F)(F)F)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000551113931 1010378259 /nfs/dbraw/zinc/37/82/59/1010378259.db2.gz MXOONBVPKMYLEM-UHFFFAOYSA-N 0 2 410.776 3.572 20 0 HHADLN CC(C)n1cc(C(=O)N=c2nc(-c3cccc(Oc4ccccc4)c3)[nH]s2)nn1 ZINC000551149114 1010399977 /nfs/dbraw/zinc/39/99/77/1010399977.db2.gz WYTOIGVQVYJHOH-UHFFFAOYSA-N 0 2 406.471 3.844 20 0 HHADLN COc1cc(Br)cc(S(=O)(=O)Nc2cn(-c3ccccc3)nc2C)c1 ZINC000544845210 1010431026 /nfs/dbraw/zinc/43/10/26/1010431026.db2.gz QXXMGQSCGNRDTF-UHFFFAOYSA-N 0 2 422.304 3.753 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1OC(C)C ZINC000544847346 1010432710 /nfs/dbraw/zinc/43/27/10/1010432710.db2.gz RERCIPWOYITSCN-UHFFFAOYSA-N 0 2 401.488 3.528 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@@H]1CCCOc2cc(F)ccc21 ZINC000547860243 1010454991 /nfs/dbraw/zinc/45/49/91/1010454991.db2.gz GRLVMILTQWPODT-CYBMUJFWSA-N 0 2 402.451 3.591 20 0 HHADLN COC(=O)c1cc(NS(=O)(=O)c2cc(C)c(F)cc2F)ccc1Br ZINC000548030363 1010507329 /nfs/dbraw/zinc/50/73/29/1010507329.db2.gz SAQQGYVPULMKDE-UHFFFAOYSA-N 0 2 420.231 3.623 20 0 HHADLN CC1(C)CC(=O)c2cc(C(=O)Nc3nc(-c4ccccc4Cl)n[nH]3)c(=O)[nH]c2C1 ZINC000521650672 1010524904 /nfs/dbraw/zinc/52/49/04/1010524904.db2.gz WKHGGAYNRYOWAR-UHFFFAOYSA-N 0 2 411.849 3.633 20 0 HHADLN O=S(=O)(Nc1noc(-c2cccs2)n1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000548147103 1010544517 /nfs/dbraw/zinc/54/45/17/1010544517.db2.gz YJBDDNIFCARVSV-UHFFFAOYSA-N 0 2 409.798 4.271 20 0 HHADLN O=S(=O)(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc2ncsc2c1 ZINC000548150521 1010545910 /nfs/dbraw/zinc/54/59/10/1010545910.db2.gz OESWTQLVGTXFGN-UHFFFAOYSA-N 0 2 404.904 3.995 20 0 HHADLN Cc1ccccc1[C@H](C)N(CC(C)C)C(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000551435579 1010584653 /nfs/dbraw/zinc/58/46/53/1010584653.db2.gz OMDQENLRQBYRAM-HNNXBMFYSA-N 0 2 402.564 3.750 20 0 HHADLN Cc1ccnc2c1cccc2S(=O)(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000548297347 1010585178 /nfs/dbraw/zinc/58/51/78/1010585178.db2.gz NTQOINHAFYNHJB-GOSISDBHSA-N 0 2 419.510 3.854 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)c2ccccc2n1C ZINC000551471928 1010607829 /nfs/dbraw/zinc/60/78/29/1010607829.db2.gz XMGPZMMNTNFGPV-UHFFFAOYSA-N 0 2 401.879 3.522 20 0 HHADLN CC(C)S(=O)(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000551475103 1010610162 /nfs/dbraw/zinc/61/01/62/1010610162.db2.gz MSTPUYFXYSNAPQ-UHFFFAOYSA-N 0 2 405.900 3.603 20 0 HHADLN Cc1ccnc2c1cccc2S(=O)(=O)Nc1nc(-c2cccc(Cl)c2)ns1 ZINC000548608008 1010680054 /nfs/dbraw/zinc/68/00/54/1010680054.db2.gz BIARXKMHBFPVPI-UHFFFAOYSA-N 0 2 416.915 3.938 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)ccc1N(C)C ZINC000521897019 1010694284 /nfs/dbraw/zinc/69/42/84/1010694284.db2.gz DEAFNIMYDXTCPX-UHFFFAOYSA-N 0 2 403.287 3.647 20 0 HHADLN CN1C(=O)COc2cc(NS(=O)(=O)c3c(Cl)cccc3C(F)(F)F)ccc21 ZINC000548773012 1010727559 /nfs/dbraw/zinc/72/75/59/1010727559.db2.gz PJXFXWZVGVYDTL-UHFFFAOYSA-N 0 2 420.796 3.515 20 0 HHADLN Cc1ccc(-c2nc(S(=O)(=O)[C@@H](C)C(=O)Nc3ccc(C)cc3Cl)n[nH]2)cc1 ZINC000521947366 1010730097 /nfs/dbraw/zinc/73/00/97/1010730097.db2.gz IIVXNVMHGGENQR-ZDUSSCGKSA-N 0 2 418.906 3.543 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1CSc2ccccc21 ZINC000522769445 1011205340 /nfs/dbraw/zinc/20/53/40/1011205340.db2.gz JIMBLSUUPSCYGW-HNNXBMFYSA-N 0 2 417.537 3.772 20 0 HHADLN CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)s1 ZINC000536129755 1011252887 /nfs/dbraw/zinc/25/28/87/1011252887.db2.gz CJXHHXXASFJLFM-UHFFFAOYSA-N 0 2 423.585 3.863 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cc(-c2ncco2)ccc1C ZINC000536198303 1011341598 /nfs/dbraw/zinc/34/15/98/1011341598.db2.gz NLKYVORDWVCBPR-UHFFFAOYSA-N 0 2 406.847 3.891 20 0 HHADLN CCNC(=O)c1cc(NS(=O)(=O)c2cc(Cl)ccc2C)nc2ccccc21 ZINC000536308706 1011501139 /nfs/dbraw/zinc/50/11/39/1011501139.db2.gz QCJHJRWUYSWEKI-UHFFFAOYSA-N 0 2 403.891 3.747 20 0 HHADLN C[C@H]1Cc2cc(S(=O)(=O)Nc3ccnn3Cc3ccccc3F)cc(Cl)c2O1 ZINC000523044702 1011512311 /nfs/dbraw/zinc/51/23/11/1011512311.db2.gz AVSFPDNTEYDSBP-LBPRGKRZSA-N 0 2 421.881 3.848 20 0 HHADLN Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000540912706 1011582129 /nfs/dbraw/zinc/58/21/29/1011582129.db2.gz GMRNMVGHZUBKEZ-UHFFFAOYSA-N 0 2 416.952 3.526 20 0 HHADLN Cc1nccn1C[C@H](C)CNC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000536482118 1011694089 /nfs/dbraw/zinc/69/40/89/1011694089.db2.gz OFMBZPVMHAJBGD-LIVBEALHSA-N 0 2 421.948 3.612 20 0 HHADLN COc1ccc(C[C@H](C)CNC(=O)N=c2nc(-c3ccccc3)[nH]s2)cc1OC ZINC000536485807 1011697048 /nfs/dbraw/zinc/69/70/48/1011697048.db2.gz LVAZWNOWTWMBOE-AWEZNQCLSA-N 0 2 412.515 3.645 20 0 HHADLN CCc1nc2cc(S(=O)(=O)Nc3nc(C(C)(C)C)c(C(=O)OC)s3)ccc2o1 ZINC000541070563 1011709459 /nfs/dbraw/zinc/70/94/59/1011709459.db2.gz LIVUPFUUGNMEJY-UHFFFAOYSA-N 0 2 423.516 3.732 20 0 HHADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cn2)c1 ZINC000541072221 1011711446 /nfs/dbraw/zinc/71/14/46/1011711446.db2.gz JDMQIQVGLKYRQI-UHFFFAOYSA-N 0 2 402.403 3.600 20 0 HHADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 ZINC000541081677 1011722616 /nfs/dbraw/zinc/72/26/16/1011722616.db2.gz UYXOFOPYNPGWOF-UHFFFAOYSA-N 0 2 424.450 3.600 20 0 HHADLN O=C(Nc1nnc(Cc2cccc(F)c2)s1)c1cccc(Br)c1O ZINC000523301456 1011780537 /nfs/dbraw/zinc/78/05/37/1011780537.db2.gz RBQFGCQWNXRILK-UHFFFAOYSA-N 0 2 408.252 3.988 20 0 HHADLN CCOC(=O)c1ccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)cn1 ZINC000541149516 1011808485 /nfs/dbraw/zinc/80/84/85/1011808485.db2.gz LBRARDLOWURXPE-UHFFFAOYSA-N 0 2 415.247 3.663 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cc(F)cc(C(=O)OC)c2)cnn1-c1ccccc1 ZINC000541164391 1011830414 /nfs/dbraw/zinc/83/04/14/1011830414.db2.gz HKMXYVOXXRXICZ-UHFFFAOYSA-N 0 2 417.462 3.551 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)nn1-c1cccc(F)c1 ZINC000541304454 1012008079 /nfs/dbraw/zinc/00/80/79/1012008079.db2.gz WXFCVPFALZYJTE-UHFFFAOYSA-N 0 2 411.405 3.765 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccsc2C(=O)OC)cnn1-c1cccc(F)c1 ZINC000541307024 1012013672 /nfs/dbraw/zinc/01/36/72/1012013672.db2.gz HNQGNADYBPLBEW-UHFFFAOYSA-N 0 2 423.491 3.613 20 0 HHADLN Cc1ccc2cccc(S(=O)(=O)Nc3ccccc3-c3nnnn3C(C)C)c2n1 ZINC000541307418 1012015219 /nfs/dbraw/zinc/01/52/19/1012015219.db2.gz ZAVYTVNRQWADMN-UHFFFAOYSA-N 0 2 408.487 3.578 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)Cc1csc(Cc2ccccc2)n1 ZINC000551946876 1012030372 /nfs/dbraw/zinc/03/03/72/1012030372.db2.gz SOFIAMLZJNHERA-UHFFFAOYSA-N 0 2 405.483 3.714 20 0 HHADLN CC(=O)Nc1cc(C(=O)Nc2cc(-c3n[nH]c(=O)[nH]3)ccc2C)cc(C(F)(F)F)c1 ZINC000552029327 1012055614 /nfs/dbraw/zinc/05/56/14/1012055614.db2.gz KHPKGDFGNUIBPV-UHFFFAOYSA-N 0 2 419.363 3.715 20 0 HHADLN Cc1nc(-c2ccccc2)c(NS(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)s1 ZINC000536900099 1012158988 /nfs/dbraw/zinc/15/89/88/1012158988.db2.gz IRWFUUVOYPFFEM-UHFFFAOYSA-N 0 2 422.553 3.631 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@H](c3ccccc3)c3ccccn3)s[nH]2)c1 ZINC000541758021 1012618088 /nfs/dbraw/zinc/61/80/88/1012618088.db2.gz WCFIWHJRTRZQHB-LJQANCHMSA-N 0 2 417.494 3.942 20 0 HHADLN CCC(CC)(C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1ccc(OC)c(OC)c1 ZINC000552624536 1012626845 /nfs/dbraw/zinc/62/68/45/1012626845.db2.gz MLKIKIIOHJRJRI-UHFFFAOYSA-N 0 2 410.474 3.891 20 0 HHADLN COC(=O)c1ccc(CN(C)C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cc1 ZINC000541798211 1012675078 /nfs/dbraw/zinc/67/50/78/1012675078.db2.gz FWNVAOLSYONPBB-UHFFFAOYSA-N 0 2 416.890 3.731 20 0 HHADLN Cn1ccnc1[C@@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccccc1 ZINC000541797837 1012675395 /nfs/dbraw/zinc/67/53/95/1012675395.db2.gz QVJDQUAQQFIIJC-INIZCTEOSA-N 0 2 424.917 3.925 20 0 HHADLN COC[C@H](NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)c1ccc(F)cc1 ZINC000541800456 1012677803 /nfs/dbraw/zinc/67/78/03/1012677803.db2.gz MFIQRQGSWIETMZ-HNNXBMFYSA-N 0 2 406.870 3.929 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc(Br)c1C ZINC000524018878 1012765096 /nfs/dbraw/zinc/76/50/96/1012765096.db2.gz YGZRKRLIFIIDHG-UHFFFAOYSA-N 0 2 402.266 3.555 20 0 HHADLN O=C(Nc1nncn1-c1ccccc1)c1[nH]nc(-c2ccccc2)c1Br ZINC000537310583 1012769424 /nfs/dbraw/zinc/76/94/24/1012769424.db2.gz GPEFOEMTNNRSOK-UHFFFAOYSA-N 0 2 409.247 3.672 20 0 HHADLN Cc1ccc2c(n1)[nH]cc(C(=O)N1CCO[C@H](c3ccccc3C(F)(F)F)C1)c2=O ZINC000541978281 1012847258 /nfs/dbraw/zinc/84/72/58/1012847258.db2.gz LKOSSBBGHNMXJD-KRWDZBQOSA-N 0 2 417.387 3.876 20 0 HHADLN CN(C)c1ccc(Br)c(S(=O)(=O)Nc2cnc3c(c2)CCCC3)c1 ZINC000542003409 1012884674 /nfs/dbraw/zinc/88/46/74/1012884674.db2.gz PFXVAIZMUMVUKV-UHFFFAOYSA-N 0 2 410.337 3.590 20 0 HHADLN Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c1 ZINC000524138615 1012923161 /nfs/dbraw/zinc/92/31/61/1012923161.db2.gz YSSLCUOKNRILCX-UHFFFAOYSA-N 0 2 424.526 3.692 20 0 HHADLN COc1cc(S(=O)(=O)Nc2[nH]nc(-c3ccccc3)c2C)ccc1Br ZINC000552950266 1012936769 /nfs/dbraw/zinc/93/67/69/1012936769.db2.gz IYOROTYMJZXQCU-UHFFFAOYSA-N 0 2 422.304 3.957 20 0 HHADLN C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)[C@@H]2CCCC[C@H]21 ZINC000542061365 1012978712 /nfs/dbraw/zinc/97/87/12/1012978712.db2.gz WDBJFTRQCNEGRO-XOKHGSTOSA-N 0 2 405.545 3.595 20 0 HHADLN CC(=O)N1CCc2cc(S(=O)(=O)Nc3cccnc3Oc3ccccc3)ccc21 ZINC000614843451 1071760305 /nfs/dbraw/zinc/76/03/05/1071760305.db2.gz SPRPWFGEIJSBJO-UHFFFAOYSA-N 0 2 409.467 3.584 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1Cl ZINC000729665704 1071781261 /nfs/dbraw/zinc/78/12/61/1071781261.db2.gz LIVYUTBDBWPHKT-UHFFFAOYSA-N 0 2 422.768 3.560 20 0 HHADLN O=C(CCSc1ccc2c(c1)OCCO2)N=c1nc(-c2ccsc2)[nH]s1 ZINC000488215366 1072130449 /nfs/dbraw/zinc/13/04/49/1072130449.db2.gz HZCZIJISBQGFEB-UHFFFAOYSA-N 0 2 405.526 3.581 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc3ccccc3n2)ccc1Br ZINC000729811552 1072126744 /nfs/dbraw/zinc/12/67/44/1072126744.db2.gz QCSNXTKMXYKJPR-UHFFFAOYSA-N 0 2 421.272 3.585 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)c(OC)c1 ZINC000488222015 1072136633 /nfs/dbraw/zinc/13/66/33/1072136633.db2.gz QNQVKPMOSNSTQC-UHFFFAOYSA-N 0 2 406.485 3.637 20 0 HHADLN CCOc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000488230699 1072141372 /nfs/dbraw/zinc/14/13/72/1072141372.db2.gz LLIYZCDJLHYWSH-CQSZACIVSA-N 0 2 411.907 3.955 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)cc1O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000488235475 1072151075 /nfs/dbraw/zinc/15/10/75/1072151075.db2.gz RIALMTRDRMGIJW-NSHDSACASA-N 0 2 418.298 3.915 20 0 HHADLN O=C(Nc1ccc(Br)cc1Cl)c1c[nH]n(-c2ccc(F)cc2)c1=O ZINC000536739487 1072194071 /nfs/dbraw/zinc/19/40/71/1072194071.db2.gz TYOSHUSEXKPUSK-LBPRGKRZSA-N 0 2 410.630 3.829 20 0 HHADLN CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)[nH]n1 ZINC000760322874 1072247693 /nfs/dbraw/zinc/24/76/93/1072247693.db2.gz NXPACWYFCLDWCN-SNVBAGLBSA-N 0 2 404.414 3.615 20 0 HHADLN Cc1cccc(CNC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccco2)c3=O)c1 ZINC000912748281 1072275565 /nfs/dbraw/zinc/27/55/65/1072275565.db2.gz LRIDEWUWQRNTQZ-UHFFFAOYSA-N 0 2 405.479 3.565 20 0 HHADLN O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(CNC(=O)C(F)(F)F)o1 ZINC001126789392 1072462165 /nfs/dbraw/zinc/46/21/65/1072462165.db2.gz SKUFOCSGYPZNGR-NXEZZACHSA-N 0 2 400.319 3.557 20 0 HHADLN O=S(=O)(Nc1cnccc1N1CCCC1)c1ccc(Cl)cc1Br ZINC000571134503 1072573679 /nfs/dbraw/zinc/57/36/79/1072573679.db2.gz OJCLMCTWVHJFOE-UHFFFAOYSA-N 0 2 416.728 3.899 20 0 HHADLN CCCCn1cc(C(=O)NCC[C@H]2C(=O)N(Cc3ccccc3C)N=C2CC)c(C)n1 ZINC000571721083 1072710723 /nfs/dbraw/zinc/71/07/23/1072710723.db2.gz MXHNXFGEOSEHSU-HXUWFJFHSA-N 0 2 423.561 3.845 20 0 HHADLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)n1 ZINC000479132034 1072741808 /nfs/dbraw/zinc/74/18/08/1072741808.db2.gz OQZDSLDFHBJQIU-UHFFFAOYSA-N 0 2 417.922 3.865 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccccc2Cl)ns1)c1ccc2ncsc2c1 ZINC000479135766 1072747795 /nfs/dbraw/zinc/74/77/95/1072747795.db2.gz TVRMMWWGSXLPHV-UHFFFAOYSA-N 0 2 408.917 3.691 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nc(C)cc(C2CC2)n1 ZINC000479135915 1072747886 /nfs/dbraw/zinc/74/78/86/1072747886.db2.gz POGJXGVODCLSLM-GFCCVEGCSA-N 0 2 411.911 3.530 20 0 HHADLN O=S(=O)(Nc1nccc(-c2ccccc2)n1)c1cc(Br)ccc1F ZINC000479136964 1072748876 /nfs/dbraw/zinc/74/88/76/1072748876.db2.gz UKEBVGRRRLVKHH-UHFFFAOYSA-N 0 2 408.252 3.846 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CCC2 ZINC000479117096 1072753796 /nfs/dbraw/zinc/75/37/96/1072753796.db2.gz XTGBTCJIJQWCME-UHFFFAOYSA-N 0 2 417.918 3.962 20 0 HHADLN O=S(=O)(Nc1nnc(-c2c(F)cccc2Cl)s1)c1ccc2c(c1)CCO2 ZINC000479145440 1072766245 /nfs/dbraw/zinc/76/62/45/1072766245.db2.gz BNGKUKVCCVSAFA-UHFFFAOYSA-N 0 2 411.867 3.733 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1nccc(-c2ccco2)n1 ZINC000479147172 1072768695 /nfs/dbraw/zinc/76/86/95/1072768695.db2.gz ZBFHMZDTWXGADC-UHFFFAOYSA-N 0 2 423.878 3.606 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCc3nc4ccccc4n3C3CC3)s[nH]2)c1 ZINC000554871984 1072916550 /nfs/dbraw/zinc/91/65/50/1072916550.db2.gz IZAKIMODICBMNG-UHFFFAOYSA-N 0 2 420.498 3.642 20 0 HHADLN COCc1nnc([C@@H]2CCCCN2C(=O)Nc2cc(F)ccc2OCC2CC2)[nH]1 ZINC000554925978 1072973610 /nfs/dbraw/zinc/97/36/10/1072973610.db2.gz HURHTHYOMGVOSA-INIZCTEOSA-N 0 2 403.458 3.638 20 0 HHADLN CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cnc2onc(C)c2c1 ZINC000588622939 1073062444 /nfs/dbraw/zinc/06/24/44/1073062444.db2.gz HHWWVBLNHOGGQZ-UHFFFAOYSA-N 0 2 401.366 3.750 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2ccc(OCc3ccccc3)nc2)c(F)c1 ZINC000588629259 1073068098 /nfs/dbraw/zinc/06/80/98/1073068098.db2.gz VGCAQXLYQXOZLE-UHFFFAOYSA-N 0 2 406.410 3.748 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)[C@@H]1CCN(c2ccccc2F)C1 ZINC000555017267 1073071560 /nfs/dbraw/zinc/07/15/60/1073071560.db2.gz UKUFNKCCDMNAGJ-GFCCVEGCSA-N 0 2 402.882 3.885 20 0 HHADLN C[NH+](C)C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)c1ccc(Cl)cc1 ZINC000555113349 1073169261 /nfs/dbraw/zinc/16/92/61/1073169261.db2.gz YCUMDEJTAIARJJ-FQEVSTJZSA-N 0 2 415.969 3.827 20 0 HHADLN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccccc1O[C@H](C)C(F)(F)F ZINC000588853949 1073308306 /nfs/dbraw/zinc/30/83/06/1073308306.db2.gz MBGGQEHQMZGDEY-GFCCVEGCSA-N 0 2 417.405 3.912 20 0 HHADLN O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2c(O)cc(F)cc2F)CC1 ZINC000588926289 1073344643 /nfs/dbraw/zinc/34/46/43/1073344643.db2.gz DGVIAZBYOMUAGL-UHFFFAOYSA-N 0 2 409.820 3.704 20 0 HHADLN Cc1sc2nc(CCC(=O)Nc3nc(-c4ccccc4F)n[nH]3)[nH]c(=O)c2c1C ZINC000590405575 1073789229 /nfs/dbraw/zinc/78/92/29/1073789229.db2.gz VZGKRYILSAHQGK-UHFFFAOYSA-N 0 2 412.450 3.509 20 0 HHADLN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cn(-c2ccccc2Cl)nn1 ZINC000590838613 1074013152 /nfs/dbraw/zinc/01/31/52/1074013152.db2.gz HDKYEMAJWNPONM-UHFFFAOYSA-N 0 2 400.229 3.612 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c(F)c1 ZINC000591678835 1074478097 /nfs/dbraw/zinc/47/80/97/1074478097.db2.gz UQKBEBFKNQHAAC-UHFFFAOYSA-N 0 2 400.479 3.920 20 0 HHADLN O=S(=O)(Nc1cccnc1OCc1ccccc1)c1cnn(Cc2ccccc2)c1 ZINC000591682784 1074486275 /nfs/dbraw/zinc/48/62/75/1074486275.db2.gz IVBWJJPJRDHUHI-UHFFFAOYSA-N 0 2 420.494 3.706 20 0 HHADLN Cc1cc(-c2noc(CCC(=O)N=c3nc(-c4ccsc4)[nH]s3)n2)ccc1F ZINC000596900440 1075594496 /nfs/dbraw/zinc/59/44/96/1075594496.db2.gz LISYDYPQEMNFJR-UHFFFAOYSA-N 0 2 415.475 3.757 20 0 HHADLN COc1ccc(Br)cc1S(=O)(=O)Nc1cc(Cl)ccc1N(C)C ZINC000301492148 970955060 /nfs/dbraw/zinc/95/50/60/970955060.db2.gz BGFGKLAWEWLGPN-UHFFFAOYSA-N 0 2 419.728 3.978 20 0 HHADLN Cc1nc(-c2ccc(N3CCC[C@H]3c3nc(-c4ccccc4)n[nH]3)nc2)[nH]c(=O)c1C ZINC000301969991 971137256 /nfs/dbraw/zinc/13/72/56/971137256.db2.gz QYUREZGQNOQPRD-SFHVURJKSA-N 0 2 413.485 3.988 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3nccn(C4CC4)c3=O)cc2)s1 ZINC000302013679 971152234 /nfs/dbraw/zinc/15/22/34/971152234.db2.gz KYMLGSGLFNVAJT-UHFFFAOYSA-N 0 2 403.485 3.541 20 0 HHADLN COc1ccc(-c2nc(S(=O)(=O)CCCC(C)(C)C)n[nH]2)cc1Br ZINC000542155916 1013091999 /nfs/dbraw/zinc/09/19/99/1013091999.db2.gz UHRNTZNRVGXSFE-UHFFFAOYSA-N 0 2 416.341 3.843 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C)CC3)ccc2F)cc1 ZINC000303349688 971649046 /nfs/dbraw/zinc/64/90/46/971649046.db2.gz FPZKRPSRBFCEEB-OAHLLOKOSA-N 0 2 420.506 3.897 20 0 HHADLN CCc1cccc(Cc2cnc(NS(=O)(=O)c3cccc4c3OCCO4)s2)c1 ZINC000524297675 1013109104 /nfs/dbraw/zinc/10/91/04/1013109104.db2.gz RAZJRQTTXOATEN-UHFFFAOYSA-N 0 2 416.524 3.868 20 0 HHADLN CC[C@H](C)CN(C)C(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 ZINC000303572018 971864256 /nfs/dbraw/zinc/86/42/56/971864256.db2.gz YUJGTKUSNWCJQD-AWEZNQCLSA-N 0 2 408.495 3.753 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)s1 ZINC000537600547 1013141799 /nfs/dbraw/zinc/14/17/99/1013141799.db2.gz HWTDPQQSZTXPHW-UHFFFAOYSA-N 0 2 410.698 3.751 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1nnc(Cc2cccc(F)c2)s1 ZINC000542219478 1013169875 /nfs/dbraw/zinc/16/98/75/1013169875.db2.gz XPUKUXZDQFEJDZ-UHFFFAOYSA-N 0 2 423.539 3.538 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)=N2)c1 ZINC000303849617 972389644 /nfs/dbraw/zinc/38/96/44/972389644.db2.gz DGEIOFOHYFCKCC-MRXNPFEDSA-N 0 2 416.485 3.773 20 0 HHADLN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccccc2-c2nnnn2C(C)C)c1 ZINC000542237465 1013196276 /nfs/dbraw/zinc/19/62/76/1013196276.db2.gz VVNFXKSOXRTCCX-UHFFFAOYSA-N 0 2 408.487 3.578 20 0 HHADLN CC/N=C1\NC(=O)C(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)S1 ZINC000008209939 961478392 /nfs/dbraw/zinc/47/83/92/961478392.db2.gz DBXLWVSPPBSEBS-MRXNPFEDSA-N 0 2 415.902 3.507 20 0 HHADLN O=C(NNC(=O)c1ccc(Br)s1)c1ccc(-c2ccccc2F)o1 ZINC000008305714 961511651 /nfs/dbraw/zinc/51/16/51/961511651.db2.gz YGARILICTQTYSL-UHFFFAOYSA-N 0 2 409.236 3.985 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)Nc3ccc(F)cc3)c2)cc1 ZINC000010192536 961758443 /nfs/dbraw/zinc/75/84/43/961758443.db2.gz XNPJFDGKZYBPOJ-UHFFFAOYSA-N 0 2 416.430 3.593 20 0 HHADLN O=C(Cn1cnc2c3ccccc3oc2c1=O)Nc1cc(Cl)cc(Cl)c1O ZINC000537728695 1013290259 /nfs/dbraw/zinc/29/02/59/1013290259.db2.gz OWLRSRQYSCIFCN-UHFFFAOYSA-N 0 2 404.209 3.794 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=S)Nc1cccc(Br)c1 ZINC000011095177 962006108 /nfs/dbraw/zinc/00/61/08/962006108.db2.gz HPGWOUNZRDDEDT-UHFFFAOYSA-N 0 2 409.334 3.576 20 0 HHADLN CCc1ccc(-c2nc(C(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)cs2)cc1 ZINC000014372074 962490357 /nfs/dbraw/zinc/49/03/57/962490357.db2.gz WXRXQXPSJMVAFJ-UHFFFAOYSA-N 0 2 410.524 3.943 20 0 HHADLN COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1ccccc1SC ZINC000016130866 962955179 /nfs/dbraw/zinc/95/51/79/962955179.db2.gz OLGJKSOLZRXAPI-UHFFFAOYSA-N 0 2 416.318 3.758 20 0 HHADLN COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1Cl ZINC000017305009 963181629 /nfs/dbraw/zinc/18/16/29/963181629.db2.gz GBUXPFXWIVUHSK-UHFFFAOYSA-N 0 2 420.874 3.672 20 0 HHADLN Cc1[nH]c2ccccc2c1CC(=O)NNC(=O)c1ccc(COc2ccccc2)o1 ZINC000024663025 964043635 /nfs/dbraw/zinc/04/36/35/964043635.db2.gz IQTGQCCNURPVBZ-UHFFFAOYSA-N 0 2 403.438 3.652 20 0 HHADLN Cc1csc(C(C#N)C(=O)Cc2csc(NC(=O)c3ccccc3F)n2)n1 ZINC000048788157 964061170 /nfs/dbraw/zinc/06/11/70/964061170.db2.gz RCQIVBOZWZTSCS-CYBMUJFWSA-N 0 2 400.460 3.718 20 0 HHADLN O=S(=O)(Nc1ccc(Oc2ccncc2)cc1)c1c(Cl)nc2ccccn21 ZINC000050534423 964349286 /nfs/dbraw/zinc/34/92/86/964349286.db2.gz NFLZHWKFORWIDE-UHFFFAOYSA-N 0 2 400.847 3.976 20 0 HHADLN COCCCOc1ccccc1NS(=O)(=O)c1ccccc1OC(F)(F)F ZINC000057121019 965291903 /nfs/dbraw/zinc/29/19/03/965291903.db2.gz OTYHVJXZPQLWTB-UHFFFAOYSA-N 0 2 405.394 3.801 20 0 HHADLN O=C(NC1CCCCC1)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000057122906 965294197 /nfs/dbraw/zinc/29/41/97/965294197.db2.gz ZCGVNZXVXINRBB-UHFFFAOYSA-N 0 2 412.433 3.967 20 0 HHADLN COc1ccc(-c2csc(NS(=O)(=O)c3cccc(Cl)c3)n2)cc1OC ZINC000057719715 965529976 /nfs/dbraw/zinc/52/99/76/965529976.db2.gz CRQZSPLMFOLJPC-UHFFFAOYSA-N 0 2 410.904 3.703 20 0 HHADLN COc1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)cc1OC ZINC000057719648 965530246 /nfs/dbraw/zinc/53/02/46/965530246.db2.gz QESKTAWOZWVSAN-UHFFFAOYSA-N 0 2 410.904 3.703 20 0 HHADLN COc1ccc(-c2nc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)sc2C)cc1 ZINC000057720953 965530328 /nfs/dbraw/zinc/53/03/28/965530328.db2.gz ZZMWWTQSTXUZKO-UHFFFAOYSA-N 0 2 419.484 3.566 20 0 HHADLN Cc1csc(C(C#N)C(=O)CSc2nnc(C(C)C)n2Cc2ccco2)n1 ZINC000029964414 965576449 /nfs/dbraw/zinc/57/64/49/965576449.db2.gz YSNPMRIMEZALCZ-CQSZACIVSA-N 0 2 401.517 3.776 20 0 HHADLN CC[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1OCC(=O)N1CCCC1 ZINC000054892766 965684079 /nfs/dbraw/zinc/68/40/79/965684079.db2.gz FRVABVQLLHEGNC-IXOWOOARSA-N 0 2 411.458 3.872 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1)[C@@H]1CCCO1 ZINC000030531911 965720180 /nfs/dbraw/zinc/72/01/80/965720180.db2.gz ULOAEYAVTVMBPL-NSHDSACASA-N 0 2 421.327 3.973 20 0 HHADLN CCc1cccc(C)c1/N=C1/NC(=O)[C@H](CC(=O)NCCc2ccccc2F)S1 ZINC000055117302 965760630 /nfs/dbraw/zinc/76/06/30/965760630.db2.gz PSCAJYMACRZJRN-SFHVURJKSA-N 0 2 413.518 3.665 20 0 HHADLN Cn1cncc1Cc1nc(=O)c2sc(-c3ccc(Br)cc3)cc2[nH]1 ZINC000542688585 1013608327 /nfs/dbraw/zinc/60/83/27/1013608327.db2.gz FDBDDTRQDKUGHO-UHFFFAOYSA-N 0 2 401.289 3.738 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C)Cc3ccc(Br)o3)s[nH]2)c1 ZINC000542690708 1013609738 /nfs/dbraw/zinc/60/97/38/1013609738.db2.gz JHRCSBVUNDSXIL-UHFFFAOYSA-N 0 2 423.292 3.655 20 0 HHADLN Cc1ccc(F)c(S(=O)(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1 ZINC000055565311 965922485 /nfs/dbraw/zinc/92/24/85/965922485.db2.gz AUWKBHGRBXTGRX-UHFFFAOYSA-N 0 2 400.479 3.920 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NC[C@H](OC)c3cccc(Cl)c3)s[nH]2)c1 ZINC000542692583 1013611232 /nfs/dbraw/zinc/61/12/32/1013611232.db2.gz AYAUYNMHYRUVQC-INIZCTEOSA-N 0 2 418.906 3.798 20 0 HHADLN O=S(=O)(Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1)c1ccccc1F ZINC000055629194 965973964 /nfs/dbraw/zinc/97/39/64/965973964.db2.gz MRAMRMRMLAMLGB-UHFFFAOYSA-N 0 2 409.435 3.598 20 0 HHADLN Cc1oc(-c2cccs2)nc1C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000059003049 965989271 /nfs/dbraw/zinc/98/92/71/965989271.db2.gz ZHWRXIATUIGKPW-SNVBAGLBSA-N 0 2 401.513 3.973 20 0 HHADLN O=C(NNC(=S)Nc1cccc(Br)c1)c1cc(-c2cccs2)on1 ZINC000031530961 966043284 /nfs/dbraw/zinc/04/32/84/966043284.db2.gz DRJBQGRDVFPORQ-UHFFFAOYSA-N 0 2 423.317 3.797 20 0 HHADLN O=S(=O)(Nc1cccc(Cl)c1-n1cncn1)c1ccccc1C(F)(F)F ZINC000031669550 966080546 /nfs/dbraw/zinc/08/05/46/966080546.db2.gz MVDLVMCUXQXUSP-UHFFFAOYSA-N 0 2 402.785 3.740 20 0 HHADLN O=C(Nc1ccccc1)[C@@H](NS(=O)(=O)c1c(F)cc(F)cc1F)c1ccccc1 ZINC000060500080 966174844 /nfs/dbraw/zinc/17/48/44/966174844.db2.gz FTRVNAIXRKCNRY-SFHVURJKSA-N 0 2 420.412 3.762 20 0 HHADLN O=C(CCc1ccccc1F)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000060516367 966184695 /nfs/dbraw/zinc/18/46/95/966184695.db2.gz SELFQKCAIUATLT-UHFFFAOYSA-N 0 2 405.476 3.654 20 0 HHADLN COCCN(Cc1ccc(C)o1)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000542726110 1013637534 /nfs/dbraw/zinc/63/75/34/1013637534.db2.gz LJCJYTRJEXIGMG-UHFFFAOYSA-N 0 2 406.895 3.862 20 0 HHADLN Cc1nc(C2(NC(=O)N=c3nc(-c4cccc(Cl)c4)[nH]s3)CCCC2)no1 ZINC000542727121 1013639243 /nfs/dbraw/zinc/63/92/43/1013639243.db2.gz DYYHHUDVKMRVCA-UHFFFAOYSA-N 0 2 404.883 3.563 20 0 HHADLN COc1ccc(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c(OC)c1 ZINC000542730878 1013643292 /nfs/dbraw/zinc/64/32/92/1013643292.db2.gz YFAZDCUGWNWDBR-UHFFFAOYSA-N 0 2 404.879 3.619 20 0 HHADLN O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NOCc1ccccc1 ZINC000039578504 966506769 /nfs/dbraw/zinc/50/67/69/966506769.db2.gz HBGUKTHVBKDRBD-UHFFFAOYSA-N 0 2 420.494 3.927 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(Br)cnc2Cl)cc1Cl ZINC000041065726 966519361 /nfs/dbraw/zinc/51/93/61/966519361.db2.gz BYILMTNCNJYPQA-UHFFFAOYSA-N 0 2 412.092 3.960 20 0 HHADLN Cc1csc(C(C#N)C(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)n1 ZINC000041515928 966584545 /nfs/dbraw/zinc/58/45/45/966584545.db2.gz VLFFVGYORLGWCK-JSGCOSHPSA-N 0 2 418.316 3.752 20 0 HHADLN Cc1csc([C@@H](C#N)C(=O)[C@H]2CC(=O)N(c3ccc(Br)c(C)c3)C2)n1 ZINC000041515928 966584550 /nfs/dbraw/zinc/58/45/50/966584550.db2.gz VLFFVGYORLGWCK-JSGCOSHPSA-N 0 2 418.316 3.752 20 0 HHADLN Cc1ccc(SCC(=O)NNC(=O)c2csc(-c3ccccc3F)n2)cc1 ZINC000063664348 966921849 /nfs/dbraw/zinc/92/18/49/966921849.db2.gz VPESOGYTBXKQIV-UHFFFAOYSA-N 0 2 401.488 3.811 20 0 HHADLN Cc1cc(Br)oc1C(=O)NNC(=O)COc1cc(C)ccc1C(C)C ZINC000044280269 967179851 /nfs/dbraw/zinc/17/98/51/967179851.db2.gz REHWAPIGFNUEFX-UHFFFAOYSA-N 0 2 409.280 3.622 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)cc1 ZINC000064478074 967204466 /nfs/dbraw/zinc/20/44/66/967204466.db2.gz ASWMMLDLTYJIPQ-UHFFFAOYSA-N 0 2 402.497 3.597 20 0 HHADLN NC(=O)Nc1cccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 ZINC000065106236 967379436 /nfs/dbraw/zinc/37/94/36/967379436.db2.gz HNVQGYZFLKRGLB-UHFFFAOYSA-N 0 2 400.236 3.582 20 0 HHADLN CC[C@H]1C[C@@H](CC(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)CCO1 ZINC000542881142 1013729726 /nfs/dbraw/zinc/72/97/26/1013729726.db2.gz YUPUYYFHWMWTLK-JQWIXIFHSA-N 0 2 411.275 3.907 20 0 HHADLN COCCCn1c(=O)c2ccc(C(=O)N[C@H](c3ccccc3)C3CC3)cc2[nH]c1=S ZINC000045901851 967590526 /nfs/dbraw/zinc/59/05/26/967590526.db2.gz NDKDGOJSUKNAKF-HXUWFJFHSA-N 0 2 423.538 3.603 20 0 HHADLN CS(=O)(=O)c1ccc(F)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1 ZINC000047313036 968134565 /nfs/dbraw/zinc/13/45/65/968134565.db2.gz MZHYQGHAMQXUNP-UHFFFAOYSA-N 0 2 405.472 3.697 20 0 HHADLN COc1ccc(-c2nc(SCc3ccc4c(c3)OCCO4)[nH]c(=O)c2C#N)cc1 ZINC000065845266 968679559 /nfs/dbraw/zinc/67/95/59/968679559.db2.gz ZSZZFKGQBKLROZ-UHFFFAOYSA-N 0 2 407.451 3.793 20 0 HHADLN O=C(NNC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3)c1ccc(COc2ccccc2)o1 ZINC000065987614 968751332 /nfs/dbraw/zinc/75/13/32/968751332.db2.gz OWNGUPJDTGIQLF-OQSMONGASA-N 0 2 409.486 3.724 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCC(C)CC3)ccc2F)cc1 ZINC000098067647 969189035 /nfs/dbraw/zinc/18/90/35/969189035.db2.gz NHYORDOCHLASFZ-UHFFFAOYSA-N 0 2 406.479 3.507 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N3C[C@H](C)O[C@@H](c4ccccc4)C3)cc2[nH]c1=S ZINC000139801988 970046748 /nfs/dbraw/zinc/04/67/48/970046748.db2.gz AFBXNLHTURYYBO-IFXJQAMLSA-N 0 2 409.511 3.681 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)N3[C@H](C)CO[C@@H](c4ccccc4)[C@@H]3C)cc2[nH]c1=S ZINC000217135767 970082911 /nfs/dbraw/zinc/08/29/11/970082911.db2.gz AQFLZXBRCMAXSR-QEEYODRMSA-N 0 2 423.538 3.696 20 0 HHADLN CN(C(=O)c1ccc2c(c1)[nH]c(=S)n(Cc1ccco1)c2=O)C(C1CC1)C1CC1 ZINC000140887012 970089715 /nfs/dbraw/zinc/08/97/15/970089715.db2.gz QRBVCWAETQKILE-UHFFFAOYSA-N 0 2 409.511 3.961 20 0 HHADLN CCn1c(=O)c2ccc(C(=O)NCCCCOCc3ccccc3)cc2[nH]c1=S ZINC000140934742 970092126 /nfs/dbraw/zinc/09/21/26/970092126.db2.gz IDKDFSBKHYRHKI-UHFFFAOYSA-N 0 2 411.527 3.806 20 0 HHADLN O=S(=O)(Nc1ccc(Br)cn1)c1ccc(Br)c(F)c1 ZINC000231616635 970137953 /nfs/dbraw/zinc/13/79/53/970137953.db2.gz IZZJRYOSMSADGQ-UHFFFAOYSA-N 0 2 410.062 3.547 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CC[C@@H](c2ccccc2)C1 ZINC000148932967 970375603 /nfs/dbraw/zinc/37/56/03/970375603.db2.gz HCVXYLGPANJKOF-QGZVFWFLSA-N 0 2 413.524 3.574 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cc1F ZINC000195568400 970517920 /nfs/dbraw/zinc/51/79/20/970517920.db2.gz ZTIMFRNVDKZTHQ-UHFFFAOYSA-N 0 2 414.430 3.961 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000195596971 970538759 /nfs/dbraw/zinc/53/87/59/970538759.db2.gz FFRFSQFPJFRRAE-LBPRGKRZSA-N 0 2 404.492 3.502 20 0 HHADLN CC1CCN(c2nnc(SCc3nc(=O)c4sccc4[nH]3)n2C2CC2)CC1 ZINC000253598130 970565169 /nfs/dbraw/zinc/56/51/69/970565169.db2.gz CFRNUAUGZSCDKT-UHFFFAOYSA-N 0 2 402.549 3.852 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccc2Cl)c1)c1cnn(Cc2ccccc2)c1 ZINC000261478413 970711358 /nfs/dbraw/zinc/71/13/58/970711358.db2.gz ZDABJEKZFDKDEC-UHFFFAOYSA-N 0 2 413.890 3.571 20 0 HHADLN CCNC(=O)c1cc(NS(=O)(=O)c2ccc(C(F)F)cc2)nc2ccccc21 ZINC000554726229 1014032440 /nfs/dbraw/zinc/03/24/40/1014032440.db2.gz SPVGVQYKDCXNDW-UHFFFAOYSA-N 0 2 405.426 3.723 20 0 HHADLN Cc1cc(C2CC2)nc(NS(=O)(=O)c2cc(Br)cc3cccnc32)n1 ZINC000554730001 1014033519 /nfs/dbraw/zinc/03/35/19/1014033519.db2.gz AMVVTMDDLCMPBM-UHFFFAOYSA-N 0 2 419.304 3.774 20 0 HHADLN Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cnc1Br ZINC000318456248 972662374 /nfs/dbraw/zinc/66/23/74/972662374.db2.gz CKFAPCFVCNYTBI-UHFFFAOYSA-N 0 2 406.645 3.515 20 0 HHADLN COC(=O)Cc1csc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)n1 ZINC000319612316 972673016 /nfs/dbraw/zinc/67/30/16/972673016.db2.gz NOLFKDSAKVHMMQ-UHFFFAOYSA-N 0 2 415.707 3.620 20 0 HHADLN CC(=O)Nc1cccc(NS(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000319603789 972673111 /nfs/dbraw/zinc/67/31/11/972673111.db2.gz WNQFWXGDLZYTQA-UHFFFAOYSA-N 0 2 403.685 3.862 20 0 HHADLN CC1(C)Oc2ccc(NS(=O)(=O)c3ccc(Br)cc3F)cc2O1 ZINC000322461895 972700422 /nfs/dbraw/zinc/70/04/22/972700422.db2.gz JGOUJVAXIUDZQZ-UHFFFAOYSA-N 0 2 402.241 3.896 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccccc2)o1)c1c(Cl)cccc1Br ZINC000323717336 972713945 /nfs/dbraw/zinc/71/39/45/972713945.db2.gz WPIKWGFJDVZVCV-UHFFFAOYSA-N 0 2 414.668 3.953 20 0 HHADLN COC(=O)COc1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1 ZINC000326647321 972745572 /nfs/dbraw/zinc/74/55/72/972745572.db2.gz YICZEJNYMSIFGM-UHFFFAOYSA-N 0 2 424.689 3.999 20 0 HHADLN Cc1c(I)cccc1NS(=O)(=O)c1cc(F)ccc1F ZINC000380224454 972775191 /nfs/dbraw/zinc/77/51/91/972775191.db2.gz KDBGTLGMMZVNII-UHFFFAOYSA-N 0 2 409.195 3.679 20 0 HHADLN CC(C)(C)c1csc(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])n1 ZINC000390738635 972827513 /nfs/dbraw/zinc/82/75/13/972827513.db2.gz QWAIWXHNYRZFQV-UHFFFAOYSA-N 0 2 420.310 3.912 20 0 HHADLN COC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Br)cc2F)cc1 ZINC000391403294 972839353 /nfs/dbraw/zinc/83/93/53/972839353.db2.gz IAKFSBNZHYWXST-UHFFFAOYSA-N 0 2 403.229 3.567 20 0 HHADLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1 ZINC000409533346 972989837 /nfs/dbraw/zinc/98/98/37/972989837.db2.gz GLNSBTIXVPXKJK-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)c1 ZINC000409581898 973031611 /nfs/dbraw/zinc/03/16/11/973031611.db2.gz NHJOHEXYQMNFND-UHFFFAOYSA-N 0 2 407.536 3.831 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cc1 ZINC000409588637 973037610 /nfs/dbraw/zinc/03/76/10/973037610.db2.gz WSUCEFMCDMLOEB-UHFFFAOYSA-N 0 2 418.906 3.734 20 0 HHADLN Cc1c(C)c(C)c(S(=O)(=O)Nc2c(-c3nc(C4CC4)no3)cnn2C)c(C)c1C ZINC000409624291 973071407 /nfs/dbraw/zinc/07/14/07/973071407.db2.gz SLFIMCBDKWDBIG-UHFFFAOYSA-N 0 2 415.519 3.690 20 0 HHADLN O=S(=O)(Nc1nc2cc(F)c(F)cc2s1)c1cc2c(cc1Cl)OCCO2 ZINC000409631249 973078198 /nfs/dbraw/zinc/07/81/98/973078198.db2.gz NUWGRVQYWCDBQT-UHFFFAOYSA-N 0 2 418.830 3.800 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3cc(C)ccc3F)s2)c1 ZINC000409666127 973123855 /nfs/dbraw/zinc/12/38/55/973123855.db2.gz NCAQUYRGQBNRKE-UHFFFAOYSA-N 0 2 420.487 3.769 20 0 HHADLN COC(=O)c1cccc(Cc2cnc(NS(=O)(=O)c3cccc(F)c3F)s2)c1 ZINC000409667666 973126429 /nfs/dbraw/zinc/12/64/29/973126429.db2.gz VAMDIYDPJZLYQG-UHFFFAOYSA-N 0 2 424.450 3.600 20 0 HHADLN CC(C)(C(=O)N=c1nc(-c2cccnc2)[nH]s1)c1ccccc1Br ZINC000409847118 973315698 /nfs/dbraw/zinc/31/56/98/973315698.db2.gz CWPVSJNUTIELNT-UHFFFAOYSA-N 0 2 403.305 3.701 20 0 HHADLN C[C@H](C(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000409931101 973393279 /nfs/dbraw/zinc/39/32/79/973393279.db2.gz WBBLFRZEVMBXRV-ZDUSSCGKSA-N 0 2 404.392 3.822 20 0 HHADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3cccc4c3OC(C)(C)C4)o2)cc1 ZINC000410325546 973881183 /nfs/dbraw/zinc/88/11/83/973881183.db2.gz ZFDMTSBIGYQUNG-UHFFFAOYSA-N 0 2 415.471 3.650 20 0 HHADLN CCOc1cccc(S(=O)(=O)Nc2cc(C(C)(C)C)nn2-c2ccccn2)c1 ZINC000410338040 973920968 /nfs/dbraw/zinc/92/09/68/973920968.db2.gz CANJLMDIPNPJMH-UHFFFAOYSA-N 0 2 400.504 3.764 20 0 HHADLN O=S(=O)(Nc1cc(-c2ccsc2)nn1-c1ccccc1)c1cnc2n1CCC2 ZINC000410339489 973923329 /nfs/dbraw/zinc/92/33/29/973923329.db2.gz SXPKDDNYGLTMFE-UHFFFAOYSA-N 0 2 411.512 3.544 20 0 HHADLN O=C1CCCc2cc(NS(=O)(=O)c3cccc(Br)c3F)ccc2N1 ZINC000410375458 973973370 /nfs/dbraw/zinc/97/33/70/973973370.db2.gz XNKKFBMUMOFOGX-UHFFFAOYSA-N 0 2 413.268 3.664 20 0 HHADLN C[C@H]1CCc2nc(C[NH2+][C@@H](CSCCOc3ccccc3)C(=O)[O-])sc2C1 ZINC000426725898 974618018 /nfs/dbraw/zinc/61/80/18/974618018.db2.gz FXMKPJQVMIXLAZ-YOEHRIQHSA-N 0 2 406.573 3.623 20 0 HHADLN COc1ccc(-c2nc(S(=O)(=O)[C@@H](C)c3ccc(Br)cc3)n[nH]2)cc1 ZINC000427056116 974862830 /nfs/dbraw/zinc/86/28/30/974862830.db2.gz ZURJRLVQANXJER-NSHDSACASA-N 0 2 422.304 3.778 20 0 HHADLN COc1ccc(-c2nc(S(=O)(=O)[C@H](C)c3ccc(Br)cc3)n[nH]2)cc1 ZINC000427056115 974862997 /nfs/dbraw/zinc/86/29/97/974862997.db2.gz ZURJRLVQANXJER-LLVKDONJSA-N 0 2 422.304 3.778 20 0 HHADLN CCn1cc(-c2[nH]ncc2C(=O)NCCCCc2nc(-c3cccnc3)cs2)cn1 ZINC000427096143 974899498 /nfs/dbraw/zinc/89/94/98/974899498.db2.gz CWCYMTANBFUUAL-UHFFFAOYSA-N 0 2 421.530 3.564 20 0 HHADLN CC(=O)Nc1cc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)ccc1C ZINC000427123041 974921966 /nfs/dbraw/zinc/92/19/66/974921966.db2.gz GVXUGYXOPCTWBQ-UHFFFAOYSA-N 0 2 406.357 3.792 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)c1 ZINC000427127440 974924831 /nfs/dbraw/zinc/92/48/31/974924831.db2.gz VQEOFYVOCWORMM-UHFFFAOYSA-N 0 2 417.874 3.775 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nc3c(ccc4ccccc34)s2)cnc1C ZINC000427140924 974936128 /nfs/dbraw/zinc/93/61/28/974936128.db2.gz WOUVJJDSLALEKJ-UHFFFAOYSA-N 0 2 413.480 3.740 20 0 HHADLN Cc1ccc(F)c(C(=O)NCc2nnc(COc3ccccc3)[nH]2)c1Br ZINC000427207983 974978918 /nfs/dbraw/zinc/97/89/18/974978918.db2.gz ZSOWVVAOFHSRBJ-UHFFFAOYSA-N 0 2 419.254 3.524 20 0 HHADLN COc1cc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)c(C)c(OC)c1 ZINC000427300846 975036778 /nfs/dbraw/zinc/03/67/78/975036778.db2.gz GOVWIAKWVYAUKA-UHFFFAOYSA-N 0 2 409.357 3.851 20 0 HHADLN CCc1c(NS(=O)(=O)c2cc(COC)cc(C(=O)OC)c2)cnn1C(CC)CC ZINC000427331388 975057889 /nfs/dbraw/zinc/05/78/89/975057889.db2.gz PBWIAJNYMJJWQX-UHFFFAOYSA-N 0 2 423.535 3.540 20 0 HHADLN O=C(Nc1cccc(Cl)c1O)[C@H]1CC[C@@H](C(=O)Nc2cccc(Cl)c2O)O1 ZINC000427633445 975217771 /nfs/dbraw/zinc/21/77/71/975217771.db2.gz JHFAXDNNOIEFJI-OKILXGFUSA-N 0 2 411.241 3.529 20 0 HHADLN COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccc3cccc(Cl)c3n2)c1 ZINC000427744446 975264467 /nfs/dbraw/zinc/26/44/67/975264467.db2.gz AWMTVBQKUORFCS-UHFFFAOYSA-N 0 2 420.874 3.622 20 0 HHADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c1 ZINC000427760089 975273139 /nfs/dbraw/zinc/27/31/39/975273139.db2.gz FPXYSGKFDUHFRK-UHFFFAOYSA-N 0 2 414.814 3.793 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)cc2)o1)c1cccc(OC(F)(F)F)c1F ZINC000427780584 975284322 /nfs/dbraw/zinc/28/43/22/975284322.db2.gz NFMYZNUFQKKLLI-UHFFFAOYSA-N 0 2 421.303 3.714 20 0 HHADLN O=S(=O)(Nc1nc2c(s1)CSCC2)c1cccc(OC(F)(F)F)c1F ZINC000427794836 975292625 /nfs/dbraw/zinc/29/26/25/975292625.db2.gz WBINUJQMCGSZEF-UHFFFAOYSA-N 0 2 414.427 3.771 20 0 HHADLN COCCN(Cc1scnc1C)C(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC000428002587 975381989 /nfs/dbraw/zinc/38/19/89/975381989.db2.gz YKBCXIRZVRAHTG-UHFFFAOYSA-N 0 2 414.531 3.755 20 0 HHADLN C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1nc(C(F)(F)F)cs1 ZINC000428623928 975928794 /nfs/dbraw/zinc/92/87/94/975928794.db2.gz MLVKATSACAAPNY-MRVPVSSYSA-N 0 2 400.357 3.683 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)c1cnc(OCc2ccccc2)cn1 ZINC000428723402 976011042 /nfs/dbraw/zinc/01/10/42/976011042.db2.gz SNLIUGBQMKWFRR-UHFFFAOYSA-N 0 2 423.885 3.902 20 0 HHADLN CN(C(=O)N=c1nc(C(C)(C)C)[nH]s1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000429086018 976371566 /nfs/dbraw/zinc/37/15/66/976371566.db2.gz SYVRMGFRQZCYCS-HNNXBMFYSA-N 0 2 416.938 3.954 20 0 HHADLN COc1cc(CNC(=O)c2c[nH]c3ccc(Oc4ccccc4)cc3c2=O)ccn1 ZINC000430415957 977531416 /nfs/dbraw/zinc/53/14/16/977531416.db2.gz QIVJIKFRCAZRPL-UHFFFAOYSA-N 0 2 401.422 3.654 20 0 HHADLN O=C(N[C@@H](CO)c1cccc(F)c1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O ZINC000430565142 977633880 /nfs/dbraw/zinc/63/38/80/977633880.db2.gz OMBFKJVXBVZCGK-QFIPXVFZSA-N 0 2 418.424 3.923 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2nnc(-c3ccc(F)cc3)o2)c1 ZINC000430669146 977680416 /nfs/dbraw/zinc/68/04/16/977680416.db2.gz KCMAVKVEPWKLQG-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN Cc1cc(C)cc(-c2nnc(NS(=O)(=O)c3cnn(-c4ccccc4)c3)s2)c1 ZINC000431318433 978203430 /nfs/dbraw/zinc/20/34/30/978203430.db2.gz ICOUYPSWGGXFAX-UHFFFAOYSA-N 0 2 411.512 3.808 20 0 HHADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1 ZINC000431320181 978205404 /nfs/dbraw/zinc/20/54/04/978205404.db2.gz YOCKYQFPCDHIBP-UHFFFAOYSA-N 0 2 423.903 3.836 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1nnc(-c2ccc(C)cc2C)s1 ZINC000431324780 978210145 /nfs/dbraw/zinc/21/01/45/978210145.db2.gz CCJUORBOYUOWFJ-UHFFFAOYSA-N 0 2 421.475 3.548 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)s2)ccc1C ZINC000431329546 978214966 /nfs/dbraw/zinc/21/49/66/978214966.db2.gz CEMNWHIDVMJSCS-UHFFFAOYSA-N 0 2 417.512 3.718 20 0 HHADLN CCSc1nnc(NS(=O)(=O)c2cc(C)c(Br)cc2C)s1 ZINC000431339312 978222429 /nfs/dbraw/zinc/22/24/29/978222429.db2.gz AQKOPIFJQBWGGJ-UHFFFAOYSA-N 0 2 408.368 3.830 20 0 HHADLN COCCc1ccc(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)cc1 ZINC000431347933 978225855 /nfs/dbraw/zinc/22/58/55/978225855.db2.gz HCLBOQNZBAUQAX-UHFFFAOYSA-N 0 2 421.569 3.820 20 0 HHADLN CCCc1c(NS(=O)(=O)c2ccc(CCOC)cc2)cnn1-c1ccc(F)cc1 ZINC000432046550 978660056 /nfs/dbraw/zinc/66/00/56/978660056.db2.gz JKPRGYHWDKXADQ-UHFFFAOYSA-N 0 2 417.506 3.954 20 0 HHADLN Cc1cc(C)c(NC(=O)CN(C)C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)c(C)c1 ZINC000432311883 978756847 /nfs/dbraw/zinc/75/68/47/978756847.db2.gz FFUVZFDJAUGGFU-UHFFFAOYSA-N 0 2 424.476 3.661 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)=N1 ZINC000432317266 978758648 /nfs/dbraw/zinc/75/86/48/978758648.db2.gz GWYDMFHSVQOYKB-UHFFFAOYSA-N 0 2 424.407 3.792 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)=N1 ZINC000432329892 978763421 /nfs/dbraw/zinc/76/34/21/978763421.db2.gz VGGAGZLBZHGYQZ-SFHVURJKSA-N 0 2 423.444 3.774 20 0 HHADLN COC(=O)c1nccc2c1cccc2S(=O)(=O)Nc1cnccc1-c1ccccc1 ZINC000432355504 978774913 /nfs/dbraw/zinc/77/49/13/978774913.db2.gz DKHARIBROLWPHK-UHFFFAOYSA-N 0 2 419.462 3.884 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)NCc1c(F)cccc1OC(F)F ZINC000432416592 978802623 /nfs/dbraw/zinc/80/26/23/978802623.db2.gz HKLDZWDHMAUCDP-UHFFFAOYSA-N 0 2 400.407 3.751 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nnc([C@@H]3CCCc4ccccc43)s2)c(F)c1 ZINC000432531180 978867883 /nfs/dbraw/zinc/86/78/83/978867883.db2.gz NLLQAMLUYYQLBB-OAHLLOKOSA-N 0 2 419.503 3.955 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2ccn(Cc3ccncc3)n2)cc1C(C)C ZINC000432771830 978969536 /nfs/dbraw/zinc/96/95/36/978969536.db2.gz ZUDZFTWKGCEJQO-UHFFFAOYSA-N 0 2 400.504 3.568 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)NC1(Cc2ccc(F)cc2)CCOCC1 ZINC000432909300 979008183 /nfs/dbraw/zinc/00/81/83/979008183.db2.gz FFJJMJXWRGLMGT-UHFFFAOYSA-N 0 2 412.490 3.680 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)c(C)c1F ZINC000432954325 979022065 /nfs/dbraw/zinc/02/20/65/979022065.db2.gz GTVPTFURFPYFBR-UHFFFAOYSA-N 0 2 411.405 3.622 20 0 HHADLN O=S(=O)(Nc1noc(Cc2ccccc2)n1)c1ccc(F)c(C(F)(F)F)c1 ZINC000432958488 979024162 /nfs/dbraw/zinc/02/41/62/979024162.db2.gz DGRJTIHTIULUET-UHFFFAOYSA-N 0 2 401.341 3.619 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2ccnn2Cc2ccc(F)cc2)cc1Cl ZINC000432960561 979025021 /nfs/dbraw/zinc/02/50/21/979025021.db2.gz OFNNTCUTMOITKJ-UHFFFAOYSA-N 0 2 409.870 3.842 20 0 HHADLN CCC(=O)c1cccc(S(=O)(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)c1 ZINC000432961926 979025777 /nfs/dbraw/zinc/02/57/77/979025777.db2.gz VCUDSJHKGFXWIB-UHFFFAOYSA-N 0 2 405.426 3.759 20 0 HHADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(-c3ccccn3)s2)cc1C(C)C ZINC000432962232 979025794 /nfs/dbraw/zinc/02/57/94/979025794.db2.gz VOVUVBMPMYYLPG-UHFFFAOYSA-N 0 2 404.517 3.841 20 0 HHADLN Cc1ccc(Br)c(S(=O)(=O)Nc2nccc(-c3cncc(F)c3)n2)c1 ZINC000433116838 979081021 /nfs/dbraw/zinc/08/10/21/979081021.db2.gz NBTWKOMHTNEJNI-UHFFFAOYSA-N 0 2 423.267 3.549 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccc(Oc3ccccc3)cn2)c1C ZINC000433400043 979276222 /nfs/dbraw/zinc/27/62/22/979276222.db2.gz LPJCGGPNGGTQJS-UHFFFAOYSA-N 0 2 415.471 3.796 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCOc2c(F)cccc2C1 ZINC000433560301 979384847 /nfs/dbraw/zinc/38/48/47/979384847.db2.gz XHPJRZALUZBWFR-UHFFFAOYSA-N 0 2 404.854 3.846 20 0 HHADLN Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3cc(Br)ccc3F)c2C)o1 ZINC000433619952 979431124 /nfs/dbraw/zinc/43/11/24/979431124.db2.gz VNEULEJBWXJHNK-UHFFFAOYSA-N 0 2 414.256 3.989 20 0 HHADLN CCCC(=O)Nc1ccc(CNC(=O)C2=NN(c3ccc(F)cc3C)CC2=O)cc1 ZINC000434231358 980001942 /nfs/dbraw/zinc/00/19/42/980001942.db2.gz NSMLSZMAAMKRTA-UHFFFAOYSA-N 0 2 410.449 3.694 20 0 HHADLN CCC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 ZINC000434559965 980252907 /nfs/dbraw/zinc/25/29/07/980252907.db2.gz YNQNWKZRWKZBRV-UHFFFAOYSA-N 0 2 415.496 3.789 20 0 HHADLN COc1cc(C)cc(C)c1S(=O)(=O)Nc1cc(C)cc(Br)c1O ZINC000434637632 980311841 /nfs/dbraw/zinc/31/18/41/980311841.db2.gz OAWGREVEEKTODG-UHFFFAOYSA-N 0 2 400.294 3.889 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccco2)s1)c1cc(F)ccc1Br ZINC000434978998 980546182 /nfs/dbraw/zinc/54/61/82/980546182.db2.gz YXBVPLZJZNUAQM-UHFFFAOYSA-N 0 2 404.242 3.501 20 0 HHADLN Cc1cnn(-c2ccc(C)cc2NS(=O)(=O)c2cnn(Cc3ccccc3)c2)c1 ZINC000435143081 980675371 /nfs/dbraw/zinc/67/53/71/980675371.db2.gz ZTIGZPKKFBCXEW-UHFFFAOYSA-N 0 2 407.499 3.535 20 0 HHADLN COc1cc(NC(C)=O)ccc1NS(=O)(=O)c1cccc(C)c1Br ZINC000435145576 980676932 /nfs/dbraw/zinc/67/69/32/980676932.db2.gz GAYIEUFRPVXOJH-UHFFFAOYSA-N 0 2 413.293 3.525 20 0 HHADLN Cn1cnc(-c2cccc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)c2)n1 ZINC000435477079 980889975 /nfs/dbraw/zinc/88/99/75/980889975.db2.gz MHYOQBCWYNMWRD-UHFFFAOYSA-N 0 2 401.250 3.729 20 0 HHADLN CN1CCc2ccc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)cc2C1=O ZINC000435478867 980891207 /nfs/dbraw/zinc/89/12/07/980891207.db2.gz JACCYQASKXZESC-UHFFFAOYSA-N 0 2 403.262 3.561 20 0 HHADLN CO[C@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435490534 980899684 /nfs/dbraw/zinc/89/96/84/980899684.db2.gz PLKKGFJYRHRFFG-SECBINFHSA-N 0 2 421.277 3.907 20 0 HHADLN CCOC(=O)COc1cccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1 ZINC000435503414 980906475 /nfs/dbraw/zinc/90/64/75/980906475.db2.gz VHKXGFRRMOOPBG-UHFFFAOYSA-N 0 2 422.261 3.875 20 0 HHADLN COCCOc1cc(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)ccc1OC ZINC000435503733 980906841 /nfs/dbraw/zinc/90/68/41/980906841.db2.gz WNOWEAITEXTPHZ-UHFFFAOYSA-N 0 2 424.277 3.967 20 0 HHADLN Cn1cc(-c2[nH]ncc2C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cn1 ZINC000435947192 981107959 /nfs/dbraw/zinc/10/79/59/981107959.db2.gz CUUPQQMIJBDFCA-LJQANCHMSA-N 0 2 410.481 3.853 20 0 HHADLN COCCOc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1F ZINC000436011144 981153006 /nfs/dbraw/zinc/15/30/06/981153006.db2.gz OAPDNNDGIXQDTD-UHFFFAOYSA-N 0 2 411.348 3.810 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1cnc(-c2ccccc2)nc1 ZINC000436016252 981156754 /nfs/dbraw/zinc/15/67/54/981156754.db2.gz KGHXILAQLFBRKO-LJQANCHMSA-N 0 2 421.482 3.672 20 0 HHADLN COC(=O)c1ccc(NS(=O)(=O)c2ccccc2SC)c(OC(F)F)c1 ZINC000436018243 981158263 /nfs/dbraw/zinc/15/82/63/981158263.db2.gz RQSRMEOFMLIRDM-UHFFFAOYSA-N 0 2 403.428 3.597 20 0 HHADLN Cc1ccc(NC(=O)C(C)C)cc1NS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000436019813 981160097 /nfs/dbraw/zinc/16/00/97/981160097.db2.gz IRIXEFFZZXEVLJ-UHFFFAOYSA-N 0 2 410.499 3.847 20 0 HHADLN Cc1ccc(NC(=O)C2CC2)cc1NS(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000436028823 981166862 /nfs/dbraw/zinc/16/68/62/981166862.db2.gz VWTSVVIXMLMOBN-UHFFFAOYSA-N 0 2 408.483 3.601 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)Cc1cc(-c2ccc(F)cc2)no1 ZINC000436185126 981240154 /nfs/dbraw/zinc/24/01/54/981240154.db2.gz VTYZFKFBSQSILT-UHFFFAOYSA-N 0 2 410.448 3.579 20 0 HHADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000436190636 981242432 /nfs/dbraw/zinc/24/24/32/981242432.db2.gz NTFQZQPCHJMEQO-VIFPVBQESA-N 0 2 401.893 3.621 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H]3C[C@H]3c3c(F)cccc3F)s[nH]2)c1 ZINC000436391475 981343795 /nfs/dbraw/zinc/34/37/95/981343795.db2.gz RKPDQCVDZAKWTD-IUODEOHRSA-N 0 2 402.426 3.591 20 0 HHADLN O=C(Nc1cc(F)c(I)c(F)c1)c1cc(F)c(O)c(F)c1 ZINC000436535102 981425976 /nfs/dbraw/zinc/42/59/76/981425976.db2.gz MGPPXYCHLXRYHM-UHFFFAOYSA-N 0 2 411.092 3.806 20 0 HHADLN CN(C)Cc1nc(C(C)(C)NC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)no1 ZINC000436543778 981432782 /nfs/dbraw/zinc/43/27/82/981432782.db2.gz MXAMJRRHRQEZML-UHFFFAOYSA-N 0 2 414.893 3.822 20 0 HHADLN O=C(NCc1nnc(C2CC2)n1C1CC1)c1cc(Cl)cc(Br)c1O ZINC000436567873 981449239 /nfs/dbraw/zinc/44/92/39/981449239.db2.gz YUUDNVKGEDSTGM-UHFFFAOYSA-N 0 2 411.687 3.542 20 0 HHADLN CCC(=O)c1ccc(O)c(NS(=O)(=O)c2cc(Br)ccc2OC)c1 ZINC000436610277 981473531 /nfs/dbraw/zinc/47/35/31/981473531.db2.gz UCWJDPVYWMTDCI-UHFFFAOYSA-N 0 2 414.277 3.557 20 0 HHADLN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1cc(Cl)cc(Br)c1O ZINC000436636051 981486346 /nfs/dbraw/zinc/48/63/46/981486346.db2.gz WXWFTAZDBWWDPL-QMMMGPOBSA-N 0 2 400.704 3.519 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CC[C@H](OCc2ccccn2)C1 ZINC000436640706 981488990 /nfs/dbraw/zinc/48/89/90/981488990.db2.gz QPWYGUZCMLZCMZ-ZDUSSCGKSA-N 0 2 411.683 3.634 20 0 HHADLN COC(=O)c1ccc(C)c(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1O ZINC000436669918 981502619 /nfs/dbraw/zinc/50/26/19/981502619.db2.gz BSRYXNMCRNSCHD-UHFFFAOYSA-N 0 2 423.796 3.960 20 0 HHADLN O=C(Nc1cncc(F)c1)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000436741993 981540851 /nfs/dbraw/zinc/54/08/51/981540851.db2.gz UOACKAFHAUELCP-UHFFFAOYSA-N 0 2 421.837 3.633 20 0 HHADLN O=C(Nc1cccc(O)c1)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000436756967 981548106 /nfs/dbraw/zinc/54/81/06/981548106.db2.gz UCNBVCPWNWOTRQ-UHFFFAOYSA-N 0 2 418.858 3.804 20 0 HHADLN C[C@@H](NC(=O)c1cc(F)cc(Cl)c1O)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000436772881 981555442 /nfs/dbraw/zinc/55/54/42/981555442.db2.gz NADSCMJTOFSBHZ-GFCCVEGCSA-N 0 2 405.857 3.542 20 0 HHADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000436780218 981558070 /nfs/dbraw/zinc/55/80/70/981558070.db2.gz ZWIIWEGFVXDTMO-CQSZACIVSA-N 0 2 410.695 3.892 20 0 HHADLN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1cc(F)cc(Cl)c1O ZINC000436791717 981563304 /nfs/dbraw/zinc/56/33/04/981563304.db2.gz SWIIIVREFQOFOO-MRXNPFEDSA-N 0 2 406.841 3.745 20 0 HHADLN COC(=O)c1cncnc1/C=C\c1cc(Br)c(O)c(Br)c1 ZINC000436815550 981573864 /nfs/dbraw/zinc/57/38/64/981573864.db2.gz LJAPMOPIEVRADT-IHWYPQMZSA-N 0 2 414.053 3.664 20 0 HHADLN CCc1ccccc1NC(=O)CN(C)C(=O)c1cc(F)cc(Br)c1O ZINC000436847122 981587770 /nfs/dbraw/zinc/58/77/70/981587770.db2.gz JPCYWBVGCRUUSU-UHFFFAOYSA-N 0 2 409.255 3.567 20 0 HHADLN O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1cc(F)cc(Br)c1O ZINC000436847647 981588486 /nfs/dbraw/zinc/58/84/86/981588486.db2.gz KRTBQHCXBXDCBE-LLVKDONJSA-N 0 2 411.246 3.689 20 0 HHADLN Cc1cc(C)c(NC(=O)CNC(=O)c2cc(F)cc(Br)c2O)c(C)c1 ZINC000436848966 981588939 /nfs/dbraw/zinc/58/89/39/981588939.db2.gz QJGGNMGAEJGOAZ-UHFFFAOYSA-N 0 2 409.255 3.588 20 0 HHADLN O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1cc(F)cc(Br)c1O ZINC000436849644 981589398 /nfs/dbraw/zinc/58/93/98/981589398.db2.gz UEOMXWFPKLPIDO-UHFFFAOYSA-N 0 2 421.266 3.962 20 0 HHADLN CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc(F)cc(Br)c1O ZINC000436850731 981589981 /nfs/dbraw/zinc/58/99/81/981589981.db2.gz JHHZFFGOMAPMSA-UHFFFAOYSA-N 0 2 404.239 3.752 20 0 HHADLN CCS[C@@H](C)c1noc(CN(C)C(=O)c2cc(F)cc(Br)c2O)n1 ZINC000436862054 981596081 /nfs/dbraw/zinc/59/60/81/981596081.db2.gz GKJDMOKFJQUGPQ-QMMMGPOBSA-N 0 2 418.288 3.763 20 0 HHADLN O=C(Nc1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1c(O)cccc1F ZINC000436892299 981603470 /nfs/dbraw/zinc/60/34/70/981603470.db2.gz IYBOMYYVQKVKFQ-UHFFFAOYSA-N 0 2 404.394 3.724 20 0 HHADLN O=C(Nc1ccccc1OCCn1cc[nH+]c1)c1cc(F)cc(Br)c1[O-] ZINC000436894044 981603752 /nfs/dbraw/zinc/60/37/52/981603752.db2.gz RMQLZPFCPMSMCZ-UHFFFAOYSA-N 0 2 420.238 3.822 20 0 HHADLN COc1ccc(NS(=O)(=O)c2ccc(O)c(-c3nc(-c4ccccc4)no3)c2)cc1 ZINC000436897014 981605048 /nfs/dbraw/zinc/60/50/48/981605048.db2.gz POHSDAMIAJSWDR-UHFFFAOYSA-N 0 2 423.450 3.919 20 0 HHADLN C[N@@H+]1CCc2nc(NC(=O)c3cc(Cl)cc(Br)c3[O-])sc2C1 ZINC000436917943 981622762 /nfs/dbraw/zinc/62/27/62/981622762.db2.gz DGTYSXPPUHDYEQ-UHFFFAOYSA-N 0 2 402.701 3.505 20 0 HHADLN C[N@H+]1CCc2nc(NC(=O)c3cc(Cl)cc(Br)c3[O-])sc2C1 ZINC000436917943 981622766 /nfs/dbraw/zinc/62/27/66/981622766.db2.gz DGTYSXPPUHDYEQ-UHFFFAOYSA-N 0 2 402.701 3.505 20 0 HHADLN C[C@H](NC(=O)c1cc(Cl)cc(Br)c1O)c1nnc2n1CCCCC2 ZINC000436929053 981629383 /nfs/dbraw/zinc/62/93/83/981629383.db2.gz UKCFFEUXRIFDTF-VIFPVBQESA-N 0 2 413.703 3.617 20 0 HHADLN C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1O)c1nnc2n1CCCCC2 ZINC000436929051 981629482 /nfs/dbraw/zinc/62/94/82/981629482.db2.gz UKCFFEUXRIFDTF-SECBINFHSA-N 0 2 413.703 3.617 20 0 HHADLN CCC[C@H](NC(=O)c1cc(F)cc(Cl)c1O)C(=O)N1CCc2sccc2C1 ZINC000436929762 981630332 /nfs/dbraw/zinc/63/03/32/981630332.db2.gz VVYMKYLOZNSLKD-HNNXBMFYSA-N 0 2 410.898 3.730 20 0 HHADLN O=C(c1cc(F)cc(Br)c1O)N1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000436931611 981630969 /nfs/dbraw/zinc/63/09/69/981630969.db2.gz LRSUZVQTELUKLB-LJQANCHMSA-N 0 2 406.251 3.904 20 0 HHADLN CCc1ccccc1NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O ZINC000436932226 981630994 /nfs/dbraw/zinc/63/09/94/981630994.db2.gz BMHPCTCOFBCLHM-UHFFFAOYSA-N 0 2 410.495 3.685 20 0 HHADLN O=C(Nc1ccc(CN2C(=O)CCCC2=O)cc1)c1c(O)cc(Cl)cc1Cl ZINC000436979938 981663602 /nfs/dbraw/zinc/66/36/02/981663602.db2.gz LGHQDKAPQNBCQO-UHFFFAOYSA-N 0 2 407.253 3.990 20 0 HHADLN COC(=O)c1cccc(NC2CCN(C(=O)c3cc(F)cc(Cl)c3O)CC2)c1 ZINC000436990959 981671681 /nfs/dbraw/zinc/67/16/81/981671681.db2.gz RNVSZJOVNAFREU-UHFFFAOYSA-N 0 2 406.841 3.688 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2F)s1)c1ccc(Cl)cc1F ZINC000437165064 981816642 /nfs/dbraw/zinc/81/66/42/981816642.db2.gz DJWLSUDQYLGNLS-UHFFFAOYSA-N 0 2 401.847 3.861 20 0 HHADLN CC(=O)c1cccc(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)c1 ZINC000437173188 981828083 /nfs/dbraw/zinc/82/80/83/981828083.db2.gz RWTLZZUEBQZDRP-UHFFFAOYSA-N 0 2 407.904 3.786 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2cnc3ccsc3c2)nc1C(C)(C)C ZINC000437177820 981833517 /nfs/dbraw/zinc/83/35/17/981833517.db2.gz UMFFWEYTUYBEBO-UHFFFAOYSA-N 0 2 411.530 3.638 20 0 HHADLN O=S(=O)(Nc1nnc(CC2CCCCC2)s1)c1cnn(Cc2ccccc2)c1 ZINC000437180124 981836343 /nfs/dbraw/zinc/83/63/43/981836343.db2.gz BFSAHJTVCUNRFV-UHFFFAOYSA-N 0 2 417.560 3.707 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2cccc(F)c2)s1)c1cccc2cnccc21 ZINC000437183173 981840409 /nfs/dbraw/zinc/84/04/09/981840409.db2.gz MOFXJQTVMANDSH-UHFFFAOYSA-N 0 2 400.460 3.617 20 0 HHADLN COc1cc(F)c(S(=O)(=O)Nc2nnc(CC3CCCCC3)s2)cc1OC ZINC000437190763 981847450 /nfs/dbraw/zinc/84/74/50/981847450.db2.gz QSOXSFMJWYWSCL-UHFFFAOYSA-N 0 2 415.512 3.618 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccccc2F)s1)c1cccc2cccnc21 ZINC000437202555 981860421 /nfs/dbraw/zinc/86/04/21/981860421.db2.gz OGMSSOIPAISQCC-UHFFFAOYSA-N 0 2 400.460 3.617 20 0 HHADLN CC[C@H]1COCCN1C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C ZINC000448544027 981872584 /nfs/dbraw/zinc/87/25/84/981872584.db2.gz VITVVZQGROBBKI-INIZCTEOSA-N 0 2 421.494 3.578 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cs1 ZINC000437312359 981964677 /nfs/dbraw/zinc/96/46/77/981964677.db2.gz ZGSRPZDAHXUGTF-UHFFFAOYSA-N 0 2 412.489 3.522 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2nc(Cc3ccccc3)cs2)c(F)c1 ZINC000437339742 981990142 /nfs/dbraw/zinc/99/01/42/981990142.db2.gz UFVNRPBBZNLNJY-UHFFFAOYSA-N 0 2 423.466 3.771 20 0 HHADLN C[C@@H]1CN(Cc2csc(NS(=O)(=O)c3ccccc3C(C)(C)C)n2)C[C@H](C)O1 ZINC000437395626 982040053 /nfs/dbraw/zinc/04/00/53/982040053.db2.gz OJWKQMNRONUMRC-GASCZTMLSA-N 0 2 423.604 3.851 20 0 HHADLN CCn1nc(C)c(S(=O)(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)c1C ZINC000437402554 982046677 /nfs/dbraw/zinc/04/66/77/982046677.db2.gz BZKZPCDQLFGQAR-UHFFFAOYSA-N 0 2 420.438 3.829 20 0 HHADLN COc1ccc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)cc1OC ZINC000460418617 982205249 /nfs/dbraw/zinc/20/52/49/982205249.db2.gz HCYUXTAZKQGGTL-UHFFFAOYSA-N 0 2 407.879 3.652 20 0 HHADLN CC(=O)Nc1cccc(NS(=O)(=O)c2cnn(-c3ccc(Cl)cc3)c2C)c1 ZINC000460432324 982222108 /nfs/dbraw/zinc/22/21/08/982222108.db2.gz BXRHNQBMMXEDBA-UHFFFAOYSA-N 0 2 404.879 3.593 20 0 HHADLN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)S(=O)(=O)Cc2ccc(C(F)F)cc2)c1C ZINC000460657772 982428171 /nfs/dbraw/zinc/42/81/71/982428171.db2.gz RNYMTBOMILIJOS-GFCCVEGCSA-N 0 2 413.442 3.542 20 0 HHADLN O=S(=O)(Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1)c1cnc2n1CCC2 ZINC000437941133 982474998 /nfs/dbraw/zinc/47/49/98/982474998.db2.gz KUSDSZLMPRBGNN-UHFFFAOYSA-N 0 2 418.519 3.694 20 0 HHADLN C[C@H](CNC(=O)N=c1nc(C(C)(C)C)[nH]s1)Oc1cccc(Br)c1 ZINC000437949329 982481208 /nfs/dbraw/zinc/48/12/08/982481208.db2.gz DFVGSWMPDRTXCZ-SNVBAGLBSA-N 0 2 413.341 3.609 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000438314643 982717945 /nfs/dbraw/zinc/71/79/45/982717945.db2.gz ZHGJSQABLWKGFU-JCNLHEQBSA-N 0 2 411.893 3.783 20 0 HHADLN COc1ccc(-c2nnc(NS(=O)(=O)c3ccc(C(F)(F)F)s3)o2)cc1 ZINC000461113421 982804559 /nfs/dbraw/zinc/80/45/59/982804559.db2.gz MQQIIJPHODNMAH-UHFFFAOYSA-N 0 2 405.379 3.626 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(Cl)cc2C)cc1C(F)(F)F ZINC000461208221 982922033 /nfs/dbraw/zinc/92/20/33/982922033.db2.gz IESSNTZPBSTSNH-UHFFFAOYSA-N 0 2 408.785 3.650 20 0 HHADLN CC(C)[C@@H](CC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000438610488 982936376 /nfs/dbraw/zinc/93/63/76/982936376.db2.gz LRKPRHPSKIVWKD-CYBMUJFWSA-N 0 2 421.466 3.651 20 0 HHADLN Cc1cc(N2CCOCC2)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000461343612 983029873 /nfs/dbraw/zinc/02/98/73/983029873.db2.gz UCQZRVFJAAICRE-UHFFFAOYSA-N 0 2 406.451 3.713 20 0 HHADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)[C@H]1C[C@@]12CCOC2 ZINC000461354809 983034490 /nfs/dbraw/zinc/03/44/90/983034490.db2.gz RVBIJTKASNAITB-BFUOFWGJSA-N 0 2 424.881 3.645 20 0 HHADLN COC(=O)Cn1cc(S(=O)(=O)Nc2ccc(SC3CCCCC3)cc2C)cn1 ZINC000438749305 983043473 /nfs/dbraw/zinc/04/34/73/983043473.db2.gz BQAXWVAXOJCBAN-UHFFFAOYSA-N 0 2 423.560 3.590 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(Oc3ccccn3)cc2)cn1 ZINC000438766444 983056963 /nfs/dbraw/zinc/05/69/63/983056963.db2.gz RRLLSVOTGFYWSW-UHFFFAOYSA-N 0 2 422.466 3.869 20 0 HHADLN CCCCOc1cccc(NS(=O)(=O)c2cnn(-c3ccccc3OC)c2)c1 ZINC000438792055 983073827 /nfs/dbraw/zinc/07/38/27/983073827.db2.gz LOPQRPIHIHULRD-UHFFFAOYSA-N 0 2 401.488 3.861 20 0 HHADLN O=c1nc(Cn2cnc3ccccc32)[nH]c2cc(-c3ccc4c(c3)OCO4)sc21 ZINC000438871676 983134055 /nfs/dbraw/zinc/13/40/55/983134055.db2.gz BOHOULXXAUKAKQ-UHFFFAOYSA-N 0 2 402.435 3.778 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)=N1 ZINC000438896951 983141939 /nfs/dbraw/zinc/14/19/39/983141939.db2.gz SXHOWKOITQFATD-UHFFFAOYSA-N 0 2 409.461 3.963 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)NCCc2nc(-c3ccncc3)cs2)=N1 ZINC000438934944 983163533 /nfs/dbraw/zinc/16/35/33/983163533.db2.gz IWNMUDBRSDSJTC-UHFFFAOYSA-N 0 2 419.510 3.631 20 0 HHADLN O=C(NCc1cc(F)cc2c1OCOC2)c1cc(Cl)cc(Br)c1O ZINC000438940038 983167078 /nfs/dbraw/zinc/16/70/78/983167078.db2.gz URLPFQGTHCLNSU-UHFFFAOYSA-N 0 2 416.630 3.744 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)NC2CCN(c3ccccc3OC)CC2)=N1 ZINC000438943799 983169791 /nfs/dbraw/zinc/16/97/91/983169791.db2.gz WSUHXFHSVYKYNK-UHFFFAOYSA-N 0 2 420.513 3.548 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)=N1 ZINC000439071016 983236841 /nfs/dbraw/zinc/23/68/41/983236841.db2.gz OEJJXLWXCQJCFN-MHTXLSKPSA-N 0 2 411.527 3.711 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)=N1 ZINC000439104775 983251476 /nfs/dbraw/zinc/25/14/76/983251476.db2.gz AVYNTLLJCWTYGP-YCRPNKLZSA-N 0 2 409.461 3.882 20 0 HHADLN CN(Cc1ccc([S@@](C)=O)cc1)C(=O)c1cc(Cl)cc(Br)c1O ZINC000439156952 983279804 /nfs/dbraw/zinc/27/98/04/983279804.db2.gz SMHKESNFYRBLCI-HSZRJFAPSA-N 0 2 416.724 3.818 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NCCc3nc4ccc(F)cc4n3C)=N2)cc1 ZINC000439238480 983324793 /nfs/dbraw/zinc/32/47/93/983324793.db2.gz QAKYVDQBAJOCEG-UHFFFAOYSA-N 0 2 421.476 3.700 20 0 HHADLN C[C@H]1CCCC[C@@H]1OCC(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439245418 983329328 /nfs/dbraw/zinc/32/93/28/983329328.db2.gz KEPWDHYKVXZMNF-HZMBPMFUSA-N 0 2 411.275 3.907 20 0 HHADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1csc(C2CC2)n1 ZINC000439248751 983331125 /nfs/dbraw/zinc/33/11/25/983331125.db2.gz QEJRKKXRJGDFKB-UHFFFAOYSA-N 0 2 408.256 3.960 20 0 HHADLN CC(C)(C)n1cc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cn1 ZINC000439252716 983332960 /nfs/dbraw/zinc/33/29/60/983332960.db2.gz QURLCDHZUXUBRH-UHFFFAOYSA-N 0 2 407.247 3.577 20 0 HHADLN C[C@@H]1C[C@H](C(=O)Nc2cc(Cl)ccc2NS(=O)(=O)c2ccccc2F)CO1 ZINC000439421898 983402608 /nfs/dbraw/zinc/40/26/08/983402608.db2.gz KKIQZWRFZKXGDW-NEPJUHHUSA-N 0 2 412.870 3.643 20 0 HHADLN O=C(Cc1cnc2ccccc2c1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000439501419 983430951 /nfs/dbraw/zinc/43/09/51/983430951.db2.gz DIIPRDGITKXMPB-UHFFFAOYSA-N 0 2 424.507 3.673 20 0 HHADLN O=C(Nc1ccccc1NS(=O)(=O)c1cnc2ccsc2c1)N1CCCC1 ZINC000439570947 983454685 /nfs/dbraw/zinc/45/46/85/983454685.db2.gz NRDPOUXBNLWFCJ-UHFFFAOYSA-N 0 2 402.501 3.725 20 0 HHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2nc([C@@H]3CCC(F)(F)C3)no2)cc1 ZINC000439579968 983459602 /nfs/dbraw/zinc/45/96/02/983459602.db2.gz ZIRKEQZLQGLLAX-LLVKDONJSA-N 0 2 412.443 3.897 20 0 HHADLN COc1ccc2c(c1)CCN(C(=O)C1=NN(c3ccc(C(C)C)cc3)CC1=O)CC2 ZINC000440049369 983625466 /nfs/dbraw/zinc/62/54/66/983625466.db2.gz IRVMTSBAHKVXDU-UHFFFAOYSA-N 0 2 405.498 3.951 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(CCC(F)(F)F)cc1 ZINC000440269743 983703085 /nfs/dbraw/zinc/70/30/85/983703085.db2.gz KVBRAWAZLNJZBB-UHFFFAOYSA-N 0 2 405.394 3.979 20 0 HHADLN CCCC[C@@H](CCC)CNC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 ZINC000440817677 983919902 /nfs/dbraw/zinc/91/99/02/983919902.db2.gz HLMQABPCEYYICE-CQSZACIVSA-N 0 2 412.581 3.619 20 0 HHADLN Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)cc1 ZINC000440967116 984002148 /nfs/dbraw/zinc/00/21/48/984002148.db2.gz SGXWKNXLWZVUQE-GOEBONIOSA-N 0 2 400.548 3.504 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(OC)cc2OC)cc1Cl ZINC000441387659 984224748 /nfs/dbraw/zinc/22/47/48/984224748.db2.gz QMYHKLOZGAESEO-UHFFFAOYSA-N 0 2 420.270 3.598 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc(CCC(F)(F)F)c1 ZINC000441769805 984441500 /nfs/dbraw/zinc/44/15/00/984441500.db2.gz QOYHWUSIMPEDSX-UHFFFAOYSA-N 0 2 405.394 3.979 20 0 HHADLN COc1ccccc1-c1n[nH]c(NC(=O)c2cc(F)c(F)cc2Br)n1 ZINC000441807335 984466123 /nfs/dbraw/zinc/46/61/23/984466123.db2.gz FNOCYSQXTNGWAH-UHFFFAOYSA-N 0 2 409.190 3.773 20 0 HHADLN CC[C@@H](C)[C@H](NC(=O)C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccc(Cl)cc1 ZINC000442133905 984659691 /nfs/dbraw/zinc/65/96/91/984659691.db2.gz LZGORTWRDUDUOY-RISCZKNCSA-N 0 2 408.955 3.753 20 0 HHADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1N(C)C ZINC000442310714 984808670 /nfs/dbraw/zinc/80/86/70/984808670.db2.gz UZOHLRQWEGXWTD-UHFFFAOYSA-N 0 2 416.421 3.749 20 0 HHADLN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc(/C=C/c3ccccc3)cs2)cc1 ZINC000442625380 985101282 /nfs/dbraw/zinc/10/12/82/985101282.db2.gz WHWANNCDHWGLFZ-DHZHZOJOSA-N 0 2 413.524 3.816 20 0 HHADLN CC(C)(C)[S@@](=O)Cc1cccc(NS(=O)(=O)c2cnccc2C(F)(F)F)c1 ZINC000442818448 985227062 /nfs/dbraw/zinc/22/70/62/985227062.db2.gz OCCGXSURERZLDQ-SANMLTNESA-N 0 2 420.478 3.948 20 0 HHADLN Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000442822785 985228750 /nfs/dbraw/zinc/22/87/50/985228750.db2.gz XSRRYLGRTUIWLV-UHFFFAOYSA-N 0 2 410.377 3.792 20 0 HHADLN O=S(=O)(Nc1ccc2[nH]c(-c3ccccn3)nc2c1)c1cnccc1C(F)(F)F ZINC000442828167 985231849 /nfs/dbraw/zinc/23/18/49/985231849.db2.gz PFHVSMQEZQIKEQ-UHFFFAOYSA-N 0 2 419.388 3.840 20 0 HHADLN CCCN1C(=O)CCc2cc(NS(=O)(=O)c3cnccc3C(F)(F)F)ccc21 ZINC000442834565 985236090 /nfs/dbraw/zinc/23/60/90/985236090.db2.gz DRZMRRQZKHLSNV-UHFFFAOYSA-N 0 2 413.421 3.590 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC2(c3ccc(F)cc3)CC2)c(F)c1Cl ZINC000462274018 985263883 /nfs/dbraw/zinc/26/38/83/985263883.db2.gz CWBAYCORQMHDBU-UHFFFAOYSA-N 0 2 418.824 3.683 20 0 HHADLN Cn1c(=O)[nH]c2ccc(NC(=O)c3[nH]nc(-c4ccccc4)c3Br)cc21 ZINC000443173907 985426359 /nfs/dbraw/zinc/42/63/59/985426359.db2.gz PHOICERPGPCQOT-UHFFFAOYSA-N 0 2 412.247 3.684 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H](C)Cc2cccs2)c(F)c1Cl ZINC000462495810 985449143 /nfs/dbraw/zinc/44/91/43/985449143.db2.gz RCDRHJFWEZUSLR-VIFPVBQESA-N 0 2 422.906 3.795 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCCc2ccccc2Cl)c(F)c1Cl ZINC000462514850 985465343 /nfs/dbraw/zinc/46/53/43/985465343.db2.gz RHIMUGKSLSXYRN-UHFFFAOYSA-N 0 2 423.268 3.751 20 0 HHADLN CC1(C)Cc2cccc(S(=O)(=O)Nc3ccccc3NC(=O)N3CCCC3)c2O1 ZINC000443400409 985553750 /nfs/dbraw/zinc/55/37/50/985553750.db2.gz QURSSXUYHZNESX-UHFFFAOYSA-N 0 2 415.515 3.829 20 0 HHADLN O=S(=O)(Nc1cc(C2CCC2)nn1-c1ccccc1)c1cccc2c1OCCO2 ZINC000443411535 985566517 /nfs/dbraw/zinc/56/65/17/985566517.db2.gz WLQCKCLSRPHFOL-UHFFFAOYSA-N 0 2 411.483 3.712 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)cn1)C1CC1 ZINC000443415793 985572023 /nfs/dbraw/zinc/57/20/23/985572023.db2.gz GUJYUVWXNZVWNG-UHFFFAOYSA-N 0 2 419.812 3.903 20 0 HHADLN O=c1ccc2cc(S(=O)(=O)Nc3cc(C4CCC4)nn3-c3ccccc3)ccc2[nH]1 ZINC000443422307 985580058 /nfs/dbraw/zinc/58/00/58/985580058.db2.gz IGGSLVNVUFQRMO-UHFFFAOYSA-N 0 2 420.494 3.782 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2OCCC(F)(F)F)cn1 ZINC000443527925 985698983 /nfs/dbraw/zinc/69/89/83/985698983.db2.gz HUPLGDPESNQIPG-UHFFFAOYSA-N 0 2 408.373 3.751 20 0 HHADLN C[C@H](Nc1ccccc1NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)c1ccccc1 ZINC000443530704 985702469 /nfs/dbraw/zinc/70/24/69/985702469.db2.gz OHPQOSUVJFFXDH-WMZOPIPTSA-N 0 2 412.515 3.818 20 0 HHADLN O=C(Cc1cccc(Cl)c1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443582202 985757403 /nfs/dbraw/zinc/75/74/03/985757403.db2.gz OEBBYAPUHASVRY-UHFFFAOYSA-N 0 2 407.904 3.779 20 0 HHADLN CSc1ccccc1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000443585675 985761031 /nfs/dbraw/zinc/76/10/31/985761031.db2.gz XBANJPUJXIVQBJ-UHFFFAOYSA-N 0 2 405.526 3.918 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@H]2CC(=O)c2cccs2)=N1 ZINC000443675271 985884268 /nfs/dbraw/zinc/88/42/68/985884268.db2.gz MTEIHCLMRRHKQK-HNNXBMFYSA-N 0 2 413.474 3.965 20 0 HHADLN O=C(Cn1ccc(=O)c2ccccc21)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463160442 986132427 /nfs/dbraw/zinc/13/24/27/986132427.db2.gz JXLBKQDLRLGEEI-UHFFFAOYSA-N 0 2 414.252 3.732 20 0 HHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1ccn(-c2ccccc2F)n1 ZINC000463160615 986132694 /nfs/dbraw/zinc/13/26/94/986132694.db2.gz KRBJQCIAYJQONW-UHFFFAOYSA-N 0 2 417.231 4.356 20 0 HHADLN CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463166341 986138503 /nfs/dbraw/zinc/13/85/03/986138503.db2.gz YVLIWMHNLFSXMA-CQSZACIVSA-N 0 2 410.305 3.898 20 0 HHADLN C[C@@H](NC(=O)c1cccs1)C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463166393 986138540 /nfs/dbraw/zinc/13/85/40/986138540.db2.gz BMSSQKLBVWDPFR-MRVPVSSYSA-N 0 2 410.286 3.597 20 0 HHADLN COCc1nnc([C@H]2CCCCN2Cc2nc3ccc(Br)cc3o2)[nH]1 ZINC000463196641 986168789 /nfs/dbraw/zinc/16/87/89/986168789.db2.gz FEBBZOPHJOAVPH-CYBMUJFWSA-N 0 2 406.284 3.582 20 0 HHADLN Cc1cc(Br)cc(S(=O)(=O)Nc2nc(-c3cccs3)ns2)c1 ZINC000444050913 986249500 /nfs/dbraw/zinc/24/95/00/986249500.db2.gz JYNMNOKRFHCIGG-UHFFFAOYSA-N 0 2 416.347 3.560 20 0 HHADLN CC1(C)Cc2nc(NS(=O)(=O)c3cnc(-c4ccccc4)nc3)sc2C(=O)C1 ZINC000444051206 986251007 /nfs/dbraw/zinc/25/10/07/986251007.db2.gz LONGVBBLUCKDIX-UHFFFAOYSA-N 0 2 414.512 3.556 20 0 HHADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000468545280 986251966 /nfs/dbraw/zinc/25/19/66/986251966.db2.gz XXSYPEUOXLZSDJ-UHFFFAOYSA-N 0 2 409.357 3.550 20 0 HHADLN O=S(=O)(Nc1nnc(/C=C/c2ccco2)s1)c1cnc(-c2ccccc2)nc1 ZINC000444061144 986262701 /nfs/dbraw/zinc/26/27/01/986262701.db2.gz ZJSQLIKTFIHUTN-CMDGGOBGSA-N 0 2 411.468 3.559 20 0 HHADLN O=C(NCC1(c2cccc(Cl)c2)CCOCC1)C1=NN(c2ccccc2)CC1=O ZINC000468614874 986329451 /nfs/dbraw/zinc/32/94/51/986329451.db2.gz GTFHDJXZTUWINF-UHFFFAOYSA-N 0 2 411.889 3.710 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC(COc3ccccc3)CC2)=N1 ZINC000468704174 986417933 /nfs/dbraw/zinc/41/79/33/986417933.db2.gz PRABQNFFBOEJSD-UHFFFAOYSA-N 0 2 409.461 3.957 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H](c2ccccc2)c2ccncc2)=N1 ZINC000468736251 986449254 /nfs/dbraw/zinc/44/92/54/986449254.db2.gz VRKUCEATSYEDGC-NRFANRHFSA-N 0 2 402.429 3.940 20 0 HHADLN Cc1ncsc1-c1nc2ccccc2n1CC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000463481948 986457699 /nfs/dbraw/zinc/45/76/99/986457699.db2.gz QYKFLGCMIBODPA-UHFFFAOYSA-N 0 2 412.544 3.678 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)=N1 ZINC000468750033 986463967 /nfs/dbraw/zinc/46/39/67/986463967.db2.gz URHSSEDTZOGWQT-VLIAUNLRSA-N 0 2 413.424 3.767 20 0 HHADLN Cn1cc(-c2[nH]ncc2C(=O)NCC2(c3ccc(Cl)cc3Cl)CCC2)cn1 ZINC000444286846 986475221 /nfs/dbraw/zinc/47/52/21/986475221.db2.gz JKKYXJRPVQFFML-UHFFFAOYSA-N 0 2 404.301 3.969 20 0 HHADLN Cn1ncc2c1[nH]cc(C(=O)N1CCC[C@@H]1c1cc(F)cc(Br)c1)c2=O ZINC000468794933 986504333 /nfs/dbraw/zinc/50/43/33/986504333.db2.gz CGGAYUZTDKJIPX-OAHLLOKOSA-N 0 2 419.254 3.553 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H]3CCOc4c(F)ccc(F)c43)s[nH]2)c1 ZINC000463667630 986649138 /nfs/dbraw/zinc/64/91/38/986649138.db2.gz HCNSLKJIYRIHMA-CQSZACIVSA-N 0 2 418.425 3.559 20 0 HHADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nc(C2CC2)cs1 ZINC000469149447 986872438 /nfs/dbraw/zinc/87/24/38/986872438.db2.gz ZWYCIHHLPWVOIX-JTQLQIEISA-N 0 2 402.925 3.888 20 0 HHADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1nnc(-c2ccccc2)o1 ZINC000469157010 986881322 /nfs/dbraw/zinc/88/13/22/986881322.db2.gz UOVJHLHTRGIKMA-GFCCVEGCSA-N 0 2 423.878 3.605 20 0 HHADLN COc1ccc(C(=O)CC(C)(C)CC(=O)N=c2nc(-c3cccnc3)[nH]s2)cc1 ZINC000444729741 986902693 /nfs/dbraw/zinc/90/26/93/986902693.db2.gz HPACQNGZCKSDBV-UHFFFAOYSA-N 0 2 410.499 3.658 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N(C)[C@H]3CCN(c4ccccc4)C3=O)=N2)c1 ZINC000469659341 987316698 /nfs/dbraw/zinc/31/66/98/987316698.db2.gz DYDAVXGQUVAPNX-FQEVSTJZSA-N 0 2 418.497 3.579 20 0 HHADLN CCCCOc1cc(OC)ccc1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000469920576 987549214 /nfs/dbraw/zinc/54/92/14/987549214.db2.gz TYWFBVARDONRGM-UHFFFAOYSA-N 0 2 401.488 3.857 20 0 HHADLN O=S(=O)(Nc1cccc(OCCF)c1)c1cc(Br)c(F)cc1F ZINC000470458929 988443221 /nfs/dbraw/zinc/44/32/21/988443221.db2.gz LZKPDHUPIIXNSL-UHFFFAOYSA-N 0 2 410.211 3.876 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2cnn(CC(C)C)c2)cc1 ZINC000464355811 988508589 /nfs/dbraw/zinc/50/85/89/988508589.db2.gz NUQYOEVZWZYCBM-UHFFFAOYSA-N 0 2 418.544 3.962 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CN4C[C@@H](C)O[C@H](C5CC5)C4)nc(=O)c3s2)cc1 ZINC000470913534 988989849 /nfs/dbraw/zinc/98/98/49/988989849.db2.gz PZIYMGRYOPVHIR-ACJLOTCBSA-N 0 2 411.527 3.660 20 0 HHADLN Cn1cc(-c2nc3ccccn3c2NS(=O)(=O)c2ccc3ccccc3c2)cn1 ZINC000464903511 989175696 /nfs/dbraw/zinc/17/56/96/989175696.db2.gz WBMVVVJJUWSXLK-UHFFFAOYSA-N 0 2 403.467 3.689 20 0 HHADLN Cn1cc[nH+]c1[C@@H]1CCCN(C(=O)N=c2[n-]nc(-c3ccc(Cl)cc3F)s2)C1 ZINC000471304385 989466440 /nfs/dbraw/zinc/46/64/40/989466440.db2.gz PUKYGIAJEYMGRQ-LLVKDONJSA-N 0 2 420.901 3.565 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1ccc(F)cc1Br ZINC000471498868 989696463 /nfs/dbraw/zinc/69/64/63/989696463.db2.gz GWAFSNDCDWEMMA-UHFFFAOYSA-N 0 2 420.310 3.969 20 0 HHADLN Cc1ccc(Cc2nnc(NS(=O)(=O)c3ccccc3OC(F)F)s2)cc1 ZINC000471510478 989709087 /nfs/dbraw/zinc/70/90/87/989709087.db2.gz LWIATCZTFDBIFU-UHFFFAOYSA-N 0 2 411.455 3.840 20 0 HHADLN CC[C@@H](c1nnc(NS(=O)(=O)c2ccc(C(=O)OC)cc2)s1)c1ccccc1 ZINC000471517324 989716068 /nfs/dbraw/zinc/71/60/68/989716068.db2.gz ZXFLMOQAEXLRAS-MRXNPFEDSA-N 0 2 417.512 3.667 20 0 HHADLN O=C1CCCc2cc(S(=O)(=O)Nc3cc(CC4CCCCC4)n[nH]3)ccc2N1 ZINC000471523530 989723103 /nfs/dbraw/zinc/72/31/03/989723103.db2.gz UJKVZUVHAVEBGE-UHFFFAOYSA-N 0 2 402.520 3.608 20 0 HHADLN COc1cc(O)cc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)c1 ZINC000471569065 989769992 /nfs/dbraw/zinc/76/99/92/989769992.db2.gz FNAAWFJWSLUBMO-UHFFFAOYSA-N 0 2 410.648 3.757 20 0 HHADLN CS(=O)(=O)c1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)ccc1Cl ZINC000471569252 989770624 /nfs/dbraw/zinc/77/06/24/989770624.db2.gz FTASFZSQSJJACF-UHFFFAOYSA-N 0 2 414.719 3.851 20 0 HHADLN Cn1ccc2cccc(NS(=O)(=O)c3cc4c(cc3Br)OCCO4)c21 ZINC000471579700 989782580 /nfs/dbraw/zinc/78/25/80/989782580.db2.gz XLYSUVIIMUJPPQ-UHFFFAOYSA-N 0 2 423.288 3.513 20 0 HHADLN CS(=O)(=O)c1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)ccc1Cl ZINC000471584091 989787377 /nfs/dbraw/zinc/78/73/77/989787377.db2.gz DXJUGAKYMISUFU-UHFFFAOYSA-N 0 2 420.748 3.913 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3cccc(Br)c3n2)cc1 ZINC000465584353 989956728 /nfs/dbraw/zinc/95/67/28/989956728.db2.gz BXHLLAKRBGBTTF-UHFFFAOYSA-N 0 2 421.272 3.585 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)C3(CCOCc4ccccc4)CC3)s[nH]2)c1 ZINC000471847449 990021675 /nfs/dbraw/zinc/02/16/75/990021675.db2.gz FXYRGMDVHPAKGM-UHFFFAOYSA-N 0 2 409.511 3.961 20 0 HHADLN CCc1ccc(-c2noc([C@@H](C)NS(=O)(=O)c3c(F)cc(F)cc3F)n2)cc1 ZINC000471881249 990053977 /nfs/dbraw/zinc/05/39/77/990053977.db2.gz DJVUFDBRPBBWTL-SNVBAGLBSA-N 0 2 411.405 3.756 20 0 HHADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2-c2cccc(F)c2)c2ccccc12 ZINC000471900607 990070574 /nfs/dbraw/zinc/07/05/74/990070574.db2.gz QQURKMJFGRGLEV-UHFFFAOYSA-N 0 2 424.457 3.924 20 0 HHADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000471938205 990102215 /nfs/dbraw/zinc/10/22/15/990102215.db2.gz ZLAQIXTYUICYJJ-UHFFFAOYSA-N 0 2 405.448 3.817 20 0 HHADLN O=S(=O)(Nc1cccc(Cl)c1N1CCOCC1)c1c[nH]c2cccc(F)c21 ZINC000471939221 990103830 /nfs/dbraw/zinc/10/38/30/990103830.db2.gz CFSVXAJDBLFDHA-UHFFFAOYSA-N 0 2 409.870 3.598 20 0 HHADLN CCn1nccc1S(=O)(=O)Nc1ccc2ccn(Cc3cccc(OC)c3)c2c1 ZINC000471961559 990127052 /nfs/dbraw/zinc/12/70/52/990127052.db2.gz UAUORYQGOSQVLS-UHFFFAOYSA-N 0 2 410.499 3.715 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccccc1COc1ccccc1 ZINC000466344183 991601175 /nfs/dbraw/zinc/60/11/75/991601175.db2.gz AFLNKNGXZAAWQE-UHFFFAOYSA-N 0 2 415.442 3.992 20 0 HHADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccc(COCc2ccco2)c1 ZINC000466346887 991605895 /nfs/dbraw/zinc/60/58/95/991605895.db2.gz NQECJUZIZNXDQK-UHFFFAOYSA-N 0 2 419.430 3.723 20 0 HHADLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3cccc(F)c3C(=O)OC)sc2C1 ZINC000466368682 991642119 /nfs/dbraw/zinc/64/21/19/991642119.db2.gz NNZITEBIDNSGOZ-NSHDSACASA-N 0 2 412.508 3.775 20 0 HHADLN COCCc1ccccc1NS(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000466431629 991720034 /nfs/dbraw/zinc/72/00/34/991720034.db2.gz QSNOOEXLOCIXGD-UHFFFAOYSA-N 0 2 405.497 3.678 20 0 HHADLN CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)[nH]n1 ZINC000466957896 992267923 /nfs/dbraw/zinc/26/79/23/992267923.db2.gz OADQECSHKCQSRC-KBPBESRZSA-N 0 2 411.499 3.669 20 0 HHADLN CCn1c2ccc(S(=O)(=O)Nc3sc(C)nc3-c3ccccc3)cc2oc1=O ZINC000467012906 992319766 /nfs/dbraw/zinc/31/97/66/992319766.db2.gz KDHKSCUBMVAVAQ-UHFFFAOYSA-N 0 2 415.496 3.847 20 0 HHADLN COc1cc(NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c(OC)cc1Cl ZINC000467107715 992417059 /nfs/dbraw/zinc/41/70/59/992417059.db2.gz UDDHTUFPVPXMNE-UHFFFAOYSA-N 0 2 408.867 3.731 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1cc(Br)ccc1F ZINC000467346278 992666656 /nfs/dbraw/zinc/66/66/56/992666656.db2.gz OLGIMTCZUWWTSQ-UHFFFAOYSA-N 0 2 411.256 3.962 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000467429343 992728530 /nfs/dbraw/zinc/72/85/30/992728530.db2.gz WRMHRLKDUMUQRW-SJORKVTESA-N 0 2 417.487 3.825 20 0 HHADLN COCc1ccc([C@H]2CCCN2C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)o1 ZINC000467456902 992750562 /nfs/dbraw/zinc/75/05/62/992750562.db2.gz OBMDEOJDXLXMHH-MRXNPFEDSA-N 0 2 414.487 3.744 20 0 HHADLN Cc1cnn(-c2ccc(C)cc2NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000467464262 992757366 /nfs/dbraw/zinc/75/73/66/992757366.db2.gz KPXOCLLVBQBIBV-UHFFFAOYSA-N 0 2 408.487 3.863 20 0 HHADLN CN(Cc1nc(=O)c2sccc2[nH]1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 ZINC000467495992 992781341 /nfs/dbraw/zinc/78/13/41/992781341.db2.gz PZLYHVVWYASIEV-HXUWFJFHSA-N 0 2 418.522 3.886 20 0 HHADLN COCc1c(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)cnn1-c1ccccc1 ZINC000467726502 992979213 /nfs/dbraw/zinc/97/92/13/992979213.db2.gz YORUXOBMKOMWAF-UHFFFAOYSA-N 0 2 408.849 3.710 20 0 HHADLN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)C1 ZINC000467755920 993000757 /nfs/dbraw/zinc/00/07/57/993000757.db2.gz TTWKIBYHKQWIGY-QCSYZSNVSA-N 0 2 403.910 3.633 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3Cl)s2)cc1C ZINC000472441570 993444100 /nfs/dbraw/zinc/44/41/00/993444100.db2.gz ZHVAXFVCWLRKPU-UHFFFAOYSA-N 0 2 423.903 3.754 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2ccc(C3CC3)cc2)c(F)c1Cl ZINC000480894629 993752703 /nfs/dbraw/zinc/75/27/03/993752703.db2.gz FWBQJPMUDYVZOC-UHFFFAOYSA-N 0 2 414.861 3.933 20 0 HHADLN CCCOc1ccc(S(=O)(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)cc1 ZINC000481019814 993862913 /nfs/dbraw/zinc/86/29/13/993862913.db2.gz GHKKPLPTPMIUCH-UHFFFAOYSA-N 0 2 406.895 3.569 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1cc(NC(=O)C(C)(C)C)ccc1C ZINC000481084381 993922877 /nfs/dbraw/zinc/92/28/77/993922877.db2.gz BTXALEBJRKHMIB-UHFFFAOYSA-N 0 2 410.517 3.629 20 0 HHADLN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)c1 ZINC000473128179 994016810 /nfs/dbraw/zinc/01/68/10/994016810.db2.gz NLITYTIEEQWRFS-WCQYABFASA-N 0 2 400.385 3.509 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)Cc1ncccc1F ZINC000473257121 994108139 /nfs/dbraw/zinc/10/81/39/994108139.db2.gz OCXUVRCKTRCKRZ-UHFFFAOYSA-N 0 2 417.437 3.650 20 0 HHADLN Cc1cc2[nH]ncc2cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000481303341 994119957 /nfs/dbraw/zinc/11/99/57/994119957.db2.gz FPQVLWQDVCXLCC-UHFFFAOYSA-N 0 2 406.467 3.924 20 0 HHADLN COCCCC[C@@H](NC(=O)C1=NN(c2ccc(OC)cc2)CC1=O)c1ccccc1 ZINC000473518424 994372969 /nfs/dbraw/zinc/37/29/69/994372969.db2.gz LVTGOJBUGPMNCO-HXUWFJFHSA-N 0 2 409.486 3.874 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)cnn1-c1ccccn1 ZINC000481613440 994470330 /nfs/dbraw/zinc/47/03/30/994470330.db2.gz JCSVEHWTLMWGLC-UHFFFAOYSA-N 0 2 424.486 3.550 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(Br)c(F)c1 ZINC000473695747 994586577 /nfs/dbraw/zinc/58/65/77/994586577.db2.gz VRBNUDVPJHDFAJ-UHFFFAOYSA-N 0 2 420.242 3.607 20 0 HHADLN CC1CCN(c2cccc(NC(=O)NCc3nnc(COc4ccccc4)[nH]3)c2)CC1 ZINC000473696072 994586799 /nfs/dbraw/zinc/58/67/99/994586799.db2.gz NZVWUWYQVKGRLW-UHFFFAOYSA-N 0 2 420.517 3.942 20 0 HHADLN CCCCCn1nc(C)cc1NS(=O)(=O)c1ccc(OC)cc1Br ZINC000481834175 994684250 /nfs/dbraw/zinc/68/42/50/994684250.db2.gz XKWAAWMOWTXIFO-UHFFFAOYSA-N 0 2 416.341 3.954 20 0 HHADLN O=S(=O)(Nc1nnc(-c2cccs2)o1)c1ccc(OCC(F)(F)F)cc1 ZINC000481835306 994686662 /nfs/dbraw/zinc/68/66/62/994686662.db2.gz BCUIJUQHHDYZRE-UHFFFAOYSA-N 0 2 405.379 3.540 20 0 HHADLN O=S(=O)(Nc1ccc(-c2ccc(Cl)cc2Cl)nc1)c1cnc2n1CCC2 ZINC000473770134 994690092 /nfs/dbraw/zinc/69/00/92/994690092.db2.gz INSYQFAYCUFTHS-UHFFFAOYSA-N 0 2 409.298 3.999 20 0 HHADLN COC(=O)c1cccc(S(=O)(=O)Nc2nnc(-c3cc(F)ccc3C)s2)c1C ZINC000481850049 994706656 /nfs/dbraw/zinc/70/66/56/994706656.db2.gz UPMJRWRUUJXWEA-UHFFFAOYSA-N 0 2 421.475 3.548 20 0 HHADLN O=C(Nc1ccc(NS(=O)(=O)c2ccc3ncsc3c2)nc1)c1ccccc1 ZINC000481863554 994724270 /nfs/dbraw/zinc/72/42/70/994724270.db2.gz DHQMKVXPAPQKPB-UHFFFAOYSA-N 0 2 410.480 3.744 20 0 HHADLN COc1cccc(Cc2nnc(NS(=O)(=O)c3cc(Cl)sc3Cl)o2)c1 ZINC000481881135 994745677 /nfs/dbraw/zinc/74/56/77/994745677.db2.gz GRKNVDHDYJXKEJ-UHFFFAOYSA-N 0 2 420.299 3.838 20 0 HHADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2nc3cc(F)c(C)cc3s2)c1C ZINC000481881378 994746099 /nfs/dbraw/zinc/74/60/99/994746099.db2.gz HVGIJVNAYSLOLR-UHFFFAOYSA-N 0 2 411.480 3.666 20 0 HHADLN CCc1nc(C)c(NS(=O)(=O)c2cc(N(C)C)ccc2Br)s1 ZINC000481882196 994746783 /nfs/dbraw/zinc/74/67/83/994746783.db2.gz CFNMZNUREQBQCE-UHFFFAOYSA-N 0 2 404.355 3.643 20 0 HHADLN CC[C@H](C)c1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(OC)c3)o2)cc1 ZINC000481884780 994750268 /nfs/dbraw/zinc/75/02/68/994750268.db2.gz XRSQOFIRGKMSGG-AWEZNQCLSA-N 0 2 401.488 3.983 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NCC1(c2ccccc2)CCCC1 ZINC000473891625 994844139 /nfs/dbraw/zinc/84/41/39/994844139.db2.gz BGFYSMRYUDMWQK-UHFFFAOYSA-N 0 2 405.502 3.695 20 0 HHADLN CCOC(=O)c1oc(NS(=O)(=O)c2ccc3nc(C(C)(C)C)sc3c2)nc1C ZINC000481980771 994876248 /nfs/dbraw/zinc/87/62/48/994876248.db2.gz BHHUIZHYWOLHPM-UHFFFAOYSA-N 0 2 423.516 3.868 20 0 HHADLN Cc1cc([C@@H](NC(=O)NCc2nnc(COc3ccccc3)[nH]2)C2CC2)ccc1F ZINC000474010233 995000401 /nfs/dbraw/zinc/00/04/01/995000401.db2.gz KHUPTSUMBYDURP-NRFANRHFSA-N 0 2 409.465 3.782 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000474038225 995028538 /nfs/dbraw/zinc/02/85/38/995028538.db2.gz RMNKAHGUNBYJAX-UKRRQHHQSA-N 0 2 411.428 3.552 20 0 HHADLN CCc1ccc(C(C)(C)CNC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000474046735 995037137 /nfs/dbraw/zinc/03/71/37/995037137.db2.gz SEOAHKMGUACGEA-UHFFFAOYSA-N 0 2 407.518 3.723 20 0 HHADLN CCc1ccc(C2=CCN(C(=O)NCc3nnc(COc4ccccc4)[nH]3)CC2)cc1 ZINC000474078296 995064205 /nfs/dbraw/zinc/06/42/05/995064205.db2.gz ATJTYAVHPXGBTK-UHFFFAOYSA-N 0 2 417.513 3.945 20 0 HHADLN C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474086591 995068669 /nfs/dbraw/zinc/06/86/69/995068669.db2.gz BCJZNJUERYUFTA-IEBWSBKVSA-N 0 2 405.502 3.546 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000474087473 995069811 /nfs/dbraw/zinc/06/98/11/995069811.db2.gz DYZIOHOWIADODB-LJQANCHMSA-N 0 2 409.465 3.960 20 0 HHADLN C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474090917 995073298 /nfs/dbraw/zinc/07/32/98/995073298.db2.gz VAOHMDGTLXAVBO-NVXWUHKLSA-N 0 2 409.465 3.610 20 0 HHADLN C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474090920 995073837 /nfs/dbraw/zinc/07/38/37/995073837.db2.gz VAOHMDGTLXAVBO-RDJZCZTQSA-N 0 2 409.465 3.610 20 0 HHADLN C[C@@H]1C[C@H]1c1ccc(CN(C(=O)NCc2nnc(COc3ccccc3)[nH]2)C2CC2)o1 ZINC000474096444 995077794 /nfs/dbraw/zinc/07/77/94/995077794.db2.gz OWTBKVCQBVPPLO-DNVCBOLYSA-N 0 2 421.501 3.974 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000482296701 995276626 /nfs/dbraw/zinc/27/66/26/995276626.db2.gz NIMUJGPAOVJPBC-KRWDZBQOSA-N 0 2 411.428 3.694 20 0 HHADLN Cc1sc(Br)cc1S(=O)(=O)Nc1nnc(-c2ccccn2)s1 ZINC000474421766 995385272 /nfs/dbraw/zinc/38/52/72/995385272.db2.gz MSOOQYUDIQAZRO-UHFFFAOYSA-N 0 2 417.335 3.533 20 0 HHADLN O=C1CCCN1c1ccc(S(=O)(=O)Nc2cc(C3CCCCCC3)n[nH]2)cc1 ZINC000474426389 995389933 /nfs/dbraw/zinc/38/99/33/995389933.db2.gz KHGLCQQWHDXHGY-UHFFFAOYSA-N 0 2 402.520 3.775 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CC[C@]4(C3)OCc3ccccc34)=N2)cc1 ZINC000474427491 995390757 /nfs/dbraw/zinc/39/07/57/995390757.db2.gz ASTQREYYQIENOT-XMMPIXPASA-N 0 2 403.482 3.973 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000474571984 995533865 /nfs/dbraw/zinc/53/38/65/995533865.db2.gz DAAZDAZKDKZOOU-UHFFFAOYSA-N 0 2 416.403 3.751 20 0 HHADLN O=C(CCc1ccc(-c2ccccc2)[nH]1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474581515 995541802 /nfs/dbraw/zinc/54/18/02/995541802.db2.gz RNCWXHRTEHEDOL-UHFFFAOYSA-N 0 2 401.470 3.628 20 0 HHADLN O=C(CCc1cc(Cl)cc(Cl)c1)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474582265 995542104 /nfs/dbraw/zinc/54/21/04/995542104.db2.gz FOCLCJVGTHRPID-UHFFFAOYSA-N 0 2 405.285 3.940 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cc(Cl)ccc1OC(F)F ZINC000474585416 995545442 /nfs/dbraw/zinc/54/54/42/995545442.db2.gz MFMFHXOBDUXLPR-UHFFFAOYSA-N 0 2 408.792 3.569 20 0 HHADLN C[C@@H](C(=O)NCc1nnc(COc2ccccc2)[nH]1)c1ccc(Br)cc1 ZINC000474586939 995546217 /nfs/dbraw/zinc/54/62/17/995546217.db2.gz ZJNICMJRQRQACN-CYBMUJFWSA-N 0 2 415.291 3.566 20 0 HHADLN CC(C)[C@@H](SCc1ccccc1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000474591677 995550183 /nfs/dbraw/zinc/55/01/83/995550183.db2.gz KJURLDCGSXSJDW-OAQYLSRUSA-N 0 2 410.543 3.958 20 0 HHADLN Cc1ccc(Cc2nc(C(=O)NCc3nnc(COc4ccccc4)[nH]3)cs2)cc1 ZINC000474592013 995550940 /nfs/dbraw/zinc/55/09/40/995550940.db2.gz DKPYJJSAZMMVEM-UHFFFAOYSA-N 0 2 419.510 3.669 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000474592067 995551081 /nfs/dbraw/zinc/55/10/81/995551081.db2.gz FGBPIXPDHBLYTO-UHFFFAOYSA-N 0 2 415.375 3.814 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1ccc(Cl)cc1C(F)(F)F ZINC000474595069 995553576 /nfs/dbraw/zinc/55/35/76/995553576.db2.gz XJLUJFKZXAILIO-UHFFFAOYSA-N 0 2 410.783 3.986 20 0 HHADLN CCc1c(NC(=O)c2ccc3[nH]nnc3c2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000482687603 995679363 /nfs/dbraw/zinc/67/93/63/995679363.db2.gz CPIWHOITZOGGKA-UHFFFAOYSA-N 0 2 400.364 3.977 20 0 HHADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CC(C)(C)O[C@@]4(CCCOC4)C3)=N2)cc1 ZINC000482857322 995796076 /nfs/dbraw/zinc/79/60/76/995796076.db2.gz JLSZNQFUWLMCQV-QHCPKHFHSA-N 0 2 413.518 3.502 20 0 HHADLN C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000475030350 995881613 /nfs/dbraw/zinc/88/16/13/995881613.db2.gz HMDFPZXGWRIODH-PFUSGODGSA-N 0 2 400.529 3.589 20 0 HHADLN CCc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2ccc(OC)cc2OC)n[nH]1 ZINC000475473283 996163671 /nfs/dbraw/zinc/16/36/71/996163671.db2.gz WVPGLWNGACAKTC-UHFFFAOYSA-N 0 2 419.441 3.959 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(Oc3ccccc3C(N)=O)cc2)cc1F ZINC000475735815 996334378 /nfs/dbraw/zinc/33/43/78/996334378.db2.gz FEZZKQGONJBUQR-UHFFFAOYSA-N 0 2 418.421 3.965 20 0 HHADLN CN(Cc1ccc(F)cc1Br)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000483726394 996352093 /nfs/dbraw/zinc/35/20/93/996352093.db2.gz MIJTUIYTVPIZCW-UHFFFAOYSA-N 0 2 401.305 3.823 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2OC)c(Br)c1 ZINC000475809195 996384709 /nfs/dbraw/zinc/38/47/09/996384709.db2.gz IBDDMROYUWTDMJ-UHFFFAOYSA-N 0 2 408.220 3.545 20 0 HHADLN CCOc1ccc(OC)cc1NS(=O)(=O)c1ccc(OC)cc1Br ZINC000475813767 996387558 /nfs/dbraw/zinc/38/75/58/996387558.db2.gz HTQFQAHNXDLPMF-UHFFFAOYSA-N 0 2 416.293 3.666 20 0 HHADLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccccc2-c2csc(C)n2)c1 ZINC000475824025 996394562 /nfs/dbraw/zinc/39/45/62/996394562.db2.gz BSAPUSQSXBWUCE-UHFFFAOYSA-N 0 2 418.496 3.715 20 0 HHADLN Cc1c(S(=O)(=O)Nc2cc(-c3cccnc3)ccc2C)cnn1-c1ccccn1 ZINC000475824777 996394921 /nfs/dbraw/zinc/39/49/21/996394921.db2.gz FCTLZJAIJNLFPK-UHFFFAOYSA-N 0 2 405.483 3.747 20 0 HHADLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)oc1C ZINC000484011924 996520645 /nfs/dbraw/zinc/52/06/45/996520645.db2.gz HXHYXSZKKMTZBL-UHFFFAOYSA-N 0 2 412.773 3.633 20 0 HHADLN O=S(=O)(Nc1ccccc1Nc1c(F)cccc1F)c1cnn([C@H]2CCOC2)c1 ZINC000484084259 996561163 /nfs/dbraw/zinc/56/11/63/996561163.db2.gz AOMADXBFUKZLLK-ZDUSSCGKSA-N 0 2 420.441 3.667 20 0 HHADLN C[C@](CO)(CNC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1)Cc1ccccc1 ZINC000484337509 996711939 /nfs/dbraw/zinc/71/19/39/996711939.db2.gz CAKKZLUHUPEEPT-HXUWFJFHSA-N 0 2 416.934 3.643 20 0 HHADLN Cc1nc(CC(C)C)oc1C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000476267534 996718437 /nfs/dbraw/zinc/71/84/37/996718437.db2.gz VEKNDXCDKRTMBK-UHFFFAOYSA-N 0 2 420.516 3.691 20 0 HHADLN CC[C@@H](C)n1ncc2c1nc(C)cc2C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1 ZINC000476319218 996753477 /nfs/dbraw/zinc/75/34/77/996753477.db2.gz SCTLEZBXIQPECQ-CYBMUJFWSA-N 0 2 422.514 3.912 20 0 HHADLN CCc1c(C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)cnn1-c1ccccc1 ZINC000476321960 996755475 /nfs/dbraw/zinc/75/54/75/996755475.db2.gz JGBXTYKGVLCOCW-UHFFFAOYSA-N 0 2 405.483 3.636 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)COc3ccc(Cl)c(Cl)c3)s[nH]2)c1 ZINC000476327625 996759283 /nfs/dbraw/zinc/75/92/83/996759283.db2.gz VUXZRCAWMHDRDY-UHFFFAOYSA-N 0 2 410.282 3.960 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cnn(-c4cccc(C)c4)c3C)s[nH]2)c1 ZINC000476346309 996769297 /nfs/dbraw/zinc/76/92/97/996769297.db2.gz HOXZEYFTUZASHS-UHFFFAOYSA-N 0 2 405.483 3.690 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)CCc3ccc(OC(F)F)cc3)s[nH]2)c1 ZINC000476347954 996770488 /nfs/dbraw/zinc/77/04/88/996770488.db2.gz JTVHCHRDXSPVIF-UHFFFAOYSA-N 0 2 405.426 3.808 20 0 HHADLN COc1cccc(-c2nsc(NC(O)=Cc3nc(-c4cccs4)oc3C)n2)c1 ZINC000476356223 996783791 /nfs/dbraw/zinc/78/37/91/996783791.db2.gz UHWCEPJAAFUNGJ-UHFFFAOYSA-N 0 2 412.496 3.842 20 0 HHADLN COc1ccc(Br)c(S(=O)(=O)Nc2cc(C)ccc2NC(C)=O)c1 ZINC000476403625 996861742 /nfs/dbraw/zinc/86/17/42/996861742.db2.gz WDKDLOLJTIWNPE-UHFFFAOYSA-N 0 2 413.293 3.525 20 0 HHADLN CCc1nc(C2CC[NH+]([C@@H](C(=O)Nc3ccc(OC)cc3)c3ccccc3)CC2)n[nH]1 ZINC000484716950 997057247 /nfs/dbraw/zinc/05/72/47/997057247.db2.gz RVIYOXRQRWRPKI-JOCHJYFZSA-N 0 2 419.529 3.935 20 0 HHADLN O=C(CC[N@@H+](CCC(F)(F)F)Cc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000484792585 997143137 /nfs/dbraw/zinc/14/31/37/997143137.db2.gz DQGDJDUPSAGSLP-UHFFFAOYSA-N 0 2 420.479 3.575 20 0 HHADLN COc1cccc([C@@H]2CN(C(=O)C3=NN(c4ccc(C(C)C)cc4)CC3=O)CCO2)c1 ZINC000484802848 997155638 /nfs/dbraw/zinc/15/56/38/997155638.db2.gz CVCHOGQLWUCOQQ-QFIPXVFZSA-N 0 2 421.497 3.924 20 0 HHADLN CC(C)(C)c1cnc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)s1 ZINC000476700800 997241866 /nfs/dbraw/zinc/24/18/66/997241866.db2.gz LWVIDZCKHOXWAG-UHFFFAOYSA-N 0 2 422.557 3.950 20 0 HHADLN CC(C)CN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCCC1 ZINC000476739716 997290634 /nfs/dbraw/zinc/29/06/34/997290634.db2.gz AKGZAEAXZHEUKV-UHFFFAOYSA-N 0 2 407.561 3.985 20 0 HHADLN O=C(c1ccc(S(=O)(=O)Nc2nccs2)cc1)N1CCC[C@H]1c1ccsc1 ZINC000476768739 997325746 /nfs/dbraw/zinc/32/57/46/997325746.db2.gz XEPGITWGBHQFDH-INIZCTEOSA-N 0 2 419.553 3.983 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)nc1C(C)(C)C ZINC000476908164 997514342 /nfs/dbraw/zinc/51/43/42/997514342.db2.gz KCFRHSPWLUNYOB-UHFFFAOYSA-N 0 2 424.544 3.867 20 0 HHADLN COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccccc2N2CCCCCC2)c1 ZINC000476911923 997519812 /nfs/dbraw/zinc/51/98/12/997519812.db2.gz FXSWIKODQQVQMP-UHFFFAOYSA-N 0 2 418.515 3.663 20 0 HHADLN COc1ccc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c(OCCOC(C)C)c1 ZINC000476956889 997572771 /nfs/dbraw/zinc/57/27/71/997572771.db2.gz CBJJYLQFAVQCDZ-UHFFFAOYSA-N 0 2 414.437 3.676 20 0 HHADLN C[C@@H](c1ccncc1)N(C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485360182 997784603 /nfs/dbraw/zinc/78/46/03/997784603.db2.gz QDJNQOXYCSABTO-ZDUSSCGKSA-N 0 2 417.516 3.564 20 0 HHADLN C[C@@H]1CC[C@H](NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)[C@H](C)C1 ZINC000485383127 997810140 /nfs/dbraw/zinc/81/01/40/997810140.db2.gz MDHKMNPJKCWQOD-IOASZLSFSA-N 0 2 408.549 3.890 20 0 HHADLN CC[C@H](C)[C@H](OC)C(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1C ZINC000477155487 997814879 /nfs/dbraw/zinc/81/48/79/997814879.db2.gz YWRWXEDPNNMEBH-DJJJIMSYSA-N 0 2 408.495 3.935 20 0 HHADLN COc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000485390827 997818672 /nfs/dbraw/zinc/81/86/72/997818672.db2.gz NQAZTWAQVRKBMK-UHFFFAOYSA-N 0 2 403.287 3.505 20 0 HHADLN Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 ZINC000485407100 997839454 /nfs/dbraw/zinc/83/94/54/997839454.db2.gz OQNOOGJLJSDHEZ-UHFFFAOYSA-N 0 2 414.890 3.532 20 0 HHADLN Cc1ccccc1SCC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000485485623 997938378 /nfs/dbraw/zinc/93/83/78/997938378.db2.gz CLOBBROCFYEDQQ-UHFFFAOYSA-N 0 2 419.553 3.983 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3C)n[nH]2)cc1Br ZINC000485881391 998336708 /nfs/dbraw/zinc/33/67/08/998336708.db2.gz LDPSGVADDVMHRY-UHFFFAOYSA-N 0 2 422.304 3.957 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@H](C)c2ccc(Br)cn2)=N1 ZINC000477782361 998532562 /nfs/dbraw/zinc/53/25/62/998532562.db2.gz JDWXHUVBXDTXNB-LLVKDONJSA-N 0 2 419.254 3.674 20 0 HHADLN O=C(C1=NN(c2ccccc2)CC1=O)N1CCO[C@H](c2ccc(F)c(Cl)c2)C1 ZINC000486086245 998533914 /nfs/dbraw/zinc/53/39/14/998533914.db2.gz KBPWWWPJPOQFJO-SFHVURJKSA-N 0 2 401.825 3.584 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cc(C)cc(Br)c1 ZINC000486110597 998557585 /nfs/dbraw/zinc/55/75/85/998557585.db2.gz RUSSAQQRKQJXEV-UHFFFAOYSA-N 0 2 402.266 3.555 20 0 HHADLN CO[C@]1(C)CCCN(C(=O)c2sccc2S(=O)(=O)Nc2ccc(C)cc2)CC1 ZINC000477833401 998588778 /nfs/dbraw/zinc/58/87/78/998588778.db2.gz YMKRUCFQTYYGQL-HXUWFJFHSA-N 0 2 422.572 3.889 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N(C)Cc2cnccc2C)cc1 ZINC000477890084 998634903 /nfs/dbraw/zinc/63/49/03/998634903.db2.gz JUEXDNFESHLNNQ-UHFFFAOYSA-N 0 2 415.540 3.833 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ncc(Cl)cc2Cl)c1)c1ccc(F)c(F)c1F ZINC000486523563 998806976 /nfs/dbraw/zinc/80/69/76/998806976.db2.gz CZRIUIMAJXCHRG-UHFFFAOYSA-N 0 2 423.203 3.792 20 0 HHADLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3cc(-c4ccsc4)nn3C)cc(Cl)c2O1 ZINC000486549007 998820029 /nfs/dbraw/zinc/82/00/29/998820029.db2.gz MOLWXVMUQSLSAI-SNVBAGLBSA-N 0 2 409.920 3.926 20 0 HHADLN Cn1nc(-c2ccsc2)cc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000486556379 998824149 /nfs/dbraw/zinc/82/41/49/998824149.db2.gz AGNHDLJXYDBKTG-UHFFFAOYSA-N 0 2 416.297 3.851 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1nc2cc3c(cc2s1)OCCO3 ZINC000486571155 998833319 /nfs/dbraw/zinc/83/33/19/998833319.db2.gz LRGSEPMMSVMLTG-UHFFFAOYSA-N 0 2 412.876 3.530 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccoc1C(F)(F)F ZINC000486580598 998839160 /nfs/dbraw/zinc/83/91/60/998839160.db2.gz IRYPNFTZMLRXRM-UHFFFAOYSA-N 0 2 417.390 3.808 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 ZINC000486607709 998854274 /nfs/dbraw/zinc/85/42/74/998854274.db2.gz ARRSWKKVIULWEO-UHFFFAOYSA-N 0 2 411.892 3.677 20 0 HHADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000478293797 998869661 /nfs/dbraw/zinc/86/96/61/998869661.db2.gz MOIJBJOBYJAFDE-MRXNPFEDSA-N 0 2 411.845 3.937 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccnc(OCc2ccccc2)c1 ZINC000478325939 998889537 /nfs/dbraw/zinc/88/95/37/998889537.db2.gz LXFYOKVYCYIQKQ-UHFFFAOYSA-N 0 2 407.380 3.976 20 0 HHADLN CC(C)NC(=O)Nc1cccc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)c1 ZINC000478326581 998889811 /nfs/dbraw/zinc/88/98/11/998889811.db2.gz NHCQIAGQXIBPTR-UHFFFAOYSA-N 0 2 400.389 3.532 20 0 HHADLN Cc1ccc(Br)cc1S(=O)(=O)Nc1nc(-c2cccs2)ns1 ZINC000486808082 998948749 /nfs/dbraw/zinc/94/87/49/998948749.db2.gz GZBMELGQBLJMII-UHFFFAOYSA-N 0 2 416.347 3.560 20 0 HHADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000486845378 998969638 /nfs/dbraw/zinc/96/96/38/998969638.db2.gz MFSVUKRBNRIWIR-UHFFFAOYSA-N 0 2 417.487 3.506 20 0 HHADLN COc1cc(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)c(C)cc1C ZINC000478705318 999097743 /nfs/dbraw/zinc/09/77/43/999097743.db2.gz XGWYATHQNHCYMX-UHFFFAOYSA-N 0 2 400.859 3.864 20 0 HHADLN CC[C@H](C)c1nnc([C@@H](C)NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)[nH]1 ZINC000487213813 999099131 /nfs/dbraw/zinc/09/91/31/999099131.db2.gz COQJBIUIBGKLSU-VHSXEESVSA-N 0 2 405.915 3.795 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2cc(Br)ccc2OC)c1 ZINC000487311942 999131840 /nfs/dbraw/zinc/13/18/40/999131840.db2.gz FMAYTASDGKKPIB-UHFFFAOYSA-N 0 2 406.685 3.921 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC(c4c(F)cccc4F)CC3)=N2)cc1 ZINC000487331122 999137248 /nfs/dbraw/zinc/13/72/48/999137248.db2.gz FCVRGBXLMNRGNJ-UHFFFAOYSA-N 0 2 413.424 3.885 20 0 HHADLN CC[C@H](C)n1nc(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)cc1C ZINC000478969256 999228059 /nfs/dbraw/zinc/22/80/59/999228059.db2.gz WEAPVPNJXMQIMS-LBPRGKRZSA-N 0 2 419.532 3.672 20 0 HHADLN CCC[C@@H]1CCc2nc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)sc2C1 ZINC000479069307 999279534 /nfs/dbraw/zinc/27/95/34/999279534.db2.gz NWSZSZJDUHLEJE-SNVBAGLBSA-N 0 2 408.471 3.608 20 0 HHADLN COc1ccc(-c2cc3[nH]c(CSc4nc5cncnc5[nH]4)nc(=O)c3s2)cc1 ZINC000479181365 999313617 /nfs/dbraw/zinc/31/36/17/999313617.db2.gz XEEKUVUHCIXLOI-UHFFFAOYSA-N 0 2 422.495 3.619 20 0 HHADLN CCOCCOc1ccc(S(=O)(=O)Nc2nnc(/C=C/c3ccco3)s2)cc1 ZINC000479245879 999344263 /nfs/dbraw/zinc/34/42/63/999344263.db2.gz MPTDPVIGCHWKIK-JXMROGBWSA-N 0 2 421.500 3.518 20 0 HHADLN CN(Cc1cscn1)Cc1cccc(NS(=O)(=O)c2cccc(F)c2F)c1 ZINC000479271133 999358139 /nfs/dbraw/zinc/35/81/39/999358139.db2.gz BFGFFFDHYZROEW-UHFFFAOYSA-N 0 2 409.483 3.854 20 0 HHADLN Cc1ccc2nc(NS(=O)(=O)c3ccc(C(=O)N4CCCC4)c(F)c3)sc2c1 ZINC000479290510 999368070 /nfs/dbraw/zinc/36/80/70/999368070.db2.gz XONAMZKBRLJPTI-UHFFFAOYSA-N 0 2 419.503 3.781 20 0 HHADLN CC1CCCC(NC(=O)C(=O)Nc2cc(Br)ccc2N2CCCC2)C1C ZINC000479313261 999379630 /nfs/dbraw/zinc/37/96/30/999379630.db2.gz KMFJGUALSGTJED-YCPHGPKFSA-N 0 2 422.367 3.929 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2ccc(Br)c(C)c2)c(OC)c1 ZINC000488264702 999415981 /nfs/dbraw/zinc/41/59/81/999415981.db2.gz KLKJRGXPUUJTKB-UHFFFAOYSA-N 0 2 416.293 3.584 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000479497633 999444909 /nfs/dbraw/zinc/44/49/09/999444909.db2.gz BDXODRWHWQYMOG-UHFFFAOYSA-N 0 2 409.467 3.844 20 0 HHADLN Cc1ccn(-c2ccccc2NS(=O)(=O)c2ccc(Br)cc2F)n1 ZINC000479501591 999446793 /nfs/dbraw/zinc/44/67/93/999446793.db2.gz WOBYXVWSIKKEDR-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN COc1cc(NS(=O)(=O)c2c(C)cccc2F)cc(OC)c1Br ZINC000479509613 999451766 /nfs/dbraw/zinc/45/17/66/999451766.db2.gz KBOINUTTWLSJON-UHFFFAOYSA-N 0 2 404.257 3.715 20 0 HHADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(F)c(OC)c(F)c1 ZINC000479521358 999458065 /nfs/dbraw/zinc/45/80/65/999458065.db2.gz CYYZXLPINBDHGN-UHFFFAOYSA-N 0 2 421.849 3.843 20 0 HHADLN Cc1cccc(F)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000479524181 999459947 /nfs/dbraw/zinc/45/99/47/999459947.db2.gz GDPXHMUIZXEDDT-UHFFFAOYSA-N 0 2 418.412 3.790 20 0 HHADLN O=S(=O)(Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)c1cc(F)cc(F)c1 ZINC000488388290 999470653 /nfs/dbraw/zinc/47/06/53/999470653.db2.gz PWVVKAFRXQAXOR-LLVKDONJSA-N 0 2 403.834 3.834 20 0 HHADLN COc1cc(C)c(NS(=O)(=O)c2cc(F)c(Br)cc2F)cc1F ZINC000479548365 999471822 /nfs/dbraw/zinc/47/18/22/999471822.db2.gz DEVHKDATCGOTDO-UHFFFAOYSA-N 0 2 410.211 3.984 20 0 HHADLN CCCc1c(NS(=O)(=O)c2c(OC)cccc2OC)cnn1-c1cccc(F)c1 ZINC000479564746 999479972 /nfs/dbraw/zinc/47/99/72/999479972.db2.gz RJHIUEZVAPAWER-UHFFFAOYSA-N 0 2 419.478 3.782 20 0 HHADLN COCc1ccccc1S(=O)(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000488416600 999480924 /nfs/dbraw/zinc/48/09/24/999480924.db2.gz KSFMHCBOZIEDGL-UHFFFAOYSA-N 0 2 409.920 3.730 20 0 HHADLN O=S(=O)(Nc1cc(Cl)cc(C(F)(F)F)c1)c1cnn(C2CCOCC2)c1 ZINC000479570538 999482830 /nfs/dbraw/zinc/48/28/30/999482830.db2.gz PQBQTRRYRLMQSX-UHFFFAOYSA-N 0 2 409.817 3.708 20 0 HHADLN O=S(=O)(Nc1nc2ccc(I)cc2s1)c1ccccc1 ZINC000488446513 999489558 /nfs/dbraw/zinc/48/95/58/999489558.db2.gz ZPMBXGKBSUXSFJ-UHFFFAOYSA-N 0 2 416.265 3.702 20 0 HHADLN CCc1nc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)sc1C ZINC000488577224 999533740 /nfs/dbraw/zinc/53/37/40/999533740.db2.gz WXSFWUNKNXPTSQ-GFCCVEGCSA-N 0 2 416.952 3.883 20 0 HHADLN COc1cc(OC)c(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)c(OC)c1 ZINC000488582948 999535285 /nfs/dbraw/zinc/53/52/85/999535285.db2.gz QCGUOTZINNYLMO-UHFFFAOYSA-N 0 2 414.892 3.776 20 0 HHADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccc(OC2CCOCC2)cc1 ZINC000479766265 999580404 /nfs/dbraw/zinc/58/04/04/999580404.db2.gz LGUPSDWTQGMZMN-UHFFFAOYSA-N 0 2 400.385 3.560 20 0 HHADLN CSc1cc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)ccc1NC(C)=O ZINC000479766816 999580606 /nfs/dbraw/zinc/58/06/06/999580606.db2.gz ZBRCSWYNNLRMBO-UHFFFAOYSA-N 0 2 403.414 3.683 20 0 HHADLN COc1cccc2c1CCN(C(=O)N=c1nc(-c3cccc(Cl)c3)[nH]s1)CC2 ZINC000488773474 999602995 /nfs/dbraw/zinc/60/29/95/999602995.db2.gz WDTJTLPSDVVNNE-UHFFFAOYSA-N 0 2 414.918 3.922 20 0 HHADLN COC[C@@H](C)n1ccc(NS(=O)(=O)c2ccc(Oc3cccc(C)c3)cc2)n1 ZINC000488984226 999664295 /nfs/dbraw/zinc/66/42/95/999664295.db2.gz SCUYPABOMOOVHB-MRXNPFEDSA-N 0 2 401.488 3.992 20 0 HHADLN COC(=O)c1nscc1NS(=O)(=O)c1c(C)sc2ccc(Cl)cc21 ZINC000479982063 999672946 /nfs/dbraw/zinc/67/29/46/999672946.db2.gz COYYLWOBQZGGPT-UHFFFAOYSA-N 0 2 402.906 3.907 20 0 HHADLN CCCCN1CCc2ccc(NS(=O)(=O)c3cnn(-c4ccccn4)c3C)cc21 ZINC000479981857 999673031 /nfs/dbraw/zinc/67/30/31/999673031.db2.gz CLLBXDLAUAQBCD-UHFFFAOYSA-N 0 2 411.531 3.539 20 0 HHADLN CC(C)(C)c1ccc(OCc2ccc(C(=O)NCCCc3n[nH]c(=O)[nH]3)cc2)cc1 ZINC000480017771 999687859 /nfs/dbraw/zinc/68/78/59/999687859.db2.gz QESDSFGOUGAZCI-UHFFFAOYSA-N 0 2 408.502 3.749 20 0 HHADLN CCc1c(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)cnn1C(CC)CC ZINC000480198618 999742707 /nfs/dbraw/zinc/74/27/07/999742707.db2.gz IMEYFKJQBUAIGF-UHFFFAOYSA-N 0 2 410.931 3.612 20 0 HHADLN Cc1ccc(-n2ncc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2C(C)C)cc1 ZINC000480207696 999745545 /nfs/dbraw/zinc/74/55/45/999745545.db2.gz FLNPTSDINMKLJH-UHFFFAOYSA-N 0 2 413.499 3.876 20 0 HHADLN Cc1ccc(-n2ncc(NS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)c2C(C)C)cc1 ZINC000480215877 999747634 /nfs/dbraw/zinc/74/76/34/999747634.db2.gz HZFNVQXHEFNWHP-UHFFFAOYSA-N 0 2 424.526 3.624 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cnn1-c1cccc(C)c1 ZINC000480224694 999749750 /nfs/dbraw/zinc/74/97/50/999749750.db2.gz JXKXWUJJWMNCIU-UHFFFAOYSA-N 0 2 413.499 3.705 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)c1C ZINC000480243184 999754656 /nfs/dbraw/zinc/75/46/56/999754656.db2.gz DLCCJMXJFPQQEV-UKRRQHHQSA-N 0 2 411.499 3.518 20 0 HHADLN CCc1c(NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)cnn1-c1cccc(C)c1 ZINC000480243756 999754918 /nfs/dbraw/zinc/75/49/18/999754918.db2.gz FDIGOBOVEYIZRM-UHFFFAOYSA-N 0 2 412.515 3.527 20 0 HHADLN CCCCn1ncc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCC3)c1C(C)C ZINC000480251700 999756401 /nfs/dbraw/zinc/75/64/01/999756401.db2.gz SWAMNAUNRQGKEL-UHFFFAOYSA-N 0 2 418.563 3.907 20 0 HHADLN CC(C)c1c(NS(=O)(=O)c2ccc(C(N)=O)cc2)cnn1-c1ccccc1Cl ZINC000480251936 999756734 /nfs/dbraw/zinc/75/67/34/999756734.db2.gz UFWOMIZPGHYQEM-UHFFFAOYSA-N 0 2 418.906 3.549 20 0 HHADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C[C@@H](C)c2ccccc2)[C@@H](C)CO)=N1 ZINC000489498193 999778732 /nfs/dbraw/zinc/77/87/32/999778732.db2.gz PZJCQNVQCIVNED-SJORKVTESA-N 0 2 411.477 3.652 20 0 HHADLN Cc1cc(Cl)ccc1C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1 ZINC000480672558 999855713 /nfs/dbraw/zinc/85/57/13/999855713.db2.gz ZHCFQEHLGWURJF-UHFFFAOYSA-N 0 2 408.892 3.553 20 0 HHADLN CCOC(=O)c1cc(S(=O)(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)cn1C ZINC000491843950 1000097300 /nfs/dbraw/zinc/09/73/00/1000097300.db2.gz GBCCEIALEQPVRE-UHFFFAOYSA-N 0 2 424.482 3.546 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2nc3cc4c(cc3s2)OCCO4)c1 ZINC000492136982 1000110933 /nfs/dbraw/zinc/11/09/33/1000110933.db2.gz AIBSUZWKJNQIPS-UHFFFAOYSA-N 0 2 412.876 3.530 20 0 HHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2nc3ccc(NC(C)=O)cc3s2)c1 ZINC000492164372 1000113006 /nfs/dbraw/zinc/11/30/06/1000113006.db2.gz ZDZMXKUXSCUCOH-UHFFFAOYSA-N 0 2 411.892 3.718 20 0 HHADLN CN(C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000493125378 1000158626 /nfs/dbraw/zinc/15/86/26/1000158626.db2.gz DQMBYHQZGMCRSR-LJQANCHMSA-N 0 2 407.861 3.816 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC000493133130 1000159142 /nfs/dbraw/zinc/15/91/42/1000159142.db2.gz OQYQGNURIDHJTO-UHFFFAOYSA-N 0 2 412.490 3.979 20 0 HHADLN CCCc1csc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)OC)n1 ZINC000504536086 1000256461 /nfs/dbraw/zinc/25/64/61/1000256461.db2.gz KWLIXXPPVLRCSD-UHFFFAOYSA-N 0 2 408.423 3.702 20 0 HHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccccc2)cc1NC(=O)c1ccc(F)cn1 ZINC000505070812 1000535521 /nfs/dbraw/zinc/53/55/21/1000535521.db2.gz GWHBVKMEHNFSMU-UHFFFAOYSA-N 0 2 403.410 3.721 20 0 HHADLN Cc1noc2ncc(S(=O)(=O)Nc3ccc(Cl)cc3OCC(F)(F)F)cc12 ZINC000505331366 1000706621 /nfs/dbraw/zinc/70/66/21/1000706621.db2.gz XKDPQSQTWIKIFI-UHFFFAOYSA-N 0 2 421.784 3.927 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccccc2N2CCCCC2)c1 ZINC000506552072 1001457629 /nfs/dbraw/zinc/45/76/29/1001457629.db2.gz ABJNSELMEGSXMS-UHFFFAOYSA-N 0 2 418.515 3.663 20 0 HHADLN CS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)cc1 ZINC000506600564 1001468065 /nfs/dbraw/zinc/46/80/65/1001468065.db2.gz LKQBUNWOYDGWRH-UHFFFAOYSA-N 0 2 413.826 3.563 20 0 HHADLN CC(C)Cn1ncc(NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1C1CC1 ZINC000497650268 1001472632 /nfs/dbraw/zinc/47/26/32/1001472632.db2.gz CQLVIDSQROKIGB-UHFFFAOYSA-N 0 2 400.508 3.791 20 0 HHADLN CSc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)c1 ZINC000497797485 1001516789 /nfs/dbraw/zinc/51/67/89/1001516789.db2.gz AUUJRIGDJYUHDO-UHFFFAOYSA-N 0 2 420.541 3.622 20 0 HHADLN COC(=O)c1cc(C)nc2nc(NS(=O)(=O)c3csc4ccccc43)sc21 ZINC000506813485 1001544858 /nfs/dbraw/zinc/54/48/58/1001544858.db2.gz GKMSDNVUIVOXFS-UHFFFAOYSA-N 0 2 419.509 3.802 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)c1 ZINC000506831430 1001554854 /nfs/dbraw/zinc/55/48/54/1001554854.db2.gz XGZNYQYWXJBFJO-UHFFFAOYSA-N 0 2 410.904 3.856 20 0 HHADLN CCOC(=O)Cc1csc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)n1 ZINC000506849243 1001563762 /nfs/dbraw/zinc/56/37/62/1001563762.db2.gz QPXWKHLJYLPODD-UHFFFAOYSA-N 0 2 402.497 3.717 20 0 HHADLN Cc1cnn(C)c1S(=O)(=O)Nc1nc(C2CC2)c(Cc2ccc(F)cc2)s1 ZINC000506863608 1001571113 /nfs/dbraw/zinc/57/11/13/1001571113.db2.gz XNIUINHUTQUCGV-UHFFFAOYSA-N 0 2 406.508 3.593 20 0 HHADLN O=C(COCc1cccnc1)N=c1nc(-c2cccc(Oc3ccccc3)c2)[nH]s1 ZINC000498000371 1001598478 /nfs/dbraw/zinc/59/84/78/1001598478.db2.gz GEOAVQNBZQALKX-UHFFFAOYSA-N 0 2 418.478 3.970 20 0 HHADLN CC(=O)Nc1cc(F)c(F)cc1NS(=O)(=O)c1cc(C)ccc1Br ZINC000498033624 1001615003 /nfs/dbraw/zinc/61/50/03/1001615003.db2.gz MZUMJWACAWKXMI-UHFFFAOYSA-N 0 2 419.247 3.795 20 0 HHADLN O=C(c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1)N1CCc2ccccc21 ZINC000498394079 1001822710 /nfs/dbraw/zinc/82/27/10/1001822710.db2.gz ARFOXBUOVCPAMF-UHFFFAOYSA-N 0 2 414.433 3.969 20 0 HHADLN Cc1oc(C(C)C)cc1C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1 ZINC000507483248 1002098208 /nfs/dbraw/zinc/09/82/08/1002098208.db2.gz GRPHSGCFAFAGHF-UHFFFAOYSA-N 0 2 406.489 3.616 20 0 HHADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(F)cc1OC1CCOCC1 ZINC000507595392 1002201891 /nfs/dbraw/zinc/20/18/91/1002201891.db2.gz IPYBPXDQRHLJBH-UHFFFAOYSA-N 0 2 415.870 3.846 20 0 HHADLN CNC(=O)Nc1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)ccc1F ZINC000507606278 1002212432 /nfs/dbraw/zinc/21/24/32/1002212432.db2.gz OWUVINUXUUBBEA-UHFFFAOYSA-N 0 2 409.336 3.536 20 0 HHADLN Cc1c(S(=O)(=O)Nc2ccc3nc(C(F)F)sc3c2)cnn1-c1ccccn1 ZINC000507620209 1002224596 /nfs/dbraw/zinc/22/45/96/1002224596.db2.gz YRVZNXHGQROEBC-UHFFFAOYSA-N 0 2 421.454 3.924 20 0 HHADLN CCOC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)c1 ZINC000507886757 1002419318 /nfs/dbraw/zinc/41/93/18/1002419318.db2.gz IAWABLMCNSGPHW-UHFFFAOYSA-N 0 2 419.499 3.902 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2cncc(Br)c2)c2ncccc12 ZINC000507903596 1002438397 /nfs/dbraw/zinc/43/83/97/1002438397.db2.gz QSBYSLFMSCVTBC-UHFFFAOYSA-N 0 2 408.277 3.592 20 0 HHADLN Cn1ncc(NS(=O)(=O)c2cc(Cl)ccc2C(F)(F)F)c1C(F)(F)F ZINC000507951902 1002484886 /nfs/dbraw/zinc/48/48/86/1002484886.db2.gz QJAQUIKHYOPOGA-UHFFFAOYSA-N 0 2 407.723 3.912 20 0 HHADLN CCCCN1C(=O)CC[C@H](C(=O)Nc2ccc3nn[nH]c3c2)[C@@H]1c1ccc(OC)cc1 ZINC000508020561 1002544567 /nfs/dbraw/zinc/54/45/67/1002544567.db2.gz AALSXZXDSPOUEO-AVRDEDQJSA-N 0 2 421.501 3.685 20 0 HHADLN O=S(=O)(Nc1ncc(-c2cccnc2)s1)c1cccc(OC(F)(F)F)c1 ZINC000508066208 1002586742 /nfs/dbraw/zinc/58/67/42/1002586742.db2.gz AQEYNJSBVJFLRO-UHFFFAOYSA-N 0 2 401.391 3.905 20 0 HHADLN O=S(=O)(Nc1ncc(-c2ccccn2)s1)c1ccc(Br)c(F)c1 ZINC000508070251 1002591965 /nfs/dbraw/zinc/59/19/65/1002591965.db2.gz UPTLFVNZGGXPAH-UHFFFAOYSA-N 0 2 414.281 3.908 20 0 HHADLN O=S(=O)([N-]c1ccc(Cn2cc[nH+]c2)cn1)c1cc(Cl)ccc1C(F)(F)F ZINC000508074493 1002595852 /nfs/dbraw/zinc/59/58/52/1002595852.db2.gz QMHPHEQLOKUGGS-UHFFFAOYSA-N 0 2 416.812 3.799 20 0 HHADLN COC(=O)c1c(C)csc1NS(=O)(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000508073764 1002595874 /nfs/dbraw/zinc/59/58/74/1002595874.db2.gz MNVDWWBWYLLSSC-UHFFFAOYSA-N 0 2 409.407 3.585 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nc3c(s2)CSCC3)sc1Br ZINC000508074055 1002596144 /nfs/dbraw/zinc/59/61/44/1002596144.db2.gz NLUACUGVTIEONS-UHFFFAOYSA-N 0 2 411.393 3.866 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nc3c(cccc3Br)s2)cn1 ZINC000508087689 1002610408 /nfs/dbraw/zinc/61/04/08/1002610408.db2.gz XGIFUZJYVPWMRF-UHFFFAOYSA-N 0 2 414.306 3.653 20 0 HHADLN Cc1cc(Br)ccc1S(=O)(=O)Nc1nc2c(s1)CSCC2 ZINC000508115881 1002645340 /nfs/dbraw/zinc/64/53/40/1002645340.db2.gz JRSVRKGMPBYHDI-UHFFFAOYSA-N 0 2 405.364 3.804 20 0 HHADLN C[C@H]1Cc2cc(S(=O)(=O)Nc3ncc(-c4ccccn4)s3)cc(Cl)c2O1 ZINC000508121536 1002649667 /nfs/dbraw/zinc/64/96/67/1002649667.db2.gz XYCVSLXDRLHQBG-JTQLQIEISA-N 0 2 407.904 3.983 20 0 HHADLN CC(=O)N1c2ccc(S(=O)(=O)Nc3cnn(CC(C)C)c3C(C)C)cc2C[C@H]1C ZINC000499276179 1002682740 /nfs/dbraw/zinc/68/27/40/1002682740.db2.gz XHDRPGOQNOUZIR-OAHLLOKOSA-N 0 2 418.563 3.761 20 0 HHADLN Cc1csc(-c2cccc(NS(=O)(=O)c3cnc4c(Cl)c(C)nn4c3)c2)n1 ZINC000499288448 1002699308 /nfs/dbraw/zinc/69/93/08/1002699308.db2.gz VKKQZQVACYCVKQ-UHFFFAOYSA-N 0 2 419.919 3.924 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(F)cc1C(F)(F)F ZINC000508190169 1002725110 /nfs/dbraw/zinc/72/51/10/1002725110.db2.gz KEQIGDXUKOSBJA-UHFFFAOYSA-N 0 2 405.304 3.834 20 0 HHADLN O=S(=O)(Nc1nc2ccc(Br)cn2n1)c1csc2ccccc21 ZINC000508192237 1002726531 /nfs/dbraw/zinc/72/65/31/1002726531.db2.gz DNAWOJOGQWULIO-UHFFFAOYSA-N 0 2 409.290 3.507 20 0 HHADLN CCOC(=O)Cc1cccc(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)c1 ZINC000508210759 1002742162 /nfs/dbraw/zinc/74/21/62/1002742162.db2.gz WWVXVVMJWBAROE-UHFFFAOYSA-N 0 2 417.487 3.630 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3ccc(F)cc3)o2)ccc1Br ZINC000508237178 1002763344 /nfs/dbraw/zinc/76/33/44/1002763344.db2.gz RVCVSKBPIIDHOI-UHFFFAOYSA-N 0 2 412.240 3.747 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2cccc3cc(C)cnc32)c1OC(C)C ZINC000499495487 1002883700 /nfs/dbraw/zinc/88/37/00/1002883700.db2.gz XBDLEVVRFCKXCN-UHFFFAOYSA-N 0 2 414.483 3.918 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCC[C@@H](Oc4ncccc4F)C3)=N2)c1 ZINC000508483113 1002967470 /nfs/dbraw/zinc/96/74/70/1002967470.db2.gz IAWYUIGKYDGJCJ-GOSISDBHSA-N 0 2 424.476 3.919 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC[C@@H]3c3cc(OC)ccc3OC)=N2)cc1 ZINC000499716591 1003065872 /nfs/dbraw/zinc/06/58/72/1003065872.db2.gz ZWQYCSIPJVAOAR-LJQANCHMSA-N 0 2 423.469 3.581 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)NC[C@@H]3CCCO[C@H]3c3ccc(C)cc3)=N2)cc1 ZINC000499815725 1003151290 /nfs/dbraw/zinc/15/12/90/1003151290.db2.gz LMFZORQQDXXJBS-MBSDFSHPSA-N 0 2 421.497 3.793 20 0 HHADLN COc1ccc(-n2cc([O-])c(C(=O)N[C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)n2)cc1 ZINC000499839532 1003176693 /nfs/dbraw/zinc/17/66/93/1003176693.db2.gz PTWQXQYYHGLWNK-HNNXBMFYSA-N 0 2 417.469 3.572 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3C[C@@H](c4cc(C)ccc4C)OC[C@@H]3C)=N2)cc1 ZINC000499863771 1003200504 /nfs/dbraw/zinc/20/05/04/1003200504.db2.gz RASVFXDAOHIZFO-JTSKRJEESA-N 0 2 421.497 3.806 20 0 HHADLN C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000500013367 1003340101 /nfs/dbraw/zinc/34/01/01/1003340101.db2.gz XXJUSCVKLVYYRQ-BFUOFWGJSA-N 0 2 415.852 3.973 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N3CCCCC[C@@H]3[C@@H]3CCCCC3=O)=N2)cc1 ZINC000500126632 1003488254 /nfs/dbraw/zinc/48/82/54/1003488254.db2.gz XKZAPJSJVLGACT-RBUKOAKNSA-N 0 2 411.502 3.731 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H]3CCCO[C@H]3c3ccc(C)cc3)=N2)cc1 ZINC000500150331 1003506263 /nfs/dbraw/zinc/50/62/63/1003506263.db2.gz UPIFKTKFWQLADR-KNQAVFIVSA-N 0 2 407.470 3.545 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccccc1-c1nncn1C(C)C ZINC000509088649 1003544499 /nfs/dbraw/zinc/54/44/99/1003544499.db2.gz DODMEUQPFMSZME-UHFFFAOYSA-N 0 2 400.504 3.952 20 0 HHADLN CO[C@H](C)CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1Cl ZINC000509094008 1003548070 /nfs/dbraw/zinc/54/80/70/1003548070.db2.gz AAUNVTNORQWZLI-LLVKDONJSA-N 0 2 400.859 3.508 20 0 HHADLN O=S(=O)(Nc1ccn(Cc2ccncc2)n1)c1ccc(OCc2ccccc2)cc1 ZINC000500289722 1003601829 /nfs/dbraw/zinc/60/18/29/1003601829.db2.gz MIGWYEWUDGQJLD-UHFFFAOYSA-N 0 2 420.494 3.706 20 0 HHADLN Cc1cc(C[C@@H](C)NC(=O)C2=NN(c3ccc(F)cc3)CC2=O)n(-c2ccccc2)n1 ZINC000500291317 1003603584 /nfs/dbraw/zinc/60/35/84/1003603584.db2.gz PSZDLHHTQSDMRY-OAHLLOKOSA-N 0 2 419.460 3.572 20 0 HHADLN CCOc1cc(NS(=O)(=O)c2cc(Br)ccc2F)ccc1OC ZINC000500315874 1003618883 /nfs/dbraw/zinc/61/88/83/1003618883.db2.gz MDJRIPSXJGVASA-UHFFFAOYSA-N 0 2 404.257 3.796 20 0 HHADLN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1nnc(-c2ccccn2)s1 ZINC000509206146 1003623884 /nfs/dbraw/zinc/62/38/84/1003623884.db2.gz UFBUQVXPUCFULU-UHFFFAOYSA-N 0 2 400.407 3.728 20 0 HHADLN C[C@@H](NS(=O)(=O)c1c(F)c(F)cc(F)c1F)c1cnn(Cc2ccccc2)c1 ZINC000509227359 1003638728 /nfs/dbraw/zinc/63/87/28/1003638728.db2.gz ZDAQLADODXOFTK-LLVKDONJSA-N 0 2 413.396 3.527 20 0 HHADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nnc(C(C)(C)c2ccccc2)o1 ZINC000509241772 1003648191 /nfs/dbraw/zinc/64/81/91/1003648191.db2.gz SZCDYZAVBMKFBX-UHFFFAOYSA-N 0 2 401.488 3.822 20 0 HHADLN O=S(=O)(Nc1nnc(CCCc2cccs2)o1)c1cnc2ccccc2c1 ZINC000509242741 1003649165 /nfs/dbraw/zinc/64/91/65/1003649165.db2.gz YPOAJRGHVKONEM-UHFFFAOYSA-N 0 2 400.485 3.655 20 0 HHADLN CO[C@H]1CCC[C@H](Oc2ccnc(NS(=O)(=O)c3cc(C)c(Cl)s3)n2)C1 ZINC000500567711 1003787796 /nfs/dbraw/zinc/78/77/96/1003787796.db2.gz MVKWUVZAXUIPQE-RYUDHWBXSA-N 0 2 417.940 3.637 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](C)c3ncc(-c4ccccc4)o3)=N2)cc1 ZINC000500579118 1003796012 /nfs/dbraw/zinc/79/60/12/1003796012.db2.gz ROCCINAAZFLRLX-AWEZNQCLSA-N 0 2 404.426 3.733 20 0 HHADLN COc1ccc(N2CC(=O)C(C(=O)N[C@H](C)c3ncc(-c4ccccc4)o3)=N2)cc1 ZINC000500579119 1003796141 /nfs/dbraw/zinc/79/61/41/1003796141.db2.gz ROCCINAAZFLRLX-CQSZACIVSA-N 0 2 404.426 3.733 20 0 HHADLN COc1ccc(-c2ccc(C)c(NS(=O)(=O)c3c(OC)cccc3OC)c2)cn1 ZINC000509395513 1003825816 /nfs/dbraw/zinc/82/58/16/1003825816.db2.gz CMSCKHNBPDSENU-UHFFFAOYSA-N 0 2 414.483 3.884 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)c(F)c1N1CCOCC1)c1cccc2cccnc21 ZINC000509397127 1003827949 /nfs/dbraw/zinc/82/79/49/1003827949.db2.gz QPINMXLEQGKWJI-UHFFFAOYSA-N 0 2 421.881 3.665 20 0 HHADLN COc1ccc(C[C@@H]2CCCN(C(=O)C3=NN(c4ccc(F)cc4)CC3=O)C2)cc1 ZINC000500631803 1003846484 /nfs/dbraw/zinc/84/64/84/1003846484.db2.gz BFAKJUALRLKFNM-KRWDZBQOSA-N 0 2 409.461 3.821 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Sc2ncccn2)cc1C ZINC000509554547 1003941812 /nfs/dbraw/zinc/94/18/12/1003941812.db2.gz KBFZYSSLNWWGRW-UHFFFAOYSA-N 0 2 421.525 3.585 20 0 HHADLN O=S(=O)(Nc1cccc(NS(=O)(=O)c2cccc(F)c2F)c1)c1ccccc1 ZINC000509560677 1003945237 /nfs/dbraw/zinc/94/52/37/1003945237.db2.gz XJTCUYKTLZSXGH-UHFFFAOYSA-N 0 2 424.450 3.566 20 0 HHADLN O=S(=O)(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1cccc(F)c1F ZINC000509594074 1003967716 /nfs/dbraw/zinc/96/77/16/1003967716.db2.gz ZEEYCTMQYFAZTJ-UHFFFAOYSA-N 0 2 403.332 3.970 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-c2ccnc(C)n2)c1 ZINC000509603502 1003973345 /nfs/dbraw/zinc/97/33/45/1003973345.db2.gz REUVGCLRQCVAJJ-UHFFFAOYSA-N 0 2 417.874 3.693 20 0 HHADLN O=S(=O)(Nc1nc2c(ccc(F)c2F)s1)c1cncc(Br)c1 ZINC000500872588 1004019022 /nfs/dbraw/zinc/01/90/22/1004019022.db2.gz AIJGMHXXJBNGGA-UHFFFAOYSA-N 0 2 406.233 3.533 20 0 HHADLN CO[C@@H](C)c1nc(=NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)s[n-]1 ZINC000509679663 1004024704 /nfs/dbraw/zinc/02/47/04/1004024704.db2.gz OYIZHSYGLIPQRZ-WMLDXEAASA-N 0 2 400.573 3.940 20 0 HHADLN CO[C@@H](C)c1nc(=NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)s[n-]1 ZINC000509679663 1004024715 /nfs/dbraw/zinc/02/47/15/1004024715.db2.gz OYIZHSYGLIPQRZ-WMLDXEAASA-N 0 2 400.573 3.940 20 0 HHADLN CO[C@H](C)c1nsc(NCC2(c3ccc(Br)cc3)CCOCC2)n1 ZINC000509727343 1004055291 /nfs/dbraw/zinc/05/52/91/1004055291.db2.gz DFPSLCOAPBYWLW-GFCCVEGCSA-N 0 2 412.353 3.590 20 0 HHADLN CN1c2ccc(S(=O)(=O)Nc3cc(Cl)c(Cl)cn3)c3cccc(c23)C1=O ZINC000512342305 1004229631 /nfs/dbraw/zinc/22/96/31/1004229631.db2.gz JTVXFPOOTXDVTL-UHFFFAOYSA-N 0 2 408.266 3.932 20 0 HHADLN CN1c2ccc(S(=O)(=O)Nc3nc4ccsc4s3)c3cccc(c23)C1=O ZINC000512343477 1004230878 /nfs/dbraw/zinc/23/08/78/1004230878.db2.gz PYGZTCYMYVJJFH-UHFFFAOYSA-N 0 2 401.494 3.902 20 0 HHADLN Cc1cnc2c(cccc2S(=O)(=O)Nc2nc(-c3cccc(Cl)c3)ns2)c1 ZINC000512358973 1004245301 /nfs/dbraw/zinc/24/53/01/1004245301.db2.gz ZAHUKCSFXDEUEX-UHFFFAOYSA-N 0 2 416.915 3.938 20 0 HHADLN O=C1NCCN1Cc1ccccc1NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000510125878 1004342327 /nfs/dbraw/zinc/34/23/27/1004342327.db2.gz VRVHIWDZUWLJMY-UHFFFAOYSA-N 0 2 415.902 3.819 20 0 HHADLN O=S(=O)(Nc1nccs1)c1cccc(NCc2c[nH]c(-c3ccccc3)n2)c1 ZINC000512664202 1004475630 /nfs/dbraw/zinc/47/56/30/1004475630.db2.gz XVTAIHMZIAFANY-UHFFFAOYSA-N 0 2 411.512 3.946 20 0 HHADLN CCOc1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1C(=O)OC ZINC000512752919 1004538103 /nfs/dbraw/zinc/53/81/03/1004538103.db2.gz STNACBHTGQRUGX-UHFFFAOYSA-N 0 2 404.271 3.980 20 0 HHADLN COC(=O)c1csc(S(=O)(=O)Nc2ccc(Oc3ccc(C)cc3)nc2)c1 ZINC000501831104 1004764005 /nfs/dbraw/zinc/76/40/05/1004764005.db2.gz UBCBNSCSOZYRTA-UHFFFAOYSA-N 0 2 404.469 3.831 20 0 HHADLN Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000501984813 1004846186 /nfs/dbraw/zinc/84/61/86/1004846186.db2.gz MYWUDIPOBUJQNS-HNNXBMFYSA-N 0 2 410.236 3.556 20 0 HHADLN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000502090511 1004898081 /nfs/dbraw/zinc/89/80/81/1004898081.db2.gz GLPHSMDLEYXCBA-SECBINFHSA-N 0 2 406.262 3.887 20 0 HHADLN C[C@H](C(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)n1cccn1 ZINC000513355221 1004924233 /nfs/dbraw/zinc/92/42/33/1004924233.db2.gz KLKPHMURVFBMKD-GFCCVEGCSA-N 0 2 422.869 3.676 20 0 HHADLN CC(C)c1ccc(O[C@@H](C)CNC(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000502302143 1005000875 /nfs/dbraw/zinc/00/08/75/1005000875.db2.gz JXZXFMLMHCPWJW-KRWDZBQOSA-N 0 2 423.517 3.774 20 0 HHADLN Cc1ccc(C(=O)NCC(F)(F)F)cc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000511149450 1005045637 /nfs/dbraw/zinc/04/56/37/1005045637.db2.gz GXLAFAUIACHMQN-UHFFFAOYSA-N 0 2 424.803 3.880 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2cccc3ccccc32)c1 ZINC000502414006 1005065914 /nfs/dbraw/zinc/06/59/14/1005065914.db2.gz JUZZXJRRAHMIOA-UHFFFAOYSA-N 0 2 403.431 3.965 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CC(C)(C)O[C@]4(CCCOC4)C3)=N2)c1 ZINC000511196360 1005069862 /nfs/dbraw/zinc/06/98/62/1005069862.db2.gz ADUNHOHDWVXPBV-HSZRJFAPSA-N 0 2 413.518 3.502 20 0 HHADLN CC(C)(C)c1nc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)no1 ZINC000502422765 1005069919 /nfs/dbraw/zinc/06/99/19/1005069919.db2.gz AMJYJEINSMGFMG-UHFFFAOYSA-N 0 2 412.668 3.723 20 0 HHADLN O=S(=O)(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1cc(F)ccc1F ZINC000511205024 1005073273 /nfs/dbraw/zinc/07/32/73/1005073273.db2.gz AKOKDGSDVIGNFE-UHFFFAOYSA-N 0 2 403.332 3.970 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cnc1N1CCCC[C@@H]1C ZINC000502431966 1005074118 /nfs/dbraw/zinc/07/41/18/1005074118.db2.gz NOFLNCCLQWQFCR-KRWDZBQOSA-N 0 2 411.531 3.755 20 0 HHADLN Cc1cc(Br)c(C(=O)N=c2nc(-c3cccnc3)[nH]s2)cc1Cl ZINC000502523290 1005101533 /nfs/dbraw/zinc/10/15/33/1005101533.db2.gz XLKMRSXHWCHXFE-UHFFFAOYSA-N 0 2 409.696 3.999 20 0 HHADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(Oc2cccnc2)c(C)c1 ZINC000511702851 1005283727 /nfs/dbraw/zinc/28/37/27/1005283727.db2.gz YFDHRJGVIZCEJA-UHFFFAOYSA-N 0 2 416.455 3.980 20 0 HHADLN CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CCO1 ZINC000514168761 1005297156 /nfs/dbraw/zinc/29/71/56/1005297156.db2.gz AURXVBCKHQEMTD-YOEHRIQHSA-N 0 2 423.560 3.724 20 0 HHADLN O=C(N[C@@H](c1cccc2ccccc21)C(F)(F)F)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1 ZINC000511777314 1005321466 /nfs/dbraw/zinc/32/14/66/1005321466.db2.gz SAMBAZOFHXIRQO-HNNXBMFYSA-N 0 2 414.343 3.623 20 0 HHADLN O=S(=O)(c1cnc2ccsc2c1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 ZINC000503244409 1005375643 /nfs/dbraw/zinc/37/56/43/1005375643.db2.gz SEIRPQDXWNWTMJ-INIZCTEOSA-N 0 2 411.512 3.607 20 0 HHADLN O=C(Cc1ccc(OCc2ccccn2)cc1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000503757044 1005489793 /nfs/dbraw/zinc/48/97/93/1005489793.db2.gz NDIVTLIKROEDTJ-UHFFFAOYSA-N 0 2 408.508 3.844 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1ccc2c(C)n[nH]c2c1 ZINC000504053301 1005541447 /nfs/dbraw/zinc/54/14/47/1005541447.db2.gz NUNJMWYZSNDWFY-UHFFFAOYSA-N 0 2 414.256 3.582 20 0 HHADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1ccc2c(C)[nH]nc2c1 ZINC000504053301 1005541449 /nfs/dbraw/zinc/54/14/49/1005541449.db2.gz NUNJMWYZSNDWFY-UHFFFAOYSA-N 0 2 414.256 3.582 20 0 HHADLN CCOC(=O)c1cc(F)c(OC)c(S(=O)(=O)Nc2cc(SC)ccc2C)c1 ZINC000504058341 1005542514 /nfs/dbraw/zinc/54/25/14/1005542514.db2.gz NYURNTZDYBJIGB-UHFFFAOYSA-N 0 2 413.492 3.842 20 0 HHADLN COC(=O)c1cccc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)c1 ZINC000504268635 1005586152 /nfs/dbraw/zinc/58/61/52/1005586152.db2.gz YVJGJNWVQIDHFP-UHFFFAOYSA-N 0 2 422.659 3.829 20 0 HHADLN Cc1ccc(CO)cc1NS(=O)(=O)c1c(Cl)cc(F)cc1Br ZINC000504293299 1005591227 /nfs/dbraw/zinc/59/12/27/1005591227.db2.gz MUNQOYFIOKEVBP-UHFFFAOYSA-N 0 2 408.676 3.843 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000531103060 1005995418 /nfs/dbraw/zinc/99/54/18/1005995418.db2.gz ILYAHMVTHFRTCL-MRXNPFEDSA-N 0 2 410.474 3.893 20 0 HHADLN O=C(NC1CC1)c1ccc(CN(C(=O)c2cc(F)cc(Cl)c2O)C2CC2)cc1 ZINC000531117064 1006002405 /nfs/dbraw/zinc/00/24/05/1006002405.db2.gz PVFABZNSLUQWCH-UHFFFAOYSA-N 0 2 402.853 3.882 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)nc(C(C)(C)C)n2C ZINC000534057997 1006029442 /nfs/dbraw/zinc/02/94/42/1006029442.db2.gz FZDJTAOGWLNFGS-UHFFFAOYSA-N 0 2 419.478 3.597 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc2c(c1)[nH+]c(C(C)(C)C)n2C ZINC000534057997 1006029454 /nfs/dbraw/zinc/02/94/54/1006029454.db2.gz FZDJTAOGWLNFGS-UHFFFAOYSA-N 0 2 419.478 3.597 20 0 HHADLN Cc1cc(NS(=O)(=O)c2cc3cc(Cl)ccc3s2)ccc1-n1cnnn1 ZINC000531194351 1006039394 /nfs/dbraw/zinc/03/93/94/1006039394.db2.gz XCYDICWPDYGJGG-UHFFFAOYSA-N 0 2 405.892 3.640 20 0 HHADLN CCOc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c(C)c1 ZINC000531211663 1006050473 /nfs/dbraw/zinc/05/04/73/1006050473.db2.gz DHGPKDSCSFLFCE-UHFFFAOYSA-N 0 2 407.492 3.776 20 0 HHADLN CCc1cccc(OCC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)c1 ZINC000531252872 1006071927 /nfs/dbraw/zinc/07/19/27/1006071927.db2.gz IBWYOGVYIKTXKX-UHFFFAOYSA-N 0 2 417.512 3.524 20 0 HHADLN Cc1cc(NS(=O)(=O)c2csc3ccc(Cl)cc32)n(-c2ncccn2)n1 ZINC000531278087 1006089146 /nfs/dbraw/zinc/08/91/46/1006089146.db2.gz LIBHUTDMGRZGBJ-UHFFFAOYSA-N 0 2 405.892 3.640 20 0 HHADLN COc1ccc(C2(CNC(=O)N=c3nc(-c4ccccc4)[nH]s3)CCOCC2)cc1 ZINC000531341782 1006134561 /nfs/dbraw/zinc/13/45/61/1006134561.db2.gz DVHMNPDEDDZDHG-UHFFFAOYSA-N 0 2 424.526 3.506 20 0 HHADLN COc1ccc(CN(C)C(=O)N=c2nc(-c3ccccc3)[nH]s2)cc1OC(F)F ZINC000531342163 1006135555 /nfs/dbraw/zinc/13/55/55/1006135555.db2.gz ZBXMQUZARRPZGD-UHFFFAOYSA-N 0 2 420.441 3.901 20 0 HHADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cn(CC(C)C)nc2C(F)F)cc1 ZINC000534164553 1006148032 /nfs/dbraw/zinc/14/80/32/1006148032.db2.gz YYVLYGJNPFHGEX-UHFFFAOYSA-N 0 2 400.451 3.626 20 0 HHADLN COC(=O)c1ccccc1NS(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000514885165 1006185607 /nfs/dbraw/zinc/18/56/07/1006185607.db2.gz UUARWZDZUGYCNU-UHFFFAOYSA-N 0 2 421.272 3.585 20 0 HHADLN CCCC(=O)Nc1cccc(CNC(=O)C2=NN(c3ccc(F)cc3C)CC2=O)c1 ZINC000531430012 1006190310 /nfs/dbraw/zinc/19/03/10/1006190310.db2.gz NGBRTGRQEUDOIM-UHFFFAOYSA-N 0 2 410.449 3.694 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccccc1OC(F)F ZINC000531450399 1006204658 /nfs/dbraw/zinc/20/46/58/1006204658.db2.gz WOKQJSPRUNAYNU-UHFFFAOYSA-N 0 2 415.418 3.670 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N(C)CCCC(=O)OC(C)(C)C)=N2)c1 ZINC000531459938 1006210889 /nfs/dbraw/zinc/21/08/89/1006210889.db2.gz BVRRNDAHEOZIIE-UHFFFAOYSA-N 0 2 401.507 3.895 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2OCC(F)F)cc1F ZINC000515087002 1006279513 /nfs/dbraw/zinc/27/95/13/1006279513.db2.gz FGDUJKNITRKVBE-UHFFFAOYSA-N 0 2 423.796 3.710 20 0 HHADLN O=C(C/C=C\c1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000534291181 1006284553 /nfs/dbraw/zinc/28/45/53/1006284553.db2.gz ZCPCQPDTEALSIY-UPHRSURJSA-N 0 2 418.475 3.520 20 0 HHADLN O=S(=O)(Nc1cnn(-c2ccccc2F)c1)c1ccc(F)cc1Br ZINC000531780614 1006421957 /nfs/dbraw/zinc/42/19/57/1006421957.db2.gz RQNFKLDSAMCOGR-UHFFFAOYSA-N 0 2 414.231 3.714 20 0 HHADLN O=S(=O)(Nc1ccnn1Cc1cnn(-c2ccccc2)c1)c1cccc(Cl)c1 ZINC000534672571 1006649966 /nfs/dbraw/zinc/64/99/66/1006649966.db2.gz FZYQALXCGOJFSC-UHFFFAOYSA-N 0 2 413.890 3.571 20 0 HHADLN CC[C@H](C)[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000532155322 1006679281 /nfs/dbraw/zinc/67/92/81/1006679281.db2.gz SNFQOXGUJHDRBW-YOEHRIQHSA-N 0 2 407.561 3.985 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NC1(c2ccc3c(c2)OCO3)CC1 ZINC000515921933 1006765407 /nfs/dbraw/zinc/76/54/07/1006765407.db2.gz MEFYNNFJDBVHCL-UHFFFAOYSA-N 0 2 414.874 3.820 20 0 HHADLN O=C1Nc2ccc(S(=O)(=O)Nc3cnn(-c4ccccc4F)c3)c3cccc1c23 ZINC000532291383 1006775454 /nfs/dbraw/zinc/77/54/54/1006775454.db2.gz QELPHQYZUVYIGR-UHFFFAOYSA-N 0 2 408.414 3.531 20 0 HHADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Cl)c(Br)c1 ZINC000532292043 1006776298 /nfs/dbraw/zinc/77/62/98/1006776298.db2.gz ZMHBOHFLEYEAGL-UHFFFAOYSA-N 0 2 410.698 3.751 20 0 HHADLN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1cccc(OCC(F)F)n1 ZINC000534791750 1006794599 /nfs/dbraw/zinc/79/45/99/1006794599.db2.gz SHHYJTBXQMKTEK-UHFFFAOYSA-N 0 2 424.205 3.525 20 0 HHADLN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@@H]([N@H+](C)Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000516381234 1007053089 /nfs/dbraw/zinc/05/30/89/1007053089.db2.gz CGEBUHWZOYNLGX-QGZVFWFLSA-N 0 2 421.280 3.764 20 0 HHADLN Cc1cc(C(=O)[O-])ccc1N1C(=O)C[C@@H]([N@@H+](C)Cc2ccc(Cl)c(Cl)c2)C1=O ZINC000516381234 1007053100 /nfs/dbraw/zinc/05/31/00/1007053100.db2.gz CGEBUHWZOYNLGX-QGZVFWFLSA-N 0 2 421.280 3.764 20 0 HHADLN Cc1cc(Br)cc(S(=O)(=O)Nc2nnc(CCc3ccccc3)o2)c1 ZINC000516388587 1007056600 /nfs/dbraw/zinc/05/66/00/1007056600.db2.gz VYGSMRAPUHMYAY-UHFFFAOYSA-N 0 2 422.304 3.727 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)c(F)c1 ZINC000516613084 1007195197 /nfs/dbraw/zinc/19/51/97/1007195197.db2.gz XIHPVBSQVHISMY-UHFFFAOYSA-N 0 2 404.419 3.685 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000516657987 1007212479 /nfs/dbraw/zinc/21/24/79/1007212479.db2.gz NEVJUBGGHWSZOM-HUUCEWRRSA-N 0 2 404.923 3.846 20 0 HHADLN COc1ccc(-c2nc(C)c(C(=O)N=c3nc(-c4cccnc4)[nH]s3)s2)cc1 ZINC000535170768 1007213302 /nfs/dbraw/zinc/21/33/02/1007213302.db2.gz BGTWWRJMBCCYCH-UHFFFAOYSA-N 0 2 409.496 3.715 20 0 HHADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)[C@H]1C[C@@H]1c1ccc(Br)cc1 ZINC000535173199 1007216550 /nfs/dbraw/zinc/21/65/50/1007216550.db2.gz LWHCKBYRTXFIOD-KGLIPLIRSA-N 0 2 401.289 3.527 20 0 HHADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N[C@H]1CC12CCCCC2 ZINC000538946610 1007231238 /nfs/dbraw/zinc/23/12/38/1007231238.db2.gz CWIYGDAAAYDFNN-HNNXBMFYSA-N 0 2 406.533 3.788 20 0 HHADLN COC(=O)c1cc(S(=O)(=O)Nc2ncc(Cc3ccc(C)c(F)c3)s2)c(C)o1 ZINC000532856062 1007244643 /nfs/dbraw/zinc/24/46/43/1007244643.db2.gz BFWSVVPYKZHOFC-UHFFFAOYSA-N 0 2 424.475 3.670 20 0 HHADLN Cn1cc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c(-c2ccccc2)n1 ZINC000539106400 1007394457 /nfs/dbraw/zinc/39/44/57/1007394457.db2.gz WOPBHMLWLQWDAH-UHFFFAOYSA-N 0 2 411.405 3.829 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cccc(C[S@](=O)C3CCOCC3)c2)sc1C ZINC000539117810 1007405712 /nfs/dbraw/zinc/40/57/12/1007405712.db2.gz VDWWGWFGSNMIMW-VWLOTQADSA-N 0 2 413.586 3.593 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2c(Cl)cccc2Cl)nc1C1CC1 ZINC000535386747 1007452333 /nfs/dbraw/zinc/45/23/33/1007452333.db2.gz HMWDDRWRPZGBSG-UHFFFAOYSA-N 0 2 407.300 3.915 20 0 HHADLN CCC(=O)c1cccc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)c1 ZINC000533305056 1007622419 /nfs/dbraw/zinc/62/24/19/1007622419.db2.gz RSUVQHBGMNCNHV-UHFFFAOYSA-N 0 2 403.891 3.978 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cc(Br)cnc2-n2cccn2)c(C)s1 ZINC000517489953 1007713519 /nfs/dbraw/zinc/71/35/19/1007713519.db2.gz YLOPYEKYJDOMPH-UHFFFAOYSA-N 0 2 413.322 3.509 20 0 HHADLN O=S(=O)(Nc1ccccc1O)c1ccc(OC(F)(F)F)cc1Br ZINC000535684662 1007715420 /nfs/dbraw/zinc/71/54/20/1007715420.db2.gz BMTRHKRRJXAKKL-UHFFFAOYSA-N 0 2 412.183 3.854 20 0 HHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c1C1CC1 ZINC000535685631 1007717625 /nfs/dbraw/zinc/71/76/25/1007717625.db2.gz KEYPXVPDXFWSAV-ZIAGYGMSSA-N 0 2 416.547 3.830 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(-n2cccn2)cc1 ZINC000517569383 1007775485 /nfs/dbraw/zinc/77/54/85/1007775485.db2.gz KNWMOVFLQSRPMH-UHFFFAOYSA-N 0 2 413.480 3.674 20 0 HHADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccccc1N1CCCCCC1 ZINC000517615071 1007820771 /nfs/dbraw/zinc/82/07/71/1007820771.db2.gz NWHIUGYVVOAMKE-UHFFFAOYSA-N 0 2 406.479 3.794 20 0 HHADLN CCc1ccc2nc(NS(=O)(=O)c3ccc(C4(C(=O)OC)CC4)cc3)sc2c1 ZINC000539554926 1007867392 /nfs/dbraw/zinc/86/73/92/1007867392.db2.gz NHKMSYXBZFTFPR-UHFFFAOYSA-N 0 2 416.524 3.864 20 0 HHADLN CCN(CC)C(=O)CSCc1nc(=O)c2sc(-c3ccc(OC)cc3)cc2[nH]1 ZINC000533550464 1007869295 /nfs/dbraw/zinc/86/92/95/1007869295.db2.gz XHLUZQZXXFBGNB-UHFFFAOYSA-N 0 2 417.556 3.762 20 0 HHADLN C[C@H](CC(=O)N=c1nc(-c2cccnc2)[nH]s1)c1ccc(Br)cc1 ZINC000535935674 1007964367 /nfs/dbraw/zinc/96/43/67/1007964367.db2.gz ISNVKHIEERSGKQ-LLVKDONJSA-N 0 2 403.305 3.917 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccccc2Cl)ns1)c1cc(F)cc(Cl)c1 ZINC000533690834 1008014636 /nfs/dbraw/zinc/01/46/36/1008014636.db2.gz VQLGKFFLLXDOKX-UHFFFAOYSA-N 0 2 404.275 3.874 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N[C@@H](C)c3ccc([S@](C)=O)cc3)=N2)c1 ZINC000536010978 1008053048 /nfs/dbraw/zinc/05/30/48/1008053048.db2.gz DYLOVBHXWFFVQO-WNNBVUDTSA-N 0 2 411.527 3.930 20 0 HHADLN COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CCC[C@@H](c4n[nH]c(C)n4)C3)ccc2c1 ZINC000539764112 1008079229 /nfs/dbraw/zinc/07/92/29/1008079229.db2.gz BOQQXPWBZOUWDX-HRAATJIYSA-N 0 2 421.545 3.501 20 0 HHADLN O=C(CS(=O)(=O)CCCc1ccccc1)Nc1cc(Cl)cc(Cl)c1O ZINC000539931328 1008190365 /nfs/dbraw/zinc/19/03/65/1008190365.db2.gz JIZBOCRUKINVEZ-UHFFFAOYSA-N 0 2 402.299 3.685 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)nc1C1CC1 ZINC000533938423 1008219742 /nfs/dbraw/zinc/21/97/42/1008219742.db2.gz SBBIEXOISNDEBZ-UHFFFAOYSA-N 0 2 400.547 3.967 20 0 HHADLN CCn1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)cn1 ZINC000518311392 1008254620 /nfs/dbraw/zinc/25/46/20/1008254620.db2.gz RTDXCSJXJZZCCT-NRFANRHFSA-N 0 2 424.526 3.681 20 0 HHADLN CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000518368477 1008278423 /nfs/dbraw/zinc/27/84/23/1008278423.db2.gz OWOXLBFHMZKGNP-CQSZACIVSA-N 0 2 406.939 3.646 20 0 HHADLN C[S@@](=O)c1cccc(NC(=O)c2[nH]nc(-c3ccccc3)c2Br)c1 ZINC000518408050 1008292888 /nfs/dbraw/zinc/29/28/88/1008292888.db2.gz DPXFSZIZGJMCKA-XMMPIXPASA-N 0 2 404.289 3.829 20 0 HHADLN O=S(=O)(Nc1nc2cc(Cl)ccn2n1)c1ccc(Cl)c(Br)c1 ZINC000518451439 1008313082 /nfs/dbraw/zinc/31/30/82/1008313082.db2.gz IJTOKFBFALJLHZ-UHFFFAOYSA-N 0 2 422.091 3.599 20 0 HHADLN Cc1ccsc1CCNC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000540246293 1008351346 /nfs/dbraw/zinc/35/13/46/1008351346.db2.gz DFDZCUZYGJDFCB-UHFFFAOYSA-N 0 2 422.557 3.678 20 0 HHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)N[C@H]1c2ccccc2CC12CCOCC2 ZINC000518623299 1008369082 /nfs/dbraw/zinc/36/90/82/1008369082.db2.gz CLJFXLRKGJSNJA-INIZCTEOSA-N 0 2 412.540 3.904 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2ccccc2S(=O)(=O)C(C)C)c(Cl)cc1F ZINC000540332049 1008384219 /nfs/dbraw/zinc/38/42/19/1008384219.db2.gz WNLHTAXWZPAUJI-UHFFFAOYSA-N 0 2 405.900 3.770 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)c1 ZINC000540498004 1008456150 /nfs/dbraw/zinc/45/61/50/1008456150.db2.gz KZTYVAZVZWVWMX-UHFFFAOYSA-N 0 2 417.512 3.760 20 0 HHADLN COc1cc(Cl)ccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000519106014 1008538956 /nfs/dbraw/zinc/53/89/56/1008538956.db2.gz MCESUOUNLDQBFL-UHFFFAOYSA-N 0 2 423.903 3.858 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)c(C)c1F ZINC000543032273 1008615037 /nfs/dbraw/zinc/61/50/37/1008615037.db2.gz JRLAMCWBMPRKSV-LBPRGKRZSA-N 0 2 413.540 3.632 20 0 HHADLN COC(=O)c1c(C)cccc1NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000519231384 1008637997 /nfs/dbraw/zinc/63/79/97/1008637997.db2.gz YQZYRYKGXMPXLO-UHFFFAOYSA-N 0 2 404.271 3.898 20 0 HHADLN Cc1c(Cl)cc(S(=O)(=O)Nc2ccnn2Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000519288977 1008700354 /nfs/dbraw/zinc/70/03/54/1008700354.db2.gz NCURDOWYBYSAQP-UHFFFAOYSA-N 0 2 424.841 3.741 20 0 HHADLN O=S(=O)(Nc1nc(-c2ccncc2)ns1)c1ccc2oc3ccccc3c2c1 ZINC000543145260 1008718315 /nfs/dbraw/zinc/71/83/15/1008718315.db2.gz WBESMRLEIHEOCS-UHFFFAOYSA-N 0 2 408.464 3.722 20 0 HHADLN COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1C ZINC000543163687 1008738251 /nfs/dbraw/zinc/73/82/51/1008738251.db2.gz NGHRRJPINLDSDM-UHFFFAOYSA-N 0 2 413.455 3.510 20 0 HHADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccccc2-n2nccc2C)cc1Cl ZINC000543165207 1008740921 /nfs/dbraw/zinc/74/09/21/1008740921.db2.gz VMXXGLIREJOXRC-UHFFFAOYSA-N 0 2 422.869 3.732 20 0 HHADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1cccc(CC(=O)OC(C)(C)C)c1 ZINC000543165813 1008741367 /nfs/dbraw/zinc/74/13/67/1008741367.db2.gz JJVYVPOOTSSVRI-UHFFFAOYSA-N 0 2 421.563 3.841 20 0 HHADLN CCCc1c(NS(=O)(=O)c2cccc(C(C)=O)c2)cnn1-c1cccc(F)c1 ZINC000543166332 1008742469 /nfs/dbraw/zinc/74/24/69/1008742469.db2.gz OMSFVPOYSKAEJR-UHFFFAOYSA-N 0 2 401.463 3.967 20 0 HHADLN CC(=O)N[C@@H](CC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1ccc(C)cc1 ZINC000519390493 1008782414 /nfs/dbraw/zinc/78/24/14/1008782414.db2.gz ZMOBSMOUXVNIQZ-KRWDZBQOSA-N 0 2 414.918 3.795 20 0 HHADLN CCc1cnccc1-c1noc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)n1 ZINC000545737336 1008825342 /nfs/dbraw/zinc/82/53/42/1008825342.db2.gz FCFOREATYQYPTA-UHFFFAOYSA-N 0 2 413.484 3.618 20 0 HHADLN COCCOc1ccccc1S(=O)(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000545829012 1008913115 /nfs/dbraw/zinc/91/31/15/1008913115.db2.gz HNOBFVJPXXZQNL-UHFFFAOYSA-N 0 2 423.384 3.593 20 0 HHADLN COC(=O)c1cc(C)ccc1S(=O)(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000545828449 1008913727 /nfs/dbraw/zinc/91/37/27/1008913727.db2.gz WSYUXNRUPHBWPR-UHFFFAOYSA-N 0 2 405.806 3.837 20 0 HHADLN CCCc1ccc(-c2cc(NC(=O)c3cc(F)c(O)c(F)c3)n(CCO)n2)cc1 ZINC000545863816 1008950816 /nfs/dbraw/zinc/95/08/16/1008950816.db2.gz KHNWQGWTLQWQHR-UHFFFAOYSA-N 0 2 401.413 3.731 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000549497745 1009099950 /nfs/dbraw/zinc/09/99/50/1009099950.db2.gz YTHPTRBJRXKKMN-HNNXBMFYSA-N 0 2 423.439 3.648 20 0 HHADLN C[C@H](C1CC1)n1nccc1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000546088527 1009114006 /nfs/dbraw/zinc/11/40/06/1009114006.db2.gz QKTMCPUHEDMDDA-MRVPVSSYSA-N 0 2 406.252 3.696 20 0 HHADLN C[C@H](C(F)(F)F)S(=O)(=O)NCC1(c2ccc(Br)cc2)CCC1 ZINC000546093404 1009119284 /nfs/dbraw/zinc/11/92/84/1009119284.db2.gz ZTJYTNWQARKHKU-SNVBAGLBSA-N 0 2 400.260 3.741 20 0 HHADLN C[C@@H](C(F)(F)F)S(=O)(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000546094503 1009120266 /nfs/dbraw/zinc/12/02/66/1009120266.db2.gz KFJXKRUHASWYQN-JTQLQIEISA-N 0 2 420.280 3.912 20 0 HHADLN COc1cc(-c2noc(-c3cccc(Br)c3O)n2)cc(OC)c1OC ZINC000543635704 1009239781 /nfs/dbraw/zinc/23/97/81/1009239781.db2.gz PXHFVHPZXOACAN-UHFFFAOYSA-N 0 2 407.220 3.898 20 0 HHADLN O=C1Cc2cc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3O)c(Cl)cc2N1 ZINC000543654732 1009260704 /nfs/dbraw/zinc/26/07/04/1009260704.db2.gz ZCLYEOCFOXKMIT-UHFFFAOYSA-N 0 2 407.662 3.648 20 0 HHADLN COCCOc1cccc(NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)c1 ZINC000543656284 1009262896 /nfs/dbraw/zinc/26/28/96/1009262896.db2.gz HNBJTJLKVDYESD-UHFFFAOYSA-N 0 2 404.879 3.950 20 0 HHADLN COCCOc1cccc(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)c1 ZINC000543658087 1009265723 /nfs/dbraw/zinc/26/57/23/1009265723.db2.gz VJIYGCKYGKEGAV-UHFFFAOYSA-N 0 2 418.906 3.627 20 0 HHADLN Cc1ccc(CN(CCO)C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)cc1 ZINC000543658155 1009266904 /nfs/dbraw/zinc/26/69/04/1009266904.db2.gz UMFJJLPZNNVGOR-UHFFFAOYSA-N 0 2 402.907 3.615 20 0 HHADLN O=C1C[C@@H](c2noc(-c3cccc(Br)c3O)n2)CN1Cc1ccccc1 ZINC000546547425 1009569051 /nfs/dbraw/zinc/56/90/51/1009569051.db2.gz GJRJVHCCIIAEHG-CYBMUJFWSA-N 0 2 414.259 3.721 20 0 HHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)c1cnn(CCC(F)(F)F)c1 ZINC000544049356 1009652138 /nfs/dbraw/zinc/65/21/38/1009652138.db2.gz GFVGJTWMSBOFKX-UHFFFAOYSA-N 0 2 401.801 3.682 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)CSc1cccc(Br)c1 ZINC000550121507 1009713297 /nfs/dbraw/zinc/71/32/97/1009713297.db2.gz DQGOISJAAZAHJB-UHFFFAOYSA-N 0 2 419.304 3.979 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1cccc(OCc2cccnc2)c1 ZINC000550121777 1009713480 /nfs/dbraw/zinc/71/34/80/1009713480.db2.gz DZIZJWJOTAIRED-UHFFFAOYSA-N 0 2 401.426 3.712 20 0 HHADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1cc(Br)cn1C(C)C ZINC000550122860 1009714720 /nfs/dbraw/zinc/71/47/20/1009714720.db2.gz PDUFTLWDWPEPPI-UHFFFAOYSA-N 0 2 404.268 3.883 20 0 HHADLN COc1ccc(-c2n[nH]c(NC(=O)c3nc(C)oc3-c3ccccc3)n2)c(OC)c1 ZINC000546770906 1009737789 /nfs/dbraw/zinc/73/77/89/1009737789.db2.gz CHLZWNICODULHU-UHFFFAOYSA-N 0 2 405.414 3.705 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc3oc4ccccc4c3c2)nc1C ZINC000550418653 1009921228 /nfs/dbraw/zinc/92/12/28/1009921228.db2.gz BKHWBWYGNSQJBX-UHFFFAOYSA-N 0 2 402.453 3.938 20 0 HHADLN Cc1nc(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)nn1-c1ccc(F)cc1 ZINC000521084045 1010099778 /nfs/dbraw/zinc/09/97/78/1010099778.db2.gz LZZGBGUAXOTEPH-UHFFFAOYSA-N 0 2 414.853 3.561 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N3CCC[C@@H](Nc4ccccc4)C3)s[nH]2)c1 ZINC000544590246 1010216592 /nfs/dbraw/zinc/21/65/92/1010216592.db2.gz HXBURUPGKCIBKK-QGZVFWFLSA-N 0 2 409.515 3.744 20 0 HHADLN COc1ccc(CN(C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)C2CC2)cc1 ZINC000544591866 1010217958 /nfs/dbraw/zinc/21/79/58/1010217958.db2.gz GQIIITXTDCLHKI-UHFFFAOYSA-N 0 2 410.499 3.841 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N[C@@H](c3ccccc3)[C@@H]3CCCO3)s[nH]2)c1 ZINC000544596326 1010222670 /nfs/dbraw/zinc/22/26/70/1010222670.db2.gz VKBWIBWJICOUKZ-ROUUACIJSA-N 0 2 410.499 3.677 20 0 HHADLN O=S(=O)(Nc1nc(C2CC2)cs1)c1cc(Br)cc2c1OCC2 ZINC000544622293 1010246353 /nfs/dbraw/zinc/24/63/53/1010246353.db2.gz XOLUBJHFYVQSHP-UHFFFAOYSA-N 0 2 401.307 3.519 20 0 HHADLN CC[C@@H]1CN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)[C@@H](CC)CN1C(C)=O ZINC000544635613 1010259416 /nfs/dbraw/zinc/25/94/16/1010259416.db2.gz NRKMCVPJDWUIRC-CVEARBPZSA-N 0 2 421.954 3.534 20 0 HHADLN CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000544638245 1010262536 /nfs/dbraw/zinc/26/25/36/1010262536.db2.gz YVWCGFJZZUNMOX-ZDUSSCGKSA-N 0 2 408.911 3.618 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCC[C@@H](OCC(F)(F)F)C1 ZINC000544638995 1010263705 /nfs/dbraw/zinc/26/37/05/1010263705.db2.gz XHTBTVPJFOKMOP-SNVBAGLBSA-N 0 2 420.844 3.856 20 0 HHADLN COCc1cccc(S(=O)(=O)Nc2nc(C3CCCC3)c(C(=O)OC)s2)c1 ZINC000544664339 1010283227 /nfs/dbraw/zinc/28/32/27/1010283227.db2.gz KQEKDANBDABAHY-UHFFFAOYSA-N 0 2 410.517 3.535 20 0 HHADLN O=C(N=c1nc(Sc2ccccc2)[n-]s1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000521318823 1010301592 /nfs/dbraw/zinc/30/15/92/1010301592.db2.gz QVHZHOHLPYPSRL-UHFFFAOYSA-N 0 2 422.539 3.678 20 0 HHADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(F)c(NC(C)=O)c1 ZINC000521341285 1010316684 /nfs/dbraw/zinc/31/66/84/1010316684.db2.gz RKGIODSKSXOROR-UHFFFAOYSA-N 0 2 422.459 3.586 20 0 HHADLN Cc1c(S(=O)(=O)Nc2nnc(-c3cc(F)ccc3C)o2)c2ccccc2n1C ZINC000551015555 1010317825 /nfs/dbraw/zinc/31/78/25/1010317825.db2.gz SAMMHSCFPHRIIJ-UHFFFAOYSA-N 0 2 400.435 3.785 20 0 HHADLN O=S(=O)(Nc1nccc(-c2cncc(F)c2)n1)c1ccc(Cl)c(F)c1Cl ZINC000551019771 1010321124 /nfs/dbraw/zinc/32/11/24/1010321124.db2.gz CBBPIIADYDEKNJ-UHFFFAOYSA-N 0 2 417.224 3.924 20 0 HHADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1C(F)(F)F ZINC000551027818 1010325420 /nfs/dbraw/zinc/32/54/20/1010325420.db2.gz XWONKVCUUJLGGI-UHFFFAOYSA-N 0 2 420.434 3.628 20 0 HHADLN O=S(=O)(Nc1noc(-c2cccs2)n1)c1cc(C(F)(F)F)ccc1Cl ZINC000547495691 1010328043 /nfs/dbraw/zinc/32/80/43/1010328043.db2.gz PFMDGQINYFBLJY-UHFFFAOYSA-N 0 2 409.798 4.271 20 0 HHADLN CC(C)[C@H](NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1)c1nc2ccccc2[nH]1 ZINC000547537089 1010343968 /nfs/dbraw/zinc/34/39/68/1010343968.db2.gz RZTSOCVJBMWAFO-INIZCTEOSA-N 0 2 410.503 3.812 20 0 HHADLN COc1ccc(C[C@@H](NS(=O)(=O)[C@H](C)C(F)(F)F)c2ccc(OC)cc2)cc1 ZINC000544747229 1010351388 /nfs/dbraw/zinc/35/13/88/1010351388.db2.gz AQVOAXALUSUUEU-FZKQIMNGSA-N 0 2 417.449 3.858 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2c(Cl)cccc2C(=O)OC)cc1Cl ZINC000551107666 1010373184 /nfs/dbraw/zinc/37/31/84/1010373184.db2.gz XQWPLYFMPIZYJU-UHFFFAOYSA-N 0 2 404.271 3.980 20 0 HHADLN O=S(=O)(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cc(Cl)ccc1F ZINC000551107502 1010373425 /nfs/dbraw/zinc/37/34/25/1010373425.db2.gz SXDIBINQBBXGPS-UHFFFAOYSA-N 0 2 406.870 3.875 20 0 HHADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(Cl)ccc2C)c1OC ZINC000551109118 1010375085 /nfs/dbraw/zinc/37/50/85/1010375085.db2.gz YMUSUKXQABGEQO-UHFFFAOYSA-N 0 2 404.271 3.898 20 0 HHADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CC[C@@H](OCc4ccncc4)C3)=N2)c1 ZINC000551192946 1010430106 /nfs/dbraw/zinc/43/01/06/1010430106.db2.gz KMGLQVLCFSTFBJ-HXUWFJFHSA-N 0 2 406.486 3.528 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2NC(=O)C[C@H]2C=CCC2)c1 ZINC000521678153 1010544136 /nfs/dbraw/zinc/54/41/36/1010544136.db2.gz TZNBAVVLFNQVAX-HNNXBMFYSA-N 0 2 416.499 3.799 20 0 HHADLN O=S(=O)(Nc1ccc(Cl)c(CN2CCOCC2)c1)c1cc(Cl)ccc1F ZINC000551385145 1010553072 /nfs/dbraw/zinc/55/30/72/1010553072.db2.gz GVEUEGGHVUPDLN-UHFFFAOYSA-N 0 2 419.305 3.766 20 0 HHADLN COc1c(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc(Cl)cc1C(N)=O ZINC000551473365 1010608579 /nfs/dbraw/zinc/60/85/79/1010608579.db2.gz LOOUKKSXYIYYGA-UHFFFAOYSA-N 0 2 409.678 3.555 20 0 HHADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NCc1c(Cl)cccc1Cl ZINC000548429470 1010623471 /nfs/dbraw/zinc/62/34/71/1010623471.db2.gz IZBKPKOIFGJCLA-UHFFFAOYSA-N 0 2 406.273 3.690 20 0 HHADLN O=S(=O)(Nc1ccccc1NC1CCCCC1)c1cnn(CC(F)(F)F)c1 ZINC000548477715 1010639579 /nfs/dbraw/zinc/63/95/79/1010639579.db2.gz ZJMDTYHPXCPHDA-UHFFFAOYSA-N 0 2 402.442 3.991 20 0 HHADLN C[C@H](C(F)(F)F)S(=O)(=O)[N-]C1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000545367921 1010755186 /nfs/dbraw/zinc/75/51/86/1010755186.db2.gz QXWOVRQJJBYYDU-SNVBAGLBSA-N 0 2 419.296 3.828 20 0 HHADLN C[C@H](C(F)(F)F)S(=O)(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000545367921 1010755193 /nfs/dbraw/zinc/75/51/93/1010755193.db2.gz QXWOVRQJJBYYDU-SNVBAGLBSA-N 0 2 419.296 3.828 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)NCCc2cc(Br)ccc2F)s[nH]1 ZINC000522623995 1011120745 /nfs/dbraw/zinc/12/07/45/1011120745.db2.gz UNYKLQVQJVHPKE-UHFFFAOYSA-N 0 2 401.305 3.523 20 0 HHADLN CCc1nc(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)nn1-c1ccccc1 ZINC000522747564 1011192410 /nfs/dbraw/zinc/19/24/10/1011192410.db2.gz MGWNESOEQPPUHA-UHFFFAOYSA-N 0 2 410.890 3.676 20 0 HHADLN OC(Nc1nc(-c2ccccc2)ns1)=C1COc2ccc(Br)cc21 ZINC000536244868 1011399386 /nfs/dbraw/zinc/39/93/86/1011399386.db2.gz SBEIAONWYWUAID-CYBMUJFWSA-N 0 2 402.273 3.504 20 0 HHADLN OC(=Cc1cn2cc(Cl)cc(Cl)c2n1)Nc1nc(-c2ccccc2)ns1 ZINC000522969677 1011418269 /nfs/dbraw/zinc/41/82/69/1011418269.db2.gz HFAAVZJYOSDMAW-UHFFFAOYSA-N 0 2 404.282 3.763 20 0 HHADLN CC(C)Cc1ccc([C@H](NC(=O)C(=O)N=c2nc(C(C)(C)C)[nH]s2)C2CC2)cc1 ZINC000523003206 1011458339 /nfs/dbraw/zinc/45/83/39/1011458339.db2.gz LXOVMNHNBDWLAY-KRWDZBQOSA-N 0 2 414.575 3.662 20 0 HHADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)nc(C1CC1)n2C ZINC000536303162 1011493577 /nfs/dbraw/zinc/49/35/77/1011493577.db2.gz ZEYUCFWBJBETDO-UHFFFAOYSA-N 0 2 419.890 3.692 20 0 HHADLN O=C(NC/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000540885451 1011560729 /nfs/dbraw/zinc/56/07/29/1011560729.db2.gz BIYHRATTYFOYLF-VMPITWQZSA-N 0 2 414.512 3.779 20 0 HHADLN COc1ccc(OC)c(S(=O)(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)c1 ZINC000541125638 1011782574 /nfs/dbraw/zinc/78/25/74/1011782574.db2.gz BMFMZEUCIBQPBB-UHFFFAOYSA-N 0 2 401.431 3.960 20 0 HHADLN CCOc1ccc(NS(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)cc1 ZINC000536699202 1011867511 /nfs/dbraw/zinc/86/75/11/1011867511.db2.gz WWIOQPAWBOQAKJ-UHFFFAOYSA-N 0 2 410.561 3.652 20 0 HHADLN O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1ccc(OCC(F)F)cc1 ZINC000541287990 1011985228 /nfs/dbraw/zinc/98/52/28/1011985228.db2.gz GMBILWYOIOPOMB-UHFFFAOYSA-N 0 2 403.457 3.711 20 0 HHADLN COC(=O)c1csc(S(=O)(=O)[N-]c2cccc3c2C[N@H+](CCC(C)C)C3)c1 ZINC000541288994 1011986190 /nfs/dbraw/zinc/98/61/90/1011986190.db2.gz XCCGYJQDAAUCRC-UHFFFAOYSA-N 0 2 408.545 3.697 20 0 HHADLN COC(=O)c1csc(S(=O)(=O)[N-]c2cccc3c2C[N@@H+](CCC(C)C)C3)c1 ZINC000541288994 1011986208 /nfs/dbraw/zinc/98/62/08/1011986208.db2.gz XCCGYJQDAAUCRC-UHFFFAOYSA-N 0 2 408.545 3.697 20 0 HHADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cc(F)c(OC(C)C)c(F)c2)cn1 ZINC000541306777 1012012284 /nfs/dbraw/zinc/01/22/84/1012012284.db2.gz QIZIQSHDMAHUGD-UHFFFAOYSA-N 0 2 423.441 3.747 20 0 HHADLN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncc(-c3ccccn3)s2)cc1 ZINC000551952261 1012032217 /nfs/dbraw/zinc/03/22/17/1012032217.db2.gz NOLUCAQVBAXIIE-UHFFFAOYSA-N 0 2 416.528 3.991 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(OC(C)C)cc2)nc1C(C)(C)C ZINC000536895044 1012148838 /nfs/dbraw/zinc/14/88/38/1012148838.db2.gz ZIJJAJAOHJMXHK-UHFFFAOYSA-N 0 2 412.533 3.815 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC(c3noc(C(C)C)n3)CC2)=N1 ZINC000552227614 1012239405 /nfs/dbraw/zinc/23/94/05/1012239405.db2.gz KEBAAAVXDALYCG-UHFFFAOYSA-N 0 2 409.490 3.667 20 0 HHADLN Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)Nc2ccc(N(C)C)cn2)cc1 ZINC000523681542 1012281653 /nfs/dbraw/zinc/28/16/53/1012281653.db2.gz UNASIYDGNMHQBO-UHFFFAOYSA-N 0 2 416.528 3.571 20 0 HHADLN O=C(CCCOc1ccccc1Br)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552281495 1012294121 /nfs/dbraw/zinc/29/41/21/1012294121.db2.gz ZBGFDFZAJMQXAA-UHFFFAOYSA-N 0 2 417.263 3.738 20 0 HHADLN COCCCn1ccc(NS(=O)(=O)c2ccc(OCC3CCCCC3)cc2)n1 ZINC000523837700 1012527618 /nfs/dbraw/zinc/52/76/18/1012527618.db2.gz NAXBDRFVYWDQHR-UHFFFAOYSA-N 0 2 407.536 3.680 20 0 HHADLN Cc1c(C[S@@](C)=O)cccc1NS(=O)(=O)c1cc(Br)ccc1F ZINC000523893393 1012599021 /nfs/dbraw/zinc/59/90/21/1012599021.db2.gz JUMHSBLFLAKTKW-JOCHJYFZSA-N 0 2 420.325 3.576 20 0 HHADLN COc1ccc(O)c(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)c1 ZINC000537196966 1012613701 /nfs/dbraw/zinc/61/37/01/1012613701.db2.gz BODACBUDWYQCBP-UHFFFAOYSA-N 0 2 412.467 3.762 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)N(C)Cc3nc(-c4ccccc4)c[nH]3)s[nH]2)c1 ZINC000541759405 1012620611 /nfs/dbraw/zinc/62/06/11/1012620611.db2.gz OJLJNXGTQFHODS-UHFFFAOYSA-N 0 2 420.498 3.690 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)NCCc3nc4ccccc4s3)s[nH]2)c1 ZINC000541759741 1012621653 /nfs/dbraw/zinc/62/16/53/1012621653.db2.gz XNLHTKJZZRRJBF-UHFFFAOYSA-N 0 2 411.512 3.610 20 0 HHADLN C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)C[C@@H]1C ZINC000541776086 1012644225 /nfs/dbraw/zinc/64/42/25/1012644225.db2.gz DWBGKWWBTCSIAC-VNHYZAJKSA-N 0 2 408.549 3.890 20 0 HHADLN COc1ccc(S(=O)(=O)Nc2cncnc2-c2ccccc2)cc1Br ZINC000541780911 1012650270 /nfs/dbraw/zinc/65/02/70/1012650270.db2.gz UIWIIHPLCXISGD-UHFFFAOYSA-N 0 2 420.288 3.716 20 0 HHADLN O=S(=O)(Nc1cncnc1-c1ccccc1)c1cc(Br)ccc1F ZINC000541783582 1012654071 /nfs/dbraw/zinc/65/40/71/1012654071.db2.gz IQVVFXAKBNXROD-UHFFFAOYSA-N 0 2 408.252 3.846 20 0 HHADLN COc1cccc(Oc2ccc(CNC(=O)N=c3nc(C(C)(C)C)[nH]s3)cn2)c1 ZINC000523929533 1012658050 /nfs/dbraw/zinc/65/80/50/1012658050.db2.gz ZNAMVDIFSMGFFZ-UHFFFAOYSA-N 0 2 413.503 3.775 20 0 HHADLN CC(C)(C)OC(=O)C1CCN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)CC1 ZINC000541797713 1012673729 /nfs/dbraw/zinc/67/37/29/1012673729.db2.gz YTFFRUVDLBPQBP-UHFFFAOYSA-N 0 2 422.938 3.866 20 0 HHADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)NCc1nc(-c2ccccc2)c[nH]1 ZINC000541799539 1012676761 /nfs/dbraw/zinc/67/67/61/1012676761.db2.gz PKTOLPQPPJUCNW-UHFFFAOYSA-N 0 2 410.890 3.992 20 0 HHADLN CN(Cc1ccc([S@](C)=O)cc1)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000541800496 1012678174 /nfs/dbraw/zinc/67/81/74/1012678174.db2.gz NRVPSLQJUPTUIT-MHZLTWQESA-N 0 2 420.947 3.682 20 0 HHADLN COC(=O)c1sc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)nc1C1CCCC1 ZINC000541825377 1012712201 /nfs/dbraw/zinc/71/22/01/1012712201.db2.gz VGAABAAUKHIJJN-NSHDSACASA-N 0 2 422.528 3.712 20 0 HHADLN CCc1n[nH]c(NS(=O)(=O)c2ccc(F)cc2C)c1-c1ccc2c(c1)OCO2 ZINC000541826418 1012713548 /nfs/dbraw/zinc/71/35/48/1012713548.db2.gz WPUYMMBJVGENLX-UHFFFAOYSA-N 0 2 403.435 3.616 20 0 HHADLN O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000552829846 1012840734 /nfs/dbraw/zinc/84/07/34/1012840734.db2.gz TXHTWIVBGGZNDO-XOBRGWDASA-N 0 2 415.852 3.878 20 0 HHADLN COc1cccc(-c2nc(=NC(=O)c3cc(C)n(-c4ccc(F)cc4)n3)s[nH]2)c1 ZINC000537413433 1012895941 /nfs/dbraw/zinc/89/59/41/1012895941.db2.gz LNFPGIPONKYZDN-UHFFFAOYSA-N 0 2 409.446 3.521 20 0 HHADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000552999350 1012974387 /nfs/dbraw/zinc/97/43/87/1012974387.db2.gz AENJVJHVLYHTOV-SJORKVTESA-N 0 2 417.487 3.825 20 0 HHADLN CCc1ccccc1N1CC(=O)C(C(=O)N2CCC(Oc3cc(C)ccn3)CC2)=N1 ZINC000542101098 1013033756 /nfs/dbraw/zinc/03/37/56/1013033756.db2.gz MDKWBFJFDQAOLP-UHFFFAOYSA-N 0 2 406.486 3.527 20 0 HHADLN CCC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2cc(OC)c(OC)cc2F)cc1 ZINC000614855961 1071778141 /nfs/dbraw/zinc/77/81/41/1071778141.db2.gz NHJSCWPNMVTVOL-UHFFFAOYSA-N 0 2 424.494 3.562 20 0 HHADLN CC(C)(C)c1csc(C2CCN(C(=O)C(C)(C)NC(=O)C(F)(F)F)CC2)n1 ZINC000760322776 1072247669 /nfs/dbraw/zinc/24/76/69/1072247669.db2.gz OAVIOELTFKZGKE-UHFFFAOYSA-N 0 2 405.486 3.604 20 0 HHADLN Cc1cc(S(=O)(=O)Nc2cc(N3CC[NH+]=C3[O-])ccc2Cl)c(Cl)cc1F ZINC000760357090 1072274877 /nfs/dbraw/zinc/27/48/77/1072274877.db2.gz QGXUKKNQTPPLGW-UHFFFAOYSA-N 0 2 418.277 3.771 20 0 HHADLN Cc1ccc(NC(=O)C[C@@H]2SC(n3nccc3C(F)(F)F)=NC2=O)cc1Cl ZINC000913098410 1072328672 /nfs/dbraw/zinc/32/86/72/1072328672.db2.gz BDQZQNWPIKNOBG-NSHDSACASA-N 0 2 416.812 3.739 20 0 HHADLN O=C(C[C@@H]1SC(n2nccc2C(F)(F)F)=NC1=O)Nc1ccc(F)c(Cl)c1 ZINC000913100011 1072329195 /nfs/dbraw/zinc/32/91/95/1072329195.db2.gz ZGCVJKZFWCCCQS-JTQLQIEISA-N 0 2 420.775 3.569 20 0 HHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1nccn2c(Br)cnc12 ZINC000760427711 1072338939 /nfs/dbraw/zinc/33/89/39/1072338939.db2.gz VFNJFCOFBSDKPA-UHFFFAOYSA-N 0 2 402.035 3.757 20 0 HHADLN CC(C)[C@H]1CCCN1c1ccc(NC(=O)C(C)(C)NC(=O)C(F)(F)F)cc1F ZINC000760490940 1072395366 /nfs/dbraw/zinc/39/53/66/1072395366.db2.gz RLMTWZPFKKMSNN-CQSZACIVSA-N 0 2 403.420 3.846 20 0 HHADLN COc1cccc(OC)c1S(=O)(=O)Nc1nnc(-c2ccc(C)cc2C)s1 ZINC000479131559 1072742510 /nfs/dbraw/zinc/74/25/10/1072742510.db2.gz MRBPSWCBEZFRDX-UHFFFAOYSA-N 0 2 405.501 3.640 20 0 HHADLN COc1cc(OC)cc(S(=O)(=O)Nc2c(C)c(C)nn2-c2ccc(Cl)cc2)c1 ZINC000479134759 1072746811 /nfs/dbraw/zinc/74/68/11/1072746811.db2.gz ZRXIBWWRRNZVEX-UHFFFAOYSA-N 0 2 421.906 3.961 20 0 HHADLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2sc(C)cc2Br)n1 ZINC000479123304 1072759512 /nfs/dbraw/zinc/75/95/12/1072759512.db2.gz HPDMYOWUXLWNEQ-UHFFFAOYSA-N 0 2 402.339 3.850 20 0 HHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1csc(-c2ccc3c(c2)OCO3)n1 ZINC000588029207 1072764894 /nfs/dbraw/zinc/76/48/94/1072764894.db2.gz RHEDFKRZLNMHOG-UHFFFAOYSA-N 0 2 408.464 3.732 20 0 HHADLN O=C(Nc1ccccc1NS(=O)(=O)c1cccc2c1OCCO2)c1cccs1 ZINC000588077897 1072783711 /nfs/dbraw/zinc/78/37/11/1072783711.db2.gz KSJQQOXAMSHJMR-UHFFFAOYSA-N 0 2 416.480 3.572 20 0 HHADLN Brc1cccc(-c2n[nH]c(-c3noc(-c4cccc5n[nH]cc54)n3)n2)c1 ZINC000571899797 1072869509 /nfs/dbraw/zinc/86/95/09/1072869509.db2.gz NEYSPKCASJFFJN-UHFFFAOYSA-N 0 2 408.219 3.828 20 0 HHADLN CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000588625067 1073063889 /nfs/dbraw/zinc/06/38/89/1073063889.db2.gz NALQEEYDUZMHIB-UHFFFAOYSA-N 0 2 417.270 3.524 20 0 HHADLN O=S(=O)(Nc1ccccc1OC(F)(F)F)c1cc2c(cc1Cl)OCCO2 ZINC000588625832 1073065183 /nfs/dbraw/zinc/06/51/83/1073065183.db2.gz RYHHHBLPLOWUNI-UHFFFAOYSA-N 0 2 409.769 3.811 20 0 HHADLN O=S(=O)(Nc1nnc(Cc2ccc(Cl)cc2)o1)c1ccc(Cl)cc1F ZINC000572450367 1073291407 /nfs/dbraw/zinc/29/14/07/1073291407.db2.gz NUGXQWAQKXPADY-UHFFFAOYSA-N 0 2 402.234 3.907 20 0 HHADLN CCOC(=O)C(C)(C)c1csc(NS(=O)(=O)c2ccc(F)c(Cl)c2)n1 ZINC000588948941 1073355572 /nfs/dbraw/zinc/35/55/72/1073355572.db2.gz LWOAJZYYTWXRSG-UHFFFAOYSA-N 0 2 406.888 3.577 20 0 HHADLN CC(C)(C)c1nc(=NC(=O)c2nc(-c3cccs3)n(-c3ccccc3)n2)s[nH]1 ZINC000589937657 1073422472 /nfs/dbraw/zinc/42/24/72/1073422472.db2.gz YXRBVKCKDQSNRK-UHFFFAOYSA-N 0 2 410.528 3.819 20 0 HHADLN CNC(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2Oc2ccccc2)cc1 ZINC000589939181 1073423630 /nfs/dbraw/zinc/42/36/30/1073423630.db2.gz YTKUGAXMHHSGAJ-UHFFFAOYSA-N 0 2 400.431 3.778 20 0 HHADLN O=C(c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000555557355 1073624564 /nfs/dbraw/zinc/62/45/64/1073624564.db2.gz VFKQFXNMRSNIKA-JTQLQIEISA-N 0 2 424.313 3.960 20 0 HHADLN CN1c2ccc(S(=O)(=O)Nc3nnc(C4CCCCC4)o3)c3cccc(c23)C1=O ZINC000556036753 1074049117 /nfs/dbraw/zinc/04/91/17/1074049117.db2.gz DVELBDVZYGMBDU-UHFFFAOYSA-N 0 2 412.471 3.661 20 0 HHADLN COc1ccc(Br)cc1S(=O)(=O)Nc1nnc(-c2ccccc2C)o1 ZINC000556039684 1074059530 /nfs/dbraw/zinc/05/95/30/1074059530.db2.gz SATIPJGDHSNVPP-UHFFFAOYSA-N 0 2 424.276 3.617 20 0 HHADLN Cc1ccc2[nH+]c(CSCC(=O)N3CCC(c4ccccc4C(=O)[O-])CC3)cn2c1 ZINC000615167005 1074081436 /nfs/dbraw/zinc/08/14/36/1074081436.db2.gz OQFUCNIWWDTLRI-UHFFFAOYSA-N 0 2 423.538 3.980 20 0 HHADLN Cc1ccc(S(=O)(=O)Nc2ccccc2-n2cc(Br)cn2)c(F)c1 ZINC000591680445 1074485151 /nfs/dbraw/zinc/48/51/51/1074485151.db2.gz QQYWMYQISBEGBL-UHFFFAOYSA-N 0 2 410.268 3.883 20 0 HHADLN Cc1n[nH]cc1S(=O)(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000592429641 1074757457 /nfs/dbraw/zinc/75/74/57/1074757457.db2.gz GCOPJDOOUCGMFD-UHFFFAOYSA-N 0 2 424.404 3.790 20 0 HHADLN Cn1c2ccccc2c2cc(S(=O)(=O)Nc3cnccc3-n3cccn3)ccc21 ZINC000592973804 1075142050 /nfs/dbraw/zinc/14/20/50/1075142050.db2.gz HSWNROUGCGXJKH-UHFFFAOYSA-N 0 2 403.467 3.713 20 0 HHADLN CCOC(=O)C(C)(C)c1csc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000574074293 1075160131 /nfs/dbraw/zinc/16/01/31/1075160131.db2.gz ICZINSLPNVPQQJ-UHFFFAOYSA-N 0 2 422.450 3.803 20 0 HHADLN CCOC(=O)c1sc([C@H]2CCN(C(=O)c3cc(F)cc(Cl)c3O)C2)nc1C ZINC001649010309 1075400234 /nfs/dbraw/zinc/40/02/34/1075400234.db2.gz NELQSDRLHVEJFV-JTQLQIEISA-N 0 2 412.870 3.756 20 0 HHADLN COCCc1ccc(OCCCC(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1 ZINC000596896788 1075594213 /nfs/dbraw/zinc/59/42/13/1075594213.db2.gz HDLDYTABWMESAM-UHFFFAOYSA-N 0 2 403.529 3.675 20 0 HHADLN O=C(COc1ccc(Br)cc1F)N=c1nc(-c2ccsc2)[nH]s1 ZINC000596904970 1075598220 /nfs/dbraw/zinc/59/82/20/1075598220.db2.gz NHFAAHWNPYTHSK-UHFFFAOYSA-N 0 2 414.281 3.608 20 0 HHADLN