smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cccc(CNc2[nH+]c3ccccc3n2C2CC2)c1 ZINC001595244778 949504439 /nfs/dbraw/zinc/50/44/39/949504439.db2.gz NBITYHIMYUQJKF-UHFFFAOYSA-N 0 2 307.353 3.682 20 0 DHADLN C[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1nc(C2CCCCC2)cs1 ZINC001573646090 959641592 /nfs/dbraw/zinc/64/15/92/959641592.db2.gz OWDSPFNJZCQXLV-MRXNPFEDSA-N 0 2 308.447 3.630 20 0 DHADLN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1nc(C2CCCCC2)cs1 ZINC001573646090 959641599 /nfs/dbraw/zinc/64/15/99/959641599.db2.gz OWDSPFNJZCQXLV-MRXNPFEDSA-N 0 2 308.447 3.630 20 0 DHADLN Cc1[nH+]cn(-c2ccc(NC3CCC(C(=O)[O-])CC3)cc2)c1C ZINC000263426521 962600368 /nfs/dbraw/zinc/60/03/68/962600368.db2.gz QSLXFPHBAPLEJU-UHFFFAOYSA-N 0 2 313.401 3.544 20 0 DHADLN CC(C)CCn1cccc1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1 ZINC000121298164 1013523645 /nfs/dbraw/zinc/52/36/45/1013523645.db2.gz LTUDXKKNZLOLJN-MRXNPFEDSA-N 0 2 300.450 3.637 20 0 DHADLN Cc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)nc1 ZINC000302952904 1013564946 /nfs/dbraw/zinc/56/49/46/1013564946.db2.gz NAUSXOTZDDECGU-UHFFFAOYSA-N 0 2 324.405 3.858 20 0 DHADLN CCOc1cccc(NS(=O)(=O)c2cc(C)c(C)s2)c1 ZINC000091014543 1013954110 /nfs/dbraw/zinc/95/41/10/1013954110.db2.gz RZSRIIZNVLBLKW-UHFFFAOYSA-N 0 2 311.428 3.564 20 0 DHADLN CC(C)c1cc(NC[C@@H](CC2CC2)C(=O)[O-])nc(C(C)C)[nH+]1 ZINC001591936401 976459673 /nfs/dbraw/zinc/45/96/73/976459673.db2.gz WTVZGLVGRYDEDC-CYBMUJFWSA-N 0 2 305.422 3.636 20 0 DHADLN CC(C)c1ccc(C[N@H+](C)Cc2ncc(C(=O)[O-])s2)cc1 ZINC001591953858 976520019 /nfs/dbraw/zinc/52/00/19/976520019.db2.gz FEKCWVVLYCUQFM-UHFFFAOYSA-N 0 2 304.415 3.597 20 0 DHADLN CC(C)c1ccc(C[N@@H+](C)Cc2ncc(C(=O)[O-])s2)cc1 ZINC001591953858 976520026 /nfs/dbraw/zinc/52/00/26/976520026.db2.gz FEKCWVVLYCUQFM-UHFFFAOYSA-N 0 2 304.415 3.597 20 0 DHADLN CC(C)(C)SCC(=O)NOCc1ccc(C(F)(F)F)cc1 ZINC000160658051 1014393921 /nfs/dbraw/zinc/39/39/21/1014393921.db2.gz SFDNWBDYJXDMLJ-UHFFFAOYSA-N 0 2 321.364 3.785 20 0 DHADLN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2c[nH]nc2C2CC2)cc1 ZINC000580902840 1014432718 /nfs/dbraw/zinc/43/27/18/1014432718.db2.gz NIENZSAFAPFIRD-LLVKDONJSA-N 0 2 319.430 3.601 20 0 DHADLN O=C(Nc1cnc(C2CC2)nc1)c1c(O)cc(Cl)cc1Cl ZINC000130232062 1015074970 /nfs/dbraw/zinc/07/49/70/1015074970.db2.gz MUAVCAWIRBJFKS-UHFFFAOYSA-N 0 2 324.167 3.619 20 0 DHADLN CCSCc1cc[nH+]c(NCc2ccc(/C=C\C(=O)[O-])o2)c1 ZINC001597266829 987298494 /nfs/dbraw/zinc/29/84/94/987298494.db2.gz BHFMSEIIZMIKLZ-WAYWQWQTSA-N 0 2 318.398 3.638 20 0 DHADLN CCSCc1cc[nH+]c(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@H]2C)c1 ZINC001597267200 987301129 /nfs/dbraw/zinc/30/11/29/987301129.db2.gz HEZKTUQXGXONQF-KWCYVHTRSA-N 0 2 308.447 3.636 20 0 DHADLN Cc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1Cl ZINC000008104962 1015307635 /nfs/dbraw/zinc/30/76/35/1015307635.db2.gz SQHMVIMSHBACDQ-UHFFFAOYSA-N 0 2 317.744 3.727 20 0 DHADLN CCc1oc(C[NH2+][C@@H](C)c2c(F)cccc2OC)cc1C(=O)[O-] ZINC001597799355 989380554 /nfs/dbraw/zinc/38/05/54/989380554.db2.gz PUVLSWWWTLIKNN-JTQLQIEISA-N 0 2 321.348 3.539 20 0 DHADLN CCn1c2ccccc2nc1[C@H](C)Nc1ccc(C)c(C(=O)[O-])[nH+]1 ZINC001597839711 989531774 /nfs/dbraw/zinc/53/17/74/989531774.db2.gz HPAUPUKOIYUECM-LBPRGKRZSA-N 0 2 324.384 3.631 20 0 DHADLN C[N@H+](Cc1cc2ccccc2o1)[C@H](C(=O)[O-])c1ccsc1 ZINC001598508910 992542628 /nfs/dbraw/zinc/54/26/28/992542628.db2.gz LMYZJPQMLQHRSS-HNNXBMFYSA-N 0 2 301.367 3.752 20 0 DHADLN C[N@@H+](Cc1cc2ccccc2o1)[C@H](C(=O)[O-])c1ccsc1 ZINC001598508910 992542636 /nfs/dbraw/zinc/54/26/36/992542636.db2.gz LMYZJPQMLQHRSS-HNNXBMFYSA-N 0 2 301.367 3.752 20 0 DHADLN C[C@H](Nc1cc(CC(=O)[O-])cc[nH+]1)c1c(F)cccc1Cl ZINC001593359373 995014838 /nfs/dbraw/zinc/01/48/38/995014838.db2.gz CVCGCMMUZBWAIW-VIFPVBQESA-N 0 2 308.740 3.674 20 0 DHADLN C[C@H](Nc1ccc(C(=O)[O-])c[nH+]1)c1cccc(OC(F)F)c1 ZINC001593362018 995028391 /nfs/dbraw/zinc/02/83/91/995028391.db2.gz BFMYJONSOAXUMB-VIFPVBQESA-N 0 2 308.284 3.554 20 0 DHADLN C[C@H](NC(=O)C(F)C(F)(F)F)c1ccc(F)cc1Cl ZINC000277343449 1016227413 /nfs/dbraw/zinc/22/74/13/1016227413.db2.gz DSVIWWRGHDSVCD-SSDLBLMSSA-N 0 2 301.642 3.557 20 0 DHADLN C[C@H](NC(=O)[C@@H](F)C(F)(F)F)c1ccc(F)cc1Cl ZINC000277343449 1016227420 /nfs/dbraw/zinc/22/74/20/1016227420.db2.gz DSVIWWRGHDSVCD-SSDLBLMSSA-N 0 2 301.642 3.557 20 0 DHADLN CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000152120797 1016350544 /nfs/dbraw/zinc/35/05/44/1016350544.db2.gz HXHIYUOLIGYTAX-INIZCTEOSA-N 0 2 323.444 3.560 20 0 DHADLN Cc1ccc([C@H]2CCCCCN2C(=O)C(F)C(F)(F)F)o1 ZINC000277714454 1016970344 /nfs/dbraw/zinc/97/03/44/1016970344.db2.gz PENDRXVZENYRBO-ZYHUDNBSSA-N 0 2 307.287 3.932 20 0 DHADLN Cc1ccc([C@H]2CCCCCN2C(=O)[C@@H](F)C(F)(F)F)o1 ZINC000277714454 1016970353 /nfs/dbraw/zinc/97/03/53/1016970353.db2.gz PENDRXVZENYRBO-ZYHUDNBSSA-N 0 2 307.287 3.932 20 0 DHADLN Cc1cc(C(C#N)=C(O)C=Cc2cc(C)c(C)cc2C)nc(C)n1 ZINC000049406984 1011896803 /nfs/dbraw/zinc/89/68/03/1011896803.db2.gz SWSZVKWHHSHZTD-IPLHWJFFSA-N 0 2 319.408 3.908 20 0 DHADLN CC(C)(C)c1nc(=N[C@@H]2CCO[C@@H](c3cccs3)C2)s[nH]1 ZINC000413355365 1011905661 /nfs/dbraw/zinc/90/56/61/1011905661.db2.gz SCUWLNKQFSOJSK-GHMZBOCLSA-N 0 2 323.487 3.651 20 0 DHADLN Cc1cccc(C(C)C)c1NS(=O)(=O)c1cccnc1Cl ZINC000035186235 1012131207 /nfs/dbraw/zinc/13/12/07/1012131207.db2.gz CFCNAEUUJGKQAZ-UHFFFAOYSA-N 0 2 324.833 3.968 20 0 DHADLN Cc1cc(C)nc(NS(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000013947716 1017210967 /nfs/dbraw/zinc/21/09/67/1017210967.db2.gz REIBIEFEUFMQQX-UHFFFAOYSA-N 0 2 312.394 3.652 20 0 DHADLN O=S(=O)(Nc1cccc(F)c1)c1c(Cl)cccc1Cl ZINC000016101218 1017828810 /nfs/dbraw/zinc/82/88/10/1017828810.db2.gz PWPFHYWGLMEZKA-UHFFFAOYSA-N 0 2 320.172 3.933 20 0 DHADLN Cc1ccccc1[C@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(C)C ZINC000184474315 1018081903 /nfs/dbraw/zinc/08/19/03/1018081903.db2.gz ICKQIUQCZGIBEW-WCQYABFASA-N 0 2 323.380 3.562 20 0 DHADLN O=C(NCC1(Cc2ccccc2)CCCC1)C(F)C(F)(F)F ZINC000764666343 1018344737 /nfs/dbraw/zinc/34/47/37/1018344737.db2.gz OMFTVPGPSKRFNE-CYBMUJFWSA-N 0 2 317.326 3.806 20 0 DHADLN O=C(NCC1(Cc2ccccc2)CCCC1)[C@@H](F)C(F)(F)F ZINC000764666343 1018344745 /nfs/dbraw/zinc/34/47/45/1018344745.db2.gz OMFTVPGPSKRFNE-CYBMUJFWSA-N 0 2 317.326 3.806 20 0 DHADLN Cc1ccc(NS(=O)(=O)c2ccccc2F)cc1OC(C)C ZINC000447272267 1018359838 /nfs/dbraw/zinc/35/98/38/1018359838.db2.gz VNOAOJQITWAWCD-UHFFFAOYSA-N 0 2 323.389 3.722 20 0 DHADLN COc1cc(C)cc(NS(=O)(=O)c2cccc(C)c2F)c1C ZINC000447278815 1018362597 /nfs/dbraw/zinc/36/25/97/1018362597.db2.gz OZSIXYNBWCMMOQ-UHFFFAOYSA-N 0 2 323.389 3.560 20 0 DHADLN CCc1cncc(C(=O)Nc2cc(Cl)cc(Cl)c2O)c1 ZINC000447542361 1018414806 /nfs/dbraw/zinc/41/48/06/1018414806.db2.gz JAUFZOIZLBYYFA-UHFFFAOYSA-N 0 2 311.168 3.909 20 0 DHADLN Cc1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1C(=O)[O-] ZINC001211594383 1018632425 /nfs/dbraw/zinc/63/24/25/1018632425.db2.gz VOZPXBKLVCVUJJ-UHFFFAOYSA-N 0 2 311.385 3.822 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2nc3ccc(C)cc3s2)s1 ZINC000060544762 1018777023 /nfs/dbraw/zinc/77/70/23/1018777023.db2.gz AQUMOKZPYYVIII-UHFFFAOYSA-N 0 2 324.452 3.775 20 0 DHADLN O=C(CSc1ccc2ccccc2n1)NOCc1ccccc1 ZINC000198380545 1018858712 /nfs/dbraw/zinc/85/87/12/1018858712.db2.gz ZTHVBTOPVDZISC-UHFFFAOYSA-N 0 2 324.405 3.575 20 0 DHADLN CCc1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000007057503 1018999441 /nfs/dbraw/zinc/99/94/41/1018999441.db2.gz FMCVPOGZWLFDQK-UHFFFAOYSA-N 0 2 313.781 3.842 20 0 DHADLN C[C@H]1CN(C(=O)c2c(O)cc(F)cc2F)[C@H]1c1ccccc1 ZINC000075286914 1019011617 /nfs/dbraw/zinc/01/16/17/1019011617.db2.gz UCDOMZAVVMAFQZ-MGPLVRAMSA-N 0 2 303.308 3.504 20 0 DHADLN CSC1CCC(CNC(=O)c2cccc(Cl)c2O)CC1 ZINC001626039972 1019119656 /nfs/dbraw/zinc/11/96/56/1019119656.db2.gz XXTKIEVFDXVIDX-UHFFFAOYSA-N 0 2 313.850 3.697 20 0 DHADLN C[C@H]1CN(C(=O)c2cccc(Cl)c2O)c2cccc(F)c2O1 ZINC001128204544 1019192972 /nfs/dbraw/zinc/19/29/72/1019192972.db2.gz HSQHMZVPNZWTTC-VIFPVBQESA-N 0 2 321.735 3.612 20 0 DHADLN COc1ccccc1[C@H](Nc1nc(C(C)C)no1)c1ccccn1 ZINC000089642813 1019362305 /nfs/dbraw/zinc/36/23/05/1019362305.db2.gz TZYXWJNGMMPCQQ-INIZCTEOSA-N 0 2 324.384 3.798 20 0 DHADLN O=S(=O)(Nc1cccnc1)c1cc2cc(Cl)ccc2s1 ZINC000083577198 1032832677 /nfs/dbraw/zinc/83/26/77/1032832677.db2.gz URVXLYSLFJNLIR-UHFFFAOYSA-N 0 2 324.814 3.751 20 0 DHADLN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccnn2C(C)C)cc1 ZINC000066248399 1019503574 /nfs/dbraw/zinc/50/35/74/1019503574.db2.gz AXNLYCMLMXWEJP-CYBMUJFWSA-N 0 2 321.446 3.778 20 0 DHADLN CCC1(C(=O)Nc2ccc3nn[nH]c3c2)CCC(F)(F)CC1 ZINC000612016828 1020133397 /nfs/dbraw/zinc/13/33/97/1020133397.db2.gz QMKMFQVBNDTPNQ-UHFFFAOYSA-N 0 2 308.332 3.502 20 0 DHADLN C[C@H](CC(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)CC(C)(C)C ZINC000671855024 1020305553 /nfs/dbraw/zinc/30/55/53/1020305553.db2.gz VWQCQWKYKGUZGV-LLVKDONJSA-N 0 2 316.405 3.578 20 0 DHADLN C[C@H](CCNC(=O)c1c(O)cc(F)cc1F)c1ccccc1 ZINC000624256039 1020357849 /nfs/dbraw/zinc/35/78/49/1020357849.db2.gz BSHMUHYRQJAQSQ-LLVKDONJSA-N 0 2 305.324 3.594 20 0 DHADLN O=C(c1c(O)cc(F)cc1F)N1CCC=C(c2ccccc2)C1 ZINC000671915450 1020402266 /nfs/dbraw/zinc/40/22/66/1020402266.db2.gz IZDVYEUOIVLWAL-UHFFFAOYSA-N 0 2 315.319 3.600 20 0 DHADLN C[C@@H](NC(=O)c1c(O)cc(F)cc1F)[C@H](C)c1ccccc1 ZINC000673810314 1020501425 /nfs/dbraw/zinc/50/14/25/1020501425.db2.gz ZIBFRSJLBJGJGT-WDEREUQCSA-N 0 2 305.324 3.592 20 0 DHADLN Cc1ccc2oc(Nc3ccn(Cc4ccccn4)n3)nc2c1 ZINC000734141984 1020568150 /nfs/dbraw/zinc/56/81/50/1020568150.db2.gz XPINOPIJMJOEDO-UHFFFAOYSA-N 0 2 305.341 3.520 20 0 DHADLN CC(C)c1cnc(NS(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000174013996 1020950548 /nfs/dbraw/zinc/95/05/48/1020950548.db2.gz ISXWRKBJYKCPTE-UHFFFAOYSA-N 0 2 316.835 3.721 20 0 DHADLN O=C(CSC(F)(F)F)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000180900140 1021185221 /nfs/dbraw/zinc/18/52/21/1021185221.db2.gz XPWXNPOZCBZMBO-UHFFFAOYSA-N 0 2 320.119 3.891 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCC[C@H]1C1CCCCC1 ZINC000177084214 1021201336 /nfs/dbraw/zinc/20/13/36/1021201336.db2.gz HCVYHEVMPGASDE-HNNXBMFYSA-N 0 2 309.356 3.855 20 0 DHADLN CC[C@H](C)c1ccc(S(=O)(=O)Nc2cccc(F)n2)cc1 ZINC000162283052 1021665386 /nfs/dbraw/zinc/66/53/86/1021665386.db2.gz YGVXIMQDYLELBY-NSHDSACASA-N 0 2 308.378 3.535 20 0 DHADLN CCOC1CC(CC(=O)Nc2cc(Cl)cc(Cl)c2O)C1 ZINC000233724173 1022389840 /nfs/dbraw/zinc/38/98/40/1022389840.db2.gz VCLNFFCAVSBXFV-UHFFFAOYSA-N 0 2 318.200 3.843 20 0 DHADLN Cc1cc2c(cc1C)N(C(=O)c1cccc(Cl)c1O)CC2 ZINC000804320474 1022392025 /nfs/dbraw/zinc/39/20/25/1022392025.db2.gz RISAIGOHCCEVHX-UHFFFAOYSA-N 0 2 301.773 3.865 20 0 DHADLN CC(C)c1ccc(CNC(=O)c2c(O)cc(F)cc2F)cc1 ZINC000620967880 1022463734 /nfs/dbraw/zinc/46/37/34/1022463734.db2.gz ODLDWUJOYZFFBJ-UHFFFAOYSA-N 0 2 305.324 3.724 20 0 DHADLN Cc1cc([C@@H](C)NC(=O)c2c(O)cc(F)cc2F)c(C)s1 ZINC000620969018 1022471282 /nfs/dbraw/zinc/47/12/82/1022471282.db2.gz VNHDUVWRGNXQSS-MRVPVSSYSA-N 0 2 311.353 3.840 20 0 DHADLN C[C@H]([NH2+][C@@H]1COCc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC000417409283 1022725618 /nfs/dbraw/zinc/72/56/18/1022725618.db2.gz VFZNNPMLPNUQMO-MGPUTAFESA-N 0 2 319.408 3.794 20 0 DHADLN COc1ccccc1C(C)(C)NC(=O)c1cccc(Cl)c1O ZINC001125910316 1022805908 /nfs/dbraw/zinc/80/59/08/1022805908.db2.gz DATKSKDPUKDBAC-UHFFFAOYSA-N 0 2 319.788 3.719 20 0 DHADLN Cc1ccc(F)c(CN(C)C(=O)c2cccc(Cl)c2O)c1 ZINC000768333317 1022948266 /nfs/dbraw/zinc/94/82/66/1022948266.db2.gz TVUKZIVXUGPCHY-UHFFFAOYSA-N 0 2 307.752 3.765 20 0 DHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1ccc[nH]c1=S ZINC000770536850 1023323266 /nfs/dbraw/zinc/32/32/66/1023323266.db2.gz NZDYYHJOFYNVCF-UHFFFAOYSA-N 0 2 315.181 3.635 20 0 DHADLN Cc1csc([C@@H](C#N)C(=O)C[C@@H](C)c2ccc(F)cc2)n1 ZINC000125054400 1023420813 /nfs/dbraw/zinc/42/08/13/1023420813.db2.gz MJKKVKVKCGFRMD-YGRLFVJLSA-N 0 2 302.374 3.961 20 0 DHADLN CCCCOc1ccc(CNC(=O)C(F)(F)F)cc1Cl ZINC000787409828 1023793409 /nfs/dbraw/zinc/79/34/09/1023793409.db2.gz ABNVAKCPKFQPFO-UHFFFAOYSA-N 0 2 309.715 3.697 20 0 DHADLN CCc1ccc(S(=O)(=O)Nc2ccc(SC)cc2)s1 ZINC000048653711 1023802950 /nfs/dbraw/zinc/80/29/50/1023802950.db2.gz WHACCKNLZLLTDQ-UHFFFAOYSA-N 0 2 313.469 3.833 20 0 DHADLN CCN(C(=O)C(F)C(F)(F)F)[C@H](C)c1cccc(OC)c1 ZINC000788127569 1023852387 /nfs/dbraw/zinc/85/23/87/1023852387.db2.gz FVUJOSMIAJFFAA-BXKDBHETSA-N 0 2 307.287 3.505 20 0 DHADLN CCN(C(=O)[C@@H](F)C(F)(F)F)[C@H](C)c1cccc(OC)c1 ZINC000788127569 1023852393 /nfs/dbraw/zinc/85/23/93/1023852393.db2.gz FVUJOSMIAJFFAA-BXKDBHETSA-N 0 2 307.287 3.505 20 0 DHADLN O=C(NC(c1ccccc1)c1ccccc1)C(F)C(F)(F)F ZINC000788123373 1023853004 /nfs/dbraw/zinc/85/30/04/1023853004.db2.gz HAFXHIKHYPDLPA-AWEZNQCLSA-N 0 2 311.278 3.793 20 0 DHADLN O=C(NC(c1ccccc1)c1ccccc1)[C@H](F)C(F)(F)F ZINC000788123373 1023853009 /nfs/dbraw/zinc/85/30/09/1023853009.db2.gz HAFXHIKHYPDLPA-AWEZNQCLSA-N 0 2 311.278 3.793 20 0 DHADLN CC[C@H](CC(C)C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001172396903 1033181494 /nfs/dbraw/zinc/18/14/94/1033181494.db2.gz HPNPLDSIZUXACD-IAGOWNOFSA-N 0 2 320.525 3.925 20 0 DHADLN C[C@H](NC(=O)c1cccc(Cl)c1O)c1ccc(F)c(F)c1 ZINC001126230030 1024138621 /nfs/dbraw/zinc/13/86/21/1024138621.db2.gz WSJRLGSPTAEOCJ-QMMMGPOBSA-N 0 2 311.715 3.815 20 0 DHADLN CC[C@H](CC1CCCCC1)C(=O)Nc1ccc2nn[nH]c2c1 ZINC001137189253 1024433932 /nfs/dbraw/zinc/43/39/32/1024433932.db2.gz LUSIXUJFXFAERK-CYBMUJFWSA-N 0 2 300.406 3.893 20 0 DHADLN CC(C)(C)Oc1ccccc1NS(=O)(=O)c1ccsc1 ZINC000349971770 1024775686 /nfs/dbraw/zinc/77/56/86/1024775686.db2.gz KPSZMQMZYFPYLV-UHFFFAOYSA-N 0 2 311.428 3.726 20 0 DHADLN COCCCONC(=O)C1(c2ccc(C(C)C)cc2)CCCC1 ZINC000805042872 1025526492 /nfs/dbraw/zinc/52/64/92/1025526492.db2.gz JKZQGTGKCSHLIK-UHFFFAOYSA-N 0 2 319.445 3.706 20 0 DHADLN O=C(CCc1cscn1)Nc1cc(Cl)cc(Cl)c1O ZINC000355660263 1025800370 /nfs/dbraw/zinc/80/03/70/1025800370.db2.gz AOFANNWYCYEFTM-UHFFFAOYSA-N 0 2 317.197 3.727 20 0 DHADLN O=S(=O)(Nc1cccc(C(F)F)c1)c1ccc(F)cc1F ZINC000195452049 1026002917 /nfs/dbraw/zinc/00/29/17/1026002917.db2.gz AVZILEANAXPLQK-UHFFFAOYSA-N 0 2 319.279 3.703 20 0 DHADLN O=C([O-])c1ccc[nH+]c1N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000614259663 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ZINC000547112683 341196467 /nfs/dbraw/zinc/19/64/67/341196467.db2.gz RHDBRYYOLKPAEQ-UHFFFAOYSA-N 0 2 311.179 3.793 20 0 DHADLN C[C@H]1c2c(F)cccc2CCN1C(=O)c1cc(F)c(O)c(F)c1 ZINC000547271505 341203221 /nfs/dbraw/zinc/20/32/21/341203221.db2.gz QECZYKUGERIXAO-VIFPVBQESA-N 0 2 321.298 3.569 20 0 DHADLN Cc1ccc(C)c(NS(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000551116829 341331982 /nfs/dbraw/zinc/33/19/82/341331982.db2.gz JEXWDMZWAJNBLU-UHFFFAOYSA-N 0 2 313.781 3.897 20 0 DHADLN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(F)c(F)c(O)c1F ZINC000248404780 341376762 /nfs/dbraw/zinc/37/67/62/341376762.db2.gz AACXFQOXESRROI-KBVBSXBZSA-N 0 2 313.319 3.603 20 0 DHADLN C[C@@H]1CN(C(=O)c2cc(F)c(O)c(Cl)c2)[C@@H]2CCCC[C@H]21 ZINC000248728264 341385155 /nfs/dbraw/zinc/38/51/55/341385155.db2.gz JIISPTLSKNOOHB-OLUVUFQESA-N 0 2 311.784 3.835 20 0 DHADLN CCCCCOCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000159293128 341693925 /nfs/dbraw/zinc/69/39/25/341693925.db2.gz SKGRESDZBNSHLU-UHFFFAOYSA-N 0 2 306.189 3.844 20 0 DHADLN CC1CCC(OCC(=O)NC[C@H]2CCCC(F)(F)C2)CC1 ZINC000337129769 520960752 /nfs/dbraw/zinc/96/07/52/520960752.db2.gz BMQSGPYZEHORQV-MOKVOYLWSA-N 0 2 303.393 3.523 20 0 DHADLN CC[C@H]1C[C@@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CCO1 ZINC000163704255 523365708 /nfs/dbraw/zinc/36/57/08/523365708.db2.gz WOXOQNKLWHSLGE-WPRPVWTQSA-N 0 2 318.200 3.843 20 0 DHADLN CO[C@H](C)c1cccc(NS(=O)(=O)c2ccc(C)s2)c1 ZINC000339207373 523903526 /nfs/dbraw/zinc/90/35/26/523903526.db2.gz OBQCLOOAPPKVMS-LLVKDONJSA-N 0 2 311.428 3.565 20 0 DHADLN O=S(=O)(Nc1ccc(F)c(C2CC2)c1)c1ccccc1F ZINC000337160234 527248909 /nfs/dbraw/zinc/24/89/09/527248909.db2.gz SRPVADSYYFPBGH-UHFFFAOYSA-N 0 2 309.337 3.643 20 0 DHADLN O=C([O-])c1ccc(C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000819676114 597301353 /nfs/dbraw/zinc/30/13/53/597301353.db2.gz VGIHSKSBNUXFAC-MRXNPFEDSA-N 0 2 324.405 3.721 20 0 DHADLN C[C@@H]([NH2+][C@@H](C(=O)[O-])c1ccccc1)c1nc2ccccc2s1 ZINC000315184952 600438726 /nfs/dbraw/zinc/43/87/26/600438726.db2.gz JJHAHMBCAPCSRH-IAQYHMDHSA-N 0 2 312.394 3.773 20 0 DHADLN COc1c(C)c[nH+]c(CSCc2ccc(C(=O)[O-])cc2)c1C ZINC000737839090 600580964 /nfs/dbraw/zinc/58/09/64/600580964.db2.gz BWEVXRSBMKEFTN-UHFFFAOYSA-N 0 2 317.410 3.839 20 0 DHADLN Cc1cccnc1[C@@H]([NH2+][C@H](C(=O)[O-])c1ccccc1F)C(C)C ZINC000832983576 601011422 /nfs/dbraw/zinc/01/14/22/601011422.db2.gz LAPCGNFIAVHGHO-RDJZCZTQSA-N 0 2 316.376 3.642 20 0 DHADLN Cc1ccc(-c2nc(C[N@@H+]3CCCCC[C@H]3C(=O)[O-])cs2)o1 ZINC000833746678 605851204 /nfs/dbraw/zinc/85/12/04/605851204.db2.gz NPAISMFNBHATKF-ZDUSSCGKSA-N 0 2 320.414 3.541 20 0 DHADLN Cc1ccc(-c2nc(C[N@H+]3CCCCC[C@H]3C(=O)[O-])cs2)o1 ZINC000833746678 605851208 /nfs/dbraw/zinc/85/12/08/605851208.db2.gz NPAISMFNBHATKF-ZDUSSCGKSA-N 0 2 320.414 3.541 20 0 DHADLN C[C@@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)[C@H](C(=O)[O-])C1 ZINC000129301266 958696867 /nfs/dbraw/zinc/69/68/67/958696867.db2.gz PIVGWMHKDHTAEA-MFKMUULPSA-N 0 2 322.455 3.557 20 0 DHADLN C[C@@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)[C@H](C(=O)[O-])C1 ZINC000129301266 958696875 /nfs/dbraw/zinc/69/68/75/958696875.db2.gz PIVGWMHKDHTAEA-MFKMUULPSA-N 0 2 322.455 3.557 20 0 DHADLN O=C([O-])c1ccc(F)c(C[N@@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC001231458948 960611245 /nfs/dbraw/zinc/61/12/45/960611245.db2.gz QPIJPMAPUDTQHR-UHFFFAOYSA-N 0 2 319.763 3.736 20 0 DHADLN O=C([O-])c1ccc(F)c(C[N@H+]2CCc3cc(Cl)ccc3C2)c1 ZINC001231458948 960611253 /nfs/dbraw/zinc/61/12/53/960611253.db2.gz QPIJPMAPUDTQHR-UHFFFAOYSA-N 0 2 319.763 3.736 20 0 DHADLN CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000236862446 960780121 /nfs/dbraw/zinc/78/01/21/960780121.db2.gz SAAWEYGSUWBOSM-LLVKDONJSA-N 0 2 322.792 3.680 20 0 DHADLN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000236862446 960780140 /nfs/dbraw/zinc/78/01/40/960780140.db2.gz SAAWEYGSUWBOSM-LLVKDONJSA-N 0 2 322.792 3.680 20 0 DHADLN O=S(=O)(Nc1cc(F)cc(F)c1)c1cccc(Cl)c1F ZINC000048653743 1013381553 /nfs/dbraw/zinc/38/15/53/1013381553.db2.gz WDIWLSZGPTWJEO-UHFFFAOYSA-N 0 2 321.707 3.558 20 0 DHADLN CC(C)(C)CCCC(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000520272950 1013691858 /nfs/dbraw/zinc/69/18/58/1013691858.db2.gz TVQWCSRBJQWLIO-UHFFFAOYSA-N 0 2 304.369 3.766 20 0 DHADLN CCc1ccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)s1 ZINC000112850704 1013764626 /nfs/dbraw/zinc/76/46/26/1013764626.db2.gz IXDWWZCTNHKGIU-UHFFFAOYSA-N 0 2 306.412 3.593 20 0 DHADLN Cc1cccc(C2=CCN(C(=O)C(F)C(F)(F)F)CC2)c1C ZINC000891344584 1014464972 /nfs/dbraw/zinc/46/49/72/1014464972.db2.gz ZQSOXAWGIBMDSH-CQSZACIVSA-N 0 2 315.310 3.820 20 0 DHADLN Cc1cccc(C2=CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)c1C ZINC000891344584 1014464976 /nfs/dbraw/zinc/46/49/76/1014464976.db2.gz ZQSOXAWGIBMDSH-CQSZACIVSA-N 0 2 315.310 3.820 20 0 DHADLN O=C(CSc1ccc2ccccc2c1)NOCc1cccnc1 ZINC000160728983 1014511734 /nfs/dbraw/zinc/51/17/34/1014511734.db2.gz CEIIYXWLXKNTCQ-UHFFFAOYSA-N 0 2 324.405 3.575 20 0 DHADLN Cc1ccoc1C[NH2+][C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000756346197 978698571 /nfs/dbraw/zinc/69/85/71/978698571.db2.gz BEUAZQAALRGDON-CYBMUJFWSA-N 0 2 313.275 3.522 20 0 DHADLN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1cncn1C(C)C ZINC001595362942 980776791 /nfs/dbraw/zinc/77/67/91/980776791.db2.gz UGJKXGCUOOTNEZ-KRWDZBQOSA-N 0 2 315.417 3.502 20 0 DHADLN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cncn1C(C)C ZINC001595362942 980776793 /nfs/dbraw/zinc/77/67/93/980776793.db2.gz UGJKXGCUOOTNEZ-KRWDZBQOSA-N 0 2 315.417 3.502 20 0 DHADLN CCc1oc(C[NH2+][C@H](CC)c2nc(C)cs2)cc1C(=O)[O-] ZINC000902228254 980792122 /nfs/dbraw/zinc/79/21/22/980792122.db2.gz JHAXVGWUKWXQNK-GFCCVEGCSA-N 0 2 308.403 3.546 20 0 DHADLN O=C([O-])[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(C2CCCCC2)cc1 ZINC000903616475 980994241 /nfs/dbraw/zinc/99/42/41/980994241.db2.gz FCHIHUXHMYOIJQ-IRXDYDNUSA-N 0 2 305.393 3.731 20 0 DHADLN O=C([O-])[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(C2CCCCC2)cc1 ZINC000903616475 980994246 /nfs/dbraw/zinc/99/42/46/980994246.db2.gz FCHIHUXHMYOIJQ-IRXDYDNUSA-N 0 2 305.393 3.731 20 0 DHADLN Cc1cccc(F)c1S(=O)(=O)Nc1ccc2ccoc2c1 ZINC000442843835 1014743628 /nfs/dbraw/zinc/74/36/28/1014743628.db2.gz FCTLUZMVZAGVEQ-UHFFFAOYSA-N 0 2 305.330 3.681 20 0 DHADLN Cc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2C)c1F ZINC000313245149 1014811458 /nfs/dbraw/zinc/81/14/58/1014811458.db2.gz LIWFZQCTBFDIPA-UHFFFAOYSA-N 0 2 313.781 3.897 20 0 DHADLN CC(C)CCc1nc(C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])cs1 ZINC000581554047 1014990087 /nfs/dbraw/zinc/99/00/87/1014990087.db2.gz QCOVNRAMOIFKCV-AWEZNQCLSA-N 0 2 312.479 3.663 20 0 DHADLN CC(C)CCc1nc(C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-])cs1 ZINC000581554047 1014990093 /nfs/dbraw/zinc/99/00/93/1014990093.db2.gz QCOVNRAMOIFKCV-AWEZNQCLSA-N 0 2 312.479 3.663 20 0 DHADLN C[C@@H]1Oc2ccccc2[C@H]1[NH2+][C@@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001594655159 986888121 /nfs/dbraw/zinc/88/81/21/986888121.db2.gz NAPAPSIOWGWPAO-CIISACIHSA-N 0 2 317.772 3.578 20 0 DHADLN CCc1c[nH]c2nc[nH+]c(Nc3ccc(C[C@@H](C)C(=O)[O-])cc3)c12 ZINC001597421157 987738142 /nfs/dbraw/zinc/73/81/42/987738142.db2.gz HDYXUYHIXQNKTM-LLVKDONJSA-N 0 2 324.384 3.527 20 0 DHADLN CSc1ncc(Nc2nnc(-c3ccco3)o2)cc1Cl ZINC001216025300 1015364876 /nfs/dbraw/zinc/36/48/76/1015364876.db2.gz NBNWYKSTKKNRNB-UHFFFAOYSA-N 0 2 308.750 3.844 20 0 DHADLN CCCC(CCC)C(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000581894426 1015474027 /nfs/dbraw/zinc/47/40/27/1015474027.db2.gz SCGRFIRCYKEWRD-UHFFFAOYSA-N 0 2 316.405 3.641 20 0 DHADLN Fc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1C(F)F ZINC000891842407 1015676564 /nfs/dbraw/zinc/67/65/64/1015676564.db2.gz LRXFBXYIOKTNKS-UHFFFAOYSA-N 0 2 309.335 3.797 20 0 DHADLN C[C@H]([NH2+]CC(F)(F)c1ccccc1)c1cc(C(=O)[O-])cs1 ZINC001593249934 994481776 /nfs/dbraw/zinc/48/17/76/994481776.db2.gz ZDJVLDRLKSDBFX-JTQLQIEISA-N 0 2 311.353 3.889 20 0 DHADLN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)C(F)C(F)(F)F)C2CC2)o1 ZINC000277491522 1016410928 /nfs/dbraw/zinc/41/09/28/1016410928.db2.gz RFVNQYUMTDLICO-WLTAIBSBSA-N 0 2 319.298 3.794 20 0 DHADLN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)[C@H](F)C(F)(F)F)C2CC2)o1 ZINC000277491522 1016410943 /nfs/dbraw/zinc/41/09/43/1016410943.db2.gz RFVNQYUMTDLICO-WLTAIBSBSA-N 0 2 319.298 3.794 20 0 DHADLN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1c(O)cc(F)cc1F ZINC000684777777 1016441160 /nfs/dbraw/zinc/44/11/60/1016441160.db2.gz WGLNIGBCLMANGO-WCQYABFASA-N 0 2 323.726 3.610 20 0 DHADLN Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2Cl)n1 ZINC000342579964 1016794064 /nfs/dbraw/zinc/79/40/64/1016794064.db2.gz ILPUKHZUQAHUIV-UHFFFAOYSA-N 0 2 323.226 3.559 20 0 DHADLN Cc1[nH+]ccn1CC[N@@H+](CCC(F)(F)F)Cc1ccccc1 ZINC000362124148 1032240034 /nfs/dbraw/zinc/24/00/34/1032240034.db2.gz JFEOLXQOCQEHSJ-UHFFFAOYSA-N 0 2 311.351 3.646 20 0 DHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCC[C@H]1C1CCCC1 ZINC000121810948 1032481072 /nfs/dbraw/zinc/48/10/72/1032481072.db2.gz MRZCTBPFKRJZRM-AWEZNQCLSA-N 0 2 311.784 3.980 20 0 DHADLN Cc1ccc(C(C)(C)C)cc1S(O)=CC(=O)N[C@H](C)C(C)C ZINC000107959033 1011922943 /nfs/dbraw/zinc/92/29/43/1011922943.db2.gz KBKZFBHIGOOPAJ-JLCFBVMHSA-N 0 2 323.502 3.561 20 0 DHADLN C[N@H+]1CC=C(Nc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC001208792912 1012653916 /nfs/dbraw/zinc/65/39/16/1012653916.db2.gz AISQGYCKZTULQV-UHFFFAOYSA-N 0 2 318.218 3.629 20 0 DHADLN CCCCO[C@@H](C)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000154713842 1012964566 /nfs/dbraw/zinc/96/45/66/1012964566.db2.gz FFHJDEDMRACYEW-QMMMGPOBSA-N 0 2 306.189 3.843 20 0 DHADLN C[C@@H]1CCN(C(=O)c2c(O)cc(F)cc2F)[C@@H]2CCCC[C@@H]12 ZINC000674138352 1017866724 /nfs/dbraw/zinc/86/67/24/1017866724.db2.gz ZHCHEXCWGDGUFK-SCDSUCTJSA-N 0 2 309.356 3.711 20 0 DHADLN C[C@@H](C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1)C1CCCC1 ZINC000674137194 1017868414 /nfs/dbraw/zinc/86/84/14/1017868414.db2.gz URBLLVVNXXYXIF-SECBINFHSA-N 0 2 320.343 3.515 20 0 DHADLN C[C@H](CC(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccccc1F ZINC000524358546 1017970517 /nfs/dbraw/zinc/97/05/17/1017970517.db2.gz ADFVAIZJRQXQBR-SNVBAGLBSA-N 0 2 321.421 3.529 20 0 DHADLN Cc1ccccc1[C@@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(C)C ZINC000184474368 1018081834 /nfs/dbraw/zinc/08/18/34/1018081834.db2.gz ICKQIUQCZGIBEW-YPMHNXCESA-N 0 2 323.380 3.562 20 0 DHADLN O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)C(F)C(F)(F)F ZINC000764493465 1018295604 /nfs/dbraw/zinc/29/56/04/1018295604.db2.gz IFSOKMBSGOCIOH-MCIONIFRSA-N 0 2 317.326 3.805 20 0 DHADLN O=C(N[C@@H]1CCCC[C@@H]1Cc1ccccc1)[C@H](F)C(F)(F)F ZINC000764493465 1018295612 /nfs/dbraw/zinc/29/56/12/1018295612.db2.gz IFSOKMBSGOCIOH-MCIONIFRSA-N 0 2 317.326 3.805 20 0 DHADLN COc1cc(C)cc(NS(=O)(=O)c2ccc(C)cc2F)c1C ZINC000447266661 1018360344 /nfs/dbraw/zinc/36/03/44/1018360344.db2.gz YBYJQGPAZGNGEI-UHFFFAOYSA-N 0 2 323.389 3.560 20 0 DHADLN CCc1cccc(Cl)c1C[NH2+][C@H](C)c1nc(C(=O)[O-])cs1 ZINC000630463336 1018432173 /nfs/dbraw/zinc/43/21/73/1018432173.db2.gz BAOAQRFKWAWCPG-SECBINFHSA-N 0 2 324.833 3.908 20 0 DHADLN CC(C)OC(C)(C)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000383976458 1018450449 /nfs/dbraw/zinc/45/04/49/1018450449.db2.gz GOKIGQGWYVVQQI-UHFFFAOYSA-N 0 2 306.189 3.841 20 0 DHADLN CC(C)Oc1cccc([C@H](C)NC(=O)C(F)C(F)(F)F)c1 ZINC000278618802 1018937303 /nfs/dbraw/zinc/93/73/03/1018937303.db2.gz MLEXMUVGPGIBAW-JOYOIKCWSA-N 0 2 307.287 3.551 20 0 DHADLN CC(C)Oc1cccc([C@H](C)NC(=O)[C@@H](F)C(F)(F)F)c1 ZINC000278618802 1018937312 /nfs/dbraw/zinc/93/73/12/1018937312.db2.gz MLEXMUVGPGIBAW-JOYOIKCWSA-N 0 2 307.287 3.551 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000278753981 1019228941 /nfs/dbraw/zinc/22/89/41/1019228941.db2.gz VTVYXHONUNGGRW-QWRGUYRKSA-N 0 2 309.690 3.904 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@H]1c1ccc(Cl)cc1 ZINC000278753981 1019228928 /nfs/dbraw/zinc/22/89/28/1019228928.db2.gz VTVYXHONUNGGRW-QWRGUYRKSA-N 0 2 309.690 3.904 20 0 DHADLN COCCC(C)(C)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000128558884 1032815686 /nfs/dbraw/zinc/81/56/86/1032815686.db2.gz BEHFWFHANAUCJR-UHFFFAOYSA-N 0 2 306.189 3.700 20 0 DHADLN O=S(=O)(Nc1cccc2c[nH]nc21)c1cccc2ccccc21 ZINC000084460632 1019269386 /nfs/dbraw/zinc/26/93/86/1019269386.db2.gz IRWJJUADZSHMNW-UHFFFAOYSA-N 0 2 323.377 3.517 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)s1 ZINC000057119317 1019557354 /nfs/dbraw/zinc/55/73/54/1019557354.db2.gz MOURVHORHYPUEJ-UHFFFAOYSA-N 0 2 320.395 3.512 20 0 DHADLN O=C(N=c1ccc(C2CC2)n[nH]1)N1CCCC[C@H]1c1ccccc1 ZINC000514897733 1019585820 /nfs/dbraw/zinc/58/58/20/1019585820.db2.gz ZDNSLFVDOXWJFB-KRWDZBQOSA-N 0 2 322.412 3.535 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)s1 ZINC000069572799 1020054975 /nfs/dbraw/zinc/05/49/75/1020054975.db2.gz LOOLNAJEUBTTMM-UHFFFAOYSA-N 0 2 301.820 3.819 20 0 DHADLN Cc1cccc(S(=O)(=O)Nc2nc3c(cccc3C)s2)c1 ZINC000612012385 1020131665 /nfs/dbraw/zinc/13/16/65/1020131665.db2.gz YSERGPFBHSSOTO-UHFFFAOYSA-N 0 2 318.423 3.714 20 0 DHADLN CO[C@@H](C(=O)Nc1cc(Cl)c(O)c(Cl)c1)C1CCCC1 ZINC000613160526 1020837104 /nfs/dbraw/zinc/83/71/04/1020837104.db2.gz RQZFMRDASLBTTN-CYBMUJFWSA-N 0 2 318.200 3.843 20 0 DHADLN N#CC(C(=O)C=Cc1cccc(F)c1)c1nc2ccccc2o1 ZINC000066516782 1020903866 /nfs/dbraw/zinc/90/38/66/1020903866.db2.gz PTPYAGLQPPQGIJ-CKXPSTMWSA-N 0 2 306.296 3.857 20 0 DHADLN O=C(NC[C@@H]1CCCc2ccccc21)c1cc(F)c(O)c(F)c1 ZINC000177030865 1021191911 /nfs/dbraw/zinc/19/19/11/1021191911.db2.gz GMLCOCUYZCPZLZ-LBPRGKRZSA-N 0 2 317.335 3.520 20 0 DHADLN CC(C)(CNC(=O)c1cc(F)c(O)c(F)c1)c1ccccc1F ZINC000177135122 1021213401 /nfs/dbraw/zinc/21/34/01/1021213401.db2.gz UKESYVRKGANHSE-UHFFFAOYSA-N 0 2 323.314 3.517 20 0 DHADLN CCOc1cccc([C@@H](C)NC(=O)c2cc(F)c(O)c(F)c2)c1 ZINC000177124257 1021215831 /nfs/dbraw/zinc/21/58/31/1021215831.db2.gz QFRUARMNXFHZDB-SNVBAGLBSA-N 0 2 321.323 3.560 20 0 DHADLN C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000538018726 1032975758 /nfs/dbraw/zinc/97/57/58/1032975758.db2.gz UMXZJABUIFHFDW-SGTLLEGYSA-N 0 2 322.387 3.634 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc[nH]c1=S ZINC000154735585 1021529090 /nfs/dbraw/zinc/52/90/90/1021529090.db2.gz VZYOKXNWIARERZ-UHFFFAOYSA-N 0 2 315.181 3.635 20 0 DHADLN Cc1nc(CC(=O)Nc2cc(Cl)c(O)c(Cl)c2)cs1 ZINC000154735130 1021529514 /nfs/dbraw/zinc/52/95/14/1021529514.db2.gz CWSOVZSMYLZEJJ-UHFFFAOYSA-N 0 2 317.197 3.645 20 0 DHADLN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cccc(F)n2)cc1 ZINC000162282914 1021665297 /nfs/dbraw/zinc/66/52/97/1021665297.db2.gz YGVXIMQDYLELBY-LLVKDONJSA-N 0 2 308.378 3.535 20 0 DHADLN CCC[C@H](C)N(C)C(=O)c1cc(F)cc(Br)c1O ZINC000416139438 1022149900 /nfs/dbraw/zinc/14/99/00/1022149900.db2.gz WLUKWAZBCJUPMH-QMMMGPOBSA-N 0 2 318.186 3.554 20 0 DHADLN CC(C)(O)CONc1nc(Cl)c(C(F)(F)F)cc1Cl ZINC000853544402 1022290070 /nfs/dbraw/zinc/29/00/70/1022290070.db2.gz UCAYPMGXFQHQNW-UHFFFAOYSA-N 0 2 319.110 3.522 20 0 DHADLN Cc1ccccc1CN(C(=O)c1c(O)cc(F)cc1F)C1CC1 ZINC000620967735 1022478205 /nfs/dbraw/zinc/47/82/05/1022478205.db2.gz FDHWOESNHSUDMV-UHFFFAOYSA-N 0 2 317.335 3.784 20 0 DHADLN O=C(NCc1cc(Cl)cc(Cl)c1)C(F)C(F)(F)F ZINC000855151948 1022587444 /nfs/dbraw/zinc/58/74/44/1022587444.db2.gz TXWFLBNNRQFCKR-MRVPVSSYSA-N 0 2 304.070 3.510 20 0 DHADLN O=C(NCc1cc(Cl)cc(Cl)c1)[C@@H](F)C(F)(F)F ZINC000855151948 1022587448 /nfs/dbraw/zinc/58/74/48/1022587448.db2.gz TXWFLBNNRQFCKR-MRVPVSSYSA-N 0 2 304.070 3.510 20 0 DHADLN O=C(NCc1cc(Cl)cc(Cl)c1)C(F)C(F)(F)F ZINC000855151952 1022587882 /nfs/dbraw/zinc/58/78/82/1022587882.db2.gz TXWFLBNNRQFCKR-QMMMGPOBSA-N 0 2 304.070 3.510 20 0 DHADLN O=C(NCc1cc(Cl)cc(Cl)c1)[C@H](F)C(F)(F)F ZINC000855151952 1022587909 /nfs/dbraw/zinc/58/79/09/1022587909.db2.gz TXWFLBNNRQFCKR-QMMMGPOBSA-N 0 2 304.070 3.510 20 0 DHADLN CC(C)(c1ccccc1)C1(NC(=O)C(F)C(F)(F)F)CC1 ZINC000837096741 1022727913 /nfs/dbraw/zinc/72/79/13/1022727913.db2.gz NVIOHCJQTPPCBX-NSHDSACASA-N 0 2 303.299 3.513 20 0 DHADLN CC(C)(c1ccccc1)C1(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC000837096741 1022727933 /nfs/dbraw/zinc/72/79/33/1022727933.db2.gz NVIOHCJQTPPCBX-NSHDSACASA-N 0 2 303.299 3.513 20 0 DHADLN CCOC(=O)c1c(C)cc(-c2cccc(Cl)c2O)nc1C ZINC001242363716 1022736237 /nfs/dbraw/zinc/73/62/37/1022736237.db2.gz IJLIWRVZLGZTMT-UHFFFAOYSA-N 0 2 305.761 3.901 20 0 DHADLN Cc1cccc([C@@H]([NH2+]Cc2sccc2Cl)C(=O)[O-])c1C ZINC000417572953 1022788150 /nfs/dbraw/zinc/78/81/50/1022788150.db2.gz ZERQPMXGHZKQKI-CQSZACIVSA-N 0 2 309.818 3.934 20 0 DHADLN O=S(=O)(Nc1cccnc1-c1ccccc1)c1cccs1 ZINC000164993705 1022966221 /nfs/dbraw/zinc/96/62/21/1022966221.db2.gz IROUDACKRMLUJI-UHFFFAOYSA-N 0 2 316.407 3.611 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCCC2(CCCC2)CC1 ZINC000617564100 1022990848 /nfs/dbraw/zinc/99/08/48/1022990848.db2.gz DNRKCAWEARSSNV-UHFFFAOYSA-N 0 2 309.356 3.857 20 0 DHADLN O=C(N[C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21)C(F)(F)F ZINC000859369606 1033130511 /nfs/dbraw/zinc/13/05/11/1033130511.db2.gz IJWSLCACICAOTA-LLVKDONJSA-N 0 2 316.710 3.877 20 0 DHADLN C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1cc[nH+]c2c(Cl)cccc12 ZINC000662893052 1023652440 /nfs/dbraw/zinc/65/24/40/1023652440.db2.gz ICMHESHKIOSZJB-GHMZBOCLSA-N 0 2 304.777 3.578 20 0 DHADLN CC(C)(Cc1ccc(Cl)cc1Cl)NC(=O)C(F)(F)F ZINC000746646835 1023764267 /nfs/dbraw/zinc/76/42/67/1023764267.db2.gz ASQQBRGYVJTXAF-UHFFFAOYSA-N 0 2 314.134 3.993 20 0 DHADLN O=C(NCCCc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000746657298 1023767183 /nfs/dbraw/zinc/76/71/83/1023767183.db2.gz MSAKYZSUFYJHDU-UHFFFAOYSA-N 0 2 300.107 3.605 20 0 DHADLN CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(Cl)c1O ZINC000787496781 1023797761 /nfs/dbraw/zinc/79/77/61/1023797761.db2.gz BVIHOMVNIRGJCN-JTQLQIEISA-N 0 2 321.726 3.849 20 0 DHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000048652989 1023801164 /nfs/dbraw/zinc/80/11/64/1023801164.db2.gz UHIDOXSAUQAGRF-UHFFFAOYSA-N 0 2 317.744 3.727 20 0 DHADLN Cc1cccc(C)c1NS(=O)(=O)c1cccc(Cl)c1F ZINC000048653326 1023802871 /nfs/dbraw/zinc/80/28/71/1023802871.db2.gz NIFCEDHYQUOQQI-UHFFFAOYSA-N 0 2 313.781 3.897 20 0 DHADLN Cc1ccccc1C1(C(=O)NOCc2ccc(F)cc2)CCC1 ZINC000788243533 1023864258 /nfs/dbraw/zinc/86/42/58/1023864258.db2.gz SRSLVZUMMJOPIS-UHFFFAOYSA-N 0 2 313.372 3.804 20 0 DHADLN CCc1ccc(-c2nc(C[N@@H+](CC)[C@H](C)C(=O)[O-])cs2)cc1 ZINC000662214817 1023984498 /nfs/dbraw/zinc/98/44/98/1023984498.db2.gz IAICVGPWPHPGTD-GFCCVEGCSA-N 0 2 318.442 3.668 20 0 DHADLN CCc1ccc(-c2nc(C[N@H+](CC)[C@H](C)C(=O)[O-])cs2)cc1 ZINC000662214817 1023984510 /nfs/dbraw/zinc/98/45/10/1023984510.db2.gz IAICVGPWPHPGTD-GFCCVEGCSA-N 0 2 318.442 3.668 20 0 DHADLN O=C(N[C@H]1CCCc2c(F)cccc21)c1cccc(Cl)c1O ZINC001274434930 1024146862 /nfs/dbraw/zinc/14/68/62/1024146862.db2.gz MDQLPGLWANULFI-HNNXBMFYSA-N 0 2 319.763 3.992 20 0 DHADLN CC(C)S(=O)(=O)Nc1cc(Cl)c(Cl)c(Cl)c1O ZINC001252544435 1033195862 /nfs/dbraw/zinc/19/58/62/1033195862.db2.gz GQGSPCPPBXXACR-UHFFFAOYSA-N 0 2 318.609 3.503 20 0 DHADLN CC(C)c1ccc(SCC(=O)NOCc2cccnc2)cc1 ZINC000269575073 1024290138 /nfs/dbraw/zinc/29/01/38/1024290138.db2.gz VVTJPBPHPRQGQA-UHFFFAOYSA-N 0 2 316.426 3.545 20 0 DHADLN CCC[C@@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)C(C)(C)C ZINC000453189176 1024391264 /nfs/dbraw/zinc/39/12/64/1024391264.db2.gz ASEXTBDEEXFSAR-OAHLLOKOSA-N 0 2 316.449 3.688 20 0 DHADLN Cc1[nH+]ccn1CCN1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000270646830 1024412379 /nfs/dbraw/zinc/41/23/79/1024412379.db2.gz KTGCPPQGIRYACH-INIZCTEOSA-N 0 2 321.877 3.635 20 0 DHADLN CC(C)(C)[C@@H](NC(=O)C(F)C(F)(F)F)c1ccc(F)cc1 ZINC000791325959 1024471236 /nfs/dbraw/zinc/47/12/36/1024471236.db2.gz BGHGKKYCWKJDRT-QWRGUYRKSA-N 0 2 309.278 3.930 20 0 DHADLN CC(C)(C)[C@@H](NC(=O)[C@H](F)C(F)(F)F)c1ccc(F)cc1 ZINC000791325959 1024471238 /nfs/dbraw/zinc/47/12/38/1024471238.db2.gz BGHGKKYCWKJDRT-QWRGUYRKSA-N 0 2 309.278 3.930 20 0 DHADLN CC[C@H](C)n1ncc(NC(=O)c2cccc(Cl)c2O)c1C ZINC000791584888 1024520968 /nfs/dbraw/zinc/52/09/68/1024520968.db2.gz RKCSCHRIPSOQEJ-VIFPVBQESA-N 0 2 307.781 3.774 20 0 DHADLN C[C@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1cncc(F)c1 ZINC000120864309 1025061220 /nfs/dbraw/zinc/06/12/20/1025061220.db2.gz LQGQEJMQPWUZRA-HNAYVOBHSA-N 0 2 313.420 3.708 20 0 DHADLN C[C@H]([NH2+][C@@H](CN1CCCC1)c1ccccc1)c1cncc(F)c1 ZINC000120864018 1025062150 /nfs/dbraw/zinc/06/21/50/1025062150.db2.gz LQGQEJMQPWUZRA-KXBFYZLASA-N 0 2 313.420 3.708 20 0 DHADLN CSCCONC(=O)C1(c2ccccc2C)CCCCC1 ZINC000794192754 1025234250 /nfs/dbraw/zinc/23/42/50/1025234250.db2.gz BTBQQQXYLUVBOP-UHFFFAOYSA-N 0 2 307.459 3.608 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2cccc3cccnc32)c(C)s1 ZINC000028808611 1025330700 /nfs/dbraw/zinc/33/07/00/1025330700.db2.gz FFFIDUNHJOQWSL-UHFFFAOYSA-N 0 2 318.423 3.714 20 0 DHADLN COc1cccc(SC)c1NC(=O)c1ocnc1C(F)F ZINC001129981499 1025498457 /nfs/dbraw/zinc/49/84/57/1025498457.db2.gz BQVCMTFLBPBWGK-UHFFFAOYSA-N 0 2 314.313 3.595 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCCSC[C@@H]1c1ccccc1 ZINC000893742133 1025537805 /nfs/dbraw/zinc/53/78/05/1025537805.db2.gz LIRKQBIJBNWTKH-NEPJUHHUSA-N 0 2 321.339 3.594 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CCCSC[C@@H]1c1ccccc1 ZINC000893742133 1025537818 /nfs/dbraw/zinc/53/78/18/1025537818.db2.gz LIRKQBIJBNWTKH-NEPJUHHUSA-N 0 2 321.339 3.594 20 0 DHADLN CC(=O)c1ccc(C(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000805257962 1025567665 /nfs/dbraw/zinc/56/76/65/1025567665.db2.gz GRBVTCOXZPTCSD-UHFFFAOYSA-N 0 2 307.708 3.640 20 0 DHADLN Cc1ccc([C@@H]2C[C@H]2NC(=O)c2cccc(Cl)c2O)cc1 ZINC001130286389 1025628628 /nfs/dbraw/zinc/62/86/28/1025628628.db2.gz NPNGIEZCGJTDNY-DZGCQCFKSA-N 0 2 301.773 3.640 20 0 DHADLN Cc1cc(C)c2c(c1)N(C(=O)c1cccc(Cl)c1O)CCO2 ZINC001130492017 1025744968 /nfs/dbraw/zinc/74/49/68/1025744968.db2.gz FYUWHMKHYJBVCZ-UHFFFAOYSA-N 0 2 317.772 3.702 20 0 DHADLN Cc1cn2cccc(Nc3cc(Cl)cc(C(=O)[O-])c3)c2[nH+]1 ZINC001211961012 1025841525 /nfs/dbraw/zinc/84/15/25/1025841525.db2.gz SAQPAFMETAMNTP-UHFFFAOYSA-N 0 2 301.733 3.738 20 0 DHADLN Cc1ccc(S(O)=CC(=O)NCCCC2CCCCC2)cc1 ZINC000355929070 1025888620 /nfs/dbraw/zinc/88/86/20/1025888620.db2.gz MDFDDAQDAFDYJX-QFIPXVFZSA-N 0 2 321.486 3.579 20 0 DHADLN FC(F)(F)c1nsc(NC[C@@H](c2ccccc2)C2CC2)n1 ZINC000431510674 1026100208 /nfs/dbraw/zinc/10/02/08/1026100208.db2.gz HNICHTGYYWNTNO-NSHDSACASA-N 0 2 313.348 3.585 20 0 DHADLN O=C(NCc1c(Cl)cccc1Cl)C(F)C(F)(F)F ZINC000810076585 1026673628 /nfs/dbraw/zinc/67/36/28/1026673628.db2.gz JQQLHZNIYVZBSS-QMMMGPOBSA-N 0 2 304.070 3.510 20 0 DHADLN O=C(NCc1c(Cl)cccc1Cl)[C@H](F)C(F)(F)F ZINC000810076585 1026673636 /nfs/dbraw/zinc/67/36/36/1026673636.db2.gz JQQLHZNIYVZBSS-QMMMGPOBSA-N 0 2 304.070 3.510 20 0 DHADLN CC1(c2ccccc2)CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC000810610037 1026806500 /nfs/dbraw/zinc/80/65/00/1026806500.db2.gz OCMQGEGSXLRZOT-OWYJLGKBSA-N 0 2 317.326 3.904 20 0 DHADLN CC1(c2ccccc2)CCC(NC(=O)[C@H](F)C(F)(F)F)CC1 ZINC000810610037 1026806508 /nfs/dbraw/zinc/80/65/08/1026806508.db2.gz OCMQGEGSXLRZOT-OWYJLGKBSA-N 0 2 317.326 3.904 20 0 DHADLN Cc1nc(-c2ccc(Cl)c(O)c2F)cc(C(F)(F)F)n1 ZINC001244631722 1026915599 /nfs/dbraw/zinc/91/55/99/1026915599.db2.gz YOQWEZWZLUEMOE-UHFFFAOYSA-N 0 2 306.646 3.969 20 0 DHADLN CC(C)c1ccc2c(c1)[C@H](NC(=O)C(F)C(F)(F)F)CC2 ZINC000811230610 1026958786 /nfs/dbraw/zinc/95/87/86/1026958786.db2.gz QHWNYWPCUKCCRU-OLZOCXBDSA-N 0 2 303.299 3.814 20 0 DHADLN CC(C)c1ccc2c(c1)[C@H](NC(=O)[C@H](F)C(F)(F)F)CC2 ZINC000811230610 1026958789 /nfs/dbraw/zinc/95/87/89/1026958789.db2.gz QHWNYWPCUKCCRU-OLZOCXBDSA-N 0 2 303.299 3.814 20 0 DHADLN CC[C@@H](NC(=O)c1cccc(Cl)c1O)c1ccccc1OC ZINC001132799218 1026999370 /nfs/dbraw/zinc/99/93/70/1026999370.db2.gz 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1027546137 /nfs/dbraw/zinc/54/61/37/1027546137.db2.gz VFPNHOPXWRLPIS-INIZCTEOSA-N 0 2 312.442 3.878 20 0 DHADLN CCc1ccc2c(c1)CCN2Cc1nc(=O)c2sccc2[nH]1 ZINC000934906712 1028149523 /nfs/dbraw/zinc/14/95/23/1028149523.db2.gz QMJDQQNGPVQVKS-UHFFFAOYSA-N 0 2 311.410 3.522 20 0 DHADLN CC1(C)CN(C(=O)C(F)C(F)(F)F)C[C@@H]1c1ccccc1 ZINC000368150510 1028315045 /nfs/dbraw/zinc/31/50/45/1028315045.db2.gz FVRZMFIWIDGLOA-VXGBXAGGSA-N 0 2 303.299 3.539 20 0 DHADLN CC1(C)CN(C(=O)[C@@H](F)C(F)(F)F)C[C@@H]1c1ccccc1 ZINC000368150510 1028315060 /nfs/dbraw/zinc/31/50/60/1028315060.db2.gz FVRZMFIWIDGLOA-VXGBXAGGSA-N 0 2 303.299 3.539 20 0 DHADLN CCc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)cc1 ZINC000579500932 1028425571 /nfs/dbraw/zinc/42/55/71/1028425571.db2.gz GFNJFSKEXQDNJD-UHFFFAOYSA-N 0 2 324.471 3.804 20 0 DHADLN Cc1cc([C@@H](C)[N@H+](C)Cc2ccc(F)cc2F)oc1C(=O)[O-] ZINC000566358101 1028707360 /nfs/dbraw/zinc/70/73/60/1028707360.db2.gz DSYMMAOFBHZDLU-SNVBAGLBSA-N 0 2 309.312 3.757 20 0 DHADLN 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300.450 3.637 20 0 DHADLN C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1O)C1CCOCC1 ZINC000330852802 1013844207 /nfs/dbraw/zinc/84/42/07/1013844207.db2.gz GCVDHYWXWQLFHC-QMMMGPOBSA-N 0 2 318.200 3.700 20 0 DHADLN Oc1c(Cl)cccc1-c1nc(COc2ccccc2F)no1 ZINC000780366882 1013944856 /nfs/dbraw/zinc/94/48/56/1013944856.db2.gz QJUXMHLBPFVZPX-UHFFFAOYSA-N 0 2 320.707 3.814 20 0 DHADLN O=C(N[C@H]1CCc2cc(F)ccc21)c1cccc(Cl)c1O ZINC001125424912 1014043624 /nfs/dbraw/zinc/04/36/24/1014043624.db2.gz IBVYATXJTVOOIM-AWEZNQCLSA-N 0 2 305.736 3.602 20 0 DHADLN Cc1cc(N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)nc(C2CCC2)[nH+]1 ZINC001605213461 972956316 /nfs/dbraw/zinc/95/63/16/972956316.db2.gz LCFRTSTVZVFZDA-KWCYVHTRSA-N 0 2 317.433 3.600 20 0 DHADLN Cc1oc(C[N@@H+](C)Cc2ccc(F)cc2Cl)cc1C(=O)[O-] ZINC000573855514 974772096 /nfs/dbraw/zinc/77/20/96/974772096.db2.gz KCZMXSFAGCTWDA-UHFFFAOYSA-N 0 2 311.740 3.711 20 0 DHADLN Cc1oc(C[N@H+](C)Cc2ccc(F)cc2Cl)cc1C(=O)[O-] ZINC000573855514 974772103 /nfs/dbraw/zinc/77/21/03/974772103.db2.gz KCZMXSFAGCTWDA-UHFFFAOYSA-N 0 2 311.740 3.711 20 0 DHADLN Cc1cc([C@H](C)[N@@H+]2CCc3c(F)cc(F)cc3C2)oc1C(=O)[O-] ZINC000652434848 975530768 /nfs/dbraw/zinc/53/07/68/975530768.db2.gz GIZJOXIPPLLFDA-JTQLQIEISA-N 0 2 321.323 3.684 20 0 DHADLN Cc1cc([C@H](C)[N@H+]2CCc3c(F)cc(F)cc3C2)oc1C(=O)[O-] ZINC000652434848 975530775 /nfs/dbraw/zinc/53/07/75/975530775.db2.gz GIZJOXIPPLLFDA-JTQLQIEISA-N 0 2 321.323 3.684 20 0 DHADLN C[C@H]1CCN(C(=O)c2cc(F)c(O)c(F)c2)[C@H](c2ccco2)C1 ZINC000180102950 1014266574 /nfs/dbraw/zinc/26/65/74/1014266574.db2.gz NGUDZNRHCKYCBN-HZMBPMFUSA-N 0 2 321.323 3.877 20 0 DHADLN C[C@@H]1CCN(C(=O)c2cc(F)c(O)c(F)c2)[C@H](c2ccco2)C1 ZINC000180102931 1014268067 /nfs/dbraw/zinc/26/80/67/1014268067.db2.gz NGUDZNRHCKYCBN-YGRLFVJLSA-N 0 2 321.323 3.877 20 0 DHADLN CC(C)c1cc(N2CCC[C@@H](CCC(=O)[O-])C2)nc(C(C)C)[nH+]1 ZINC000662888220 975910754 /nfs/dbraw/zinc/91/07/54/975910754.db2.gz YCJVZYGCPBXTNW-AWEZNQCLSA-N 0 2 319.449 3.805 20 0 DHADLN CC(C)c1cc(NC[C@H](CC2CC2)C(=O)[O-])nc(C(C)C)[nH+]1 ZINC001591936402 976459570 /nfs/dbraw/zinc/45/95/70/976459570.db2.gz WTVZGLVGRYDEDC-ZDUSSCGKSA-N 0 2 305.422 3.636 20 0 DHADLN CC(C)c1cnc(C[N@@H+]2CCc3cc(C(=O)[O-])ccc3C2)s1 ZINC001592002741 976654352 /nfs/dbraw/zinc/65/43/52/976654352.db2.gz FTCJKSZGEUQKGQ-UHFFFAOYSA-N 0 2 316.426 3.523 20 0 DHADLN CC(C)c1cnc(C[N@H+]2CCc3cc(C(=O)[O-])ccc3C2)s1 ZINC001592002741 976654356 /nfs/dbraw/zinc/65/43/56/976654356.db2.gz FTCJKSZGEUQKGQ-UHFFFAOYSA-N 0 2 316.426 3.523 20 0 DHADLN CC[C@H]([NH2+][C@H](C)c1nc(C(=O)[O-])co1)c1ccc(C)c(F)c1 ZINC001595281383 980333675 /nfs/dbraw/zinc/33/36/75/980333675.db2.gz NHQWLSIZCPLVTE-MFKMUULPSA-N 0 2 306.337 3.622 20 0 DHADLN CC(C)(C)C(F)(F)C[NH2+]Cc1ccnc2c(C(=O)[O-])cccc12 ZINC000902471126 980902003 /nfs/dbraw/zinc/90/20/03/980902003.db2.gz XYDVCVCYOYOOTE-UHFFFAOYSA-N 0 2 322.355 3.704 20 0 DHADLN FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000276261671 1014906961 /nfs/dbraw/zinc/90/69/61/1014906961.db2.gz PZOIWEKZINOLOE-HZSPNIEDSA-N 0 2 324.350 3.605 20 0 DHADLN CC(C)c1ccc(SCC(=O)NOCc2ccccn2)cc1 ZINC000909525566 1015231427 /nfs/dbraw/zinc/23/14/27/1015231427.db2.gz GWGICYZNEHTIKT-UHFFFAOYSA-N 0 2 316.426 3.545 20 0 DHADLN C[C@H]1c2cc(F)cc(F)c2CC[N@H+]1Cc1ccc(C(=O)[O-])s1 ZINC001594665709 986960113 /nfs/dbraw/zinc/96/01/13/986960113.db2.gz JVZHBXFEUXXPOY-VIFPVBQESA-N 0 2 323.364 3.844 20 0 DHADLN C[C@H]1c2cc(F)cc(F)c2CC[N@@H+]1Cc1ccc(C(=O)[O-])s1 ZINC001594665709 986960126 /nfs/dbraw/zinc/96/01/26/986960126.db2.gz JVZHBXFEUXXPOY-VIFPVBQESA-N 0 2 323.364 3.844 20 0 DHADLN CCn1c2ccccc2nc1[C@@H](C)Nc1ccc(C)c(C(=O)[O-])[nH+]1 ZINC001597839710 989531660 /nfs/dbraw/zinc/53/16/60/989531660.db2.gz HPAUPUKOIYUECM-GFCCVEGCSA-N 0 2 324.384 3.631 20 0 DHADLN CC(C)[C@@H]([NH2+][C@@H](C(=O)[O-])c1ccsc1)c1ccccc1F ZINC001591024050 991310880 /nfs/dbraw/zinc/31/08/80/991310880.db2.gz HKBZIZZFFLGCCI-HUUCEWRRSA-N 0 2 307.390 4.000 20 0 DHADLN COCCC1(c2noc(-c3cccc(Cl)c3O)n2)CCCC1 ZINC000896629325 1015687296 /nfs/dbraw/zinc/68/72/96/1015687296.db2.gz ZULQKQABCAXORV-UHFFFAOYSA-N 0 2 322.792 3.944 20 0 DHADLN CC(C)COc1ccccc1C[NH2+][C@H](C(=O)[O-])c1ccsc1 ZINC001591410119 992487044 /nfs/dbraw/zinc/48/70/44/992487044.db2.gz SAYIJTWPXFASFV-INIZCTEOSA-N 0 2 319.426 3.698 20 0 DHADLN Cc1ccc(S(O)=CC(=O)N[C@@H](C)CCCC(C)C)cc1C ZINC000341782509 1015732139 /nfs/dbraw/zinc/73/21/39/1015732139.db2.gz ROPBQFMFBJCHBZ-KSFYIVLOSA-N 0 2 323.502 3.742 20 0 DHADLN O=[N+]([O-])c1ccc(O)c(/C=N/CCc2cccc(Cl)c2)c1 ZINC000022768798 1015820295 /nfs/dbraw/zinc/82/02/95/1015820295.db2.gz BCSKFAIIFADKAC-LICLKQGHSA-N 0 2 304.733 3.615 20 0 DHADLN C[C@H]([NH2+]C1(c2ccccc2F)CCC1)c1ncc(C(=O)[O-])s1 ZINC001593209862 994241064 /nfs/dbraw/zinc/24/10/64/994241064.db2.gz MOOZTLCNWRSZPM-JTQLQIEISA-N 0 2 320.389 3.710 20 0 DHADLN CC(C)[C@@H](C(=O)NO[C@@H]1CCCCO1)c1cccc(Cl)c1 ZINC000176323294 1016011750 /nfs/dbraw/zinc/01/17/50/1016011750.db2.gz WGRWEQMPPCBFAT-HUUCEWRRSA-N 0 2 311.809 3.654 20 0 DHADLN C[C@H](c1ccco1)[N@H+]([C@H](C)c1ncc(C(=O)[O-])s1)C1CC1 ZINC001593719554 996243775 /nfs/dbraw/zinc/24/37/75/996243775.db2.gz OUSPTOCOZXEFBJ-NXEZZACHSA-N 0 2 306.387 3.721 20 0 DHADLN C[C@H](c1ccco1)[N@@H+]([C@H](C)c1ncc(C(=O)[O-])s1)C1CC1 ZINC001593719554 996243783 /nfs/dbraw/zinc/24/37/83/996243783.db2.gz OUSPTOCOZXEFBJ-NXEZZACHSA-N 0 2 306.387 3.721 20 0 DHADLN C[C@@H](c1cccs1)[N@H+](C)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001593723066 996254286 /nfs/dbraw/zinc/25/42/86/996254286.db2.gz HAYRMUKMPKSEQC-JTQLQIEISA-N 0 2 315.398 3.516 20 0 DHADLN C[C@@H](c1cccs1)[N@@H+](C)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001593723066 996254289 /nfs/dbraw/zinc/25/42/89/996254289.db2.gz HAYRMUKMPKSEQC-JTQLQIEISA-N 0 2 315.398 3.516 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@@H]1c1ccccc1Cl ZINC000277387408 1016268153 /nfs/dbraw/zinc/26/81/53/1016268153.db2.gz KCJPUBKELPFGAG-MNOVXSKESA-N 0 2 309.690 3.904 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CCC[C@@H]1c1ccccc1Cl ZINC000277387408 1016268168 /nfs/dbraw/zinc/26/81/68/1016268168.db2.gz KCJPUBKELPFGAG-MNOVXSKESA-N 0 2 309.690 3.904 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC(Cc2cccc(F)c2)CC1 ZINC000277472398 1016359537 /nfs/dbraw/zinc/35/95/37/1016359537.db2.gz PVJLSLSPDCCUIR-ZDUSSCGKSA-N 0 2 321.289 3.507 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CCC(Cc2cccc(F)c2)CC1 ZINC000277472398 1016359543 /nfs/dbraw/zinc/35/95/43/1016359543.db2.gz PVJLSLSPDCCUIR-ZDUSSCGKSA-N 0 2 321.289 3.507 20 0 DHADLN Cc1cc(C)nc(NC(=O)c2cccc(C(F)(F)F)c2O)c1 ZINC000622455313 1016413005 /nfs/dbraw/zinc/41/30/05/1016413005.db2.gz NGCIIQMUBZVTLN-UHFFFAOYSA-N 0 2 310.275 3.675 20 0 DHADLN c1cn(Cc2cccc(CNc3cc[nH+]c4ccccc34)c2)c[nH+]1 ZINC000346595025 1016460646 /nfs/dbraw/zinc/46/06/46/1016460646.db2.gz QZUWKAGSWPVYHM-UHFFFAOYSA-N 0 2 314.392 3.514 20 0 DHADLN CSc1ccccc1S(=O)(=O)Nc1ncccc1C(C)C ZINC000444059313 1016592921 /nfs/dbraw/zinc/59/29/21/1016592921.db2.gz QXVIZXWNDABINL-UHFFFAOYSA-N 0 2 322.455 3.728 20 0 DHADLN CC[N@H+](C)[C@@H](C(=O)Nc1cccc(Cl)c1O)c1ccccc1 ZINC000172109307 1016643235 /nfs/dbraw/zinc/64/32/35/1016643235.db2.gz JECDFSDEZCGIDH-OAHLLOKOSA-N 0 2 318.804 3.677 20 0 DHADLN CC[N@H+](C)[C@@H](C(=O)Nc1cccc(Cl)c1[O-])c1ccccc1 ZINC000172109307 1016643247 /nfs/dbraw/zinc/64/32/47/1016643247.db2.gz JECDFSDEZCGIDH-OAHLLOKOSA-N 0 2 318.804 3.677 20 0 DHADLN CC[N@@H+](C)[C@@H](C(=O)Nc1cccc(Cl)c1[O-])c1ccccc1 ZINC000172109307 1016643250 /nfs/dbraw/zinc/64/32/50/1016643250.db2.gz JECDFSDEZCGIDH-OAHLLOKOSA-N 0 2 318.804 3.677 20 0 DHADLN Cc1[nH+]ccn1CC[N@@H+](Cc1c(F)cccc1F)C1CCCC1 ZINC000342613728 1016860382 /nfs/dbraw/zinc/86/03/82/1016860382.db2.gz JAGDOYVKWALKNF-UHFFFAOYSA-N 0 2 319.399 3.915 20 0 DHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(F)cc2C)cc1F ZINC000121446619 1032445624 /nfs/dbraw/zinc/44/56/24/1032445624.db2.gz ZDTAFZYDUXEFLD-UHFFFAOYSA-N 0 2 315.316 3.522 20 0 DHADLN O=C([O-])c1c(-c2cccc(Cl)c2Cl)[nH+]c2n1CCCC2 ZINC000579734353 1012000549 /nfs/dbraw/zinc/00/05/49/1012000549.db2.gz LRUMBMAINNLXDL-UHFFFAOYSA-N 0 2 311.168 3.891 20 0 DHADLN CCC[C@@](C)(CC)C(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000655050029 1012330348 /nfs/dbraw/zinc/33/03/48/1012330348.db2.gz RCHFITHVLNWDEI-QGZVFWFLSA-N 0 2 316.405 3.641 20 0 DHADLN O=C(c1cccc(Cl)c1O)N(CC(F)F)c1ccccc1 ZINC001126800524 1032682999 /nfs/dbraw/zinc/68/29/99/1032682999.db2.gz UVMKJRXPWBQXKQ-UHFFFAOYSA-N 0 2 311.715 3.958 20 0 DHADLN O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2[nH]nnc2c1 ZINC000029107579 1017453344 /nfs/dbraw/zinc/45/33/44/1017453344.db2.gz AKRDRFFHPHJDBD-UHFFFAOYSA-N 0 2 307.140 3.517 20 0 DHADLN O=C(NCC1(c2ccccc2)CCCC1)C(F)C(F)(F)F ZINC000764009366 1017708135 /nfs/dbraw/zinc/70/81/35/1017708135.db2.gz JNEMELFNBQTENX-GFCCVEGCSA-N 0 2 303.299 3.515 20 0 DHADLN O=C(NCC1(c2ccccc2)CCCC1)[C@@H](F)C(F)(F)F ZINC000764009366 1017708146 /nfs/dbraw/zinc/70/81/46/1017708146.db2.gz JNEMELFNBQTENX-GFCCVEGCSA-N 0 2 303.299 3.515 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2nccc3sccc32)cc1C ZINC000182021982 1017851042 /nfs/dbraw/zinc/85/10/42/1017851042.db2.gz MEXGVXQMWYEKTA-UHFFFAOYSA-N 0 2 318.423 3.714 20 0 DHADLN C[C@@H]1CCN(C(=O)c2c(O)cc(F)cc2F)[C@@H]2CCCC[C@H]12 ZINC000674138330 1017868353 /nfs/dbraw/zinc/86/83/53/1017868353.db2.gz ZHCHEXCWGDGUFK-MPKXVKKWSA-N 0 2 309.356 3.711 20 0 DHADLN CC(C)(CNC(=O)c1c(O)cc(F)cc1F)c1ccccc1F ZINC000624256045 1017945404 /nfs/dbraw/zinc/94/54/04/1017945404.db2.gz CMGWUSYGMXFPIK-UHFFFAOYSA-N 0 2 323.314 3.517 20 0 DHADLN Cc1ccccc1S(=O)(=O)Nc1ccnn1[C@H](C)CC(C)C ZINC000524297607 1017951298 /nfs/dbraw/zinc/95/12/98/1017951298.db2.gz LRXIHAMQYAJCTL-CQSZACIVSA-N 0 2 321.446 3.599 20 0 DHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1cccc(Cl)n1 ZINC000701115767 1017997249 /nfs/dbraw/zinc/99/72/49/1017997249.db2.gz VRYWNAVRJARMAU-UHFFFAOYSA-N 0 2 317.559 4.000 20 0 DHADLN C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000184194549 1018064758 /nfs/dbraw/zinc/06/47/58/1018064758.db2.gz OFSIZVBYKIHNEP-ZYHUDNBSSA-N 0 2 323.380 3.644 20 0 DHADLN CC1(C)CN(Cc2nc(=O)c3sccc3[nH]2)c2ccccc21 ZINC000675127003 1018264300 /nfs/dbraw/zinc/26/43/00/1018264300.db2.gz XQJGVSSBGJPJCS-UHFFFAOYSA-N 0 2 311.410 3.695 20 0 DHADLN CC(C)N(Cc1cccc(Cl)c1)C(=O)C(F)C(F)(F)F ZINC000764508120 1018299622 /nfs/dbraw/zinc/29/96/22/1018299622.db2.gz PNWGDLHBCWRYOW-LLVKDONJSA-N 0 2 311.706 3.977 20 0 DHADLN CC(C)N(Cc1cccc(Cl)c1)C(=O)[C@@H](F)C(F)(F)F ZINC000764508120 1018299628 /nfs/dbraw/zinc/29/96/28/1018299628.db2.gz PNWGDLHBCWRYOW-LLVKDONJSA-N 0 2 311.706 3.977 20 0 DHADLN O=C(OCc1ccc(C(F)F)cc1)c1cc(F)c(O)c(F)c1 ZINC000764554960 1018315550 /nfs/dbraw/zinc/31/55/50/1018315550.db2.gz UFIXXWZTMYKJEH-UHFFFAOYSA-N 0 2 314.234 3.965 20 0 DHADLN O=C(NC1(Cc2ccccc2)CCCC1)C(F)C(F)(F)F ZINC000764662014 1018339078 /nfs/dbraw/zinc/33/90/78/1018339078.db2.gz ZTTXMUUJKNKQNF-LBPRGKRZSA-N 0 2 303.299 3.559 20 0 DHADLN O=C(NC1(Cc2ccccc2)CCCC1)[C@H](F)C(F)(F)F ZINC000764662014 1018339094 /nfs/dbraw/zinc/33/90/94/1018339094.db2.gz ZTTXMUUJKNKQNF-LBPRGKRZSA-N 0 2 303.299 3.559 20 0 DHADLN Cc1cc(C)cc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000007056377 1019001529 /nfs/dbraw/zinc/00/15/29/1019001529.db2.gz FNWVECBHPPUGCG-UHFFFAOYSA-N 0 2 315.316 3.522 20 0 DHADLN CCC[N@H+](CC(=O)[O-])Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC000923231062 1019078397 /nfs/dbraw/zinc/07/83/97/1019078397.db2.gz NLADNAUNEJKDEJ-UHFFFAOYSA-N 0 2 324.490 3.690 20 0 DHADLN CCC[N@@H+](CC(=O)[O-])Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC000923231062 1019078411 /nfs/dbraw/zinc/07/84/11/1019078411.db2.gz NLADNAUNEJKDEJ-UHFFFAOYSA-N 0 2 324.490 3.690 20 0 DHADLN CCN(Cc1ccccc1C)C(=O)c1c(O)cc(F)cc1F ZINC000066044363 1019479018 /nfs/dbraw/zinc/47/90/18/1019479018.db2.gz UDFQCTNHQRMLSH-UHFFFAOYSA-N 0 2 305.324 3.641 20 0 DHADLN O=C(N=c1ccc(C2CC2)n[nH]1)N1CCCC[C@@H]1c1ccccc1 ZINC000514897734 1019585747 /nfs/dbraw/zinc/58/57/47/1019585747.db2.gz ZDNSLFVDOXWJFB-QGZVFWFLSA-N 0 2 322.412 3.535 20 0 DHADLN CC(C)(CNC(=O)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000727175249 1019658088 /nfs/dbraw/zinc/65/80/88/1019658088.db2.gz OYIDRSIVMMFHQC-UHFFFAOYSA-N 0 2 313.241 3.662 20 0 DHADLN CC(C)N1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000068967941 1019939804 /nfs/dbraw/zinc/93/98/04/1019939804.db2.gz DUEGXWLYRWGOQA-UHFFFAOYSA-N 0 2 312.457 3.635 20 0 DHADLN CCCOCc1ccccc1CN=c1nc(C(C)(C)C)[nH]s1 ZINC000477547442 1032865424 /nfs/dbraw/zinc/86/54/24/1032865424.db2.gz CQARNYIJVINDGI-UHFFFAOYSA-N 0 2 319.474 3.796 20 0 DHADLN Cc1ccc(-c2n[nH]c(NC(=O)c3cccc(C)c3O)c2C)o1 ZINC000161534737 1020684896 /nfs/dbraw/zinc/68/48/96/1020684896.db2.gz TUDKENOIHONDMT-UHFFFAOYSA-N 0 2 311.341 3.553 20 0 DHADLN C[C@@H](CC(=O)Nc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCO1 ZINC000613182352 1020845629 /nfs/dbraw/zinc/84/56/29/1020845629.db2.gz JFIULJBZZAWZNQ-UFBFGSQYSA-N 0 2 318.200 3.843 20 0 DHADLN CC[C@H](NC(=O)c1cc(F)c(O)c(F)c1)c1ccc(OC)cc1 ZINC000176969106 1021185150 /nfs/dbraw/zinc/18/51/50/1021185150.db2.gz GWZOQVCJEQJRKX-HNNXBMFYSA-N 0 2 321.323 3.560 20 0 DHADLN FC(F)(F)c1cnc(-c2nc(-c3ccc(Cl)cc3)no2)[nH]1 ZINC001212689936 1033461151 /nfs/dbraw/zinc/46/11/51/1033461151.db2.gz UOAXADOHKZZRON-UHFFFAOYSA-N 0 2 314.654 3.799 20 0 DHADLN O=C(CSc1ccc2c(c1)CCC2)NOCc1ccccc1 ZINC000069626480 1021270629 /nfs/dbraw/zinc/27/06/29/1021270629.db2.gz GJQAQHYTUWOXMD-UHFFFAOYSA-N 0 2 313.422 3.515 20 0 DHADLN Cc1ccc(S(O)=CC(=O)NC2CCCCCCC2)cc1C ZINC000107961667 1021356220 /nfs/dbraw/zinc/35/62/20/1021356220.db2.gz SHXNRMYXPUVKKA-QFIPXVFZSA-N 0 2 321.486 3.640 20 0 DHADLN Cc1ccccc1[C@H]1C[C@H]([NH2+][C@H](c2cccs2)c2nnc[nH]2)C1 ZINC000556178862 1021589956 /nfs/dbraw/zinc/58/99/56/1021589956.db2.gz KEXQBGCQCZCMDZ-CKEIUWERSA-N 0 2 324.453 3.800 20 0 DHADLN CCS(=O)(=O)Nc1nc(-c2ccccc2)c(C(C)C)s1 ZINC000129982501 1021592269 /nfs/dbraw/zinc/59/22/69/1021592269.db2.gz QTXSGTYNPSFSII-UHFFFAOYSA-N 0 2 310.444 3.695 20 0 DHADLN Cc1cccc2c(=O)c(C(=O)N3CCC[C@H]4CCC[C@@H]43)c[nH]c12 ZINC000164121285 1022171608 /nfs/dbraw/zinc/17/16/08/1022171608.db2.gz SRABCIWMDKDVAY-CJNGLKHVSA-N 0 2 310.397 3.654 20 0 DHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)C1CCSCC1 ZINC000273610599 1022544090 /nfs/dbraw/zinc/54/40/90/1022544090.db2.gz LTVHVZSXXYXNPF-UHFFFAOYSA-N 0 2 306.214 3.781 20 0 DHADLN CC(=O)c1ccccc1NS(=O)(=O)c1cccc(C)c1Cl ZINC000179954823 1022594355 /nfs/dbraw/zinc/59/43/55/1022594355.db2.gz YLVLFFIWPJNYFL-UHFFFAOYSA-N 0 2 323.801 3.652 20 0 DHADLN Cc1cccc(C)c1[C@@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC000855215344 1022600729 /nfs/dbraw/zinc/60/07/29/1022600729.db2.gz UYMYWYJROKGEOI-AAEUAGOBSA-N 0 2 303.299 3.867 20 0 DHADLN Cc1cccc(C)c1[C@@H]1CCCN1C(=O)[C@H](F)C(F)(F)F ZINC000855215344 1022600738 /nfs/dbraw/zinc/60/07/38/1022600738.db2.gz UYMYWYJROKGEOI-AAEUAGOBSA-N 0 2 303.299 3.867 20 0 DHADLN O=C(Nc1cnc(Cl)cc1Cl)c1cccc(Cl)c1O ZINC001129367560 1022723472 /nfs/dbraw/zinc/72/34/72/1022723472.db2.gz PHVZYOBSUWGGAZ-UHFFFAOYSA-N 0 2 317.559 4.000 20 0 DHADLN Cc1csc(NS(=O)(=O)/C=C/c2cccc(Cl)c2)n1 ZINC000184187633 1022762531 /nfs/dbraw/zinc/76/25/31/1022762531.db2.gz AJYUAHXFDXAVNO-AATRIKPKSA-N 0 2 314.819 3.518 20 0 DHADLN 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COc1ccc([C@@H]2C[C@@H](C)CN2C(=O)[C@H](F)C(F)(F)F)cc1 ZINC000368158279 1028314903 /nfs/dbraw/zinc/31/49/03/1028314903.db2.gz JWUGHZSMJNISBC-ICCXJUOJSA-N 0 2 319.298 3.505 20 0 DHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCC[C@@H]1c1cccnc1 ZINC000368557599 1028373888 /nfs/dbraw/zinc/37/38/88/1028373888.db2.gz RAKARJIOADMRLG-CQSZACIVSA-N 0 2 320.751 3.557 20 0 DHADLN O=C(N[C@@H](c1cc2ccccc2o1)c1cccnc1)C(F)(F)F ZINC000369170829 1028456446 /nfs/dbraw/zinc/45/64/46/1028456446.db2.gz XAVHJECXZXWZDZ-CQSZACIVSA-N 0 2 320.270 3.596 20 0 DHADLN CCN(C(=O)C(F)C(F)(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000815557528 1028542757 /nfs/dbraw/zinc/54/27/57/1028542757.db2.gz WYLQMLSADUHEPC-KIPDHUPVSA-N 0 2 307.331 3.704 20 0 DHADLN CCN(C(=O)[C@@H](F)C(F)(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000815557528 1028542769 /nfs/dbraw/zinc/54/27/69/1028542769.db2.gz WYLQMLSADUHEPC-KIPDHUPVSA-N 0 2 307.331 3.704 20 0 DHADLN COc1cc(C2(C(=O)NOCCC3CC3)CCCC2)ccc1C ZINC000817430237 1029164554 /nfs/dbraw/zinc/16/45/54/1029164554.db2.gz 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CCC[C@H](C(=O)NO[C@H]1CCCCO1)c1ccc(Cl)cc1 ZINC000825027481 1030704940 /nfs/dbraw/zinc/70/49/40/1030704940.db2.gz YOORNNYIBMOBNL-GJZGRUSLSA-N 0 2 311.809 3.798 20 0 DHADLN CC(F)(F)C(=O)N[C@@H](c1c[nH]c2cccc(F)c21)C(F)(F)F ZINC000844039498 1030938351 /nfs/dbraw/zinc/93/83/51/1030938351.db2.gz UHPVPOHKAFHPIA-JTQLQIEISA-N 0 2 324.224 3.682 20 0 DHADLN O=C(CC1CC1)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000361353352 1031882654 /nfs/dbraw/zinc/88/26/54/1031882654.db2.gz HIPFTHMIHSNNRW-UHFFFAOYSA-N 0 2 311.172 3.517 20 0 DHADLN CSc1ccc(C)c(NS(=O)(=O)c2sccc2C)c1 ZINC000539399989 1033344671 /nfs/dbraw/zinc/34/46/71/1033344671.db2.gz PFVXAHSFPBOBLT-UHFFFAOYSA-N 0 2 313.469 3.888 20 0 DHADLN CC[C@@H](c1ccncc1)N(C)C(=O)c1cc(F)cc(Cl)c1O ZINC000152883217 1033547042 /nfs/dbraw/zinc/54/70/42/1033547042.db2.gz ZMXXUUFAQLFMIW-AWEZNQCLSA-N 0 2 322.767 3.803 20 0 DHADLN Cc1nocc1Nc1cc(-c2cccc(Br)n2)no1 ZINC001212720479 1033687802 /nfs/dbraw/zinc/68/78/02/1033687802.db2.gz MJZYZSGAURHKHY-UHFFFAOYSA-N 0 2 321.134 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ZINC000775765256 1036722020 /nfs/dbraw/zinc/72/20/20/1036722020.db2.gz YPXWKAZTDZDZMQ-JTQLQIEISA-N 0 2 301.839 3.649 20 0 DHADLN O=C(c1cccc(Cl)c1O)N1CCc2c(F)ccc(F)c2C1 ZINC000775773248 1036769350 /nfs/dbraw/zinc/76/93/50/1036769350.db2.gz VSXKCFNGECBIIH-UHFFFAOYSA-N 0 2 323.726 3.522 20 0 DHADLN Cc1cccc([C@@H]2CCCN2C(=O)c2cccc(Cl)c2O)n1 ZINC000775780456 1036833497 /nfs/dbraw/zinc/83/34/97/1036833497.db2.gz LUWPTMWONQJGBQ-HNNXBMFYSA-N 0 2 316.788 3.726 20 0 DHADLN C[C@]12C[C@@H]3C[C@](C(=O)Nc4ccc5nn[nH]c5c4)(C1)C[C@@](C)(C3)C2 ZINC001184499046 1036868859 /nfs/dbraw/zinc/86/88/59/1036868859.db2.gz TVMWGWPNHDSJNZ-BWEKPBJLSA-N 0 2 324.428 3.893 20 0 DHADLN Cc1nc2cc(NC(=O)c3cc(F)c(O)c(F)c3)ccc2s1 ZINC000762663555 1036902945 /nfs/dbraw/zinc/90/29/45/1036902945.db2.gz YNNFZBIWZJECQS-UHFFFAOYSA-N 0 2 320.320 3.841 20 0 DHADLN C[C@H]1CCC[N@H+](Cc2csc(-c3ccsc3)n2)[C@@H]1C(=O)[O-] ZINC000235712658 1036921164 /nfs/dbraw/zinc/92/11/64/1036921164.db2.gz HOIAEWDLXFMQMR-GWCFXTLKSA-N 0 2 322.455 3.557 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VURQHAPHRAIEOU-IHWYPQMZSA-N 0 2 312.369 3.540 20 0 DHADLN O=S(=O)(Nc1cccc(C(F)F)c1)C(Cl)(Cl)Cl ZINC001192031596 1038581510 /nfs/dbraw/zinc/58/15/10/1038581510.db2.gz CKFAZRDZOHTHQC-UHFFFAOYSA-N 0 2 324.563 3.694 20 0 DHADLN CC(C)C[C@H](NC(=O)c1ccc(O)c(F)c1F)c1ccccn1 ZINC001192848270 1038707859 /nfs/dbraw/zinc/70/78/59/1038707859.db2.gz CZYBKXFTQKFBQO-ZDUSSCGKSA-N 0 2 320.339 3.583 20 0 DHADLN Cc1cccc([C@@H](C)NC(=O)c2cc(F)c(O)cc2F)c1C ZINC001192888294 1038711892 /nfs/dbraw/zinc/71/18/92/1038711892.db2.gz UYOFXFBVPSFUFU-LLVKDONJSA-N 0 2 305.324 3.778 20 0 DHADLN CCCCc1ccccc1NS(=O)(=O)c1cnccc1Cl ZINC001192896858 1038712419 /nfs/dbraw/zinc/71/24/19/1038712419.db2.gz DFLVNRFXLMAPRP-UHFFFAOYSA-N 0 2 324.833 3.878 20 0 DHADLN CCC1(NC(=O)c2cc(F)c(O)cc2F)CCC(F)(F)CC1 ZINC001192887389 1038712882 /nfs/dbraw/zinc/71/28/82/1038712882.db2.gz HGMAWBBBQMBXSP-UHFFFAOYSA-N 0 2 319.298 3.758 20 0 DHADLN CCCCCC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000599727462 1039276705 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ZINC000277658887 1016859719 /nfs/dbraw/zinc/85/97/19/1016859719.db2.gz LLTWSDRBRXFXSV-JFUSQASVSA-N 0 2 307.262 3.636 20 0 DHADLN C[C@@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)[C@@H]1c1cccc(F)c1 ZINC000277658887 1016859746 /nfs/dbraw/zinc/85/97/46/1016859746.db2.gz LLTWSDRBRXFXSV-JFUSQASVSA-N 0 2 307.262 3.636 20 0 DHADLN O=C(NOCC1CCC1)C1(c2cc(F)cc(F)c2)CCCC1 ZINC001148108078 1032363845 /nfs/dbraw/zinc/36/38/45/1032363845.db2.gz ZHQQGPKCSGSJKH-UHFFFAOYSA-N 0 2 309.356 3.625 20 0 DHADLN CC[C@H](C(=O)Nc1ccc2nn[nH]c2c1)C1CCC(C)CC1 ZINC001149025825 1032458265 /nfs/dbraw/zinc/45/82/65/1032458265.db2.gz NSHICICFLLHQNV-YIZWMMSDSA-N 0 2 300.406 3.749 20 0 DHADLN CC[C@@H](/N=C/c1cc([N+](=O)[O-])ccc1O)c1nc2ccccc2[nH]1 ZINC000066255620 1012440198 /nfs/dbraw/zinc/44/01/98/1012440198.db2.gz JAZNDKNBPAXEOG-HVOBPNNYSA-N 0 2 324.340 3.747 20 0 DHADLN Cc1cccc(CCC(=O)N=c2nc(-c3ccccc3)[nH]s2)c1 ZINC000515704942 1012703165 /nfs/dbraw/zinc/70/31/65/1012703165.db2.gz FQPHWABOWPYLQN-UHFFFAOYSA-N 0 2 323.421 3.507 20 0 DHADLN C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)C(F)(F)F ZINC000760020655 1012826547 /nfs/dbraw/zinc/82/65/47/1012826547.db2.gz OFKJLVBYHJJQIC-LURJTMIESA-N 0 2 300.107 3.603 20 0 DHADLN O=C([O-])C[C@@H]1CCCN1c1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000516773848 1012830318 /nfs/dbraw/zinc/83/03/18/1012830318.db2.gz ASUZSWKRCZZCFC-LBPRGKRZSA-N 0 2 324.302 3.697 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000290444853 1012909457 /nfs/dbraw/zinc/90/94/57/1012909457.db2.gz SDEHZEJXMYDGEN-NEPJUHHUSA-N 0 2 307.262 3.780 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CCCC[C@@H]1c1ccc(F)cc1 ZINC000290444853 1012909465 /nfs/dbraw/zinc/90/94/65/1012909465.db2.gz SDEHZEJXMYDGEN-NEPJUHHUSA-N 0 2 307.262 3.780 20 0 DHADLN CSc1ccc([C@@H](C)NC(=O)c2c(O)cc(F)cc2F)cc1 ZINC000684994765 1017205158 /nfs/dbraw/zinc/20/51/58/1017205158.db2.gz APYUAHANDFUZSX-SECBINFHSA-N 0 2 323.364 3.883 20 0 DHADLN CC(C)CN(C(=O)N=c1nc(C(C)(C)C)[nH]s1)C1CCCC1 ZINC000444379689 1017341127 /nfs/dbraw/zinc/34/11/27/1017341127.db2.gz BESRLWBJZOUKBV-UHFFFAOYSA-N 0 2 324.494 3.690 20 0 DHADLN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)C(F)C(F)(F)F ZINC000763995087 1017617290 /nfs/dbraw/zinc/61/72/90/1017617290.db2.gz KPIMKRUNYZGWDQ-WDEREUQCSA-N 0 2 309.690 3.808 20 0 DHADLN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)[C@@H](F)C(F)(F)F ZINC000763995087 1017617295 /nfs/dbraw/zinc/61/72/95/1017617295.db2.gz KPIMKRUNYZGWDQ-WDEREUQCSA-N 0 2 309.690 3.808 20 0 DHADLN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)C(F)C(F)(F)F ZINC000763995082 1017618703 /nfs/dbraw/zinc/61/87/03/1017618703.db2.gz KPIMKRUNYZGWDQ-QWRGUYRKSA-N 0 2 309.690 3.808 20 0 DHADLN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)[C@H](F)C(F)(F)F ZINC000763995082 1017618710 /nfs/dbraw/zinc/61/87/10/1017618710.db2.gz KPIMKRUNYZGWDQ-QWRGUYRKSA-N 0 2 309.690 3.808 20 0 DHADLN C[C@H](C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1)C1CCCC1 ZINC000674137198 1017866955 /nfs/dbraw/zinc/86/69/55/1017866955.db2.gz URBLLVVNXXYXIF-VIFPVBQESA-N 0 2 320.343 3.515 20 0 DHADLN CCCc1cnc(NS(=O)(=O)c2ccc(Cl)s2)s1 ZINC000183196504 1018001713 /nfs/dbraw/zinc/00/17/13/1018001713.db2.gz BIZZUUPUGKERLG-UHFFFAOYSA-N 0 2 322.864 3.611 20 0 DHADLN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(F)C(F)(F)F ZINC000764310310 1018237545 /nfs/dbraw/zinc/23/75/45/1018237545.db2.gz JRBDAPIDMHDJFR-ONGXEEELSA-N 0 2 307.287 3.618 20 0 DHADLN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H](F)C(F)(F)F ZINC000764310310 1018237555 /nfs/dbraw/zinc/23/75/55/1018237555.db2.gz JRBDAPIDMHDJFR-ONGXEEELSA-N 0 2 307.287 3.618 20 0 DHADLN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C(F)C(F)(F)F ZINC000764501137 1018301422 /nfs/dbraw/zinc/30/14/22/1018301422.db2.gz BSOIGHTVHLOVOQ-GWCFXTLKSA-N 0 2 303.299 3.714 20 0 DHADLN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)[C@H](F)C(F)(F)F ZINC000764501137 1018301432 /nfs/dbraw/zinc/30/14/32/1018301432.db2.gz BSOIGHTVHLOVOQ-GWCFXTLKSA-N 0 2 303.299 3.714 20 0 DHADLN CC[C@H](C)CN(CC)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000448010395 1018519713 /nfs/dbraw/zinc/51/97/13/1018519713.db2.gz MVNHXRQEXBECLO-JTQLQIEISA-N 0 2 324.475 3.588 20 0 DHADLN CC[C@@H](CNc1ccccc1)NC(=O)c1cccc(Cl)c1O ZINC001129205219 1018699431 /nfs/dbraw/zinc/69/94/31/1018699431.db2.gz BZAGBNUQRLIHSK-LBPRGKRZSA-N 0 2 318.804 3.666 20 0 DHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1ccc(Cl)nc1 ZINC000706311181 1018706620 /nfs/dbraw/zinc/70/66/20/1018706620.db2.gz DXUJEPFZWNIORU-UHFFFAOYSA-N 0 2 317.559 4.000 20 0 DHADLN Cc1cscc1NS(=O)(=O)c1c(C)ccc2cccnc21 ZINC000349984730 1018921224 /nfs/dbraw/zinc/92/12/24/1018921224.db2.gz DVLODYFIXXPFMB-UHFFFAOYSA-N 0 2 318.423 3.714 20 0 DHADLN CC(C)Oc1cccc([C@@H](C)NC(=O)C(F)C(F)(F)F)c1 ZINC000278618791 1018935245 /nfs/dbraw/zinc/93/52/45/1018935245.db2.gz MLEXMUVGPGIBAW-BXKDBHETSA-N 0 2 307.287 3.551 20 0 DHADLN CC(C)Oc1cccc([C@@H](C)NC(=O)[C@@H](F)C(F)(F)F)c1 ZINC000278618791 1018935254 /nfs/dbraw/zinc/93/52/54/1018935254.db2.gz MLEXMUVGPGIBAW-BXKDBHETSA-N 0 2 307.287 3.551 20 0 DHADLN CC(C)Oc1cccc([C@@H](C)NC(=O)C(F)C(F)(F)F)c1 ZINC000278618806 1018936960 /nfs/dbraw/zinc/93/69/60/1018936960.db2.gz MLEXMUVGPGIBAW-SKDRFNHKSA-N 0 2 307.287 3.551 20 0 DHADLN CC(C)Oc1cccc([C@@H](C)NC(=O)[C@H](F)C(F)(F)F)c1 ZINC000278618806 1018936972 /nfs/dbraw/zinc/93/69/72/1018936972.db2.gz MLEXMUVGPGIBAW-SKDRFNHKSA-N 0 2 307.287 3.551 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000278753972 1019229059 /nfs/dbraw/zinc/22/90/59/1019229059.db2.gz VTVYXHONUNGGRW-MNOVXSKESA-N 0 2 309.690 3.904 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000278753972 1019229067 /nfs/dbraw/zinc/22/90/67/1019229067.db2.gz VTVYXHONUNGGRW-MNOVXSKESA-N 0 2 309.690 3.904 20 0 DHADLN [S-]c1ccc(Cl)cc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212358483 1019434489 /nfs/dbraw/zinc/43/44/89/1019434489.db2.gz LUROLFYTPOSBQO-UHFFFAOYSA-N 0 2 321.833 3.604 20 0 DHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1coc(C2CC2)n1 ZINC000681636524 1019586383 /nfs/dbraw/zinc/58/63/83/1019586383.db2.gz KLEAFUXXYPRUTA-UHFFFAOYSA-N 0 2 313.140 3.817 20 0 DHADLN CC1(C)CN(C(=O)c2c(O)cc(F)cc2F)[C@H]1c1cccs1 ZINC000673396773 1019869176 /nfs/dbraw/zinc/86/91/76/1019869176.db2.gz ZOFBDOGPYLCTIT-AWEZNQCLSA-N 0 2 323.364 3.955 20 0 DHADLN Cc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1Cl ZINC000186357966 1020260499 /nfs/dbraw/zinc/26/04/99/1020260499.db2.gz UBNUWDHQELOGRJ-UHFFFAOYSA-N 0 2 320.732 3.539 20 0 DHADLN Cc1cccc2sc(NC(=O)c3cc(F)c(O)c(F)c3)nc21 ZINC000176990242 1021187634 /nfs/dbraw/zinc/18/76/34/1021187634.db2.gz AFTFDIGUORMHJY-UHFFFAOYSA-N 0 2 320.320 3.841 20 0 DHADLN O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(F)c(O)c(F)c1 ZINC000177013763 1021189943 /nfs/dbraw/zinc/18/99/43/1021189943.db2.gz MLYOORMLVCCISK-UHFFFAOYSA-N 0 2 317.213 3.942 20 0 DHADLN Cc1ccc(S(O)=CC(=O)NC2CCCCCCC2)c(C)c1 ZINC000107969424 1021356374 /nfs/dbraw/zinc/35/63/74/1021356374.db2.gz RUHNPMRCQCCWAO-QFIPXVFZSA-N 0 2 321.486 3.640 20 0 DHADLN CCc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000556350916 1021677585 /nfs/dbraw/zinc/67/75/85/1021677585.db2.gz PBQZOFMNOYOKSW-UHFFFAOYSA-N 0 2 313.781 3.842 20 0 DHADLN CN(C(=O)c1cc(F)c(O)c(F)c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416296205 1022238063 /nfs/dbraw/zinc/23/80/63/1022238063.db2.gz VENYTFKWMMPXGG-BXUZGUMPSA-N 0 2 311.372 3.957 20 0 DHADLN CC(C)(C(=O)Nc1ccc2nn[nH]c2c1)c1ccccc1Cl ZINC000153712935 1022242548 /nfs/dbraw/zinc/24/25/48/1022242548.db2.gz ZVHPXPMRXDWDCO-UHFFFAOYSA-N 0 2 314.776 3.528 20 0 DHADLN CCC[C@@H](C(=O)NO[C@@H]1CCCCO1)c1cccc(Cl)c1 ZINC000858988930 1033044542 /nfs/dbraw/zinc/04/45/42/1033044542.db2.gz STDYZOKIGRCWSM-HUUCEWRRSA-N 0 2 311.809 3.798 20 0 DHADLN CCc1ncc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)s1 ZINC000154704132 1022327799 /nfs/dbraw/zinc/32/77/99/1022327799.db2.gz LFIGTNFWQRPHKS-UHFFFAOYSA-N 0 2 317.197 3.970 20 0 DHADLN Cc1csc(C(C#N)C(=O)[C@@H](C)c2cn(C)c3ccccc23)n1 ZINC000186985656 1022619535 /nfs/dbraw/zinc/61/95/35/1022619535.db2.gz BCWUCKOANBMOHY-JSGCOSHPSA-N 0 2 323.421 3.923 20 0 DHADLN Cc1csc([C@@H](C#N)C(=O)[C@@H](C)c2cn(C)c3ccccc23)n1 ZINC000186985656 1022619548 /nfs/dbraw/zinc/61/95/48/1022619548.db2.gz BCWUCKOANBMOHY-JSGCOSHPSA-N 0 2 323.421 3.923 20 0 DHADLN Cc1cnc(NS(=O)(=O)/C=C/c2cccc(Cl)c2)s1 ZINC000184188341 1022763877 /nfs/dbraw/zinc/76/38/77/1022763877.db2.gz YYWAPTQFMCWXTI-AATRIKPKSA-N 0 2 314.819 3.518 20 0 DHADLN CCCS(=O)(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000538496309 1033080437 /nfs/dbraw/zinc/08/04/37/1033080437.db2.gz BSISWAWPSXGEKW-UHFFFAOYSA-N 0 2 324.471 3.887 20 0 DHADLN CC(C)(C)c1ccc(C(=O)N=c2nc(C(C)(C)C)[nH]s2)s1 ZINC000622350956 1023124462 /nfs/dbraw/zinc/12/44/62/1023124462.db2.gz XSLFPXCWULIYIW-UHFFFAOYSA-N 0 2 323.487 3.869 20 0 DHADLN O=C([O-])C1(CNc2[nH+]ccc3cc(C(F)(F)F)ccc32)CCC1 ZINC000662898155 1023655649 /nfs/dbraw/zinc/65/56/49/1023655649.db2.gz KXSBTVCUCVZHCS-UHFFFAOYSA-N 0 2 324.302 3.920 20 0 DHADLN CC(C)c1ccc(S(O)=CC(=O)N(C)C2CCCCC2)cc1 ZINC000108067675 1023755378 /nfs/dbraw/zinc/75/53/78/1023755378.db2.gz HASBPWUKJUMTAP-JOCHJYFZSA-N 0 2 321.486 3.709 20 0 DHADLN CC(C)(CNC(=O)C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000787463491 1023796780 /nfs/dbraw/zinc/79/67/80/1023796780.db2.gz HIXRJKMBUWPUHJ-UHFFFAOYSA-N 0 2 313.241 3.662 20 0 DHADLN CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)s1 ZINC000048653405 1023802987 /nfs/dbraw/zinc/80/29/87/1023802987.db2.gz JZPBETLTGRDREE-UHFFFAOYSA-N 0 2 307.440 3.600 20 0 DHADLN CCN(C(=O)C(F)C(F)(F)F)[C@@H](C)c1cccc(OC)c1 ZINC000788127572 1023853143 /nfs/dbraw/zinc/85/31/43/1023853143.db2.gz FVUJOSMIAJFFAA-JOYOIKCWSA-N 0 2 307.287 3.505 20 0 DHADLN CCN(C(=O)[C@@H](F)C(F)(F)F)[C@@H](C)c1cccc(OC)c1 ZINC000788127572 1023853145 /nfs/dbraw/zinc/85/31/45/1023853145.db2.gz FVUJOSMIAJFFAA-JOYOIKCWSA-N 0 2 307.287 3.505 20 0 DHADLN FC(F)OC1CCC(Nc2nc(C3CCCC3)ns2)CC1 ZINC000643190543 1023982208 /nfs/dbraw/zinc/98/22/08/1023982208.db2.gz URAMMLCVNLPWJT-UHFFFAOYSA-N 0 2 317.405 3.580 20 0 DHADLN CC[N@H+](Cc1nc(-c2ccccc2Cl)cs1)[C@@H](C)C(=O)[O-] ZINC000662218224 1023991769 /nfs/dbraw/zinc/99/17/69/1023991769.db2.gz YYCULDSFYXXZJV-JTQLQIEISA-N 0 2 324.833 3.759 20 0 DHADLN CC[N@@H+](Cc1nc(-c2ccccc2Cl)cs1)[C@@H](C)C(=O)[O-] ZINC000662218224 1023991772 /nfs/dbraw/zinc/99/17/72/1023991772.db2.gz YYCULDSFYXXZJV-JTQLQIEISA-N 0 2 324.833 3.759 20 0 DHADLN COc1ccc(N=Cc2cc([N+](=O)[O-])ccc2O)cc1Cl ZINC000263629363 1024228806 /nfs/dbraw/zinc/22/88/06/1024228806.db2.gz XGNNDSJWMLSHMO-UHFFFAOYSA-N 0 2 306.705 3.713 20 0 DHADLN Cc1nc(NS(=O)(=O)c2csc3ccccc23)sc1C ZINC000350116400 1024236355 /nfs/dbraw/zinc/23/63/55/1024236355.db2.gz CDSKECYKUCALOP-UHFFFAOYSA-N 0 2 324.452 3.775 20 0 DHADLN COc1cc(C[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)ccc1C ZINC000194201236 1024617073 /nfs/dbraw/zinc/61/70/73/1024617073.db2.gz VMSQBMVIYHFTRE-UHFFFAOYSA-N 0 2 321.424 3.538 20 0 DHADLN O=C(NOC/C=C/Cl)C1(c2ccc(F)cc2F)CCCC1 ZINC000794298688 1025251156 /nfs/dbraw/zinc/25/11/56/1025251156.db2.gz WKRASTWXVPHRIT-FPYGCLRLSA-N 0 2 315.747 3.577 20 0 DHADLN O=C([O-])c1csc(C[NH2+]Cc2c(Cl)oc3ccccc32)n1 ZINC000426670724 1025444070 /nfs/dbraw/zinc/44/40/70/1025444070.db2.gz SPZFFEACCAZIHC-UHFFFAOYSA-N 0 2 322.773 3.531 20 0 DHADLN Cc1ccc(S(O)=CC(=O)N(C(C)C)C2CCCC2)cc1C ZINC000132360772 1025737638 /nfs/dbraw/zinc/73/76/38/1025737638.db2.gz LTKOHBBSFGDNLY-JOCHJYFZSA-N 0 2 321.486 3.591 20 0 DHADLN CN(CCc1cccs1)C(=O)c1cc(F)cc(Cl)c1O ZINC000155229150 1025808858 /nfs/dbraw/zinc/80/88/58/1025808858.db2.gz HRSCHBBXYMCNKN-UHFFFAOYSA-N 0 2 313.781 3.561 20 0 DHADLN CN(Cc1cccc(Cl)c1Cl)C(=O)C(F)C(F)(F)F ZINC000290056275 1026301702 /nfs/dbraw/zinc/30/17/02/1026301702.db2.gz SEDFVUSFWOXEFG-SECBINFHSA-N 0 2 318.097 3.852 20 0 DHADLN CN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H](F)C(F)(F)F ZINC000290056275 1026301715 /nfs/dbraw/zinc/30/17/15/1026301715.db2.gz SEDFVUSFWOXEFG-SECBINFHSA-N 0 2 318.097 3.852 20 0 DHADLN CCCCN(Cc1ccccc1F)C(=O)C(F)C(F)(F)F ZINC000810080261 1026673117 /nfs/dbraw/zinc/67/31/17/1026673117.db2.gz UVILSEIVNTZXOF-GFCCVEGCSA-N 0 2 309.278 3.855 20 0 DHADLN CCCCN(Cc1ccccc1F)C(=O)[C@@H](F)C(F)(F)F ZINC000810080261 1026673130 /nfs/dbraw/zinc/67/31/30/1026673130.db2.gz UVILSEIVNTZXOF-GFCCVEGCSA-N 0 2 309.278 3.855 20 0 DHADLN CN(Cc1c(Cl)cccc1Cl)C(=O)C(F)C(F)(F)F ZINC000810076612 1026673859 /nfs/dbraw/zinc/67/38/59/1026673859.db2.gz KLGNJRKYSXFBSX-VIFPVBQESA-N 0 2 318.097 3.852 20 0 DHADLN CN(Cc1c(Cl)cccc1Cl)C(=O)[C@H](F)C(F)(F)F ZINC000810076612 1026673865 /nfs/dbraw/zinc/67/38/65/1026673865.db2.gz KLGNJRKYSXFBSX-VIFPVBQESA-N 0 2 318.097 3.852 20 0 DHADLN COC(=O)c1cc(F)c(-c2cc(F)c(O)c(Cl)c2)cc1F ZINC001244502355 1026675520 /nfs/dbraw/zinc/67/55/20/1026675520.db2.gz OEDPAQFYRQKQDW-UHFFFAOYSA-N 0 2 316.662 3.917 20 0 DHADLN CCCN(C(=O)C(F)C(F)(F)F)[C@H]1CCc2ccccc21 ZINC000810253718 1026730605 /nfs/dbraw/zinc/73/06/05/1026730605.db2.gz BIZXDUWSZIILFV-QWHCGFSZSA-N 0 2 303.299 3.813 20 0 DHADLN CCCN(C(=O)[C@@H](F)C(F)(F)F)[C@H]1CCc2ccccc21 ZINC000810253718 1026730621 /nfs/dbraw/zinc/73/06/21/1026730621.db2.gz BIZXDUWSZIILFV-QWHCGFSZSA-N 0 2 303.299 3.813 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000810493985 1026769473 /nfs/dbraw/zinc/76/94/73/1026769473.db2.gz KRFVKEMZLMENCX-STQMWFEESA-N 0 2 321.289 3.650 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000810493985 1026769478 /nfs/dbraw/zinc/76/94/78/1026769478.db2.gz KRFVKEMZLMENCX-STQMWFEESA-N 0 2 321.289 3.650 20 0 DHADLN C1CCC(c2nsc(N[C@@H]3CCOC4(CCCC4)C3)n2)C1 ZINC000420611367 1026841694 /nfs/dbraw/zinc/84/16/94/1026841694.db2.gz NFSLRNVQCBWHQH-CYBMUJFWSA-N 0 2 307.463 3.521 20 0 DHADLN C[C@H](NC(=O)C(F)C(F)(F)F)C1(c2ccccc2)CCCC1 ZINC000811186627 1026950808 /nfs/dbraw/zinc/95/08/08/1026950808.db2.gz RVKDXXCMAIMLIS-AAEUAGOBSA-N 0 2 317.326 3.904 20 0 DHADLN C[C@H](NC(=O)[C@H](F)C(F)(F)F)C1(c2ccccc2)CCCC1 ZINC000811186627 1026950813 /nfs/dbraw/zinc/95/08/13/1026950813.db2.gz RVKDXXCMAIMLIS-AAEUAGOBSA-N 0 2 317.326 3.904 20 0 DHADLN O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)C(F)C(F)(F)F ZINC000811488061 1027010419 /nfs/dbraw/zinc/01/04/19/1027010419.db2.gz HOEFMZMOFTZKQW-BFHYXJOUSA-N 0 2 311.278 3.712 20 0 DHADLN O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)[C@@H](F)C(F)(F)F ZINC000811488061 1027010429 /nfs/dbraw/zinc/01/04/29/1027010429.db2.gz HOEFMZMOFTZKQW-BFHYXJOUSA-N 0 2 311.278 3.712 20 0 DHADLN O=S(=O)(Nc1nc(C2CC2)cs1)c1ccc(C2CC2)cc1 ZINC000295322338 1027196816 /nfs/dbraw/zinc/19/68/16/1027196816.db2.gz OIFSFNOXVXHMQH-UHFFFAOYSA-N 0 2 320.439 3.699 20 0 DHADLN Cc1ccc(CS(=O)(=O)Nc2nc(C3CCC3)cs2)cc1 ZINC000574721006 1027419862 /nfs/dbraw/zinc/41/98/62/1027419862.db2.gz ASHRKFDQKWRJCL-UHFFFAOYSA-N 0 2 322.455 3.661 20 0 DHADLN CC(C)[NH+]1CCc2nc(C[N@@H+](C)C3CCCCC3)sc2C1 ZINC000364726516 1027880085 /nfs/dbraw/zinc/88/00/85/1027880085.db2.gz YBZRMJLFZCDSLW-UHFFFAOYSA-N 0 2 307.507 3.674 20 0 DHADLN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C(F)C(F)(F)F)C1 ZINC000365441332 1027946971 /nfs/dbraw/zinc/94/69/71/1027946971.db2.gz GBZBIHNWJAOOAL-NQBHXWOUSA-N 0 2 303.299 3.600 20 0 DHADLN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000365441332 1027946987 /nfs/dbraw/zinc/94/69/87/1027946987.db2.gz GBZBIHNWJAOOAL-NQBHXWOUSA-N 0 2 303.299 3.600 20 0 DHADLN Cc1ccccc1-c1nsc(NCCCC(F)(F)F)n1 ZINC000527909082 1027964338 /nfs/dbraw/zinc/96/43/38/1027964338.db2.gz GUJFUBUZJZVTNX-UHFFFAOYSA-N 0 2 301.337 3.690 20 0 DHADLN Cc1cccc([C@@H](C)C[NH2+][C@@H](c2cccs2)c2nnc[nH]2)c1 ZINC000577873008 1027968854 /nfs/dbraw/zinc/96/88/54/1027968854.db2.gz KBHABGOHFSSCPU-BBRMVZONSA-N 0 2 312.442 3.657 20 0 DHADLN Cc1cccc(C2=CCN(C(=O)C(F)C(F)(F)F)CC2)c1 ZINC000365694420 1027992890 /nfs/dbraw/zinc/99/28/90/1027992890.db2.gz ZZTBPBPSWYUMBL-CYBMUJFWSA-N 0 2 301.283 3.511 20 0 DHADLN Cc1cccc(C2=CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)c1 ZINC000365694420 1027992903 /nfs/dbraw/zinc/99/29/03/1027992903.db2.gz ZZTBPBPSWYUMBL-CYBMUJFWSA-N 0 2 301.283 3.511 20 0 DHADLN Cc1ccccc1-c1nsc(NCC[C@@H]2CCO[C@H](C)C2)n1 ZINC000527962535 1028004913 /nfs/dbraw/zinc/00/49/13/1028004913.db2.gz OFDKKDCZRPLAHN-ZIAGYGMSSA-N 0 2 317.458 3.553 20 0 DHADLN Cc1c2ccccc2[nH+]c(N2CCS[C@H](C)CC2)c1C(=O)[O-] ZINC000578239516 1028098641 /nfs/dbraw/zinc/09/86/41/1028098641.db2.gz HXNJHINKDHYYAD-LLVKDONJSA-N 0 2 316.426 3.573 20 0 DHADLN OC(=NOC1CCCCC1)N=c1nc(-c2ccccc2)[nH]s1 ZINC000778265961 1028099495 /nfs/dbraw/zinc/09/94/95/1028099495.db2.gz PKJCBFROZLKTIW-UHFFFAOYSA-N 0 2 318.402 3.591 20 0 DHADLN Cc1ccc([C@@H](C)C[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)cc1 ZINC000578431322 1028151271 /nfs/dbraw/zinc/15/12/71/1028151271.db2.gz DSANMTOGWIOOGY-IFXJQAMLSA-N 0 2 324.403 3.735 20 0 DHADLN Cc1csc([C@@H](C#N)C(=O)C2C3CC4CC(C3)CC2C4)n1 ZINC000048787364 1028248809 /nfs/dbraw/zinc/24/88/09/1028248809.db2.gz MYLXOXCXYOWKRK-BPHCLYMKSA-N 0 2 300.427 3.700 20 0 DHADLN COc1cc(C)ccc1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000449071884 1028334805 /nfs/dbraw/zinc/33/48/05/1028334805.db2.gz CHUXEJNXELRRCN-UHFFFAOYSA-N 0 2 321.424 3.538 20 0 DHADLN O=C(C(F)C(F)(F)F)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000815134355 1028392931 /nfs/dbraw/zinc/39/29/31/1028392931.db2.gz UUSOXGURNZCYLJ-QWHCGFSZSA-N 0 2 301.283 3.565 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000815134355 1028392949 /nfs/dbraw/zinc/39/29/49/1028392949.db2.gz UUSOXGURNZCYLJ-QWHCGFSZSA-N 0 2 301.283 3.565 20 0 DHADLN Cc1csc([C@H](C#N)C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)n1 ZINC000041517560 1028742315 /nfs/dbraw/zinc/74/23/15/1028742315.db2.gz NRIONQGKBOSBEW-MGPQQGTHSA-N 0 2 300.358 3.571 20 0 DHADLN O=C(NC(c1cccs1)c1cccs1)C(F)C(F)(F)F ZINC000373016972 1028934586 /nfs/dbraw/zinc/93/45/86/1028934586.db2.gz YMFIUXBITLRINS-JTQLQIEISA-N 0 2 323.336 3.916 20 0 DHADLN O=C(NC(c1cccs1)c1cccs1)[C@H](F)C(F)(F)F ZINC000373016972 1028934599 /nfs/dbraw/zinc/93/45/99/1028934599.db2.gz YMFIUXBITLRINS-JTQLQIEISA-N 0 2 323.336 3.916 20 0 DHADLN Cc1csc(C(C#N)C(=O)C2(Cc3ccccc3F)CC2)n1 ZINC000190749134 1029138281 /nfs/dbraw/zinc/13/82/81/1029138281.db2.gz HDQAAVDHJGWMAT-CYBMUJFWSA-N 0 2 314.385 3.790 20 0 DHADLN Cc1csc([C@H](C#N)C(=O)C2(Cc3ccccc3F)CC2)n1 ZINC000190749134 1029138307 /nfs/dbraw/zinc/13/83/07/1029138307.db2.gz HDQAAVDHJGWMAT-CYBMUJFWSA-N 0 2 314.385 3.790 20 0 DHADLN CC1(C)[C@@H](c2ccccc2)CCN1C(=O)C(F)C(F)(F)F ZINC000817506835 1029193398 /nfs/dbraw/zinc/19/33/98/1029193398.db2.gz OSTOUDGQRYLNDF-VXGBXAGGSA-N 0 2 303.299 3.682 20 0 DHADLN CC1(C)[C@@H](c2ccccc2)CCN1C(=O)[C@@H](F)C(F)(F)F ZINC000817506835 1029193406 /nfs/dbraw/zinc/19/34/06/1029193406.db2.gz OSTOUDGQRYLNDF-VXGBXAGGSA-N 0 2 303.299 3.682 20 0 DHADLN CCCc1cnc(NS(=O)(=O)c2sccc2Cl)s1 ZINC000450991566 1029755617 /nfs/dbraw/zinc/75/56/17/1029755617.db2.gz MTRBHOWKOFKKTM-UHFFFAOYSA-N 0 2 322.864 3.611 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000290759576 1030176042 /nfs/dbraw/zinc/17/60/42/1030176042.db2.gz OLAGYKXRTVVABS-LBPRGKRZSA-N 0 2 323.717 3.946 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CCC(c2ccc(Cl)cc2)CC1 ZINC000290759576 1030176061 /nfs/dbraw/zinc/17/60/61/1030176061.db2.gz OLAGYKXRTVVABS-LBPRGKRZSA-N 0 2 323.717 3.946 20 0 DHADLN Cc1ccc([C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)c(C)c1 ZINC000290988449 1030273311 /nfs/dbraw/zinc/27/33/11/1030273311.db2.gz ZNMSGXPYPVEOIP-DGCLKSJQSA-N 0 2 303.299 3.520 20 0 DHADLN Cc1ccc([C@@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)c(C)c1 ZINC000290988449 1030273332 /nfs/dbraw/zinc/27/33/32/1030273332.db2.gz ZNMSGXPYPVEOIP-DGCLKSJQSA-N 0 2 303.299 3.520 20 0 DHADLN Cc1sc(CC(=O)NOCCCC(F)(F)F)nc1C(C)C ZINC000871216496 1031164368 /nfs/dbraw/zinc/16/43/68/1031164368.db2.gz ZLPKCPDADXEMAX-UHFFFAOYSA-N 0 2 324.368 3.508 20 0 DHADLN Cc1ccc2ccnc(NC(=O)c3cc(F)cc(F)c3O)c2c1 ZINC001144070294 1031214693 /nfs/dbraw/zinc/21/46/93/1031214693.db2.gz KSYUKQOCZVQIHY-UHFFFAOYSA-N 0 2 314.291 3.779 20 0 DHADLN CC(C)[NH+]1CCc2nc(C[N@H+](C)[C@@H]3CC[C@@H](C)C3)sc2C1 ZINC000433036738 1031360929 /nfs/dbraw/zinc/36/09/29/1031360929.db2.gz YNQHDRCYGLWROS-ZIAGYGMSSA-N 0 2 307.507 3.530 20 0 DHADLN CCCc1nnc(NC(=O)c2snc(Cl)c2Cl)s1 ZINC000845265371 1031522888 /nfs/dbraw/zinc/52/28/88/1031522888.db2.gz KFNSTXPCSFOWLC-UHFFFAOYSA-N 0 2 323.230 3.506 20 0 DHADLN C[C@@H]1CN(C(=O)c2cccc(Cl)c2O)CCc2ccccc21 ZINC000846515771 1031992193 /nfs/dbraw/zinc/99/21/93/1031992193.db2.gz DVUDWHZWGSAPCL-GFCCVEGCSA-N 0 2 315.800 3.848 20 0 DHADLN Cc1cc(-c2noc(-c3ncc(C(F)(F)F)[nH]3)n2)ccc1F ZINC001212688575 1033445574 /nfs/dbraw/zinc/44/55/74/1033445574.db2.gz JSFVHJJFJPJPSA-UHFFFAOYSA-N 0 2 312.226 3.593 20 0 DHADLN CC[C@H](C)CC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000480080262 1034045930 /nfs/dbraw/zinc/04/59/30/1034045930.db2.gz AIYNNSWNWNLQQD-VIFPVBQESA-N 0 2 309.822 3.655 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCC[C@H]1Cc1ccccc1 ZINC000177009199 1034128106 /nfs/dbraw/zinc/12/81/06/1034128106.db2.gz RCCRTPUQMMSQAL-AWEZNQCLSA-N 0 2 317.335 3.518 20 0 DHADLN Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2C(=O)[O-])no1 ZINC001142643244 1034861486 /nfs/dbraw/zinc/86/14/86/1034861486.db2.gz NBTQSUOPPBGQIB-OAHLLOKOSA-N 0 2 320.776 3.672 20 0 DHADLN Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2C(=O)[O-])no1 ZINC001142643244 1034861494 /nfs/dbraw/zinc/86/14/94/1034861494.db2.gz NBTQSUOPPBGQIB-OAHLLOKOSA-N 0 2 320.776 3.672 20 0 DHADLN O=C([O-])/C=C/c1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1 ZINC001176592184 1035292546 /nfs/dbraw/zinc/29/25/46/1035292546.db2.gz WEUTUNXIMNFFOS-JXMROGBWSA-N 0 2 309.369 3.523 20 0 DHADLN O=S(=O)(Nc1nc2c(s1)CCCCCC2)c1ccccc1 ZINC000195638771 1035627784 /nfs/dbraw/zinc/62/77/84/1035627784.db2.gz SSKSDOKMIGLUNS-UHFFFAOYSA-N 0 2 322.455 3.603 20 0 DHADLN Cc1cnc(NS(=O)(=O)c2ccc(-c3cccs3)cc2)o1 ZINC001194130737 1035835856 /nfs/dbraw/zinc/83/58/56/1035835856.db2.gz FHWVNJJBKUSEES-UHFFFAOYSA-N 0 2 320.395 3.512 20 0 DHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2cccs2)cc1 ZINC001194131310 1035836529 /nfs/dbraw/zinc/83/65/29/1035836529.db2.gz UNWBMBGPLZTCQW-UHFFFAOYSA-N 0 2 322.436 3.672 20 0 DHADLN Cc1cccc(C)c1S(=O)(=O)Nc1cc(Cl)cs1 ZINC001194615786 1035983070 /nfs/dbraw/zinc/98/30/70/1035983070.db2.gz JGICJKRAMVPPNW-UHFFFAOYSA-N 0 2 301.820 3.819 20 0 DHADLN COCc1ccccc1-c1noc(-c2cccc(Cl)c2O)n1 ZINC000761694517 1035985788 /nfs/dbraw/zinc/98/57/88/1035985788.db2.gz LFQVKKHWJPMZGY-UHFFFAOYSA-N 0 2 316.744 3.909 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCC3)sc1C ZINC000540217724 1036016376 /nfs/dbraw/zinc/01/63/76/1036016376.db2.gz WRSAYLLAAXGJCK-UHFFFAOYSA-N 0 2 307.440 3.654 20 0 DHADLN CCOc1cc(NC(=O)c2cccc(Cl)c2O)ccc1OC ZINC000775660298 1036269771 /nfs/dbraw/zinc/26/97/71/1036269771.db2.gz CIKUQZGRKPVXDT-UHFFFAOYSA-N 0 2 321.760 3.705 20 0 DHADLN CCc1nc(Cc2noc(-c3cccc(Cl)c3O)n2)cs1 ZINC000761849556 1036335002 /nfs/dbraw/zinc/33/50/02/1036335002.db2.gz XDTVSKRABOAQKM-UHFFFAOYSA-N 0 2 321.789 3.705 20 0 DHADLN COC1CCC(CCNc2nc(-c3ccccc3)ns2)CC1 ZINC000541597647 1036372225 /nfs/dbraw/zinc/37/22/25/1036372225.db2.gz WPWLLSFUNHEMKK-UHFFFAOYSA-N 0 2 317.458 3.634 20 0 DHADLN O=C(c1cccc(Cl)c1O)N1CC[C@@H](c2ccccc2)C1 ZINC000775679519 1036412123 /nfs/dbraw/zinc/41/21/23/1036412123.db2.gz HONDQZZFZAUSMJ-CYBMUJFWSA-N 0 2 301.773 3.675 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2cc(C)c(F)c(F)c2)c(F)c1 ZINC001196387323 1036518662 /nfs/dbraw/zinc/51/86/62/1036518662.db2.gz NDDQTSQTSKDIPC-UHFFFAOYSA-N 0 2 315.316 3.522 20 0 DHADLN Cc1cnc(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)o1 ZINC001196413096 1036529711 /nfs/dbraw/zinc/52/97/11/1036529711.db2.gz UZFDLXJRFRRXTD-UHFFFAOYSA-N 0 2 322.773 3.590 20 0 DHADLN CC(=O)c1cccc(NC(=O)c2cc(Cl)c(F)cc2O)c1C ZINC001196468360 1036539864 /nfs/dbraw/zinc/53/98/64/1036539864.db2.gz YJGHXMRDGTUHRI-UHFFFAOYSA-N 0 2 321.735 3.948 20 0 DHADLN CC[C@H](NC(=O)c1cccc(Cl)c1O)c1nc(C)cs1 ZINC000775717541 1036540969 /nfs/dbraw/zinc/54/09/69/1036540969.db2.gz ZPHZGAZFFBSIKW-NSHDSACASA-N 0 2 310.806 3.692 20 0 DHADLN O=C(c1cccc(Cl)c1O)N1CCc2c(Cl)cccc2C1 ZINC000775752768 1036660370 /nfs/dbraw/zinc/66/03/70/1036660370.db2.gz FPKJEOZGCVSQFA-UHFFFAOYSA-N 0 2 322.191 3.898 20 0 DHADLN O=C(c1cccc(Cl)c1O)N1CC[C@H]1c1cccc(F)c1 ZINC000775763488 1036710358 /nfs/dbraw/zinc/71/03/58/1036710358.db2.gz OXCQMUIRTBYSDH-AWEZNQCLSA-N 0 2 305.736 3.772 20 0 DHADLN Cc1ccc2c(c1)N(C(=O)c1cccc(Cl)c1O)C[C@@H](C)O2 ZINC000775769298 1036749250 /nfs/dbraw/zinc/74/92/50/1036749250.db2.gz MRYHFERMXOQWOU-LLVKDONJSA-N 0 2 317.772 3.782 20 0 DHADLN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)C(F)=C1CCCC1 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DHADLN C[C@@H]1C[C@H](NC(=O)c2c(F)ccc(F)c2O)c2ccccc21 ZINC001192720363 1038696799 /nfs/dbraw/zinc/69/67/99/1038696799.db2.gz QKOCQGYHGDHGRG-OTYXRUKQSA-N 0 2 303.308 3.649 20 0 DHADLN C[C@H]1C[C@H](NC(=O)c2c(F)ccc(F)c2O)c2ccccc21 ZINC001192720364 1038696921 /nfs/dbraw/zinc/69/69/21/1038696921.db2.gz QKOCQGYHGDHGRG-XPTSAGLGSA-N 0 2 303.308 3.649 20 0 DHADLN CCC1(NC(=O)c2c(F)ccc(F)c2O)CCC(F)(F)CC1 ZINC001192717701 1038697068 /nfs/dbraw/zinc/69/70/68/1038697068.db2.gz FXTNFGRIRBPEPQ-UHFFFAOYSA-N 0 2 319.298 3.758 20 0 DHADLN CC[C@H](NC(=O)c1ccc(F)c(F)c1O)c1ccccc1OC ZINC001192818035 1038705013 /nfs/dbraw/zinc/70/50/13/1038705013.db2.gz KBEMCDTXBRPUGJ-ZDUSSCGKSA-N 0 2 321.323 3.560 20 0 DHADLN O=C(c1ccc(O)c(F)c1F)N1CCC[C@@H]1C1CCCCC1 ZINC001192833412 1038705679 /nfs/dbraw/zinc/70/56/79/1038705679.db2.gz RMLWIJCJSZGWGK-CYBMUJFWSA-N 0 2 309.356 3.855 20 0 DHADLN O=S(=O)(Nc1ccc(Cl)cc1)c1cc(F)c(F)cc1F ZINC000591795076 1038992214 /nfs/dbraw/zinc/99/22/14/1038992214.db2.gz 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Cc1c2ccccc2[nH+]c(N2CCC(F)(F)[C@@H](C)C2)c1C(=O)[O-] ZINC000572606231 332714606 /nfs/dbraw/zinc/71/46/06/332714606.db2.gz KCBUFNVCTSQZDC-JTQLQIEISA-N 0 2 320.339 3.723 20 0 DHADLN O=C(Nc1ccc(F)cc1NC1CC1)c1cc(F)c(O)c(F)c1 ZINC000180157712 333027105 /nfs/dbraw/zinc/02/71/05/333027105.db2.gz ITLZINILJZPPQU-UHFFFAOYSA-N 0 2 322.286 3.636 20 0 DHADLN C[C@H](CNc1nc(-c2ccccc2)ns1)Cc1cccs1 ZINC000462901952 333130295 /nfs/dbraw/zinc/13/02/95/333130295.db2.gz GXVXFJZLAYUJFZ-LBPRGKRZSA-N 0 2 315.467 3.979 20 0 DHADLN CS[C@@H]1CCCCN(C(=O)c2cc(F)c(O)c(Cl)c2)C1 ZINC000194929551 333317635 /nfs/dbraw/zinc/31/76/35/333317635.db2.gz DRHFMQMUFISKGY-SNVBAGLBSA-N 0 2 317.813 3.542 20 0 DHADLN Cc1cccn2c(C[NH2+]C[C@H]3SCCc4ccccc43)c[nH+]c12 ZINC000531390086 333348851 /nfs/dbraw/zinc/34/88/51/333348851.db2.gz POSAGEGFSCDKIS-GOSISDBHSA-N 0 2 323.465 3.763 20 0 DHADLN O=C(c1cc(F)c(O)c(Cl)c1)N1CCC[C@H]1C1CCCC1 ZINC000184300258 333354898 /nfs/dbraw/zinc/35/48/98/333354898.db2.gz IYNYSWVLHVUVAX-AWEZNQCLSA-N 0 2 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C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)CC[C@@H]1c1ccccc1 ZINC000377929747 337064098 /nfs/dbraw/zinc/06/40/98/337064098.db2.gz AUXQWYLAEYJQLG-WXHSDQCUSA-N 0 2 303.299 3.539 20 0 DHADLN C[C@@H]1CN(C(=O)C(F)C(F)(F)F)CC[C@@H]1c1ccccc1 ZINC000377929747 337064099 /nfs/dbraw/zinc/06/40/99/337064099.db2.gz AUXQWYLAEYJQLG-WXHSDQCUSA-N 0 2 303.299 3.539 20 0 DHADLN Cc1cc(C[N@@H+](C)Cc2cc(Cl)ccc2F)oc1C(=O)[O-] ZINC000582790720 337167195 /nfs/dbraw/zinc/16/71/95/337167195.db2.gz BPOQOGJICXPSLE-UHFFFAOYSA-N 0 2 311.740 3.711 20 0 DHADLN Cc1cc(C[N@H+](C)Cc2cc(Cl)ccc2F)oc1C(=O)[O-] ZINC000582790720 337167196 /nfs/dbraw/zinc/16/71/96/337167196.db2.gz BPOQOGJICXPSLE-UHFFFAOYSA-N 0 2 311.740 3.711 20 0 DHADLN C[C@@H]1CN(C(=O)c2cc(F)c(F)c(O)c2F)[C@@H]1c1ccccc1 ZINC000180089643 337173631 /nfs/dbraw/zinc/17/36/31/337173631.db2.gz LWZKKEICNQLWOF-PSLIRLAXSA-N 0 2 321.298 3.643 20 0 DHADLN O=C(c1cc(F)c(O)c(Cl)c1)N1CC2(CC2)c2ccccc21 ZINC000194743595 337463505 /nfs/dbraw/zinc/46/35/05/337463505.db2.gz 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ZINC000437415077 338309383 /nfs/dbraw/zinc/30/93/83/338309383.db2.gz VLGGDOKVHNJYDZ-UHFFFAOYSA-N 0 2 324.452 3.775 20 0 DHADLN O=C(CCCC(=O)C1CC1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000450317649 338677218 /nfs/dbraw/zinc/67/72/18/338677218.db2.gz KYAXTCKEDHNQNP-UHFFFAOYSA-N 0 2 316.184 3.787 20 0 DHADLN CC(C)Cc1nsc(N[C@H]2CCO[C@H](c3cccs3)C2)n1 ZINC000450863001 338709268 /nfs/dbraw/zinc/70/92/68/338709268.db2.gz PNBCGWDPCFBQRW-RYUDHWBXSA-N 0 2 323.487 3.552 20 0 DHADLN CC(C)[C@H]1N(C(=O)c2cc(F)cc(Cl)c2O)CC12CCC2 ZINC000451957525 338749059 /nfs/dbraw/zinc/74/90/59/338749059.db2.gz VDKTUQSARCWNRG-CQSZACIVSA-N 0 2 311.784 3.835 20 0 DHADLN O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1cc(F)c(O)c(Cl)c1 ZINC000194983983 338812099 /nfs/dbraw/zinc/81/20/99/338812099.db2.gz AJLOVUNPJSWYCE-SMDDNHRTSA-N 0 2 323.726 3.610 20 0 DHADLN Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)cc1 ZINC000461329267 339061970 /nfs/dbraw/zinc/06/19/70/339061970.db2.gz CUKOHFOERUOMHH-UHFFFAOYSA-N 0 2 321.345 3.876 20 0 DHADLN CCCc1nsc(NCc2ccc(F)cc2C(F)(F)F)n1 ZINC000461787827 339067066 /nfs/dbraw/zinc/06/70/66/339067066.db2.gz QMVZNCOTVRUTGZ-UHFFFAOYSA-N 0 2 319.327 3.683 20 0 DHADLN CC(C)(C)c1nc(=NC(=O)c2cccc3ccsc32)s[nH]1 ZINC000466862309 339219340 /nfs/dbraw/zinc/21/93/40/339219340.db2.gz BIOTZSPWYSTFCX-UHFFFAOYSA-N 0 2 317.439 3.725 20 0 DHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(F)c(C)c2)cc1F ZINC000475731661 339460749 /nfs/dbraw/zinc/46/07/49/339460749.db2.gz FBNUFONKPTZZKZ-UHFFFAOYSA-N 0 2 315.316 3.522 20 0 DHADLN CC(C)(C)c1nc(=NCc2ccc(-c3ccncc3)cc2)s[nH]1 ZINC000489656607 339815244 /nfs/dbraw/zinc/81/52/44/339815244.db2.gz GXEXKKCXYXJLPB-UHFFFAOYSA-N 0 2 324.453 3.932 20 0 DHADLN Cc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(OC(C)(C)C)c1 ZINC000499682414 340042615 /nfs/dbraw/zinc/04/26/15/340042615.db2.gz SRGWJPXTFSCMPT-WBVHZDCISA-N 0 2 316.489 3.887 20 0 DHADLN O=C(Nc1cccc(-c2cccs2)c1)c1ccc2[nH]nnc2c1 ZINC000505882792 340180587 /nfs/dbraw/zinc/18/05/87/340180587.db2.gz JYFDVZOUTXCIQG-UHFFFAOYSA-N 0 2 320.377 3.939 20 0 DHADLN CCCOc1ccc(NS(=O)(=O)c2sccc2C)cc1 ZINC000506995040 340204973 /nfs/dbraw/zinc/20/49/73/340204973.db2.gz OLIPGQJYWAQJIJ-UHFFFAOYSA-N 0 2 311.428 3.646 20 0 DHADLN C[C@H](C(=O)Nc1ccc2nn[nH]c2c1)c1ccc2ccccc2c1 ZINC000508000078 340237207 /nfs/dbraw/zinc/23/72/07/340237207.db2.gz MULHITINDYZNDS-LBPRGKRZSA-N 0 2 316.364 3.853 20 0 DHADLN CO[C@@H](C)c1nsc(N[C@@H](C)Cc2ccc(C(C)C)cc2)n1 ZINC000509558140 340273325 /nfs/dbraw/zinc/27/33/25/340273325.db2.gz QGNLBCWLASTUTP-STQMWFEESA-N 0 2 319.474 3.834 20 0 DHADLN CO[C@H](C)c1nsc(NCCCc2ccc(C(C)C)cc2)n1 ZINC000509559898 340273530 /nfs/dbraw/zinc/27/35/30/340273530.db2.gz VRUKFGRGKIKOFK-CYBMUJFWSA-N 0 2 319.474 3.836 20 0 DHADLN CO[C@H](C)c1nsc(N[C@H]2CC[C@@H](c3cccc(F)c3)C2)n1 ZINC000509918760 340282722 /nfs/dbraw/zinc/28/27/22/340282722.db2.gz IUWHUDMGSGOQTH-QKCSRTOESA-N 0 2 321.421 3.555 20 0 DHADLN O=S(=O)(Nc1ccsc1)c1cccc(Cl)c1Cl ZINC000174253597 340384860 /nfs/dbraw/zinc/38/48/60/340384860.db2.gz CICNTWJUEGLECS-UHFFFAOYSA-N 0 2 308.211 3.856 20 0 DHADLN C/C=C/c1ccc(NS(=O)(=O)c2sccc2OC)cc1 ZINC000517615426 340473605 /nfs/dbraw/zinc/47/36/05/340473605.db2.gz CXRMHKJARCSGQG-ONEGZZNKSA-N 0 2 309.412 3.591 20 0 DHADLN CO[C@@H](C)c1cccc(NS(=O)(=O)c2c(C)cccc2F)c1 ZINC000186980354 340517144 /nfs/dbraw/zinc/51/71/44/340517144.db2.gz PWGSWTGXMRFEKR-LBPRGKRZSA-N 0 2 323.389 3.642 20 0 DHADLN O=C(N[C@@H]1CCCc2ccccc21)c1cc(F)c(F)c(O)c1F ZINC000193910977 340585792 /nfs/dbraw/zinc/58/57/92/340585792.db2.gz MBMQXAYXRFFKPY-CYBMUJFWSA-N 0 2 321.298 3.617 20 0 DHADLN CSc1ccc(C)c(NS(=O)(=O)c2ccccc2F)c1 ZINC000538298597 340816871 /nfs/dbraw/zinc/81/68/71/340816871.db2.gz OMYONBFFGMPQDR-UHFFFAOYSA-N 0 2 311.403 3.657 20 0 DHADLN CCC(CC)NC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000542729925 341019019 /nfs/dbraw/zinc/01/90/19/341019019.db2.gz RIYQHPVDZLWPCS-UHFFFAOYSA-N 0 2 324.837 3.591 20 0 DHADLN C[C@@H](CN(C)C(=O)c1cc(F)c(F)c(O)c1F)c1ccccc1 ZINC000543525114 341048417 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/nfs/dbraw/zinc/60/20/23/341602023.db2.gz UJMNMDGONRVEKG-UHFFFAOYSA-N 0 2 315.417 3.573 20 0 DHADLN CCO[C@H](C)C(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl ZINC000127782895 520467506 /nfs/dbraw/zinc/46/75/06/520467506.db2.gz LLVRTVBNCXGBEP-RXMQYKEDSA-N 0 2 312.580 3.716 20 0 DHADLN O=C(CC[C@@H]1CCCCO1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000130124681 526552975 /nfs/dbraw/zinc/55/29/75/526552975.db2.gz CTBZTWDYBUWVTN-JTQLQIEISA-N 0 2 318.200 3.987 20 0 DHADLN O=C(c1cc(F)c(F)c(O)c1F)N1CCC[C@@H]2CCCC[C@H]21 ZINC000184923276 526614886 /nfs/dbraw/zinc/61/48/86/526614886.db2.gz HIASHURUZQUCNC-JOYOIKCWSA-N 0 2 313.319 3.604 20 0 DHADLN O=C([O-])C[N@H+](Cc1csc(-c2cccs2)n1)C1CCCC1 ZINC000577964387 602333178 /nfs/dbraw/zinc/33/31/78/602333178.db2.gz KKHXOXLIEJMOFM-UHFFFAOYSA-N 0 2 322.455 3.701 20 0 DHADLN O=C([O-])C[N@@H+](Cc1csc(-c2cccs2)n1)C1CCCC1 ZINC000577964387 602333182 /nfs/dbraw/zinc/33/31/82/602333182.db2.gz KKHXOXLIEJMOFM-UHFFFAOYSA-N 0 2 322.455 3.701 20 0 DHADLN C[C@H](c1ccccn1)[N@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833549003 605844075 /nfs/dbraw/zinc/84/40/75/605844075.db2.gz JQAXDJYHDSPKHO-LLVKDONJSA-N 0 2 304.777 3.626 20 0 DHADLN C[C@H](c1ccccn1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833549003 605844078 /nfs/dbraw/zinc/84/40/78/605844078.db2.gz JQAXDJYHDSPKHO-LLVKDONJSA-N 0 2 304.777 3.626 20 0 DHADLN CCOc1ccc(SCC(=O)NOC2CCCCC2)cc1 ZINC000777964449 1032057745 /nfs/dbraw/zinc/05/77/45/1032057745.db2.gz IPRPIIHCASVSAO-UHFFFAOYSA-N 0 2 309.431 3.558 20 0 DHADLN Cc1cccc(S(=O)(=O)Nc2ccc3ncsc3c2)c1F ZINC000180481715 1013093854 /nfs/dbraw/zinc/09/38/54/1013093854.db2.gz AZRXAXJEHGIOPA-UHFFFAOYSA-N 0 2 322.386 3.545 20 0 DHADLN CC(C)(C)Oc1cc[nH+]cc1NCc1cccc(C(=O)[O-])c1 ZINC001602921346 971877436 /nfs/dbraw/zinc/87/74/36/971877436.db2.gz JPJDPPRGBGRQEP-UHFFFAOYSA-N 0 2 300.358 3.569 20 0 DHADLN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1csc(C2CCCCC2)n1 ZINC000650501784 968599312 /nfs/dbraw/zinc/59/93/12/968599312.db2.gz UBCPSTWWPHPOHW-BXUZGUMPSA-N 0 2 308.447 3.628 20 0 DHADLN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1csc(C2CCCCC2)n1 ZINC000650501784 968599321 /nfs/dbraw/zinc/59/93/21/968599321.db2.gz UBCPSTWWPHPOHW-BXUZGUMPSA-N 0 2 308.447 3.628 20 0 DHADLN CC[C@@H]1CC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2O)O1 ZINC000330868624 1013843682 /nfs/dbraw/zinc/84/36/82/1013843682.db2.gz PJPBLVFURCENJK-LDYMZIIASA-N 0 2 304.173 3.595 20 0 DHADLN C[C@@H]1CC[C@@H](CCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)O1 ZINC000155515735 1013889198 /nfs/dbraw/zinc/88/91/98/1013889198.db2.gz CHKZGBXDBYBTIB-SCZZXKLOSA-N 0 2 318.200 3.985 20 0 DHADLN C[C@H]1CC[C@@H](CCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)O1 ZINC000155515845 1013890374 /nfs/dbraw/zinc/89/03/74/1013890374.db2.gz CHKZGBXDBYBTIB-WPRPVWTQSA-N 0 2 318.200 3.985 20 0 DHADLN C[C@@H](C(=O)[O-])[N@H+](Cc1csc(-c2ccsc2)n1)C1CCC1 ZINC000564669341 974551775 /nfs/dbraw/zinc/55/17/75/974551775.db2.gz HLGOQPWTVYDXNZ-JTQLQIEISA-N 0 2 322.455 3.699 20 0 DHADLN C[C@@H](C(=O)[O-])[N@@H+](Cc1csc(-c2ccsc2)n1)C1CCC1 ZINC000564669341 974551782 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Cc1ccnc(NS(=O)(=O)c2cccc(F)c2C)c1C1CC1 ZINC000656739186 1015109565 /nfs/dbraw/zinc/10/95/65/1015109565.db2.gz WCMXFGMOXNXUHN-UHFFFAOYSA-N 0 2 320.389 3.516 20 0 DHADLN CCc1c[nH]c2nc[nH+]c(Nc3ccc(C[C@H](C)C(=O)[O-])cc3)c12 ZINC001597421158 987738188 /nfs/dbraw/zinc/73/81/88/987738188.db2.gz HDYXUYHIXQNKTM-NSHDSACASA-N 0 2 324.384 3.527 20 0 DHADLN CCc1oc(C[NH2+][C@H](C)c2c(F)cccc2OC)cc1C(=O)[O-] ZINC001597799359 989380617 /nfs/dbraw/zinc/38/06/17/989380617.db2.gz PUVLSWWWTLIKNN-SNVBAGLBSA-N 0 2 321.348 3.539 20 0 DHADLN C[N@H+](Cc1cnc(-c2ccccc2)o1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598533002 992809316 /nfs/dbraw/zinc/80/93/16/992809316.db2.gz JQAWGYFIJBBUQX-QGZVFWFLSA-N 0 2 322.364 3.599 20 0 DHADLN C[N@@H+](Cc1cnc(-c2ccccc2)o1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598533002 992809319 /nfs/dbraw/zinc/80/93/19/992809319.db2.gz JQAWGYFIJBBUQX-QGZVFWFLSA-N 0 2 322.364 3.599 20 0 DHADLN CC(C)[N@H+](Cc1ccccc1F)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001591603672 992836441 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303.299 3.643 20 0 DHADLN CCOc1ccc2nc(SCCCn3cc[nH+]c3C)[nH]c2c1 ZINC000342711164 1017068969 /nfs/dbraw/zinc/06/89/69/1017068969.db2.gz WDWCLVLONWBRQN-UHFFFAOYSA-N 0 2 316.430 3.649 20 0 DHADLN COc1cc(C2(C(=O)NOCC3CCC3)CCCC2)ccc1C ZINC001148106908 1032363394 /nfs/dbraw/zinc/36/33/94/1032363394.db2.gz HWLMPJVEYUVZCM-UHFFFAOYSA-N 0 2 317.429 3.663 20 0 DHADLN COC1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CCCC1 ZINC000683116477 1012027551 /nfs/dbraw/zinc/02/75/51/1012027551.db2.gz GPFFUYTYFPNAMF-UHFFFAOYSA-N 0 2 304.173 3.597 20 0 DHADLN CC[C@H](NC(=O)c1c(O)cc(F)cc1F)c1ccccc1OC ZINC000066045276 1012430784 /nfs/dbraw/zinc/43/07/84/1012430784.db2.gz XLGFZTGGVKDWMS-ZDUSSCGKSA-N 0 2 321.323 3.560 20 0 DHADLN CCC[C@@H](C)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000517646757 1013037720 /nfs/dbraw/zinc/03/77/20/1013037720.db2.gz JHXSFSHYFKZHNV-SECBINFHSA-N 0 2 309.822 3.655 20 0 DHADLN CC(C)c1ccoc1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000367278326 1018042808 /nfs/dbraw/zinc/04/28/08/1018042808.db2.gz 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Cc1ccc(Nc2[nH+]cccc2N2CCCCC2)cc1C(=O)[O-] ZINC001211599750 1018702766 /nfs/dbraw/zinc/70/27/66/1018702766.db2.gz UVWWUIZVSBUFAI-UHFFFAOYSA-N 0 2 311.385 3.822 20 0 DHADLN Cc1ccc(C)c2sc(NS(=O)(=O)c3ccsc3)nc21 ZINC000671667653 1019167226 /nfs/dbraw/zinc/16/72/26/1019167226.db2.gz OZOXVISCLIFGSW-UHFFFAOYSA-N 0 2 324.452 3.775 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)sc1C ZINC000091013444 1019429732 /nfs/dbraw/zinc/42/97/32/1019429732.db2.gz SWCZBAWRYKJDSU-UHFFFAOYSA-N 0 2 306.412 3.647 20 0 DHADLN Cc1cc(C)c(CNC(=O)c2c(O)cc(F)cc2F)c(C)c1 ZINC000066044320 1019477775 /nfs/dbraw/zinc/47/77/75/1019477775.db2.gz UNWYQDQREGJWCU-UHFFFAOYSA-N 0 2 305.324 3.526 20 0 DHADLN CC(C)(C)c1ccccc1S(=O)(=O)Nc1cccc(Cl)n1 ZINC000765990076 1020099695 /nfs/dbraw/zinc/09/96/95/1020099695.db2.gz KTSRSONSVVJYDQ-UHFFFAOYSA-N 0 2 324.833 3.833 20 0 DHADLN O=C(CSCc1ccc(Cl)cc1)NOCc1ccccc1 ZINC000039584904 1020348942 /nfs/dbraw/zinc/34/89/42/1020348942.db2.gz TWWNJPNEAPVDLY-UHFFFAOYSA-N 0 2 321.829 3.821 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c(F)c1 ZINC000404912578 1020607978 /nfs/dbraw/zinc/60/79/78/1020607978.db2.gz JMXCTNZKHHQJON-UHFFFAOYSA-N 0 2 313.781 3.897 20 0 DHADLN Cc1ccc(-c2n[nH]c(NC(=O)c3cc4occc4[nH]3)c2C)o1 ZINC000161469643 1021077980 /nfs/dbraw/zinc/07/79/80/1021077980.db2.gz OGRMOFPWWYNBSZ-UHFFFAOYSA-N 0 2 310.313 3.613 20 0 DHADLN C[C@H]([NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1)c1cccs1 ZINC000538018695 1032974323 /nfs/dbraw/zinc/97/43/23/1032974323.db2.gz UYOXQBBKMJCQCA-JTQLQIEISA-N 0 2 302.378 3.523 20 0 DHADLN Cc1cc(Cl)cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000166144475 1021388414 /nfs/dbraw/zinc/38/84/14/1021388414.db2.gz ZTNLFHBDGHCNLS-UHFFFAOYSA-N 0 2 306.705 3.515 20 0 DHADLN C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1O)c1cccnc1 ZINC000354391176 1022259762 /nfs/dbraw/zinc/25/97/62/1022259762.db2.gz BURZOHVAOKRYFO-QMMMGPOBSA-N 0 2 311.168 3.836 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000855485677 1022640264 /nfs/dbraw/zinc/64/02/64/1022640264.db2.gz GQHYHMDMSFEIIH-GHMZBOCLSA-N 0 2 305.271 3.624 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000855485677 1022640279 /nfs/dbraw/zinc/64/02/79/1022640279.db2.gz GQHYHMDMSFEIIH-GHMZBOCLSA-N 0 2 305.271 3.624 20 0 DHADLN C[C@@H](NC(=O)C(F)(F)F)[C@@H](C)c1ccccc1C(F)(F)F ZINC000767123384 1022649039 /nfs/dbraw/zinc/64/90/39/1022649039.db2.gz OVWBQUUBJNJMKV-HTQZYQBOSA-N 0 2 313.241 3.876 20 0 DHADLN CC(C)c1csc(C(C#N)C(=O)c2cccc(Cl)n2)n1 ZINC000181168782 1022970294 /nfs/dbraw/zinc/97/02/94/1022970294.db2.gz JMMNKXQCTKQIHI-VIFPVBQESA-N 0 2 305.790 3.805 20 0 DHADLN Cc1cc(Nc2cccc(Cn3cc[nH+]c3)c2)ccc1C(=O)[O-] ZINC001211657263 1023105664 /nfs/dbraw/zinc/10/56/64/1023105664.db2.gz IWTMIRUJCBCGFF-UHFFFAOYSA-N 0 2 307.353 3.682 20 0 DHADLN Cc1ccc2c(c1)N(C(=O)c1cccc(C(F)(F)F)c1O)CC2 ZINC000622336486 1023118091 /nfs/dbraw/zinc/11/80/91/1023118091.db2.gz QKGFNVNMXKQKMT-UHFFFAOYSA-N 0 2 321.298 3.922 20 0 DHADLN Oc1c(Cl)cccc1-c1nc(-c2ccc3cc[nH]c3n2)no1 ZINC000771412298 1023428335 /nfs/dbraw/zinc/42/83/35/1023428335.db2.gz XQSORMIEPQZXTO-UHFFFAOYSA-N 0 2 312.716 3.639 20 0 DHADLN CC(C)[C@H](NC(=O)C(F)(F)c1ccccc1F)C(F)(F)F ZINC000787536571 1023800286 /nfs/dbraw/zinc/80/02/86/1023800286.db2.gz LUSFBTQLSNMWJM-JTQLQIEISA-N 0 2 313.241 3.621 20 0 DHADLN Cc1ccc(C)c(NS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000048652038 1023801095 /nfs/dbraw/zinc/80/10/95/1023801095.db2.gz VQRFXNOHKGPTSZ-UHFFFAOYSA-N 0 2 313.781 3.897 20 0 DHADLN CC1(C)CN(C(=O)c2cc(F)cc(Cl)c2O)[C@@H]2CCC[C@@H]21 ZINC000452161604 1023992431 /nfs/dbraw/zinc/99/24/31/1023992431.db2.gz XULOAJAGHSGJHP-WCQYABFASA-N 0 2 311.784 3.835 20 0 DHADLN Cc1cccc2c(=O)c(C(=O)N(C)[C@H](C)c3ccco3)c[nH]c12 ZINC000162029514 1024143472 /nfs/dbraw/zinc/14/34/72/1024143472.db2.gz OYDUANCDCVSSSC-GFCCVEGCSA-N 0 2 310.353 3.675 20 0 DHADLN Cc1ccc(Cl)cc1S(=O)(=O)Nc1cccc2ocnc21 ZINC000790004919 1024202727 /nfs/dbraw/zinc/20/27/27/1024202727.db2.gz KJUZUSNKBXSDOL-UHFFFAOYSA-N 0 2 322.773 3.590 20 0 DHADLN O=S(=O)(Nc1ccc2nc(C3CC3)sc2c1)c1ccoc1 ZINC000349988143 1024778303 /nfs/dbraw/zinc/77/83/03/1024778303.db2.gz CIYYHFQVDVAJKV-UHFFFAOYSA-N 0 2 320.395 3.568 20 0 DHADLN O=S(=O)(Nc1cc(F)ccc1O)c1csc2ccccc21 ZINC000350871003 1024861089 /nfs/dbraw/zinc/86/10/89/1024861089.db2.gz ORVHONWIEUAJEG-UHFFFAOYSA-N 0 2 323.370 3.547 20 0 DHADLN C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccnc1Cl ZINC000120881576 1025061065 /nfs/dbraw/zinc/06/10/65/1025061065.db2.gz UKWGWZRPPQBFSV-GFCCVEGCSA-N 0 2 321.827 3.787 20 0 DHADLN O=C(NOC/C=C\Cl)C1(c2cccc(F)c2)CCCCC1 ZINC000794289794 1025249729 /nfs/dbraw/zinc/24/97/29/1025249729.db2.gz HHQJIACLTIJXPB-YHYXMXQVSA-N 0 2 311.784 3.828 20 0 DHADLN Cc1n[nH]c(C(C)C)c1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000353887082 1025280020 /nfs/dbraw/zinc/28/00/20/1025280020.db2.gz HYRLROKXSVIAEJ-UHFFFAOYSA-N 0 2 311.744 3.592 20 0 DHADLN C[C@]1(Cc2cccs2)CCCN1C(=O)C(F)C(F)(F)F ZINC000885252689 1025298304 /nfs/dbraw/zinc/29/83/04/1025298304.db2.gz DQZJLPQEHDQQRT-ZYHUDNBSSA-N 0 2 309.328 3.572 20 0 DHADLN 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3.781 20 0 DHADLN O=c1cc(-c2ccc(Cl)cc2)[nH]n1Cc1ccc(F)c(F)c1 ZINC000614186452 1025836338 /nfs/dbraw/zinc/83/63/38/1025836338.db2.gz AQIFPCFTJQWSJT-UHFFFAOYSA-N 0 2 320.726 3.755 20 0 DHADLN CCCCC[NH2+][C@H](c1nnc[nH]1)c1cccc(C(F)(F)F)c1 ZINC000136696631 1025872005 /nfs/dbraw/zinc/87/20/05/1025872005.db2.gz YZSPFIPMNCSHJR-ZDUSSCGKSA-N 0 2 312.339 3.693 20 0 DHADLN O=C(NCc1ccc(OC2CCCC2)cc1)C(F)C(F)(F)F ZINC000289879148 1026215378 /nfs/dbraw/zinc/21/53/78/1026215378.db2.gz RAZVELKWJSZJIP-CYBMUJFWSA-N 0 2 319.298 3.525 20 0 DHADLN O=C(NCc1ccc(OC2CCCC2)cc1)[C@@H](F)C(F)(F)F ZINC000289879148 1026215414 /nfs/dbraw/zinc/21/54/14/1026215414.db2.gz RAZVELKWJSZJIP-CYBMUJFWSA-N 0 2 319.298 3.525 20 0 DHADLN CCOc1ccccc1[C@@H](CC)NC(=O)C(F)C(F)(F)F ZINC000810306395 1026746847 /nfs/dbraw/zinc/74/68/47/1026746847.db2.gz HDAMMMURRKIXFL-PWSUYJOCSA-N 0 2 307.287 3.553 20 0 DHADLN CCOc1ccccc1[C@@H](CC)NC(=O)[C@H](F)C(F)(F)F ZINC000810306395 1026746857 /nfs/dbraw/zinc/74/68/57/1026746857.db2.gz HDAMMMURRKIXFL-PWSUYJOCSA-N 0 2 307.287 3.553 20 0 DHADLN CC(C)(C)CN(Cc1ccccc1)C(=O)C(F)C(F)(F)F ZINC000810346706 1026751434 /nfs/dbraw/zinc/75/14/34/1026751434.db2.gz GRZFVTVQRCIBSA-LBPRGKRZSA-N 0 2 305.315 3.962 20 0 DHADLN CC(C)(C)CN(Cc1ccccc1)C(=O)[C@H](F)C(F)(F)F ZINC000810346706 1026751441 /nfs/dbraw/zinc/75/14/41/1026751441.db2.gz GRZFVTVQRCIBSA-LBPRGKRZSA-N 0 2 305.315 3.962 20 0 DHADLN C[C@@H](NC(=O)C(F)C(F)(F)F)c1csc2ccccc21 ZINC000810356746 1026751928 /nfs/dbraw/zinc/75/19/28/1026751928.db2.gz NZHMNYBGJYAYKP-RDDDGLTNSA-N 0 2 305.296 3.979 20 0 DHADLN C[C@@H](NC(=O)[C@@H](F)C(F)(F)F)c1csc2ccccc21 ZINC000810356746 1026751934 /nfs/dbraw/zinc/75/19/34/1026751934.db2.gz NZHMNYBGJYAYKP-RDDDGLTNSA-N 0 2 305.296 3.979 20 0 DHADLN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)C(F)C(F)(F)F ZINC000810414248 1026756689 /nfs/dbraw/zinc/75/66/89/1026756689.db2.gz ZFWTZEDASRRLRD-WDEREUQCSA-N 0 2 311.706 3.678 20 0 DHADLN CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](F)C(F)(F)F ZINC000810414248 1026756702 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CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@@H](F)C(F)(F)F)CC2 ZINC000811230612 1026957872 /nfs/dbraw/zinc/95/78/72/1026957872.db2.gz QHWNYWPCUKCCRU-QWHCGFSZSA-N 0 2 303.299 3.814 20 0 DHADLN C[C@@]1(c2ccccc2)CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000811523408 1027020630 /nfs/dbraw/zinc/02/06/30/1027020630.db2.gz WXGJBBWKUSKBPJ-UKRRQHHQSA-N 0 2 317.326 3.857 20 0 DHADLN C[C@@]1(c2ccccc2)CCCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000811523408 1027020633 /nfs/dbraw/zinc/02/06/33/1027020633.db2.gz WXGJBBWKUSKBPJ-UKRRQHHQSA-N 0 2 317.326 3.857 20 0 DHADLN CC1(C)CCc2sc(NC(=O)c3cc(F)c(O)c(F)c3)nc21 ZINC000421935980 1027085860 /nfs/dbraw/zinc/08/58/60/1027085860.db2.gz APHOGLYJHWXGFF-UHFFFAOYSA-N 0 2 324.352 3.603 20 0 DHADLN O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)C(F)C(F)(F)F ZINC000295647210 1027374271 /nfs/dbraw/zinc/37/42/71/1027374271.db2.gz GDQXPNIVPCIILU-RWMBFGLXSA-N 0 2 303.299 3.587 20 0 DHADLN O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)[C@@H](F)C(F)(F)F ZINC000295647210 1027374290 /nfs/dbraw/zinc/37/42/90/1027374290.db2.gz 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ZINC001136275160 1029620837 /nfs/dbraw/zinc/62/08/37/1029620837.db2.gz WXYIJHYZROOJPS-UHFFFAOYSA-N 0 2 307.296 3.710 20 0 DHADLN CCC[C@H](CC(C)C)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000451529717 1029891018 /nfs/dbraw/zinc/89/10/18/1029891018.db2.gz HASUJMMDQWNULT-CYBMUJFWSA-N 0 2 316.405 3.578 20 0 DHADLN CC1(C)Cc2cccc(NC(=O)c3cc(F)c(O)c(F)c3)c2O1 ZINC000530564604 1029891987 /nfs/dbraw/zinc/89/19/87/1029891987.db2.gz QHVPCCVNTZZULI-UHFFFAOYSA-N 0 2 319.307 3.636 20 0 DHADLN O=S(=O)(Nc1cc(C2CC2)ccn1)c1ccc2ccccc2c1 ZINC000357524770 1030088236 /nfs/dbraw/zinc/08/82/36/1030088236.db2.gz CRXWMCATFMTYMP-UHFFFAOYSA-N 0 2 324.405 3.913 20 0 DHADLN CC(C)(C(=O)NO[C@H]1CCCCO1)c1cccc2ccccc21 ZINC000822925032 1030162266 /nfs/dbraw/zinc/16/22/66/1030162266.db2.gz WEBZLJUGPOUNRB-KRWDZBQOSA-N 0 2 313.397 3.692 20 0 DHADLN O=C(NOC1CCCCC1)C1(c2ccnc3ccccc32)CC1 ZINC000867548014 1030462313 /nfs/dbraw/zinc/46/23/13/1030462313.db2.gz NKQPNARFUDKDPE-UHFFFAOYSA-N 0 2 310.397 3.647 20 0 DHADLN CCc1ccc(C(=O)N=[S@](C)(=O)C2CCCCC2)c(O)c1 ZINC000926022489 1030580373 /nfs/dbraw/zinc/58/03/73/1030580373.db2.gz PEPSTIYQHKZZHV-OAQYLSRUSA-N 0 2 309.431 3.525 20 0 DHADLN C[C@@H]1CN(C(=O)C(F)C(F)(F)F)CCc2ccc(Cl)cc21 ZINC000844840118 1031375519 /nfs/dbraw/zinc/37/55/19/1031375519.db2.gz FNMCONYHAWLIPR-PELKAZGASA-N 0 2 323.717 3.729 20 0 DHADLN C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)CCc2ccc(Cl)cc21 ZINC000844840118 1031375533 /nfs/dbraw/zinc/37/55/33/1031375533.db2.gz FNMCONYHAWLIPR-PELKAZGASA-N 0 2 323.717 3.729 20 0 DHADLN Cc1cc(-c2cc(=O)n(C[C@@H]3CCCC3(F)F)[nH]2)ccc1F ZINC000871964428 1031388655 /nfs/dbraw/zinc/38/86/55/1031388655.db2.gz ZCXLQMPREXGEMM-LBPRGKRZSA-N 0 2 310.319 3.506 20 0 DHADLN Cc1ccc2c(c1)CN(C(=O)C(F)C(F)(F)F)C(C)(C)C2 ZINC000294080459 1031791203 /nfs/dbraw/zinc/79/12/03/1031791203.db2.gz ILWPOCMJOFEYAT-LBPRGKRZSA-N 0 2 303.299 3.559 20 0 DHADLN Cc1ccc2c(c1)CN(C(=O)[C@H](F)C(F)(F)F)C(C)(C)C2 ZINC000294080459 1031791221 /nfs/dbraw/zinc/79/12/21/1031791221.db2.gz ILWPOCMJOFEYAT-LBPRGKRZSA-N 0 2 303.299 3.559 20 0 DHADLN Cc1cccc2c(=O)c(C(=O)N3CCC[C@H]4CCCC[C@@H]43)c[nH]c12 ZINC000361276896 1031832008 /nfs/dbraw/zinc/83/20/08/1031832008.db2.gz OWXPVMNNXDMRPO-PBHICJAKSA-N 0 2 324.424 3.631 20 0 DHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1ccco1 ZINC000361360529 1031888229 /nfs/dbraw/zinc/88/82/29/1031888229.db2.gz RWKMJBJHAHOSOO-UHFFFAOYSA-N 0 2 323.139 3.624 20 0 DHADLN FC(F)(F)c1cnc(-c2nc(-c3cccc4occc43)no2)[nH]1 ZINC001212689434 1033461626 /nfs/dbraw/zinc/46/16/26/1033461626.db2.gz DVMCULXETGZJHO-UHFFFAOYSA-N 0 2 320.230 3.892 20 0 DHADLN Cc1ccc(-c2noc(-c3ncc(C(F)(F)F)[nH]3)n2)cc1C ZINC001212689479 1033462031 /nfs/dbraw/zinc/46/20/31/1033462031.db2.gz GXAJEBBFCIGUSL-UHFFFAOYSA-N 0 2 308.263 3.762 20 0 DHADLN Cc1ccc(-c2noc(-c3ncc(C(F)(F)F)[nH]3)n2)c(C)c1 ZINC001212690080 1033462251 /nfs/dbraw/zinc/46/22/51/1033462251.db2.gz WOYIRQXRZSEEAB-UHFFFAOYSA-N 0 2 308.263 3.762 20 0 DHADLN Cc1nocc1Nc1cc(-c2ccc(OC(F)F)cc2)no1 ZINC001212717879 1033633215 /nfs/dbraw/zinc/63/32/15/1033633215.db2.gz RHMVLZVGVXZRJO-UHFFFAOYSA-N 0 2 307.256 3.983 20 0 DHADLN O=C(NOC/C=C\Cl)C1(c2cc(F)cc(F)c2)CCCC1 ZINC000861783254 1033717831 /nfs/dbraw/zinc/71/78/31/1033717831.db2.gz ULOIVPNXZTUGRN-UTCJRWHESA-N 0 2 315.747 3.577 20 0 DHADLN O=c1nc(CSC2=Nc3ccccc3C2)[nH]c2ccsc21 ZINC000118606519 1033732406 /nfs/dbraw/zinc/73/24/06/1033732406.db2.gz OVGBHJMVORFTJU-UHFFFAOYSA-N 0 2 313.407 3.504 20 0 DHADLN O=C(N[C@H](c1ccccn1)C1CCC1)c1cccc(Cl)c1O ZINC000862746365 1033922344 /nfs/dbraw/zinc/92/23/44/1033922344.db2.gz SJQUMQGWXPYSMB-HNNXBMFYSA-N 0 2 316.788 3.712 20 0 DHADLN O=C(NCc1c(Cl)oc2ccccc21)C(F)C(F)(F)F ZINC000862774414 1033928568 /nfs/dbraw/zinc/92/85/68/1033928568.db2.gz BLSCQCDPRBDAOY-SECBINFHSA-N 0 2 309.646 3.603 20 0 DHADLN O=C(NCc1c(Cl)oc2ccccc21)[C@@H](F)C(F)(F)F ZINC000862774414 1033928579 /nfs/dbraw/zinc/92/85/79/1033928579.db2.gz BLSCQCDPRBDAOY-SECBINFHSA-N 0 2 309.646 3.603 20 0 DHADLN Cc1sc(C)c2c1[nH]c(COc1ccccc1C)nc2=O ZINC000864354224 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CC(C)CCOC(=O)Nc1ccc(F)c(Br)c1O ZINC001194880785 1036061161 /nfs/dbraw/zinc/06/11/61/1036061161.db2.gz RSKPKFUZMZJVKR-UHFFFAOYSA-N 0 2 320.158 3.888 20 0 DHADLN CCOc1ccc(CN(C)C(=O)c2cccc(Cl)c2O)cc1 ZINC000775643136 1036160873 /nfs/dbraw/zinc/16/08/73/1036160873.db2.gz MFQOKNUCWYOJGD-UHFFFAOYSA-N 0 2 319.788 3.717 20 0 DHADLN CC(C)CCn1nccc1NC(=O)c1cccc(Cl)c1O ZINC000775644252 1036165328 /nfs/dbraw/zinc/16/53/28/1036165328.db2.gz CBKOACAIVUUCDN-UHFFFAOYSA-N 0 2 307.781 3.541 20 0 DHADLN O=C(NCc1ccc(Cl)s1)c1cccc(Cl)c1O ZINC000775657004 1036262509 /nfs/dbraw/zinc/26/25/09/1036262509.db2.gz SUQGCCHPXWIVQT-UHFFFAOYSA-N 0 2 302.182 3.691 20 0 DHADLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)C1CCC2(CC2)CC1 ZINC001182474891 1036360642 /nfs/dbraw/zinc/36/06/42/1036360642.db2.gz WMTSDEGMWVDWLY-UHFFFAOYSA-N 0 2 314.364 3.520 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2ccc(C3CCC3)nc2)c(F)c1 ZINC001196354244 1036513185 /nfs/dbraw/zinc/51/31/85/1036513185.db2.gz PRFKEBKMOAOHEO-UHFFFAOYSA-N 0 2 320.389 3.597 20 0 DHADLN COc1ccc(F)c(S(=O)(=O)Nc2ccccc2C2CC2)c1 ZINC001196720152 1036597679 /nfs/dbraw/zinc/59/76/79/1036597679.db2.gz ZGBYUCQGZBZSKP-UHFFFAOYSA-N 0 2 321.373 3.513 20 0 DHADLN CO[C@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000495501861 1036691361 /nfs/dbraw/zinc/69/13/61/1036691361.db2.gz LPSSHUBBBFICFI-CABZTGNLSA-N 0 2 318.200 3.843 20 0 DHADLN Cc1ccc2c(c1)O[C@H](C)CN2C(=O)c1cccc(Cl)c1O ZINC000775769201 1036749201 /nfs/dbraw/zinc/74/92/01/1036749201.db2.gz IWONKGSXJIIGFJ-LLVKDONJSA-N 0 2 317.772 3.782 20 0 DHADLN O=C(Nc1c[nH]nc1-c1ccccc1)c1cccc(Cl)c1O ZINC000775782698 1036851294 /nfs/dbraw/zinc/85/12/94/1036851294.db2.gz KSFFLSMMWUKNJQ-UHFFFAOYSA-N 0 2 313.744 3.688 20 0 DHADLN CC[C@@](C)(NC(=O)c1cc(F)c(O)c(F)c1)c1ccccc1 ZINC000762598564 1036866088 /nfs/dbraw/zinc/86/60/88/1036866088.db2.gz QRKQVRVQQHKFAL-QGZVFWFLSA-N 0 2 305.324 3.726 20 0 DHADLN Cc1cc(NS(=O)(=O)c2csc3ccccc32)cnc1F ZINC001186452337 1037401621 /nfs/dbraw/zinc/40/16/21/1037401621.db2.gz QJXVVRZEGDCQLJ-UHFFFAOYSA-N 0 2 322.386 3.545 20 0 DHADLN C[C@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348837395 1037538100 /nfs/dbraw/zinc/53/81/00/1037538100.db2.gz HQPFROHJTQFBHF-YOEHRIQHSA-N 0 2 315.486 3.788 20 0 DHADLN CO[C@H](c1ccccc1F)[C@@H](C)N=c1nc(C(C)(C)C)[nH]s1 ZINC000489927824 1037557221 /nfs/dbraw/zinc/55/72/21/1037557221.db2.gz WPVSYTFZESLCLH-MFKMUULPSA-N 0 2 323.437 3.585 20 0 DHADLN CCCC[C@@H](CC)C[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001201559886 1037777500 /nfs/dbraw/zinc/77/75/00/1037777500.db2.gz OCJFCECHQFBXPS-QGZVFWFLSA-N 0 2 318.509 3.511 20 0 DHADLN N#CC(C(=O)C=Cc1ccccc1F)c1nc2ccccc2o1 ZINC000054734939 1037945747 /nfs/dbraw/zinc/94/57/47/1037945747.db2.gz SQCHWJLCCVUTNS-XPSMFNQNSA-N 0 2 306.296 3.857 20 0 DHADLN COc1cc(-c2noc(-c3cccc(Cl)c3O)n2)ccc1F ZINC000761612321 1037948325 /nfs/dbraw/zinc/94/83/25/1037948325.db2.gz CWVAMQDRRHIYBG-UHFFFAOYSA-N 0 2 320.707 3.910 20 0 DHADLN Cc1cccc(C)c1NS(=O)(=O)c1cc(F)cc(F)c1F ZINC001190347576 1038303429 /nfs/dbraw/zinc/30/34/29/1038303429.db2.gz FJBFHFJYFMEDKU-UHFFFAOYSA-N 0 2 315.316 3.522 20 0 DHADLN C=Cc1cccc(NS(=O)(=O)c2cc(F)cc(F)c2F)c1 ZINC001190392630 1038305862 /nfs/dbraw/zinc/30/58/62/1038305862.db2.gz VEMUVYRLHVQKKQ-UHFFFAOYSA-N 0 2 313.300 3.548 20 0 DHADLN Cc1onc(C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)c1C(=O)[O-] ZINC000572370158 1038368857 /nfs/dbraw/zinc/36/88/57/1038368857.db2.gz HGMWLUHQJBXYGX-AWEZNQCLSA-N 0 2 320.776 3.672 20 0 DHADLN Cc1onc(C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)c1C(=O)[O-] ZINC000572370158 1038368866 /nfs/dbraw/zinc/36/88/66/1038368866.db2.gz HGMWLUHQJBXYGX-AWEZNQCLSA-N 0 2 320.776 3.672 20 0 DHADLN CCCn1nccc1NS(=O)(=O)c1ccc([C@@H](C)CC)cc1 ZINC000589268943 1038456106 /nfs/dbraw/zinc/45/61/06/1038456106.db2.gz FVMFSLQSOOMYRV-ZDUSSCGKSA-N 0 2 321.446 3.607 20 0 DHADLN C[C@H](CC(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccc(F)cc1 ZINC000589935453 1038555806 /nfs/dbraw/zinc/55/58/06/1038555806.db2.gz DKMOIHWUFOCYQN-SNVBAGLBSA-N 0 2 321.421 3.529 20 0 DHADLN CC(C)[C@H](NC(=O)c1c(F)ccc(F)c1O)c1ccc(F)cc1 ZINC001192719043 1038697194 /nfs/dbraw/zinc/69/71/94/1038697194.db2.gz IMUCHLLLSSUKPZ-HNNXBMFYSA-N 0 2 323.314 3.937 20 0 DHADLN CCC1(NC(=O)c2ccc(F)c(F)c2O)CCC(F)(F)CC1 ZINC001192818959 1038703925 /nfs/dbraw/zinc/70/39/25/1038703925.db2.gz VPGBFKDTGSHMTE-UHFFFAOYSA-N 0 2 319.298 3.758 20 0 DHADLN CC(C)(Cc1ccc(F)cc1)NC(=O)c1ccc(O)c(F)c1F ZINC001192840817 1038706932 /nfs/dbraw/zinc/70/69/32/1038706932.db2.gz BWFQEGSBEADCJF-UHFFFAOYSA-N 0 2 323.314 3.561 20 0 DHADLN CC(C)C[C@@H](NC(=O)c1ccc(O)c(F)c1F)c1ccccn1 ZINC001192848268 1038707031 /nfs/dbraw/zinc/70/70/31/1038707031.db2.gz CZYBKXFTQKFBQO-CYBMUJFWSA-N 0 2 320.339 3.583 20 0 DHADLN CC1(CNC(=O)c2cc(F)c(O)cc2F)CCC(F)(F)CC1 ZINC001192888336 1038712163 /nfs/dbraw/zinc/71/21/63/1038712163.db2.gz VKZRXYMFDSFCAB-UHFFFAOYSA-N 0 2 319.298 3.616 20 0 DHADLN Cc1cccc(NC(=O)N=c2nc(C(C)(C)C)[nH]s2)c1C ZINC000604801547 1039547568 /nfs/dbraw/zinc/54/75/68/1039547568.db2.gz IVPBVKKCJKZGRN-UHFFFAOYSA-N 0 2 304.419 3.518 20 0 DHADLN O=C(N[C@H](c1ccccc1)C1CCC1)c1c(O)cc(F)cc1F ZINC000605182591 1039636886 /nfs/dbraw/zinc/63/68/86/1039636886.db2.gz JHDYWWKUBDGCIQ-QGZVFWFLSA-N 0 2 317.335 3.942 20 0 DHADLN C[C@@]1(F)CCN(Cc2ccc(Cl)c(O)c2Cl)C[C@@H]1F ZINC001232625506 1039899158 /nfs/dbraw/zinc/89/91/58/1039899158.db2.gz NFDQNCCFTQROGS-GXFFZTMASA-N 0 2 310.171 3.971 20 0 DHADLN Cc1ccsc1S(=O)(=O)Nc1cccc2c1CCCC2 ZINC000607611543 1040205676 /nfs/dbraw/zinc/20/56/76/1040205676.db2.gz KGPVBTQCSXNCFO-UHFFFAOYSA-N 0 2 307.440 3.736 20 0 DHADLN Cc1csc(CSCc2cccc(C(=O)N(C)C)c2)n1 ZINC000088306554 185245128 /nfs/dbraw/zinc/24/51/28/185245128.db2.gz FRMOPYBCEAKALN-UHFFFAOYSA-N 0 2 306.456 3.587 20 0 DHADLN Cc1csc(CS[C@@H](C)C(=O)NCc2ccc(F)cc2)n1 ZINC000088308755 185245132 /nfs/dbraw/zinc/24/51/32/185245132.db2.gz CKMKIDZSAIOHAX-NSHDSACASA-N 0 2 324.446 3.529 20 0 DHADLN C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000003750643 181044793 /nfs/dbraw/zinc/04/47/93/181044793.db2.gz BAFKZJCXTJKOEE-ZJUUUORDSA-N 0 2 302.201 3.851 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ZINC000371789453 526614772 /nfs/dbraw/zinc/61/47/72/526614772.db2.gz RWQYJFKZEGPLQS-SKDRFNHKSA-N 0 2 313.319 3.604 20 0 DHADLN CC[N@H+](Cc1cccc(C(=O)[O-])c1)Cc1c(F)cccc1F ZINC000737103271 599719293 /nfs/dbraw/zinc/71/92/93/599719293.db2.gz GBERUNWVZFLUFZ-UHFFFAOYSA-N 0 2 305.324 3.685 20 0 DHADLN CC[N@@H+](Cc1cccc(C(=O)[O-])c1)Cc1c(F)cccc1F ZINC000737103271 599719294 /nfs/dbraw/zinc/71/92/94/599719294.db2.gz GBERUNWVZFLUFZ-UHFFFAOYSA-N 0 2 305.324 3.685 20 0 DHADLN C[C@H](c1nc2ccccc2s1)[N@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000571768944 599845679 /nfs/dbraw/zinc/84/56/79/599845679.db2.gz RDQOICVFLJYMGA-SNVBAGLBSA-N 0 2 316.382 3.781 20 0 DHADLN C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cc1cc(C(=O)[O-])co1 ZINC000571768944 599845680 /nfs/dbraw/zinc/84/56/80/599845680.db2.gz RDQOICVFLJYMGA-SNVBAGLBSA-N 0 2 316.382 3.781 20 0 DHADLN C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827934285 601437331 /nfs/dbraw/zinc/43/73/31/601437331.db2.gz DGKORCNGUKSGSU-SDBXPKJASA-N 0 2 306.164 3.553 20 0 DHADLN C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827934285 601437333 /nfs/dbraw/zinc/43/73/33/601437333.db2.gz DGKORCNGUKSGSU-SDBXPKJASA-N 0 2 306.164 3.553 20 0 DHADLN CC(C)Cc1ncc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000833493232 604646454 /nfs/dbraw/zinc/64/64/54/604646454.db2.gz KFEUTTVTOXARDH-MRXNPFEDSA-N 0 2 318.442 3.599 20 0 DHADLN CC(C)Cc1ncc(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC000833493232 604646455 /nfs/dbraw/zinc/64/64/55/604646455.db2.gz KFEUTTVTOXARDH-MRXNPFEDSA-N 0 2 318.442 3.599 20 0 DHADLN COc1ccc(CNc2[nH+]c3ccccc3cc2C)cc1C(=O)[O-] ZINC000832358486 604772704 /nfs/dbraw/zinc/77/27/04/604772704.db2.gz ZURKBEUIRZWYEK-UHFFFAOYSA-N 0 2 322.364 3.862 20 0 DHADLN Cc1ccccc1-c1cnc(C[N@H+](CC(=O)[O-])CC(C)(C)C)o1 ZINC000662227121 954397553 /nfs/dbraw/zinc/39/75/53/954397553.db2.gz XCKRDLJJKXBZPT-UHFFFAOYSA-N 0 2 316.401 3.583 20 0 DHADLN Cc1ccccc1-c1cnc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)o1 ZINC000662227121 954397567 /nfs/dbraw/zinc/39/75/67/954397567.db2.gz XCKRDLJJKXBZPT-UHFFFAOYSA-N 0 2 316.401 3.583 20 0 DHADLN O=C([O-])c1ccc(F)c(C[N@@H+]2CCc3cccc(Cl)c3C2)c1 ZINC001231459542 960610577 /nfs/dbraw/zinc/61/05/77/960610577.db2.gz CVSFQKDOWZVMNK-UHFFFAOYSA-N 0 2 319.763 3.736 20 0 DHADLN O=C([O-])c1ccc(F)c(C[N@H+]2CCc3cccc(Cl)c3C2)c1 ZINC001231459542 960610593 /nfs/dbraw/zinc/61/05/93/960610593.db2.gz CVSFQKDOWZVMNK-UHFFFAOYSA-N 0 2 319.763 3.736 20 0 DHADLN CC[C@H](C)[N@H+](CC(=O)[O-])Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000236967345 960816291 /nfs/dbraw/zinc/81/62/91/960816291.db2.gz QGCXVUZDYMHEAK-NSHDSACASA-N 0 2 322.792 3.680 20 0 DHADLN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000236967345 960816328 /nfs/dbraw/zinc/81/63/28/960816328.db2.gz QGCXVUZDYMHEAK-NSHDSACASA-N 0 2 322.792 3.680 20 0 DHADLN CN(C(=O)c1cccc(Cl)c1O)c1cccc2cccnc21 ZINC001270509974 1013229237 /nfs/dbraw/zinc/22/92/37/1013229237.db2.gz QVSKSDZUYDHADV-UHFFFAOYSA-N 0 2 312.756 3.870 20 0 DHADLN Cc1ccccc1NC(=O)c1cccc(Br)c1O ZINC000519310807 1013304805 /nfs/dbraw/zinc/30/48/05/1013304805.db2.gz GWSHESHDKNOZIE-UHFFFAOYSA-N 0 2 306.159 3.715 20 0 DHADLN O=C([O-])[C@H]([NH2+]Cc1cnc(C2CCCC2)s1)c1ccccc1 ZINC000263431241 962606768 /nfs/dbraw/zinc/60/67/68/962606768.db2.gz SFRRGPCOYBNRNJ-OAHLLOKOSA-N 0 2 316.426 3.716 20 0 DHADLN N#C[C@H](C(=O)COC1CCCCC1)c1ccc2ccccc2n1 ZINC000048858250 1013518902 /nfs/dbraw/zinc/51/89/02/1013518902.db2.gz RTTWCJIXZGTHJZ-INIZCTEOSA-N 0 2 308.381 3.760 20 0 DHADLN C[C@@H]1CCCC[C@H]1CC(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000520359973 1013720926 /nfs/dbraw/zinc/72/09/26/1013720926.db2.gz JCSXPJJUZFVMAA-OCCSQVGLSA-N 0 2 315.442 3.782 20 0 DHADLN COc1cccc(S(=O)(=O)Nc2ccc(C3CC3)cc2)c1F ZINC000655574385 1013773626 /nfs/dbraw/zinc/77/36/26/1013773626.db2.gz QNWMNOVPCPAMKW-UHFFFAOYSA-N 0 2 321.373 3.513 20 0 DHADLN CC[C@H](C(=O)[O-])[N@H+](C)Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC000923256075 969649562 /nfs/dbraw/zinc/64/95/62/969649562.db2.gz LXOAQMFHQYZIHK-GFCCVEGCSA-N 0 2 324.490 3.688 20 0 DHADLN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC000923256075 969649566 /nfs/dbraw/zinc/64/95/66/969649566.db2.gz LXOAQMFHQYZIHK-GFCCVEGCSA-N 0 2 324.490 3.688 20 0 DHADLN C[C@@H](NC(=O)c1c(O)cc(F)cc1F)C1CCC(F)(F)CC1 ZINC000655340756 1014084473 /nfs/dbraw/zinc/08/44/73/1014084473.db2.gz JFWLMPNRABQLAB-MRVPVSSYSA-N 0 2 319.298 3.614 20 0 DHADLN C[C@H]1C[C@H](c2ccccc2F)[N@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000575065730 974794547 /nfs/dbraw/zinc/79/45/47/974794547.db2.gz XBBDXNDPARBZHZ-IINYFYTJSA-N 0 2 320.389 3.564 20 0 DHADLN C[C@H]1C[C@H](c2ccccc2F)[N@@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000575065730 974794551 /nfs/dbraw/zinc/79/45/51/974794551.db2.gz XBBDXNDPARBZHZ-IINYFYTJSA-N 0 2 320.389 3.564 20 0 DHADLN CC(C)c1nc(C[N@@H+]2CCc3cccc(C(=O)[O-])c3C2)cs1 ZINC000652488448 975556047 /nfs/dbraw/zinc/55/60/47/975556047.db2.gz SXVOFGBWHUOMRV-UHFFFAOYSA-N 0 2 316.426 3.523 20 0 DHADLN CC(C)c1nc(C[N@H+]2CCc3cccc(C(=O)[O-])c3C2)cs1 ZINC000652488448 975556053 /nfs/dbraw/zinc/55/60/53/975556053.db2.gz SXVOFGBWHUOMRV-UHFFFAOYSA-N 0 2 316.426 3.523 20 0 DHADLN Cc1c2cccc(C)c2oc1C[N@@H+](C)[C@@H](C(=O)[O-])c1cccnc1 ZINC000652511100 975570615 /nfs/dbraw/zinc/57/06/15/975570615.db2.gz PFOJWXUYLIXMFP-QGZVFWFLSA-N 0 2 324.380 3.702 20 0 DHADLN Cc1c2cccc(C)c2oc1C[N@H+](C)[C@@H](C(=O)[O-])c1cccnc1 ZINC000652511100 975570628 /nfs/dbraw/zinc/57/06/28/975570628.db2.gz PFOJWXUYLIXMFP-QGZVFWFLSA-N 0 2 324.380 3.702 20 0 DHADLN CC(C)Oc1cccc([C@@H](C)[NH2+][C@H](C)c2nc(C(=O)[O-])co2)c1 ZINC001591791821 975989881 /nfs/dbraw/zinc/98/98/81/975989881.db2.gz PHNHSWSJXPNIRC-VXGBXAGGSA-N 0 2 318.373 3.572 20 0 DHADLN CCCC[C@H](C(=O)[O-])[N@H+](C)Cc1cscc1Br ZINC000709850972 977471778 /nfs/dbraw/zinc/47/17/78/977471778.db2.gz QXXWYVXSJLAJSY-LLVKDONJSA-N 0 2 320.252 3.586 20 0 DHADLN CCCC[C@H](C(=O)[O-])[N@@H+](C)Cc1cscc1Br ZINC000709850972 977471781 /nfs/dbraw/zinc/47/17/81/977471781.db2.gz QXXWYVXSJLAJSY-LLVKDONJSA-N 0 2 320.252 3.586 20 0 DHADLN CC[C@@H]([NH2+][C@H](C)c1cc(C)c(C(=O)[O-])o1)c1nc(C)cs1 ZINC001595278737 980313145 /nfs/dbraw/zinc/31/31/45/980313145.db2.gz IFZWJHQGEBJLFV-GHMZBOCLSA-N 0 2 308.403 3.853 20 0 DHADLN CC[C@@H](Nc1ccc(N2CCCCC2)[nH+]c1)C1(C(=O)[O-])CCC1 ZINC001595318046 980498497 /nfs/dbraw/zinc/49/84/97/980498497.db2.gz GFOZJFNLULXPNN-OAHLLOKOSA-N 0 2 317.433 3.517 20 0 DHADLN COc1c(C)c[nH+]c(CNc2cccc([C@@H](C)C(=O)[O-])c2)c1C ZINC000901815076 980535849 /nfs/dbraw/zinc/53/58/49/980535849.db2.gz IJCMNLKUKUELHW-GFCCVEGCSA-N 0 2 314.385 3.507 20 0 DHADLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1coc2ccccc12 ZINC000113428880 1014690564 /nfs/dbraw/zinc/69/05/64/1014690564.db2.gz MYGXIUPDAAYLLW-UHFFFAOYSA-N 0 2 322.299 3.609 20 0 DHADLN CCCC[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1OC)C(=O)[O-] ZINC001595638768 981950711 /nfs/dbraw/zinc/95/07/11/981950711.db2.gz DYXVPHFDZSRAFX-RHSMWYFYSA-N 0 2 317.385 3.611 20 0 DHADLN CC(C)(C)C[N@H+](CC(=O)[O-])Cc1nc(-c2ccccc2)cs1 ZINC000665350548 1015006797 /nfs/dbraw/zinc/00/67/97/1015006797.db2.gz YEWZJMCKAHXSAV-UHFFFAOYSA-N 0 2 318.442 3.743 20 0 DHADLN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1nc(-c2ccccc2)cs1 ZINC000665350548 1015006809 /nfs/dbraw/zinc/00/68/09/1015006809.db2.gz YEWZJMCKAHXSAV-UHFFFAOYSA-N 0 2 318.442 3.743 20 0 DHADLN CCSCc1ccc[nH+]c1N[C@@H]1CC[C@@H](CC(=O)[O-])[C@H]1C ZINC001597267801 987305977 /nfs/dbraw/zinc/30/59/77/987305977.db2.gz PZCCEIWWALDVIY-MBNYWOFBSA-N 0 2 308.447 3.636 20 0 DHADLN CS[C@@H]1CC[N@@H+]([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001599790036 987991954 /nfs/dbraw/zinc/99/19/54/987991954.db2.gz BHMPNWUTALEDTB-NEPJUHHUSA-N 0 2 320.241 3.556 20 0 DHADLN CS[C@@H]1CC[N@H+]([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001599790036 987991960 /nfs/dbraw/zinc/99/19/60/987991960.db2.gz BHMPNWUTALEDTB-NEPJUHHUSA-N 0 2 320.241 3.556 20 0 DHADLN CCc1cn(Cc2c(C(=O)[O-])sc3cccc(F)c32)c[nH+]1 ZINC001597626408 988576539 /nfs/dbraw/zinc/57/65/39/988576539.db2.gz QNNPXFLDQCITES-UHFFFAOYSA-N 0 2 304.346 3.546 20 0 DHADLN CC(C)(C)n1c(NCc2ccc(C(=O)[O-])o2)[nH+]c2ccccc21 ZINC001590588778 990239374 /nfs/dbraw/zinc/23/93/74/990239374.db2.gz LTNIOHCWYYWVRN-UHFFFAOYSA-N 0 2 313.357 3.695 20 0 DHADLN CCC(CC)(C(=O)NOCC(F)F)c1ccc(Cl)cc1 ZINC000759335937 1015564514 /nfs/dbraw/zinc/56/45/14/1015564514.db2.gz DKHSYKVVIOIZAM-UHFFFAOYSA-N 0 2 305.752 3.711 20 0 DHADLN CN(C)c1ccc([NH2+]CCC(C)(C)C(=O)[O-])cc1C(F)(F)F ZINC001598325147 991342389 /nfs/dbraw/zinc/34/23/89/991342389.db2.gz HRDOUGLFGBQHNI-UHFFFAOYSA-N 0 2 318.339 3.684 20 0 DHADLN Cc1ccc(C)c(S(O)=CC(=O)N[C@@H](C)CCCC(C)C)c1 ZINC000341804899 1015742023 /nfs/dbraw/zinc/74/20/23/1015742023.db2.gz OLFIXJXVKQQEFW-AOMKIAJQSA-N 0 2 323.502 3.742 20 0 DHADLN Cc1ccc(C)c(S(O)=CC(=O)N[C@@H](C)CCCC(C)C)c1 ZINC000341804914 1015742145 /nfs/dbraw/zinc/74/21/45/1015742145.db2.gz OLFIXJXVKQQEFW-KSFYIVLOSA-N 0 2 323.502 3.742 20 0 DHADLN Cc1ccc(S(O)=CC(=O)N[C@H](C)CCCC(C)C)c(C)c1 ZINC000341833860 1015761397 /nfs/dbraw/zinc/76/13/97/1015761397.db2.gz LSSWTXHLANVSJM-OPAMFIHVSA-N 0 2 323.502 3.742 20 0 DHADLN COc1ccc([NH2+][C@@H]2CCC[C@H](CCCC(=O)[O-])C2)c(OC)c1 ZINC001599597395 993766457 /nfs/dbraw/zinc/76/64/57/993766457.db2.gz MBMJRVVXTHVUIL-ZIAGYGMSSA-N 0 2 321.417 3.929 20 0 DHADLN C[C@@H]([NH2+][C@H](C)c1cccc(C2CC2)c1)c1nc(C(=O)[O-])co1 ZINC001593203235 994184971 /nfs/dbraw/zinc/18/49/71/994184971.db2.gz CIIZPQMBYIYGHF-GHMZBOCLSA-N 0 2 300.358 3.662 20 0 DHADLN C[C@H]([NH2+][C@@H](C)c1nc(C(=O)[O-])co1)c1csc2ccccc21 ZINC001593203664 994188307 /nfs/dbraw/zinc/18/83/07/994188307.db2.gz GAGHJBPSCWZBBJ-UWVGGRQHSA-N 0 2 316.382 3.999 20 0 DHADLN C[C@@H](Nc1ccc(N2CCCC2)[nH+]c1)c1cc(C(=O)[O-])cs1 ZINC001593362830 995033896 /nfs/dbraw/zinc/03/38/96/995033896.db2.gz LVWZICYRONINPH-LLVKDONJSA-N 0 2 317.414 3.615 20 0 DHADLN CC1=C(C)C[N@@H+]([C@H](C(=O)[O-])c2ccccc2Br)CC1 ZINC001594110100 998204181 /nfs/dbraw/zinc/20/41/81/998204181.db2.gz PWCDMFPKSRRFMK-AWEZNQCLSA-N 0 2 324.218 3.617 20 0 DHADLN CC1=C(C)C[N@H+]([C@H](C(=O)[O-])c2ccccc2Br)CC1 ZINC001594110100 998204193 /nfs/dbraw/zinc/20/41/93/998204193.db2.gz PWCDMFPKSRRFMK-AWEZNQCLSA-N 0 2 324.218 3.617 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@@H]1c1ccccc1Cl ZINC000277387406 1016268449 /nfs/dbraw/zinc/26/84/49/1016268449.db2.gz KCJPUBKELPFGAG-GHMZBOCLSA-N 0 2 309.690 3.904 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCC[C@@H]1c1ccccc1Cl ZINC000277387406 1016268458 /nfs/dbraw/zinc/26/84/58/1016268458.db2.gz KCJPUBKELPFGAG-GHMZBOCLSA-N 0 2 309.690 3.904 20 0 DHADLN CCc1ncsc1NC(=O)c1cccc(C(F)(F)F)c1O ZINC000622455834 1016413336 /nfs/dbraw/zinc/41/33/36/1016413336.db2.gz CYZAHACJGCBPSF-UHFFFAOYSA-N 0 2 316.304 3.682 20 0 DHADLN CCN(Cc1nc(=O)c2sccc2[nH]1)c1cc(C)cc(C)c1 ZINC000171631338 1016582915 /nfs/dbraw/zinc/58/29/15/1016582915.db2.gz BDFNCOXDSDCJIZ-UHFFFAOYSA-N 0 2 313.426 3.628 20 0 DHADLN Cc1cc(Nc2cccc(Cn3cc[nH+]c3)c2)cc(C(=O)[O-])c1 ZINC001211544535 1016726342 /nfs/dbraw/zinc/72/63/42/1016726342.db2.gz DDZPXGMJFYQORU-UHFFFAOYSA-N 0 2 307.353 3.682 20 0 DHADLN CSc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1Cl ZINC000083020771 1032182697 /nfs/dbraw/zinc/18/26/97/1032182697.db2.gz CTKGCHILCFPLOY-UHFFFAOYSA-N 0 2 318.789 3.586 20 0 DHADLN O=S(=O)(Nc1scnc1-c1ccccc1)c1ccccc1 ZINC000091055164 1032427979 /nfs/dbraw/zinc/42/79/79/1032427979.db2.gz BVUUHZJCODMABQ-UHFFFAOYSA-N 0 2 316.407 3.611 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000290444855 1012908512 /nfs/dbraw/zinc/90/85/12/1012908512.db2.gz SDEHZEJXMYDGEN-RYUDHWBXSA-N 0 2 307.262 3.780 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000290444855 1012908527 /nfs/dbraw/zinc/90/85/27/1012908527.db2.gz SDEHZEJXMYDGEN-RYUDHWBXSA-N 0 2 307.262 3.780 20 0 DHADLN O=S(=O)(Nc1ccc2ccccc2c1)c1ccc(F)cc1F ZINC000007053598 1013007001 /nfs/dbraw/zinc/00/70/01/1013007001.db2.gz XGQWMGDBSWIBNE-UHFFFAOYSA-N 0 2 319.332 3.919 20 0 DHADLN CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000623821074 1017519851 /nfs/dbraw/zinc/51/98/51/1017519851.db2.gz FDVNCPSWSSBXFD-UHFFFAOYSA-N 0 2 323.362 3.542 20 0 DHADLN Cc1csc(C(C#N)C(=O)[C@H](C)c2cn(C)c3ccccc23)n1 ZINC000186985688 1017752035 /nfs/dbraw/zinc/75/20/35/1017752035.db2.gz BCWUCKOANBMOHY-OCCSQVGLSA-N 0 2 323.421 3.923 20 0 DHADLN Cc1csc([C@@H](C#N)C(=O)[C@H](C)c2cn(C)c3ccccc23)n1 ZINC000186985688 1017752047 /nfs/dbraw/zinc/75/20/47/1017752047.db2.gz BCWUCKOANBMOHY-OCCSQVGLSA-N 0 2 323.421 3.923 20 0 DHADLN CN(CCC1CCCCC1)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000523927751 1017827068 /nfs/dbraw/zinc/82/70/68/1017827068.db2.gz NOAYIDVVCYIVRB-UHFFFAOYSA-N 0 2 324.494 3.692 20 0 DHADLN O=C(Nc1ccc2[nH+]ccn2c1)c1c([O-])cc(Cl)cc1Cl ZINC000674326236 1017952945 /nfs/dbraw/zinc/95/29/45/1017952945.db2.gz KFTPHAXCIOWCPR-UHFFFAOYSA-N 0 2 322.151 3.599 20 0 DHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1ccnc(F)c1F ZINC000701150150 1017998364 /nfs/dbraw/zinc/99/83/64/1017998364.db2.gz HCGAEZBPDIJBAQ-UHFFFAOYSA-N 0 2 319.094 3.625 20 0 DHADLN O=C(N[C@@H]1CCCC[C@H]1Cc1ccccc1)C(F)C(F)(F)F ZINC000764493470 1018296332 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CC(C)[N@@H+](CC(=O)[O-])Cc1nc(-c2ccccc2Cl)cs1 ZINC000263559041 1022908779 /nfs/dbraw/zinc/90/87/79/1022908779.db2.gz AQAMZLGDGLZMHF-UHFFFAOYSA-N 0 2 324.833 3.759 20 0 DHADLN CCC1(CC)CN(C(=O)c2cccc(Cl)c2O)CCS1 ZINC000768539741 1022985561 /nfs/dbraw/zinc/98/55/61/1022985561.db2.gz PWJBMAWHNZBKIW-UHFFFAOYSA-N 0 2 313.850 3.793 20 0 DHADLN Cc1ccc2c(c1)CCN2C(=O)c1cccc(C(F)(F)F)c1O ZINC000857480351 1023018734 /nfs/dbraw/zinc/01/87/34/1023018734.db2.gz FSICAHYFZGYZLX-UHFFFAOYSA-N 0 2 321.298 3.922 20 0 DHADLN CC(C)(C)c1nc(=NC(=O)c2cccc(C(C)(C)C)c2)s[nH]1 ZINC000622350641 1023124130 /nfs/dbraw/zinc/12/41/30/1023124130.db2.gz NQCFBHRWWKWEOP-UHFFFAOYSA-N 0 2 317.458 3.807 20 0 DHADLN CC(C)OCCCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000133495747 1033133211 /nfs/dbraw/zinc/13/32/11/1033133211.db2.gz HCWUAGPYYMDEPN-UHFFFAOYSA-N 0 2 306.189 3.843 20 0 DHADLN C[C@@H]1CC[C@@H](C(=O)[O-])CN1c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000662893169 1023652545 /nfs/dbraw/zinc/65/25/45/1023652545.db2.gz 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C[C@@H]([NH2+][C@H](CN1CCCC1)c1ccccc1)c1cncc(F)c1 ZINC000120864460 1025062345 /nfs/dbraw/zinc/06/23/45/1025062345.db2.gz LQGQEJMQPWUZRA-DNVCBOLYSA-N 0 2 313.420 3.708 20 0 DHADLN COc1ccc([C@@H](NC(=O)C(F)C(F)(F)F)C2CCC2)cc1 ZINC000885404123 1025321545 /nfs/dbraw/zinc/32/15/45/1025321545.db2.gz JRKXCBOENCBBRU-QWHCGFSZSA-N 0 2 319.298 3.553 20 0 DHADLN COc1ccc([C@@H](NC(=O)[C@@H](F)C(F)(F)F)C2CCC2)cc1 ZINC000885404123 1025321554 /nfs/dbraw/zinc/32/15/54/1025321554.db2.gz JRKXCBOENCBBRU-QWHCGFSZSA-N 0 2 319.298 3.553 20 0 DHADLN CCc1nc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(C)o1 ZINC000354417791 1025426979 /nfs/dbraw/zinc/42/69/79/1025426979.db2.gz XCEWKIHHVGTTPY-UHFFFAOYSA-N 0 2 315.156 3.810 20 0 DHADLN O=C(c1cccc(Cl)c1O)N1Cc2cccc(Cl)c2C1 ZINC000807816920 1026121813 /nfs/dbraw/zinc/12/18/13/1026121813.db2.gz OWSUEPVZFIQMOU-UHFFFAOYSA-N 0 2 308.164 3.855 20 0 DHADLN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(F)C(F)(F)F ZINC000809957956 1026650221 /nfs/dbraw/zinc/65/02/21/1026650221.db2.gz FHCNKFKKUVQOBS-LBPRGKRZSA-N 0 2 305.315 3.843 20 0 DHADLN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@H](F)C(F)(F)F ZINC000809957956 1026650237 /nfs/dbraw/zinc/65/02/37/1026650237.db2.gz FHCNKFKKUVQOBS-LBPRGKRZSA-N 0 2 305.315 3.843 20 0 DHADLN CC(C)Oc1ccccc1[C@H](C)NC(=O)C(F)C(F)(F)F ZINC000810149653 1026695391 /nfs/dbraw/zinc/69/53/91/1026695391.db2.gz CZYGAQSVZYQMPJ-CABZTGNLSA-N 0 2 307.287 3.551 20 0 DHADLN CC(C)Oc1ccccc1[C@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC000810149653 1026695396 /nfs/dbraw/zinc/69/53/96/1026695396.db2.gz CZYGAQSVZYQMPJ-CABZTGNLSA-N 0 2 307.287 3.551 20 0 DHADLN Cc1c2ccccc2oc1[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC000810163160 1026697703 /nfs/dbraw/zinc/69/77/03/1026697703.db2.gz KXDPLDLAVJXIBX-PELKAZGASA-N 0 2 303.255 3.819 20 0 DHADLN Cc1c2ccccc2oc1[C@@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC000810163160 1026697709 /nfs/dbraw/zinc/69/77/09/1026697709.db2.gz KXDPLDLAVJXIBX-PELKAZGASA-N 0 2 303.255 3.819 20 0 DHADLN Cc1c2ccccc2oc1[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC000810163161 1026697995 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O=C([C@H](F)C(F)(F)F)N1CCCC[C@@H]1CCc1ccccc1 ZINC000810783857 1026847076 /nfs/dbraw/zinc/84/70/76/1026847076.db2.gz HXBDHCFSQXWOAA-KGLIPLIRSA-N 0 2 317.326 3.901 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCCC[C@@H]1CCc1ccccc1 ZINC000810783857 1026847072 /nfs/dbraw/zinc/84/70/72/1026847072.db2.gz HXBDHCFSQXWOAA-KGLIPLIRSA-N 0 2 317.326 3.901 20 0 DHADLN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)C(F)C(F)(F)F ZINC000811079287 1026920712 /nfs/dbraw/zinc/92/07/12/1026920712.db2.gz CCBAJCAUMZODGR-ICCXJUOJSA-N 0 2 303.299 3.717 20 0 DHADLN C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)[C@H](F)C(F)(F)F ZINC000811079287 1026920720 /nfs/dbraw/zinc/92/07/20/1026920720.db2.gz CCBAJCAUMZODGR-ICCXJUOJSA-N 0 2 303.299 3.717 20 0 DHADLN CCc1ccc([C@H]2CCCN(C(=O)C(F)C(F)(F)F)C2)cc1 ZINC000811524312 1027019725 /nfs/dbraw/zinc/01/97/25/1027019725.db2.gz ZKDQQXQICDNIEQ-UONOGXRCSA-N 0 2 317.326 3.855 20 0 DHADLN CCc1ccc([C@H]2CCCN(C(=O)[C@@H](F)C(F)(F)F)C2)cc1 ZINC000811524312 1027019736 /nfs/dbraw/zinc/01/97/36/1027019736.db2.gz ZKDQQXQICDNIEQ-UONOGXRCSA-N 0 2 317.326 3.855 20 0 DHADLN C[C@]1(c2ccccc2)CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000811523409 1027019803 /nfs/dbraw/zinc/01/98/03/1027019803.db2.gz WXGJBBWKUSKBPJ-ZFWWWQNUSA-N 0 2 317.326 3.857 20 0 DHADLN C[C@]1(c2ccccc2)CCCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000811523409 1027019812 /nfs/dbraw/zinc/01/98/12/1027019812.db2.gz WXGJBBWKUSKBPJ-ZFWWWQNUSA-N 0 2 317.326 3.857 20 0 DHADLN CCC[C@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C1CCCCC1 ZINC000572804513 1027231280 /nfs/dbraw/zinc/23/12/80/1027231280.db2.gz HVMLXUPUAFRPGH-PWSUYJOCSA-N 0 2 315.401 3.606 20 0 DHADLN CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1cc(F)c(O)c(F)c1 ZINC000812423976 1027276419 /nfs/dbraw/zinc/27/64/19/1027276419.db2.gz AOBFLBCXZNZKNM-QWRGUYRKSA-N 0 2 313.344 3.500 20 0 DHADLN CN(C)c1ccc(F)cc1NC(=O)c1cccc(Cl)c1O ZINC001133399745 1027370158 /nfs/dbraw/zinc/37/01/58/1027370158.db2.gz IIRWGKRUPBMLQW-UHFFFAOYSA-N 0 2 308.740 3.503 20 0 DHADLN CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)c1ccsc1 ZINC000296120399 1027547351 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RHJMBOJTDZNNFR-UHFFFAOYSA-N 0 2 301.773 3.553 20 0 DHADLN O=C(c1cccc(Cl)c1O)N(CCC(F)(F)F)CC1CC1 ZINC000775769966 1036764010 /nfs/dbraw/zinc/76/40/10/1036764010.db2.gz ARBBPSIIAJESTJ-UHFFFAOYSA-N 0 2 321.726 3.850 20 0 DHADLN Cc1cccc(CC2CN(C(=O)c3cccc(Cl)c3O)C2)c1 ZINC000775770810 1036766667 /nfs/dbraw/zinc/76/66/67/1036766667.db2.gz RVLTUKJIAWXUDW-UHFFFAOYSA-N 0 2 315.800 3.669 20 0 DHADLN O=C(c1cccc(Cl)c1O)N(CC(F)F)CC1CCC1 ZINC000775804603 1036911327 /nfs/dbraw/zinc/91/13/27/1036911327.db2.gz WBWOZORBNDRPTH-UHFFFAOYSA-N 0 2 303.736 3.553 20 0 DHADLN CC(=CC(=O)Nc1nc(-c2ccccc2F)n[nH]1)C(C)(C)C ZINC000762801685 1036949807 /nfs/dbraw/zinc/94/98/07/1036949807.db2.gz BROVQDUFPBIDOJ-MDZDMXLPSA-N 0 2 302.353 3.542 20 0 DHADLN Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)c(C)n1 ZINC000220323278 1037930321 /nfs/dbraw/zinc/93/03/21/1037930321.db2.gz IWOFXEPCJAOXTJ-UHFFFAOYSA-N 0 2 311.168 3.963 20 0 DHADLN O=S(=O)(Nc1ccccc1-c1ccccc1F)c1ccoc1 ZINC001188608198 1037931690 /nfs/dbraw/zinc/93/16/90/1037931690.db2.gz WDBWEBMHOKXGDG-UHFFFAOYSA-N 0 2 317.341 3.887 20 0 DHADLN O=S(=O)(Cc1ccc(F)cc1F)Nc1cccc2ccoc21 ZINC001189824817 1038223634 /nfs/dbraw/zinc/22/36/34/1038223634.db2.gz OKMFLPLIRJFZKK-UHFFFAOYSA-N 0 2 323.320 3.653 20 0 DHADLN C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)cn1 ZINC000775494306 1038572840 /nfs/dbraw/zinc/57/28/40/1038572840.db2.gz ZJFGSPXSMBTOKF-WFASDCNBSA-N 0 2 306.841 3.697 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2cccc3ccoc32)cnc1Cl ZINC001192576229 1038680821 /nfs/dbraw/zinc/68/08/21/1038680821.db2.gz GEEWWTFCKRDABL-UHFFFAOYSA-N 0 2 322.773 3.590 20 0 DHADLN CC(C)C[C@@H](NC(=O)c1ccc(F)c(F)c1O)c1ccccn1 ZINC001192818123 1038703558 /nfs/dbraw/zinc/70/35/58/1038703558.db2.gz MFJMDXJQPMFSDP-CQSZACIVSA-N 0 2 320.339 3.583 20 0 DHADLN O=C(Nc1cc(Cl)cc(Cl)n1)c1cc(F)c(O)cc1F ZINC001192853406 1038709509 /nfs/dbraw/zinc/70/95/09/1038709509.db2.gz RWPGPFZUVZBPCN-UHFFFAOYSA-N 0 2 319.094 3.625 20 0 DHADLN Oc1c(Cl)cccc1-c1nc(Cc2cccc(F)c2)no1 ZINC000761334377 1039116285 /nfs/dbraw/zinc/11/62/85/1039116285.db2.gz ZUBNRBKDAHPFSM-UHFFFAOYSA-N 0 2 304.708 3.826 20 0 DHADLN Cc1ccc(C[C@@H](C)NC(=O)c2c(O)cc(F)cc2F)c(C)c1 ZINC000595704663 1040223330 /nfs/dbraw/zinc/22/33/30/1040223330.db2.gz JYIYPAIITDMYAX-GFCCVEGCSA-N 0 2 319.351 3.648 20 0 DHADLN CC[C@H](CC(=O)N=c1nc(-c2ccsc2)[nH]s1)C(C)C ZINC000596900479 1040587212 /nfs/dbraw/zinc/58/72/12/1040587212.db2.gz RIQASFWUUGZVAX-SNVBAGLBSA-N 0 2 309.460 3.699 20 0 DHADLN Cc1nc(CSCc2c(C)nn(C)c2Cl)sc1C ZINC000088306754 185245064 /nfs/dbraw/zinc/24/50/64/185245064.db2.gz HUKARJWEONITSQ-UHFFFAOYSA-N 0 2 301.868 3.889 20 0 DHADLN CCOC(=O)c1c(CC)c(C)sc1NC(=O)C1CCCC1 ZINC000005477182 181247946 /nfs/dbraw/zinc/24/79/46/181247946.db2.gz CPOCOSRRUJSBEU-UHFFFAOYSA-N 0 2 309.431 3.924 20 0 DHADLN Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(F)c(O)c(F)c2)o1 ZINC000186832453 200018637 /nfs/dbraw/zinc/01/86/37/200018637.db2.gz AWQWFERULPQZNC-AWEZNQCLSA-N 0 2 321.323 3.939 20 0 DHADLN Cc1cc(C)cc([C@@H]([NH2+]Cc2sccc2Cl)C(=O)[O-])c1 ZINC000417566239 334990993 /nfs/dbraw/zinc/99/09/93/334990993.db2.gz QQDSQOCMFCZNJC-CQSZACIVSA-N 0 2 309.818 3.934 20 0 DHADLN Clc1ccc(CC[NH2+][C@H](c2cccs2)c2nnc[nH]2)s1 ZINC000340197065 131133987 /nfs/dbraw/zinc/13/39/87/131133987.db2.gz JEBYOIKPACDMJY-GFCCVEGCSA-N 0 2 324.862 3.503 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000289520708 131392786 /nfs/dbraw/zinc/39/27/86/131392786.db2.gz RPZRBCXMHHUINI-LLVKDONJSA-N 0 2 309.690 3.731 20 0 DHADLN O=C(C(F)C(F)(F)F)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000289520708 131392788 /nfs/dbraw/zinc/39/27/88/131392788.db2.gz RPZRBCXMHHUINI-LLVKDONJSA-N 0 2 309.690 3.731 20 0 DHADLN CON(Cc1nc(=O)c2sccc2[nH]1)C[C@@H]1CCC[C@@H](C)C1 ZINC000298132393 132047287 /nfs/dbraw/zinc/04/72/87/132047287.db2.gz KYRSJHPCFACEHZ-VXGBXAGGSA-N 0 2 321.446 3.587 20 0 DHADLN Cc1nc(C)c(S(=O)(=O)Nc2c(C)cccc2C(C)C)s1 ZINC000179624912 331529184 /nfs/dbraw/zinc/52/91/84/331529184.db2.gz RCGQWOQKWXSECA-UHFFFAOYSA-N 0 2 324.471 3.993 20 0 DHADLN COC(=O)Nc1ccc(NC(=O)c2cc(C)c(C)s2)cc1F ZINC000180611175 331574485 /nfs/dbraw/zinc/57/44/85/331574485.db2.gz TWDGKLZNPOFNIV-UHFFFAOYSA-N 0 2 322.361 3.935 20 0 DHADLN CC(C)(C)c1nc(=Nc2ccc([C@@H]3CCOC3)cc2)s[nH]1 ZINC000558981254 331963555 /nfs/dbraw/zinc/96/35/55/331963555.db2.gz XLPGVUAHNUVPQX-GFCCVEGCSA-N 0 2 303.431 3.505 20 0 DHADLN CCc1ccc([C@@H]([NH2+]Cc2cc3ccccc3o2)C(=O)[O-])cc1 ZINC000426808797 332152167 /nfs/dbraw/zinc/15/21/67/332152167.db2.gz SLPPOVJGZRTGES-GOSISDBHSA-N 0 2 309.365 3.911 20 0 DHADLN CCc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)o1 ZINC000426804139 332155483 /nfs/dbraw/zinc/15/54/83/332155483.db2.gz SCMVCIIPZQJINF-HNNXBMFYSA-N 0 2 307.777 3.719 20 0 DHADLN CCc1nsc(N[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000426905933 332161330 /nfs/dbraw/zinc/16/13/30/332161330.db2.gz XSJLZURIUAJCFJ-GXSJLCMTSA-N 0 2 313.348 3.509 20 0 DHADLN CCc1cccc(Cl)c1C[NH2+][C@H](C)c1ncc(C(=O)[O-])s1 ZINC000566239255 332274024 /nfs/dbraw/zinc/27/40/24/332274024.db2.gz PADQOGYHAWBIML-SECBINFHSA-N 0 2 324.833 3.908 20 0 DHADLN CC(C)(C)CCCC[NH2+][C@@H](c1c[nH]nn1)c1ccc(F)cc1 ZINC000559895972 332290929 /nfs/dbraw/zinc/29/09/29/332290929.db2.gz USWIAUKCBNHQTM-MRXNPFEDSA-N 0 2 304.413 3.839 20 0 DHADLN CCc1cncc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC000562495441 332598758 /nfs/dbraw/zinc/59/87/58/332598758.db2.gz MQIIWLAMQLSRQC-UHFFFAOYSA-N 0 2 311.168 3.909 20 0 DHADLN O=C(NC[C@H]1CCCc2ccccc21)c1cc(F)c(O)c(F)c1 ZINC000177030847 332967697 /nfs/dbraw/zinc/96/76/97/332967697.db2.gz GMLCOCUYZCPZLZ-GFCCVEGCSA-N 0 2 317.335 3.520 20 0 DHADLN CN(C(=O)c1cc(-c2ccccc2)cc(Cl)c1O)C1CC1 ZINC000178485897 333013372 /nfs/dbraw/zinc/01/33/72/333013372.db2.gz CFGKNVPMGXKQRF-UHFFFAOYSA-N 0 2 301.773 3.947 20 0 DHADLN CCN(CCc1ccccc1)C(=O)c1cc(F)cc(Cl)c1O ZINC000178480202 333013818 /nfs/dbraw/zinc/01/38/18/333013818.db2.gz SPRINDJMESUDAW-UHFFFAOYSA-N 0 2 321.779 3.890 20 0 DHADLN O=C(N[C@@H]1CCSc2ccccc21)c1cc(F)c(O)c(F)c1 ZINC000183316878 333055219 /nfs/dbraw/zinc/05/52/19/333055219.db2.gz FVIZKSJUINPBMM-CYBMUJFWSA-N 0 2 321.348 3.637 20 0 DHADLN Cc1ccc2cccc(NC(=O)c3cc(F)c(O)c(F)c3)c2n1 ZINC000183552411 333058954 /nfs/dbraw/zinc/05/89/54/333058954.db2.gz QVAXXZOIICURIQ-UHFFFAOYSA-N 0 2 314.291 3.779 20 0 DHADLN Cc1cc(C)c2c(c1)N(C(=O)c1cc(F)c(O)c(F)c1)CCC2 ZINC000183552610 333059178 /nfs/dbraw/zinc/05/91/78/333059178.db2.gz OJWLWSIHOQRBJS-UHFFFAOYSA-N 0 2 317.335 3.880 20 0 DHADLN CCc1ncc(S(=O)(=O)Nc2cccc(C(C)C)c2)s1 ZINC000460784494 333141093 /nfs/dbraw/zinc/14/10/93/333141093.db2.gz PBOWWBNXWTVYLH-UHFFFAOYSA-N 0 2 310.444 3.630 20 0 DHADLN C[C@@H](CCc1ccccc1)NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000184170766 333343224 /nfs/dbraw/zinc/34/32/24/333343224.db2.gz HWGUIBLTKKEJBZ-NSHDSACASA-N 0 2 321.779 3.936 20 0 DHADLN Cc1cc(CNC(=O)c2cc(F)c(O)c(Cl)c2)ccc1F ZINC000184210007 333347502 /nfs/dbraw/zinc/34/75/02/333347502.db2.gz VAJLJDVMXZPFQD-UHFFFAOYSA-N 0 2 311.715 3.562 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCCCc2ccccc21 ZINC000186780408 333378127 /nfs/dbraw/zinc/37/81/27/333378127.db2.gz OFTZEQRMOBFQJE-UHFFFAOYSA-N 0 2 303.308 3.654 20 0 DHADLN CCSCc1ccnc(NC(=O)c2cc(F)c(O)c(F)c2)c1 ZINC000186979045 333382910 /nfs/dbraw/zinc/38/29/10/333382910.db2.gz OSYXJMCTNGXWRF-UHFFFAOYSA-N 0 2 324.352 3.571 20 0 DHADLN Cc1ccsc1-c1nc(=NC(=O)[C@]2(C)CC=CCC2)s[nH]1 ZINC000410716845 333534834 /nfs/dbraw/zinc/53/48/34/333534834.db2.gz IKYXEXCQCXTSQA-OAHLLOKOSA-N 0 2 319.455 3.682 20 0 DHADLN O=C(NCc1cccc2cc[nH]c21)c1cc(F)cc(Cl)c1O ZINC000436859192 334009636 /nfs/dbraw/zinc/00/96/36/334009636.db2.gz RPVLSFLYWICSHH-UHFFFAOYSA-N 0 2 318.735 3.596 20 0 DHADLN CC(C)c1ccc(S(O)=CC(=O)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000170972483 334123044 /nfs/dbraw/zinc/12/30/44/334123044.db2.gz SSJCICXLNJJAGB-ICSGCJEQSA-N 0 2 321.486 3.613 20 0 DHADLN CC(C)c1ccc(S(O)=CC(=O)N[C@H]2CCCC[C@H]2C)cc1 ZINC000170972481 334123086 /nfs/dbraw/zinc/12/30/86/334123086.db2.gz SSJCICXLNJJAGB-AOSWFRPUSA-N 0 2 321.486 3.613 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2cncc3ccccc32)c(C)s1 ZINC000534674893 334318809 /nfs/dbraw/zinc/31/88/09/334318809.db2.gz LBQMJFVTYHTEOT-UHFFFAOYSA-N 0 2 318.423 3.714 20 0 DHADLN C/C=C\c1ccc(NS(=O)(=O)c2cnc(CC)s2)cc1 ZINC000341063537 334406569 /nfs/dbraw/zinc/40/65/69/334406569.db2.gz LDROKYWLKNPIRO-HYXAFXHYSA-N 0 2 308.428 3.539 20 0 DHADLN O=S(=O)(Nc1ccc(-c2ccc[nH]2)cc1)c1cccs1 ZINC000341924189 334492661 /nfs/dbraw/zinc/49/26/61/334492661.db2.gz FNDGMTULLFPSLN-UHFFFAOYSA-N 0 2 304.396 3.544 20 0 DHADLN O=C(CCc1cncs1)Nc1cc(Cl)cc(Cl)c1O ZINC000344723282 335271372 /nfs/dbraw/zinc/27/13/72/335271372.db2.gz XBVJNKYFFCJLEJ-UHFFFAOYSA-N 0 2 317.197 3.727 20 0 DHADLN CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(F)c(F)c(O)c1F ZINC000349111732 335631549 /nfs/dbraw/zinc/63/15/49/335631549.db2.gz UJGSBTBBXZJSFZ-CABZTGNLSA-N 0 2 315.335 3.850 20 0 DHADLN O=S(=O)(Nc1ccccc1-c1cccs1)c1ccoc1 ZINC000349947886 335712255 /nfs/dbraw/zinc/71/22/55/335712255.db2.gz NUXKFEGBJPZIDN-UHFFFAOYSA-N 0 2 305.380 3.809 20 0 DHADLN 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O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccnc(C2CC2)n1 ZINC000361325278 336751312 /nfs/dbraw/zinc/75/13/12/336751312.db2.gz ROJBKGGBFZRZOT-UHFFFAOYSA-N 0 2 324.167 3.619 20 0 DHADLN C[C@H]1[C@H](c2ccccc2)C[C@@H]1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000375170449 337005052 /nfs/dbraw/zinc/00/50/52/337005052.db2.gz GHAOROPMVTZRSJ-WNMQOVRZSA-N 0 2 317.335 3.592 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000377758660 337060220 /nfs/dbraw/zinc/06/02/20/337060220.db2.gz FVLITBIFWZQRDV-ZDUSSCGKSA-N 0 2 319.273 3.732 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000377758660 337060221 /nfs/dbraw/zinc/06/02/21/337060221.db2.gz FVLITBIFWZQRDV-ZDUSSCGKSA-N 0 2 319.273 3.732 20 0 DHADLN Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2Cc2nc(C(=O)[O-])cs2)o1 ZINC000582852141 337210438 /nfs/dbraw/zinc/21/04/38/337210438.db2.gz VOBZISCRZALWIH-ZWNOBZJWSA-N 0 2 320.414 3.716 20 0 DHADLN Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2Cc2nc(C(=O)[O-])cs2)o1 ZINC000582852141 337210439 /nfs/dbraw/zinc/21/04/39/337210439.db2.gz 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ZINC000581554048 1014989712 /nfs/dbraw/zinc/98/97/12/1014989712.db2.gz QCOVNRAMOIFKCV-CQSZACIVSA-N 0 2 312.479 3.663 20 0 DHADLN CC(C)CCc1nc(C[N@@H+](C)[C@H](CC(C)C)C(=O)[O-])cs1 ZINC000581554048 1014989718 /nfs/dbraw/zinc/98/97/18/1014989718.db2.gz QCOVNRAMOIFKCV-CQSZACIVSA-N 0 2 312.479 3.663 20 0 DHADLN C[C@H]1c2c(F)cccc2CC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC001594666749 986967641 /nfs/dbraw/zinc/96/76/41/986967641.db2.gz ZSOAPLOYDQBOJP-NSHDSACASA-N 0 2 317.335 3.782 20 0 DHADLN C[C@H]1c2c(F)cccc2CC[N@@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC001594666749 986967645 /nfs/dbraw/zinc/96/76/45/986967645.db2.gz ZSOAPLOYDQBOJP-NSHDSACASA-N 0 2 317.335 3.782 20 0 DHADLN CCSCc1ccc[nH+]c1N[C@@H]1CC[C@H](CC(=O)[O-])[C@@H]1C ZINC001597267803 987305945 /nfs/dbraw/zinc/30/59/45/987305945.db2.gz PZCCEIWWALDVIY-OUCADQQQSA-N 0 2 308.447 3.636 20 0 DHADLN CCc1oc(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC001597796345 989352339 /nfs/dbraw/zinc/35/23/39/989352339.db2.gz MFEWLRPPJYKERM-OAHLLOKOSA-N 0 2 303.333 3.626 20 0 DHADLN CCc1oc(C[N@H+]2CC[C@@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC001597796345 989352350 /nfs/dbraw/zinc/35/23/50/989352350.db2.gz MFEWLRPPJYKERM-OAHLLOKOSA-N 0 2 303.333 3.626 20 0 DHADLN CCc1oc(C[N@@H+]2CCC[C@@H]2c2csc(C)n2)cc1C(=O)[O-] ZINC001597800167 989389879 /nfs/dbraw/zinc/38/98/79/989389879.db2.gz YJCVMUDQKZOBSU-CQSZACIVSA-N 0 2 320.414 3.642 20 0 DHADLN CCc1oc(C[N@H+]2CCC[C@@H]2c2csc(C)n2)cc1C(=O)[O-] ZINC001597800167 989389881 /nfs/dbraw/zinc/38/98/81/989389881.db2.gz YJCVMUDQKZOBSU-CQSZACIVSA-N 0 2 320.414 3.642 20 0 DHADLN C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1cccc(Cl)c1O ZINC001126563521 1015562270 /nfs/dbraw/zinc/56/22/70/1015562270.db2.gz ZWCUICQTLZFPIE-WMLDXEAASA-N 0 2 301.773 3.506 20 0 DHADLN CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc(Cl)c(F)c1 ZINC000846875214 1032119563 /nfs/dbraw/zinc/11/95/63/1032119563.db2.gz QAMSTCYDQRRUQE-UHFFFAOYSA-N 0 2 324.831 3.545 20 0 DHADLN CC(C)C[N@H+](Cc1ccccn1)[C@H](C(=O)[O-])c1ccccc1F ZINC001591344290 992330494 /nfs/dbraw/zinc/33/04/94/992330494.db2.gz UZZHJPKJNFWLQJ-KRWDZBQOSA-N 0 2 316.376 3.505 20 0 DHADLN CC(C)C[N@@H+](Cc1ccccn1)[C@H](C(=O)[O-])c1ccccc1F ZINC001591344290 992330504 /nfs/dbraw/zinc/33/05/04/992330504.db2.gz UZZHJPKJNFWLQJ-KRWDZBQOSA-N 0 2 316.376 3.505 20 0 DHADLN O=[N+]([O-])c1ccc(O)c(/C=N/CCc2ccc(Cl)cc2)c1 ZINC000022727261 1015709606 /nfs/dbraw/zinc/70/96/06/1015709606.db2.gz AYWAGCIZGRWHKG-LICLKQGHSA-N 0 2 304.733 3.615 20 0 DHADLN CC(C)(C)C[C@H]1CCCN1C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000522624034 1015784700 /nfs/dbraw/zinc/78/47/00/1015784700.db2.gz WCIPGVFDUOBCSW-LLVKDONJSA-N 0 2 324.494 3.690 20 0 DHADLN O=C(C[C@H]1CCCC[C@@H]1O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000281080263 1015827868 /nfs/dbraw/zinc/82/78/68/1015827868.db2.gz FWJBDQZFIOVSNW-PELKAZGASA-N 0 2 318.200 3.579 20 0 DHADLN CC(C)[C@H]([NH2+][C@H](C)c1nc(C(=O)[O-])co1)c1ccccc1F ZINC001593208411 994225344 /nfs/dbraw/zinc/22/53/44/994225344.db2.gz BTXJIFZURMHKBU-YGRLFVJLSA-N 0 2 306.337 3.560 20 0 DHADLN C[C@H](c1c(F)cccc1F)[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC001593685946 996120594 /nfs/dbraw/zinc/12/05/94/996120594.db2.gz GNRJJXMFDRKHCG-LLVKDONJSA-N 0 2 317.335 3.782 20 0 DHADLN C[C@H](c1c(F)cccc1F)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC001593685946 996120595 /nfs/dbraw/zinc/12/05/95/996120595.db2.gz GNRJJXMFDRKHCG-LLVKDONJSA-N 0 2 317.335 3.782 20 0 DHADLN C[C@H](c1ccccc1Cl)[N@H+](Cc1cc(C(=O)[O-])no1)C1CC1 ZINC001593714356 996230154 /nfs/dbraw/zinc/23/01/54/996230154.db2.gz XFAWCDQFKPDGOX-SNVBAGLBSA-N 0 2 320.776 3.752 20 0 DHADLN C[C@H](c1ccccc1Cl)[N@@H+](Cc1cc(C(=O)[O-])no1)C1CC1 ZINC001593714356 996230159 /nfs/dbraw/zinc/23/01/59/996230159.db2.gz XFAWCDQFKPDGOX-SNVBAGLBSA-N 0 2 320.776 3.752 20 0 DHADLN Brc1ncc(Nc2cc(-c3ccco3)no2)s1 ZINC001216264711 1016086445 /nfs/dbraw/zinc/08/64/45/1016086445.db2.gz HKPFRPAFXAKWTG-UHFFFAOYSA-N 0 2 312.148 3.897 20 0 DHADLN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(F)C(F)(F)F ZINC000277325482 1016201565 /nfs/dbraw/zinc/20/15/65/1016201565.db2.gz 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O=C(C(F)C(F)(F)F)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000764472430 1018290444 /nfs/dbraw/zinc/29/04/44/1018290444.db2.gz LBUAYEVBPGKBOH-KBPBESRZSA-N 0 2 315.310 3.955 20 0 DHADLN Cc1ccsc1S(=O)(=O)Nc1ccc(C)c(Cl)c1 ZINC000525532446 1018318217 /nfs/dbraw/zinc/31/82/17/1018318217.db2.gz ORPHIIXLBUUHIL-UHFFFAOYSA-N 0 2 301.820 3.819 20 0 DHADLN CCC(CC)(CC)C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000675436262 1018453695 /nfs/dbraw/zinc/45/36/95/1018453695.db2.gz KWTQXCLGDPZEBV-UHFFFAOYSA-N 0 2 321.446 3.572 20 0 DHADLN Cc1n[nH]cc1S(=O)(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000385887337 1018797224 /nfs/dbraw/zinc/79/72/24/1018797224.db2.gz NRGPTDMAKLIWSZ-UHFFFAOYSA-N 0 2 321.446 3.766 20 0 DHADLN CC(C)COCCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000159283068 1019040783 /nfs/dbraw/zinc/04/07/83/1019040783.db2.gz SPHMDCKQODGVAK-UHFFFAOYSA-N 0 2 306.189 3.700 20 0 DHADLN CC[C@H](NC(=O)c1c(O)cc(F)cc1F)c1ccc(OC)cc1 ZINC000066042134 1019477963 /nfs/dbraw/zinc/47/79/63/1019477963.db2.gz LQQQPFCZISRRNG-AWEZNQCLSA-N 0 2 321.323 3.560 20 0 DHADLN O=S(=O)(Nc1cc(F)cc(Cl)c1)c1ccc(F)cc1F ZINC000477412607 1032836881 /nfs/dbraw/zinc/83/68/81/1032836881.db2.gz HCDFIDTWHFFMBN-UHFFFAOYSA-N 0 2 321.707 3.558 20 0 DHADLN CCOC(=O)c1csc(C(C#N)C(=O)C(C)(C)CC(C)C)n1 ZINC000084693616 1020175842 /nfs/dbraw/zinc/17/58/42/1020175842.db2.gz GCHGDYMVODHFNP-LLVKDONJSA-N 0 2 322.430 3.568 20 0 DHADLN CCOC(=O)c1csc([C@H](C#N)C(=O)C(C)(C)CC(C)C)n1 ZINC000084693616 1020175850 /nfs/dbraw/zinc/17/58/50/1020175850.db2.gz GCHGDYMVODHFNP-LLVKDONJSA-N 0 2 322.430 3.568 20 0 DHADLN C[C@H](CC(=O)Nc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCO1 ZINC000613182349 1020844301 /nfs/dbraw/zinc/84/43/01/1020844301.db2.gz JFIULJBZZAWZNQ-PELKAZGASA-N 0 2 318.200 3.843 20 0 DHADLN CC(C)(C(=O)NO[C@@H]1CCCCO1)c1ccc2ccccc2c1 ZINC000742061202 1021089778 /nfs/dbraw/zinc/08/97/78/1021089778.db2.gz YRBDKYYTGMSHGZ-QGZVFWFLSA-N 0 2 313.397 3.692 20 0 DHADLN CSCc1ccc(CN=c2nc(C(C)(C)C)[nH]s2)cc1 ZINC000588080128 1021294896 /nfs/dbraw/zinc/29/48/96/1021294896.db2.gz AKELPSDKHWEBFC-UHFFFAOYSA-N 0 2 307.488 3.733 20 0 DHADLN Cc1ccc(/C=C\S(=O)(=O)Nc2nc(C(C)C)cs2)cc1 ZINC000917866105 1021382768 /nfs/dbraw/zinc/38/27/68/1021382768.db2.gz KXJXWAZEEFIWAV-HJWRWDBZSA-N 0 2 322.455 3.988 20 0 DHADLN Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1C(=O)[O-] ZINC001211650147 1021752180 /nfs/dbraw/zinc/75/21/80/1021752180.db2.gz RKTIUZFHAUKCOJ-UHFFFAOYSA-N 0 2 311.385 3.822 20 0 DHADLN CSc1nc(-c2cc(C(F)(F)F)ccc2O)ncc1F ZINC001242131818 1022082210 /nfs/dbraw/zinc/08/22/10/1022082210.db2.gz RIWDRAOWKBNUQZ-UHFFFAOYSA-N 0 2 304.268 3.729 20 0 DHADLN CCC[C@@H](C(=O)Nc1nccc(Br)c1O)C(C)C ZINC001169383171 1022385668 /nfs/dbraw/zinc/38/56/68/1022385668.db2.gz QOQAKDTZSBALPH-SECBINFHSA-N 0 2 315.211 3.561 20 0 DHADLN CCCN(Cc1ccccc1F)C(=O)c1c(O)cc(F)cc1F ZINC000620966718 1022456879 /nfs/dbraw/zinc/45/68/79/1022456879.db2.gz FSRQVGZIPSSKKV-UHFFFAOYSA-N 0 2 323.314 3.862 20 0 DHADLN CC(C)(CCNC(=O)c1c(O)cc(F)cc1F)c1ccccc1 ZINC000620977693 1022480887 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CC(C)C[C@@H](NC(=O)c1cc(F)c(O)cc1F)c1ccccn1 ZINC001192887174 1038712551 /nfs/dbraw/zinc/71/25/51/1038712551.db2.gz CQHWPHDKZCUZJG-OAHLLOKOSA-N 0 2 320.339 3.583 20 0 DHADLN Cc1cc2cc(NS(=O)(=O)c3cnccc3Cl)ccc2o1 ZINC001192894036 1038712914 /nfs/dbraw/zinc/71/29/14/1038712914.db2.gz SSSJDGVAALLZRM-UHFFFAOYSA-N 0 2 322.773 3.590 20 0 DHADLN CC(C)C[C@H](C(=O)[O-])[N@H+](C)Cc1csc(-c2ccsc2)n1 ZINC000574697324 1039778267 /nfs/dbraw/zinc/77/82/67/1039778267.db2.gz OYJATKISRWEBDJ-CYBMUJFWSA-N 0 2 324.471 3.803 20 0 DHADLN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1csc(-c2ccsc2)n1 ZINC000574697324 1039778282 /nfs/dbraw/zinc/77/82/82/1039778282.db2.gz OYJATKISRWEBDJ-CYBMUJFWSA-N 0 2 324.471 3.803 20 0 DHADLN Cc1ccsc1S(=O)(=O)Nc1ccc(OC(C)C)cc1 ZINC000607614137 1040205279 /nfs/dbraw/zinc/20/52/79/1040205279.db2.gz VXSUMKGRHRWNFP-UHFFFAOYSA-N 0 2 311.428 3.645 20 0 DHADLN CCc1ccc([C@H]([NH2+]Cc2ncc(C(C)C)s2)C(=O)[O-])cc1 ZINC000417591976 335000013 /nfs/dbraw/zinc/00/00/13/335000013.db2.gz 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/nfs/dbraw/zinc/76/41/52/1026764152.db2.gz QGTHJQGWLJXLLD-WCQYABFASA-N 0 2 321.314 3.799 20 0 DHADLN Cc1ccc(C(C)(C)CN(C)C(=O)C(F)C(F)(F)F)cc1 ZINC000810445002 1026765652 /nfs/dbraw/zinc/76/56/52/1026765652.db2.gz CPOFZNGYGBKBES-GFCCVEGCSA-N 0 2 305.315 3.631 20 0 DHADLN Cc1ccc(C(C)(C)CN(C)C(=O)[C@@H](F)C(F)(F)F)cc1 ZINC000810445002 1026765659 /nfs/dbraw/zinc/76/56/59/1026765659.db2.gz CPOFZNGYGBKBES-GFCCVEGCSA-N 0 2 305.315 3.631 20 0 DHADLN CCC(CC)(CNC(=O)C(F)C(F)(F)F)c1ccccc1 ZINC000810451615 1026766988 /nfs/dbraw/zinc/76/69/88/1026766988.db2.gz IEADFYAFTDDCDH-LBPRGKRZSA-N 0 2 305.315 3.761 20 0 DHADLN CCC(CC)(CNC(=O)[C@H](F)C(F)(F)F)c1ccccc1 ZINC000810451615 1026766998 /nfs/dbraw/zinc/76/69/98/1026766998.db2.gz IEADFYAFTDDCDH-LBPRGKRZSA-N 0 2 305.315 3.761 20 0 DHADLN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)C(F)C(F)(F)F ZINC000810510414 1026770195 /nfs/dbraw/zinc/77/01/95/1026770195.db2.gz PKTQBXDDMHUSQP-ZWNOBZJWSA-N 0 2 321.314 3.689 20 0 DHADLN CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)[C@@H](F)C(F)(F)F ZINC000810510414 1026770204 /nfs/dbraw/zinc/77/02/04/1026770204.db2.gz PKTQBXDDMHUSQP-ZWNOBZJWSA-N 0 2 321.314 3.689 20 0 DHADLN CC(C)(C)[C@H]1C[C@@H](Nc2nc(C3CCCC3)ns2)CCO1 ZINC000420618954 1026846553 /nfs/dbraw/zinc/84/65/53/1026846553.db2.gz XUOFKNOVWNNOLG-QWHCGFSZSA-N 0 2 309.479 3.623 20 0 DHADLN O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)C(F)C(F)(F)F ZINC000811454731 1027003632 /nfs/dbraw/zinc/00/36/32/1027003632.db2.gz QIXDHKKYRMGJSA-XQQFMLRXSA-N 0 2 303.299 3.729 20 0 DHADLN O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)[C@H](F)C(F)(F)F ZINC000811454731 1027003642 /nfs/dbraw/zinc/00/36/42/1027003642.db2.gz QIXDHKKYRMGJSA-XQQFMLRXSA-N 0 2 303.299 3.729 20 0 DHADLN O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)C(F)C(F)(F)F ZINC000811454730 1027004399 /nfs/dbraw/zinc/00/43/99/1027004399.db2.gz QIXDHKKYRMGJSA-UPJWGTAASA-N 0 2 303.299 3.729 20 0 DHADLN O=C(N[C@@H]1CCC[C@@H](c2ccccc2)C1)[C@H](F)C(F)(F)F ZINC000811454730 1027004403 /nfs/dbraw/zinc/00/44/03/1027004403.db2.gz QIXDHKKYRMGJSA-UPJWGTAASA-N 0 2 303.299 3.729 20 0 DHADLN O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)C(F)C(F)(F)F ZINC000811488062 1027010021 /nfs/dbraw/zinc/01/00/21/1027010021.db2.gz HOEFMZMOFTZKQW-MJBXVCDLSA-N 0 2 311.278 3.712 20 0 DHADLN O=C(N[C@@H]1C[C@H]1c1ccc2ccccc2c1)[C@H](F)C(F)(F)F ZINC000811488062 1027010030 /nfs/dbraw/zinc/01/00/30/1027010030.db2.gz HOEFMZMOFTZKQW-MJBXVCDLSA-N 0 2 311.278 3.712 20 0 DHADLN CC(C)(C)c1cnc(Cc2nc(=O)c3sccc3[nH]2)s1 ZINC000362332021 1027150914 /nfs/dbraw/zinc/15/09/14/1027150914.db2.gz FWHNIVDPMKTGDC-UHFFFAOYSA-N 0 2 305.428 3.742 20 0 DHADLN CC[C@H](C)c1ccc(S(=O)(=O)Nc2nc(C)c(C)o2)cc1 ZINC000272087415 1027218549 /nfs/dbraw/zinc/21/85/49/1027218549.db2.gz CHFIEBYIJLKOSR-JTQLQIEISA-N 0 2 308.403 3.606 20 0 DHADLN C[C@@H](CCc1cccc(F)c1)[NH2+][C@@H](c1nnc[nH]1)c1ccccc1 ZINC000364677956 1027866696 /nfs/dbraw/zinc/86/66/96/1027866696.db2.gz OYSYYVPBNUHAOQ-KBXCAEBGSA-N 0 2 324.403 3.644 20 0 DHADLN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)C(F)C(F)(F)F)c1 ZINC000365634736 1027989573 /nfs/dbraw/zinc/98/95/73/1027989573.db2.gz MGZQPYIUYHOMFP-ICCXJUOJSA-N 0 2 319.298 3.505 20 0 DHADLN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)[C@H](F)C(F)(F)F)c1 ZINC000365634736 1027989585 /nfs/dbraw/zinc/98/95/85/1027989585.db2.gz MGZQPYIUYHOMFP-ICCXJUOJSA-N 0 2 319.298 3.505 20 0 DHADLN Cc1oc(NS(=O)(=O)c2c(C)cc(C)cc2C)nc1C1CC1 ZINC000578724159 1028226017 /nfs/dbraw/zinc/22/60/17/1028226017.db2.gz PTUMEECUCZIJIK-UHFFFAOYSA-N 0 2 320.414 3.586 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000368088990 1028295916 /nfs/dbraw/zinc/29/59/16/1028295916.db2.gz IXUAOOCJZRVHFC-GHMZBOCLSA-N 0 2 309.690 3.904 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCC[C@@H]1c1cccc(Cl)c1 ZINC000368088990 1028295936 /nfs/dbraw/zinc/29/59/36/1028295936.db2.gz IXUAOOCJZRVHFC-GHMZBOCLSA-N 0 2 309.690 3.904 20 0 DHADLN CCOC1CC(CC(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 ZINC000188656099 1028525511 /nfs/dbraw/zinc/52/55/11/1028525511.db2.gz GESKMIIPEADMPI-UHFFFAOYSA-N 0 2 318.200 3.843 20 0 DHADLN Cc1csc(C(C#N)C(=O)[C@@]2(C)CCc3ccccc3C2)n1 ZINC000076764183 1028712839 /nfs/dbraw/zinc/71/28/39/1028712839.db2.gz KJQKAFVCTXIQPL-YJBOKZPZSA-N 0 2 310.422 3.823 20 0 DHADLN Cc1csc([C@@H](C#N)C(=O)[C@@]2(C)CCc3ccccc3C2)n1 ZINC000076764183 1028712858 /nfs/dbraw/zinc/71/28/58/1028712858.db2.gz KJQKAFVCTXIQPL-YJBOKZPZSA-N 0 2 310.422 3.823 20 0 DHADLN C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)C(F)C(F)(F)F ZINC000817461689 1029159428 /nfs/dbraw/zinc/15/94/28/1029159428.db2.gz VGCLXHXMSQRFCN-TZMCWYRMSA-N 0 2 321.289 3.650 20 0 DHADLN C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC000817461689 1029159436 /nfs/dbraw/zinc/15/94/36/1029159436.db2.gz VGCLXHXMSQRFCN-TZMCWYRMSA-N 0 2 321.289 3.650 20 0 DHADLN C[C@H](SCC(=O)NOCc1ccccc1)c1cccs1 ZINC000077959876 1029190925 /nfs/dbraw/zinc/19/09/25/1029190925.db2.gz USRVWQCEFVOSKS-LBPRGKRZSA-N 0 2 307.440 3.790 20 0 DHADLN CC1(C)[C@@H](c2ccccc2)CCN1C(=O)C(F)C(F)(F)F ZINC000817506832 1029192821 /nfs/dbraw/zinc/19/28/21/1029192821.db2.gz OSTOUDGQRYLNDF-NEPJUHHUSA-N 0 2 303.299 3.682 20 0 DHADLN CC1(C)[C@@H](c2ccccc2)CCN1C(=O)[C@H](F)C(F)(F)F ZINC000817506832 1029192864 /nfs/dbraw/zinc/19/28/64/1029192864.db2.gz OSTOUDGQRYLNDF-NEPJUHHUSA-N 0 2 303.299 3.682 20 0 DHADLN CC1(C)[C@H](c2ccccc2)CCN1C(=O)C(F)C(F)(F)F ZINC000817506833 1029194032 /nfs/dbraw/zinc/19/40/32/1029194032.db2.gz OSTOUDGQRYLNDF-NWDGAFQWSA-N 0 2 303.299 3.682 20 0 DHADLN CC1(C)[C@H](c2ccccc2)CCN1C(=O)[C@@H](F)C(F)(F)F ZINC000817506833 1029194035 /nfs/dbraw/zinc/19/40/35/1029194035.db2.gz OSTOUDGQRYLNDF-NWDGAFQWSA-N 0 2 303.299 3.682 20 0 DHADLN CC(C)(C)c1nc(=N[C@@H]2CCO[C@H](c3cccs3)C2)s[nH]1 ZINC000450865617 1029715148 /nfs/dbraw/zinc/71/51/48/1029715148.db2.gz SCUWLNKQFSOJSK-MNOVXSKESA-N 0 2 323.487 3.651 20 0 DHADLN C[C@@H](Cc1ccsc1)NC(=O)c1cc(F)cc(Cl)c1O ZINC000530878449 1030058175 /nfs/dbraw/zinc/05/81/75/1030058175.db2.gz IDBKZUCYKHNDDQ-QMMMGPOBSA-N 0 2 313.781 3.607 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000290770725 1030181316 /nfs/dbraw/zinc/18/13/16/1030181316.db2.gz KXBQBVJZBZHDFN-GXSJLCMTSA-N 0 2 309.690 3.556 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000290770725 1030181323 /nfs/dbraw/zinc/18/13/23/1030181323.db2.gz KXBQBVJZBZHDFN-GXSJLCMTSA-N 0 2 309.690 3.556 20 0 DHADLN Cc1c(Cl)cc(Cl)cc1-n1[nH]c(=O)c2cc(N)ccc21 ZINC001211985945 1030230150 /nfs/dbraw/zinc/23/01/50/1030230150.db2.gz CERWRYODMKICFK-UHFFFAOYSA-N 0 2 308.168 3.929 20 0 DHADLN Cc1ccc([C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)c(C)c1 ZINC000290988446 1030274106 /nfs/dbraw/zinc/27/41/06/1030274106.db2.gz ZNMSGXPYPVEOIP-AAEUAGOBSA-N 0 2 303.299 3.520 20 0 DHADLN Cc1ccc([C@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)c(C)c1 ZINC000290988446 1030274117 /nfs/dbraw/zinc/27/41/17/1030274117.db2.gz ZNMSGXPYPVEOIP-AAEUAGOBSA-N 0 2 303.299 3.520 20 0 DHADLN C[C@H](c1ccc(F)cc1F)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246568808 1030636672 /nfs/dbraw/zinc/63/66/72/1030636672.db2.gz BDPIIXOMTBPGKO-KGLIPLIRSA-N 0 2 319.399 3.714 20 0 DHADLN C[C@@H]1CN(C(=O)[C@@H](F)C(F)(F)F)CCc2ccc(Cl)cc21 ZINC000844840119 1031374639 /nfs/dbraw/zinc/37/46/39/1031374639.db2.gz FNMCONYHAWLIPR-PRHODGIISA-N 0 2 323.717 3.729 20 0 DHADLN C[C@@H]1CN(C(=O)C(F)C(F)(F)F)CCc2ccc(Cl)cc21 ZINC000844840119 1031374620 /nfs/dbraw/zinc/37/46/20/1031374620.db2.gz FNMCONYHAWLIPR-PRHODGIISA-N 0 2 323.717 3.729 20 0 DHADLN CCCCC1=NN(c2ncnc(Cl)c2C(C)C)C(=O)[C@@H]1C ZINC000871956886 1031387017 /nfs/dbraw/zinc/38/70/17/1031387017.db2.gz HHNQGWHCQKOVJQ-SNVBAGLBSA-N 0 2 308.813 3.782 20 0 DHADLN Cc1cc(-c2cc(=O)n(C[C@H]3CCCC3(F)F)[nH]2)ccc1F ZINC000871964427 1031389380 /nfs/dbraw/zinc/38/93/80/1031389380.db2.gz ZCXLQMPREXGEMM-GFCCVEGCSA-N 0 2 310.319 3.506 20 0 DHADLN O=C(NC[C@@H]1CCCCC(F)(F)C1)c1cc(F)c(O)c(F)c1 ZINC000293549021 1031510983 /nfs/dbraw/zinc/51/09/83/1031510983.db2.gz BUPPFSXNZYIMJR-SECBINFHSA-N 0 2 319.298 3.616 20 0 DHADLN Cc1cccc2c1[nH]cc(C(=O)N(C)[C@H](C)c1ccccc1)c2=O ZINC000361214834 1031790439 /nfs/dbraw/zinc/79/04/39/1031790439.db2.gz GWZDDHQBKKKQGZ-CQSZACIVSA-N 0 2 320.392 3.670 20 0 DHADLN COc1ccc([C@@H](C)N(C)Cc2cc(F)c(O)cc2F)cc1 ZINC001144657621 1031794006 /nfs/dbraw/zinc/79/40/06/1031794006.db2.gz ANQJGQHWIUOPHT-LLVKDONJSA-N 0 2 307.340 3.872 20 0 DHADLN CC(C)c1nc(C[N@H+](C)Cc2sccc2C(=O)[O-])cs1 ZINC001144677210 1031821806 /nfs/dbraw/zinc/82/18/06/1031821806.db2.gz GONLJTYWZNXUCS-UHFFFAOYSA-N 0 2 310.444 3.658 20 0 DHADLN CC(C)c1nc(C[N@@H+](C)Cc2sccc2C(=O)[O-])cs1 ZINC001144677210 1031821814 /nfs/dbraw/zinc/82/18/14/1031821814.db2.gz GONLJTYWZNXUCS-UHFFFAOYSA-N 0 2 310.444 3.658 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000294224341 1031887085 /nfs/dbraw/zinc/88/70/85/1031887085.db2.gz QCROSMTYKBIBSF-VXGBXAGGSA-N 0 2 301.283 3.641 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000294224341 1031887103 /nfs/dbraw/zinc/88/71/03/1031887103.db2.gz QCROSMTYKBIBSF-VXGBXAGGSA-N 0 2 301.283 3.641 20 0 DHADLN CCOc1ccc(-c2noc(-c3ncc(C(F)(F)F)[nH]3)n2)cc1 ZINC001212689674 1033462562 /nfs/dbraw/zinc/46/25/62/1033462562.db2.gz LVADWEOHUXGHKK-UHFFFAOYSA-N 0 2 324.262 3.544 20 0 DHADLN CCCONC(=O)C(C)(C)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000862104041 1033761589 /nfs/dbraw/zinc/76/15/89/1033761589.db2.gz SQKDHYAZLUKCHB-GFCCVEGCSA-N 0 2 320.216 3.511 20 0 DHADLN CC(C)(NC(=O)C(F)C(F)(F)F)c1nc2ccccc2s1 ZINC000862585639 1033901304 /nfs/dbraw/zinc/90/13/04/1033901304.db2.gz QYAJVBMCKCESFQ-VIFPVBQESA-N 0 2 320.311 3.548 20 0 DHADLN CC(C)(NC(=O)[C@H](F)C(F)(F)F)c1nc2ccccc2s1 ZINC000862585639 1033901312 /nfs/dbraw/zinc/90/13/12/1033901312.db2.gz QYAJVBMCKCESFQ-VIFPVBQESA-N 0 2 320.311 3.548 20 0 DHADLN CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)C(F)C(F)(F)F ZINC000862991776 1033973008 /nfs/dbraw/zinc/97/30/08/1033973008.db2.gz CDDAKVGYLQWMSR-VXGBXAGGSA-N 0 2 321.289 3.821 20 0 DHADLN CC1(C)[C@@H](c2ccc(F)cc2)CCN1C(=O)[C@@H](F)C(F)(F)F ZINC000862991776 1033973013 /nfs/dbraw/zinc/97/30/13/1033973013.db2.gz CDDAKVGYLQWMSR-VXGBXAGGSA-N 0 2 321.289 3.821 20 0 DHADLN COC1CCC(C)(CNc2nc(-c3ccccc3)ns2)CC1 ZINC000480501884 1034281609 /nfs/dbraw/zinc/28/16/09/1034281609.db2.gz PFJXVWMSWUCMMJ-UHFFFAOYSA-N 0 2 317.458 3.634 20 0 DHADLN CC(C)n1cnc2cc(Nc3cc(=O)[nH]c(Cl)n3)ccc21 ZINC001174381963 1034359536 /nfs/dbraw/zinc/35/95/36/1034359536.db2.gz TYDYKCCLWYKVJF-UHFFFAOYSA-N 0 2 303.753 3.510 20 0 DHADLN CCc1nsc(NC2CC(F)(c3cccc(Cl)c3)C2)n1 ZINC000481092051 1034582709 /nfs/dbraw/zinc/58/27/09/1034582709.db2.gz MNQAKYOBMHPBJB-UHFFFAOYSA-N 0 2 311.813 3.615 20 0 DHADLN CC(C)c1nnc(Nc2cccnc2OCc2ccccc2)o1 ZINC001175871242 1035150022 /nfs/dbraw/zinc/15/00/22/1035150022.db2.gz FKWAAJQOZLRTLQ-UHFFFAOYSA-N 0 2 310.357 3.911 20 0 DHADLN Cc1cccc2c(=O)c(C(=O)N3CCCC34CCCCC4)c[nH]c12 ZINC000483244662 1035244625 /nfs/dbraw/zinc/24/46/25/1035244625.db2.gz FZFQSNYESATCEX-UHFFFAOYSA-N 0 2 324.424 3.775 20 0 DHADLN O=C([O-])/C=C/c1ccc(Nc2[nH+]cccc2N2CCCC2)cc1 ZINC001176594018 1035292963 /nfs/dbraw/zinc/29/29/63/1035292963.db2.gz LLMOBBNICMXITJ-JXMROGBWSA-N 0 2 309.369 3.523 20 0 DHADLN CCc1ncc(C[NH2+][C@H](C(=O)[O-])c2ccc(Cl)c(C)c2)s1 ZINC000904002069 1035337490 /nfs/dbraw/zinc/33/74/90/1035337490.db2.gz NBFANWQDSVTYGP-AWEZNQCLSA-N 0 2 324.833 3.583 20 0 DHADLN CCC(C)(C)OCC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000457696479 1035596995 /nfs/dbraw/zinc/59/69/95/1035596995.db2.gz UDBWFRSNPYTHBH-UHFFFAOYSA-N 0 2 306.189 3.843 20 0 DHADLN Cc1ccc(OC(=O)N=c2[nH]c3c(s2)C(=O)CCC3)cc1 ZINC001194425741 1035928439 /nfs/dbraw/zinc/92/84/39/1035928439.db2.gz HPQWQUGHJAPECB-UHFFFAOYSA-N 0 2 302.355 3.581 20 0 DHADLN CC[C@H](C)n1nc(NS(=O)(=O)c2ccc(C)cc2C)cc1C ZINC000540498040 1036083844 /nfs/dbraw/zinc/08/38/44/1036083844.db2.gz NDRXXVSPSXPETG-ZDUSSCGKSA-N 0 2 321.446 3.580 20 0 DHADLN Fc1cc(-c2ccncc2)ccc1C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000540620952 1036116403 /nfs/dbraw/zinc/11/64/03/1036116403.db2.gz VFLTWAMTIKJBGW-SFHVURJKSA-N 0 2 322.387 3.778 20 0 DHADLN COc1cc(C)c(NC(=O)c2cccc(Cl)c2O)cc1OC ZINC000775638920 1036145788 /nfs/dbraw/zinc/14/57/88/1036145788.db2.gz LSNVVAQFFOGEDB-UHFFFAOYSA-N 0 2 321.760 3.624 20 0 DHADLN CC(C)c1cccc(S(=O)(=O)Nc2cccc3cnoc32)c1 ZINC001195160063 1036165186 /nfs/dbraw/zinc/16/51/86/1036165186.db2.gz ZHQDKQFMFWNZMU-UHFFFAOYSA-N 0 2 316.382 3.752 20 0 DHADLN Cc1cccc(Cl)c1S(=O)(=O)Nc1cncc(C2CC2)c1 ZINC001195283882 1036208318 /nfs/dbraw/zinc/20/83/18/1036208318.db2.gz HNCVIMKTAKOKPT-UHFFFAOYSA-N 0 2 322.817 3.722 20 0 DHADLN COc1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1O ZINC000775650903 1036227476 /nfs/dbraw/zinc/22/74/76/1036227476.db2.gz HELAXAPFGQZLTO-UHFFFAOYSA-N 0 2 317.772 3.647 20 0 DHADLN O=C(N[C@@H](c1cccs1)C1CC1)c1cccc(Cl)c1O ZINC000775651401 1036228193 /nfs/dbraw/zinc/22/81/93/1036228193.db2.gz NAAMVDQFOHNQHP-CYBMUJFWSA-N 0 2 307.802 3.988 20 0 DHADLN COc1cccc([C@H](C)NC(=O)c2cccc(Cl)c2O)c1 ZINC000775656992 1036261073 /nfs/dbraw/zinc/26/10/73/1036261073.db2.gz SFRIWXDXSOSIRG-JTQLQIEISA-N 0 2 305.761 3.545 20 0 DHADLN CCOc1cc(F)ccc1NC(=O)c1cccc(Cl)c1O ZINC000775661809 1036281384 /nfs/dbraw/zinc/28/13/84/1036281384.db2.gz PJKOGLKLMDPGSU-UHFFFAOYSA-N 0 2 309.724 3.836 20 0 DHADLN CCC[C@@](C)(CC)C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC001182474805 1036360415 /nfs/dbraw/zinc/36/04/15/1036360415.db2.gz SDWYNUIROIJVSE-MRXNPFEDSA-N 0 2 304.369 3.766 20 0 DHADLN CCCC(C)(C)C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC001182746330 1036446406 /nfs/dbraw/zinc/44/64/06/1036446406.db2.gz PBYKCHOOVHAVOZ-UHFFFAOYSA-N 0 2 308.332 3.515 20 0 DHADLN O=C(Nc1ccnn1C1CCCC1)c1cccc(Cl)c1O ZINC000775695177 1036473378 /nfs/dbraw/zinc/47/33/78/1036473378.db2.gz HHUUBHNZOIIXCD-UHFFFAOYSA-N 0 2 305.765 3.610 20 0 DHADLN O=C(NC1CC(c2ccccc2)C1)c1cccc(Cl)c1O ZINC000775709116 1036505578 /nfs/dbraw/zinc/50/55/78/1036505578.db2.gz DQNQFOZKGHQWEV-UHFFFAOYSA-N 0 2 301.773 3.722 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2cncc(C3CCC3)c2)c(F)c1 ZINC001196354676 1036511865 /nfs/dbraw/zinc/51/18/65/1036511865.db2.gz WKXBDGONLVGAPD-UHFFFAOYSA-N 0 2 320.389 3.597 20 0 DHADLN O=C(Nc1cccc(-c2ncc[nH]2)c1)c1cccc(Cl)c1O ZINC000775713333 1036515835 /nfs/dbraw/zinc/51/58/35/1036515835.db2.gz IHXBHHCBICWHQH-UHFFFAOYSA-N 0 2 313.744 3.688 20 0 DHADLN Cc1cc2cc(NS(=O)(=O)c3ccc(C)cc3F)ccc2o1 ZINC001196384964 1036516583 /nfs/dbraw/zinc/51/65/83/1036516583.db2.gz SGIGCJZNNJXUIM-UHFFFAOYSA-N 0 2 319.357 3.990 20 0 DHADLN C[C@H]1c2ccccc2CCN1C(=O)c1cccc(Cl)c1O ZINC000775724636 1036566525 /nfs/dbraw/zinc/56/65/25/1036566525.db2.gz FWFFMMRNTRBMQS-NSHDSACASA-N 0 2 301.773 3.805 20 0 DHADLN CCS[C@H]1CC[C@H](N(C)C(=O)c2cccc(Cl)c2O)C1 ZINC000775762797 1036701623 /nfs/dbraw/zinc/70/16/23/1036701623.db2.gz UNPCRILRXRUMIC-QWRGUYRKSA-N 0 2 313.850 3.792 20 0 DHADLN CCS[C@H]1CC[C@@H](N(C)C(=O)c2cccc(Cl)c2O)C1 ZINC000775762796 1036703449 /nfs/dbraw/zinc/70/34/49/1036703449.db2.gz UNPCRILRXRUMIC-MNOVXSKESA-N 0 2 313.850 3.792 20 0 DHADLN O=C(c1cccc(Cl)c1O)N1CCc2c1cccc2Cl ZINC000775778316 1036793278 /nfs/dbraw/zinc/79/32/78/1036793278.db2.gz MTZMLVWXBMKQIW-UHFFFAOYSA-N 0 2 308.164 3.902 20 0 DHADLN C[C@@H](CCc1ccc(O)cc1)NC(=O)c1cccc(Cl)c1O ZINC000775780888 1036842219 /nfs/dbraw/zinc/84/22/19/1036842219.db2.gz VHJLAEVRPOIMMG-NSHDSACASA-N 0 2 319.788 3.502 20 0 DHADLN Cc1cc(N(C)C)cc(C)c1NC(=O)c1cccc(Cl)c1O ZINC000775784459 1036851866 /nfs/dbraw/zinc/85/18/66/1036851866.db2.gz PRRVOAXJGVZUGI-UHFFFAOYSA-N 0 2 318.804 3.981 20 0 DHADLN CC[C@H](C)[N@H+](CC(=O)[O-])Cc1csc(-c2ccccc2F)n1 ZINC000236966045 1036987356 /nfs/dbraw/zinc/98/73/56/1036987356.db2.gz PNPMLZAFOWZJFF-NSHDSACASA-N 0 2 322.405 3.634 20 0 DHADLN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1csc(-c2ccccc2F)n1 ZINC000236966045 1036987365 /nfs/dbraw/zinc/98/73/65/1036987365.db2.gz PNPMLZAFOWZJFF-NSHDSACASA-N 0 2 322.405 3.634 20 0 DHADLN O=S(=O)(Nc1ccc(Cl)nc1)c1cc2ccccc2s1 ZINC001185426217 1037136562 /nfs/dbraw/zinc/13/65/62/1037136562.db2.gz MFVPJHFJBLNKAY-UHFFFAOYSA-N 0 2 324.814 3.751 20 0 DHADLN O=S(=O)(Nc1cc2ccccc2s1)c1ccc(Cl)nc1 ZINC001185650494 1037201473 /nfs/dbraw/zinc/20/14/73/1037201473.db2.gz WWZXNHVADSUAGR-UHFFFAOYSA-N 0 2 324.814 3.751 20 0 DHADLN O=C(Nc1ccc(-c2ccccc2)cc1)c1ccc2[nH]nnc2c1 ZINC000016494031 1037312085 /nfs/dbraw/zinc/31/20/85/1037312085.db2.gz GLVBMQZJNRAWDM-UHFFFAOYSA-N 0 2 314.348 3.877 20 0 DHADLN O=S(=O)(Nc1ccc(F)cc1)c1cc2c(s1)CCCC2 ZINC001187173397 1037595939 /nfs/dbraw/zinc/59/59/39/1037595939.db2.gz BEBLIXCRJAASCZ-UHFFFAOYSA-N 0 2 311.403 3.567 20 0 DHADLN O=C(Nc1ccnc(Cl)c1O)Nc1cccc(Cl)c1F ZINC001188386074 1037881377 /nfs/dbraw/zinc/88/13/77/1037881377.db2.gz UURJWVCVALTLHR-UHFFFAOYSA-N 0 2 316.119 3.877 20 0 DHADLN O=S(=O)(Nc1ccc2c(c1)oc1ccccc12)c1ccoc1 ZINC001188608201 1037931105 /nfs/dbraw/zinc/93/11/05/1037931105.db2.gz WKZMHRWQLMPVMD-UHFFFAOYSA-N 0 2 313.334 3.980 20 0 DHADLN CCCc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000127332384 1038173195 /nfs/dbraw/zinc/17/31/95/1038173195.db2.gz PXPWAQGUYDBNQI-UHFFFAOYSA-N 0 2 316.835 3.550 20 0 DHADLN CCOc1ccc(C)cc1S(=O)(=O)Nc1cc(C)cs1 ZINC001191787542 1038548269 /nfs/dbraw/zinc/54/82/69/1038548269.db2.gz BZRJUMZKWVCUPO-UHFFFAOYSA-N 0 2 311.428 3.564 20 0 DHADLN CC(C)Cc1ccc(C(=O)N=c2nc(C(C)(C)C)[nH]s2)cc1 ZINC000589935800 1038555537 /nfs/dbraw/zinc/55/55/37/1038555537.db2.gz AUEDOXNRPKXDIN-UHFFFAOYSA-N 0 2 317.458 3.708 20 0 DHADLN Cc1ccccc1C(C)(C)NC(=O)c1c(F)ccc(F)c1O ZINC001192717736 1038696727 /nfs/dbraw/zinc/69/67/27/1038696727.db2.gz HOGWXRXSOKAOOL-UHFFFAOYSA-N 0 2 305.324 3.644 20 0 DHADLN O=C(NC1CCC(C(F)(F)F)CC1)c1c(F)ccc(F)c1O ZINC001192716093 1038697109 /nfs/dbraw/zinc/69/71/09/1038697109.db2.gz FUZDTIZVHYIKQV-UHFFFAOYSA-N 0 2 323.261 3.521 20 0 DHADLN CC(C)(C)c1ccc(CNC(=O)c2cc(F)c(O)cc2F)cc1 ZINC001192877123 1038707211 /nfs/dbraw/zinc/70/72/11/1038707211.db2.gz PYWRAFVTNGDIQT-UHFFFAOYSA-N 0 2 319.351 3.898 20 0 DHADLN Cc1ccccc1C(C)(C)NC(=O)c1cc(F)c(O)cc1F ZINC001192888229 1038713070 /nfs/dbraw/zinc/71/30/70/1038713070.db2.gz TZSFRHOFDCMHQU-UHFFFAOYSA-N 0 2 305.324 3.644 20 0 DHADLN O=C(NCc1cccc(C(F)F)c1)c1cc(F)c(O)cc1F ZINC001192879767 1038716737 /nfs/dbraw/zinc/71/67/37/1038716737.db2.gz NCFZUPJLNCJPDJ-UHFFFAOYSA-N 0 2 313.250 3.538 20 0 DHADLN CSc1ccccc1[C@@H](C)NC(=O)c1c(O)cc(F)cc1F ZINC000669727670 1039751562 /nfs/dbraw/zinc/75/15/62/1039751562.db2.gz BCVADEDVTZHEOZ-SECBINFHSA-N 0 2 323.364 3.883 20 0 DHADLN O=C([O-])[C@H]([NH2+]Cc1cnc(C2CCCC2)s1)c1ccsc1 ZINC000417564240 334985973 /nfs/dbraw/zinc/98/59/73/334985973.db2.gz OJNDXUINILWJKA-CYBMUJFWSA-N 0 2 322.455 3.778 20 0 DHADLN CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(F)c(F)c(O)c1F ZINC000273396935 130117303 /nfs/dbraw/zinc/11/73/03/130117303.db2.gz PYDHZNPIAXUHGK-LDYMZIIASA-N 0 2 301.308 3.508 20 0 DHADLN CC(C)N(Cc1cccs1)C(=O)c1cc(F)c(O)c(F)c1 ZINC000273914932 130186043 /nfs/dbraw/zinc/18/60/43/130186043.db2.gz DNLMDRYYGKLCET-UHFFFAOYSA-N 0 2 311.353 3.783 20 0 DHADLN Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H]3c3ccc[nH]3)c[nH]c12 ZINC000274927428 130275113 /nfs/dbraw/zinc/27/51/13/130275113.db2.gz KLYTYYBKEBAFIX-MRXNPFEDSA-N 0 2 321.380 3.554 20 0 DHADLN FC(F)(F)c1cccc([C@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)c1 ZINC000285513670 131175499 /nfs/dbraw/zinc/17/54/99/131175499.db2.gz GECRJWNKJRQAMH-HNNXBMFYSA-N 0 2 323.362 3.782 20 0 DHADLN Cc1cnc([C@H](C)CNc2nc(C3CCCC3)ns2)s1 ZINC000557632538 331804447 /nfs/dbraw/zinc/80/44/47/331804447.db2.gz CWPIORNNCPLEQC-SECBINFHSA-N 0 2 308.476 3.598 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1Cc2ccccc2O1 ZINC000130107238 332022837 /nfs/dbraw/zinc/02/28/37/332022837.db2.gz CPEYKGSLFHGNOM-ZDUSSCGKSA-N 0 2 324.163 3.641 20 0 DHADLN Cc1nc(C)c(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)o1 ZINC000130136423 332023012 /nfs/dbraw/zinc/02/30/12/332023012.db2.gz KGOIOXNQLREANH-UHFFFAOYSA-N 0 2 301.129 3.556 20 0 DHADLN Cc1cc(C)cc(CS(=O)(=O)Nc2nc(C(C)C)cs2)c1 ZINC000410330318 332112815 /nfs/dbraw/zinc/11/28/15/332112815.db2.gz XGUOKWNYKIUHKM-UHFFFAOYSA-N 0 2 324.471 3.825 20 0 DHADLN O=C([O-])[C@H]([NH2+]Cc1cc2cc(F)ccc2o1)c1cccs1 ZINC000426817417 332157290 /nfs/dbraw/zinc/15/72/90/332157290.db2.gz ORKXCNGTLJMZBD-CQSZACIVSA-N 0 2 305.330 3.549 20 0 DHADLN O=C(NC12C[C@@H]3C[C@H](C1)CC(C(F)(F)F)(C3)C2)C(F)(F)F ZINC000363676608 332217349 /nfs/dbraw/zinc/21/73/49/332217349.db2.gz WQWNMNGPHPACDU-JZVMUCMXSA-N 0 2 315.257 3.566 20 0 DHADLN C[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2O)C[C@H](C)O1 ZINC000408219933 332320351 /nfs/dbraw/zinc/32/03/51/332320351.db2.gz RNIVMTJQSOYSMA-AYMMMOKOSA-N 0 2 318.200 3.841 20 0 DHADLN C[C@H](c1ccccc1F)N(C)C(=O)c1cc(F)c(O)c(F)c1 ZINC000183372758 333056231 /nfs/dbraw/zinc/05/62/31/333056231.db2.gz FKQAUOIZEHCLKW-SECBINFHSA-N 0 2 309.287 3.643 20 0 DHADLN Cc1cc([C@@H](C)NC(=O)c2cc(F)c(O)c(F)c2)c(C)s1 ZINC000183383372 333056234 /nfs/dbraw/zinc/05/62/34/333056234.db2.gz AMMJUWNXAOOIHL-MRVPVSSYSA-N 0 2 311.353 3.840 20 0 DHADLN Cc1c(CNC(=O)c2cc(F)c(O)c(F)c2)oc2ccccc12 ZINC000183625311 333059664 /nfs/dbraw/zinc/05/96/64/333059664.db2.gz KEQGNQWYJHRKQA-UHFFFAOYSA-N 0 2 317.291 3.655 20 0 DHADLN Cc1ccc(CNC(=O)c2cc(F)c(O)c(Cl)c2)c(C)c1 ZINC000184239915 333351211 /nfs/dbraw/zinc/35/12/11/333351211.db2.gz HUCODHFEKORLLP-UHFFFAOYSA-N 0 2 307.752 3.732 20 0 DHADLN COCc1cccc(NC(=O)c2cc(F)c(O)c(Cl)c2)c1 ZINC000184241791 333351457 /nfs/dbraw/zinc/35/14/57/333351457.db2.gz IESNWQDSJGJIKW-UHFFFAOYSA-N 0 2 309.724 3.583 20 0 DHADLN CSCCc1ccc(NC(=O)c2cc(F)c(O)c(F)c2)cc1 ZINC000186774948 333378626 /nfs/dbraw/zinc/37/86/26/333378626.db2.gz GJLSFRAYHDBGRO-UHFFFAOYSA-N 0 2 323.364 3.828 20 0 DHADLN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(F)cc(Cl)c1O ZINC000152091615 333604929 /nfs/dbraw/zinc/60/49/29/333604929.db2.gz WQEFTHGQXUECMV-RULNRJAQSA-N 0 2 311.784 3.978 20 0 DHADLN Cc1ccc(C)c([C@@H]2CCCN2C(=O)[C@@H](F)C(F)(F)F)c1 ZINC000278404280 334096144 /nfs/dbraw/zinc/09/61/44/334096144.db2.gz OZKSRYYBYKTUJN-QWHCGFSZSA-N 0 2 303.299 3.867 20 0 DHADLN Cc1ccc(C)c([C@@H]2CCCN2C(=O)C(F)C(F)(F)F)c1 ZINC000278404280 334096145 /nfs/dbraw/zinc/09/61/45/334096145.db2.gz OZKSRYYBYKTUJN-QWHCGFSZSA-N 0 2 303.299 3.867 20 0 DHADLN Cc1nc(C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)c[nH]1 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O=C(c1cc(F)cc(Cl)c1O)N1CCC[C@@H]1c1ccccn1 ZINC000532658710 336265126 /nfs/dbraw/zinc/26/51/26/336265126.db2.gz AHFMTHNWFRLTMN-CQSZACIVSA-N 0 2 320.751 3.557 20 0 DHADLN COC[C@@H](Nc1nc(-c2ccc(C)cc2)no1)c1ccc(C)o1 ZINC000302043309 336345147 /nfs/dbraw/zinc/34/51/47/336345147.db2.gz MAYVLFQZPAAFSL-CQSZACIVSA-N 0 2 313.357 3.746 20 0 DHADLN COCCC1(C(=O)Nc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000355664227 336518379 /nfs/dbraw/zinc/51/83/79/336518379.db2.gz LJRPVOCJWLNDKZ-UHFFFAOYSA-N 0 2 318.200 3.844 20 0 DHADLN Cc1cccc(S(O)=CC(=O)NCCCC2CCCCC2)c1 ZINC000356021365 336532553 /nfs/dbraw/zinc/53/25/53/336532553.db2.gz NTWWIADWNBAQEW-JOCHJYFZSA-N 0 2 321.486 3.579 20 0 DHADLN CCSc1cccc(F)c1NC(=O)c1ncc(F)cc1F ZINC000362181969 336787018 /nfs/dbraw/zinc/78/70/18/336787018.db2.gz MCKZHNCEHJWLIR-UHFFFAOYSA-N 0 2 312.316 3.863 20 0 DHADLN Cc1nc(CC(C)C)c(NS(=O)(=O)c2ccccc2C)s1 ZINC000122470434 337009227 /nfs/dbraw/zinc/00/92/27/337009227.db2.gz AIGLEOJSYCFILV-UHFFFAOYSA-N 0 2 324.471 3.759 20 0 DHADLN 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317.197 3.970 20 0 DHADLN CCC(=O)c1cccc(NS(=O)(=O)c2cc(C)ccc2F)c1 ZINC000135389668 341238538 /nfs/dbraw/zinc/23/85/38/341238538.db2.gz HMVJOLCOHWHXMY-UHFFFAOYSA-N 0 2 321.373 3.528 20 0 DHADLN C=Cc1ccc(C(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1 ZINC000551572946 341346157 /nfs/dbraw/zinc/34/61/57/341346157.db2.gz WCHYIMQZIKIAIA-UHFFFAOYSA-N 0 2 313.407 3.584 20 0 DHADLN O=C(NC1(C(F)F)CCCCC1)c1cc(F)c(F)c(O)c1F ZINC000552860956 341406690 /nfs/dbraw/zinc/40/66/90/341406690.db2.gz JPNPSVCWRQLBGC-UHFFFAOYSA-N 0 2 323.261 3.507 20 0 DHADLN CO[C@H](C)c1nsc(N[C@H]2C[C@H](c3ccccc3Cl)C2)n1 ZINC000555269339 341478898 /nfs/dbraw/zinc/47/88/98/341478898.db2.gz QROSRHQODXYCNI-GMTAPVOTSA-N 0 2 323.849 3.679 20 0 DHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCC2(CCCC2)CC1 ZINC000153058163 341522583 /nfs/dbraw/zinc/52/25/83/341522583.db2.gz HAWGOSWXCWWNLD-UHFFFAOYSA-N 0 2 311.784 3.981 20 0 DHADLN C[C@@H]1[C@@H](C(=O)[O-])CCN1c1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000566297101 341553196 /nfs/dbraw/zinc/55/31/96/341553196.db2.gz MADVNSRDISRCLR-SKDRFNHKSA-N 0 2 324.302 3.553 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2O)c(C)s1 ZINC000338216370 525421339 /nfs/dbraw/zinc/42/13/39/525421339.db2.gz LZTCACJWJKZOFK-UHFFFAOYSA-N 0 2 317.819 3.525 20 0 DHADLN CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccoc3)ccc2o1 ZINC000285068022 534906610 /nfs/dbraw/zinc/90/66/10/534906610.db2.gz JVQFWSHOEFCJDS-UHFFFAOYSA-N 0 2 320.370 3.519 20 0 DHADLN O=C(COCC1CC1)Nc1c(O)c(Cl)cc(Cl)c1Cl ZINC000127738274 526929489 /nfs/dbraw/zinc/92/94/89/526929489.db2.gz PUOJLWXWHGJSDM-UHFFFAOYSA-N 0 2 324.591 3.718 20 0 DHADLN O=C(Nc1cccc2c1OCCC2)c1cc(F)c(O)c(Cl)c1 ZINC000365668194 527378953 /nfs/dbraw/zinc/37/89/53/527378953.db2.gz DSNUPRSSFSTRAA-UHFFFAOYSA-N 0 2 321.735 3.762 20 0 DHADLN CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(F)c(F)c(O)c1F ZINC000273396933 536066997 /nfs/dbraw/zinc/06/69/97/536066997.db2.gz PYDHZNPIAXUHGK-KWQFWETISA-N 0 2 301.308 3.508 20 0 DHADLN C[N@H+](Cc1cscn1)Cc1c2ccccc2sc1C(=O)[O-] ZINC000042866743 599936898 /nfs/dbraw/zinc/93/68/98/599936898.db2.gz JOTBEBDXTPUONE-UHFFFAOYSA-N 0 2 318.423 3.688 20 0 DHADLN C[N@@H+](Cc1cscn1)Cc1c2ccccc2sc1C(=O)[O-] ZINC000042866743 599936901 /nfs/dbraw/zinc/93/69/01/599936901.db2.gz JOTBEBDXTPUONE-UHFFFAOYSA-N 0 2 318.423 3.688 20 0 DHADLN O=C([O-])c1ccc2c(c1)C[N@@H+](Cc1cc(F)cc3cccnc31)C2 ZINC000326336836 600088715 /nfs/dbraw/zinc/08/87/15/600088715.db2.gz JJBCFOUHOQBGCT-UHFFFAOYSA-N 0 2 322.339 3.588 20 0 DHADLN O=C([O-])c1ccc2c(c1)C[N@H+](Cc1cc(F)cc3cccnc31)C2 ZINC000326336836 600088718 /nfs/dbraw/zinc/08/87/18/600088718.db2.gz JJBCFOUHOQBGCT-UHFFFAOYSA-N 0 2 322.339 3.588 20 0 DHADLN O=C([O-])[C@H]([NH2+]Cc1cccs1)c1ccc(Cl)cc1Cl ZINC000037966627 600731745 /nfs/dbraw/zinc/73/17/45/600731745.db2.gz KIYQUJMBDHLCPI-GFCCVEGCSA-N 0 2 316.209 3.970 20 0 DHADLN C[N@H+](Cc1ccsc1C(=O)[O-])Cc1c(F)cccc1Cl ZINC000830865211 601804558 /nfs/dbraw/zinc/80/45/58/601804558.db2.gz NFDICOPIWNPVBN-UHFFFAOYSA-N 0 2 313.781 3.871 20 0 DHADLN C[N@@H+](Cc1ccsc1C(=O)[O-])Cc1c(F)cccc1Cl ZINC000830865211 601804560 /nfs/dbraw/zinc/80/45/60/601804560.db2.gz NFDICOPIWNPVBN-UHFFFAOYSA-N 0 2 313.781 3.871 20 0 DHADLN Cc1ccc(-c2nc(C[N@@H+](C)C3(C(=O)[O-])CCCC3)cs2)o1 ZINC000659792316 604463598 /nfs/dbraw/zinc/46/35/98/604463598.db2.gz XGXKDAFCDLDOPL-UHFFFAOYSA-N 0 2 320.414 3.541 20 0 DHADLN Cc1ccc(-c2nc(C[N@H+](C)C3(C(=O)[O-])CCCC3)cs2)o1 ZINC000659792316 604463600 /nfs/dbraw/zinc/46/36/00/604463600.db2.gz XGXKDAFCDLDOPL-UHFFFAOYSA-N 0 2 320.414 3.541 20 0 DHADLN C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000833547928 605072148 /nfs/dbraw/zinc/07/21/48/605072148.db2.gz YZCLAAWNEGDDDW-OQPBUACISA-N 0 2 306.164 3.553 20 0 DHADLN C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000833547928 605072149 /nfs/dbraw/zinc/07/21/49/605072149.db2.gz YZCLAAWNEGDDDW-OQPBUACISA-N 0 2 306.164 3.553 20 0 DHADLN O=C([O-])c1cccc(C[N@H+](Cc2ccco2)Cc2cccnc2)c1 ZINC001611545083 971102705 /nfs/dbraw/zinc/10/27/05/971102705.db2.gz WCCRGBLIRSAQQC-UHFFFAOYSA-N 0 2 322.364 3.575 20 0 DHADLN O=C([O-])c1cccc(C[N@@H+](Cc2ccco2)Cc2cccnc2)c1 ZINC001611545083 971102710 /nfs/dbraw/zinc/10/27/10/971102710.db2.gz WCCRGBLIRSAQQC-UHFFFAOYSA-N 0 2 322.364 3.575 20 0 DHADLN CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1csc(-c2ccc(C)cc2)n1 ZINC000336850050 971515141 /nfs/dbraw/zinc/51/51/41/971515141.db2.gz LUNOEWKVYHBVJB-CYBMUJFWSA-N 0 2 318.442 3.804 20 0 DHADLN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1csc(-c2ccc(C)cc2)n1 ZINC000336850050 971515149 /nfs/dbraw/zinc/51/51/49/971515149.db2.gz LUNOEWKVYHBVJB-CYBMUJFWSA-N 0 2 318.442 3.804 20 0 DHADLN CC[C@H](C(=O)[O-])[N@H+](C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000650516432 954027518 /nfs/dbraw/zinc/02/75/18/954027518.db2.gz ADVCZIIEVRPMJD-CYBMUJFWSA-N 0 2 322.792 3.598 20 0 DHADLN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000650516432 954027527 /nfs/dbraw/zinc/02/75/27/954027527.db2.gz ADVCZIIEVRPMJD-CYBMUJFWSA-N 0 2 322.792 3.598 20 0 DHADLN Cc1cc(CNc2cccc(CC(=O)[O-])c2)c2c([nH+]1)CCCC2 ZINC000900036228 956293533 /nfs/dbraw/zinc/29/35/33/956293533.db2.gz VYTHCFVAOMLWGH-UHFFFAOYSA-N 0 2 310.397 3.508 20 0 DHADLN C[C@@H](Nc1ccc(C(=O)[O-])c[nH+]1)c1ccc(Br)cc1 ZINC000049526957 957478703 /nfs/dbraw/zinc/47/87/03/957478703.db2.gz QONWSRWQKYSSDI-SECBINFHSA-N 0 2 321.174 3.715 20 0 DHADLN Cc1ccccc1C(F)(F)C[NH2+]Cc1cccc(C(=O)[O-])c1 ZINC001574402062 961238333 /nfs/dbraw/zinc/23/83/33/961238333.db2.gz SNLYHBRUTNYQDM-UHFFFAOYSA-N 0 2 305.324 3.575 20 0 DHADLN CCc1oc(C[NH2+][C@@H](c2ncc(C)s2)C2CC2)cc1C(=O)[O-] ZINC001331943188 961421458 /nfs/dbraw/zinc/42/14/58/961421458.db2.gz IPROZJREKOCRKD-CQSZACIVSA-N 0 2 320.414 3.546 20 0 DHADLN CCCc1ccccc1NS(=O)(=O)c1cccc(OC)c1F ZINC000655556848 1013254933 /nfs/dbraw/zinc/25/49/33/1013254933.db2.gz OMKPMIPCJJNWPJ-UHFFFAOYSA-N 0 2 323.389 3.588 20 0 DHADLN CC(C)c1ocnc1C[N@@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001333570917 961720129 /nfs/dbraw/zinc/72/01/29/961720129.db2.gz CMYRCELMCQOESD-HOTGVXAUSA-N 0 2 314.385 3.588 20 0 DHADLN CC(C)c1ocnc1C[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001333570917 961720143 /nfs/dbraw/zinc/72/01/43/961720143.db2.gz CMYRCELMCQOESD-HOTGVXAUSA-N 0 2 314.385 3.588 20 0 DHADLN COc1ccc(C[N@H+](C)Cc2cc(C(=O)[O-])c(C)o2)c(Cl)c1 ZINC001334005682 961737471 /nfs/dbraw/zinc/73/74/71/961737471.db2.gz OAGCMGKSXKVXNU-UHFFFAOYSA-N 0 2 323.776 3.580 20 0 DHADLN COc1ccc(C[N@@H+](C)Cc2cc(C(=O)[O-])c(C)o2)c(Cl)c1 ZINC001334005682 961737483 /nfs/dbraw/zinc/73/74/83/961737483.db2.gz OAGCMGKSXKVXNU-UHFFFAOYSA-N 0 2 323.776 3.580 20 0 DHADLN Cc1csc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)c1 ZINC001125345474 1013449025 /nfs/dbraw/zinc/44/90/25/1013449025.db2.gz ODBWQSHPZZOIJY-UHFFFAOYSA-N 0 2 318.789 3.747 20 0 DHADLN N#C[C@@H](C(=O)COC1CCCCC1)c1ccc2ccccc2n1 ZINC000048858248 1013518448 /nfs/dbraw/zinc/51/84/48/1013518448.db2.gz RTTWCJIXZGTHJZ-MRXNPFEDSA-N 0 2 308.381 3.760 20 0 DHADLN CC[C@@H](CC(=O)Nc1nc(-c2ccccc2F)n[nH]1)C(C)C ZINC000520272929 1013691616 /nfs/dbraw/zinc/69/16/16/1013691616.db2.gz RUGGQXVPYNQOQC-NSHDSACASA-N 0 2 304.369 3.622 20 0 DHADLN CC(C)(C)CC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000520316593 1013708927 /nfs/dbraw/zinc/70/89/27/1013708927.db2.gz XTPHOVBXPLMJOW-UHFFFAOYSA-N 0 2 309.822 3.655 20 0 DHADLN CCc1ccc([C@@H](C)NC(=O)c2c(O)cc(F)cc2F)cc1 ZINC000620964447 1013790080 /nfs/dbraw/zinc/79/00/80/1013790080.db2.gz ILVIVLGPFYNFFD-SNVBAGLBSA-N 0 2 305.324 3.724 20 0 DHADLN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1nc(C2CCCCC2)cs1 ZINC001605011444 972616250 /nfs/dbraw/zinc/61/62/50/972616250.db2.gz OOCGOEHYLXMZRI-BXUZGUMPSA-N 0 2 308.447 3.628 20 0 DHADLN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1nc(C2CCCCC2)cs1 ZINC001605011444 972616254 /nfs/dbraw/zinc/61/62/54/972616254.db2.gz OOCGOEHYLXMZRI-BXUZGUMPSA-N 0 2 308.447 3.628 20 0 DHADLN O=S(=O)(/C=C\c1ccc(F)cc1)Nc1nc(C2CC2)cs1 ZINC000255194588 1014087000 /nfs/dbraw/zinc/08/70/00/1014087000.db2.gz YWSFYICBHKROTP-FPLPWBNLSA-N 0 2 324.402 3.572 20 0 DHADLN Cc1cc(C)cc([C@@H]([NH2+]Cc2cnc(C(C)C)s2)C(=O)[O-])c1 ZINC000417561044 973962535 /nfs/dbraw/zinc/96/25/35/973962535.db2.gz LCKJMJCXCSGKPN-OAHLLOKOSA-N 0 2 318.442 3.799 20 0 DHADLN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1nc2ccccc2o1 ZINC000581737592 974914864 /nfs/dbraw/zinc/91/48/64/974914864.db2.gz LXXMDSMUTAPDIK-INIZCTEOSA-N 0 2 324.380 3.866 20 0 DHADLN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1nc2ccccc2o1 ZINC000581737592 974914869 /nfs/dbraw/zinc/91/48/69/974914869.db2.gz LXXMDSMUTAPDIK-INIZCTEOSA-N 0 2 324.380 3.866 20 0 DHADLN O=S(=O)(Nc1cc(Cl)cc(Cl)c1O)C1=CCCCC1 ZINC000821191310 1029815488 /nfs/dbraw/zinc/81/54/88/1029815488.db2.gz MPYSYXSUJUSEST-UHFFFAOYSA-N 0 2 322.213 3.899 20 0 DHADLN CC(C)c1ncc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC001592033051 976747760 /nfs/dbraw/zinc/74/77/60/976747760.db2.gz GUTSUXALDDFSHJ-CQSZACIVSA-N 0 2 304.415 3.524 20 0 DHADLN CC(C)c1ncc(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2)s1 ZINC001592033051 976747767 /nfs/dbraw/zinc/74/77/67/976747767.db2.gz GUTSUXALDDFSHJ-CQSZACIVSA-N 0 2 304.415 3.524 20 0 DHADLN C[C@H](CC1CC1)Nc1ccc([NH+]2CCCCC2)c(C(=O)[O-])c1 ZINC001592460243 978182431 /nfs/dbraw/zinc/18/24/31/978182431.db2.gz SQQFAVQYXZJPNE-CYBMUJFWSA-N 0 2 302.418 3.976 20 0 DHADLN O=C(Nc1ccc2ccccc2c1)c1cc(O)ccc1[N+](=O)[O-] ZINC000391953813 1014484053 /nfs/dbraw/zinc/48/40/53/1014484053.db2.gz VJPBZVWQJXMWCY-UHFFFAOYSA-N 0 2 308.293 3.706 20 0 DHADLN O=C(CCC1CCCC1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000520968082 1014623738 /nfs/dbraw/zinc/62/37/38/1014623738.db2.gz SFNKMWHSBAOUBU-UHFFFAOYSA-N 0 2 307.444 3.597 20 0 DHADLN CC[C@H]([NH2+][C@@H](C)c1cc(C)c(C(=O)[O-])o1)c1nc(C)cs1 ZINC001595278739 980313321 /nfs/dbraw/zinc/31/33/21/980313321.db2.gz IFZWJHQGEBJLFV-QWRGUYRKSA-N 0 2 308.403 3.853 20 0 DHADLN CC(C)n1nccc1C[NH2+][C@H](C(=O)[O-])c1ccc2ccccc2c1 ZINC000901515972 980332578 /nfs/dbraw/zinc/33/25/78/980332578.db2.gz NZFBYUFRMJLLBK-SFHVURJKSA-N 0 2 323.396 3.533 20 0 DHADLN CCc1oc(C[NH2+][C@](C)(CC)c2nc(C)cs2)cc1C(=O)[O-] ZINC000902294298 980821094 /nfs/dbraw/zinc/82/10/94/980821094.db2.gz XGNKNOSMXLMOON-MRXNPFEDSA-N 0 2 322.430 3.720 20 0 DHADLN CSc1ccc(NS(=O)(=O)c2cccc(C)c2F)cc1 ZINC000313226820 1014783273 /nfs/dbraw/zinc/78/32/73/1014783273.db2.gz ZVHCOJNFLXBBIB-UHFFFAOYSA-N 0 2 311.403 3.657 20 0 DHADLN CSc1ccccc1NS(=O)(=O)c1cccc(C)c1F ZINC000313226575 1014783898 /nfs/dbraw/zinc/78/38/98/1014783898.db2.gz ZAZRUMDLNNXBFY-UHFFFAOYSA-N 0 2 311.403 3.657 20 0 DHADLN Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c1F ZINC000313234671 1014799451 /nfs/dbraw/zinc/79/94/51/1014799451.db2.gz GDWSWWBIEMHKHD-UHFFFAOYSA-N 0 2 313.781 3.897 20 0 DHADLN Fc1c(Cl)cc(Cl)c(F)c1Nc1noc2nccnc12 ZINC001215937742 1015080689 /nfs/dbraw/zinc/08/06/89/1015080689.db2.gz ZZBIATZQHMFDGK-UHFFFAOYSA-N 0 2 317.082 3.946 20 0 DHADLN Cc1cccc(S(=O)(=O)Nc2cc(C3CCCCC3)n[nH]2)c1 ZINC000474437284 1015360362 /nfs/dbraw/zinc/36/03/62/1015360362.db2.gz YWJDKJQQGILBNK-UHFFFAOYSA-N 0 2 319.430 3.567 20 0 DHADLN CCc1ccc(C[NH2+][C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)nc1 ZINC001597530050 988179086 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DHADLN COCCCC[C@@H](NC(=O)[C@H](F)C(F)(F)F)c1ccccc1 ZINC000811478833 1027016809 /nfs/dbraw/zinc/01/68/09/1027016809.db2.gz WULBBCFWLVYLQP-OLZOCXBDSA-N 0 2 321.314 3.561 20 0 DHADLN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)C(F)C(F)(F)F)C1 ZINC000365441333 1027948370 /nfs/dbraw/zinc/94/83/70/1027948370.db2.gz GBZBIHNWJAOOAL-WZRBSPASSA-N 0 2 303.299 3.600 20 0 DHADLN Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000365441333 1027948376 /nfs/dbraw/zinc/94/83/76/1027948376.db2.gz GBZBIHNWJAOOAL-WZRBSPASSA-N 0 2 303.299 3.600 20 0 DHADLN Cc1cccc([C@H](C)C[NH2+][C@@H](c2cccs2)c2nnc[nH]2)c1 ZINC000577873009 1027969671 /nfs/dbraw/zinc/96/96/71/1027969671.db2.gz KBHABGOHFSSCPU-CJNGLKHVSA-N 0 2 312.442 3.657 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000365593751 1027976621 /nfs/dbraw/zinc/97/66/21/1027976621.db2.gz FMEKPSRZUVETPQ-AYSSICMYSA-N 0 2 301.283 3.591 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000365593751 1027976633 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Cc1csc([C@@H](C#N)C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC000048788846 1028247972 /nfs/dbraw/zinc/24/79/72/1028247972.db2.gz VUMMERKFWHNKDJ-VWYCJHECSA-N 0 2 316.348 3.997 20 0 DHADLN CC(C)[C@@H]1c2ccccc2CCN1C(=O)C(F)C(F)(F)F ZINC000815821980 1028632526 /nfs/dbraw/zinc/63/25/26/1028632526.db2.gz RNCUZRQBDARUCR-OLZOCXBDSA-N 0 2 303.299 3.669 20 0 DHADLN CC(C)[C@@H]1c2ccccc2CCN1C(=O)[C@H](F)C(F)(F)F ZINC000815821980 1028632532 /nfs/dbraw/zinc/63/25/32/1028632532.db2.gz RNCUZRQBDARUCR-OLZOCXBDSA-N 0 2 303.299 3.669 20 0 DHADLN CCc1onc(C)c1NC(=O)c1snc(Cl)c1Cl ZINC000816956828 1029040630 /nfs/dbraw/zinc/04/06/30/1029040630.db2.gz XWWKQBSGUNOZHV-UHFFFAOYSA-N 0 2 306.174 3.561 20 0 DHADLN Cc1csc(C(C#N)C(=O)C2(Cc3ccccc3F)CC2)n1 ZINC000190749112 1029138558 /nfs/dbraw/zinc/13/85/58/1029138558.db2.gz HDQAAVDHJGWMAT-ZDUSSCGKSA-N 0 2 314.385 3.790 20 0 DHADLN Cc1csc([C@@H](C#N)C(=O)C2(Cc3ccccc3F)CC2)n1 ZINC000190749112 1029138565 /nfs/dbraw/zinc/13/85/65/1029138565.db2.gz HDQAAVDHJGWMAT-ZDUSSCGKSA-N 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CCC(C)(C)c1ccc(S(=O)(=O)Nc2nc(C)c(C)o2)cc1 ZINC000481947445 1035037615 /nfs/dbraw/zinc/03/76/15/1035037615.db2.gz YNSMQGQUSFPPAI-UHFFFAOYSA-N 0 2 322.430 3.780 20 0 DHADLN O=C([O-])/C=C/c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC001176596018 1035293934 /nfs/dbraw/zinc/29/39/34/1035293934.db2.gz ZXXOPNJWLUFSOC-BJMVGYQFSA-N 0 2 319.364 3.773 20 0 DHADLN COc1cc(NC(=O)c2cc(F)c(O)c(F)c2)ccc1Cl ZINC000194901206 1035350442 /nfs/dbraw/zinc/35/04/42/1035350442.db2.gz HTVLQZXIBSUOCP-UHFFFAOYSA-N 0 2 313.687 3.585 20 0 DHADLN C/C=C(C)/C=C/C(=O)Nc1ccc(F)c(Br)c1O ZINC001178512975 1035433357 /nfs/dbraw/zinc/43/33/57/1035433357.db2.gz URKQEONAWXPJFI-ZHLKMWHVSA-N 0 2 314.154 3.755 20 0 DHADLN Cc1ccc(-c2n[nH]c(NC(=O)c3ncoc3C(C)C)c2C)o1 ZINC000774043593 1036135428 /nfs/dbraw/zinc/13/54/28/1036135428.db2.gz CCXTWBBRJWLUEP-UHFFFAOYSA-N 0 2 314.345 3.650 20 0 DHADLN Cc1cc(NS(=O)(=O)c2cccc(C(C)C)c2)n(C(C)C)n1 ZINC001195115934 1036138691 /nfs/dbraw/zinc/13/86/91/1036138691.db2.gz IGBKVKVAVRYXMV-UHFFFAOYSA-N 0 2 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PQOSGSGEWUAINS-AWEZNQCLSA-N 0 2 304.777 3.568 20 0 DHADLN Cc1nc(C(C)(C)NC(=O)c2cccc(Cl)c2O)sc1C ZINC000775751094 1036661134 /nfs/dbraw/zinc/66/11/34/1036661134.db2.gz WOAJONPUBLCEOG-UHFFFAOYSA-N 0 2 324.833 3.784 20 0 DHADLN CO[C@@H]1CCC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2O)C1 ZINC000495500700 1036691254 /nfs/dbraw/zinc/69/12/54/1036691254.db2.gz BUPWWVOPPDTZIN-WCBMZHEXSA-N 0 2 318.200 3.843 20 0 DHADLN C[C@H]1CN(C(=O)c2cccc(Cl)c2O)[C@H]1c1ccccc1 ZINC000775760829 1036700397 /nfs/dbraw/zinc/70/03/97/1036700397.db2.gz MSTJHVTUIXMJPT-XHDPSFHLSA-N 0 2 301.773 3.879 20 0 DHADLN CC(C)[C@@H](CNC(=O)c1cccc(Cl)c1O)c1cccnc1 ZINC000775771529 1036764509 /nfs/dbraw/zinc/76/45/09/1036764509.db2.gz PTKHPWCXPUYZMK-CQSZACIVSA-N 0 2 318.804 3.610 20 0 DHADLN C[C@H](c1cccc(O)c1)N(C)C(=O)c1cccc(Cl)c1O ZINC000775772915 1036770524 /nfs/dbraw/zinc/77/05/24/1036770524.db2.gz DHFAYYIZFCVKMP-SNVBAGLBSA-N 0 2 305.761 3.584 20 0 DHADLN Cc1nn(C)c(C)c1Nc1nc(-c2cc(F)cc(F)c2)ns1 ZINC001184491743 1036844256 /nfs/dbraw/zinc/84/42/56/1036844256.db2.gz ULIPOKBYDRFMAB-UHFFFAOYSA-N 0 2 321.356 3.577 20 0 DHADLN CCCCN(CCCC)C(=O)C1=NN(c2ccccc2)CC1=O ZINC000175399233 1037042566 /nfs/dbraw/zinc/04/25/66/1037042566.db2.gz RPZHWHGHMGLJEN-UHFFFAOYSA-N 0 2 315.417 3.620 20 0 DHADLN Cc1nc(NS(=O)(=O)c2cc3ccccc3s2)sc1C ZINC001185421019 1037133616 /nfs/dbraw/zinc/13/36/16/1037133616.db2.gz GOEYLVZKIUFNDS-UHFFFAOYSA-N 0 2 324.452 3.775 20 0 DHADLN CC(C)c1cccnc1NS(=O)(=O)c1ccc2occc2c1 ZINC001198829061 1037134279 /nfs/dbraw/zinc/13/42/79/1037134279.db2.gz ODLXKXVZJBSOHB-UHFFFAOYSA-N 0 2 316.382 3.752 20 0 DHADLN Cc1sc2[nH]c(-c3ccc(O)c(Cl)c3)nc(=O)c2c1C ZINC000055492806 1037436811 /nfs/dbraw/zinc/43/68/11/1037436811.db2.gz UEPDRAZLOINDGL-UHFFFAOYSA-N 0 2 306.774 3.627 20 0 DHADLN Cc1cnc(NS(=O)(=O)/C=C\c2ccc(Cl)cc2)s1 ZINC000916101953 1037681333 /nfs/dbraw/zinc/68/13/33/1037681333.db2.gz FUKVYJQHYOVNNP-SREVYHEPSA-N 0 2 314.819 3.518 20 0 DHADLN Cc1csc(NS(=O)(=O)/C=C\c2ccc(Cl)cc2)n1 ZINC000916101538 1037681977 /nfs/dbraw/zinc/68/19/77/1037681977.db2.gz YBUHYJNCMLURGS-SREVYHEPSA-N 0 2 314.819 3.518 20 0 DHADLN O=C(NCc1ccco1)Nc1ccc(Cl)c(Cl)c1O ZINC001188171939 1037835241 /nfs/dbraw/zinc/83/52/41/1037835241.db2.gz UCQJYBXKWDYHKM-UHFFFAOYSA-N 0 2 301.129 3.614 20 0 DHADLN Cc1nc(F)ccc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001201850486 1037920944 /nfs/dbraw/zinc/92/09/44/1037920944.db2.gz FAVUXXSWXFSJCH-ZDUSSCGKSA-N 0 2 310.376 3.566 20 0 DHADLN O=S(=O)(Nc1ccc(-c2cccs2)cc1)c1ccoc1 ZINC001188606892 1037928387 /nfs/dbraw/zinc/92/83/87/1037928387.db2.gz RWGCNVYVPRANKO-UHFFFAOYSA-N 0 2 305.380 3.809 20 0 DHADLN N#CC(C(=O)C=Cc1ccccc1F)c1nc2ccccc2o1 ZINC000054734942 1037947074 /nfs/dbraw/zinc/94/70/74/1037947074.db2.gz SQCHWJLCCVUTNS-LXKVQUBZSA-N 0 2 306.296 3.857 20 0 DHADLN Cc1cc(CCNC(=O)c2cccc(Cl)c2O)ccc1Cl ZINC001273917814 1037948184 /nfs/dbraw/zinc/94/81/84/1037948184.db2.gz RNAINGZHCGYQDM-UHFFFAOYSA-N 0 2 324.207 3.980 20 0 DHADLN CCC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C)ns2)cc1 ZINC001190424276 1038315432 /nfs/dbraw/zinc/31/54/32/1038315432.db2.gz XJMAMGWDCSPDFW-UHFFFAOYSA-N 0 2 324.471 3.940 20 0 DHADLN CCCc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)co2)cc1 ZINC000572729814 1038495132 /nfs/dbraw/zinc/49/51/32/1038495132.db2.gz QLYVGRJLDGIHKV-UHFFFAOYSA-N 0 2 322.430 3.725 20 0 DHADLN Cc1cccc2cc(C(=O)N=c3nc(C(C)(C)C)[nH]s3)oc21 ZINC000589937895 1038556925 /nfs/dbraw/zinc/55/69/25/1038556925.db2.gz YSDHGNYYXRVWIS-UHFFFAOYSA-N 0 2 315.398 3.564 20 0 DHADLN O=C(CCCc1ccccc1)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000590405223 1038635974 /nfs/dbraw/zinc/63/59/74/1038635974.db2.gz UTUJOFWXIMEHEA-UHFFFAOYSA-N 0 2 324.359 3.572 20 0 DHADLN O=C(NC1CCC(C(F)(F)F)CC1)c1cc(F)c(O)cc1F ZINC001192876488 1038705975 /nfs/dbraw/zinc/70/59/75/1038705975.db2.gz KHPPBNKAMVJZGM-UHFFFAOYSA-N 0 2 323.261 3.521 20 0 DHADLN CC(C)[C@H](NC(=O)c1cc(F)c(O)cc1F)c1ccc(F)cc1 ZINC001192876516 1038706033 /nfs/dbraw/zinc/70/60/33/1038706033.db2.gz KZJFIRQYVQSNTN-INIZCTEOSA-N 0 2 323.314 3.937 20 0 DHADLN CC(C)C[C@H](NC(=O)c1cc(F)c(O)cc1F)c1ccccn1 ZINC001192887173 1038712484 /nfs/dbraw/zinc/71/24/84/1038712484.db2.gz CQHWPHDKZCUZJG-HNNXBMFYSA-N 0 2 320.339 3.583 20 0 DHADLN Cc1cc2cc(NS(=O)(=O)c3ccc(C)cc3F)ccc2[nH]1 ZINC000591680226 1038960150 /nfs/dbraw/zinc/96/01/50/1038960150.db2.gz FFMRBWXTWGATPL-UHFFFAOYSA-N 0 2 318.373 3.725 20 0 DHADLN Cc1cccc([C@H](C)NC(=O)c2c(O)cc(F)cc2F)c1C ZINC000604606244 1039504974 /nfs/dbraw/zinc/50/49/74/1039504974.db2.gz JSJQAIYOAUOWJL-NSHDSACASA-N 0 2 305.324 3.778 20 0 DHADLN Cc1cccc([C@@H](C)NC(=O)c2c(O)cc(F)cc2F)c1C ZINC000604606243 1039505499 /nfs/dbraw/zinc/50/54/99/1039505499.db2.gz JSJQAIYOAUOWJL-LLVKDONJSA-N 0 2 305.324 3.778 20 0 DHADLN C[C@@]1(F)CCN(Cc2ccc(Cl)c(O)c2Cl)C[C@H]1F ZINC001232625508 1039868957 /nfs/dbraw/zinc/86/89/57/1039868957.db2.gz NFDQNCCFTQROGS-ZWNOBZJWSA-N 0 2 310.171 3.971 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@H](O)C1CCCCC1 ZINC000188673080 200285830 /nfs/dbraw/zinc/28/58/30/200285830.db2.gz HSSUZXJWOMVEBZ-GFCCVEGCSA-N 0 2 318.200 3.579 20 0 DHADLN CCONC(=O)C(C)(C)c1csc(-c2ccc(F)cc2C)n1 ZINC000289475455 131388713 /nfs/dbraw/zinc/38/87/13/131388713.db2.gz HTQZRSXNYYPZNG-UHFFFAOYSA-N 0 2 322.405 3.603 20 0 DHADLN CC(C)(C)N(Cc1ccc(F)cc1)C(=O)[C@H](F)C(F)(F)F ZINC000297588233 132024471 /nfs/dbraw/zinc/02/44/71/132024471.db2.gz CCKOMNROPSABLQ-NSHDSACASA-N 0 2 309.278 3.853 20 0 DHADLN CC(C)(C)N(Cc1ccc(F)cc1)C(=O)C(F)C(F)(F)F ZINC000297588233 132024472 /nfs/dbraw/zinc/02/44/72/132024472.db2.gz CCKOMNROPSABLQ-NSHDSACASA-N 0 2 309.278 3.853 20 0 DHADLN COc1ccc(CN(C(=O)[C@@H](F)C(F)(F)F)C(C)(C)C)cc1 ZINC000297832394 132036067 /nfs/dbraw/zinc/03/60/67/132036067.db2.gz QSLHDDOPWIVULT-GFCCVEGCSA-N 0 2 321.314 3.723 20 0 DHADLN COc1ccc(CN(C(=O)C(F)C(F)(F)F)C(C)(C)C)cc1 ZINC000297832394 132036068 /nfs/dbraw/zinc/03/60/68/132036068.db2.gz QSLHDDOPWIVULT-GFCCVEGCSA-N 0 2 321.314 3.723 20 0 DHADLN CCC[C@@H]1C[C@@H](C(=O)Nc2cccc(N(C)C)c2C)CCO1 ZINC000180618900 331574419 /nfs/dbraw/zinc/57/44/19/331574419.db2.gz YNZRGOZAGYPNFN-LSDHHAIUSA-N 0 2 304.434 3.595 20 0 DHADLN C[C@@H]1C[C@H](C)CN1C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000525444832 331574426 /nfs/dbraw/zinc/57/44/26/331574426.db2.gz QCMFZCSMSYCADL-VHSXEESVSA-N 0 2 302.296 3.847 20 0 DHADLN CCCN1c2ccc(NC(=O)[C@H](C)[C@H](C)CC)cc2CCC1=O ZINC000180611720 331574453 /nfs/dbraw/zinc/57/44/53/331574453.db2.gz NRKSBGGFBKIJHB-ZIAGYGMSSA-N 0 2 316.445 3.997 20 0 DHADLN Cc1ccccc1OCCCN1CCC(=O)N(C)c2ccccc21 ZINC000533531952 331574491 /nfs/dbraw/zinc/57/44/91/331574491.db2.gz OKQOZKCAPZPTOQ-UHFFFAOYSA-N 0 2 324.424 3.637 20 0 DHADLN C[C@H](Nc1nc(C(F)(F)F)ns1)[C@@H](C)c1ccccc1 ZINC000557628987 331803825 /nfs/dbraw/zinc/80/38/25/331803825.db2.gz VMSSMFYDOBNMHL-BDAKNGLRSA-N 0 2 301.337 3.583 20 0 DHADLN CCCN(CC)C(=O)C1=NN(c2cccc(C(C)C)c2)CC1=O ZINC000584244317 331950717 /nfs/dbraw/zinc/95/07/17/331950717.db2.gz FBAHIGGAJBXWOD-UHFFFAOYSA-N 0 2 315.417 3.573 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1Cc2ccccc2O1 ZINC000130107010 332022731 /nfs/dbraw/zinc/02/27/31/332022731.db2.gz CPEYKGSLFHGNOM-CYBMUJFWSA-N 0 2 324.163 3.641 20 0 DHADLN O=C([O-])[C@@H]([NH2+]Cc1cc(Cl)ccc1Cl)c1cccs1 ZINC000426790252 332153811 /nfs/dbraw/zinc/15/38/11/332153811.db2.gz BXHBRESOBFIKLG-LBPRGKRZSA-N 0 2 316.209 3.970 20 0 DHADLN COCc1cccc(NC(=O)c2cc(F)cc(Cl)c2O)c1 ZINC000177039032 332967903 /nfs/dbraw/zinc/96/79/03/332967903.db2.gz CFVLJUZVVVRBCK-UHFFFAOYSA-N 0 2 309.724 3.583 20 0 DHADLN C[C@H](c1ccc(F)c(F)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179169465 333024747 /nfs/dbraw/zinc/02/47/47/333024747.db2.gz JHOATPSWXXKUST-ZXYWRSMDSA-N 0 2 320.427 3.975 20 0 DHADLN C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2O)[C@@H]2CCCC[C@@H]21 ZINC000180883913 333028864 /nfs/dbraw/zinc/02/88/64/333028864.db2.gz WFEJAQHZHNHLMS-GLXFQSAKSA-N 0 2 311.784 3.835 20 0 DHADLN C[C@@H](c1ccccc1Cl)[N@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC000378657985 333041473 /nfs/dbraw/zinc/04/14/73/333041473.db2.gz DLRFLIGYXCGGQB-VIFPVBQESA-N 0 2 310.806 3.688 20 0 DHADLN C[C@@H](c1ccccc1Cl)[N@@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC000378657985 333041475 /nfs/dbraw/zinc/04/14/75/333041475.db2.gz DLRFLIGYXCGGQB-VIFPVBQESA-N 0 2 310.806 3.688 20 0 DHADLN O=C(Nc1ccccc1OC(F)F)c1cc(F)c(O)c(F)c1 ZINC000183347377 333055875 /nfs/dbraw/zinc/05/58/75/333055875.db2.gz LVTBGCZWTQGQJN-UHFFFAOYSA-N 0 2 315.222 3.524 20 0 DHADLN COc1ccc([C@@H](C)N(C)C(=O)c2cc(F)c(O)c(F)c2)cc1 ZINC000183357108 333056021 /nfs/dbraw/zinc/05/60/21/333056021.db2.gz KYMGNFISORAFBV-SNVBAGLBSA-N 0 2 321.323 3.512 20 0 DHADLN O=C(/C=C\c1cncs1)Nc1cc(Cl)cc(Cl)c1O ZINC000493520285 333337860 /nfs/dbraw/zinc/33/78/60/333337860.db2.gz LZPOARYFVUFRKE-UPHRSURJSA-N 0 2 315.181 3.807 20 0 DHADLN O=C(Nc1ccc2c(c1)CCC2)c1cc(F)c(O)c(Cl)c1 ZINC000184179294 333342943 /nfs/dbraw/zinc/34/29/43/333342943.db2.gz ZQFUSXKTUQEFBP-UHFFFAOYSA-N 0 2 305.736 3.926 20 0 DHADLN O=C(NCCCc1ccccc1)c1cc(F)c(O)c(Cl)c1 ZINC000184175060 333343180 /nfs/dbraw/zinc/34/31/80/333343180.db2.gz PDIOPCDCYADPIP-UHFFFAOYSA-N 0 2 307.752 3.547 20 0 DHADLN Cc1cc([C@@H](C)NC(=O)c2cc(F)c(O)c(Cl)c2)c(C)o1 ZINC000184332096 333355772 /nfs/dbraw/zinc/35/57/72/333355772.db2.gz CBVGSKVSQCNYRI-MRVPVSSYSA-N 0 2 311.740 3.886 20 0 DHADLN Cc1coc2ccc(NC(=O)c3cc(F)c(O)c(F)c3)cc12 ZINC000185796901 333371338 /nfs/dbraw/zinc/37/13/38/333371338.db2.gz AVALKKGOZRLBIO-UHFFFAOYSA-N 0 2 303.264 3.977 20 0 DHADLN CSc1cccc(N(C)C(=O)c2cc(F)c(O)c(F)c2)c1 ZINC000186763336 333377777 /nfs/dbraw/zinc/37/77/77/333377777.db2.gz LEGGTZVLMDIKJU-UHFFFAOYSA-N 0 2 309.337 3.669 20 0 DHADLN CCc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)s1 ZINC000048652446 333513418 /nfs/dbraw/zinc/51/34/18/333513418.db2.gz FAHHVDKGCRPUHG-UHFFFAOYSA-N 0 2 301.820 3.765 20 0 DHADLN O=S(=O)(Nc1ccc(Cl)cc1)c1cccc(Cl)c1F ZINC000048652553 334291010 /nfs/dbraw/zinc/29/10/10/334291010.db2.gz KONXHCZCAHPQBT-UHFFFAOYSA-N 0 2 320.172 3.933 20 0 DHADLN CCc1noc(C)c1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000164881471 334672828 /nfs/dbraw/zinc/67/28/28/334672828.db2.gz QXGSQFCFDVBBBW-UHFFFAOYSA-N 0 2 322.430 3.644 20 0 DHADLN CCc1nc(C)c(NS(=O)(=O)c2ccccc2C(C)C)s1 ZINC000330945049 334823373 /nfs/dbraw/zinc/82/33/73/334823373.db2.gz FGQSTKFXXYVVDP-UHFFFAOYSA-N 0 2 324.471 3.938 20 0 DHADLN O=S(=O)(Nc1ccc2ccoc2c1)c1ccc(Cl)s1 ZINC000442843417 335259254 /nfs/dbraw/zinc/25/92/54/335259254.db2.gz DFHJHVNMDSEJNC-UHFFFAOYSA-N 0 2 313.787 3.949 20 0 DHADLN Cn1ccc(C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)c1 ZINC000344949698 335287475 /nfs/dbraw/zinc/28/74/75/335287475.db2.gz MPJBVWMAKHDPLL-UHFFFAOYSA-N 0 2 319.575 3.943 20 0 DHADLN O=S(=O)(Nc1ccc(Cl)cc1-n1cccc1)c1ccoc1 ZINC000349944356 335712058 /nfs/dbraw/zinc/71/20/58/335712058.db2.gz LSJBUWROVWHXNL-UHFFFAOYSA-N 0 2 322.773 3.525 20 0 DHADLN Cc1cccc(S(=O)(=O)Nc2ncccc2-c2ccccc2)c1 ZINC000536127768 335822007 /nfs/dbraw/zinc/82/20/07/335822007.db2.gz TUINCIWGSKTFSE-UHFFFAOYSA-N 0 2 324.405 3.858 20 0 DHADLN CN(C(=O)c1cc(F)c(F)c(O)c1F)c1ccc2cc[nH]c2c1 ZINC000352419633 336217258 /nfs/dbraw/zinc/21/72/58/336217258.db2.gz SRUOPEWVULQUGS-UHFFFAOYSA-N 0 2 320.270 3.567 20 0 DHADLN Cc1cc(NC[C@@H](c2cccs2)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000301062603 336287868 /nfs/dbraw/zinc/28/78/68/336287868.db2.gz MPUWJOLDIULTGN-ZDUSSCGKSA-N 0 2 304.463 3.685 20 0 DHADLN CC(C)c1nc(N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000302896541 336373663 /nfs/dbraw/zinc/37/36/63/336373663.db2.gz PFWWPFQOKFWBEJ-CABCVRRESA-N 0 2 318.509 3.816 20 0 DHADLN C[C@@H]1[C@H](NC(=O)c2cc(F)c(O)c(F)c2)C[C@@H]1c1ccccc1 ZINC000375170450 337005068 /nfs/dbraw/zinc/00/50/68/337005068.db2.gz GHAOROPMVTZRSJ-YNZJMPHRSA-N 0 2 317.335 3.592 20 0 DHADLN O=c1nc(CN2CC3(CCC3)c3ccccc32)[nH]c2ccsc21 ZINC000375455506 337011465 /nfs/dbraw/zinc/01/14/65/337011465.db2.gz BJTCLSUBKKKXPK-UHFFFAOYSA-N 0 2 323.421 3.839 20 0 DHADLN C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)CC[C@H]1c1ccccc1 ZINC000377929746 337064058 /nfs/dbraw/zinc/06/40/58/337064058.db2.gz AUXQWYLAEYJQLG-RTXFEEFZSA-N 0 2 303.299 3.539 20 0 DHADLN C[C@@H]1CN(C(=O)C(F)C(F)(F)F)CC[C@H]1c1ccccc1 ZINC000377929746 337064059 /nfs/dbraw/zinc/06/40/59/337064059.db2.gz AUXQWYLAEYJQLG-RTXFEEFZSA-N 0 2 303.299 3.539 20 0 DHADLN CC(C)c1cccc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)c1 ZINC000172889465 337132152 /nfs/dbraw/zinc/13/21/52/337132152.db2.gz RXSPYJUTXVONDE-UHFFFAOYSA-N 0 2 321.446 3.562 20 0 DHADLN C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000179433004 337169350 /nfs/dbraw/zinc/16/93/50/337169350.db2.gz CEXVKOBPZVJRRY-HUUCEWRRSA-N 0 2 301.409 3.575 20 0 DHADLN O=C(c1cc(F)c(O)c(Cl)c1)N1CC[C@@H](c2ccccc2)C1 ZINC000184338692 337197905 /nfs/dbraw/zinc/19/79/05/337197905.db2.gz UHJLSFSPUYLWGG-GFCCVEGCSA-N 0 2 319.763 3.814 20 0 DHADLN O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)C(F)(F)F ZINC000119023484 337394194 /nfs/dbraw/zinc/39/41/94/337394194.db2.gz GFHXEBNYSBRMQU-LBPRGKRZSA-N 0 2 314.694 3.503 20 0 DHADLN Cc1ccc([C@H](C)NC(=O)c2cc(F)c(O)c(Cl)c2)cc1 ZINC000194391090 338521064 /nfs/dbraw/zinc/52/10/64/338521064.db2.gz XQYGEPWEQKAONF-JTQLQIEISA-N 0 2 307.752 3.984 20 0 DHADLN O=C(Nc1cccc2cc[nH]c21)c1cc(F)c(O)c(Cl)c1 ZINC000572434079 337644471 /nfs/dbraw/zinc/64/44/71/337644471.db2.gz FNUBILGZGMEUCR-UHFFFAOYSA-N 0 2 304.708 3.918 20 0 DHADLN Cc1ncc(S(=O)(=O)Nc2ccccc2CCC(C)C)s1 ZINC000533165404 337832679 /nfs/dbraw/zinc/83/26/79/337832679.db2.gz VJUHWZSOPOPMSV-UHFFFAOYSA-N 0 2 324.471 3.841 20 0 DHADLN CC(C)c1csc(NS(=O)(=O)c2ccc(C3CC3)cc2)n1 ZINC000517011120 338007363 /nfs/dbraw/zinc/00/73/63/338007363.db2.gz ISORZWAJNUDMCC-UHFFFAOYSA-N 0 2 322.455 3.945 20 0 DHADLN Cc1cc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)s1 ZINC000431146043 338124075 /nfs/dbraw/zinc/12/40/75/338124075.db2.gz KXPHZVFCAYSDQZ-UHFFFAOYSA-N 0 2 301.820 3.819 20 0 DHADLN O=C(NCC1CCC(F)(F)CC1)c1cc(F)cc(Cl)c1O ZINC000436509675 338274519 /nfs/dbraw/zinc/27/45/19/338274519.db2.gz BMKMABMWDARSSU-UHFFFAOYSA-N 0 2 321.726 3.740 20 0 DHADLN CC(C)(C)[C@@H]1CCCN(C(=O)c2cc(F)c(O)c(F)c2)CC1 ZINC000436523725 338275207 /nfs/dbraw/zinc/27/52/07/338275207.db2.gz VHGFXPKMJZUYFL-GFCCVEGCSA-N 0 2 311.372 3.959 20 0 DHADLN 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ZINC001595244710 949504640 /nfs/dbraw/zinc/50/46/40/949504640.db2.gz MFWFEVVJKZKFCK-UHFFFAOYSA-N 0 2 301.733 3.527 20 0 DHADLN CC(C)c1ccc(SCC(=O)NOCCC(F)(F)F)cc1 ZINC000777975082 1032065274 /nfs/dbraw/zinc/06/52/74/1032065274.db2.gz VWTDHTGLJOXHDI-UHFFFAOYSA-N 0 2 321.364 3.902 20 0 DHADLN C[N@H+](Cc1ccc(Cl)s1)Cc1cc(C(=O)[O-])ccc1F ZINC000062753836 957608939 /nfs/dbraw/zinc/60/89/39/957608939.db2.gz SGBKDYWOOTUPCI-UHFFFAOYSA-N 0 2 313.781 3.871 20 0 DHADLN C[N@@H+](Cc1ccc(Cl)s1)Cc1cc(C(=O)[O-])ccc1F ZINC000062753836 957608942 /nfs/dbraw/zinc/60/89/42/957608942.db2.gz SGBKDYWOOTUPCI-UHFFFAOYSA-N 0 2 313.781 3.871 20 0 DHADLN C[C@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)[C@@H](C(=O)[O-])C1 ZINC000229296453 960072493 /nfs/dbraw/zinc/07/24/93/960072493.db2.gz PIVGWMHKDHTAEA-GXFFZTMASA-N 0 2 322.455 3.557 20 0 DHADLN C[C@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)[C@@H](C(=O)[O-])C1 ZINC000229296453 960072500 /nfs/dbraw/zinc/07/25/00/960072500.db2.gz PIVGWMHKDHTAEA-GXFFZTMASA-N 0 2 322.455 3.557 20 0 DHADLN CC[C@@H](NC(=O)c1cc(F)cc(Cl)c1O)c1nccs1 ZINC000152895117 1014085883 /nfs/dbraw/zinc/08/58/83/1014085883.db2.gz NFVABIMIKOLMSF-SNVBAGLBSA-N 0 2 314.769 3.522 20 0 DHADLN COc1cc(NS(=O)(=O)c2cc(C)ccc2F)c(C)cc1C ZINC000478708476 1033557069 /nfs/dbraw/zinc/55/70/69/1033557069.db2.gz CUOZTUQXRKRKOC-UHFFFAOYSA-N 0 2 323.389 3.560 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCC[C@@H]1CC1CCCC1 ZINC000655363253 1014173499 /nfs/dbraw/zinc/17/34/99/1014173499.db2.gz MCCVRXBTRKPRFE-CYBMUJFWSA-N 0 2 309.356 3.855 20 0 DHADLN COc1ccc(Cl)c(C[N@H+](C)Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000566361804 974609382 /nfs/dbraw/zinc/60/93/82/974609382.db2.gz MPSQFUCOYMITOL-UHFFFAOYSA-N 0 2 323.776 3.580 20 0 DHADLN COc1ccc(Cl)c(C[N@@H+](C)Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000566361804 974609383 /nfs/dbraw/zinc/60/93/83/974609383.db2.gz MPSQFUCOYMITOL-UHFFFAOYSA-N 0 2 323.776 3.580 20 0 DHADLN CC(C)C[C@@H](C(=O)[O-])[N@H+](C)Cc1csc(-c2cccs2)n1 ZINC000575131200 974795825 /nfs/dbraw/zinc/79/58/25/974795825.db2.gz YCNVMWWSSCUEAT-LBPRGKRZSA-N 0 2 324.471 3.803 20 0 DHADLN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1csc(-c2cccs2)n1 ZINC000575131200 974795830 /nfs/dbraw/zinc/79/58/30/974795830.db2.gz YCNVMWWSSCUEAT-LBPRGKRZSA-N 0 2 324.471 3.803 20 0 DHADLN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1nc2ccccc2o1 ZINC000581737593 974915012 /nfs/dbraw/zinc/91/50/12/974915012.db2.gz LXXMDSMUTAPDIK-MRXNPFEDSA-N 0 2 324.380 3.866 20 0 DHADLN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1nc2ccccc2o1 ZINC000581737593 974915016 /nfs/dbraw/zinc/91/50/16/974915016.db2.gz LXXMDSMUTAPDIK-MRXNPFEDSA-N 0 2 324.380 3.866 20 0 DHADLN C[C@H](Nc1ccc(C(=O)[O-])c[nH+]1)c1cccc(N2CCCC2)c1 ZINC000647451175 975363216 /nfs/dbraw/zinc/36/32/16/975363216.db2.gz OLPOPFMDYBPGAO-ZDUSSCGKSA-N 0 2 311.385 3.553 20 0 DHADLN C[C@@H](Nc1ccc(C(=O)[O-])c[nH+]1)c1cccc(N2CCCC2)c1 ZINC000647451174 975363269 /nfs/dbraw/zinc/36/32/69/975363269.db2.gz OLPOPFMDYBPGAO-CYBMUJFWSA-N 0 2 311.385 3.553 20 0 DHADLN CC1(C)CCCc2sc(NS(=O)(=O)c3ccccc3)nc21 ZINC000580636416 1014261990 /nfs/dbraw/zinc/26/19/90/1014261990.db2.gz VHSSTNLGKUMLLU-UHFFFAOYSA-N 0 2 322.455 3.558 20 0 DHADLN CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)c2nc(C(=O)[O-])co2)c1 ZINC001591791819 975989921 /nfs/dbraw/zinc/98/99/21/975989921.db2.gz PHNHSWSJXPNIRC-NWDGAFQWSA-N 0 2 318.373 3.572 20 0 DHADLN CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)c2nc(C(=O)[O-])co2)c1 ZINC001591791820 975990248 /nfs/dbraw/zinc/99/02/48/975990248.db2.gz PHNHSWSJXPNIRC-RYUDHWBXSA-N 0 2 318.373 3.572 20 0 DHADLN Cc1cccc(C2=CCN(C(=O)C(F)C(F)(F)F)CC2)c1C ZINC000891344583 1014464857 /nfs/dbraw/zinc/46/48/57/1014464857.db2.gz ZQSOXAWGIBMDSH-AWEZNQCLSA-N 0 2 315.310 3.820 20 0 DHADLN Cc1cccc(C2=CCN(C(=O)[C@H](F)C(F)(F)F)CC2)c1C ZINC000891344583 1014464866 /nfs/dbraw/zinc/46/48/66/1014464866.db2.gz ZQSOXAWGIBMDSH-AWEZNQCLSA-N 0 2 315.310 3.820 20 0 DHADLN Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C(=O)[O-])c(Cl)c2)no1 ZINC000846236130 979417149 /nfs/dbraw/zinc/41/71/49/979417149.db2.gz OCMNVNKRHHDOLM-OAHLLOKOSA-N 0 2 320.776 3.672 20 0 DHADLN Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(C(=O)[O-])c(Cl)c2)no1 ZINC000846236130 979417153 /nfs/dbraw/zinc/41/71/53/979417153.db2.gz OCMNVNKRHHDOLM-OAHLLOKOSA-N 0 2 320.776 3.672 20 0 DHADLN Cc1cc([C@@H]2CCC[N@@H+]2Cc2c(Cl)cccc2C(=O)[O-])no1 ZINC000846236349 979417380 /nfs/dbraw/zinc/41/73/80/979417380.db2.gz RFJCBTKTCQSSJC-HNNXBMFYSA-N 0 2 320.776 3.672 20 0 DHADLN Cc1cc([C@@H]2CCC[N@H+]2Cc2c(Cl)cccc2C(=O)[O-])no1 ZINC000846236349 979417384 /nfs/dbraw/zinc/41/73/84/979417384.db2.gz RFJCBTKTCQSSJC-HNNXBMFYSA-N 0 2 320.776 3.672 20 0 DHADLN CC[N@H+](CC(=O)[O-])Cc1c(Cl)cccc1SC(C)C ZINC000901425305 980270709 /nfs/dbraw/zinc/27/07/09/980270709.db2.gz XHWXUHCTDJEZAL-UHFFFAOYSA-N 0 2 301.839 3.747 20 0 DHADLN CC[N@@H+](CC(=O)[O-])Cc1c(Cl)cccc1SC(C)C ZINC000901425305 980270719 /nfs/dbraw/zinc/27/07/19/980270719.db2.gz XHWXUHCTDJEZAL-UHFFFAOYSA-N 0 2 301.839 3.747 20 0 DHADLN CC[C@H]([NH2+][C@H](C)c1cc(C)c(C(=O)[O-])o1)c1nc(C)cs1 ZINC001595278738 980313714 /nfs/dbraw/zinc/31/37/14/980313714.db2.gz IFZWJHQGEBJLFV-MNOVXSKESA-N 0 2 308.403 3.853 20 0 DHADLN CC(C)Oc1ccc(C(=O)[O-])cc1NCc1c[nH+]cn1C(C)C ZINC000901606872 980402813 /nfs/dbraw/zinc/40/28/13/980402813.db2.gz HGCNOWLNGXKQSX-UHFFFAOYSA-N 0 2 317.389 3.562 20 0 DHADLN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1cncn1C(C)C ZINC001595362943 980777094 /nfs/dbraw/zinc/77/70/94/980777094.db2.gz UGJKXGCUOOTNEZ-QGZVFWFLSA-N 0 2 315.417 3.502 20 0 DHADLN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cncn1C(C)C ZINC001595362943 980777096 /nfs/dbraw/zinc/77/70/96/980777096.db2.gz UGJKXGCUOOTNEZ-QGZVFWFLSA-N 0 2 315.417 3.502 20 0 DHADLN CCC[C@@H](C)[N@@H+]1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC001595580422 981517006 /nfs/dbraw/zinc/51/70/06/981517006.db2.gz GOFICCAVBDLBBL-SSDOTTSWSA-N 0 2 318.236 3.713 20 0 DHADLN CCC[C@@H](C)[N@H+]1Cc2sc(C(=O)[O-])c(Br)c2C1 ZINC001595580422 981517008 /nfs/dbraw/zinc/51/70/08/981517008.db2.gz GOFICCAVBDLBBL-SSDOTTSWSA-N 0 2 318.236 3.713 20 0 DHADLN Cc1cc(F)c(S(=O)(=O)Nc2ccc3ccoc3c2)cc1F ZINC000442836561 1014747563 /nfs/dbraw/zinc/74/75/63/1014747563.db2.gz OANOHDODNAHHPF-UHFFFAOYSA-N 0 2 323.320 3.820 20 0 DHADLN C[C@H](CC(=O)N=c1nc(-c2ccccc2)[nH]s1)c1ccccc1 ZINC000614688498 1014884720 /nfs/dbraw/zinc/88/47/20/1014884720.db2.gz MOFHCSYOGDQTHA-CYBMUJFWSA-N 0 2 323.421 3.759 20 0 DHADLN FC(F)(F)[C@@H]1CCC[C@@H]([NH2+][C@H](c2nnc[nH]2)c2ccccc2)C1 ZINC000276261678 1014907419 /nfs/dbraw/zinc/90/74/19/1014907419.db2.gz PZOIWEKZINOLOE-MCIONIFRSA-N 0 2 324.350 3.605 20 0 DHADLN CSc1ccccc1CN(C)C(=O)c1c(O)cc(F)cc1F ZINC000684335298 1015050750 /nfs/dbraw/zinc/05/07/50/1015050750.db2.gz HIHHICRVOWPNNP-UHFFFAOYSA-N 0 2 323.364 3.665 20 0 DHADLN CC(C)Cc1cc(NS(=O)(=O)c2cccc(C(C)C)c2)[nH]n1 ZINC000474425181 1015350252 /nfs/dbraw/zinc/35/02/52/1015350252.db2.gz FSWMNSYHCBYBQX-UHFFFAOYSA-N 0 2 321.446 3.532 20 0 DHADLN CCc1ccc(C[NH2+][C@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)nc1 ZINC001597530048 988179238 /nfs/dbraw/zinc/17/92/38/988179238.db2.gz BQFSHLLUQFSBOG-JLTOFOAXSA-N 0 2 324.424 3.611 20 0 DHADLN CC(C)[C@H]([NH2+][C@@H](C(=O)[O-])c1ccsc1)c1ccccc1F ZINC001591024051 991311360 /nfs/dbraw/zinc/31/13/60/991311360.db2.gz HKBZIZZFFLGCCI-LSDHHAIUSA-N 0 2 307.390 4.000 20 0 DHADLN CC(C)c1ccc(C2(C(=O)NOCC(F)F)CCCC2)cc1 ZINC000759343050 1015698498 /nfs/dbraw/zinc/69/84/98/1015698498.db2.gz NSIUDMDEXCPEEV-UHFFFAOYSA-N 0 2 311.372 3.935 20 0 DHADLN O=C(c1c(O)cc(F)cc1F)N1CCC[C@@H]1c1ccccc1 ZINC000127392680 1015704080 /nfs/dbraw/zinc/70/40/80/1015704080.db2.gz MWEUIZKSOYFPAK-CQSZACIVSA-N 0 2 303.308 3.648 20 0 DHADLN CC(C)C[N@H+](Cc1ccccn1)[C@@H](C(=O)[O-])c1ccccc1F ZINC001591344291 992330812 /nfs/dbraw/zinc/33/08/12/992330812.db2.gz UZZHJPKJNFWLQJ-QGZVFWFLSA-N 0 2 316.376 3.505 20 0 DHADLN CC(C)C[N@@H+](Cc1ccccn1)[C@@H](C(=O)[O-])c1ccccc1F ZINC001591344291 992330824 /nfs/dbraw/zinc/33/08/24/992330824.db2.gz UZZHJPKJNFWLQJ-QGZVFWFLSA-N 0 2 316.376 3.505 20 0 DHADLN C[C@H]([NH2+][C@@H](c1ccccc1)c1ccccn1)c1cc(C(=O)[O-])co1 ZINC001593210848 994255747 /nfs/dbraw/zinc/25/57/47/994255747.db2.gz SHFDLKCLVJMIHT-UGSOOPFHSA-N 0 2 322.364 3.813 20 0 DHADLN C[C@H](c1nc(C(=O)[O-])co1)[N@H+](C)Cc1csc2ccccc12 ZINC001593725911 996285107 /nfs/dbraw/zinc/28/51/07/996285107.db2.gz WDLYLXPXRVFFRH-SNVBAGLBSA-N 0 2 316.382 3.781 20 0 DHADLN C[C@H](c1nc(C(=O)[O-])co1)[N@@H+](C)Cc1csc2ccccc12 ZINC001593725911 996285115 /nfs/dbraw/zinc/28/51/15/996285115.db2.gz WDLYLXPXRVFFRH-SNVBAGLBSA-N 0 2 316.382 3.781 20 0 DHADLN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C(F)C(F)(F)F ZINC000277457558 1016339332 /nfs/dbraw/zinc/33/93/32/1016339332.db2.gz ORBCDZLVDRGCRO-XVKPBYJWSA-N 0 2 320.311 3.716 20 0 DHADLN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)[C@H](F)C(F)(F)F ZINC000277457558 1016339343 /nfs/dbraw/zinc/33/93/43/1016339343.db2.gz ORBCDZLVDRGCRO-XVKPBYJWSA-N 0 2 320.311 3.716 20 0 DHADLN Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2O)c(C)n1 ZINC000622425510 1016404242 /nfs/dbraw/zinc/40/42/42/1016404242.db2.gz FNAFKNYVALCTQJ-UHFFFAOYSA-N 0 2 310.275 3.675 20 0 DHADLN O=C(Nc1ccn2ccnc2c1)c1c(O)cc(Cl)cc1Cl ZINC000684820716 1016583748 /nfs/dbraw/zinc/58/37/48/1016583748.db2.gz FZHZURABXVFDAZ-UHFFFAOYSA-N 0 2 322.151 3.599 20 0 DHADLN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000213404835 1032255957 /nfs/dbraw/zinc/25/59/57/1032255957.db2.gz ZZPVUGZAYCBQHF-BSFVXNEUSA-N 0 2 318.200 3.697 20 0 DHADLN O=C(Nc1ccsc1)c1cc(Br)cc(F)c1O ZINC001147763708 1032337168 /nfs/dbraw/zinc/33/71/68/1032337168.db2.gz GOGQGZBRLVNBSG-UHFFFAOYSA-N 0 2 316.151 3.608 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000277760934 1017081036 /nfs/dbraw/zinc/08/10/36/1017081036.db2.gz SFNPDTIHPPOXJB-ZYHUDNBSSA-N 0 2 323.717 3.774 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000277760934 1017081049 /nfs/dbraw/zinc/08/10/49/1017081049.db2.gz SFNPDTIHPPOXJB-ZYHUDNBSSA-N 0 2 323.717 3.774 20 0 DHADLN CC[C@H](/N=C/c1cc([N+](=O)[O-])ccc1O)c1nc2ccccc2[nH]1 ZINC000066255619 1012438164 /nfs/dbraw/zinc/43/81/64/1012438164.db2.gz JAZNDKNBPAXEOG-SGPNVBEDSA-N 0 2 324.340 3.747 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@H]1Cc1ccccc1Cl ZINC000277760922 1017079034 /nfs/dbraw/zinc/07/90/34/1017079034.db2.gz SFNPDTIHPPOXJB-JQWIXIFHSA-N 0 2 323.717 3.774 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CCC[C@H]1Cc1ccccc1Cl ZINC000277760922 1017079045 /nfs/dbraw/zinc/07/90/45/1017079045.db2.gz SFNPDTIHPPOXJB-JQWIXIFHSA-N 0 2 323.717 3.774 20 0 DHADLN C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC000381077741 1018227583 /nfs/dbraw/zinc/22/75/83/1018227583.db2.gz ACCXUFRUMNPFCA-VIFPVBQESA-N 0 2 310.806 3.688 20 0 DHADLN C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC000381077741 1018227588 /nfs/dbraw/zinc/22/75/88/1018227588.db2.gz ACCXUFRUMNPFCA-VIFPVBQESA-N 0 2 310.806 3.688 20 0 DHADLN O=C(C(F)C(F)(F)F)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000764472432 1018288968 /nfs/dbraw/zinc/28/89/68/1018288968.db2.gz LBUAYEVBPGKBOH-UONOGXRCSA-N 0 2 315.310 3.955 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N(C1CC1)[C@H]1CCCc2ccccc21 ZINC000764472432 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O=C([O-])c1csc(C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)n1 ZINC000564801725 974553572 /nfs/dbraw/zinc/55/35/72/974553572.db2.gz GSBWFPIJDOFPMV-CYBMUJFWSA-N 0 2 322.817 3.832 20 0 DHADLN O=C([O-])c1csc(C[N@H+]2CCC[C@@H]2c2ccccc2Cl)n1 ZINC000564801725 974553577 /nfs/dbraw/zinc/55/35/77/974553577.db2.gz GSBWFPIJDOFPMV-CYBMUJFWSA-N 0 2 322.817 3.832 20 0 DHADLN CC(C)C[C@@H](C(=O)[O-])[N@H+](C)Cc1csc(-c2ccsc2)n1 ZINC000574697325 974786887 /nfs/dbraw/zinc/78/68/87/974786887.db2.gz OYJATKISRWEBDJ-ZDUSSCGKSA-N 0 2 324.471 3.803 20 0 DHADLN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1csc(-c2ccsc2)n1 ZINC000574697325 974786890 /nfs/dbraw/zinc/78/68/90/974786890.db2.gz OYJATKISRWEBDJ-ZDUSSCGKSA-N 0 2 324.471 3.803 20 0 DHADLN CC(C)c1cc(N[C@@H]2CCC[C@H]2CC(=O)[O-])nc(C(C)C)[nH+]1 ZINC001591936312 976458175 /nfs/dbraw/zinc/45/81/75/976458175.db2.gz TVUSUJXHXCGWMA-QWHCGFSZSA-N 0 2 305.422 3.779 20 0 DHADLN CCOc1cccc([C@H](C)NC(=O)c2c(O)cc(F)cc2F)c1 ZINC000063341187 1014500233 /nfs/dbraw/zinc/50/02/33/1014500233.db2.gz GHOKPADYZOSTCL-JTQLQIEISA-N 0 2 321.323 3.560 20 0 DHADLN CC[C@H]([NH2+][C@@H](C)c1nc(C(=O)[O-])co1)c1ccc(C)c(F)c1 ZINC001595281381 980333220 /nfs/dbraw/zinc/33/32/20/980333220.db2.gz NHQWLSIZCPLVTE-GWCFXTLKSA-N 0 2 306.337 3.622 20 0 DHADLN C[C@H]([NH2+]c1ccc(N2CCCCC2)c(C(=O)[O-])c1)[C@H]1CC1(F)F ZINC000901774377 980504447 /nfs/dbraw/zinc/50/44/47/980504447.db2.gz HZMSEVKCJJTEOO-SMDDNHRTSA-N 0 2 324.371 3.831 20 0 DHADLN CC[C@H](C)[C@@H](C(=O)[O-])[N@@H+]1CCn2c(cc3c2cccc3Cl)C1 ZINC001594873572 982194807 /nfs/dbraw/zinc/19/48/07/982194807.db2.gz NUCAACNBVSVETE-ZBEGNZNMSA-N 0 2 320.820 3.610 20 0 DHADLN CC[C@H](C)[C@@H](C(=O)[O-])[N@H+]1CCn2c(cc3c2cccc3Cl)C1 ZINC001594873572 982194815 /nfs/dbraw/zinc/19/48/15/982194815.db2.gz NUCAACNBVSVETE-ZBEGNZNMSA-N 0 2 320.820 3.610 20 0 DHADLN C[C@@H]1Oc2ccccc2[C@H]1[NH2+][C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001594655160 986888748 /nfs/dbraw/zinc/88/87/48/986888748.db2.gz NAPAPSIOWGWPAO-HNHYXYPQSA-N 0 2 317.772 3.578 20 0 DHADLN O=C(CSc1nccc2ccccc21)NOCc1ccccc1 ZINC000178276413 1015549052 /nfs/dbraw/zinc/54/90/52/1015549052.db2.gz NZIKKHZHKQOWNM-UHFFFAOYSA-N 0 2 324.405 3.575 20 0 DHADLN Cc1ccc(O[C@H](C)CNC(=O)c2cccc(Cl)c2O)cc1 ZINC001126563976 1015602007 /nfs/dbraw/zinc/60/20/07/1015602007.db2.gz CECBCVDAYUHKSQ-GFCCVEGCSA-N 0 2 319.788 3.551 20 0 DHADLN CC(C)[C@H]([NH2+][C@H](C(=O)[O-])c1ccsc1)c1ccccc1F ZINC001591024049 991311138 /nfs/dbraw/zinc/31/11/38/991311138.db2.gz HKBZIZZFFLGCCI-GJZGRUSLSA-N 0 2 307.390 4.000 20 0 DHADLN C[C@H]([NH2+][C@@H](C(=O)[O-])C1CC1)c1ncc(-c2ccc(Cl)cc2)o1 ZINC001593190051 994117910 /nfs/dbraw/zinc/11/79/10/994117910.db2.gz KTVHMKWSWHUWNZ-LKFCYVNXSA-N 0 2 320.776 3.509 20 0 DHADLN C[C@@H]([NH2+]Cc1oncc1C(=O)[O-])c1cccc(Cl)c1Cl ZINC001593318880 994841016 /nfs/dbraw/zinc/84/10/16/994841016.db2.gz MECHFPOYHWKGFZ-SSDOTTSWSA-N 0 2 315.156 3.530 20 0 DHADLN C[C@@H](c1cccc(Cl)c1)[N@H+](C)Cc1ncc(C(=O)[O-])s1 ZINC001593699239 996169397 /nfs/dbraw/zinc/16/93/97/996169397.db2.gz RCWAFGQPGAMBLS-VIFPVBQESA-N 0 2 310.806 3.688 20 0 DHADLN C[C@@H](c1cccc(Cl)c1)[N@@H+](C)Cc1ncc(C(=O)[O-])s1 ZINC001593699239 996169400 /nfs/dbraw/zinc/16/94/00/996169400.db2.gz RCWAFGQPGAMBLS-VIFPVBQESA-N 0 2 310.806 3.688 20 0 DHADLN C[C@H](c1cccs1)[N@H+](C)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001593723067 996254421 /nfs/dbraw/zinc/25/44/21/996254421.db2.gz HAYRMUKMPKSEQC-SNVBAGLBSA-N 0 2 315.398 3.516 20 0 DHADLN C[C@H](c1cccs1)[N@@H+](C)Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001593723067 996254428 /nfs/dbraw/zinc/25/44/28/996254428.db2.gz HAYRMUKMPKSEQC-SNVBAGLBSA-N 0 2 315.398 3.516 20 0 DHADLN CC1(C)C[N@H+](Cc2cc(C(=O)[O-])ccc2F)[C@@H]1c1ccncc1 ZINC001593942871 996972883 /nfs/dbraw/zinc/97/28/83/996972883.db2.gz SAAGKSBHROFJEW-MRXNPFEDSA-N 0 2 314.360 3.502 20 0 DHADLN CC1(C)C[N@@H+](Cc2cc(C(=O)[O-])ccc2F)[C@@H]1c1ccncc1 ZINC001593942871 996972894 /nfs/dbraw/zinc/97/28/94/996972894.db2.gz SAAGKSBHROFJEW-MRXNPFEDSA-N 0 2 314.360 3.502 20 0 DHADLN COc1cc(C)[nH+]c(CSCc2csc(C(=O)[O-])c2)c1 ZINC001599394645 997102191 /nfs/dbraw/zinc/10/21/91/997102191.db2.gz RVTOTWGVIRFALB-UHFFFAOYSA-N 0 2 309.412 3.592 20 0 DHADLN COc1ccc(C2CC2)cc1CNc1ccc(C)c(C(=O)[O-])[nH+]1 ZINC001599539143 997801758 /nfs/dbraw/zinc/80/17/58/997801758.db2.gz QBLWMBPSFAXWJP-UHFFFAOYSA-N 0 2 312.369 3.586 20 0 DHADLN O=C(NC1CCC(c2ccccc2)CC1)C(F)C(F)(F)F ZINC000277300682 1016171895 /nfs/dbraw/zinc/17/18/95/1016171895.db2.gz DKPUMVYEJKUQIA-BPCQOVAHSA-N 0 2 303.299 3.729 20 0 DHADLN O=C(NC1CCC(c2ccccc2)CC1)[C@H](F)C(F)(F)F ZINC000277300682 1016171903 /nfs/dbraw/zinc/17/19/03/1016171903.db2.gz DKPUMVYEJKUQIA-BPCQOVAHSA-N 0 2 303.299 3.729 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@H]1c1ccccc1Cl ZINC000277387412 1016268724 /nfs/dbraw/zinc/26/87/24/1016268724.db2.gz KCJPUBKELPFGAG-WDEREUQCSA-N 0 2 309.690 3.904 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCC[C@H]1c1ccccc1Cl ZINC000277387412 1016268734 /nfs/dbraw/zinc/26/87/34/1016268734.db2.gz KCJPUBKELPFGAG-WDEREUQCSA-N 0 2 309.690 3.904 20 0 DHADLN CCc1cnc(NC(=O)c2cccc(C(F)(F)F)c2O)s1 ZINC000622399001 1016390464 /nfs/dbraw/zinc/39/04/64/1016390464.db2.gz SNERWWDZJIBYHQ-UHFFFAOYSA-N 0 2 316.304 3.682 20 0 DHADLN O=c1nc(CN2CCCCc3sccc32)[nH]c2ccsc21 ZINC000684772031 1016424932 /nfs/dbraw/zinc/42/49/32/1016424932.db2.gz MBVSAYVNNMXVKX-UHFFFAOYSA-N 0 2 317.439 3.801 20 0 DHADLN CN(Cc1csc2ccccc12)C(=O)C(F)C(F)(F)F ZINC000277533668 1016553565 /nfs/dbraw/zinc/55/35/65/1016553565.db2.gz UWZQLDWIEJCVHN-LLVKDONJSA-N 0 2 305.296 3.760 20 0 DHADLN CN(Cc1csc2ccccc12)C(=O)[C@@H](F)C(F)(F)F ZINC000277533668 1016553579 /nfs/dbraw/zinc/55/35/79/1016553579.db2.gz UWZQLDWIEJCVHN-LLVKDONJSA-N 0 2 305.296 3.760 20 0 DHADLN Cc1cc(NC(=O)c2ccc3[nH]nnc3c2)cc(C(F)(F)F)c1 ZINC000683120912 1012037465 /nfs/dbraw/zinc/03/74/65/1012037465.db2.gz RJZNICNWRFVQGB-UHFFFAOYSA-N 0 2 320.274 3.537 20 0 DHADLN CSc1cccc(NS(=O)(=O)c2cccc(C(C)C)c2)n1 ZINC000515327413 1012601274 /nfs/dbraw/zinc/60/12/74/1012601274.db2.gz QMYPKUOCIHLHSY-UHFFFAOYSA-N 0 2 322.455 3.728 20 0 DHADLN CC(C)C[C@@H](C)CC(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000517607277 1013020665 /nfs/dbraw/zinc/02/06/65/1013020665.db2.gz LLIBAINJELIXEO-LLVKDONJSA-N 0 2 304.369 3.622 20 0 DHADLN Cc1cc2cc[nH]c2cc1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000444450116 1017532969 /nfs/dbraw/zinc/53/29/69/1017532969.db2.gz QVZBWLSGYYELEM-UHFFFAOYSA-N 0 2 302.280 3.712 20 0 DHADLN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)C(F)C(F)(F)F ZINC000763995077 1017617670 /nfs/dbraw/zinc/61/76/70/1017617670.db2.gz KPIMKRUNYZGWDQ-GHMZBOCLSA-N 0 2 309.690 3.808 20 0 DHADLN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)[C@@H](F)C(F)(F)F ZINC000763995077 1017617674 /nfs/dbraw/zinc/61/76/74/1017617674.db2.gz KPIMKRUNYZGWDQ-GHMZBOCLSA-N 0 2 309.690 3.808 20 0 DHADLN Cc1nc(NS(=O)(=O)c2cccc(C)c2Cl)sc1C ZINC000181131769 1017727582 /nfs/dbraw/zinc/72/75/82/1017727582.db2.gz WOAQKWDVGRKYHS-UHFFFAOYSA-N 0 2 316.835 3.523 20 0 DHADLN Cc1csc(C(C#N)C(=O)[C@@H](C)c2cn(C)c3ccccc23)n1 ZINC000186985670 1017753642 /nfs/dbraw/zinc/75/36/42/1017753642.db2.gz BCWUCKOANBMOHY-GXTWGEPZSA-N 0 2 323.421 3.923 20 0 DHADLN Cc1csc([C@H](C#N)C(=O)[C@@H](C)c2cn(C)c3ccccc23)n1 ZINC000186985670 1017753663 /nfs/dbraw/zinc/75/36/63/1017753663.db2.gz BCWUCKOANBMOHY-GXTWGEPZSA-N 0 2 323.421 3.923 20 0 DHADLN O=S(=O)(Nc1nccc2sccc21)c1ccc(Cl)cc1 ZINC000182022249 1017849840 /nfs/dbraw/zinc/84/98/40/1017849840.db2.gz XNLZCDKLEYXYEH-UHFFFAOYSA-N 0 2 324.814 3.751 20 0 DHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1cccnc1Cl ZINC000701132308 1017999706 /nfs/dbraw/zinc/99/97/06/1017999706.db2.gz SSXQYXSXSRSGIU-UHFFFAOYSA-N 0 2 317.559 4.000 20 0 DHADLN C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000184194498 1018064713 /nfs/dbraw/zinc/06/47/13/1018064713.db2.gz OFSIZVBYKIHNEP-JQWIXIFHSA-N 0 2 323.380 3.644 20 0 DHADLN C[C@H](c1cc2ccccc2o1)N(C)C(=O)C(F)C(F)(F)F ZINC000764129968 1018170064 /nfs/dbraw/zinc/17/00/64/1018170064.db2.gz SNXJUZCNGMYHNL-PRHODGIISA-N 0 2 303.255 3.853 20 0 DHADLN C[C@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC000764129968 1018170069 /nfs/dbraw/zinc/17/00/69/1018170069.db2.gz SNXJUZCNGMYHNL-PRHODGIISA-N 0 2 303.255 3.853 20 0 DHADLN CC1(NC(=O)N=c2nc(-c3ccsc3)[nH]s2)CCCCC1 ZINC000448000401 1018514737 /nfs/dbraw/zinc/51/47/37/1018514737.db2.gz NKMKLOAIIYBHKW-UHFFFAOYSA-N 0 2 322.459 3.533 20 0 DHADLN CC(C)Oc1cccc([C@H](C)NC(=O)C(F)C(F)(F)F)c1 ZINC000278618797 1018936607 /nfs/dbraw/zinc/93/66/07/1018936607.db2.gz MLEXMUVGPGIBAW-CABZTGNLSA-N 0 2 307.287 3.551 20 0 DHADLN CC(C)Oc1cccc([C@H](C)NC(=O)[C@H](F)C(F)(F)F)c1 ZINC000278618797 1018936615 /nfs/dbraw/zinc/93/66/15/1018936615.db2.gz MLEXMUVGPGIBAW-CABZTGNLSA-N 0 2 307.287 3.551 20 0 DHADLN C[C@H]1CN(C(=O)c2c(O)cc(F)cc2F)[C@@H]1c1ccccc1 ZINC000075286912 1019010367 /nfs/dbraw/zinc/01/03/67/1019010367.db2.gz UCDOMZAVVMAFQZ-QFYYESIMSA-N 0 2 303.308 3.504 20 0 DHADLN CCOc1ccc([C@@H](C)NC(=O)c2c(O)cc(F)cc2F)cc1 ZINC000066042954 1019477930 /nfs/dbraw/zinc/47/79/30/1019477930.db2.gz MMIGJZMBTPTOHH-SNVBAGLBSA-N 0 2 321.323 3.560 20 0 DHADLN Cc1ccc(F)c(S(=O)(=O)Nc2cc(F)cc(Cl)c2)c1 ZINC000477409990 1032837154 /nfs/dbraw/zinc/83/71/54/1032837154.db2.gz AWRMAQOPKRSQQK-UHFFFAOYSA-N 0 2 317.744 3.727 20 0 DHADLN Cc1ccc(NC(=O)c2c(O)cc(Cl)cc2Cl)cc1O ZINC000092603059 1019539639 /nfs/dbraw/zinc/53/96/39/1019539639.db2.gz JBEKBGBKYXVYQU-UHFFFAOYSA-N 0 2 312.152 3.965 20 0 DHADLN O=S(=O)(Nc1ccc2ccccc2c1)c1cccc(F)c1F ZINC000751262008 1019547063 /nfs/dbraw/zinc/54/70/63/1019547063.db2.gz ZFYUITJMMKZZND-UHFFFAOYSA-N 0 2 319.332 3.919 20 0 DHADLN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000213404887 1019719785 /nfs/dbraw/zinc/71/97/85/1019719785.db2.gz ZZPVUGZAYCBQHF-OUDXYJABSA-N 0 2 318.200 3.697 20 0 DHADLN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c(O)cc(F)cc1F ZINC000115721465 1019764876 /nfs/dbraw/zinc/76/48/76/1019764876.db2.gz NOYVENVNFOTRMA-DGCLKSJQSA-N 0 2 317.335 3.689 20 0 DHADLN O=C([O-])CCC/C(=C/c1[nH]cc[nH+]1)c1nc2ccccc2s1 ZINC000731156995 1020074441 /nfs/dbraw/zinc/07/44/41/1020074441.db2.gz 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309.460 3.762 20 0 DHADLN Cc1cc(C)cc(CS(=O)(=O)Nc2cc(C(C)(C)C)on2)c1 ZINC000410342011 332113232 /nfs/dbraw/zinc/11/32/32/332113232.db2.gz XUUAJLFDJXDHRU-UHFFFAOYSA-N 0 2 322.430 3.531 20 0 DHADLN O=C([O-])[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)c1cccs1 ZINC000426787113 332153197 /nfs/dbraw/zinc/15/31/97/332153197.db2.gz AXYRWSYBCINVGV-LBPRGKRZSA-N 0 2 316.209 3.970 20 0 DHADLN CCc1ccc([C@H]([NH2+]Cc2ccsc2Cl)C(=O)[O-])cc1 ZINC000426820520 332157588 /nfs/dbraw/zinc/15/75/88/332157588.db2.gz ZNOWDAIFYKAIRB-ZDUSSCGKSA-N 0 2 309.818 3.879 20 0 DHADLN CC(C)(C)Oc1ccccc1NS(=O)(=O)c1cccs1 ZINC000115314030 332241656 /nfs/dbraw/zinc/24/16/56/332241656.db2.gz SOCAEBPGRNQIKR-UHFFFAOYSA-N 0 2 311.428 3.726 20 0 DHADLN Fc1ccc([C@@H]([NH2+]C2CC(c3ccccc3)C2)c2cn[nH]n2)cc1 ZINC000559919782 332292758 /nfs/dbraw/zinc/29/27/58/332292758.db2.gz RKLXRKVFIMCRSY-GXOAENINSA-N 0 2 322.387 3.569 20 0 DHADLN Cc1ccncc1NS(=O)(=O)c1cc(C(C)C)ccc1Cl ZINC000559962410 332297209 /nfs/dbraw/zinc/29/72/09/332297209.db2.gz SXGPCFYHQZYQEE-UHFFFAOYSA-N 0 2 324.833 3.968 20 0 DHADLN C[C@H]1CC(C(=O)Nc2cc(Cl)cc(Cl)c2O)C[C@H](C)O1 ZINC000408219935 332320389 /nfs/dbraw/zinc/32/03/89/332320389.db2.gz RNIVMTJQSOYSMA-YUMQZZPRSA-N 0 2 318.200 3.841 20 0 DHADLN CC(C)(C)c1cnc(SCc2nc(=O)c3sccc3[nH]2)o1 ZINC000129943215 332526113 /nfs/dbraw/zinc/52/61/13/332526113.db2.gz AZCXCTLWLAVMJF-UHFFFAOYSA-N 0 2 321.427 3.562 20 0 DHADLN O=C(Nc1ccccc1OCC1CC1)c1cc(F)c(O)c(F)c1 ZINC000180057555 333026816 /nfs/dbraw/zinc/02/68/16/333026816.db2.gz RKCCOZRYQVBLPT-UHFFFAOYSA-N 0 2 319.307 3.712 20 0 DHADLN CC1CCC(N(C(=O)c2cc(F)c(O)c(F)c2)C2CC2)CC1 ZINC000183502471 333058501 /nfs/dbraw/zinc/05/85/01/333058501.db2.gz KPFOSAFNPQIWQW-UHFFFAOYSA-N 0 2 309.356 3.854 20 0 DHADLN CO[C@@H](C)c1cccc(NC(=O)c2cc(F)c(O)c(F)c2)c1 ZINC000183547597 333058951 /nfs/dbraw/zinc/05/89/51/333058951.db2.gz QHYACNVUOZLHKU-VIFPVBQESA-N 0 2 307.296 3.630 20 0 DHADLN Cc1cc(C)cc([C@H](C)NC(=O)c2cc(F)c(O)c(F)c2)c1 ZINC000183584322 333058997 /nfs/dbraw/zinc/05/89/97/333058997.db2.gz XYDBXDOVBDAMJE-NSHDSACASA-N 0 2 305.324 3.778 20 0 DHADLN Cc1cc(C)cc([C@@H](C)NC(=O)c2cc(F)c(O)c(F)c2)c1 ZINC000183584305 333059146 /nfs/dbraw/zinc/05/91/46/333059146.db2.gz XYDBXDOVBDAMJE-LLVKDONJSA-N 0 2 305.324 3.778 20 0 DHADLN CC(=O)c1cccc(NC(=O)c2cc(F)c(O)c(Cl)c2)c1 ZINC000184171726 333343131 /nfs/dbraw/zinc/34/31/31/333343131.db2.gz UOQBCTLZGCLKQW-UHFFFAOYSA-N 0 2 307.708 3.640 20 0 DHADLN COc1cc(F)ccc1NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000184241488 333351481 /nfs/dbraw/zinc/35/14/81/333351481.db2.gz YZWCYVGBSVTLLY-UHFFFAOYSA-N 0 2 313.687 3.585 20 0 DHADLN C[C@H](c1cccc(O)c1)N(C)C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000184498560 333360648 /nfs/dbraw/zinc/36/06/48/333360648.db2.gz XPEJVZOXGOKEFN-SECBINFHSA-N 0 2 323.751 3.724 20 0 DHADLN C[C@H]1CCN(C(=O)c2cc(F)c(O)c(F)c2)c2ccccc21 ZINC000186643450 333375815 /nfs/dbraw/zinc/37/58/15/333375815.db2.gz YZXRVQIFQWVSBK-JTQLQIEISA-N 0 2 303.308 3.824 20 0 DHADLN COCC(C)(C)CC(=O)Nc1cc(Cl)c(O)c(Cl)c1 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ZINC000345110847 335298846 /nfs/dbraw/zinc/29/88/46/335298846.db2.gz WZLUEYVRWVUHJX-UHFFFAOYSA-N 0 2 323.414 3.875 20 0 DHADLN CC(C)[NH+]1CCc2nc(C[N@@H+](C)[C@@H]3CCC[C@H](C)C3)sc2C1 ZINC000346142740 335381023 /nfs/dbraw/zinc/38/10/23/335381023.db2.gz CDPOSSCZTOMBNR-LSDHHAIUSA-N 0 2 321.534 3.920 20 0 DHADLN COc1ccc(F)cc1NC(=O)c1cc(F)cc(Cl)c1O ZINC000093547840 335653459 /nfs/dbraw/zinc/65/34/59/335653459.db2.gz OQKZVRSDZXGETM-UHFFFAOYSA-N 0 2 313.687 3.585 20 0 DHADLN O=S(=O)(Nc1cccnc1-c1ccccc1)c1ccsc1 ZINC000350826195 335807396 /nfs/dbraw/zinc/80/73/96/335807396.db2.gz BVYCSYABQHMMIU-UHFFFAOYSA-N 0 2 316.407 3.611 20 0 DHADLN CC(C)(CNc1nc(C(F)(F)F)ns1)c1ccccc1F ZINC000519664528 335888378 /nfs/dbraw/zinc/88/83/78/335888378.db2.gz ULDGVKUPJWKKSP-UHFFFAOYSA-N 0 2 319.327 3.508 20 0 DHADLN CC[C@@H](c1ccccc1)[S@@](=O)C=C(O)c1cc(C)n(C)c1C ZINC000532320071 336238029 /nfs/dbraw/zinc/23/80/29/336238029.db2.gz ZTCVERAGGLLJHP-AVRDEDQJSA-N 0 2 317.454 3.725 20 0 DHADLN CC(C)c1nc(N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000302897044 336373637 /nfs/dbraw/zinc/37/36/37/336373637.db2.gz PFWWPFQOKFWBEJ-LSDHHAIUSA-N 0 2 318.509 3.816 20 0 DHADLN CC(C)c1nc(N(C)C[C@@H]2CCC[N@H+](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000302905543 336374041 /nfs/dbraw/zinc/37/40/41/336374041.db2.gz SMNWFUKUDUGTNT-OAHLLOKOSA-N 0 2 318.509 3.676 20 0 DHADLN Cc1oc(C[N@H+](Cc2ccccc2F)C2CC2)cc1C(=O)[O-] ZINC000514607867 336386082 /nfs/dbraw/zinc/38/60/82/336386082.db2.gz DSXOIPBPQVKAGQ-UHFFFAOYSA-N 0 2 303.333 3.590 20 0 DHADLN Cc1oc(C[N@@H+](Cc2ccccc2F)C2CC2)cc1C(=O)[O-] ZINC000514607867 336386083 /nfs/dbraw/zinc/38/60/83/336386083.db2.gz DSXOIPBPQVKAGQ-UHFFFAOYSA-N 0 2 303.333 3.590 20 0 DHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1ccc2nccn2c1 ZINC000354391098 336469181 /nfs/dbraw/zinc/46/91/81/336469181.db2.gz BSDAEXREAXUZFJ-UHFFFAOYSA-N 0 2 322.151 3.599 20 0 DHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1conc1C1CC1 ZINC000355520836 336512772 /nfs/dbraw/zinc/51/27/72/336512772.db2.gz QTGNEIMRJMECEQ-UHFFFAOYSA-N 0 2 313.140 3.817 20 0 DHADLN CC(C)[NH+]1CCc2nc(C[N@H+]([C@H](C)C3CC3)C3CC3)sc2C1 ZINC000374951223 337000190 /nfs/dbraw/zinc/00/01/90/337000190.db2.gz VJPFQAFQJJQFBL-CYBMUJFWSA-N 0 2 319.518 3.673 20 0 DHADLN O=C(c1cc(F)cc(Cl)c1O)N1CC(F)(c2ccccc2)C1 ZINC000377099755 337046776 /nfs/dbraw/zinc/04/67/76/337046776.db2.gz NQUVHUZBBMVWMP-UHFFFAOYSA-N 0 2 323.726 3.506 20 0 DHADLN Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1nccn1-c1ccccc1 ZINC000377869580 337063030 /nfs/dbraw/zinc/06/30/30/337063030.db2.gz PRWBGIFSVDABAP-KRWDZBQOSA-N 0 2 320.440 3.859 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCC[C@@H]1/C=C/c1cccs1 ZINC000378142086 337067014 /nfs/dbraw/zinc/06/70/14/337067014.db2.gz XGLKLFRGTGNQKB-PFLKOTLJSA-N 0 2 307.312 3.653 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@@H]1/C=C/c1cccs1 ZINC000378142086 337067015 /nfs/dbraw/zinc/06/70/15/337067015.db2.gz XGLKLFRGTGNQKB-PFLKOTLJSA-N 0 2 307.312 3.653 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2cccc3ccc(O)cc32)c(C)o1 ZINC000180221499 337175470 /nfs/dbraw/zinc/17/54/70/337175470.db2.gz JRPQCCGDSBNZIB-UHFFFAOYSA-N 0 2 317.366 3.556 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCC[C@H]1c1cccc(F)c1 ZINC000183449673 337191729 /nfs/dbraw/zinc/19/17/29/337191729.db2.gz DJXPIJFKAGXGBQ-HNNXBMFYSA-N 0 2 321.298 3.787 20 0 DHADLN O=C(Nc1cccc2ncccc21)c1cc(F)c(F)c(O)c1F ZINC000183307742 337192873 /nfs/dbraw/zinc/19/28/73/337192873.db2.gz UFRZIOGOYQSOKY-UHFFFAOYSA-N 0 2 318.254 3.610 20 0 DHADLN COc1ccc(NS(=O)(=O)c2ccc(C)s2)cc1Cl ZINC000024070267 337257780 /nfs/dbraw/zinc/25/77/80/337257780.db2.gz GOISNKOBRSGXBO-UHFFFAOYSA-N 0 2 317.819 3.519 20 0 DHADLN O=C([O-])[C@@H]([NH2+]Cc1csc(-c2ccccc2)n1)c1ccccc1 ZINC000321294836 337255428 /nfs/dbraw/zinc/25/54/28/337255428.db2.gz HUSRAIVFSDXDGD-INIZCTEOSA-N 0 2 324.405 3.726 20 0 DHADLN Cc1cc2ccccc2[nH+]c1N1CCC(C(C)(C)C(=O)[O-])CC1 ZINC000572163884 337594579 /nfs/dbraw/zinc/59/45/79/337594579.db2.gz FJFQRWGRPHIGSO-UHFFFAOYSA-N 0 2 312.413 3.870 20 0 DHADLN O=C(c1cc(F)c(O)c(Cl)c1)N1CC[C@H](C2CCCC2)C1 ZINC000421941517 337661359 /nfs/dbraw/zinc/66/13/59/337661359.db2.gz BPWVRUGLNSWJOD-NSHDSACASA-N 0 2 311.784 3.837 20 0 DHADLN Cc1cccc(S(=O)(=O)Nc2nc(C3CCC3)cs2)c1 ZINC000516488299 338012588 /nfs/dbraw/zinc/01/25/88/338012588.db2.gz LOUTVOJPMJDLKO-UHFFFAOYSA-N 0 2 308.428 3.520 20 0 DHADLN c1ccc(Oc2ccc(CNc3nc(C4CC4)ns3)cn2)cc1 ZINC000426508983 338033728 /nfs/dbraw/zinc/03/37/28/338033728.db2.gz RDAXFOUWZHCZQF-UHFFFAOYSA-N 0 2 324.409 3.637 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1c[nH]c(C2CC2)n1 ZINC000429238225 338074156 /nfs/dbraw/zinc/07/41/56/338074156.db2.gz QLXIMIGBQSZYQO-UHFFFAOYSA-N 0 2 312.156 3.552 20 0 DHADLN CCOc1ccc(NS(=O)(=O)c2sc(C)cc2C)cc1 ZINC000431139941 338123808 /nfs/dbraw/zinc/12/38/08/338123808.db2.gz QKQZOOMIYQEADQ-UHFFFAOYSA-N 0 2 311.428 3.564 20 0 DHADLN Cc1cc(C)c(S(=O)(=O)Nc2ccc3[nH]ccc3c2)s1 ZINC000431155880 338124312 /nfs/dbraw/zinc/12/43/12/338124312.db2.gz ISBMCUCHJHOVGW-UHFFFAOYSA-N 0 2 306.412 3.647 20 0 DHADLN Cc1cc(C)c(S(=O)(=O)Nc2cc(F)cc(Cl)c2)s1 ZINC000431179198 338125117 /nfs/dbraw/zinc/12/51/17/338125117.db2.gz MIZWOQLGJZGUQU-UHFFFAOYSA-N 0 2 319.810 3.958 20 0 DHADLN O=S(=O)(Nc1cnccc1-c1ccccc1)c1cccs1 ZINC000432355934 338154014 /nfs/dbraw/zinc/15/40/14/338154014.db2.gz GVUCQNWYTIPCOD-UHFFFAOYSA-N 0 2 316.407 3.611 20 0 DHADLN CC(C)(C)OC1CC(CCN=c2nc(C(C)(C)C)[nH]s2)C1 ZINC000432870168 338171387 /nfs/dbraw/zinc/17/13/87/338171387.db2.gz AWMVIYSXGFBSCD-UHFFFAOYSA-N 0 2 311.495 3.653 20 0 DHADLN CCCN(CCC)C(=O)c1cc(Br)c(F)cc1O ZINC000448563757 338248174 /nfs/dbraw/zinc/24/81/74/338248174.db2.gz DOOFESHMHIZNMO-UHFFFAOYSA-N 0 2 318.186 3.556 20 0 DHADLN Cc1cccc(S(=O)(=O)Nc2cc3[nH]ccc3cc2C)c1F ZINC000436181123 338260933 /nfs/dbraw/zinc/26/09/33/338260933.db2.gz NLKRNSQILPQSKY-UHFFFAOYSA-N 0 2 318.373 3.725 20 0 DHADLN O=C(NC1(Cc2ccccc2)CCC1)c1cc(F)c(O)c(F)c1 ZINC000436521561 338274998 /nfs/dbraw/zinc/27/49/98/338274998.db2.gz FVDBRAKKNUXZEB-UHFFFAOYSA-N 0 2 317.335 3.566 20 0 DHADLN O=C(N[C@@H]1CCC[C@H]1c1ccccc1)c1cc(F)c(O)c(F)c1 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1025874457 /nfs/dbraw/zinc/87/44/57/1025874457.db2.gz GYILHOPLKHRFIH-UHFFFAOYSA-N 0 2 322.151 3.828 20 0 DHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1cccc2cn[nH]c21 ZINC000355888021 1025874478 /nfs/dbraw/zinc/87/44/78/1025874478.db2.gz GYILHOPLKHRFIH-UHFFFAOYSA-N 0 2 322.151 3.828 20 0 DHADLN CC(C)(CNC(=O)C(F)C(F)(F)F)c1cccc(Cl)c1 ZINC000764461704 1026084614 /nfs/dbraw/zinc/08/46/14/1026084614.db2.gz IHQWQYICAKTXLX-JTQLQIEISA-N 0 2 311.706 3.634 20 0 DHADLN CC(C)(CNC(=O)[C@H](F)C(F)(F)F)c1cccc(Cl)c1 ZINC000764461704 1026084632 /nfs/dbraw/zinc/08/46/32/1026084632.db2.gz IHQWQYICAKTXLX-JTQLQIEISA-N 0 2 311.706 3.634 20 0 DHADLN N#CC(C(=O)COc1ccc(F)cc1)c1ccc2ccccc2n1 ZINC000047376770 1026223613 /nfs/dbraw/zinc/22/36/13/1026223613.db2.gz CSCQHCTUWLSZJV-MRXNPFEDSA-N 0 2 320.323 3.629 20 0 DHADLN N#C[C@@H](C(=O)COc1ccc(F)cc1)c1ccc2ccccc2n1 ZINC000047376770 1026223624 /nfs/dbraw/zinc/22/36/24/1026223624.db2.gz CSCQHCTUWLSZJV-MRXNPFEDSA-N 0 2 320.323 3.629 20 0 DHADLN CCCCC[C@H](O)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000828122090 1026331643 /nfs/dbraw/zinc/33/16/43/1026331643.db2.gz GDHCOXRYBKYFQW-NSHDSACASA-N 0 2 306.189 3.579 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2nc3c(cccc3C)s2)s1 ZINC000120678908 1026460236 /nfs/dbraw/zinc/46/02/36/1026460236.db2.gz SLFWPRSFNAOBBB-UHFFFAOYSA-N 0 2 324.452 3.775 20 0 DHADLN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)C(F)C(F)(F)F ZINC000809957955 1026650716 /nfs/dbraw/zinc/65/07/16/1026650716.db2.gz FHCNKFKKUVQOBS-GFCCVEGCSA-N 0 2 305.315 3.843 20 0 DHADLN CN(Cc1ccc(C(C)(C)C)cc1)C(=O)[C@@H](F)C(F)(F)F ZINC000809957955 1026650718 /nfs/dbraw/zinc/65/07/18/1026650718.db2.gz FHCNKFKKUVQOBS-GFCCVEGCSA-N 0 2 305.315 3.843 20 0 DHADLN O=C(NCc1cccc(Cl)c1Cl)C(F)C(F)(F)F ZINC000810065417 1026676490 /nfs/dbraw/zinc/67/64/90/1026676490.db2.gz UCECPPYQFNLDOL-QMMMGPOBSA-N 0 2 304.070 3.510 20 0 DHADLN O=C(NCc1cccc(Cl)c1Cl)[C@H](F)C(F)(F)F ZINC000810065417 1026676500 /nfs/dbraw/zinc/67/65/00/1026676500.db2.gz UCECPPYQFNLDOL-QMMMGPOBSA-N 0 2 304.070 3.510 20 0 DHADLN CCc1ccc(CN(C(=O)C(F)C(F)(F)F)C2CC2)cc1 ZINC000810066804 1026677620 /nfs/dbraw/zinc/67/76/20/1026677620.db2.gz OYIACZBLRUBFJE-CYBMUJFWSA-N 0 2 303.299 3.640 20 0 DHADLN CCc1ccc(CN(C(=O)[C@@H](F)C(F)(F)F)C2CC2)cc1 ZINC000810066804 1026677627 /nfs/dbraw/zinc/67/76/27/1026677627.db2.gz OYIACZBLRUBFJE-CYBMUJFWSA-N 0 2 303.299 3.640 20 0 DHADLN CCCC[C@H](NC(=O)C(F)C(F)(F)F)c1ccc(OC)cc1 ZINC000810345557 1026750983 /nfs/dbraw/zinc/75/09/83/1026750983.db2.gz XYZJEMWYTISOCF-STQMWFEESA-N 0 2 321.314 3.943 20 0 DHADLN CCCC[C@H](NC(=O)[C@H](F)C(F)(F)F)c1ccc(OC)cc1 ZINC000810345557 1026750992 /nfs/dbraw/zinc/75/09/92/1026750992.db2.gz XYZJEMWYTISOCF-STQMWFEESA-N 0 2 321.314 3.943 20 0 DHADLN CC(C)CN(Cc1ccccc1F)C(=O)C(F)C(F)(F)F ZINC000810422989 1026758503 /nfs/dbraw/zinc/75/85/03/1026758503.db2.gz IJIIJOHIZYWGJT-GFCCVEGCSA-N 0 2 309.278 3.711 20 0 DHADLN CC(C)CN(Cc1ccccc1F)C(=O)[C@@H](F)C(F)(F)F ZINC000810422989 1026758542 /nfs/dbraw/zinc/75/85/42/1026758542.db2.gz IJIIJOHIZYWGJT-GFCCVEGCSA-N 0 2 309.278 3.711 20 0 DHADLN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)C(F)C(F)(F)F ZINC000810510404 1026770498 /nfs/dbraw/zinc/77/04/98/1026770498.db2.gz PKTQBXDDMHUSQP-GWCFXTLKSA-N 0 2 321.314 3.689 20 0 DHADLN CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@H](F)C(F)(F)F ZINC000810510404 1026770506 /nfs/dbraw/zinc/77/05/06/1026770506.db2.gz PKTQBXDDMHUSQP-GWCFXTLKSA-N 0 2 321.314 3.689 20 0 DHADLN CCc1ccc(C(C)(C)CNC(=O)C(F)C(F)(F)F)cc1 ZINC000810488026 1026770662 /nfs/dbraw/zinc/77/06/62/1026770662.db2.gz XTDFSGUBTPQDAG-LBPRGKRZSA-N 0 2 305.315 3.543 20 0 DHADLN CCc1ccc(C(C)(C)CNC(=O)[C@H](F)C(F)(F)F)cc1 ZINC000810488026 1026770670 /nfs/dbraw/zinc/77/06/70/1026770670.db2.gz XTDFSGUBTPQDAG-LBPRGKRZSA-N 0 2 305.315 3.543 20 0 DHADLN CC[C@@H](Cc1ccccc1)N(CC)C(=O)C(F)C(F)(F)F ZINC000810553722 1026779885 /nfs/dbraw/zinc/77/98/85/1026779885.db2.gz KYLPIQJIQIOPCE-QWHCGFSZSA-N 0 2 305.315 3.757 20 0 DHADLN CC[C@@H](Cc1ccccc1)N(CC)C(=O)[C@@H](F)C(F)(F)F ZINC000810553722 1026779894 /nfs/dbraw/zinc/77/98/94/1026779894.db2.gz KYLPIQJIQIOPCE-QWHCGFSZSA-N 0 2 305.315 3.757 20 0 DHADLN CC1(C)CC[C@H](CNC(=O)C(F)C(F)(F)F)c2ccccc21 ZINC000810857425 1026877263 /nfs/dbraw/zinc/87/72/63/1026877263.db2.gz QZNWPVWFNABPSN-MFKMUULPSA-N 0 2 317.326 3.858 20 0 DHADLN CC1(C)CC[C@H](CNC(=O)[C@H](F)C(F)(F)F)c2ccccc21 ZINC000810857425 1026877273 /nfs/dbraw/zinc/87/72/73/1026877273.db2.gz QZNWPVWFNABPSN-MFKMUULPSA-N 0 2 317.326 3.858 20 0 DHADLN O=C(N[C@@H]1C[C@H]1c1cccc2ccccc21)C(F)C(F)(F)F ZINC000811487492 1027010666 /nfs/dbraw/zinc/01/06/66/1027010666.db2.gz YRJZLMAKHLOXST-MJBXVCDLSA-N 0 2 311.278 3.712 20 0 DHADLN O=C(N[C@@H]1C[C@H]1c1cccc2ccccc21)[C@H](F)C(F)(F)F ZINC000811487492 1027010671 /nfs/dbraw/zinc/01/06/71/1027010671.db2.gz YRJZLMAKHLOXST-MJBXVCDLSA-N 0 2 311.278 3.712 20 0 DHADLN CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1cc(F)c(O)c(F)c1 ZINC000812423974 1027276615 /nfs/dbraw/zinc/27/66/15/1027276615.db2.gz AOBFLBCXZNZKNM-GHMZBOCLSA-N 0 2 313.344 3.500 20 0 DHADLN O=C(NOC/C=C/Cl)C1(c2cccc(Cl)c2)CCC1 ZINC000812409406 1027286155 /nfs/dbraw/zinc/28/61/55/1027286155.db2.gz YTNMCBFNVZWWIF-FPYGCLRLSA-N 0 2 300.185 3.562 20 0 DHADLN CCC[C@@H](C)N(C)C(=O)c1cc(Br)c(F)cc1O ZINC000448695073 1027976502 /nfs/dbraw/zinc/97/65/02/1027976502.db2.gz TVICGLGLKRZWJO-MRVPVSSYSA-N 0 2 318.186 3.554 20 0 DHADLN CO[C@@H](C)c1nsc(NCCc2cc3ccccc3s2)n1 ZINC000563692308 1028170264 /nfs/dbraw/zinc/17/02/64/1028170264.db2.gz KLQIGRIKPZMQFR-JTQLQIEISA-N 0 2 319.455 3.537 20 0 DHADLN O=C([O-])[C@H]([NH2+]Cc1cnc(C2CC2)s1)c1cccc(Cl)c1 ZINC000578979752 1028289723 /nfs/dbraw/zinc/28/97/23/1028289723.db2.gz VRNVGZWDTZSYBX-CYBMUJFWSA-N 0 2 322.817 3.589 20 0 DHADLN COc1ccccc1[C@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC000815470025 1028515021 /nfs/dbraw/zinc/51/50/21/1028515021.db2.gz HWCPFAMHMXOKKZ-YPMHNXCESA-N 0 2 319.298 3.649 20 0 DHADLN COc1ccccc1[C@H]1CCCCN1C(=O)[C@H](F)C(F)(F)F ZINC000815470025 1028515033 /nfs/dbraw/zinc/51/50/33/1028515033.db2.gz HWCPFAMHMXOKKZ-YPMHNXCESA-N 0 2 319.298 3.649 20 0 DHADLN CC(F)(F)C(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000815682125 1028599674 /nfs/dbraw/zinc/59/96/74/1028599674.db2.gz QQIVJJUBLFDLMG-QMMMGPOBSA-N 0 2 301.642 3.715 20 0 DHADLN CC(C)[C@H]1c2ccccc2CCN1C(=O)C(F)C(F)(F)F ZINC000815821982 1028630541 /nfs/dbraw/zinc/63/05/41/1028630541.db2.gz RNCUZRQBDARUCR-STQMWFEESA-N 0 2 303.299 3.669 20 0 DHADLN CC(C)[C@H]1c2ccccc2CCN1C(=O)[C@H](F)C(F)(F)F ZINC000815821982 1028630558 /nfs/dbraw/zinc/63/05/58/1028630558.db2.gz RNCUZRQBDARUCR-STQMWFEESA-N 0 2 303.299 3.669 20 0 DHADLN C[C@H](Oc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc2ccccc2o1 ZINC000041546902 1028748931 /nfs/dbraw/zinc/74/89/31/1028748931.db2.gz NFBCHGQLKKIESL-FZMZJTMJSA-N 0 2 324.311 3.611 20 0 DHADLN C[C@H](Oc1ccc(F)cc1)C(=O)[C@@H](C#N)c1nc2ccccc2o1 ZINC000041546896 1028748957 /nfs/dbraw/zinc/74/89/57/1028748957.db2.gz NFBCHGQLKKIESL-SMDDNHRTSA-N 0 2 324.311 3.611 20 0 DHADLN Oc1cc(F)c(-c2ccnc(-c3cncs3)n2)cc1Cl ZINC001245670329 1028981218 /nfs/dbraw/zinc/98/12/18/1028981218.db2.gz PYZVXGFBYRKTDQ-UHFFFAOYSA-N 0 2 307.737 3.765 20 0 DHADLN CC[C@@H](C)CONC(=O)C1(c2ccc(OC)cc2)CCCC1 ZINC000816976429 1029044944 /nfs/dbraw/zinc/04/49/44/1029044944.db2.gz CLKYTAHRNSBIQF-CQSZACIVSA-N 0 2 305.418 3.601 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000817605722 1029225706 /nfs/dbraw/zinc/22/57/06/1029225706.db2.gz ZOBBNQWFDXSCGY-GXSJLCMTSA-N 0 2 309.690 3.556 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CC[C@H](c2cccc(Cl)c2)C1 ZINC000817605722 1029225721 /nfs/dbraw/zinc/22/57/21/1029225721.db2.gz ZOBBNQWFDXSCGY-GXSJLCMTSA-N 0 2 309.690 3.556 20 0 DHADLN N#C[C@H](C(=O)Cc1cccc(Cl)c1)c1cnc2ccccc2n1 ZINC000190995568 1029242669 /nfs/dbraw/zinc/24/26/69/1029242669.db2.gz FACATKQHBYVUHX-AWEZNQCLSA-N 0 2 321.767 3.702 20 0 DHADLN CC1(C)C[C@H](c2ccccc2)N(C(=O)C(F)C(F)(F)F)C1 ZINC000819748805 1029609669 /nfs/dbraw/zinc/60/96/69/1029609669.db2.gz FMXSVYCJSAAQRY-VXGBXAGGSA-N 0 2 303.299 3.887 20 0 DHADLN CC1(C)C[C@H](c2ccccc2)N(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000819748805 1029609671 /nfs/dbraw/zinc/60/96/71/1029609671.db2.gz FMXSVYCJSAAQRY-VXGBXAGGSA-N 0 2 303.299 3.887 20 0 DHADLN O=C(NOc1ccccc1)C1(Cc2ccccc2Cl)CC1 ZINC000820044152 1029652715 /nfs/dbraw/zinc/65/27/15/1029652715.db2.gz XUWHFRYBUQNBTD-UHFFFAOYSA-N 0 2 301.773 3.773 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)C1(Br)CC1 ZINC000821448061 1029841196 /nfs/dbraw/zinc/84/11/96/1029841196.db2.gz GSKLPFBTSBDJRL-UHFFFAOYSA-N 0 2 324.989 3.565 20 0 DHADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccc2ccccc2n1 ZINC000357324840 1029998564 /nfs/dbraw/zinc/99/85/64/1029998564.db2.gz LDDVDDYHSIJDEJ-UHFFFAOYSA-N 0 2 322.393 3.582 20 0 DHADLN CC(C)c1nsc(NC[C@H]2SCCc3ccccc32)n1 ZINC000530931175 1030090795 /nfs/dbraw/zinc/09/07/95/1030090795.db2.gz WRFURGGUTQVTPW-CYBMUJFWSA-N 0 2 305.472 3.526 20 0 DHADLN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)C(F)C(F)(F)F ZINC000290907544 1030245709 /nfs/dbraw/zinc/24/57/09/1030245709.db2.gz MSQWOHOPZGHDTB-NWDGAFQWSA-N 0 2 307.287 3.505 20 0 DHADLN CC[C@@H](c1cccc(OC)c1)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC000290907544 1030245715 /nfs/dbraw/zinc/24/57/15/1030245715.db2.gz MSQWOHOPZGHDTB-NWDGAFQWSA-N 0 2 307.287 3.505 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@@H]1CCCc1ccccc1 ZINC000291337531 1030458183 /nfs/dbraw/zinc/45/81/83/1030458183.db2.gz QYUKJENOKIPJQM-UONOGXRCSA-N 0 2 317.326 3.901 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCC[C@@H]1CCCc1ccccc1 ZINC000291337531 1030458196 /nfs/dbraw/zinc/45/81/96/1030458196.db2.gz QYUKJENOKIPJQM-UONOGXRCSA-N 0 2 317.326 3.901 20 0 DHADLN Cc1cc(C)cc([C@H](C)[NH2+]Cc2nnc(-c3ccccc3)[nH]2)c1 ZINC000777578503 1030540562 /nfs/dbraw/zinc/54/05/62/1030540562.db2.gz KKYPODBQKIKLHI-HNNXBMFYSA-N 0 2 306.413 3.939 20 0 DHADLN Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)c3cccc(Cl)c3F)C2)[nH]1 ZINC000359914700 1031194636 /nfs/dbraw/zinc/19/46/36/1031194636.db2.gz ZGISBDCPRGVAII-CMPLNLGQSA-N 0 2 322.815 3.846 20 0 DHADLN Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)c3cccc(Cl)c3F)C2)[nH]1 ZINC000359914700 1031194645 /nfs/dbraw/zinc/19/46/45/1031194645.db2.gz ZGISBDCPRGVAII-CMPLNLGQSA-N 0 2 322.815 3.846 20 0 DHADLN Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)c3cccc(Cl)c3F)C2)n1 ZINC000359914700 1031194651 /nfs/dbraw/zinc/19/46/51/1031194651.db2.gz ZGISBDCPRGVAII-CMPLNLGQSA-N 0 2 322.815 3.846 20 0 DHADLN CCOc1ccc(CN(C(=O)C(F)C(F)(F)F)C(C)C)cc1 ZINC000292850594 1031215485 /nfs/dbraw/zinc/21/54/85/1031215485.db2.gz BTTLMZCSZGMHHR-CYBMUJFWSA-N 0 2 321.314 3.723 20 0 DHADLN CCOc1ccc(CN(C(=O)[C@@H](F)C(F)(F)F)C(C)C)cc1 ZINC000292850594 1031215503 /nfs/dbraw/zinc/21/55/03/1031215503.db2.gz BTTLMZCSZGMHHR-CYBMUJFWSA-N 0 2 321.314 3.723 20 0 DHADLN C[C@@H](CSc1ccccc1)N(C)C(=O)C(F)C(F)(F)F ZINC000844685392 1031296302 /nfs/dbraw/zinc/29/63/02/1031296302.db2.gz WVFRBDODAAMQFD-GXSJLCMTSA-N 0 2 309.328 3.526 20 0 DHADLN C[C@@H](CSc1ccccc1)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC000844685392 1031296323 /nfs/dbraw/zinc/29/63/23/1031296323.db2.gz WVFRBDODAAMQFD-GXSJLCMTSA-N 0 2 309.328 3.526 20 0 DHADLN C[C@H](CSc1ccccc1)N(C)C(=O)C(F)C(F)(F)F ZINC000844685393 1031297830 /nfs/dbraw/zinc/29/78/30/1031297830.db2.gz WVFRBDODAAMQFD-KOLCDFICSA-N 0 2 309.328 3.526 20 0 DHADLN C[C@H](CSc1ccccc1)N(C)C(=O)[C@H](F)C(F)(F)F ZINC000844685393 1031297840 /nfs/dbraw/zinc/29/78/40/1031297840.db2.gz WVFRBDODAAMQFD-KOLCDFICSA-N 0 2 309.328 3.526 20 0 DHADLN COc1ccc([C@H](C)N(C)Cc2cc(F)c(O)cc2F)cc1 ZINC001144657622 1031794901 /nfs/dbraw/zinc/79/49/01/1031794901.db2.gz ANQJGQHWIUOPHT-NSHDSACASA-N 0 2 307.340 3.872 20 0 DHADLN CC(C)(C)CCCCNC(=O)C1=NN(c2ccccc2)CC1=O ZINC001144898615 1032036446 /nfs/dbraw/zinc/03/64/46/1032036446.db2.gz VLPLTRPHUCFNEY-UHFFFAOYSA-N 0 2 315.417 3.524 20 0 DHADLN CC(C)ONC(=O)C(C)(C)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000861878871 1033728859 /nfs/dbraw/zinc/72/88/59/1033728859.db2.gz BYXAXIIBCUPBDV-LBPRGKRZSA-N 0 2 320.216 3.509 20 0 DHADLN CC1(C)CO[C@@H](CC(=O)Nc2cc(Cl)c(O)c(Cl)c2)C1 ZINC000717116059 1033939679 /nfs/dbraw/zinc/93/96/79/1033939679.db2.gz TYAQCOUKUJOPLW-VIFPVBQESA-N 0 2 318.200 3.843 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCC[C@@H]1Cc1ccccc1 ZINC000177009213 1034128447 /nfs/dbraw/zinc/12/84/47/1034128447.db2.gz RCCRTPUQMMSQAL-CQSZACIVSA-N 0 2 317.335 3.518 20 0 DHADLN CCC[N@H+](CC(=O)[O-])Cc1csc(-c2ccc(CC)cc2)n1 ZINC000184926642 1034512645 /nfs/dbraw/zinc/51/26/45/1034512645.db2.gz HQLPLCBCQJNVQD-UHFFFAOYSA-N 0 2 318.442 3.669 20 0 DHADLN CCC[N@@H+](CC(=O)[O-])Cc1csc(-c2ccc(CC)cc2)n1 ZINC000184926642 1034512658 /nfs/dbraw/zinc/51/26/58/1034512658.db2.gz HQLPLCBCQJNVQD-UHFFFAOYSA-N 0 2 318.442 3.669 20 0 DHADLN Cc1ccc(C(=O)[O-])cc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001174981024 1034745321 /nfs/dbraw/zinc/74/53/21/1034745321.db2.gz AXOIQWTZSYDFMJ-UHFFFAOYSA-N 0 2 311.385 3.822 20 0 DHADLN COc1cc(Nc2ccc(N3CCCC3)[nH+]c2)ccc1[S-] ZINC001175348296 1034922275 /nfs/dbraw/zinc/92/22/75/1034922275.db2.gz DJLAHLLOURHQFB-UHFFFAOYSA-N 0 2 301.415 3.723 20 0 DHADLN O=C([O-])c1ccc(Nc2ccc[nH+]c2N2CCCC2)cc1Cl ZINC001175314706 1034929122 /nfs/dbraw/zinc/92/91/22/1034929122.db2.gz XURZVZUHCOYUTR-UHFFFAOYSA-N 0 2 317.776 3.777 20 0 DHADLN O=C([O-])CCCCNc1[nH+]ccc2cc(Br)ccc21 ZINC000668160410 1035199487 /nfs/dbraw/zinc/19/94/87/1035199487.db2.gz GTAWBGUEFUTEDT-UHFFFAOYSA-N 0 2 323.190 3.664 20 0 DHADLN Cc1cccc([C@@H]([NH2+]Cc2cnc(C3CCC3)s2)C(=O)[O-])c1 ZINC000904265498 1035389708 /nfs/dbraw/zinc/38/97/08/1035389708.db2.gz ZWYZFQHEDJDUHW-OAHLLOKOSA-N 0 2 316.426 3.635 20 0 DHADLN Cc1ncc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)s1 ZINC000443453808 1035692018 /nfs/dbraw/zinc/69/20/18/1035692018.db2.gz MGNYYQARMLVDMM-UHFFFAOYSA-N 0 2 323.226 3.559 20 0 DHADLN CCCS(=O)(=O)Nc1ncc(Cc2ccc(C)c(C)c2)s1 ZINC000539599570 1035787144 /nfs/dbraw/zinc/78/71/44/1035787144.db2.gz RYTVBUPGHXXLLO-UHFFFAOYSA-N 0 2 324.471 3.502 20 0 DHADLN C[C@H](N[C@@H]1C[N@H+]2C[C@@H]1CCC2)c1nc(-c2ccccc2)cs1 ZINC000925377565 1035802361 /nfs/dbraw/zinc/80/23/61/1035802361.db2.gz QPGUNYJNIMDIBX-CWRNSKLLSA-N 0 2 313.470 3.555 20 0 DHADLN CCCOC(=O)Nc1cc(Br)cc(Cl)c1O ZINC001194130058 1035835960 /nfs/dbraw/zinc/83/59/60/1035835960.db2.gz APTMJEZMWLABLK-UHFFFAOYSA-N 0 2 308.559 3.767 20 0 DHADLN O=S(=O)(Nc1cnsc1)c1ccc2c(Cl)cccc2c1 ZINC001194226159 1035883755 /nfs/dbraw/zinc/88/37/55/1035883755.db2.gz TXORACAYODPAOC-UHFFFAOYSA-N 0 2 324.814 3.751 20 0 DHADLN Cc1coc(NS(=O)(=O)c2cccc3c(Cl)cccc32)n1 ZINC001194403967 1035921682 /nfs/dbraw/zinc/92/16/82/1035921682.db2.gz SSHBXJBBVPIROV-UHFFFAOYSA-N 0 2 322.773 3.590 20 0 DHADLN CC[C@H](C)COC(=O)Nc1ccc(F)c(Br)c1O ZINC001194805743 1036038222 /nfs/dbraw/zinc/03/82/22/1036038222.db2.gz VZSXVETUQYSXAP-ZETCQYMHSA-N 0 2 320.158 3.888 20 0 DHADLN Cc1cccc(Cl)c1S(=O)(=O)Nc1cnccc1C1CC1 ZINC001195278841 1036201934 /nfs/dbraw/zinc/20/19/34/1036201934.db2.gz RVUQFZMLOLFWBT-UHFFFAOYSA-N 0 2 322.817 3.722 20 0 DHADLN COc1ccc([C@H](C)N(C)C(=O)c2cccc(Cl)c2O)cc1 ZINC000775649618 1036226107 /nfs/dbraw/zinc/22/61/07/1036226107.db2.gz MIIDOUKGQKQYTK-NSHDSACASA-N 0 2 319.788 3.887 20 0 DHADLN O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cccc(Cl)c1O ZINC000775656614 1036243555 /nfs/dbraw/zinc/24/35/55/1036243555.db2.gz LELRELOAEJVRCI-UHFFFAOYSA-N 0 2 313.744 3.688 20 0 DHADLN Cc1ccc(CN(C(=O)c2cccc(Cl)c2O)C2CC2)o1 ZINC000775661143 1036279823 /nfs/dbraw/zinc/27/98/23/1036279823.db2.gz JZYIDORQJCQFNL-UHFFFAOYSA-N 0 2 305.761 3.752 20 0 DHADLN CCC[C@](C)(CC)C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC001182474804 1036359452 /nfs/dbraw/zinc/35/94/52/1036359452.db2.gz SDWYNUIROIJVSE-INIZCTEOSA-N 0 2 304.369 3.766 20 0 DHADLN Cc1cc(NC(=O)c2cc(Cl)ncc2O)cc2scnc21 ZINC001196396687 1036522037 /nfs/dbraw/zinc/52/20/37/1036522037.db2.gz MHVCLWANHSHKSS-UHFFFAOYSA-N 0 2 319.773 3.611 20 0 DHADLN C[C@H]1Cc2ccccc2N(C(=O)c2cccc(Cl)c2O)C1 ZINC000775716987 1036536681 /nfs/dbraw/zinc/53/66/81/1036536681.db2.gz KRAJTMPJLWRQET-NSHDSACASA-N 0 2 301.773 3.885 20 0 DHADLN Cn1nc(CC(C)(C)C)cc1NC(=O)c1cccc(Cl)c1O ZINC000775725990 1036561849 /nfs/dbraw/zinc/56/18/49/1036561849.db2.gz NOQYZKJZCIXSHH-UHFFFAOYSA-N 0 2 321.808 3.620 20 0 DHADLN O=C(Nc1ccc(C2CC2)c2ccccc12)C(CO)C(F)(F)F ZINC001183286064 1036571668 /nfs/dbraw/zinc/57/16/68/1036571668.db2.gz WUAOBBRRSFJLEC-CQSZACIVSA-N 0 2 323.314 3.827 20 0 DHADLN O=C(Nc1ccc(C2CC2)c2ccccc12)[C@@H](CO)C(F)(F)F ZINC001183286064 1036571677 /nfs/dbraw/zinc/57/16/77/1036571677.db2.gz WUAOBBRRSFJLEC-CQSZACIVSA-N 0 2 323.314 3.827 20 0 DHADLN O=C(N[C@@H]1CCCc2c(F)cccc21)c1c(O)cc(F)cc1F ZINC001183610832 1036627013 /nfs/dbraw/zinc/62/70/13/1036627013.db2.gz INTSGPLPYQBWTP-CQSZACIVSA-N 0 2 321.298 3.617 20 0 DHADLN O=C(NC[C@H](c1ccccc1)C1CC1)c1c(O)cc(F)cc1F ZINC001183589574 1036631813 /nfs/dbraw/zinc/63/18/13/1036631813.db2.gz RQRKPCSBCMVUSS-CQSZACIVSA-N 0 2 317.335 3.594 20 0 DHADLN O=C(Nc1cc(C2CCCC2)[nH]n1)c1cccc(Cl)c1O ZINC000775748640 1036644870 /nfs/dbraw/zinc/64/48/70/1036644870.db2.gz JZSUKVVKNZRDQU-UHFFFAOYSA-N 0 2 305.765 3.679 20 0 DHADLN CC[C@](C)(NC(=O)c1cccc(Cl)c1O)c1nccs1 ZINC000775752787 1036661717 /nfs/dbraw/zinc/66/17/17/1036661717.db2.gz GARTZKXPLKVFNE-AWEZNQCLSA-N 0 2 310.806 3.557 20 0 DHADLN Cc1nc(NS(=O)(=O)CCC2CC2)sc1-c1ccccc1 ZINC000762578254 1036851582 /nfs/dbraw/zinc/85/15/82/1036851582.db2.gz IQCYLXLLVCDDOB-UHFFFAOYSA-N 0 2 322.455 3.660 20 0 DHADLN CCSCc1ccnc(NC(=O)c2cccc(Cl)c2O)c1 ZINC000775803284 1036909441 /nfs/dbraw/zinc/90/94/41/1036909441.db2.gz GGWHZCIXJVCFDV-UHFFFAOYSA-N 0 2 322.817 3.946 20 0 DHADLN O=S(=O)(Nc1scnc1C1CC1)c1ccc2occc2c1 ZINC001198829790 1037133830 /nfs/dbraw/zinc/13/38/30/1037133830.db2.gz WPHSFGLCQBHBSU-UHFFFAOYSA-N 0 2 320.395 3.568 20 0 DHADLN CC[C@@H](C)n1nc(NC(=O)c2cccc(Cl)c2O)cc1C ZINC000775952095 1037234418 /nfs/dbraw/zinc/23/44/18/1037234418.db2.gz RIBAHZZSNQYXLR-SECBINFHSA-N 0 2 307.781 3.774 20 0 DHADLN CC(C)(C)c1nc(=NCc2cc(-c3ccccc3)no2)s[nH]1 ZINC000489343433 1037376563 /nfs/dbraw/zinc/37/65/63/1037376563.db2.gz SVSWYJRJCZBGIQ-UHFFFAOYSA-N 0 2 314.414 3.525 20 0 DHADLN O=C(NCCC(F)(F)F)Nc1cc(Cl)cc(Cl)c1O ZINC001187010223 1037541449 /nfs/dbraw/zinc/54/14/49/1037541449.db2.gz ASYBSROLUGKXPK-UHFFFAOYSA-N 0 2 317.094 3.773 20 0 DHADLN Cc1cccc(NS(=O)(=O)c2cc3c(s2)CCCC3)c1 ZINC001187173627 1037595330 /nfs/dbraw/zinc/59/53/30/1037595330.db2.gz HVVZGHKHGQLRCY-UHFFFAOYSA-N 0 2 307.440 3.736 20 0 DHADLN COc1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)c1 ZINC000220310915 1037929236 /nfs/dbraw/zinc/92/92/36/1037929236.db2.gz QMFXPUAHMJNMGY-UHFFFAOYSA-N 0 2 312.152 3.960 20 0 DHADLN COc1ccc(/C=C/C(=O)c2ccc(O)c(Cl)c2)c(OC)c1 ZINC000044602955 1038058935 /nfs/dbraw/zinc/05/89/35/1038058935.db2.gz VPFIQPQADJDWGC-QPJJXVBHSA-N 0 2 318.756 3.959 20 0 DHADLN Cc1cc(C)c(C(=O)[C@@H](C)S(=O)(=O)c2ccccc2)cc1C ZINC000189175260 1038082148 /nfs/dbraw/zinc/08/21/48/1038082148.db2.gz GGKFKWSTZCLZRG-OAHLLOKOSA-N 0 2 316.422 3.657 20 0 DHADLN Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]1c1ccc(F)cc1F ZINC000571176655 1038084620 /nfs/dbraw/zinc/08/46/20/1038084620.db2.gz XPKKAISQQVBYRX-SFHVURJKSA-N 0 2 319.399 3.858 20 0 DHADLN Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1c1ccc(F)cc1F ZINC000571176653 1038086270 /nfs/dbraw/zinc/08/62/70/1038086270.db2.gz XPKKAISQQVBYRX-GOSISDBHSA-N 0 2 319.399 3.858 20 0 DHADLN O=S(=O)(CC1CCCC1)Nc1ccc(Cl)c(Cl)c1O ZINC001191529435 1038515361 /nfs/dbraw/zinc/51/53/61/1038515361.db2.gz GPUISZICMHIENS-UHFFFAOYSA-N 0 2 324.229 3.631 20 0 DHADLN C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)cn1 ZINC000775494305 1038573180 /nfs/dbraw/zinc/57/31/80/1038573180.db2.gz ZJFGSPXSMBTOKF-SWLSCSKDSA-N 0 2 306.841 3.697 20 0 DHADLN CC(C)C[C@@H](NC(=O)c1c(F)ccc(F)c1O)c1ccccn1 ZINC001192719889 1038696500 /nfs/dbraw/zinc/69/65/00/1038696500.db2.gz NVFLYJAQPHQILH-CQSZACIVSA-N 0 2 320.339 3.583 20 0 DHADLN Cc1cc(C)cc([C@@H](C)NC(=O)c2c(F)ccc(F)c2O)c1 ZINC001192721191 1038697537 /nfs/dbraw/zinc/69/75/37/1038697537.db2.gz ZBOXHDWAGWVRIF-LLVKDONJSA-N 0 2 305.324 3.778 20 0 DHADLN CN(C(=O)c1ccc(F)c(F)c1O)C(C)(C)Cc1ccccc1 ZINC001192806612 1038702484 /nfs/dbraw/zinc/70/24/84/1038702484.db2.gz FWHTWQNHXVBFFB-UHFFFAOYSA-N 0 2 319.351 3.764 20 0 DHADLN O=C(NCc1cccc(C(F)F)c1)c1ccc(F)c(F)c1O ZINC001192810830 1038702981 /nfs/dbraw/zinc/70/29/81/1038702981.db2.gz NLIPLRRZXLHVRP-UHFFFAOYSA-N 0 2 313.250 3.538 20 0 DHADLN CC[C@H](NC(=O)c1cc(F)c(O)cc1F)c1ccccc1OC ZINC001192877057 1038707078 /nfs/dbraw/zinc/70/70/78/1038707078.db2.gz OHDUFHVDOBHBJB-AWEZNQCLSA-N 0 2 321.323 3.560 20 0 DHADLN O=C(Nc1nc2ccccc2s1)c1cc(F)c(O)cc1F ZINC001192849643 1038709257 /nfs/dbraw/zinc/70/92/57/1038709257.db2.gz QDWNEQTWEHUQBX-UHFFFAOYSA-N 0 2 306.293 3.532 20 0 DHADLN CCOc1ccc([C@@H](C)NC(=O)c2cc(F)c(O)cc2F)cc1 ZINC001192888577 1038712598 /nfs/dbraw/zinc/71/25/98/1038712598.db2.gz WYEZKGKMBOURLV-SNVBAGLBSA-N 0 2 321.323 3.560 20 0 DHADLN CCc1cc(NS(=O)(=O)c2cnccc2Cl)c(C)cc1C ZINC001192902832 1038713968 /nfs/dbraw/zinc/71/39/68/1038713968.db2.gz SCDZMLDHUDXXJR-UHFFFAOYSA-N 0 2 324.833 3.715 20 0 DHADLN Cc1cccc(C2CC2)c1NS(=O)(=O)c1cnccc1Cl ZINC001192902483 1038714348 /nfs/dbraw/zinc/71/43/48/1038714348.db2.gz IECGOZLMYJSPST-UHFFFAOYSA-N 0 2 322.817 3.722 20 0 DHADLN O=C(NC1(c2cccc(Br)c2)CCC1)C(F)(F)F ZINC000171290962 1039419247 /nfs/dbraw/zinc/41/92/47/1039419247.db2.gz GPKVAJQUJAYQBK-UHFFFAOYSA-N 0 2 322.124 3.507 20 0 DHADLN N#CC(C(=O)Cc1ccccc1F)c1nc2ccccc2s1 ZINC000046441826 1039638314 /nfs/dbraw/zinc/63/83/14/1039638314.db2.gz IRAXENKMAPXLPU-GFCCVEGCSA-N 0 2 310.353 3.854 20 0 DHADLN N#C[C@H](C(=O)Cc1ccccc1F)c1nc2ccccc2s1 ZINC000046441826 1039638325 /nfs/dbraw/zinc/63/83/25/1039638325.db2.gz IRAXENKMAPXLPU-GFCCVEGCSA-N 0 2 310.353 3.854 20 0 DHADLN Cc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1C(F)(F)F ZINC000192771828 1040470285 /nfs/dbraw/zinc/47/02/85/1040470285.db2.gz XSNJFQAMALCWJJ-UHFFFAOYSA-N 0 2 320.274 3.537 20 0 DHADLN O=C(COCC1CCCC1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000456005913 1040674800 /nfs/dbraw/zinc/67/48/00/1040674800.db2.gz BKIVHULWGUMNTE-UHFFFAOYSA-N 0 2 318.200 3.844 20 0 DHADLN C[C@@H]1CCN(C(=O)c2cc(F)c(O)c(F)c2)[C@@H](c2ccco2)C1 ZINC000180102967 334943590 /nfs/dbraw/zinc/94/35/90/334943590.db2.gz NGUDZNRHCKYCBN-QMTHXVAHSA-N 0 2 321.323 3.877 20 0 DHADLN CCc1ncc(CNc2cccc(NC(=O)C(C)C)c2)s1 ZINC000037924427 182937113 /nfs/dbraw/zinc/93/71/13/182937113.db2.gz SNDQJAZGPPULBW-UHFFFAOYSA-N 0 2 303.431 3.912 20 0 DHADLN Cc1nc(CC(C)C)c(NS(=O)(=O)c2ccsc2)s1 ZINC000285226073 131149864 /nfs/dbraw/zinc/14/98/64/131149864.db2.gz VCGPYNCCIMPGSA-UHFFFAOYSA-N 0 2 316.473 3.512 20 0 DHADLN CC[C@@H](C)N(CC(=O)OC(C)(C)C)C(=O)c1ccc(C)cc1 ZINC000533531871 331574306 /nfs/dbraw/zinc/57/43/06/331574306.db2.gz DEPQYDMHCUQABX-CQSZACIVSA-N 0 2 305.418 3.577 20 0 DHADLN CC(C)(CNC(=O)c1cc(F)c(O)c(Cl)c1)C(F)(F)F ZINC000558720084 331938565 /nfs/dbraw/zinc/93/85/65/331938565.db2.gz DHCVXOFJNGBSBY-UHFFFAOYSA-N 0 2 313.678 3.503 20 0 DHADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)[C@H]1CC=CCC1 ZINC000520098697 332127413 /nfs/dbraw/zinc/12/74/13/332127413.db2.gz LWUHEWXMJNFOGU-JTQLQIEISA-N 0 2 319.817 3.575 20 0 DHADLN O=C([O-])[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1cccs1 ZINC000426797531 332154872 /nfs/dbraw/zinc/15/48/72/332154872.db2.gz BKSAGHGUTQTQNA-INIZCTEOSA-N 0 2 313.378 3.924 20 0 DHADLN Cc1cc2cc(C[NH2+][C@@H](C(=O)[O-])c3ccccc3)oc2cc1C ZINC000426817779 332157309 /nfs/dbraw/zinc/15/73/09/332157309.db2.gz 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Cc1ccc(-c2ccc(C[NH2+]CC(F)(F)C(=O)[O-])s2)cc1 ZINC000904032900 1035347565 /nfs/dbraw/zinc/34/75/65/1035347565.db2.gz YOAYNKXEBNPCRO-UHFFFAOYSA-N 0 2 311.353 3.533 20 0 DHADLN Fc1ccc(-c2cccc(Cn3cc[nH+]c3)c2)cc1C[NH2+]C1CC1 ZINC000904754840 1035447749 /nfs/dbraw/zinc/44/77/49/1035447749.db2.gz YINOOHLVFZNWHV-UHFFFAOYSA-N 0 2 321.399 3.990 20 0 DHADLN Cc1c(Cl)cc(NS(=O)(=O)CC2CCC2)c(O)c1Cl ZINC001193514103 1035657801 /nfs/dbraw/zinc/65/78/01/1035657801.db2.gz FPTUBFUCIRMNIR-UHFFFAOYSA-N 0 2 324.229 3.549 20 0 DHADLN CCCc1cnc(NS(=O)(=O)c2ccc(CC)s2)s1 ZINC000540654187 1036119918 /nfs/dbraw/zinc/11/99/18/1036119918.db2.gz AGQYYNGHDQCANL-UHFFFAOYSA-N 0 2 316.473 3.520 20 0 DHADLN Cc1ccccc1OCCN(C)C(=O)c1cccc(Cl)c1O ZINC000775644265 1036163556 /nfs/dbraw/zinc/16/35/56/1036163556.db2.gz CUUPZSKZWSMNHU-UHFFFAOYSA-N 0 2 319.788 3.505 20 0 DHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)[C@H]1Cc2ccccc21 ZINC000230871827 1036404387 /nfs/dbraw/zinc/40/43/87/1036404387.db2.gz ILDQGLVGPYGOQA-NSHDSACASA-N 0 2 308.164 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ZINC000572398597 1038363524 /nfs/dbraw/zinc/36/35/24/1038363524.db2.gz SLERGOKUAJFDRN-DUXPYHPUSA-N 0 2 309.337 3.799 20 0 DHADLN CC(C)C[N@H+](CC(=O)[O-])Cc1cc(-c2ccccc2Cl)on1 ZINC000572415253 1038365539 /nfs/dbraw/zinc/36/55/39/1038365539.db2.gz ZEXLPLWLHDOVAN-UHFFFAOYSA-N 0 2 322.792 3.538 20 0 DHADLN CC(C)C[N@@H+](CC(=O)[O-])Cc1cc(-c2ccccc2Cl)on1 ZINC000572415253 1038365553 /nfs/dbraw/zinc/36/55/53/1038365553.db2.gz ZEXLPLWLHDOVAN-UHFFFAOYSA-N 0 2 322.792 3.538 20 0 DHADLN CC(C)(Cc1ccc(F)cc1)NC(=O)c1c(F)ccc(F)c1O ZINC001192715892 1038696874 /nfs/dbraw/zinc/69/68/74/1038696874.db2.gz AXYZGWFCRSVMJB-UHFFFAOYSA-N 0 2 323.314 3.561 20 0 DHADLN O=C(NCc1cccc(C(F)F)c1)c1c(F)ccc(F)c1O ZINC001192716263 1038697330 /nfs/dbraw/zinc/69/73/30/1038697330.db2.gz KTXFUMYKESRALW-UHFFFAOYSA-N 0 2 313.250 3.538 20 0 DHADLN O=C([O-])c1c(-c2ccc(Cl)c(Cl)c2)[nH+]c2n1CCCC2 ZINC000573339595 1038904367 /nfs/dbraw/zinc/90/43/67/1038904367.db2.gz PYHIOWHUFFEYNS-UHFFFAOYSA-N 0 2 311.168 3.891 20 0 DHADLN C[C@@H](CC(=O)N=c1nc(C(C)(C)C)[nH]s1)c1cccc(F)c1 ZINC000604704856 1039520164 /nfs/dbraw/zinc/52/01/64/1039520164.db2.gz FDTCSLHKOLWYFV-JTQLQIEISA-N 0 2 321.421 3.529 20 0 DHADLN Cc1ccccc1[C@@H](C)CC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000604705109 1039520315 /nfs/dbraw/zinc/52/03/15/1039520315.db2.gz IPRLHPMUVWQWEX-LBPRGKRZSA-N 0 2 317.458 3.698 20 0 DHADLN Cc1cc(C)cc([C@H](C)NC(=O)c2c(O)cc(F)cc2F)c1 ZINC000593424774 1039542432 /nfs/dbraw/zinc/54/24/32/1039542432.db2.gz STZMIFZQOKOIAO-NSHDSACASA-N 0 2 305.324 3.778 20 0 DHADLN CCc1csc(NS(=O)(=O)c2c(CC)cccc2CC)n1 ZINC000606142934 1039781424 /nfs/dbraw/zinc/78/14/24/1039781424.db2.gz OHQXRCTUCUXMCT-UHFFFAOYSA-N 0 2 324.471 3.631 20 0 DHADLN Cc1cccc([C@H](C)CNC(=O)c2c(O)cc(F)cc2F)c1 ZINC000607390326 1040147171 /nfs/dbraw/zinc/14/71/71/1040147171.db2.gz GFOYCOWFTWKLNP-LLVKDONJSA-N 0 2 305.324 3.512 20 0 DHADLN CCOc1ccc(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)cc1 ZINC000761116587 1040173255 /nfs/dbraw/zinc/17/32/55/1040173255.db2.gz 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ZINC000561105542 332411646 /nfs/dbraw/zinc/41/16/46/332411646.db2.gz MZFBINUTZQFUIV-VIFPVBQESA-N 0 2 301.337 3.585 20 0 DHADLN O=C(NCC1(c2ccccc2)CCC1)c1cc(F)c(O)c(F)c1 ZINC000176998081 332966173 /nfs/dbraw/zinc/96/61/73/332966173.db2.gz PZIUGZBYGTYDFL-UHFFFAOYSA-N 0 2 317.335 3.522 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N(Cc1ccc(F)cc1)C1CC1 ZINC000177001127 332966425 /nfs/dbraw/zinc/96/64/25/332966425.db2.gz KEYOZJMECUVNDH-UHFFFAOYSA-N 0 2 321.298 3.614 20 0 DHADLN COc1c(C)ccc(NC(=O)c2cc(F)c(O)c(F)c2)c1C ZINC000186589099 333375302 /nfs/dbraw/zinc/37/53/02/333375302.db2.gz CGDCMRFKXNYHCN-UHFFFAOYSA-N 0 2 307.296 3.548 20 0 DHADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccccc2)c1C1CC1 ZINC000534235677 333568318 /nfs/dbraw/zinc/56/83/18/333568318.db2.gz OXDKCANUZBBJES-GFCCVEGCSA-N 0 2 319.430 3.532 20 0 DHADLN CC(C)(C)c1nc(=NCc2cnccc2C(C)(C)C)s[nH]1 ZINC000413506613 333851271 /nfs/dbraw/zinc/85/12/71/333851271.db2.gz FGKXCUMXDHTWQN-UHFFFAOYSA-N 0 2 304.463 3.562 20 0 DHADLN CCc1ccc(S(=O)(=O)Nc2ccccc2SC)s1 ZINC000048653168 334290929 /nfs/dbraw/zinc/29/09/29/334290929.db2.gz WXSFSNVODMPIDC-UHFFFAOYSA-N 0 2 313.469 3.833 20 0 DHADLN CSc1ccc(Cl)cc1NS(=O)(=O)c1cccs1 ZINC000049306718 334325119 /nfs/dbraw/zinc/32/51/19/334325119.db2.gz XLENKQLEYOBDQI-UHFFFAOYSA-N 0 2 319.860 3.924 20 0 DHADLN Cc1nc(=N[C@@H](C)c2ccc(Oc3cccnc3)cc2)s[nH]1 ZINC000340796356 334386213 /nfs/dbraw/zinc/38/62/13/334386213.db2.gz LEAACDSUSKHXDD-NSHDSACASA-N 0 2 312.398 3.629 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2ncccc2C(C)C)c(Cl)c1 ZINC000443407336 338450966 /nfs/dbraw/zinc/45/09/66/338450966.db2.gz CXCQWJJJAYKXAE-UHFFFAOYSA-N 0 2 324.833 3.968 20 0 DHADLN CC(C)(C)Cc1csc(NS(=O)(=O)c2cccs2)n1 ZINC000330678325 334803900 /nfs/dbraw/zinc/80/39/00/334803900.db2.gz JYSWPQSERTZJJO-UHFFFAOYSA-N 0 2 316.473 3.594 20 0 DHADLN Cc1cc(Cl)ccc1S(=O)(=O)Nc1cc(C(C)C)on1 ZINC000331041454 334831358 /nfs/dbraw/zinc/83/13/58/334831358.db2.gz DNTIHGVAMCRGIL-UHFFFAOYSA-N 0 2 314.794 3.561 20 0 DHADLN O=c1nc([C@H]2CSc3ccccc3O2)[nH]c2ccsc21 ZINC000345192940 335306651 /nfs/dbraw/zinc/30/66/51/335306651.db2.gz UVTVFNMODVFNTC-SNVBAGLBSA-N 0 2 302.380 3.623 20 0 DHADLN CC(C)[NH+]1CCc2nc(C[N@@H+](C)[C@@H]3CCC[C@@H](C)C3)sc2C1 ZINC000346142739 335380727 /nfs/dbraw/zinc/38/07/27/335380727.db2.gz CDPOSSCZTOMBNR-HUUCEWRRSA-N 0 2 321.534 3.920 20 0 DHADLN CC(C)[NH+]1CCc2nc(C[N@@H+](C)[C@H]3CCC[C@@H](C)C3)sc2C1 ZINC000346142737 335380878 /nfs/dbraw/zinc/38/08/78/335380878.db2.gz CDPOSSCZTOMBNR-CABCVRRESA-N 0 2 321.534 3.920 20 0 DHADLN Fc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccccc2)cc1 ZINC000346305415 335398411 /nfs/dbraw/zinc/39/84/11/335398411.db2.gz IAKRAAXJTVOIDS-UHFFFAOYSA-N 0 2 309.388 3.725 20 0 DHADLN O=S(=O)(Nc1cnccc1-c1ccccc1)c1ccsc1 ZINC000351454026 336036046 /nfs/dbraw/zinc/03/60/46/336036046.db2.gz RBNIFPYCCJJNNF-UHFFFAOYSA-N 0 2 316.407 3.611 20 0 DHADLN O=C(CCc1ccoc1)Nc1cc(Cl)cc(Cl)c1O ZINC000354420223 336470180 /nfs/dbraw/zinc/47/01/80/336470180.db2.gz QAMDPHCXUVPGRY-UHFFFAOYSA-N 0 2 300.141 3.863 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2cccc(C)c2)sc1Cl ZINC000473488669 339386104 /nfs/dbraw/zinc/38/61/04/339386104.db2.gz PWJRQRRCKRNWHY-UHFFFAOYSA-N 0 2 301.820 3.819 20 0 DHADLN CCc1noc(C)c1C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000361576375 336763511 /nfs/dbraw/zinc/76/35/11/336763511.db2.gz GKLUYYDUDNWQIB-UHFFFAOYSA-N 0 2 315.156 3.810 20 0 DHADLN CCSc1cccc(F)c1NC(=O)c1ccc(C(=O)OC)o1 ZINC000362181855 336787022 /nfs/dbraw/zinc/78/70/22/336787022.db2.gz LHTQLFLGNSGFNC-UHFFFAOYSA-N 0 2 323.345 3.570 20 0 DHADLN Cc1ccccc1C1=CCN(C(=O)c2cc(F)c(O)c(F)c2)C1 ZINC000368763513 336851921 /nfs/dbraw/zinc/85/19/21/336851921.db2.gz UHRMLSXBVWVYHL-UHFFFAOYSA-N 0 2 315.319 3.518 20 0 DHADLN O=C(N[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1)C(F)(F)F ZINC000370018899 336875983 /nfs/dbraw/zinc/87/59/83/336875983.db2.gz KFXKUUBTGBUQFV-CZMCAQCFSA-N 0 2 311.225 3.630 20 0 DHADLN C[C@@H]1[C@H](NC(=O)c2cc(F)c(O)c(F)c2)C[C@H]1c1ccccc1 ZINC000375170448 337004999 /nfs/dbraw/zinc/00/49/99/337004999.db2.gz 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O=C(N[C@H]1CCc2ccccc21)c1cc(F)c(O)c(Cl)c1 ZINC000436858858 338290275 /nfs/dbraw/zinc/29/02/75/338290275.db2.gz PZQYZRALXOGHCU-AWEZNQCLSA-N 0 2 305.736 3.602 20 0 DHADLN O=C(N[C@H]1CSc2ccccc21)c1cc(F)c(O)c(Cl)c1 ZINC000436893901 338292324 /nfs/dbraw/zinc/29/23/24/338292324.db2.gz CRWOCDDFAGITBA-LBPRGKRZSA-N 0 2 323.776 3.762 20 0 DHADLN COc1cc(NC(=O)c2cc(F)c(O)c(F)c2)c(C)cc1C ZINC000436929009 338293975 /nfs/dbraw/zinc/29/39/75/338293975.db2.gz SWNFAANCFLNLGA-UHFFFAOYSA-N 0 2 307.296 3.548 20 0 DHADLN CC1(C)C[C@H](NC(=O)c2cc(F)c(O)c(F)c2)c2ccccc21 ZINC000436972121 338296266 /nfs/dbraw/zinc/29/62/66/338296266.db2.gz RHZIMPUKWLOSEQ-HNNXBMFYSA-N 0 2 317.335 3.823 20 0 DHADLN CCc1nc(C)c(NC(=O)c2cc(F)cc(Cl)c2O)s1 ZINC000436992894 338297032 /nfs/dbraw/zinc/29/70/32/338297032.db2.gz XLMHYKFEXSKZOW-UHFFFAOYSA-N 0 2 314.769 3.764 20 0 DHADLN CC[C@H](CC(F)(F)F)NC(=O)c1cc(F)cc(Cl)c1O ZINC000436991201 338297068 /nfs/dbraw/zinc/29/70/68/338297068.db2.gz QSUQLMMTCMJBKM-SSDOTTSWSA-N 0 2 313.678 3.646 20 0 DHADLN C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000436995507 338297180 /nfs/dbraw/zinc/29/71/80/338297180.db2.gz DLUARLVHWUDMBM-VFZGTOFNSA-N 0 2 319.763 3.848 20 0 DHADLN CCc1csc(NS(=O)(=O)c2ccccc2C(C)(C)C)n1 ZINC000437303264 338306702 /nfs/dbraw/zinc/30/67/02/338306702.db2.gz IVJKXXSYWYYWHK-UHFFFAOYSA-N 0 2 324.471 3.804 20 0 DHADLN Cc1ccsc1S(=O)(=O)Nc1nc2ccc(C)cc2s1 ZINC000437403537 338309074 /nfs/dbraw/zinc/30/90/74/338309074.db2.gz KUPLNVAAGHIFMF-UHFFFAOYSA-N 0 2 324.452 3.775 20 0 DHADLN Cc1ccc(NS(=O)(=O)c2cccs2)cc1OC(C)C ZINC000447262122 338547827 /nfs/dbraw/zinc/54/78/27/338547827.db2.gz CQTISCNWVTVPNN-UHFFFAOYSA-N 0 2 311.428 3.645 20 0 DHADLN CC1(C(=O)Nc2cc(Cl)cc(Cl)c2O)CCC(=O)CC1 ZINC000450528855 338689570 /nfs/dbraw/zinc/68/95/70/338689570.db2.gz RGPOCPZGVWWAEE-UHFFFAOYSA-N 0 2 316.184 3.787 20 0 DHADLN CCCc1cnc(NS(=O)(=O)c2sc(C)cc2C)s1 ZINC000450990767 338715952 /nfs/dbraw/zinc/71/59/52/338715952.db2.gz JOPDSVRNOKJIJH-UHFFFAOYSA-N 0 2 316.473 3.575 20 0 DHADLN Cc1csc(S(=O)(=O)Nc2ccccc2OCC2CC2)c1 ZINC000451019848 338717666 /nfs/dbraw/zinc/71/76/66/338717666.db2.gz XKWXWTWKQZNYPC-UHFFFAOYSA-N 0 2 323.439 3.646 20 0 DHADLN O=C(Nc1ccc2cc[nH]c2c1)c1cc(F)c(O)c(Cl)c1 ZINC000194848968 338766506 /nfs/dbraw/zinc/76/65/06/338766506.db2.gz HFQAWNYGDNXAOO-UHFFFAOYSA-N 0 2 304.708 3.918 20 0 DHADLN C[C@@]1(C(=O)Nc2cc(Cl)cc(Cl)c2O)CCCCO1 ZINC000457707070 338975850 /nfs/dbraw/zinc/97/58/50/338975850.db2.gz KFHTXBVLULBSAT-ZDUSSCGKSA-N 0 2 304.173 3.597 20 0 DHADLN CCCc1nsc(NCc2cccc(COC(C)(C)C)c2)n1 ZINC000461781359 339067120 /nfs/dbraw/zinc/06/71/20/339067120.db2.gz SDIDUPUXFPYECL-UHFFFAOYSA-N 0 2 319.474 3.840 20 0 DHADLN CCCc1nsc(NCc2cccc(-c3ccccn3)c2)n1 ZINC000461947700 339069519 /nfs/dbraw/zinc/06/95/19/339069519.db2.gz QDXQWTWVMVHGAG-UHFFFAOYSA-N 0 2 310.426 3.587 20 0 DHADLN CC(C)c1cc(NS(=O)(=O)c2ccccc2C(C)C)no1 ZINC000468901155 339274181 /nfs/dbraw/zinc/27/41/81/339274181.db2.gz JJMQLNXGALZBPV-UHFFFAOYSA-N 0 2 308.403 3.722 20 0 DHADLN CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(C)c(C)c2)[nH]n1 ZINC000470491368 339320881 /nfs/dbraw/zinc/32/08/81/339320881.db2.gz FHPOEXZJHHSNNW-GFCCVEGCSA-N 0 2 321.446 3.731 20 0 DHADLN CC(C)(C)c1nc(=NC(=O)c2ccc3sccc3c2)s[nH]1 ZINC000471699537 339351372 /nfs/dbraw/zinc/35/13/72/339351372.db2.gz ZSZILLQPMXLJKS-UHFFFAOYSA-N 0 2 317.439 3.725 20 0 DHADLN CC[C@@H](C)[C@H](C(=O)Nc1ccc2nn[nH]c2c1)c1ccccc1 ZINC000473612776 339388901 /nfs/dbraw/zinc/38/89/01/339388901.db2.gz ULGLOGFCYVKJMO-PXAZEXFGSA-N 0 2 308.385 3.726 20 0 DHADLN Cc1ccsc1-c1nc(=NC(=O)N[C@H](C)CC(C)C)s[nH]1 ZINC000473835602 339392990 /nfs/dbraw/zinc/39/29/90/339392990.db2.gz JKFVTTNVILBONK-SNVBAGLBSA-N 0 2 324.475 3.553 20 0 DHADLN CCCOCc1ccccc1CNc1nc(CC(C)C)ns1 ZINC000475356031 339448998 /nfs/dbraw/zinc/44/89/98/339448998.db2.gz XSHXANRIRYJYOS-UHFFFAOYSA-N 0 2 319.474 3.697 20 0 DHADLN O=C(/C=C/c1cccnc1)Nc1cc(Cl)cc(Cl)c1O ZINC000492384402 339899188 /nfs/dbraw/zinc/89/91/88/339899188.db2.gz OCOIXAJJCRCGDH-ONEGZZNKSA-N 0 2 309.152 3.746 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DHADLN CO[C@H](C)c1nsc(N[C@H]2CCC[C@@H](c3ccccc3)C2)n1 ZINC000509853027 340281613 /nfs/dbraw/zinc/28/16/13/340281613.db2.gz LNHXXRJINNSZRZ-YUELXQCFSA-N 0 2 317.458 3.806 20 0 DHADLN Cc1cccc([C@@H](NS(=O)(=O)CCC(C)C)C(F)(F)F)c1 ZINC000512453407 340362452 /nfs/dbraw/zinc/36/24/52/340362452.db2.gz HBEKWJCVXHGMSS-CYBMUJFWSA-N 0 2 323.380 3.564 20 0 DHADLN CC(C)(C)c1cccc(NS(=O)(=O)c2cccs2)c1O ZINC000187083195 340517731 /nfs/dbraw/zinc/51/77/31/340517731.db2.gz YFMSPCKLKQRECG-UHFFFAOYSA-N 0 2 311.428 3.552 20 0 DHADLN Cc1ccc(C)c(S(=O)(=O)Nc2nc3ccsc3s2)c1 ZINC000524024425 340645950 /nfs/dbraw/zinc/64/59/50/340645950.db2.gz AVMFMPOLAGXEOR-UHFFFAOYSA-N 0 2 324.452 3.775 20 0 DHADLN Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2O)s1 ZINC000394100316 340706912 /nfs/dbraw/zinc/70/69/12/340706912.db2.gz ZPPPZTTVGBZSDP-UHFFFAOYSA-N 0 2 317.819 3.525 20 0 DHADLN CC[C@@H](C)Oc1cccc(NS(=O)(=O)c2ccccc2F)c1 ZINC000316012372 340677766 /nfs/dbraw/zinc/67/77/66/340677766.db2.gz ZWACKTHCFIFGLW-GFCCVEGCSA-N 0 2 323.389 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314.341 3.823 20 0 DHADLN Cc1cncc(NS(=O)(=O)c2cc(C(C)C)ccc2Cl)c1 ZINC000556304179 341501102 /nfs/dbraw/zinc/50/11/02/341501102.db2.gz NZXBGRKELKOJBZ-UHFFFAOYSA-N 0 2 324.833 3.968 20 0 DHADLN CC(C)N(Cc1ccccn1)C(=O)c1cc(F)cc(Cl)c1O ZINC000566785763 341568021 /nfs/dbraw/zinc/56/80/21/341568021.db2.gz MZYNPNOOFJVPIG-UHFFFAOYSA-N 0 2 322.767 3.631 20 0 DHADLN CC(C)c1cnc(SCc2nc(=O)c3sccc3[nH]2)n1C ZINC000267057205 519852971 /nfs/dbraw/zinc/85/29/71/519852971.db2.gz PUYKLZQAPYWXHI-UHFFFAOYSA-N 0 2 320.443 3.546 20 0 DHADLN CC1CCC(OCC(=O)NC[C@@H]2CCCC(F)(F)C2)CC1 ZINC000337129771 520959773 /nfs/dbraw/zinc/95/97/73/520959773.db2.gz BMQSGPYZEHORQV-ROKHWSDSSA-N 0 2 303.393 3.523 20 0 DHADLN CCS[C@H]1CCC[C@H]1NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000184476076 521732096 /nfs/dbraw/zinc/73/20/96/521732096.db2.gz GYICGZZDSJGKPY-NEPJUHHUSA-N 0 2 317.813 3.589 20 0 DHADLN CCc1nc(CC(=O)N(C)c2ccc(OC(C)C)cc2)cs1 ZINC000191623206 522251033 /nfs/dbraw/zinc/25/10/33/522251033.db2.gz APGCWXJOVMGHCY-UHFFFAOYSA-N 0 2 318.442 3.698 20 0 DHADLN O=C(Nc1c(O)c(Cl)cc(Cl)c1Cl)C1CCOCC1 ZINC000156562763 527093159 /nfs/dbraw/zinc/09/31/59/527093159.db2.gz KCDNAXHGDAPJCV-UHFFFAOYSA-N 0 2 324.591 3.718 20 0 DHADLN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000656765270 599795079 /nfs/dbraw/zinc/79/50/79/599795079.db2.gz JGIXQMKIQJAQTK-UHFFFAOYSA-N 0 2 324.380 3.634 20 0 DHADLN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000656765270 599795081 /nfs/dbraw/zinc/79/50/81/599795081.db2.gz JGIXQMKIQJAQTK-UHFFFAOYSA-N 0 2 324.380 3.634 20 0 DHADLN C[N@H+](Cc1cc(C(=O)[O-])co1)Cc1cccc(Cl)c1Cl ZINC000737454605 599845289 /nfs/dbraw/zinc/84/52/89/599845289.db2.gz WIOORDWGEPHCNI-UHFFFAOYSA-N 0 2 314.168 3.917 20 0 DHADLN C[N@@H+](Cc1cc(C(=O)[O-])co1)Cc1cccc(Cl)c1Cl ZINC000737454605 599845290 /nfs/dbraw/zinc/84/52/90/599845290.db2.gz WIOORDWGEPHCNI-UHFFFAOYSA-N 0 2 314.168 3.917 20 0 DHADLN Cc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C(=O)[O-])c2ccccc2F)o1 ZINC000570219105 601011972 /nfs/dbraw/zinc/01/19/72/601011972.db2.gz GSJGCNMWVFQNPI-GOEBONIOSA-N 0 2 303.333 3.690 20 0 DHADLN Cc1ccc([C@@H]2CCC[N@H+]2[C@@H](C(=O)[O-])c2ccccc2F)o1 ZINC000570219105 601011976 /nfs/dbraw/zinc/01/19/76/601011976.db2.gz GSJGCNMWVFQNPI-GOEBONIOSA-N 0 2 303.333 3.690 20 0 DHADLN C/C(=C\C[N@@H+]1C[C@@H](c2ccccc2Cl)OCC1(C)C)C(=O)[O-] ZINC000825736047 601166483 /nfs/dbraw/zinc/16/64/83/601166483.db2.gz USFULRJDOJTENX-JQVXPOPVSA-N 0 2 323.820 3.523 20 0 DHADLN C/C(=C\C[N@H+]1C[C@@H](c2ccccc2Cl)OCC1(C)C)C(=O)[O-] ZINC000825736047 601166485 /nfs/dbraw/zinc/16/64/85/601166485.db2.gz USFULRJDOJTENX-JQVXPOPVSA-N 0 2 323.820 3.523 20 0 DHADLN C/C(=C\C[N@@H+]1C[C@H](c2ccccc2Cl)OCC1(C)C)C(=O)[O-] ZINC000825736045 601166764 /nfs/dbraw/zinc/16/67/64/601166764.db2.gz USFULRJDOJTENX-INDWDQIESA-N 0 2 323.820 3.523 20 0 DHADLN C/C(=C\C[N@H+]1C[C@H](c2ccccc2Cl)OCC1(C)C)C(=O)[O-] ZINC000825736045 601166766 /nfs/dbraw/zinc/16/67/66/601166766.db2.gz USFULRJDOJTENX-INDWDQIESA-N 0 2 323.820 3.523 20 0 DHADLN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CCc2c(F)ccc(F)c2C1 ZINC000833031873 601659160 /nfs/dbraw/zinc/65/91/60/601659160.db2.gz PKSRZGXXCMGTKI-UHFFFAOYSA-N 0 2 323.364 3.591 20 0 DHADLN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCc2c(F)ccc(F)c2C1 ZINC000833031873 601659162 /nfs/dbraw/zinc/65/91/62/601659162.db2.gz PKSRZGXXCMGTKI-UHFFFAOYSA-N 0 2 323.364 3.591 20 0 DHADLN C[N@H+](Cc1ccc(C(=O)[O-])[nH]1)Cc1cccc(Cl)c1Cl ZINC000833696241 605102328 /nfs/dbraw/zinc/10/23/28/605102328.db2.gz ITFLOZZPWPNMOV-UHFFFAOYSA-N 0 2 313.184 3.652 20 0 DHADLN C[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)Cc1cccc(Cl)c1Cl ZINC000833696241 605102330 /nfs/dbraw/zinc/10/23/30/605102330.db2.gz ITFLOZZPWPNMOV-UHFFFAOYSA-N 0 2 313.184 3.652 20 0 DHADLN C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1cc(C(=O)[O-])ccc1F ZINC000833547176 605829770 /nfs/dbraw/zinc/82/97/70/605829770.db2.gz QUFNRMICCKBMOU-SNVBAGLBSA-N 0 2 323.314 3.995 20 0 DHADLN C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1F ZINC000833547176 605829774 /nfs/dbraw/zinc/82/97/74/605829774.db2.gz QUFNRMICCKBMOU-SNVBAGLBSA-N 0 2 323.314 3.995 20 0 DHADLN C[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1c(F)cccc1Cl ZINC000037918934 957337446 /nfs/dbraw/zinc/33/74/46/957337446.db2.gz GXPRPTGEHUDEMR-UHFFFAOYSA-N 0 2 307.752 3.809 20 0 DHADLN C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1c(F)cccc1Cl ZINC000037918934 957337460 /nfs/dbraw/zinc/33/74/60/957337460.db2.gz GXPRPTGEHUDEMR-UHFFFAOYSA-N 0 2 307.752 3.809 20 0 DHADLN O=C(Nc1cc([N+](=O)[O-])ccc1O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000322978938 1013172142 /nfs/dbraw/zinc/17/21/42/1013172142.db2.gz VDUNWGLIKQXMLA-JHJVBQTASA-N 0 2 318.373 3.845 20 0 DHADLN C[C@@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)[C@@H](C(=O)[O-])C1 ZINC000229296446 960072168 /nfs/dbraw/zinc/07/21/68/960072168.db2.gz PIVGWMHKDHTAEA-ZWNOBZJWSA-N 0 2 322.455 3.557 20 0 DHADLN C[C@@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)[C@@H](C(=O)[O-])C1 ZINC000229296446 960072178 /nfs/dbraw/zinc/07/21/78/960072178.db2.gz PIVGWMHKDHTAEA-ZWNOBZJWSA-N 0 2 322.455 3.557 20 0 DHADLN CC[C@H](C)[N@H+](CC(=O)[O-])Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000236967474 960815931 /nfs/dbraw/zinc/81/59/31/960815931.db2.gz SAAWEYGSUWBOSM-NSHDSACASA-N 0 2 322.792 3.680 20 0 DHADLN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000236967474 960815951 /nfs/dbraw/zinc/81/59/51/960815951.db2.gz SAAWEYGSUWBOSM-NSHDSACASA-N 0 2 322.792 3.680 20 0 DHADLN COc1cccc(S(=O)(=O)Nc2ccccc2C(C)C)c1F ZINC000655553212 1013223583 /nfs/dbraw/zinc/22/35/83/1013223583.db2.gz DVNUBWDIEANCNL-UHFFFAOYSA-N 0 2 323.389 3.759 20 0 DHADLN CC(C)c1nc(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)cs1 ZINC000049277353 1013415834 /nfs/dbraw/zinc/41/58/34/1013415834.db2.gz JSLJWYZISHGRAW-UHFFFAOYSA-N 0 2 304.415 3.597 20 0 DHADLN CC(C)c1nc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)cs1 ZINC000049277353 1013415840 /nfs/dbraw/zinc/41/58/40/1013415840.db2.gz JSLJWYZISHGRAW-UHFFFAOYSA-N 0 2 304.415 3.597 20 0 DHADLN CC[N@H+](Cc1nc2c(s1)C(C)(C)CC(C)(C)C2)[C@@H](C)C(=O)[O-] ZINC000923253673 969647421 /nfs/dbraw/zinc/64/74/21/969647421.db2.gz NUTHUJFUHUANBE-NSHDSACASA-N 0 2 324.490 3.688 20 0 DHADLN CC[N@@H+](Cc1nc2c(s1)C(C)(C)CC(C)(C)C2)[C@@H](C)C(=O)[O-] ZINC000923253673 969647423 /nfs/dbraw/zinc/64/74/23/969647423.db2.gz NUTHUJFUHUANBE-NSHDSACASA-N 0 2 324.490 3.688 20 0 DHADLN C[C@H](C(=O)[O-])[N@H+](Cc1csc(-c2ccsc2)n1)C1CCC1 ZINC000564669342 974551810 /nfs/dbraw/zinc/55/18/10/974551810.db2.gz HLGOQPWTVYDXNZ-SNVBAGLBSA-N 0 2 322.455 3.699 20 0 DHADLN C[C@H](C(=O)[O-])[N@@H+](Cc1csc(-c2ccsc2)n1)C1CCC1 ZINC000564669342 974551817 /nfs/dbraw/zinc/55/18/17/974551817.db2.gz HLGOQPWTVYDXNZ-SNVBAGLBSA-N 0 2 322.455 3.699 20 0 DHADLN C[C@@H](C(=O)[O-])[N@H+](Cc1csc(-c2cccs2)n1)C1CCC1 ZINC000566807585 974622101 /nfs/dbraw/zinc/62/21/01/974622101.db2.gz DUQOKNPLKBFAEI-JTQLQIEISA-N 0 2 322.455 3.699 20 0 DHADLN C[C@@H](C(=O)[O-])[N@@H+](Cc1csc(-c2cccs2)n1)C1CCC1 ZINC000566807585 974622106 /nfs/dbraw/zinc/62/21/06/974622106.db2.gz DUQOKNPLKBFAEI-JTQLQIEISA-N 0 2 322.455 3.699 20 0 DHADLN C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000575065729 974794841 /nfs/dbraw/zinc/79/48/41/974794841.db2.gz XBBDXNDPARBZHZ-HZMBPMFUSA-N 0 2 320.389 3.564 20 0 DHADLN C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000575065729 974794843 /nfs/dbraw/zinc/79/48/43/974794843.db2.gz XBBDXNDPARBZHZ-HZMBPMFUSA-N 0 2 320.389 3.564 20 0 DHADLN COCCCC[C@H](Nc1ccc(C(=O)[O-])c[nH+]1)c1ccccc1 ZINC000647454448 975364951 /nfs/dbraw/zinc/36/49/51/975364951.db2.gz PYLDNXSJEUQHQP-INIZCTEOSA-N 0 2 314.385 3.750 20 0 DHADLN C[C@H]1CCN(C(=O)c2cc(F)c(O)c(F)c2)[C@@H](c2ccco2)C1 ZINC000180102989 1014267966 /nfs/dbraw/zinc/26/79/66/1014267966.db2.gz NGUDZNRHCKYCBN-IINYFYTJSA-N 0 2 321.323 3.877 20 0 DHADLN CC(C)OCc1cccc(-c2cc(C(=O)[O-])cn3cc[nH+]c23)c1 ZINC001591734327 975715256 /nfs/dbraw/zinc/71/52/56/975715256.db2.gz DWGBZDCTIRSBAD-UHFFFAOYSA-N 0 2 310.353 3.625 20 0 DHADLN CC(C)n1c[nH+]cc1CNc1cccc2cc(C(=O)[O-])sc21 ZINC001592145903 977007306 /nfs/dbraw/zinc/00/73/06/977007306.db2.gz ZAKAEDRAKZAZCM-UHFFFAOYSA-N 0 2 315.398 3.989 20 0 DHADLN CC(C)CCc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1 ZINC000521097180 1014643000 /nfs/dbraw/zinc/64/30/00/1014643000.db2.gz BTZTVJNEZDOZLA-UHFFFAOYSA-N 0 2 308.385 3.799 20 0 DHADLN CC(C)CC1(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)CC1 ZINC000443071728 1014799399 /nfs/dbraw/zinc/79/93/99/1014799399.db2.gz OJHZJCFWGWNBHV-UHFFFAOYSA-N 0 2 320.343 3.515 20 0 DHADLN CCC(C)(C)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000521935282 1014840958 /nfs/dbraw/zinc/84/09/58/1014840958.db2.gz LLMVYSKIMIWUMB-UHFFFAOYSA-N 0 2 309.822 3.655 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCc2cc(Cl)ccc2C1 ZINC000191510495 1015088849 /nfs/dbraw/zinc/08/88/49/1015088849.db2.gz SGSQATDYKKLQHV-UHFFFAOYSA-N 0 2 323.726 3.522 20 0 DHADLN CCSCc1cc[nH+]c(NCc2ccc(C(=O)[O-])c(C)c2)c1 ZINC001597266846 987298308 /nfs/dbraw/zinc/29/83/08/987298308.db2.gz BSJLLDVVHQSKRC-UHFFFAOYSA-N 0 2 316.426 3.953 20 0 DHADLN CCc1[nH]c(C[N@H+](C)[C@H](C)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC001597380804 987580360 /nfs/dbraw/zinc/58/03/60/987580360.db2.gz YUVBVZBJBJUIAF-SNVBAGLBSA-N 0 2 322.355 3.747 20 0 DHADLN CCc1[nH]c(C[N@@H+](C)[C@H](C)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC001597380804 987580366 /nfs/dbraw/zinc/58/03/66/987580366.db2.gz YUVBVZBJBJUIAF-SNVBAGLBSA-N 0 2 322.355 3.747 20 0 DHADLN CS[C@H]1CC[C@H]1[NH2+]c1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001599788972 987974679 /nfs/dbraw/zinc/97/46/79/987974679.db2.gz LUJKWDMUFOWDHV-ZBFHGGJFSA-N 0 2 320.458 3.681 20 0 DHADLN C[N@H+](Cc1ccc(F)c(Cl)c1)[C@H](C(=O)[O-])c1ccsc1 ZINC001598517591 992636002 /nfs/dbraw/zinc/63/60/02/992636002.db2.gz OCLAABWAVSZINV-ZDUSSCGKSA-N 0 2 313.781 3.798 20 0 DHADLN C[N@@H+](Cc1ccc(F)c(Cl)c1)[C@H](C(=O)[O-])c1ccsc1 ZINC001598517591 992636006 /nfs/dbraw/zinc/63/60/06/992636006.db2.gz OCLAABWAVSZINV-ZDUSSCGKSA-N 0 2 313.781 3.798 20 0 DHADLN C[N@H+](Cc1ccccc1F)Cc1cc(C(=O)[O-])ccc1Cl ZINC001598530286 992771302 /nfs/dbraw/zinc/77/13/02/992771302.db2.gz SVLCNIUPQMJHCK-UHFFFAOYSA-N 0 2 307.752 3.809 20 0 DHADLN C[N@@H+](Cc1ccccc1F)Cc1cc(C(=O)[O-])ccc1Cl ZINC001598530286 992771308 /nfs/dbraw/zinc/77/13/08/992771308.db2.gz SVLCNIUPQMJHCK-UHFFFAOYSA-N 0 2 307.752 3.809 20 0 DHADLN C[N@H+](Cc1cnc(C(C)(C)C)s1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598533753 992822634 /nfs/dbraw/zinc/82/26/34/992822634.db2.gz WTFUXLXNVYXFJS-CQSZACIVSA-N 0 2 318.442 3.698 20 0 DHADLN C[N@@H+](Cc1cnc(C(C)(C)C)s1)[C@@H](C(=O)[O-])c1ccccc1 ZINC001598533753 992822641 /nfs/dbraw/zinc/82/26/41/992822641.db2.gz WTFUXLXNVYXFJS-CQSZACIVSA-N 0 2 318.442 3.698 20 0 DHADLN CC(C)[C@@H]([NH2+][C@H](C)c1nc(C(=O)[O-])co1)c1ccccc1F ZINC001593208409 994225240 /nfs/dbraw/zinc/22/52/40/994225240.db2.gz BTXJIFZURMHKBU-QMTHXVAHSA-N 0 2 306.337 3.560 20 0 DHADLN C[C@H]([NH2+]C1(c2cccc(Cl)c2)CC1)c1ncc(C(=O)[O-])s1 ZINC001593208827 994230872 /nfs/dbraw/zinc/23/08/72/994230872.db2.gz GQSCPAOQDQWEQB-VIFPVBQESA-N 0 2 322.817 3.835 20 0 DHADLN C[C@@H]([NH2+][C@H](c1ccccc1)c1ccccn1)c1cc(C(=O)[O-])co1 ZINC001593210843 994255636 /nfs/dbraw/zinc/25/56/36/994255636.db2.gz SHFDLKCLVJMIHT-FZKQIMNGSA-N 0 2 322.364 3.813 20 0 DHADLN C[C@H](Nc1ccc(N2CCCC2)[nH+]c1)c1cc(C(=O)[O-])cs1 ZINC001593362832 995034066 /nfs/dbraw/zinc/03/40/66/995034066.db2.gz LVWZICYRONINPH-NSHDSACASA-N 0 2 317.414 3.615 20 0 DHADLN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+](Cc1cccc(F)c1)C1CC1 ZINC001593732385 996311469 /nfs/dbraw/zinc/31/14/69/996311469.db2.gz SUARNMUCBQZYAJ-JTQLQIEISA-N 0 2 320.389 3.706 20 0 DHADLN C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC001593732385 996311475 /nfs/dbraw/zinc/31/14/75/996311475.db2.gz SUARNMUCBQZYAJ-JTQLQIEISA-N 0 2 320.389 3.706 20 0 DHADLN O=C(CCC1CCCC1)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000342169486 1016092759 /nfs/dbraw/zinc/09/27/59/1016092759.db2.gz FYUJSPAZJRAEAV-UHFFFAOYSA-N 0 2 302.353 3.520 20 0 DHADLN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)c1ccccc1F ZINC000342337052 1016283721 /nfs/dbraw/zinc/28/37/21/1016283721.db2.gz ZRVFDUZASMVWTF-UHFFFAOYSA-N 0 2 316.723 3.517 20 0 DHADLN C[C@@H]1C[C@H]1c1ccc(CN(C(=O)C(F)C(F)(F)F)C2CC2)o1 ZINC000277491528 1016410947 /nfs/dbraw/zinc/41/09/47/1016410947.db2.gz RFVNQYUMTDLICO-XTWCZFFVSA-N 0 2 319.298 3.794 20 0 DHADLN C[C@@H]1C[C@H]1c1ccc(CN(C(=O)[C@@H](F)C(F)(F)F)C2CC2)o1 ZINC000277491528 1016410955 /nfs/dbraw/zinc/41/09/55/1016410955.db2.gz RFVNQYUMTDLICO-XTWCZFFVSA-N 0 2 319.298 3.794 20 0 DHADLN Cc1ccc(-c2n[nH]c(NC(=O)c3cc(C)ccc3O)c2C)o1 ZINC000192469796 1016805586 /nfs/dbraw/zinc/80/55/86/1016805586.db2.gz KHJWHNYIRRBZOL-UHFFFAOYSA-N 0 2 311.341 3.553 20 0 DHADLN O=S(=O)(Nc1cc(Cl)ccn1)c1ccc2ccccc2c1 ZINC000122670027 1032569432 /nfs/dbraw/zinc/56/94/32/1032569432.db2.gz CEGPOUNWARFAJP-UHFFFAOYSA-N 0 2 318.785 3.689 20 0 DHADLN CC(C)c1ccc(S(O)=CC(=O)N(C(C)C)C(C)C)cc1 ZINC000108068244 1012338962 /nfs/dbraw/zinc/33/89/62/1012338962.db2.gz RXBXLRFQYIADSX-NRFANRHFSA-N 0 2 309.475 3.563 20 0 DHADLN C[C@H](NC(=O)c1c(O)cc(F)cc1F)C1CCC(F)(F)CC1 ZINC000655340757 1012672065 /nfs/dbraw/zinc/67/20/65/1012672065.db2.gz JFWLMPNRABQLAB-QMMMGPOBSA-N 0 2 319.298 3.614 20 0 DHADLN CC(C)c1ccc(S(O)=CC(=O)NC2CCCCCC2)cc1 ZINC000517430555 1012982775 /nfs/dbraw/zinc/98/27/75/1012982775.db2.gz AZYMVSMKEDGISY-QFIPXVFZSA-N 0 2 321.486 3.757 20 0 DHADLN CCOc1ccc([C@@H]2CCCN2C(=O)C(F)C(F)(F)F)cc1 ZINC000763984629 1017496754 /nfs/dbraw/zinc/49/67/54/1017496754.db2.gz DUCAELJKRPEGGO-QWHCGFSZSA-N 0 2 319.298 3.649 20 0 DHADLN CCOc1ccc([C@@H]2CCCN2C(=O)[C@@H](F)C(F)(F)F)cc1 ZINC000763984629 1017496761 /nfs/dbraw/zinc/49/67/61/1017496761.db2.gz DUCAELJKRPEGGO-QWHCGFSZSA-N 0 2 319.298 3.649 20 0 DHADLN Cc1[nH+]ccn1CCCNc1ccnc2cc(Cl)ccc21 ZINC000078333310 1017595698 /nfs/dbraw/zinc/59/56/98/1017595698.db2.gz LOMFGQOUUZLFGC-UHFFFAOYSA-N 0 2 300.793 3.895 20 0 DHADLN C[C@@H]1CCN(C(=O)c2c(O)cc(F)cc2F)[C@H]2CCCC[C@@H]12 ZINC000674138331 1017866479 /nfs/dbraw/zinc/86/64/79/1017866479.db2.gz ZHCHEXCWGDGUFK-OSMZGAPFSA-N 0 2 309.356 3.711 20 0 DHADLN CCCc1cc(C(=O)N=c2nc(C(C)(C)C)[nH]s2)sc1C ZINC000524318827 1017960095 /nfs/dbraw/zinc/96/00/95/1017960095.db2.gz LXPSPJAIIPHSNS-UHFFFAOYSA-N 0 2 323.487 3.832 20 0 DHADLN O=C(NCC1(c2ccc(F)cc2)CCCC1)C(F)C(F)(F)F ZINC000764314838 1018231760 /nfs/dbraw/zinc/23/17/60/1018231760.db2.gz CWAINKGWEYBLBW-LBPRGKRZSA-N 0 2 321.289 3.654 20 0 DHADLN O=C(NCC1(c2ccc(F)cc2)CCCC1)[C@H](F)C(F)(F)F ZINC000764314838 1018231770 /nfs/dbraw/zinc/23/17/70/1018231770.db2.gz CWAINKGWEYBLBW-LBPRGKRZSA-N 0 2 321.289 3.654 20 0 DHADLN O=C(C(F)C(F)(F)F)N(Cc1ccccc1)CC1CCC1 ZINC000764446605 1018279321 /nfs/dbraw/zinc/27/93/21/1018279321.db2.gz YSIHNTWZGMJCNB-ZDUSSCGKSA-N 0 2 303.299 3.716 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N(Cc1ccccc1)CC1CCC1 ZINC000764446605 1018279342 /nfs/dbraw/zinc/27/93/42/1018279342.db2.gz YSIHNTWZGMJCNB-ZDUSSCGKSA-N 0 2 303.299 3.716 20 0 DHADLN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C(F)C(F)(F)F ZINC000764441575 1018283101 /nfs/dbraw/zinc/28/31/01/1018283101.db2.gz KPHDGSXWNWMRMH-CMPLNLGQSA-N 0 2 305.315 3.759 20 0 DHADLN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)[C@@H](F)C(F)(F)F ZINC000764441575 1018283113 /nfs/dbraw/zinc/28/31/13/1018283113.db2.gz KPHDGSXWNWMRMH-CMPLNLGQSA-N 0 2 305.315 3.759 20 0 DHADLN CSCc1cccc(NS(=O)(=O)c2sccc2C)c1 ZINC000525535407 1018315346 /nfs/dbraw/zinc/31/53/46/1018315346.db2.gz VNPAMEHUOVWJMG-UHFFFAOYSA-N 0 2 313.469 3.720 20 0 DHADLN CCc1ccc(S(=O)(=O)Nc2ccc3ccn(C)c3c2)s1 ZINC000525956900 1018408025 /nfs/dbraw/zinc/40/80/25/1018408025.db2.gz CUANZIYZSZPLCR-UHFFFAOYSA-N 0 2 320.439 3.603 20 0 DHADLN Cc1c2nc(NS(=O)(=O)c3ccccc3)sc2ccc1F ZINC000150978244 1018434817 /nfs/dbraw/zinc/43/48/17/1018434817.db2.gz JWSWGXDIUJWSML-UHFFFAOYSA-N 0 2 322.386 3.545 20 0 DHADLN CC(C)(CC[NH2+][C@@H](c1nnc[nH]1)c1ccccc1)c1ccccc1 ZINC000675680236 1018555192 /nfs/dbraw/zinc/55/51/92/1018555192.db2.gz YYVAJKDVZUPJNS-GOSISDBHSA-N 0 2 320.440 3.852 20 0 DHADLN C[C@H](CNc1nc(-c2ccccc2)ns1)CC(F)(F)F ZINC000413529679 1018663955 /nfs/dbraw/zinc/66/39/55/1018663955.db2.gz IWYUSSCHWXYMNV-VIFPVBQESA-N 0 2 301.337 3.627 20 0 DHADLN C[C@@H](CNc1nc(-c2ccccc2)ns1)CC(F)(F)F ZINC000413529678 1018664254 /nfs/dbraw/zinc/66/42/54/1018664254.db2.gz IWYUSSCHWXYMNV-SECBINFHSA-N 0 2 301.337 3.627 20 0 DHADLN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)C(F)C(F)(F)F ZINC000278549952 1018809083 /nfs/dbraw/zinc/80/90/83/1018809083.db2.gz GNXGQMHJUJURAN-VCDKRKBESA-N 0 2 303.299 3.680 20 0 DHADLN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)[C@@H](F)C(F)(F)F ZINC000278549952 1018809101 /nfs/dbraw/zinc/80/91/01/1018809101.db2.gz GNXGQMHJUJURAN-VCDKRKBESA-N 0 2 303.299 3.680 20 0 DHADLN CCCCCc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1 ZINC000029200554 1018884969 /nfs/dbraw/zinc/88/49/69/1018884969.db2.gz SNPXSZFGNPUZEO-UHFFFAOYSA-N 0 2 308.385 3.943 20 0 DHADLN Cc1nc2cccc(C(=O)Nc3cc(F)cc(Cl)c3O)c2[nH]1 ZINC000338543329 1019168369 /nfs/dbraw/zinc/16/83/69/1019168369.db2.gz NJAZHCXNKKZUFD-UHFFFAOYSA-N 0 2 319.723 3.622 20 0 DHADLN O=C(NC[C@@H]1CCCCC(F)(F)C1)c1cccc(Cl)c1O ZINC001129315192 1019383079 /nfs/dbraw/zinc/38/30/79/1019383079.db2.gz UIJPCDPEESCLLT-SNVBAGLBSA-N 0 2 317.763 3.991 20 0 DHADLN CCOc1ccc(NS(=O)(=O)c2cc(C)c(C)s2)cc1 ZINC000091010516 1019425447 /nfs/dbraw/zinc/42/54/47/1019425447.db2.gz BVWMXJJCLHYION-UHFFFAOYSA-N 0 2 311.428 3.564 20 0 DHADLN [S-]c1cc(Cl)ccc1Nc1ccc[nH+]c1N1CCOCC1 ZINC001212361843 1019481933 /nfs/dbraw/zinc/48/19/33/1019481933.db2.gz BKXRFOOSIXXHOH-UHFFFAOYSA-N 0 2 321.833 3.604 20 0 DHADLN O=C(Nc1ccccc1F)c1cccc(Br)c1O ZINC000139177383 1019626906 /nfs/dbraw/zinc/62/69/06/1019626906.db2.gz HGNXIJKLFYACFB-UHFFFAOYSA-N 0 2 310.122 3.546 20 0 DHADLN CC1(C)CN(C(=O)c2c(O)cc(F)cc2F)[C@@H]1c1cccs1 ZINC000673396781 1019868776 /nfs/dbraw/zinc/86/87/76/1019868776.db2.gz ZOFBDOGPYLCTIT-CQSZACIVSA-N 0 2 323.364 3.955 20 0 DHADLN O=C([O-])C/C(=C\c1[nH]cc[nH+]1)c1nc2cc(Cl)ccc2s1 ZINC000731159421 1020076725 /nfs/dbraw/zinc/07/67/25/1020076725.db2.gz QSSNKSPZNYLCRC-VMPITWQZSA-N 0 2 319.773 3.688 20 0 DHADLN Clc1ccc2nc([C@@H]3CCC[N@H+]3C[C@@H]3CCCCO3)[nH]c2c1 ZINC000347740154 1020276600 /nfs/dbraw/zinc/27/66/00/1020276600.db2.gz ZNALOXIIOIJOCW-BBRMVZONSA-N 0 2 319.836 3.922 20 0 DHADLN Cc1ccc(C[C@@H](C)N(C)C(=O)c2c(O)cc(F)cc2F)cc1 ZINC000132226034 1020526614 /nfs/dbraw/zinc/52/66/14/1020526614.db2.gz LWZDWLHTLCSWBP-GFCCVEGCSA-N 0 2 319.351 3.682 20 0 DHADLN C[C@@H](Nc1[nH+]cccc1C(=O)[O-])c1cccc(OC(F)F)c1 ZINC000613494787 1021002807 /nfs/dbraw/zinc/00/28/07/1021002807.db2.gz MMWCIHYSLWDWQW-SECBINFHSA-N 0 2 308.284 3.554 20 0 DHADLN CC[C@H](C)c1ccc(S(=O)(=O)Nc2cnoc2C2CC2)cc1 ZINC000414379748 1021154974 /nfs/dbraw/zinc/15/49/74/1021154974.db2.gz DOALRBQDIXNSJF-NSHDSACASA-N 0 2 320.414 3.866 20 0 DHADLN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cnoc2C2CC2)cc1 ZINC000414379747 1021155841 /nfs/dbraw/zinc/15/58/41/1021155841.db2.gz DOALRBQDIXNSJF-LLVKDONJSA-N 0 2 320.414 3.866 20 0 DHADLN CN(Cc1ccc(F)cc1)C(=O)c1cc(F)cc(Cl)c1O ZINC000177062725 1021196901 /nfs/dbraw/zinc/19/69/01/1021196901.db2.gz JXKOMOISWYLSRB-UHFFFAOYSA-N 0 2 311.715 3.596 20 0 DHADLN CN(Cc1cc(Cl)cc(Cl)c1)c1[nH+]cccc1C(=O)[O-] ZINC000613558090 1021344094 /nfs/dbraw/zinc/34/40/94/1021344094.db2.gz YBNIDJJSHZXIEI-UHFFFAOYSA-N 0 2 311.168 3.723 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccnc(Cl)c1 ZINC000154685103 1021488872 /nfs/dbraw/zinc/48/88/72/1021488872.db2.gz XEQKXURJUBJBIR-UHFFFAOYSA-N 0 2 317.559 4.000 20 0 DHADLN O=C(c1c(O)cc(F)cc1F)N1CCC[C@@H]1c1cccc(F)c1 ZINC000195307306 1022106653 /nfs/dbraw/zinc/10/66/53/1022106653.db2.gz HXKSZPZAWHDDKQ-CQSZACIVSA-N 0 2 321.298 3.787 20 0 DHADLN O=C(NCc1cc2ccccc2s1)c1c(O)cc(F)cc1F ZINC000620977627 1022481785 /nfs/dbraw/zinc/48/17/85/1022481785.db2.gz ROLOHAOGRQMYEM-UHFFFAOYSA-N 0 2 319.332 3.815 20 0 DHADLN Cc1csc([C@@H](C#N)C(=O)C[C@H](C)c2ccc(F)cc2)n1 ZINC000125054926 1023420132 /nfs/dbraw/zinc/42/01/32/1023420132.db2.gz MJKKVKVKCGFRMD-HZMBPMFUSA-N 0 2 302.374 3.961 20 0 DHADLN CSc1cccnc1-c1noc(-c2cccc(Cl)c2O)n1 ZINC000771477980 1023440255 /nfs/dbraw/zinc/44/02/55/1023440255.db2.gz IRMYGCITEGTNKT-UHFFFAOYSA-N 0 2 319.773 3.880 20 0 DHADLN CCc1ccc(S(=O)(=O)Nc2cccc(SC)c2)s1 ZINC000048652507 1023801509 /nfs/dbraw/zinc/80/15/09/1023801509.db2.gz ILNXZSPVHZEMIJ-UHFFFAOYSA-N 0 2 313.469 3.833 20 0 DHADLN CCN(C(=O)C(F)C(F)(F)F)[C@H](C)c1cccc(OC)c1 ZINC000788127574 1023852732 /nfs/dbraw/zinc/85/27/32/1023852732.db2.gz FVUJOSMIAJFFAA-SKDRFNHKSA-N 0 2 307.287 3.505 20 0 DHADLN CCN(C(=O)[C@H](F)C(F)(F)F)[C@H](C)c1cccc(OC)c1 ZINC000788127574 1023852740 /nfs/dbraw/zinc/85/27/40/1023852740.db2.gz FVUJOSMIAJFFAA-SKDRFNHKSA-N 0 2 307.287 3.505 20 0 DHADLN O=C(N[C@H](c1ccccc1)C1CCCC1)C(F)C(F)(F)F ZINC000788302212 1023868207 /nfs/dbraw/zinc/86/82/07/1023868207.db2.gz LQBFFCDTKWETIY-CHWSQXEVSA-N 0 2 303.299 3.935 20 0 DHADLN O=C(N[C@H](c1ccccc1)C1CCCC1)[C@@H](F)C(F)(F)F ZINC000788302212 1023868214 /nfs/dbraw/zinc/86/82/14/1023868214.db2.gz LQBFFCDTKWETIY-CHWSQXEVSA-N 0 2 303.299 3.935 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2cccc3ocnc32)c(Cl)c1 ZINC000790004924 1024203120 /nfs/dbraw/zinc/20/31/20/1024203120.db2.gz KQYVIEVXUXUXBF-UHFFFAOYSA-N 0 2 322.773 3.590 20 0 DHADLN C[C@H](NC(=O)c1cccc(Cl)c1O)c1ccc(Cl)cn1 ZINC000792448503 1024671343 /nfs/dbraw/zinc/67/13/43/1024671343.db2.gz QKWBHWBGBRLEIZ-QMMMGPOBSA-N 0 2 311.168 3.585 20 0 DHADLN Cc1oncc1NS(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000350276392 1024800600 /nfs/dbraw/zinc/80/06/00/1024800600.db2.gz AVHAXIXVBIKECM-UHFFFAOYSA-N 0 2 322.773 3.590 20 0 DHADLN CC(C)Sc1cccc(Cl)c1C[N@H+](C)[C@@H](C)C(=O)[O-] ZINC000263377552 1024950246 /nfs/dbraw/zinc/95/02/46/1024950246.db2.gz AXXBXDUSCLWBLX-JTQLQIEISA-N 0 2 301.839 3.745 20 0 DHADLN CC(C)Sc1cccc(Cl)c1C[N@@H+](C)[C@@H](C)C(=O)[O-] ZINC000263377552 1024950257 /nfs/dbraw/zinc/95/02/57/1024950257.db2.gz AXXBXDUSCLWBLX-JTQLQIEISA-N 0 2 301.839 3.745 20 0 DHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1ccc2cc[nH]c2n1 ZINC000354612989 1025467444 /nfs/dbraw/zinc/46/74/44/1025467444.db2.gz PWUKGCQQJZXDOW-UHFFFAOYSA-N 0 2 322.151 3.828 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc2cc[nH]c2n1 ZINC000354618253 1025468320 /nfs/dbraw/zinc/46/83/20/1025468320.db2.gz IBCFNBCFYIBMIZ-UHFFFAOYSA-N 0 2 322.151 3.828 20 0 DHADLN O=C(NCCCCc1ccc(Cl)s1)C(F)C(F)(F)F ZINC000291517991 1025585839 /nfs/dbraw/zinc/58/58/39/1025585839.db2.gz IWFNZHRRBKNFBD-VIFPVBQESA-N 0 2 317.735 3.741 20 0 DHADLN O=C(NCCCCc1ccc(Cl)s1)[C@H](F)C(F)(F)F ZINC000291517991 1025585858 /nfs/dbraw/zinc/58/58/58/1025585858.db2.gz IWFNZHRRBKNFBD-VIFPVBQESA-N 0 2 317.735 3.741 20 0 DHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1cn2ccccc2n1 ZINC000355667379 1025805479 /nfs/dbraw/zinc/80/54/79/1025805479.db2.gz PMFGCKFXVGPJDR-UHFFFAOYSA-N 0 2 322.151 3.599 20 0 DHADLN CC[C@](C)(NC(=O)C(F)(F)c1ccc(F)cc1)C(F)(F)F ZINC000747308840 1025821118 /nfs/dbraw/zinc/82/11/18/1025821118.db2.gz VHNNYIHDIUOWCW-NSHDSACASA-N 0 2 313.241 3.765 20 0 DHADLN O=c1cc(-c2ccccc2)[nH]n1Cc1cccc(C(F)(F)F)c1 ZINC000614187143 1025835600 /nfs/dbraw/zinc/83/56/00/1025835600.db2.gz QZRAXUJQXAHTFF-UHFFFAOYSA-N 0 2 318.298 3.842 20 0 DHADLN O=S(=O)(Nc1ccccn1)c1ccccc1-c1ccccc1 ZINC000074006027 1025915079 /nfs/dbraw/zinc/91/50/79/1025915079.db2.gz FHGCFKUJNMXEKQ-UHFFFAOYSA-N 0 2 310.378 3.549 20 0 DHADLN CCCC[C@@H](NC(=O)C(F)C(F)(F)F)c1ccc(OC)cc1 ZINC000810345554 1026751470 /nfs/dbraw/zinc/75/14/70/1026751470.db2.gz XYZJEMWYTISOCF-OLZOCXBDSA-N 0 2 321.314 3.943 20 0 DHADLN CCCC[C@@H](NC(=O)[C@H](F)C(F)(F)F)c1ccc(OC)cc1 ZINC000810345554 1026751479 /nfs/dbraw/zinc/75/14/79/1026751479.db2.gz XYZJEMWYTISOCF-OLZOCXBDSA-N 0 2 321.314 3.943 20 0 DHADLN CCc1ccc([C@H](NC(=O)C(F)C(F)(F)F)C(C)C)cc1 ZINC000810418083 1026757831 /nfs/dbraw/zinc/75/78/31/1026757831.db2.gz OANBLJDDLBYXSS-OLZOCXBDSA-N 0 2 305.315 3.963 20 0 DHADLN CCc1ccc([C@H](NC(=O)[C@H](F)C(F)(F)F)C(C)C)cc1 ZINC000810418083 1026757843 /nfs/dbraw/zinc/75/78/43/1026757843.db2.gz OANBLJDDLBYXSS-OLZOCXBDSA-N 0 2 305.315 3.963 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000810493982 1026769408 /nfs/dbraw/zinc/76/94/08/1026769408.db2.gz KRFVKEMZLMENCX-CHWSQXEVSA-N 0 2 321.289 3.650 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000810493982 1026769413 /nfs/dbraw/zinc/76/94/13/1026769413.db2.gz KRFVKEMZLMENCX-CHWSQXEVSA-N 0 2 321.289 3.650 20 0 DHADLN O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)C(F)C(F)(F)F ZINC000810945942 1026898518 /nfs/dbraw/zinc/89/85/18/1026898518.db2.gz QERWUWRDAUQLPZ-OLZOCXBDSA-N 0 2 319.273 3.778 20 0 DHADLN O=C(N[C@@H]1CC=C(c2ccc(F)cc2)CC1)[C@H](F)C(F)(F)F ZINC000810945942 1026898524 /nfs/dbraw/zinc/89/85/24/1026898524.db2.gz QERWUWRDAUQLPZ-OLZOCXBDSA-N 0 2 319.273 3.778 20 0 DHADLN CC[C@H](CN(CC)C(=O)C(F)C(F)(F)F)c1ccccc1 ZINC000811188933 1026951124 /nfs/dbraw/zinc/95/11/24/1026951124.db2.gz FDPWTMMQPCKVRV-YPMHNXCESA-N 0 2 305.315 3.929 20 0 DHADLN CC[C@H](CN(CC)C(=O)[C@H](F)C(F)(F)F)c1ccccc1 ZINC000811188933 1026951129 /nfs/dbraw/zinc/95/11/29/1026951129.db2.gz FDPWTMMQPCKVRV-YPMHNXCESA-N 0 2 305.315 3.929 20 0 DHADLN O=C(OC[C@@H]1C[C@H]1c1ccccc1)c1cc(F)c(O)c(F)c1 ZINC000812587813 1027335053 /nfs/dbraw/zinc/33/50/53/1027335053.db2.gz MBZKASIYPXXOGX-STQMWFEESA-N 0 2 304.292 3.631 20 0 DHADLN CCC(=O)c1ccc(O)c(NC(=O)c2c(O)cccc2Cl)c1 ZINC000812707046 1027368968 /nfs/dbraw/zinc/36/89/68/1027368968.db2.gz GDUXSLWEMYHHRZ-UHFFFAOYSA-N 0 2 319.744 3.596 20 0 DHADLN Cc1cc(C)c(S(=O)(=O)Nc2ncsc2C(C)C)c(C)c1 ZINC000574838866 1027430479 /nfs/dbraw/zinc/43/04/79/1027430479.db2.gz AHJNVVVSNILIKD-UHFFFAOYSA-N 0 2 324.471 3.993 20 0 DHADLN CC(C)(C)c1nc(=NC[C@H]2CC[C@H](c3ccccc3)O2)s[nH]1 ZINC000575191903 1027461959 /nfs/dbraw/zinc/46/19/59/1027461959.db2.gz PZQQXPFYNLDVQM-ZIAGYGMSSA-N 0 2 317.458 3.590 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@@H](c2ccccc2)CC1 ZINC000365458688 1027952044 /nfs/dbraw/zinc/95/20/44/1027952044.db2.gz KPSIMIPKQCERPG-CHWSQXEVSA-N 0 2 303.299 3.683 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCC[C@@H](c2ccccc2)CC1 ZINC000365458688 1027952054 /nfs/dbraw/zinc/95/20/54/1027952054.db2.gz KPSIMIPKQCERPG-CHWSQXEVSA-N 0 2 303.299 3.683 20 0 DHADLN Cc1cccc([C@H](C)C[NH2+][C@H](c2cccs2)c2nnc[nH]2)c1 ZINC000577873010 1027969846 /nfs/dbraw/zinc/96/98/46/1027969846.db2.gz KBHABGOHFSSCPU-CZUORRHYSA-N 0 2 312.442 3.657 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CC[C@H](Cc2cccc(Cl)c2)C1 ZINC000365640342 1027990100 /nfs/dbraw/zinc/99/01/00/1027990100.db2.gz AZAJHCZYOJIVCG-ZYHUDNBSSA-N 0 2 323.717 3.631 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CC[C@H](Cc2cccc(Cl)c2)C1 ZINC000365640342 1027990110 /nfs/dbraw/zinc/99/01/10/1027990110.db2.gz AZAJHCZYOJIVCG-ZYHUDNBSSA-N 0 2 323.717 3.631 20 0 DHADLN Cc1csc(C(C#N)C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC000048788848 1028246918 /nfs/dbraw/zinc/24/69/18/1028246918.db2.gz VUMMERKFWHNKDJ-MXWKQRLJSA-N 0 2 316.348 3.997 20 0 DHADLN Cc1csc([C@H](C#N)C(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)n1 ZINC000048788848 1028246932 /nfs/dbraw/zinc/24/69/32/1028246932.db2.gz VUMMERKFWHNKDJ-MXWKQRLJSA-N 0 2 316.348 3.997 20 0 DHADLN Cc1cc(C)cc([C@@]2(F)CCN(C(=O)C(F)C(F)(F)F)C2)c1 ZINC000367941943 1028263823 /nfs/dbraw/zinc/26/38/23/1028263823.db2.gz KIEYQKLWOOTIQP-GXTWGEPZSA-N 0 2 321.289 3.601 20 0 DHADLN Cc1cc(C)cc([C@@]2(F)CCN(C(=O)[C@H](F)C(F)(F)F)C2)c1 ZINC000367941943 1028263838 /nfs/dbraw/zinc/26/38/38/1028263838.db2.gz KIEYQKLWOOTIQP-GXTWGEPZSA-N 0 2 321.289 3.601 20 0 DHADLN CC(C)CCc1nc(C[N@H+]([C@H](C)C(=O)[O-])C2CCC2)cs1 ZINC000565727259 1028627338 /nfs/dbraw/zinc/62/73/38/1028627338.db2.gz FRJMLHAHHAWAIR-GFCCVEGCSA-N 0 2 310.463 3.559 20 0 DHADLN CC(C)CCc1nc(C[N@@H+]([C@H](C)C(=O)[O-])C2CCC2)cs1 ZINC000565727259 1028627342 /nfs/dbraw/zinc/62/73/42/1028627342.db2.gz FRJMLHAHHAWAIR-GFCCVEGCSA-N 0 2 310.463 3.559 20 0 DHADLN CC(C)c1ccc2c(c1)CCN(C(=O)C(F)C(F)(F)F)C2 ZINC001135306261 1028674701 /nfs/dbraw/zinc/67/47/01/1028674701.db2.gz UMFOHHTVVPLQHT-ZDUSSCGKSA-N 0 2 303.299 3.595 20 0 DHADLN CC(C)c1ccc2c(c1)CCN(C(=O)[C@H](F)C(F)(F)F)C2 ZINC001135306261 1028674711 /nfs/dbraw/zinc/67/47/11/1028674711.db2.gz UMFOHHTVVPLQHT-ZDUSSCGKSA-N 0 2 303.299 3.595 20 0 DHADLN Cc1oc([C@H](C)[N@H+](C)Cc2ccc(F)cc2F)cc1C(=O)[O-] ZINC000568061986 1029003798 /nfs/dbraw/zinc/00/37/98/1029003798.db2.gz ZCJKIJVXSGXNER-VIFPVBQESA-N 0 2 309.312 3.757 20 0 DHADLN Cc1oc([C@H](C)[N@@H+](C)Cc2ccc(F)cc2F)cc1C(=O)[O-] ZINC000568061986 1029003822 /nfs/dbraw/zinc/00/38/22/1029003822.db2.gz ZCJKIJVXSGXNER-VIFPVBQESA-N 0 2 309.312 3.757 20 0 DHADLN O=C(NC1(Cc2ccc(Cl)cc2)CCC1)C(F)C(F)(F)F ZINC000816811815 1029014586 /nfs/dbraw/zinc/01/45/86/1029014586.db2.gz QVMKSIBNIJPDGN-NSHDSACASA-N 0 2 323.717 3.822 20 0 DHADLN O=C(NC1(Cc2ccc(Cl)cc2)CCC1)[C@H](F)C(F)(F)F ZINC000816811815 1029014604 /nfs/dbraw/zinc/01/46/04/1029014604.db2.gz QVMKSIBNIJPDGN-NSHDSACASA-N 0 2 323.717 3.822 20 0 DHADLN Cc1ccc(C(C)(C)CNC(=O)C(F)C(F)(F)F)c(C)c1 ZINC000816981865 1029048959 /nfs/dbraw/zinc/04/89/59/1029048959.db2.gz DLGBYVVSCVYWAT-LBPRGKRZSA-N 0 2 305.315 3.598 20 0 DHADLN Cc1ccc(C(C)(C)CNC(=O)[C@H](F)C(F)(F)F)c(C)c1 ZINC000816981865 1029048976 /nfs/dbraw/zinc/04/89/76/1029048976.db2.gz 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ZINC000774905776 1037199057 /nfs/dbraw/zinc/19/90/57/1037199057.db2.gz JRBQEHKLZVBZNU-UHFFFAOYSA-N 0 2 309.724 3.754 20 0 DHADLN Cc1cccc(Cc2noc(-c3cccc(Cl)c3O)n2)c1 ZINC000761567186 1037372675 /nfs/dbraw/zinc/37/26/75/1037372675.db2.gz NMWGVTXXTCCMKW-UHFFFAOYSA-N 0 2 300.745 3.995 20 0 DHADLN Oc1c(Cl)nccc1NC(=S)Nc1ccc(F)cc1F ZINC001200923228 1037465588 /nfs/dbraw/zinc/46/55/88/1037465588.db2.gz QZXRKOCOZFDHPQ-UHFFFAOYSA-N 0 2 315.732 3.528 20 0 DHADLN CO[C@H](c1ccc(F)cc1)[C@H](C)N=c1nc(C(C)(C)C)[nH]s1 ZINC000489885385 1037552428 /nfs/dbraw/zinc/55/24/28/1037552428.db2.gz NEGANLOFCALVPH-GWCFXTLKSA-N 0 2 323.437 3.585 20 0 DHADLN O=C(Nc1ccccc1C(F)F)c1ncc(C(F)(F)F)[nH]1 ZINC001188287108 1037867274 /nfs/dbraw/zinc/86/72/74/1037867274.db2.gz DTTJCNVDTARYEX-UHFFFAOYSA-N 0 2 305.206 3.618 20 0 DHADLN O=S(=O)(Nc1cccc2cccc(Cl)c21)c1ccoc1 ZINC001188617323 1037933508 /nfs/dbraw/zinc/93/35/08/1037933508.db2.gz JGYYIPOZOFELEX-UHFFFAOYSA-N 0 2 307.758 3.887 20 0 DHADLN O=C(c1c(O)cc(F)cc1F)N1CCC2(CCCCC2)CC1 ZINC000588228915 1038276637 /nfs/dbraw/zinc/27/66/37/1038276637.db2.gz NVMRJMDQTYGPKO-UHFFFAOYSA-N 0 2 309.356 3.857 20 0 DHADLN CC(C)(Cc1ccc(F)cc1)NC(=O)c1ccc(F)c(F)c1O ZINC001192810105 1038702786 /nfs/dbraw/zinc/70/27/86/1038702786.db2.gz CQEZQNONBYWGCQ-UHFFFAOYSA-N 0 2 323.314 3.561 20 0 DHADLN CCOc1ccc([C@@H](C)NC(=O)c2ccc(F)c(F)c2O)cc1 ZINC001192819415 1038704480 /nfs/dbraw/zinc/70/44/80/1038704480.db2.gz WGLZLUDLLRBONL-SNVBAGLBSA-N 0 2 321.323 3.560 20 0 DHADLN O=C(N[C@@H](c1ccccc1F)C1CC1)c1cc(F)c(O)cc1F ZINC001192875490 1038705195 /nfs/dbraw/zinc/70/51/95/1038705195.db2.gz ADHBDWHKXWNKAT-MRXNPFEDSA-N 0 2 321.298 3.691 20 0 DHADLN Cc1ccc(CN(C)C(=O)c2ccc(O)c(F)c2F)cc1C ZINC001192840344 1038708259 /nfs/dbraw/zinc/70/82/59/1038708259.db2.gz SAPLYXFMDDPSKO-UHFFFAOYSA-N 0 2 305.324 3.559 20 0 DHADLN CC(C)(Cc1ccc(F)cc1)NC(=O)c1cc(F)c(O)cc1F ZINC001192879811 1038716174 /nfs/dbraw/zinc/71/61/74/1038716174.db2.gz OLMWRAYYSOPEEE-UHFFFAOYSA-N 0 2 323.314 3.561 20 0 DHADLN CCc1ccc(S(=O)(=O)Nc2nc3ccsc3s2)cc1 ZINC000605257681 1039643994 /nfs/dbraw/zinc/64/39/94/1039643994.db2.gz BEUJGDIYIVXFNH-UHFFFAOYSA-N 0 2 324.452 3.721 20 0 DHADLN C[C@H](CCC(C)(C)C)NC(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000605920962 1039759779 /nfs/dbraw/zinc/75/97/79/1039759779.db2.gz UCOHRGZUMVWYCV-SNVBAGLBSA-N 0 2 312.483 3.594 20 0 DHADLN CC(C)(C)c1nc(=NC(=O)CC/C=C/c2ccccc2)s[nH]1 ZINC000606188869 1039785137 /nfs/dbraw/zinc/78/51/37/1039785137.db2.gz GQWZCIAXZVEWTF-YRNVUSSQSA-N 0 2 315.442 3.690 20 0 DHADLN C[C@H](SCc1n[nH]c(=O)[nH]1)c1cccc(C(F)(F)F)c1 ZINC000594910290 1039920153 /nfs/dbraw/zinc/92/01/53/1039920153.db2.gz HDXBVGLJIGEAOX-ZETCQYMHSA-N 0 2 303.309 3.524 20 0 DHADLN CC(C)(C)CCCC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000596898292 1040584554 /nfs/dbraw/zinc/58/45/54/1040584554.db2.gz JAKGRTMREKIEKR-UHFFFAOYSA-N 0 2 309.460 3.843 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)s1 ZINC000096659591 185385318 /nfs/dbraw/zinc/38/53/18/185385318.db2.gz ZWAANKGAGBCOLG-UHFFFAOYSA-N 0 2 321.345 3.876 20 0 DHADLN Cc1cccc([C@H]2CCN(C(=O)c3cc(F)c(O)c(F)c3)C2)c1 ZINC000273847360 130176832 /nfs/dbraw/zinc/17/68/32/130176832.db2.gz KRHAFRFPSFDPOG-ZDUSSCGKSA-N 0 2 317.335 3.609 20 0 DHADLN CC(C)c1scnc1NS(=O)(=O)c1cccc(Cl)c1 ZINC000288137958 131314438 /nfs/dbraw/zinc/31/44/38/131314438.db2.gz FNPDYOPMTKLRKO-UHFFFAOYSA-N 0 2 316.835 3.721 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2ncc(Cl)cc2C)c(C)s1 ZINC000292581335 131660322 /nfs/dbraw/zinc/66/03/22/131660322.db2.gz PKEAUNGMVSCDGM-UHFFFAOYSA-N 0 2 316.835 3.523 20 0 DHADLN Cc1ccoc1C[NH2+][C@]1(C(=O)[O-])C[C@@H](C(C)C)c2ccccc21 ZINC000340685945 132153986 /nfs/dbraw/zinc/15/39/86/132153986.db2.gz BFNITSYKHNVKRO-HNAYVOBHSA-N 0 2 313.397 3.801 20 0 DHADLN Cc1ccc(C[NH2+][C@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)o1 ZINC000340693049 132156551 /nfs/dbraw/zinc/15/65/51/132156551.db2.gz XGKZXCROOXHDTL-QFBILLFUSA-N 0 2 313.397 3.801 20 0 DHADLN CCSc1ccccc1C(=O)N[C@H](C)[C@@](C)(OC)C1CC1 ZINC000517224119 331574416 /nfs/dbraw/zinc/57/44/16/331574416.db2.gz WDEWAHPWQGWLIX-SJKOYZFVSA-N 0 2 307.459 3.732 20 0 DHADLN C[C@H]1C[C@H](C)N(C(=O)Nc2cccc(OC(F)(F)F)c2)C1 ZINC000525444831 331574473 /nfs/dbraw/zinc/57/44/73/331574473.db2.gz QCMFZCSMSYCADL-UWVGGRQHSA-N 0 2 302.296 3.847 20 0 DHADLN O=C(CC1CCCCC1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000518281900 332006669 /nfs/dbraw/zinc/00/66/69/332006669.db2.gz LWWYHZXPWQUBBX-UHFFFAOYSA-N 0 2 307.444 3.597 20 0 DHADLN C[C@@H](c1ccco1)N(Cc1nc(=O)c2sccc2[nH]1)C1CC1 ZINC000088549367 332054332 /nfs/dbraw/zinc/05/43/32/332054332.db2.gz LQCXDCTYXHEDHG-JTQLQIEISA-N 0 2 315.398 3.716 20 0 DHADLN CCCc1csc(NS(=O)(=O)Cc2cc(C)cc(C)c2)n1 ZINC000410330192 332112887 /nfs/dbraw/zinc/11/28/87/332112887.db2.gz MBPDROBOPQLQHD-UHFFFAOYSA-N 0 2 324.471 3.654 20 0 DHADLN O=C([O-])[C@H]([NH2+]Cc1ncc(-c2ccccc2)s1)c1ccccc1 ZINC000426789043 332153722 /nfs/dbraw/zinc/15/37/22/332153722.db2.gz RFLUKHAELOMLNB-QGZVFWFLSA-N 0 2 324.405 3.726 20 0 DHADLN O=C([O-])[C@@H]([NH2+]Cc1cc2cc(F)ccc2o1)c1cccs1 ZINC000426817416 332157301 /nfs/dbraw/zinc/15/73/01/332157301.db2.gz ORKXCNGTLJMZBD-AWEZNQCLSA-N 0 2 305.330 3.549 20 0 DHADLN CSC1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CCC1 ZINC000426924751 332160820 /nfs/dbraw/zinc/16/08/20/332160820.db2.gz IACXSHQCQAZUMJ-UHFFFAOYSA-N 0 2 306.214 3.923 20 0 DHADLN CC(C)c1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)co2)cc1 ZINC000559837626 332284310 /nfs/dbraw/zinc/28/43/10/332284310.db2.gz VXVZZAXKTMPTDV-UHFFFAOYSA-N 0 2 322.430 3.896 20 0 DHADLN O=C([O-])c1c(-c2cc(Cl)cc(Cl)c2)[nH+]c2n1CCCC2 ZINC000577651875 332303658 /nfs/dbraw/zinc/30/36/58/332303658.db2.gz UULOUBVPCHMHBO-UHFFFAOYSA-N 0 2 311.168 3.891 20 0 DHADLN CN(Cc1ccccc1Cl)C(=O)c1cc(F)c(O)c(F)c1 ZINC000176942524 332964835 /nfs/dbraw/zinc/96/48/35/332964835.db2.gz WMXBWDHZGHWZKX-UHFFFAOYSA-N 0 2 311.715 3.596 20 0 DHADLN CCc1ccc([C@H](C)NC(=O)c2cc(F)c(O)c(F)c2)cc1 ZINC000176943937 332964944 /nfs/dbraw/zinc/96/49/44/332964944.db2.gz YVACCJUPUKIABN-JTQLQIEISA-N 0 2 305.324 3.724 20 0 DHADLN CN(Cc1ccccc1F)C(=O)c1cc(F)cc(Cl)c1O ZINC000177086755 332971053 /nfs/dbraw/zinc/97/10/53/332971053.db2.gz NPBVGYRQEMLSJB-UHFFFAOYSA-N 0 2 311.715 3.596 20 0 DHADLN O=C(Nc1cccc(C(F)(F)F)c1)c1cc(F)c(O)c(F)c1 ZINC000183292311 333054067 /nfs/dbraw/zinc/05/40/67/333054067.db2.gz QDOGCDIRWRPZJM-UHFFFAOYSA-N 0 2 317.213 3.942 20 0 DHADLN O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(F)c(O)c(Cl)c1 ZINC000184228079 333349678 /nfs/dbraw/zinc/34/96/78/333349678.db2.gz CYDGAJLHKZCERJ-UHFFFAOYSA-N 0 2 323.795 3.883 20 0 DHADLN CCc1ccnc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC000185469443 333370078 /nfs/dbraw/zinc/37/00/78/333370078.db2.gz JWEWIAFVCVLNNQ-UHFFFAOYSA-N 0 2 311.168 3.909 20 0 DHADLN C[C@@H](CNC(=O)c1cc(F)c(O)c(Cl)c1)CC(F)(F)F ZINC000412685717 333784220 /nfs/dbraw/zinc/78/42/20/333784220.db2.gz YKOKQKDEPVGQPK-ZCFIWIBFSA-N 0 2 313.678 3.503 20 0 DHADLN C[C@@H]1SCCN(C(=O)[C@H](F)C(F)(F)F)[C@H]1c1ccccc1 ZINC000294867357 334213747 /nfs/dbraw/zinc/21/37/47/334213747.db2.gz CLGCQVVSXVXQOW-WCQGTBRESA-N 0 2 321.339 3.592 20 0 DHADLN C[C@@H]1SCCN(C(=O)C(F)C(F)(F)F)[C@H]1c1ccccc1 ZINC000294867357 334213748 /nfs/dbraw/zinc/21/37/48/334213748.db2.gz CLGCQVVSXVXQOW-WCQGTBRESA-N 0 2 321.339 3.592 20 0 DHADLN O=C(Nc1cc(Cl)ccc1O)c1cc(-c2ccccc2)n[nH]1 ZINC000111164883 334305488 /nfs/dbraw/zinc/30/54/88/334305488.db2.gz SXDNCPHNPVKAIW-UHFFFAOYSA-N 0 2 313.744 3.688 20 0 DHADLN CC(C)c1cccnc1NS(=O)(=O)c1ccccc1Cl ZINC000443413771 338451086 /nfs/dbraw/zinc/45/10/86/338451086.db2.gz CRGIAGYSZFKFCF-UHFFFAOYSA-N 0 2 310.806 3.659 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2ccccc2OCC(C)C)c(C)o1 ZINC000345096379 335298142 /nfs/dbraw/zinc/29/81/42/335298142.db2.gz TZJPGQXCRLASSB-UHFFFAOYSA-N 0 2 323.414 3.732 20 0 DHADLN Cc1[nH+]ccn1CC[N@H+](Cc1cccc(C)c1)Cc1ccccn1 ZINC000346305407 335398209 /nfs/dbraw/zinc/39/82/09/335398209.db2.gz HZYKTNHAPHAYFO-UHFFFAOYSA-N 0 2 320.440 3.597 20 0 DHADLN Cc1ccccc1C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000346306586 335398374 /nfs/dbraw/zinc/39/83/74/335398374.db2.gz JDHGGUAZAGZORO-UHFFFAOYSA-N 0 2 305.425 3.894 20 0 DHADLN COc1cc(NC(=O)c2cc(F)cc(Cl)c2O)ccc1F ZINC000444881944 338491326 /nfs/dbraw/zinc/49/13/26/338491326.db2.gz IAJAKANBRBFNGM-UHFFFAOYSA-N 0 2 313.687 3.585 20 0 DHADLN O=C(N[C@@H]1CC[C@H]2CCC[C@@H]2C1)c1cc(F)c(F)c(O)c1F ZINC000349155059 335636798 /nfs/dbraw/zinc/63/67/98/335636798.db2.gz VKFXOGRBHUDMSU-OPRDCNLKSA-N 0 2 313.319 3.508 20 0 DHADLN CC(C)Oc1c(Cl)cccc1NS(=O)(=O)c1ccoc1 ZINC000349965778 335714413 /nfs/dbraw/zinc/71/44/13/335714413.db2.gz PGFKESWHIAYCSX-UHFFFAOYSA-N 0 2 315.778 3.521 20 0 DHADLN Cc1sc(/C=C/c2[nH+]ccn2-c2ccccc2)nc1C(=O)[O-] ZINC000352025633 336190024 /nfs/dbraw/zinc/19/00/24/336190024.db2.gz FLBHTMKXXQFISN-BQYQJAHWSA-N 0 2 311.366 3.506 20 0 DHADLN NC(=O)[C@H]1CCCC[C@@H]1Nc1nc(C2CCCCC2)ns1 ZINC000333469797 336204285 /nfs/dbraw/zinc/20/42/85/336204285.db2.gz AQIBFLHAZBUFJM-RYUDHWBXSA-N 0 2 308.451 3.514 20 0 DHADLN O=c1nc([C@H]2CCCO2)[nH]c2cc(-c3ccc(F)cc3)sc21 ZINC000532612189 336257666 /nfs/dbraw/zinc/25/76/66/336257666.db2.gz BKWIYSUCXPFZMQ-GFCCVEGCSA-N 0 2 316.357 3.642 20 0 DHADLN C[C@H]1C(=O)CC[C@@H]1CC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000527002325 336279105 /nfs/dbraw/zinc/27/91/05/336279105.db2.gz AIEAPBITYAECIH-HTQZYQBOSA-N 0 2 316.184 3.643 20 0 DHADLN C[NH+](C)[C@H](CNc1cc[nH+]c(C(C)(C)C)n1)c1ccc(F)cc1 ZINC000301458218 336308089 /nfs/dbraw/zinc/30/80/89/336308089.db2.gz XTMKTLWXJJTOEL-OAHLLOKOSA-N 0 2 316.424 3.628 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1CCCSC1 ZINC000355572172 336514697 /nfs/dbraw/zinc/51/46/97/336514697.db2.gz YSFUXMQRGUZDBI-ZETCQYMHSA-N 0 2 306.214 3.781 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000377911907 337063823 /nfs/dbraw/zinc/06/38/23/337063823.db2.gz WOGQKPXRFYSBLK-WDEREUQCSA-N 0 2 311.225 3.529 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000377911907 337063824 /nfs/dbraw/zinc/06/38/24/337063824.db2.gz WOGQKPXRFYSBLK-WDEREUQCSA-N 0 2 311.225 3.529 20 0 DHADLN CC(C)c1cnc(NC(=O)c2cc(F)c(F)c(O)c2F)s1 ZINC000180077430 337173564 /nfs/dbraw/zinc/17/35/64/337173564.db2.gz WZLCVHWEYSASNS-UHFFFAOYSA-N 0 2 316.304 3.642 20 0 DHADLN C[C@@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)[C@@H]1c1ccccc1 ZINC000180089492 337173695 /nfs/dbraw/zinc/17/36/95/337173695.db2.gz GAIBKXVFOGUHHH-BMIGLBTASA-N 0 2 303.308 3.504 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000183449688 337191811 /nfs/dbraw/zinc/19/18/11/337191811.db2.gz DJXPIJFKAGXGBQ-OAHLLOKOSA-N 0 2 321.298 3.787 20 0 DHADLN O=C(Nc1cccc2[nH]ccc21)c1cc(F)c(F)c(O)c1F ZINC000183537717 337192221 /nfs/dbraw/zinc/19/22/21/337192221.db2.gz MBAWXQCJYVRUKA-UHFFFAOYSA-N 0 2 306.243 3.543 20 0 DHADLN O=C(CCc1ccoc1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000185471192 337205598 /nfs/dbraw/zinc/20/55/98/337205598.db2.gz GTXKHWDVVMYGPF-UHFFFAOYSA-N 0 2 300.141 3.863 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N1CC=C(c2ccccc2)CC1 ZINC000186408628 337255954 /nfs/dbraw/zinc/25/59/54/337255954.db2.gz RMUTVHJRCWDCAR-UHFFFAOYSA-N 0 2 315.319 3.600 20 0 DHADLN Cc1ncc(C(=O)Nc2cc(Cl)cc(Cl)c2O)s1 ZINC000230872372 337275048 /nfs/dbraw/zinc/27/50/48/337275048.db2.gz OGEBFCCQOIXJAH-UHFFFAOYSA-N 0 2 303.170 3.716 20 0 DHADLN CCc1nnc(C2CC[NH+]([C@H](C)c3cc(F)ccc3F)CC2)[nH]1 ZINC000190685276 337289556 /nfs/dbraw/zinc/28/95/56/337289556.db2.gz ARBXAOHIKXHYEX-LLVKDONJSA-N 0 2 320.387 3.586 20 0 DHADLN CCc1n[nH]c(C2CC[NH+]([C@H](C)c3cc(F)ccc3F)CC2)n1 ZINC000190685276 337289557 /nfs/dbraw/zinc/28/95/57/337289557.db2.gz ARBXAOHIKXHYEX-LLVKDONJSA-N 0 2 320.387 3.586 20 0 DHADLN CCc1nc(C2CC[NH+]([C@H](C)c3cc(F)ccc3F)CC2)n[nH]1 ZINC000190685276 337289558 /nfs/dbraw/zinc/28/95/58/337289558.db2.gz ARBXAOHIKXHYEX-LLVKDONJSA-N 0 2 320.387 3.586 20 0 DHADLN O=c1nc(CSc2cc(F)ccc2F)[nH]c2ccsc21 ZINC000026676662 337387190 /nfs/dbraw/zinc/38/71/90/337387190.db2.gz QVXHSVBGYRQTRP-UHFFFAOYSA-N 0 2 310.350 3.555 20 0 DHADLN Cc1cc2cc(NS(=O)(=O)c3ccc(F)cc3F)ccc2[nH]1 ZINC000031721961 337391337 /nfs/dbraw/zinc/39/13/37/337391337.db2.gz HNNIIMUETHHLPB-UHFFFAOYSA-N 0 2 322.336 3.555 20 0 DHADLN O=S(=O)(Nc1ccc2oc(C3CC3)nc2c1)c1cccs1 ZINC000032097156 337391407 /nfs/dbraw/zinc/39/14/07/337391407.db2.gz KZECEXSGSRTOTJ-UHFFFAOYSA-N 0 2 320.395 3.568 20 0 DHADLN CSc1ccc(NS(=O)(=O)c2sc(C)cc2C)cc1 ZINC000431145330 337395770 /nfs/dbraw/zinc/39/57/70/337395770.db2.gz XLKMMMGBORYGIE-UHFFFAOYSA-N 0 2 313.469 3.888 20 0 DHADLN Cc1ccc([C@@H]([NH2+]Cc2coc(-c3ccccc3)n2)C(=O)[O-])cc1 ZINC000426677236 338037786 /nfs/dbraw/zinc/03/77/86/338037786.db2.gz KRGHDYRPXXWAGF-QGZVFWFLSA-N 0 2 322.364 3.566 20 0 DHADLN O=C([O-])[C@@H]([NH2+]Cc1ccccc1Cl)c1c(F)cccc1F ZINC000426740266 338040052 /nfs/dbraw/zinc/04/00/52/338040052.db2.gz AMAZXPSRMOANAF-AWEZNQCLSA-N 0 2 311.715 3.534 20 0 DHADLN CCc1cccc(S(=O)(=O)Nc2nc(C(C)C)cs2)c1 ZINC000435194325 338234476 /nfs/dbraw/zinc/23/44/76/338234476.db2.gz RNYBCDRJBWQVLN-UHFFFAOYSA-N 0 2 310.444 3.630 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)ccn1 ZINC000154735473 338251145 /nfs/dbraw/zinc/25/11/45/338251145.db2.gz NJJPYMYHSZBELN-UHFFFAOYSA-N 0 2 317.559 4.000 20 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/nfs/dbraw/zinc/34/79/70/339347970.db2.gz SIPDYCQUVLNGLH-UHFFFAOYSA-N 0 2 320.439 3.603 20 0 DHADLN CC[C@@H](C)[C@H](C)C(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000472289530 339369003 /nfs/dbraw/zinc/36/90/03/339369003.db2.gz CKKYJJATHMTVJP-SCZZXKLOSA-N 0 2 309.460 3.618 20 0 DHADLN Cc1cccc(F)c1S(=O)(=O)Nc1ccccc1OC(C)C ZINC000479500167 339538277 /nfs/dbraw/zinc/53/82/77/339538277.db2.gz GIXZNNIBURHOBG-UHFFFAOYSA-N 0 2 323.389 3.722 20 0 DHADLN Cc1nc(NS(=O)(=O)c2ccc(CCC(C)C)cc2)oc1C ZINC000481925589 339616943 /nfs/dbraw/zinc/61/69/43/339616943.db2.gz UIWBIMYSHHEICJ-UHFFFAOYSA-N 0 2 322.430 3.681 20 0 DHADLN Cc1ccsc1S(=O)(=O)Nc1ccc(-c2ccc[nH]2)cc1 ZINC000484194913 339682718 /nfs/dbraw/zinc/68/27/18/339682718.db2.gz SXTWAKVGFHUBJU-UHFFFAOYSA-N 0 2 318.423 3.852 20 0 DHADLN CCc1ccccc1S(=O)(=O)Nc1nc2ccccc2s1 ZINC000488560267 339787731 /nfs/dbraw/zinc/78/77/31/339787731.db2.gz ONGNXSHVBNTMLO-UHFFFAOYSA-N 0 2 318.423 3.660 20 0 DHADLN Cc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(OC(C)(C)C)c1 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DHADLN Cc1cccc([C@H]2CCC[N@H+]2Cc2cc(-n3cc[nH+]c3)cs2)n1 ZINC000544351231 341077686 /nfs/dbraw/zinc/07/76/86/341077686.db2.gz QTVKCTNPVCDBCR-GOSISDBHSA-N 0 2 324.453 3.974 20 0 DHADLN CC(C)CC[C@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(C)(C)C ZINC000544721341 341092102 /nfs/dbraw/zinc/09/21/02/341092102.db2.gz JWJJYWOZIDKPTE-QWRGUYRKSA-N 0 2 317.417 3.708 20 0 DHADLN Cc1c(F)cccc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000075082606 341163829 /nfs/dbraw/zinc/16/38/29/341163829.db2.gz ZBLOZLVSJLHWEU-UHFFFAOYSA-N 0 2 317.744 3.727 20 0 DHADLN O=S(=O)(Nc1cccc2cc[nH]c21)c1cccc(Cl)c1F ZINC000548150350 341249599 /nfs/dbraw/zinc/24/95/99/341249599.db2.gz NTTXQYOOFHDRML-UHFFFAOYSA-N 0 2 324.764 3.761 20 0 DHADLN CCS(=O)(=O)Nc1nc(-c2cccc(Cl)c2)c(C)s1 ZINC000551787009 341351364 /nfs/dbraw/zinc/35/13/64/341351364.db2.gz SGDZKKBRSDOOSM-UHFFFAOYSA-N 0 2 316.835 3.534 20 0 DHADLN Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248698368 341384549 /nfs/dbraw/zinc/38/45/49/341384549.db2.gz 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/nfs/dbraw/zinc/88/51/36/341885136.db2.gz XBVXHMGURRMERA-UHFFFAOYSA-N 0 2 306.412 3.601 20 0 DHADLN O=S(=O)(CCCCF)Nc1ncc(C2CCCCC2)s1 ZINC000342456122 518202700 /nfs/dbraw/zinc/20/27/00/518202700.db2.gz WVQNZVKWQSVFLZ-UHFFFAOYSA-N 0 2 320.455 3.682 20 0 DHADLN CC1CCC(OCC(=O)N2CC[C@H]2c2ccccc2F)CC1 ZINC000365562350 520959511 /nfs/dbraw/zinc/95/95/11/520959511.db2.gz HBYXXMQCQBPHII-KVULBXGLSA-N 0 2 305.393 3.694 20 0 DHADLN CC(C)(C)C1=CCN(C(=O)c2cc(F)c(F)c(O)c2F)CC1 ZINC000273290107 534539070 /nfs/dbraw/zinc/53/90/70/534539070.db2.gz CFIOKIMQPLSHDR-UHFFFAOYSA-N 0 2 313.319 3.628 20 0 DHADLN O=C(CC[C@@H]1CCCO1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000130126234 526557984 /nfs/dbraw/zinc/55/79/84/526557984.db2.gz OBDKJQBREZYAMB-VIFPVBQESA-N 0 2 304.173 3.597 20 0 DHADLN CCOC1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CCCC1 ZINC000285841149 535744506 /nfs/dbraw/zinc/74/45/06/535744506.db2.gz PFLCGIMJQFWBDL-UHFFFAOYSA-N 0 2 318.200 3.987 20 0 DHADLN CCC[C@@](C)([NH2+]Cc1ncc(-c2cccc(Cl)c2)o1)C(=O)[O-] ZINC000386527773 600461545 /nfs/dbraw/zinc/46/15/45/600461545.db2.gz WIKNXTWGVRMONA-MRXNPFEDSA-N 0 2 322.792 3.728 20 0 DHADLN CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000236862295 960780582 /nfs/dbraw/zinc/78/05/82/960780582.db2.gz QGCXVUZDYMHEAK-LLVKDONJSA-N 0 2 322.792 3.680 20 0 DHADLN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000236862295 960780599 /nfs/dbraw/zinc/78/05/99/960780599.db2.gz QGCXVUZDYMHEAK-LLVKDONJSA-N 0 2 322.792 3.680 20 0 DHADLN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000300434174 1013241669 /nfs/dbraw/zinc/24/16/69/1013241669.db2.gz FMEATTPGVTZQNU-OUDXYJABSA-N 0 2 318.200 3.697 20 0 DHADLN C[C@@H](Nc1ccc(C(=O)[O-])c[nH+]1)c1nc(C(C)(C)C)cs1 ZINC001345944069 962319032 /nfs/dbraw/zinc/31/90/32/962319032.db2.gz JOHCPXJCHJXQGT-SECBINFHSA-N 0 2 305.403 3.707 20 0 DHADLN CCC[N@H+](CC(=O)[O-])Cc1nc(-c2ccccc2Cl)cs1 ZINC000263563603 962731074 /nfs/dbraw/zinc/73/10/74/962731074.db2.gz DKUOYXLJPGMSIJ-UHFFFAOYSA-N 0 2 324.833 3.760 20 0 DHADLN CCC[N@@H+](CC(=O)[O-])Cc1nc(-c2ccccc2Cl)cs1 ZINC000263563603 962731084 /nfs/dbraw/zinc/73/10/84/962731084.db2.gz DKUOYXLJPGMSIJ-UHFFFAOYSA-N 0 2 324.833 3.760 20 0 DHADLN CC(C)[N@H+](CC(=O)[O-])Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000263574353 962740382 /nfs/dbraw/zinc/74/03/82/962740382.db2.gz NNDGFYZNTNCYAU-UHFFFAOYSA-N 0 2 324.833 3.759 20 0 DHADLN CC(C)[N@@H+](CC(=O)[O-])Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000263574353 962740398 /nfs/dbraw/zinc/74/03/98/962740398.db2.gz NNDGFYZNTNCYAU-UHFFFAOYSA-N 0 2 324.833 3.759 20 0 DHADLN O=C(Nc1cccc(Cl)c1O)c1c[nH]nc1-c1ccsc1 ZINC000188927835 1013903919 /nfs/dbraw/zinc/90/39/19/1013903919.db2.gz JKIQJQKVYKHTRX-UHFFFAOYSA-N 0 2 319.773 3.750 20 0 DHADLN O=C(N[C@@H]1CCc2cc(F)ccc21)c1cccc(Cl)c1O ZINC001125424913 1014043379 /nfs/dbraw/zinc/04/33/79/1014043379.db2.gz IBVYATXJTVOOIM-CQSZACIVSA-N 0 2 305.736 3.602 20 0 DHADLN CC(C)c1cccc2c1CC[N@H+](Cc1ncc(C(=O)[O-])s1)C2 ZINC001591994130 976628499 /nfs/dbraw/zinc/62/84/99/976628499.db2.gz CDGVOJYIHVNQGN-UHFFFAOYSA-N 0 2 316.426 3.523 20 0 DHADLN CC(C)c1cccc2c1CC[N@@H+](Cc1ncc(C(=O)[O-])s1)C2 ZINC001591994130 976628502 /nfs/dbraw/zinc/62/85/02/976628502.db2.gz CDGVOJYIHVNQGN-UHFFFAOYSA-N 0 2 316.426 3.523 20 0 DHADLN O=C(Nc1ccc(-c2ccco2)cc1F)c1ccc2[nH]nnc2c1 ZINC000428087090 1014578794 /nfs/dbraw/zinc/57/87/94/1014578794.db2.gz XRHGGSIADFZFHL-UHFFFAOYSA-N 0 2 322.299 3.609 20 0 DHADLN CCc1oc(C[NH2+]C(C)(C)c2nc(C)c(C)s2)cc1C(=O)[O-] ZINC000902282413 980816239 /nfs/dbraw/zinc/81/62/39/980816239.db2.gz AGMQVPHAMYHIHY-UHFFFAOYSA-N 0 2 322.430 3.638 20 0 DHADLN CC[C@H](C)[C@H](C(=O)[O-])[N@@H+]1CCn2c(cc3c2cccc3Cl)C1 ZINC001594873570 982195073 /nfs/dbraw/zinc/19/50/73/982195073.db2.gz NUCAACNBVSVETE-MEDUHNTESA-N 0 2 320.820 3.610 20 0 DHADLN CC[C@H](C)[C@H](C(=O)[O-])[N@H+]1CCn2c(cc3c2cccc3Cl)C1 ZINC001594873570 982195078 /nfs/dbraw/zinc/19/50/78/982195078.db2.gz NUCAACNBVSVETE-MEDUHNTESA-N 0 2 320.820 3.610 20 0 DHADLN CCCCOc1cccc(CNc2ccc(C(=O)[O-])c[nH+]2)c1 ZINC001595780490 982548712 /nfs/dbraw/zinc/54/87/12/982548712.db2.gz CIQJTUBKAWENCM-UHFFFAOYSA-N 0 2 300.358 3.571 20 0 DHADLN CC1CCC(CC(=O)N=c2nc(-c3ccccc3)[nH]s2)CC1 ZINC000522334682 1015037847 /nfs/dbraw/zinc/03/78/47/1015037847.db2.gz KZWYCFISYJZPAA-UHFFFAOYSA-N 0 2 315.442 3.782 20 0 DHADLN Cc1ccc(F)cc1S(=O)(=O)Nc1nccc(C)c1C1CC1 ZINC000656739118 1015109528 /nfs/dbraw/zinc/10/95/28/1015109528.db2.gz SZSBBSVUNYTKIT-UHFFFAOYSA-N 0 2 320.389 3.516 20 0 DHADLN O=C(/C=C/c1ccc([N+](=O)[O-])c(O)c1)c1csc(Cl)c1 ZINC000188867818 1015112634 /nfs/dbraw/zinc/11/26/34/1015112634.db2.gz YZZCEFVAPPFIHZ-DUXPYHPUSA-N 0 2 309.730 3.911 20 0 DHADLN C[C@H](c1ccccc1F)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000053124879 1015342856 /nfs/dbraw/zinc/34/28/56/1015342856.db2.gz LCMVSRLXMFNIOK-SNVBAGLBSA-N 0 2 317.389 3.729 20 0 DHADLN CCc1ccc(C[NH2+][C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)nc1 ZINC001597530054 988179035 /nfs/dbraw/zinc/17/90/35/988179035.db2.gz BQFSHLLUQFSBOG-XOBRGWDASA-N 0 2 324.424 3.611 20 0 DHADLN CCc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccccc2Cl)s1 ZINC001597530280 988182872 /nfs/dbraw/zinc/18/28/72/988182872.db2.gz UPQXBYHQJWGMOJ-AWEZNQCLSA-N 0 2 309.818 3.879 20 0 DHADLN Cc1ccc(O[C@@H](C)CNC(=O)c2cccc(Cl)c2O)cc1 ZINC001126563977 1015601039 /nfs/dbraw/zinc/60/10/39/1015601039.db2.gz CECBCVDAYUHKSQ-LBPRGKRZSA-N 0 2 319.788 3.551 20 0 DHADLN Cc1ccc(S(O)=CC(=O)N[C@@H](C)CCCC(C)C)c(C)c1 ZINC000341833859 1015762132 /nfs/dbraw/zinc/76/21/32/1015762132.db2.gz LSSWTXHLANVSJM-KSFYIVLOSA-N 0 2 323.502 3.742 20 0 DHADLN C[C@@H]([NH2+]C1(c2ccccc2Cl)CC1)c1ncc(C(=O)[O-])s1 ZINC001593210947 994257064 /nfs/dbraw/zinc/25/70/64/994257064.db2.gz UXSIBYJFTRVXBK-SECBINFHSA-N 0 2 322.817 3.835 20 0 DHADLN C[C@@H]([NH2+]CC(F)(F)c1ccccc1)c1cc(C(=O)[O-])cs1 ZINC001593249938 994481961 /nfs/dbraw/zinc/48/19/61/994481961.db2.gz ZDJVLDRLKSDBFX-SNVBAGLBSA-N 0 2 311.353 3.889 20 0 DHADLN C[C@H]([NH2+]Cc1cc(C(=O)[O-])no1)c1cccc(Cl)c1Cl ZINC001593289369 994661975 /nfs/dbraw/zinc/66/19/75/994661975.db2.gz RGNQKKSMJUHAJS-ZETCQYMHSA-N 0 2 315.156 3.530 20 0 DHADLN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])no1)c1cccc(Cl)c1Cl ZINC001593289368 994662143 /nfs/dbraw/zinc/66/21/43/994662143.db2.gz RGNQKKSMJUHAJS-SSDOTTSWSA-N 0 2 315.156 3.530 20 0 DHADLN C[C@@H](Nc1ccc(C(=O)[O-])c[nH+]1)c1ccc(OC(F)F)cc1 ZINC001593362269 995030865 /nfs/dbraw/zinc/03/08/65/995030865.db2.gz FUGFQJWFDDDTQV-SECBINFHSA-N 0 2 308.284 3.554 20 0 DHADLN C[C@H](c1nc(C(=O)[O-])co1)[N@@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC001593725827 996282554 /nfs/dbraw/zinc/28/25/54/996282554.db2.gz UUARBBRLPADVDY-CJNGLKHVSA-N 0 2 324.380 3.827 20 0 DHADLN C[C@H](c1nc(C(=O)[O-])co1)[N@H+]1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC001593725827 996282557 /nfs/dbraw/zinc/28/25/57/996282557.db2.gz UUARBBRLPADVDY-CJNGLKHVSA-N 0 2 324.380 3.827 20 0 DHADLN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC001593732508 996313362 /nfs/dbraw/zinc/31/33/62/996313362.db2.gz VVOZOHBWUOKBQQ-SNVBAGLBSA-N 0 2 315.398 3.516 20 0 DHADLN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC001593732508 996313366 /nfs/dbraw/zinc/31/33/66/996313366.db2.gz VVOZOHBWUOKBQQ-SNVBAGLBSA-N 0 2 315.398 3.516 20 0 DHADLN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC001593732507 996313763 /nfs/dbraw/zinc/31/37/63/996313763.db2.gz VVOZOHBWUOKBQQ-JTQLQIEISA-N 0 2 315.398 3.516 20 0 DHADLN C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC001593732507 996313767 /nfs/dbraw/zinc/31/37/67/996313767.db2.gz VVOZOHBWUOKBQQ-JTQLQIEISA-N 0 2 315.398 3.516 20 0 DHADLN O=C(N[C@H](c1ccc(F)cc1)C1CCC1)C(F)C(F)(F)F ZINC000277709582 1016965341 /nfs/dbraw/zinc/96/53/41/1016965341.db2.gz OTDBSROYPMXXLI-RYUDHWBXSA-N 0 2 307.262 3.684 20 0 DHADLN O=C(N[C@H](c1ccc(F)cc1)C1CCC1)[C@H](F)C(F)(F)F ZINC000277709582 1016965356 /nfs/dbraw/zinc/96/53/56/1016965356.db2.gz OTDBSROYPMXXLI-RYUDHWBXSA-N 0 2 307.262 3.684 20 0 DHADLN CCC(C)(C)c1ccc(S(=O)(=O)Nc2c(C)noc2C)cc1 ZINC000075081573 1017279483 /nfs/dbraw/zinc/27/94/83/1017279483.db2.gz VBTOGLKSRZTMPL-UHFFFAOYSA-N 0 2 322.430 3.780 20 0 DHADLN CC(C)c1ccc(S(O)=CC(=O)N(C(C)C)C(C)C)cc1 ZINC000108068242 1012337611 /nfs/dbraw/zinc/33/76/11/1012337611.db2.gz RXBXLRFQYIADSX-OAQYLSRUSA-N 0 2 309.475 3.563 20 0 DHADLN O=C(N[C@H]1CCCc2occc21)c1cc(F)cc(Cl)c1O ZINC000436636391 1012759173 /nfs/dbraw/zinc/75/91/73/1012759173.db2.gz QXCVXEIWZBIYBU-LBPRGKRZSA-N 0 2 309.724 3.585 20 0 DHADLN CC[C@H](c1cccc(OC)c1)N(C)C(=O)C(F)C(F)(F)F ZINC000290907541 1012930311 /nfs/dbraw/zinc/93/03/11/1012930311.db2.gz MSQWOHOPZGHDTB-NEPJUHHUSA-N 0 2 307.287 3.505 20 0 DHADLN CC[C@H](c1cccc(OC)c1)N(C)C(=O)[C@H](F)C(F)(F)F ZINC000290907541 1012930326 /nfs/dbraw/zinc/93/03/26/1012930326.db2.gz MSQWOHOPZGHDTB-NEPJUHHUSA-N 0 2 307.287 3.505 20 0 DHADLN CCOc1ccc([C@@H]2CCCN2C(=O)C(F)C(F)(F)F)cc1 ZINC000763984631 1017497205 /nfs/dbraw/zinc/49/72/05/1017497205.db2.gz DUCAELJKRPEGGO-STQMWFEESA-N 0 2 319.298 3.649 20 0 DHADLN CCOc1ccc([C@@H]2CCCN2C(=O)[C@H](F)C(F)(F)F)cc1 ZINC000763984631 1017497211 /nfs/dbraw/zinc/49/72/11/1017497211.db2.gz DUCAELJKRPEGGO-STQMWFEESA-N 0 2 319.298 3.649 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2cccc3ccccc32)c(C)o1 ZINC000182765533 1017952637 /nfs/dbraw/zinc/95/26/37/1017952637.db2.gz WKKVHWOLWNQYFG-UHFFFAOYSA-N 0 2 301.367 3.850 20 0 DHADLN CCCc1cnc(NS(=O)(=O)c2cc(C)sc2C)s1 ZINC000183196426 1018002086 /nfs/dbraw/zinc/00/20/86/1018002086.db2.gz PCATWAHCONZSBJ-UHFFFAOYSA-N 0 2 316.473 3.575 20 0 DHADLN CCSc1ccc(Cl)cc1NC(=O)c1cc(OC)no1 ZINC000183840824 1018045795 /nfs/dbraw/zinc/04/57/95/1018045795.db2.gz PWJIYKHUPOGQSC-UHFFFAOYSA-N 0 2 312.778 3.701 20 0 DHADLN CCCc1ccc(C[NH2+]Cc2nnc(-c3ccc(F)cc3)[nH]2)cc1 ZINC000674759131 1018128605 /nfs/dbraw/zinc/12/86/05/1018128605.db2.gz YXYCJAULWHAJJW-UHFFFAOYSA-N 0 2 324.403 3.853 20 0 DHADLN CCCc1ccc(C[NH2+]Cc2nc(-c3ccc(F)cc3)n[nH]2)cc1 ZINC000674759131 1018128616 /nfs/dbraw/zinc/12/86/16/1018128616.db2.gz YXYCJAULWHAJJW-UHFFFAOYSA-N 0 2 324.403 3.853 20 0 DHADLN O=C(NCC1(c2ccc(F)cc2)CCCC1)C(F)C(F)(F)F ZINC000764314835 1018231721 /nfs/dbraw/zinc/23/17/21/1018231721.db2.gz CWAINKGWEYBLBW-GFCCVEGCSA-N 0 2 321.289 3.654 20 0 DHADLN O=C(NCC1(c2ccc(F)cc2)CCCC1)[C@@H](F)C(F)(F)F ZINC000764314835 1018231737 /nfs/dbraw/zinc/23/17/37/1018231737.db2.gz CWAINKGWEYBLBW-GFCCVEGCSA-N 0 2 321.289 3.654 20 0 DHADLN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(F)C(F)(F)F ZINC000764310308 1018238211 /nfs/dbraw/zinc/23/82/11/1018238211.db2.gz JRBDAPIDMHDJFR-MWLCHTKSSA-N 0 2 307.287 3.618 20 0 DHADLN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@@H](F)C(F)(F)F ZINC000764310308 1018238222 /nfs/dbraw/zinc/23/82/22/1018238222.db2.gz JRBDAPIDMHDJFR-MWLCHTKSSA-N 0 2 307.287 3.618 20 0 DHADLN O=C([O-])c1c(-c2ccc(C(F)(F)F)cc2)[nH+]c2n1CCCC2 ZINC000566494038 1018354988 /nfs/dbraw/zinc/35/49/88/1018354988.db2.gz GKLKLVFZUHJJCT-UHFFFAOYSA-N 0 2 310.275 3.603 20 0 DHADLN CN(Cc1ccccc1Cl)C(=O)c1c(O)cc(F)cc1F ZINC000066041590 1019477855 /nfs/dbraw/zinc/47/78/55/1019477855.db2.gz XPRHPFHJGGQDQQ-UHFFFAOYSA-N 0 2 311.715 3.596 20 0 DHADLN O=C(c1c(O)cc(F)cc1F)N(Cc1cccs1)C1CC1 ZINC000066044271 1019477886 /nfs/dbraw/zinc/47/78/86/1019477886.db2.gz ZMCXTBBKCIUOSI-UHFFFAOYSA-N 0 2 309.337 3.537 20 0 DHADLN CC(C)c1ccc(S(O)=CC(=O)N(C)C2CCCCC2)cc1 ZINC000108067679 1020511950 /nfs/dbraw/zinc/51/19/50/1020511950.db2.gz HASBPWUKJUMTAP-QFIPXVFZSA-N 0 2 321.486 3.709 20 0 DHADLN O=C([O-])c1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)c(F)c1F ZINC001212512320 1020577304 /nfs/dbraw/zinc/57/73/04/1020577304.db2.gz HFOZPJMHFPXSFZ-UHFFFAOYSA-N 0 2 315.279 3.592 20 0 DHADLN Cc1cscc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000161616935 1020739191 /nfs/dbraw/zinc/73/91/91/1020739191.db2.gz ANULFEHNYOLOMB-UHFFFAOYSA-N 0 2 321.345 3.876 20 0 DHADLN CC(C)(C(=O)NO[C@H]1CCCCO1)c1ccc2ccccc2c1 ZINC000742061201 1021090063 /nfs/dbraw/zinc/09/00/63/1021090063.db2.gz YRBDKYYTGMSHGZ-KRWDZBQOSA-N 0 2 313.397 3.692 20 0 DHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2cnoc2C2CC2)cc1 ZINC000414386855 1021167563 /nfs/dbraw/zinc/16/75/63/1021167563.db2.gz VGGLYYANTQFNIR-UHFFFAOYSA-N 0 2 320.414 3.650 20 0 DHADLN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1cc(C2CC2)no1 ZINC000659793434 1021527901 /nfs/dbraw/zinc/52/79/01/1021527901.db2.gz YFGKIDIXPWEYIN-QGZVFWFLSA-N 0 2 314.385 3.590 20 0 DHADLN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cc(C2CC2)no1 ZINC000659793434 1021527906 /nfs/dbraw/zinc/52/79/06/1021527906.db2.gz YFGKIDIXPWEYIN-QGZVFWFLSA-N 0 2 314.385 3.590 20 0 DHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCc2c(F)cccc2C1 ZINC000129738194 1021567617 /nfs/dbraw/zinc/56/76/17/1021567617.db2.gz VXUSWEKCHJYZBM-UHFFFAOYSA-N 0 2 323.726 3.522 20 0 DHADLN C[C@@H](CCNC(=O)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000746343947 1022022786 /nfs/dbraw/zinc/02/27/86/1022022786.db2.gz GGJQUVNNIVAZFR-QMMMGPOBSA-N 0 2 313.241 3.878 20 0 DHADLN Cc1cc(Nc2cc(Cl)c3[nH+]ccn3c2)ccc1C(=O)[O-] ZINC001211652599 1022424801 /nfs/dbraw/zinc/42/48/01/1022424801.db2.gz GXANUNFCIBZVGH-UHFFFAOYSA-N 0 2 301.733 3.738 20 0 DHADLN O=C(NC[C@@H]1CCCc2ccccc21)c1c(O)cc(F)cc1F ZINC000620966009 1022456045 /nfs/dbraw/zinc/45/60/45/1022456045.db2.gz SCYHAXGGXMVRLJ-LBPRGKRZSA-N 0 2 317.335 3.520 20 0 DHADLN CCOc1ccc([C@H](C)NC(=O)c2c(O)cc(F)cc2F)cc1 ZINC000620966312 1022457049 /nfs/dbraw/zinc/45/70/49/1022457049.db2.gz MMIGJZMBTPTOHH-JTQLQIEISA-N 0 2 321.323 3.560 20 0 DHADLN O=C(N[C@H]1CCc2c1cccc2Cl)c1c(O)cc(F)cc1F ZINC000620976374 1022478960 /nfs/dbraw/zinc/47/89/60/1022478960.db2.gz BSOVXRDCEKNTKN-ZDUSSCGKSA-N 0 2 323.726 3.741 20 0 DHADLN Cc1cccc(C)c1[C@H]1CCCN1C(=O)C(F)C(F)(F)F ZINC000855215345 1022600273 /nfs/dbraw/zinc/60/02/73/1022600273.db2.gz UYMYWYJROKGEOI-DGCLKSJQSA-N 0 2 303.299 3.867 20 0 DHADLN Cc1cccc(C)c1[C@H]1CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC000855215345 1022600280 /nfs/dbraw/zinc/60/02/80/1022600280.db2.gz UYMYWYJROKGEOI-DGCLKSJQSA-N 0 2 303.299 3.867 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000855485679 1022641059 /nfs/dbraw/zinc/64/10/59/1022641059.db2.gz GQHYHMDMSFEIIH-MNOVXSKESA-N 0 2 305.271 3.624 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CC2(CCCC2)[C@@H]1c1ccco1 ZINC000855485679 1022641067 /nfs/dbraw/zinc/64/10/67/1022641067.db2.gz GQHYHMDMSFEIIH-MNOVXSKESA-N 0 2 305.271 3.624 20 0 DHADLN O=C(NCc1ccc(Cl)c(Cl)c1)C(F)C(F)(F)F ZINC000855780242 1022694747 /nfs/dbraw/zinc/69/47/47/1022694747.db2.gz DZLVFTDQJHKHIU-QMMMGPOBSA-N 0 2 304.070 3.510 20 0 DHADLN O=C(NCc1ccc(Cl)c(Cl)c1)[C@H](F)C(F)(F)F ZINC000855780242 1022694754 /nfs/dbraw/zinc/69/47/54/1022694754.db2.gz DZLVFTDQJHKHIU-QMMMGPOBSA-N 0 2 304.070 3.510 20 0 DHADLN CCONC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000742042430 1022775126 /nfs/dbraw/zinc/77/51/26/1022775126.db2.gz KIFWMRQBECNVHP-UHFFFAOYSA-N 0 2 315.335 3.975 20 0 DHADLN Cc1cc(C)cc([C@H]([NH2+]Cc2sccc2Cl)C(=O)[O-])c1 ZINC000417566238 1022790065 /nfs/dbraw/zinc/79/00/65/1022790065.db2.gz QQDSQOCMFCZNJC-AWEZNQCLSA-N 0 2 309.818 3.934 20 0 DHADLN CCc1ccc([C@@H]([NH2+]Cc2sccc2Cl)C(=O)[O-])cc1 ZINC000417589086 1022798663 /nfs/dbraw/zinc/79/86/63/1022798663.db2.gz VFRCTCIFBGCLSO-CQSZACIVSA-N 0 2 309.818 3.879 20 0 DHADLN CC[C@H](C)N(CC)C(=O)c1cc(Br)c(F)cc1O ZINC000616975609 1022813863 /nfs/dbraw/zinc/81/38/63/1022813863.db2.gz GCRGHMJMFGSLMP-QMMMGPOBSA-N 0 2 318.186 3.554 20 0 DHADLN O=C(Nc1cn[nH]c1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000622306063 1023101132 /nfs/dbraw/zinc/10/11/32/1023101132.db2.gz KWIHTACJDUQUIE-UHFFFAOYSA-N 0 2 313.744 3.688 20 0 DHADLN O=C(N[C@H]1CCCc2c3cc(Cl)ccc3[nH]c21)C(F)(F)F ZINC000859369607 1033131724 /nfs/dbraw/zinc/13/17/24/1033131724.db2.gz IJWSLCACICAOTA-NSHDSACASA-N 0 2 316.710 3.877 20 0 DHADLN C[C@H]1CC[C@@H](C(=O)[O-])CN1c1cc[nH+]c2cc(F)c(Cl)cc21 ZINC000662893175 1023652989 /nfs/dbraw/zinc/65/29/89/1023652989.db2.gz JAGBMRMYVXZKTC-VHSXEESVSA-N 0 2 322.767 3.717 20 0 DHADLN Cc1cc(C)cc(NS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000048653008 1023801539 /nfs/dbraw/zinc/80/15/39/1023801539.db2.gz YBNUNLJKKKSMLJ-UHFFFAOYSA-N 0 2 313.781 3.897 20 0 DHADLN CC(C)CCC[C@H](C)[NH+]1CCn2c(C[N@H+](C)C(C)C)cnc2C1 ZINC001170080586 1023837787 /nfs/dbraw/zinc/83/77/87/1023837787.db2.gz KWNGCVARVGJPSR-KRWDZBQOSA-N 0 2 320.525 3.754 20 0 DHADLN CCC[C@@H](NC(=O)C(F)C(F)(F)F)c1ccc(F)cc1F ZINC000788303467 1023867993 /nfs/dbraw/zinc/86/79/93/1023867993.db2.gz FLTGQVXHRDPFBN-MNOVXSKESA-N 0 2 313.241 3.823 20 0 DHADLN CCC[C@@H](NC(=O)[C@H](F)C(F)(F)F)c1ccc(F)cc1F ZINC000788303467 1023868001 /nfs/dbraw/zinc/86/80/01/1023868001.db2.gz FLTGQVXHRDPFBN-MNOVXSKESA-N 0 2 313.241 3.823 20 0 DHADLN CC[N@H+](Cc1nc(-c2ccccc2Cl)cs1)[C@H](C)C(=O)[O-] ZINC000662218225 1023990981 /nfs/dbraw/zinc/99/09/81/1023990981.db2.gz YYCULDSFYXXZJV-SNVBAGLBSA-N 0 2 324.833 3.759 20 0 DHADLN CC[N@@H+](Cc1nc(-c2ccccc2Cl)cs1)[C@H](C)C(=O)[O-] ZINC000662218225 1023990994 /nfs/dbraw/zinc/99/09/94/1023990994.db2.gz YYCULDSFYXXZJV-SNVBAGLBSA-N 0 2 324.833 3.759 20 0 DHADLN Cc1cccc([C@@H]2CC[N@@H+](Cc3ncc(C[NH+](C)C)s3)C2)c1 ZINC000348226752 1024451706 /nfs/dbraw/zinc/45/17/06/1024451706.db2.gz DDOVLVPYKQDHML-MRXNPFEDSA-N 0 2 315.486 3.503 20 0 DHADLN O=S(=O)(Nc1ncc(-c2ccccc2)s1)c1ccccc1 ZINC000071565100 1024459980 /nfs/dbraw/zinc/45/99/80/1024459980.db2.gz KNWQPDMOLYVDIU-UHFFFAOYSA-N 0 2 316.407 3.611 20 0 DHADLN COc1cc(C[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)ccc1C ZINC000194203705 1024616540 /nfs/dbraw/zinc/61/65/40/1024616540.db2.gz LSKGSNZTHXBBBG-UHFFFAOYSA-N 0 2 321.424 3.538 20 0 DHADLN CC(C)Cn1ccc2cc(NS(=O)(=O)c3ccoc3)ccc21 ZINC000350015047 1024782988 /nfs/dbraw/zinc/78/29/88/1024782988.db2.gz KNEBTLXTYADCHF-UHFFFAOYSA-N 0 2 318.398 3.691 20 0 DHADLN CCc1onc(C)c1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000134761399 1033240947 /nfs/dbraw/zinc/24/09/47/1033240947.db2.gz WATYYUQMOKNVBB-UHFFFAOYSA-N 0 2 322.430 3.644 20 0 DHADLN CCc1onc(C)c1NS(=O)(=O)c1csc2ccccc12 ZINC000350895284 1024863939 /nfs/dbraw/zinc/86/39/39/1024863939.db2.gz KJGADARCTYXHKJ-UHFFFAOYSA-N 0 2 322.411 3.561 20 0 DHADLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1sccc1Cl ZINC000353148518 1024964292 /nfs/dbraw/zinc/96/42/92/1024964292.db2.gz DTGRDGTZXNSHHE-UHFFFAOYSA-N 0 2 322.752 3.578 20 0 DHADLN Cc1sc(CC(=O)NOCc2ccc(F)cc2)nc1C(C)C ZINC000279781909 1025261602 /nfs/dbraw/zinc/26/16/02/1025261602.db2.gz RBJXESRYEIETEX-UHFFFAOYSA-N 0 2 322.405 3.505 20 0 DHADLN Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1 ZINC000123723062 1025393969 /nfs/dbraw/zinc/39/39/69/1025393969.db2.gz VHSWCXOULFUHJK-AWEZNQCLSA-N 0 2 303.837 3.528 20 0 DHADLN C[C@H]1C[C@@H](c2ccccc2)N(C(=O)c2c(O)cc(F)cc2F)C1 ZINC000804785114 1025480913 /nfs/dbraw/zinc/48/09/13/1025480913.db2.gz YINVZQXZICRXGI-NHYWBVRUSA-N 0 2 317.335 3.894 20 0 DHADLN Cc1ccccc1S(O)=CC(=O)NCCCC1CCCCC1 ZINC000356015441 1025920353 /nfs/dbraw/zinc/92/03/53/1025920353.db2.gz SFFCHGGILNAWAR-JOCHJYFZSA-N 0 2 321.486 3.579 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000289641767 1026110120 /nfs/dbraw/zinc/11/01/20/1026110120.db2.gz CLNCCWPLZLMNSL-CYBMUJFWSA-N 0 2 321.289 3.507 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000289641767 1026110131 /nfs/dbraw/zinc/11/01/31/1026110131.db2.gz CLNCCWPLZLMNSL-CYBMUJFWSA-N 0 2 321.289 3.507 20 0 DHADLN O=C(NCCc1ccc(Cl)cc1Cl)C(F)C(F)(F)F ZINC000809944465 1026643159 /nfs/dbraw/zinc/64/31/59/1026643159.db2.gz XCAAMHAXUDYDCR-VIFPVBQESA-N 0 2 318.097 3.553 20 0 DHADLN O=C(NCCc1ccc(Cl)cc1Cl)[C@H](F)C(F)(F)F ZINC000809944465 1026643168 /nfs/dbraw/zinc/64/31/68/1026643168.db2.gz XCAAMHAXUDYDCR-VIFPVBQESA-N 0 2 318.097 3.553 20 0 DHADLN CCCC[C@@H](NC(=O)C(F)C(F)(F)F)c1ccc(OC)cc1 ZINC000810345552 1026752194 /nfs/dbraw/zinc/75/21/94/1026752194.db2.gz XYZJEMWYTISOCF-CHWSQXEVSA-N 0 2 321.314 3.943 20 0 DHADLN CCCC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)c1ccc(OC)cc1 ZINC000810345552 1026752206 /nfs/dbraw/zinc/75/22/06/1026752206.db2.gz XYZJEMWYTISOCF-CHWSQXEVSA-N 0 2 321.314 3.943 20 0 DHADLN CC(C)CN(Cc1ccccc1F)C(=O)C(F)C(F)(F)F ZINC000810422990 1026758617 /nfs/dbraw/zinc/75/86/17/1026758617.db2.gz IJIIJOHIZYWGJT-LBPRGKRZSA-N 0 2 309.278 3.711 20 0 DHADLN CC(C)CN(Cc1ccccc1F)C(=O)[C@H](F)C(F)(F)F ZINC000810422990 1026758626 /nfs/dbraw/zinc/75/86/26/1026758626.db2.gz IJIIJOHIZYWGJT-LBPRGKRZSA-N 0 2 309.278 3.711 20 0 DHADLN CC[C@@H](Cc1ccccc1)N(CC)C(=O)C(F)C(F)(F)F ZINC000810553723 1026780816 /nfs/dbraw/zinc/78/08/16/1026780816.db2.gz KYLPIQJIQIOPCE-STQMWFEESA-N 0 2 305.315 3.757 20 0 DHADLN CC[C@@H](Cc1ccccc1)N(CC)C(=O)[C@H](F)C(F)(F)F ZINC000810553723 1026780826 /nfs/dbraw/zinc/78/08/26/1026780826.db2.gz KYLPIQJIQIOPCE-STQMWFEESA-N 0 2 305.315 3.757 20 0 DHADLN CC(C)c1ccc(C[C@@H](C)NC(=O)C(F)C(F)(F)F)cc1 ZINC000810824725 1026860433 /nfs/dbraw/zinc/86/04/33/1026860433.db2.gz FCRKSSDNVNPFGZ-MFKMUULPSA-N 0 2 305.315 3.758 20 0 DHADLN CC(C)c1ccc(C[C@@H](C)NC(=O)[C@H](F)C(F)(F)F)cc1 ZINC000810824725 1026860443 /nfs/dbraw/zinc/86/04/43/1026860443.db2.gz FCRKSSDNVNPFGZ-MFKMUULPSA-N 0 2 305.315 3.758 20 0 DHADLN C[C@]1(c2ccccc2)CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000811523407 1027019587 /nfs/dbraw/zinc/01/95/87/1027019587.db2.gz WXGJBBWKUSKBPJ-HIFRSBDPSA-N 0 2 317.326 3.857 20 0 DHADLN C[C@]1(c2ccccc2)CCCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000811523407 1027019595 /nfs/dbraw/zinc/01/95/95/1027019595.db2.gz WXGJBBWKUSKBPJ-HIFRSBDPSA-N 0 2 317.326 3.857 20 0 DHADLN CC(C)c1ccc(O[C@H](C)CNC(=O)C(F)C(F)(F)F)cc1 ZINC000811526566 1027021412 /nfs/dbraw/zinc/02/14/12/1027021412.db2.gz CULZCROCNACJCD-MFKMUULPSA-N 0 2 321.314 3.594 20 0 DHADLN CC(C)c1ccc(O[C@H](C)CNC(=O)[C@H](F)C(F)(F)F)cc1 ZINC000811526566 1027021417 /nfs/dbraw/zinc/02/14/17/1027021417.db2.gz CULZCROCNACJCD-MFKMUULPSA-N 0 2 321.314 3.594 20 0 DHADLN Cc1ccc(/C=C\S(=O)(=O)Nc2cc(C(C)C)on2)cc1 ZINC000747856211 1027658281 /nfs/dbraw/zinc/65/82/81/1027658281.db2.gz BZHSELKENRCRQS-HJWRWDBZSA-N 0 2 306.387 3.519 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@H](c2ccccc2)CC1 ZINC000365458699 1027951086 /nfs/dbraw/zinc/95/10/86/1027951086.db2.gz KPSIMIPKQCERPG-STQMWFEESA-N 0 2 303.299 3.683 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CCC[C@H](c2ccccc2)CC1 ZINC000365458699 1027951103 /nfs/dbraw/zinc/95/11/03/1027951103.db2.gz KPSIMIPKQCERPG-STQMWFEESA-N 0 2 303.299 3.683 20 0 DHADLN Cc1ccccc1-c1nsc(NCCC[C@H]2CCCCO2)n1 ZINC000527964695 1028007262 /nfs/dbraw/zinc/00/72/62/1028007262.db2.gz XWLADFDCJDJNQC-CQSZACIVSA-N 0 2 317.458 3.697 20 0 DHADLN Cc1cc(C)cc([C@]2(F)CCN(C(=O)C(F)C(F)(F)F)C2)c1 ZINC000367941944 1028263357 /nfs/dbraw/zinc/26/33/57/1028263357.db2.gz KIEYQKLWOOTIQP-JSGCOSHPSA-N 0 2 321.289 3.601 20 0 DHADLN Cc1cc(C)cc([C@]2(F)CCN(C(=O)[C@H](F)C(F)(F)F)C2)c1 ZINC000367941944 1028263374 /nfs/dbraw/zinc/26/33/74/1028263374.db2.gz KIEYQKLWOOTIQP-JSGCOSHPSA-N 0 2 321.289 3.601 20 0 DHADLN O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)C(F)C(F)(F)F ZINC000368219193 1028320790 /nfs/dbraw/zinc/32/07/90/1028320790.db2.gz AIWLWWYLAKZBTF-LSJOCFKGSA-N 0 2 309.690 3.603 20 0 DHADLN O=C(N[C@H]1C[C@H](c2cccc(Cl)c2)C1)[C@H](F)C(F)(F)F ZINC000368219193 1028320805 /nfs/dbraw/zinc/32/08/05/1028320805.db2.gz AIWLWWYLAKZBTF-LSJOCFKGSA-N 0 2 309.690 3.603 20 0 DHADLN O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)[C@H](F)C(F)(F)F ZINC000815108358 1028382546 /nfs/dbraw/zinc/38/25/46/1028382546.db2.gz IDUBOYRSYBRNIT-XQQFMLRXSA-N 0 2 303.299 3.729 20 0 DHADLN O=C(N[C@@H]1CCCC[C@H]1c1ccccc1)C(F)C(F)(F)F ZINC000815108358 1028382532 /nfs/dbraw/zinc/38/25/32/1028382532.db2.gz IDUBOYRSYBRNIT-XQQFMLRXSA-N 0 2 303.299 3.729 20 0 DHADLN Cc1csc(C(C#N)C(=O)[C@]2(C)CCc3ccccc3C2)n1 ZINC000076764178 1028714220 /nfs/dbraw/zinc/71/42/20/1028714220.db2.gz KJQKAFVCTXIQPL-CRAIPNDOSA-N 0 2 310.422 3.823 20 0 DHADLN Cc1csc([C@H](C#N)C(=O)[C@]2(C)CCc3ccccc3C2)n1 ZINC000076764178 1028714230 /nfs/dbraw/zinc/71/42/30/1028714230.db2.gz KJQKAFVCTXIQPL-CRAIPNDOSA-N 0 2 310.422 3.823 20 0 DHADLN Cc1cc(C)cc(OCC(=O)[C@@H](C#N)c2nc3ccccc3o2)c1 ZINC000041545619 1028749139 /nfs/dbraw/zinc/74/91/39/1028749139.db2.gz QTQGETVNBDKEHD-OAHLLOKOSA-N 0 2 320.348 3.700 20 0 DHADLN N#CC(C(=O)CCc1ccccc1F)c1nc2ccccc2o1 ZINC000041544548 1028749316 /nfs/dbraw/zinc/74/93/16/1028749316.db2.gz KTOCBGYZZLXWSX-ZDUSSCGKSA-N 0 2 308.312 3.776 20 0 DHADLN CC(C)c1nnc(NC(=O)c2snc(Cl)c2Cl)s1 ZINC000816843247 1029023202 /nfs/dbraw/zinc/02/32/02/1029023202.db2.gz UTQFJFPBFCCYGM-UHFFFAOYSA-N 0 2 323.230 3.677 20 0 DHADLN C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2O)C[C@@H](C)C1(F)F ZINC000628398341 1029035315 /nfs/dbraw/zinc/03/53/15/1029035315.db2.gz PYFGAZAIXXMNHA-HTQZYQBOSA-N 0 2 321.726 3.548 20 0 DHADLN O=C(NOCCC(F)(F)F)C1(c2cccc(Cl)c2)CCC1 ZINC000779324499 1029096102 /nfs/dbraw/zinc/09/61/02/1029096102.db2.gz CUWIACVAXBPACL-UHFFFAOYSA-N 0 2 321.726 3.762 20 0 DHADLN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1nc(C2CC2)cs1 ZINC000191350849 1029385302 /nfs/dbraw/zinc/38/53/02/1029385302.db2.gz QLMYWFZPHGYFCZ-UHFFFAOYSA-N 0 2 312.797 3.808 20 0 DHADLN O=C(Nc1ccc([C@H]2CCOC2)cc1)c1cccc(Cl)c1O ZINC000818737697 1029426776 /nfs/dbraw/zinc/42/67/76/1029426776.db2.gz HBWUEXSSMJEZMM-LBPRGKRZSA-N 0 2 317.772 3.802 20 0 DHADLN Cc1[nH+]ccn1CCCC[N@H+]1CCc2c(Cl)cc(F)cc2C1 ZINC000451164922 1029809459 /nfs/dbraw/zinc/80/94/59/1029809459.db2.gz SZBDUAJLFXEYSC-UHFFFAOYSA-N 0 2 321.827 3.823 20 0 DHADLN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)C(F)C(F)(F)F)C2)cc1 ZINC000290307865 1029991483 /nfs/dbraw/zinc/99/14/83/1029991483.db2.gz ACEIFZWAINOVFR-RAIGVLPGSA-N 0 2 303.299 3.600 20 0 DHADLN Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)[C@@H](F)C(F)(F)F)C2)cc1 ZINC000290307865 1029991496 /nfs/dbraw/zinc/99/14/96/1029991496.db2.gz ACEIFZWAINOVFR-RAIGVLPGSA-N 0 2 303.299 3.600 20 0 DHADLN Cc1ccccc1S(=O)(=O)Nc1ncccc1-c1ccccc1 ZINC000557092354 1030026973 /nfs/dbraw/zinc/02/69/73/1030026973.db2.gz LOOTZMFBAJZNJX-UHFFFAOYSA-N 0 2 324.405 3.858 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000290818592 1030208512 /nfs/dbraw/zinc/20/85/12/1030208512.db2.gz GWDDOCQDRRQDNV-LBPRGKRZSA-N 0 2 321.701 3.856 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CC=C(c2cccc(Cl)c2)CC1 ZINC000290818592 1030208528 /nfs/dbraw/zinc/20/85/28/1030208528.db2.gz GWDDOCQDRRQDNV-LBPRGKRZSA-N 0 2 321.701 3.856 20 0 DHADLN Cc1cccc(NS(=O)(=O)c2cc(F)c(F)cc2F)c1C ZINC000105589372 1030595931 /nfs/dbraw/zinc/59/59/31/1030595931.db2.gz ZJOLSGDGXBQPLB-UHFFFAOYSA-N 0 2 315.316 3.522 20 0 DHADLN Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)c3cccc(Cl)c3F)C2)[nH]1 ZINC000359914701 1031195831 /nfs/dbraw/zinc/19/58/31/1031195831.db2.gz ZGISBDCPRGVAII-JQWIXIFHSA-N 0 2 322.815 3.846 20 0 DHADLN Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)c3cccc(Cl)c3F)C2)[nH]1 ZINC000359914701 1031195841 /nfs/dbraw/zinc/19/58/41/1031195841.db2.gz ZGISBDCPRGVAII-JQWIXIFHSA-N 0 2 322.815 3.846 20 0 DHADLN Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H](C)c3cccc(Cl)c3F)C2)n1 ZINC000359914701 1031195846 /nfs/dbraw/zinc/19/58/46/1031195846.db2.gz ZGISBDCPRGVAII-JQWIXIFHSA-N 0 2 322.815 3.846 20 0 DHADLN CCOc1ccc(CN(C(=O)C(F)C(F)(F)F)C(C)C)cc1 ZINC000292850597 1031216116 /nfs/dbraw/zinc/21/61/16/1031216116.db2.gz BTTLMZCSZGMHHR-ZDUSSCGKSA-N 0 2 321.314 3.723 20 0 DHADLN CCOc1ccc(CN(C(=O)[C@H](F)C(F)(F)F)C(C)C)cc1 ZINC000292850597 1031216124 /nfs/dbraw/zinc/21/61/24/1031216124.db2.gz BTTLMZCSZGMHHR-ZDUSSCGKSA-N 0 2 321.314 3.723 20 0 DHADLN O=S(=O)(Nc1ccsc1)c1cc(Cl)sc1Cl ZINC000360231507 1031339114 /nfs/dbraw/zinc/33/91/14/1031339114.db2.gz SPDIVTGFOFKXOS-UHFFFAOYSA-N 0 2 314.240 3.917 20 0 DHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1cccc2nccn21 ZINC000760426869 1031708891 /nfs/dbraw/zinc/70/88/91/1031708891.db2.gz PXMHCSXYGIWTHZ-UHFFFAOYSA-N 0 2 322.151 3.599 20 0 DHADLN [O-]c1cc(F)c(C[N@@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1F ZINC001144658152 1031814260 /nfs/dbraw/zinc/81/42/60/1031814260.db2.gz SRPYTVFQXVGMAX-GFCCVEGCSA-N 0 2 307.315 3.799 20 0 DHADLN [O-]c1cc(F)c(C[N@H+]2CC[C@@H](c3cccc(F)c3)C2)cc1F ZINC001144658152 1031814280 /nfs/dbraw/zinc/81/42/80/1031814280.db2.gz SRPYTVFQXVGMAX-GFCCVEGCSA-N 0 2 307.315 3.799 20 0 DHADLN CC[C@H](NC(=O)c1cc(F)c(O)c(F)c1)c1ccccc1F ZINC001144762232 1031945049 /nfs/dbraw/zinc/94/50/49/1031945049.db2.gz UCWSNKBKKBMFGT-AWEZNQCLSA-N 0 2 309.287 3.691 20 0 DHADLN Cc1cc(F)cc(-c2noc(-c3ncc(C(F)(F)F)[nH]3)n2)c1 ZINC001212690113 1033462059 /nfs/dbraw/zinc/46/20/59/1033462059.db2.gz YNOWMICZOYOEKU-UHFFFAOYSA-N 0 2 312.226 3.593 20 0 DHADLN O=C(NCc1c(Cl)oc2ccccc21)C(F)C(F)(F)F ZINC000862774415 1033929438 /nfs/dbraw/zinc/92/94/38/1033929438.db2.gz BLSCQCDPRBDAOY-VIFPVBQESA-N 0 2 309.646 3.603 20 0 DHADLN O=C(NCc1c(Cl)oc2ccccc21)[C@H](F)C(F)(F)F ZINC000862774415 1033929444 /nfs/dbraw/zinc/92/94/44/1033929444.db2.gz BLSCQCDPRBDAOY-VIFPVBQESA-N 0 2 309.646 3.603 20 0 DHADLN CCN(Cc1nc(=O)c2sccc2[nH]1)c1cccc(C)c1F ZINC000879415206 1034009721 /nfs/dbraw/zinc/00/97/21/1034009721.db2.gz WNHMQJHEDGMPCW-UHFFFAOYSA-N 0 2 317.389 3.871 20 0 DHADLN O=C(Nc1c(F)cccc1NC1CC1)c1cc(F)cc(F)c1O ZINC001137156334 1034349656 /nfs/dbraw/zinc/34/96/56/1034349656.db2.gz CDHKPRDXIWFWDN-UHFFFAOYSA-N 0 2 322.286 3.636 20 0 DHADLN O=c1cc(-c2ccc(Cl)cc2)[nH]n1C1CCC(F)(F)CC1 ZINC000899367166 1034614166 /nfs/dbraw/zinc/61/41/66/1034614166.db2.gz XBURWEMLYZSRMJ-UHFFFAOYSA-N 0 2 312.747 3.854 20 0 DHADLN CC[N@@H+](C)c1ccc(Nc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC001174822095 1034619271 /nfs/dbraw/zinc/61/92/71/1034619271.db2.gz PYMPBJKFIUWEJQ-UHFFFAOYSA-N 0 2 324.472 3.638 20 0 DHADLN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(F)c(O)c(F)c1 ZINC000186855288 1034666774 /nfs/dbraw/zinc/66/67/74/1034666774.db2.gz LPWWKIPGAHKHGQ-BXUZGUMPSA-N 0 2 317.335 3.689 20 0 DHADLN O=C([O-])c1ccc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc1F ZINC001175158415 1034818805 /nfs/dbraw/zinc/81/88/05/1034818805.db2.gz QPJFKVAVEPWIMA-UHFFFAOYSA-N 0 2 311.316 3.512 20 0 DHADLN Cc1cccc(CSc2nc(=O)cc(O)n2C2CCCC2)c1 ZINC000192971133 1034823972 /nfs/dbraw/zinc/82/39/72/1034823972.db2.gz QJAQZQKQXOKLNM-UHFFFAOYSA-N 0 2 316.426 3.665 20 0 DHADLN Cc1ccccc1CSc1nc(=O)cc(O)n1C1CCCC1 ZINC000193038931 1034829406 /nfs/dbraw/zinc/82/94/06/1034829406.db2.gz OSHGVBNCQCBFSR-UHFFFAOYSA-N 0 2 316.426 3.665 20 0 DHADLN O=C(Nc1ccc(C2CC2)cc1F)c1cc(F)cc(F)c1O ZINC001175320832 1034932283 /nfs/dbraw/zinc/93/22/83/1034932283.db2.gz FTJRLVDGSQEDAP-UHFFFAOYSA-N 0 2 307.271 3.939 20 0 DHADLN Cc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1Cl ZINC000194590040 1035222399 /nfs/dbraw/zinc/22/23/99/1035222399.db2.gz JLQNIYQTKQGCGE-HNNXBMFYSA-N 0 2 317.864 3.837 20 0 DHADLN CSCc1ccc(NS(=O)(=O)c2ccc(C)s2)cc1 ZINC000066588317 1035270293 /nfs/dbraw/zinc/27/02/93/1035270293.db2.gz HXEZWGQHVFYVAD-UHFFFAOYSA-N 0 2 313.469 3.720 20 0 DHADLN O=C([O-])/C=C/c1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1 ZINC001176593391 1035293083 /nfs/dbraw/zinc/29/30/83/1035293083.db2.gz BPHKWZBSADMYOX-ZZXKWVIFSA-N 0 2 313.744 3.829 20 0 DHADLN CCSc1cccc(C(=O)N=c2nc(C(C)(C)C)[nH]s2)c1 ZINC000484843298 1035408795 /nfs/dbraw/zinc/40/87/95/1035408795.db2.gz BUNLGLMEDNMYAM-UHFFFAOYSA-N 0 2 321.471 3.622 20 0 DHADLN COc1ccc([C@@H](C)NC(=O)c2cccc(Cl)c2O)cc1 ZINC000775656800 1036262372 /nfs/dbraw/zinc/26/23/72/1036262372.db2.gz MSPMJZBPHPCFDL-SNVBAGLBSA-N 0 2 305.761 3.545 20 0 DHADLN O=S(=O)(Nc1ncc(-c2ccccc2)s1)c1cccs1 ZINC000033968378 1036343595 /nfs/dbraw/zinc/34/35/95/1036343595.db2.gz NOEHMUZUWFGQLY-UHFFFAOYSA-N 0 2 322.436 3.672 20 0 DHADLN CCCCC1(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)CC1 ZINC001182483923 1036369216 /nfs/dbraw/zinc/36/92/16/1036369216.db2.gz ZNYFAJZBDVYGDN-UHFFFAOYSA-N 0 2 302.353 3.520 20 0 DHADLN Oc1c(Cl)cccc1-c1nc(COCc2ccccc2)no1 ZINC000761894175 1036387479 /nfs/dbraw/zinc/38/74/79/1036387479.db2.gz ZIKIVOSEYOLWOO-UHFFFAOYSA-N 0 2 316.744 3.812 20 0 DHADLN CCn1ncc2ccc(NC(=O)c3cccc(Cl)c3O)cc21 ZINC000775681718 1036411937 /nfs/dbraw/zinc/41/19/37/1036411937.db2.gz RZOYXTRTSTXMJD-UHFFFAOYSA-N 0 2 315.760 3.668 20 0 DHADLN CCOCc1cccc(NC(=O)c2cccc(Cl)c2O)c1 ZINC000775697610 1036473906 /nfs/dbraw/zinc/47/39/06/1036473906.db2.gz HSNCMYBADIMZOS-UHFFFAOYSA-N 0 2 305.761 3.834 20 0 DHADLN CC(C)CCC1CCN(C(=O)c2c(O)cc(F)cc2F)CC1 ZINC001182942372 1036486230 /nfs/dbraw/zinc/48/62/30/1036486230.db2.gz SZLJPODXRMQIBV-UHFFFAOYSA-N 0 2 311.372 3.959 20 0 DHADLN Cc1ccc(NC(=O)c2cc(Cl)c(F)cc2O)c2n[nH]cc21 ZINC001196465800 1036535625 /nfs/dbraw/zinc/53/56/25/1036535625.db2.gz CZSGMIPUPFHCBM-UHFFFAOYSA-N 0 2 319.723 3.622 20 0 DHADLN CCc1nc([C@H](C)NC(=O)c2cccc(Cl)c2O)cs1 ZINC000775735761 1036586364 /nfs/dbraw/zinc/58/63/64/1036586364.db2.gz VEIZVNYAMSWGHZ-QMMMGPOBSA-N 0 2 310.806 3.556 20 0 DHADLN CN(C(=O)c1cccc(Cl)c1O)[C@H]1CCc2ccccc2C1 ZINC000775747516 1036626831 /nfs/dbraw/zinc/62/68/31/1036626831.db2.gz LVYAWTBJBQEDPG-AWEZNQCLSA-N 0 2 315.800 3.675 20 0 DHADLN CC(C)[C@@H](NC(=O)c1cccc(Cl)c1O)c1ccccn1 ZINC000775750249 1036654436 /nfs/dbraw/zinc/65/44/36/1036654436.db2.gz PQOSGSGEWUAINS-CQSZACIVSA-N 0 2 304.777 3.568 20 0 DHADLN O=C(N[C@@H]1CSc2ccccc21)c1cccc(Cl)c1O ZINC000775750097 1036655790 /nfs/dbraw/zinc/65/57/90/1036655790.db2.gz YSPOMNQMAFREDZ-GFCCVEGCSA-N 0 2 305.786 3.622 20 0 DHADLN C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1cccc(Cl)c1O ZINC000775752552 1036661504 /nfs/dbraw/zinc/66/15/04/1036661504.db2.gz CSQOUAWVTGHIQE-SNVBAGLBSA-N 0 2 319.763 3.944 20 0 DHADLN Cn1cccc1[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1O ZINC000775768281 1036741644 /nfs/dbraw/zinc/74/16/44/1036741644.db2.gz MXPIFDIWFSNDKI-HNNXBMFYSA-N 0 2 318.804 3.752 20 0 DHADLN O=C(Nc1ccc2c(c1)C(=O)CCC2)c1cccc(Cl)c1O ZINC000775773283 1036769745 /nfs/dbraw/zinc/76/97/45/1036769745.db2.gz XRVAPVPNURSGFR-UHFFFAOYSA-N 0 2 315.756 3.817 20 0 DHADLN O=C(Nc1ccnn1C1CCCCC1)c1cc(F)c(O)c(F)c1 ZINC000762592646 1036863198 /nfs/dbraw/zinc/86/31/98/1036863198.db2.gz JIDXBOGHQHGXHE-UHFFFAOYSA-N 0 2 321.327 3.624 20 0 DHADLN CC[C@](C)(NC(=O)c1cc(F)c(O)c(F)c1)c1ccccc1 ZINC000762598562 1036864380 /nfs/dbraw/zinc/86/43/80/1036864380.db2.gz QRKQVRVQQHKFAL-KRWDZBQOSA-N 0 2 305.324 3.726 20 0 DHADLN CCCCc1ccccc1NS(=O)(=O)c1cccnc1Cl ZINC001184875475 1036967315 /nfs/dbraw/zinc/96/73/15/1036967315.db2.gz SGXGMJMIVLTXOW-UHFFFAOYSA-N 0 2 324.833 3.878 20 0 DHADLN Cc1noc(C)c1NC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC001185180357 1037054461 /nfs/dbraw/zinc/05/44/61/1037054461.db2.gz LFOWECFNUAAONR-UHFFFAOYSA-N 0 2 316.144 3.948 20 0 DHADLN CCC(CC)[C@H](CCNC(=O)c1cccc(Cl)c1O)OC ZINC001127385225 1037205680 /nfs/dbraw/zinc/20/56/80/1037205680.db2.gz VZNSEDJGMHHEIT-AWEZNQCLSA-N 0 2 313.825 3.617 20 0 DHADLN C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cccc(Cl)c1O ZINC000775941711 1037213582 /nfs/dbraw/zinc/21/35/82/1037213582.db2.gz JYUYMZPAYFZMQF-SCZZXKLOSA-N 0 2 321.726 3.849 20 0 DHADLN O=C(Nc1ccnc(Cl)c1O)Nc1c(F)cc(F)cc1F ZINC001186021147 1037291852 /nfs/dbraw/zinc/29/18/52/1037291852.db2.gz RSTZWBLRSMQPRG-UHFFFAOYSA-N 0 2 317.654 3.502 20 0 DHADLN O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc2[nH]nnc2c1 ZINC000170224581 1037303303 /nfs/dbraw/zinc/30/33/03/1037303303.db2.gz JEAJBYHFDPSHID-UHFFFAOYSA-N 0 2 307.140 3.517 20 0 DHADLN C[C@H](NC(=O)c1cccc(Cl)c1O)c1cccc(F)c1F ZINC001127277389 1037363230 /nfs/dbraw/zinc/36/32/30/1037363230.db2.gz CABMVHZEGXPBMS-QMMMGPOBSA-N 0 2 311.715 3.815 20 0 DHADLN COc1nc(C(C)C)ccc1Nc1nnc(-c2ccco2)o1 ZINC001201438267 1037695081 /nfs/dbraw/zinc/69/50/81/1037695081.db2.gz SNJLGSJYMRBQHF-UHFFFAOYSA-N 0 2 300.318 3.600 20 0 DHADLN Cc1nc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cs1 ZINC001201795599 1037895996 /nfs/dbraw/zinc/89/59/96/1037895996.db2.gz RITUQWRNUIYGDA-UHFFFAOYSA-N 0 2 324.471 3.794 20 0 DHADLN C[C@@H]([NH2+]Cc1[nH]nc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC001201851362 1037909425 /nfs/dbraw/zinc/90/94/25/1037909425.db2.gz VNDJQKFGIJDSEK-CQSZACIVSA-N 0 2 317.396 3.599 20 0 DHADLN O=S(=O)(Nc1ccc(F)cc1-c1ccccc1)c1ccoc1 ZINC001188617727 1037934868 /nfs/dbraw/zinc/93/48/68/1037934868.db2.gz QBWJYOSPLZCFHA-UHFFFAOYSA-N 0 2 317.341 3.887 20 0 DHADLN CCc1cccc(C)c1NC(=O)Nc1ccnc(Cl)c1O ZINC001189949238 1038238242 /nfs/dbraw/zinc/23/82/42/1038238242.db2.gz IICBZFXZFQAWJW-UHFFFAOYSA-N 0 2 305.765 3.955 20 0 DHADLN CCC(C)(C)c1ccc(S(=O)(=O)Nc2cnsc2)cc1 ZINC001190432257 1038315540 /nfs/dbraw/zinc/31/55/40/1038315540.db2.gz SMOYRFDJFZUGBJ-UHFFFAOYSA-N 0 2 310.444 3.632 20 0 DHADLN O=C(NCc1cccc(Oc2ccccc2F)c1)C(F)(F)F ZINC001192075648 1038582825 /nfs/dbraw/zinc/58/28/25/1038582825.db2.gz LXTFXQFQCMKHFL-UHFFFAOYSA-N 0 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LKGYCTALWFDOMV-UHFFFAOYSA-N 0 2 313.300 3.784 20 0 DHADLN CC[C@H](NC(=O)c1cc(F)c(F)c(O)c1F)c1ccc(C)cc1 ZINC000193910546 340585781 /nfs/dbraw/zinc/58/57/81/340585781.db2.gz MRTHZFBUJYRWKO-ZDUSSCGKSA-N 0 2 323.314 3.999 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2ccnn2[C@@H](C)CC(C)C)cc1 ZINC000524297048 340651974 /nfs/dbraw/zinc/65/19/74/340651974.db2.gz CTNJYCZEVLXBLJ-AWEZNQCLSA-N 0 2 321.446 3.599 20 0 DHADLN O=S(=O)(Nc1ccc2[nH]ccc2c1)c1ccc(Cl)s1 ZINC000074842302 340711200 /nfs/dbraw/zinc/71/12/00/340711200.db2.gz RTUDUKQMIRDNGB-UHFFFAOYSA-N 0 2 312.803 3.684 20 0 DHADLN CCCCO[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000539931473 340910298 /nfs/dbraw/zinc/91/02/98/340910298.db2.gz KWXLRGQIFTYCCF-MRVPVSSYSA-N 0 2 306.189 3.843 20 0 DHADLN Cc1cc(NC(=O)c2c(O)cc(Cl)cc2Cl)sn1 ZINC000130309067 341015267 /nfs/dbraw/zinc/01/52/67/341015267.db2.gz DBNHFPFLCQSQAK-UHFFFAOYSA-N 0 2 303.170 3.716 20 0 DHADLN CC(C)CO[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000544814105 341094548 /nfs/dbraw/zinc/09/45/48/341094548.db2.gz WUTIREFLEFTNFZ-QMMMGPOBSA-N 0 2 306.189 3.699 20 0 DHADLN C[C@@H]1CCN(C(=O)c2cc(F)c(O)c(F)c2)[C@@H]2CCCC[C@@H]12 ZINC000545155341 341110423 /nfs/dbraw/zinc/11/04/23/341110423.db2.gz OMQTUQQVLJVECP-IFUGULHKSA-N 0 2 309.356 3.711 20 0 DHADLN Oc1c(Br)cccc1-c1nc(C2CCCC2)no1 ZINC000545606324 341132786 /nfs/dbraw/zinc/13/27/86/341132786.db2.gz LVIILUOEOYHQDZ-UHFFFAOYSA-N 0 2 309.163 3.862 20 0 DHADLN C[C@H]1CCN(C(=O)c2cc(-c3ccoc3)n[nH]2)c2c(O)cccc21 ZINC000545953765 341148265 /nfs/dbraw/zinc/14/82/65/341148265.db2.gz SMRJOQVQJSJSJN-NSHDSACASA-N 0 2 323.352 3.529 20 0 DHADLN CCCCCS(=O)(=O)N[C@@H](c1cccc(C)c1)C(F)(F)F ZINC000546780952 341182210 /nfs/dbraw/zinc/18/22/10/341182210.db2.gz LGNVBBMAAVPVRF-ZDUSSCGKSA-N 0 2 323.380 3.708 20 0 DHADLN O=c1nc(-c2ccccc2)[nH]c2c(-c3ccccc3)nsc21 ZINC000547702204 341227552 /nfs/dbraw/zinc/22/75/52/341227552.db2.gz NTSJWAVYESZMLZ-UHFFFAOYSA-N 0 2 305.362 3.714 20 0 DHADLN Cc1cnc(NC(=O)c2c(O)cc(Cl)cc2Cl)s1 ZINC000081933285 341310356 /nfs/dbraw/zinc/31/03/56/341310356.db2.gz AAJUDLJNOPPZGJ-UHFFFAOYSA-N 0 2 303.170 3.716 20 0 DHADLN C[C@@H]1CN(C(=O)c2cc(F)cc(Cl)c2O)[C@@H]2CCCC[C@H]21 ZINC000248392598 341376300 /nfs/dbraw/zinc/37/63/00/341376300.db2.gz WFEJAQHZHNHLMS-OLUVUFQESA-N 0 2 311.784 3.835 20 0 DHADLN C[C@@H]1[C@H](C(=O)[O-])CCN1c1[nH+]ccc2cc(C(F)(F)F)ccc21 ZINC000566297096 341553189 /nfs/dbraw/zinc/55/31/89/341553189.db2.gz MADVNSRDISRCLR-BXKDBHETSA-N 0 2 324.302 3.553 20 0 DHADLN O=C(C[C@@H]1CCCCO1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000130160901 527112622 /nfs/dbraw/zinc/11/26/22/527112622.db2.gz YQJBNAARERDMON-VIFPVBQESA-N 0 2 304.173 3.597 20 0 DHADLN CCCN(C(=O)[C@H](F)C(F)(F)F)[C@@H](C)c1ccccc1OC ZINC000290251644 535234125 /nfs/dbraw/zinc/23/41/25/535234125.db2.gz UGZPCGVURLDTOY-GWCFXTLKSA-N 0 2 321.314 3.895 20 0 DHADLN CCCN(C(=O)C(F)C(F)(F)F)[C@@H](C)c1ccccc1OC ZINC000290251644 535234135 /nfs/dbraw/zinc/23/41/35/535234135.db2.gz UGZPCGVURLDTOY-GWCFXTLKSA-N 0 2 321.314 3.895 20 0 DHADLN COCCC[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000272180491 536663926 /nfs/dbraw/zinc/66/39/26/536663926.db2.gz LJYIEOSDXUMFBB-QMMMGPOBSA-N 0 2 306.189 3.700 20 0 DHADLN C[C@@H](CC(=O)[O-])[NH2+]c1ccc(N2CCc3sccc3C2)cc1 ZINC000820088555 598218283 /nfs/dbraw/zinc/21/82/83/598218283.db2.gz BTIKXEFPHOBIMZ-LBPRGKRZSA-N 0 2 316.426 3.586 20 0 DHADLN C[N@H+](Cc1ccc(Cl)s1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737472060 599709785 /nfs/dbraw/zinc/70/97/85/599709785.db2.gz KQLKZFYWFIDYFY-CYBMUJFWSA-N 0 2 313.781 3.798 20 0 DHADLN C[N@@H+](Cc1ccc(Cl)s1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000737472060 599709786 /nfs/dbraw/zinc/70/97/86/599709786.db2.gz KQLKZFYWFIDYFY-CYBMUJFWSA-N 0 2 313.781 3.798 20 0 DHADLN O=C([O-])c1coc(C[N@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000740270064 599845741 /nfs/dbraw/zinc/84/57/41/599845741.db2.gz WFOCMYAWHIGCQZ-UHFFFAOYSA-N 0 2 311.337 3.773 20 0 DHADLN O=C([O-])c1coc(C[N@@H+](Cc2ccco2)Cc2ccccc2)c1 ZINC000740270064 599845742 /nfs/dbraw/zinc/84/57/42/599845742.db2.gz WFOCMYAWHIGCQZ-UHFFFAOYSA-N 0 2 311.337 3.773 20 0 DHADLN Cc1oc(C[NH2+][C@H](c2ccco2)c2ccccc2)cc1C(=O)[O-] ZINC000738981263 600049164 /nfs/dbraw/zinc/04/91/64/600049164.db2.gz WAYDTJWXHCNRLW-KRWDZBQOSA-N 0 2 311.337 3.758 20 0 DHADLN O=C([O-])c1cc(F)ccc1C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000740079309 600092833 /nfs/dbraw/zinc/09/28/33/600092833.db2.gz PCMBVFGOFBRXHN-CQSZACIVSA-N 0 2 320.389 3.708 20 0 DHADLN O=C([O-])c1cc(F)ccc1C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000740079309 600092834 /nfs/dbraw/zinc/09/28/34/600092834.db2.gz PCMBVFGOFBRXHN-CQSZACIVSA-N 0 2 320.389 3.708 20 0 DHADLN CCCC[C@@H]([NH2+]c1ccc(N2CCSCC2)cc1C)C(=O)[O-] ZINC000736982400 600156263 /nfs/dbraw/zinc/15/62/63/600156263.db2.gz NQKZIFATKWXAJP-MRXNPFEDSA-N 0 2 322.474 3.604 20 0 DHADLN Cc1cccnc1[C@H]([NH2+][C@H](C(=O)[O-])c1ccccc1F)C(C)C ZINC000832983577 601011244 /nfs/dbraw/zinc/01/12/44/601011244.db2.gz LAPCGNFIAVHGHO-WBVHZDCISA-N 0 2 316.376 3.642 20 0 DHADLN C/C(=C/C[N@@H+]1C[C@@H](c2ccccc2Cl)OCC1(C)C)C(=O)[O-] ZINC000825736049 601166544 /nfs/dbraw/zinc/16/65/44/601166544.db2.gz USFULRJDOJTENX-PINLSGDHSA-N 0 2 323.820 3.523 20 0 DHADLN C/C(=C/C[N@H+]1C[C@@H](c2ccccc2Cl)OCC1(C)C)C(=O)[O-] ZINC000825736049 601166546 /nfs/dbraw/zinc/16/65/46/601166546.db2.gz USFULRJDOJTENX-PINLSGDHSA-N 0 2 323.820 3.523 20 0 DHADLN C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000827934283 601437662 /nfs/dbraw/zinc/43/76/62/601437662.db2.gz DGKORCNGUKSGSU-ISVAXAHUSA-N 0 2 306.164 3.553 20 0 DHADLN C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000827934283 601437663 /nfs/dbraw/zinc/43/76/63/601437663.db2.gz DGKORCNGUKSGSU-ISVAXAHUSA-N 0 2 306.164 3.553 20 0 DHADLN CC[N@H+](Cc1ccc(C(=O)[O-])s1)Cc1c(F)cccc1F ZINC000829718973 601946933 /nfs/dbraw/zinc/94/69/33/601946933.db2.gz TYHNFYRENXCVID-UHFFFAOYSA-N 0 2 311.353 3.747 20 0 DHADLN CC[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1c(F)cccc1F ZINC000829718973 601946936 /nfs/dbraw/zinc/94/69/36/601946936.db2.gz TYHNFYRENXCVID-UHFFFAOYSA-N 0 2 311.353 3.747 20 0 DHADLN C[N@H+](Cc1csc(C2CCCC2)n1)C1(C(=O)[O-])CCCC1 ZINC000576004452 604456301 /nfs/dbraw/zinc/45/63/01/604456301.db2.gz XYORRECSLARGDN-UHFFFAOYSA-N 0 2 308.447 3.630 20 0 DHADLN C[N@@H+](Cc1csc(C2CCCC2)n1)C1(C(=O)[O-])CCCC1 ZINC000576004452 604456304 /nfs/dbraw/zinc/45/63/04/604456304.db2.gz XYORRECSLARGDN-UHFFFAOYSA-N 0 2 308.447 3.630 20 0 DHADLN C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833552207 605102385 /nfs/dbraw/zinc/10/23/85/605102385.db2.gz YAZLVLFPDHIOOK-JTQLQIEISA-N 0 2 315.398 3.516 20 0 DHADLN C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cc1ccc(C(=O)[O-])[nH]1 ZINC000833552207 605102388 /nfs/dbraw/zinc/10/23/88/605102388.db2.gz YAZLVLFPDHIOOK-JTQLQIEISA-N 0 2 315.398 3.516 20 0 DHADLN C[C@@H](c1ccccc1F)[N@H+](C)Cc1cc(C(=O)[O-])ccc1F ZINC000387392140 605828727 /nfs/dbraw/zinc/82/87/27/605828727.db2.gz WTZQKBNYBMPPIM-NSHDSACASA-N 0 2 305.324 3.856 20 0 DHADLN C[C@@H](c1ccccc1F)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1F ZINC000387392140 605828735 /nfs/dbraw/zinc/82/87/35/605828735.db2.gz WTZQKBNYBMPPIM-NSHDSACASA-N 0 2 305.324 3.856 20 0 DHADLN C[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1nc(C2CCCCC2)cs1 ZINC001573646088 959641764 /nfs/dbraw/zinc/64/17/64/959641764.db2.gz OWDSPFNJZCQXLV-INIZCTEOSA-N 0 2 308.447 3.630 20 0 DHADLN C[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1nc(C2CCCCC2)cs1 ZINC001573646088 959641771 /nfs/dbraw/zinc/64/17/71/959641771.db2.gz OWDSPFNJZCQXLV-INIZCTEOSA-N 0 2 308.447 3.630 20 0 DHADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2nccs2)c1Cl ZINC000340037683 1013212524 /nfs/dbraw/zinc/21/25/24/1013212524.db2.gz FEFDMXMYYCCYSO-UHFFFAOYSA-N 0 2 323.226 3.559 20 0 DHADLN O=C([O-])c1cc(F)cc(Nc2cc(Cl)c3[nH+]ccn3c2)c1 ZINC001209887684 1013413114 /nfs/dbraw/zinc/41/31/14/1013413114.db2.gz KCKKHKHARABDPI-UHFFFAOYSA-N 0 2 305.696 3.569 20 0 DHADLN Cc1sc(NS(=O)(=O)Cc2ccccc2)nc1C(C)C ZINC000579979002 1013828507 /nfs/dbraw/zinc/82/85/07/1013828507.db2.gz MTWPFZQSCGATIO-UHFFFAOYSA-N 0 2 310.444 3.517 20 0 DHADLN C[N@H+](Cc1ccco1)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000568281274 974663937 /nfs/dbraw/zinc/66/39/37/974663937.db2.gz FKRASXQOJIQKFC-CYBMUJFWSA-N 0 2 313.275 3.556 20 0 DHADLN C[N@@H+](Cc1ccco1)[C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000568281274 974663942 /nfs/dbraw/zinc/66/39/42/974663942.db2.gz FKRASXQOJIQKFC-CYBMUJFWSA-N 0 2 313.275 3.556 20 0 DHADLN Cc1ccc(-c2cnc(C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-])o2)cc1 ZINC000574046351 974775884 /nfs/dbraw/zinc/77/58/84/974775884.db2.gz FQGJETRTIQIKAX-HNNXBMFYSA-N 0 2 316.401 3.581 20 0 DHADLN Cc1ccc(-c2cnc(C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])o2)cc1 ZINC000574046351 974775886 /nfs/dbraw/zinc/77/58/86/974775886.db2.gz FQGJETRTIQIKAX-HNNXBMFYSA-N 0 2 316.401 3.581 20 0 DHADLN COc1ccc([C@@H](Nc2ccc(C(=O)[O-])c[nH+]2)C(C)C)cc1 ZINC000647448712 975361047 /nfs/dbraw/zinc/36/10/47/975361047.db2.gz YBXFNEFQYCHRNP-INIZCTEOSA-N 0 2 300.358 3.598 20 0 DHADLN O=C([O-])c1cccc(C[NH2+][C@@H](CCc2ccccc2)C(F)F)c1 ZINC000666583039 975976895 /nfs/dbraw/zinc/97/68/95/975976895.db2.gz HRWLCWUNIGOENL-INIZCTEOSA-N 0 2 319.351 3.741 20 0 DHADLN CC[C@]([NH2+]Cc1cc(C)co1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595299293 980425825 /nfs/dbraw/zinc/42/58/25/980425825.db2.gz OPWQNMGYIAVGIA-MRXNPFEDSA-N 0 2 307.777 3.721 20 0 DHADLN Cc1cccc(S(=O)(=O)Nc2ccc3ccoc3c2)c1F ZINC000442856236 1014756624 /nfs/dbraw/zinc/75/66/24/1014756624.db2.gz YNCLGBGQXXWYQV-UHFFFAOYSA-N 0 2 305.330 3.681 20 0 DHADLN O=C(CCC1CCCCC1)N=c1nc(-c2ccccc2)[nH]s1 ZINC000614689050 1014900632 /nfs/dbraw/zinc/90/06/32/1014900632.db2.gz UZZHMDFNEZYEPM-UHFFFAOYSA-N 0 2 315.442 3.926 20 0 DHADLN C[C@H]([NH2+]Cc1oncc1C(=O)[O-])c1cc(Cl)ccc1Cl ZINC001599901923 984850396 /nfs/dbraw/zinc/85/03/96/984850396.db2.gz WPRDFYYEMOCRNA-ZETCQYMHSA-N 0 2 315.156 3.530 20 0 DHADLN Cc1ccnc(NS(=O)(=O)c2cccc(Cl)c2)c1C1CC1 ZINC000656738368 1015105983 /nfs/dbraw/zinc/10/59/83/1015105983.db2.gz JCHSGSCAJSOXPM-UHFFFAOYSA-N 0 2 322.817 3.722 20 0 DHADLN Cc1cc(C)cc(C[C@@H](C)NC(=O)c2c(O)cc(F)cc2F)c1 ZINC000608473831 1015166248 /nfs/dbraw/zinc/16/62/48/1015166248.db2.gz AWWAXFXCQHTXQP-GFCCVEGCSA-N 0 2 319.351 3.648 20 0 DHADLN CCSCc1cc[nH+]c(NCc2ccc(/C=C/C(=O)[O-])o2)c1 ZINC001597266828 987298350 /nfs/dbraw/zinc/29/83/50/987298350.db2.gz BHFMSEIIZMIKLZ-AATRIKPKSA-N 0 2 318.398 3.638 20 0 DHADLN CCSCc1cc[nH+]c(NC2CCC(CC(=O)[O-])CC2)c1 ZINC001597267751 987305252 /nfs/dbraw/zinc/30/52/52/987305252.db2.gz OQEVTAAIPSMYDY-UHFFFAOYSA-N 0 2 308.447 3.780 20 0 DHADLN O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cc(F)ccc1F ZINC000008105487 1015307564 /nfs/dbraw/zinc/30/75/64/1015307564.db2.gz HSIYBRFTKBIAMH-UHFFFAOYSA-N 0 2 321.707 3.558 20 0 DHADLN C[C@@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1cc(C(=O)[O-])co1 ZINC001593292846 994679641 /nfs/dbraw/zinc/67/96/41/994679641.db2.gz PYBUXQIXWDVOJM-SSDOTTSWSA-N 0 2 315.703 3.760 20 0 DHADLN C[C@H]([NH2+]Cc1cc(F)c(Cl)cc1F)c1cc(C(=O)[O-])co1 ZINC001593292847 994680074 /nfs/dbraw/zinc/68/00/74/994680074.db2.gz PYBUXQIXWDVOJM-ZETCQYMHSA-N 0 2 315.703 3.760 20 0 DHADLN C[C@H]([NH2+]Cc1oncc1C(=O)[O-])c1cccc(Cl)c1Cl ZINC001593318881 994841363 /nfs/dbraw/zinc/84/13/63/994841363.db2.gz MECHFPOYHWKGFZ-ZETCQYMHSA-N 0 2 315.156 3.530 20 0 DHADLN COc1cccc(F)c1[C@@H](C)[NH2+]Cc1ccc(C(=O)[O-])cc1F ZINC001599676151 994900276 /nfs/dbraw/zinc/90/02/76/994900276.db2.gz CAWILXKPNAJSAB-SNVBAGLBSA-N 0 2 321.323 3.522 20 0 DHADLN C[C@H](c1ccco1)[N@H+]([C@@H](C)c1ncc(C(=O)[O-])s1)C1CC1 ZINC001593719558 996244722 /nfs/dbraw/zinc/24/47/22/996244722.db2.gz OUSPTOCOZXEFBJ-ZJUUUORDSA-N 0 2 306.387 3.721 20 0 DHADLN C[C@H](c1ccco1)[N@@H+]([C@@H](C)c1ncc(C(=O)[O-])s1)C1CC1 ZINC001593719558 996244725 /nfs/dbraw/zinc/24/47/25/996244725.db2.gz OUSPTOCOZXEFBJ-ZJUUUORDSA-N 0 2 306.387 3.721 20 0 DHADLN Cc1cc(Nc2ccc(N3CCCCC3)[nH+]c2)cc(C(=O)[O-])c1 ZINC001211534859 1016079613 /nfs/dbraw/zinc/07/96/13/1016079613.db2.gz HCRJEKOZGUMTMT-UHFFFAOYSA-N 0 2 311.385 3.822 20 0 DHADLN O=C(NCc1ccccc1OC1CCCC1)C(F)C(F)(F)F ZINC000277293568 1016163318 /nfs/dbraw/zinc/16/33/18/1016163318.db2.gz 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Cc1nc2ccc(NC(=O)c3cc(F)cc(Cl)c3O)cc2o1 ZINC000436624924 338280451 /nfs/dbraw/zinc/28/04/51/338280451.db2.gz BXLUWPNHESRFQT-UHFFFAOYSA-N 0 2 320.707 3.887 20 0 DHADLN CCS[C@@H]1CCC[C@@H]1NC(=O)c1cc(F)cc(Cl)c1O ZINC000436638822 338280972 /nfs/dbraw/zinc/28/09/72/338280972.db2.gz HLNBTSJCUOGMGM-NWDGAFQWSA-N 0 2 317.813 3.589 20 0 DHADLN CC(C)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2O)n[nH]1 ZINC000436671888 338282311 /nfs/dbraw/zinc/28/23/11/338282311.db2.gz MEVMKYXFMICNRS-UHFFFAOYSA-N 0 2 314.172 3.798 20 0 DHADLN CC(C)N(C)c1ccccc1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000436798067 338287753 /nfs/dbraw/zinc/28/77/53/338287753.db2.gz QUVHYKDFYFIVOP-UHFFFAOYSA-N 0 2 320.339 3.767 20 0 DHADLN O=C(Nc1nc(C2CC2)cs1)c1cc(F)cc(Cl)c1O ZINC000436930463 338294139 /nfs/dbraw/zinc/29/41/39/338294139.db2.gz GJHGFCORSUPHTP-UHFFFAOYSA-N 0 2 312.753 3.771 20 0 DHADLN Cc1cccc(C)c1[C@H](C)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000436965329 338296077 /nfs/dbraw/zinc/29/60/77/338296077.db2.gz JBTPOGLHDKQPQX-NSHDSACASA-N 0 2 305.324 3.778 20 0 DHADLN CS[C@@H](CNC(=O)c1cc(F)c(O)c(Cl)c1)C(C)(C)C ZINC000437005900 338297530 /nfs/dbraw/zinc/29/75/30/338297530.db2.gz WWHNCDVBPBKIFQ-NSHDSACASA-N 0 2 319.829 3.692 20 0 DHADLN CCCN(CC(C)C)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000447996912 338573866 /nfs/dbraw/zinc/57/38/66/338573866.db2.gz CFRIFYWKVUWPAA-UHFFFAOYSA-N 0 2 324.475 3.588 20 0 DHADLN C[C@@H](Sc1n[nH]c(=O)[nH]1)c1ncc(-c2ccc(Cl)cc2)o1 ZINC000194631531 338670480 /nfs/dbraw/zinc/67/04/80/338670480.db2.gz HXSKTPAGLINBGH-SSDOTTSWSA-N 0 2 322.777 3.672 20 0 DHADLN Cc1cc(C)c(S(=O)(=O)Nc2ncc(C(C)C)s2)s1 ZINC000450968927 338714884 /nfs/dbraw/zinc/71/48/84/338714884.db2.gz KXCIKPFWTALOMF-UHFFFAOYSA-N 0 2 316.473 3.746 20 0 DHADLN CCOc1cc(NS(=O)(=O)c2cc(C)cs2)ccc1C ZINC000451004824 338716866 /nfs/dbraw/zinc/71/68/66/338716866.db2.gz OBZNDTKCLBHSKE-UHFFFAOYSA-N 0 2 311.428 3.564 20 0 DHADLN C[C@H]1Cc2ccccc2CN1C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000194757414 338744405 /nfs/dbraw/zinc/74/44/05/338744405.db2.gz IACVIGJJHAHSAN-JTQLQIEISA-N 0 2 319.763 3.772 20 0 DHADLN CCC[C@@H](NC(=O)c1cc(F)c(F)c(O)c1F)C(C)(C)C ZINC000456104372 338919480 /nfs/dbraw/zinc/91/94/80/338919480.db2.gz FVGCVTIGAXWRKG-SNVBAGLBSA-N 0 2 303.324 3.754 20 0 DHADLN CC(C)[C@H]1N(C(=O)c2cc(F)c(O)c(F)c2)CC12CCCC2 ZINC000457153180 338953311 /nfs/dbraw/zinc/95/33/11/338953311.db2.gz YSCVZCJBKIPAIJ-OAHLLOKOSA-N 0 2 309.356 3.711 20 0 DHADLN Cn1c[nH+]cc1CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000459314092 339021140 /nfs/dbraw/zinc/02/11/40/339021140.db2.gz YXOKJVGZZFOOIX-UHFFFAOYSA-N 0 2 324.255 3.934 20 0 DHADLN Cc1ccsc1S(=O)(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000468768299 339270253 /nfs/dbraw/zinc/27/02/53/339270253.db2.gz AZKSVLPLJMSWMJ-UHFFFAOYSA-N 0 2 323.439 3.571 20 0 DHADLN Cc1ccsc1-c1nc(=NC(=O)CC2CCCC2)s[nH]1 ZINC000472268579 339368217 /nfs/dbraw/zinc/36/82/17/339368217.db2.gz PCPZGKORWKWTDJ-UHFFFAOYSA-N 0 2 307.444 3.516 20 0 DHADLN Cc1ccsc1-c1nc(=NC(=O)CCC(C)(C)C)s[nH]1 ZINC000472285300 339368896 /nfs/dbraw/zinc/36/88/96/339368896.db2.gz 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/nfs/dbraw/zinc/62/10/64/340621064.db2.gz MFKLJFIVZUAKRF-UHFFFAOYSA-N 0 2 317.559 4.000 20 0 DHADLN CSCc1ccc(NS(=O)(=O)c2sccc2C)cc1 ZINC000525010455 340686960 /nfs/dbraw/zinc/68/69/60/340686960.db2.gz SKZIXHIOFHVENJ-UHFFFAOYSA-N 0 2 313.469 3.720 20 0 DHADLN CC[C@H](C)c1ccc(S(=O)(=O)Nc2noc(C(C)C)n2)cc1 ZINC000539796541 340900248 /nfs/dbraw/zinc/90/02/48/340900248.db2.gz HNELZGCBNAUDKU-NSHDSACASA-N 0 2 323.418 3.507 20 0 DHADLN CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(F)c(F)c(O)c1F ZINC000541724360 340980938 /nfs/dbraw/zinc/98/09/38/340980938.db2.gz PXCRPRJLVHFRPY-JOYOIKCWSA-N 0 2 315.335 3.850 20 0 DHADLN CC(C)c1nsc(N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)n1 ZINC000542523011 341012081 /nfs/dbraw/zinc/01/20/81/341012081.db2.gz YHZAOUFFJRMCMZ-UONOGXRCSA-N 0 2 321.421 3.555 20 0 DHADLN CCC(CC)N(C(=O)c1cc(F)c(F)c(O)c1F)C1CC1 ZINC000544492568 341084211 /nfs/dbraw/zinc/08/42/11/341084211.db2.gz HFJZNKYRHSDJES-UHFFFAOYSA-N 0 2 301.308 3.603 20 0 DHADLN Cc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccs1 ZINC000072760944 341104341 /nfs/dbraw/zinc/10/43/41/341104341.db2.gz ONWNVMXRSKFZLM-UHFFFAOYSA-N 0 2 321.345 3.876 20 0 DHADLN CCCCCOCC(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000546151176 341154843 /nfs/dbraw/zinc/15/48/43/341154843.db2.gz FZTGIUZGRZNTIM-UHFFFAOYSA-N 0 2 306.189 3.844 20 0 DHADLN Cc1cccc(Cl)c1S(=O)(=O)Nc1cc(C2CC2)ccn1 ZINC000564305013 341174681 /nfs/dbraw/zinc/17/46/81/341174681.db2.gz FWIZHLKXPGPCOW-UHFFFAOYSA-N 0 2 322.817 3.722 20 0 DHADLN CCCC[C@@H](CC)C(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000549719252 341301296 /nfs/dbraw/zinc/30/12/96/341301296.db2.gz WKLUNONQFDKPDN-GFCCVEGCSA-N 0 2 316.405 3.641 20 0 DHADLN CC[C@H](C(=O)c1ccccc1)S(=O)(=O)c1ccccc1Cl ZINC000081906534 341309772 /nfs/dbraw/zinc/30/97/72/341309772.db2.gz MPJSVWYDMDNHTL-CQSZACIVSA-N 0 2 322.813 3.775 20 0 DHADLN CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2nccs2)c1 ZINC000551025565 341329418 /nfs/dbraw/zinc/32/94/18/341329418.db2.gz KVPIHOJLZGKDQL-UHFFFAOYSA-N 0 2 316.835 3.721 20 0 DHADLN Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)c(C)c1 ZINC000551107638 341331857 /nfs/dbraw/zinc/33/18/57/341331857.db2.gz WLDJNUYFWAVTOK-UHFFFAOYSA-N 0 2 313.781 3.897 20 0 DHADLN C[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)C[C@H](C)O1 ZINC000248879611 341389253 /nfs/dbraw/zinc/38/92/53/341389253.db2.gz RNKSKLNIVYBHRV-AYMMMOKOSA-N 0 2 318.200 3.841 20 0 DHADLN CCCc1ccc(Cl)c(S(=O)(=O)Nc2ncccc2C)c1 ZINC000566905670 341571309 /nfs/dbraw/zinc/57/13/09/341571309.db2.gz GWXVFXPTKJQIPR-UHFFFAOYSA-N 0 2 324.833 3.797 20 0 DHADLN O=C(/C=C\c1cccnc1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000263633176 341574343 /nfs/dbraw/zinc/57/43/43/341574343.db2.gz LHXIYIPSQISNJX-ARJAWSKDSA-N 0 2 309.152 3.746 20 0 DHADLN CSc1ccccc1NS(=O)(=O)c1ccc(C)cc1F ZINC000405017589 341575725 /nfs/dbraw/zinc/57/57/25/341575725.db2.gz GEYMQYYMKNLKSV-UHFFFAOYSA-N 0 2 311.403 3.657 20 0 DHADLN O=C(CCC1CCOCC1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000159278968 341693477 /nfs/dbraw/zinc/69/34/77/341693477.db2.gz FODUCYJSJCYLEJ-UHFFFAOYSA-N 0 2 318.200 3.844 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2cc(C3CC3)ccn2)c(Cl)c1 ZINC000576081581 341824694 /nfs/dbraw/zinc/82/46/94/341824694.db2.gz TVXHGKIVKVGEMD-UHFFFAOYSA-N 0 2 322.817 3.722 20 0 DHADLN CO[C@@H](C)c1cccc(NS(=O)(=O)c2ccc(C)s2)c1 ZINC000339207374 523452722 /nfs/dbraw/zinc/45/27/22/523452722.db2.gz OBQCLOOAPPKVMS-NSHDSACASA-N 0 2 311.428 3.565 20 0 DHADLN O=c1[nH]nc(CS[C@@H](c2ccccc2)c2ccc(F)cc2)[nH]1 ZINC000338401117 526378077 /nfs/dbraw/zinc/37/80/77/526378077.db2.gz LMPBTQFYTAXNBI-HNNXBMFYSA-N 0 2 315.373 3.672 20 0 DHADLN O=C(c1ccc(Cl)c(Cl)c1O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000155168670 526673253 /nfs/dbraw/zinc/67/32/53/526673253.db2.gz LDPVIWBCAQIVSG-DTORHVGOSA-N 0 2 300.185 3.571 20 0 DHADLN O=C([O-])c1cccc(C[NH2+][C@H](c2nccs2)c2ccccc2)c1 ZINC000821551274 598203299 /nfs/dbraw/zinc/20/32/99/598203299.db2.gz AKXBCZZNJGWLJJ-INIZCTEOSA-N 0 2 324.405 3.721 20 0 DHADLN Cc1oc(C[N@@H+](C)Cc2ccc(Cl)cc2F)cc1C(=O)[O-] ZINC000568065997 600138136 /nfs/dbraw/zinc/13/81/36/600138136.db2.gz NACPEPTZRBXUJT-UHFFFAOYSA-N 0 2 311.740 3.711 20 0 DHADLN Cc1oc(C[N@H+](C)Cc2ccc(Cl)cc2F)cc1C(=O)[O-] ZINC000568065997 600138139 /nfs/dbraw/zinc/13/81/39/600138139.db2.gz NACPEPTZRBXUJT-UHFFFAOYSA-N 0 2 311.740 3.711 20 0 DHADLN CCC[C@@](C)([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000386183107 600321686 /nfs/dbraw/zinc/32/16/86/600321686.db2.gz GZYCVNIGUIXCJW-MRXNPFEDSA-N 0 2 322.792 3.728 20 0 DHADLN O=C([O-])[C@H]([NH2+]Cc1csc2ccccc12)c1ccccc1F ZINC000426773681 600739031 /nfs/dbraw/zinc/73/90/31/600739031.db2.gz KTCZEYCGNBLSPW-MRXNPFEDSA-N 0 2 315.369 3.956 20 0 DHADLN C[C@H]([NH2+][C@@H](C(=O)[O-])c1ccccc1F)c1c(F)cccc1F ZINC000827718752 600741596 /nfs/dbraw/zinc/74/15/96/600741596.db2.gz XLESZHPPKDUQFZ-BJOHPYRUSA-N 0 2 309.287 3.580 20 0 DHADLN O=C([O-])[C@H]([NH2+]Cc1c(F)cccc1Cl)c1ccccc1F ZINC000833166798 600745002 /nfs/dbraw/zinc/74/50/02/600745002.db2.gz UVLAMKCOJKKDFY-CQSZACIVSA-N 0 2 311.715 3.534 20 0 DHADLN CC(C)CCc1nc(C[N@H+](C)C2(C(=O)[O-])CCCC2)cs1 ZINC000826861427 604461235 /nfs/dbraw/zinc/46/12/35/604461235.db2.gz SYDDRUYKBUWZJP-UHFFFAOYSA-N 0 2 310.463 3.561 20 0 DHADLN CC(C)CCc1nc(C[N@@H+](C)C2(C(=O)[O-])CCCC2)cs1 ZINC000826861427 604461238 /nfs/dbraw/zinc/46/12/38/604461238.db2.gz SYDDRUYKBUWZJP-UHFFFAOYSA-N 0 2 310.463 3.561 20 0 DHADLN C[C@H](c1cc(F)ccc1F)[N@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC000833545878 604750698 /nfs/dbraw/zinc/75/06/98/604750698.db2.gz BFPSJNSBXWFEQJ-SNVBAGLBSA-N 0 2 323.314 3.995 20 0 DHADLN C[C@H](c1cc(F)ccc1F)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC000833545878 604750699 /nfs/dbraw/zinc/75/06/99/604750699.db2.gz BFPSJNSBXWFEQJ-SNVBAGLBSA-N 0 2 323.314 3.995 20 0 DHADLN CC(C)c1cc(N2CCC(CCC(=O)[O-])CC2)nc(C(C)C)[nH+]1 ZINC000567984427 604941174 /nfs/dbraw/zinc/94/11/74/604941174.db2.gz MEXSCIUYCGVFRO-UHFFFAOYSA-N 0 2 319.449 3.805 20 0 DHADLN O=C([O-])Nc1ccc(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000834259676 605614836 /nfs/dbraw/zinc/61/48/36/605614836.db2.gz DQAGDUYDGRJAEQ-CQSZACIVSA-N 0 2 317.776 3.772 20 0 DHADLN O=C([O-])Nc1ccc(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)cn1 ZINC000834259676 605614841 /nfs/dbraw/zinc/61/48/41/605614841.db2.gz DQAGDUYDGRJAEQ-CQSZACIVSA-N 0 2 317.776 3.772 20 0 DHADLN CC[C@@H](C(=O)[O-])[N@H+](C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000650516433 954027367 /nfs/dbraw/zinc/02/73/67/954027367.db2.gz ADVCZIIEVRPMJD-ZDUSSCGKSA-N 0 2 322.792 3.598 20 0 DHADLN CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1nc(C)c(-c2ccc(Cl)cc2)o1 ZINC000650516433 954027380 /nfs/dbraw/zinc/02/73/80/954027380.db2.gz ADVCZIIEVRPMJD-ZDUSSCGKSA-N 0 2 322.792 3.598 20 0 DHADLN Cc1ccc2c(c1)CC[N@H+](Cc1ccc(-n3cc[nH+]c3)cc1)C2 ZINC000361730798 1032071729 /nfs/dbraw/zinc/07/17/29/1032071729.db2.gz ZXTHNDYLKZQWEU-UHFFFAOYSA-N 0 2 303.409 3.739 20 0 DHADLN C[C@H]1CC[C@H](CCC(=O)Nc2cc(Cl)cc(Cl)c2O)O1 ZINC000330626196 1013830722 /nfs/dbraw/zinc/83/07/22/1013830722.db2.gz UZJYDUIUSJGRLT-WCBMZHEXSA-N 0 2 318.200 3.985 20 0 DHADLN CCc1ccc(S(=O)(=O)Nc2ncc(C(C)C)s2)s1 ZINC000331246189 1013869654 /nfs/dbraw/zinc/86/96/54/1013869654.db2.gz RXONOTNCPWPVLI-UHFFFAOYSA-N 0 2 316.473 3.691 20 0 DHADLN OC1CC[NH+](c2ccc(Nc3cccc([S-])c3)cc2)CC1 ZINC001210947561 1014094274 /nfs/dbraw/zinc/09/42/74/1014094274.db2.gz SIVSVDQFDYVIRG-UHFFFAOYSA-N 0 2 300.427 3.680 20 0 DHADLN Cc1cc(C)cc(C2CCN(C(=O)C(F)C(F)(F)F)CC2)c1 ZINC000891292822 1014189614 /nfs/dbraw/zinc/18/96/14/1014189614.db2.gz VOHBIABARSJBJR-AWEZNQCLSA-N 0 2 317.326 3.910 20 0 DHADLN Cc1cc(C)cc(C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)c1 ZINC000891292822 1014189616 /nfs/dbraw/zinc/18/96/16/1014189616.db2.gz VOHBIABARSJBJR-AWEZNQCLSA-N 0 2 317.326 3.910 20 0 DHADLN CC(C)OCc1cccc(-c2[nH+]c3n(c2C(=O)[O-])CCCC3)c1 ZINC000580581290 1014234293 /nfs/dbraw/zinc/23/42/93/1014234293.db2.gz IHCHDVLQNBNYGM-UHFFFAOYSA-N 0 2 314.385 3.510 20 0 DHADLN CC(C)c1[nH]c(C[NH2+]C2(C(F)F)CCCC2)cc1C(=O)[O-] ZINC001591915734 976359763 /nfs/dbraw/zinc/35/97/63/976359763.db2.gz CXIBUPVPQFRRMB-UHFFFAOYSA-N 0 2 300.349 3.504 20 0 DHADLN Cc1cccc([C@H](C)C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000581243005 1014644456 /nfs/dbraw/zinc/64/44/56/1014644456.db2.gz ZABGHAFRDJJNJY-LBPRGKRZSA-N 0 2 324.359 3.661 20 0 DHADLN CCc1oc(C[NH2+][C@@](C)(CC)c2nc(C)cs2)cc1C(=O)[O-] ZINC000902294296 980820997 /nfs/dbraw/zinc/82/09/97/980820997.db2.gz XGNKNOSMXLMOON-INIZCTEOSA-N 0 2 322.430 3.720 20 0 DHADLN CCc1oc(C[NH2+][C@H](c2nc(C)cs2)C2CC2)cc1C(=O)[O-] ZINC000902316001 980829849 /nfs/dbraw/zinc/82/98/49/980829849.db2.gz QGLGFSRJKOYIFQ-AWEZNQCLSA-N 0 2 320.414 3.546 20 0 DHADLN CCc1oc(C[NH2+][C@@H](c2nc(C)cs2)C2CC2)cc1C(=O)[O-] ZINC000902316002 980829942 /nfs/dbraw/zinc/82/99/42/980829942.db2.gz QGLGFSRJKOYIFQ-CQSZACIVSA-N 0 2 320.414 3.546 20 0 DHADLN CCc1oc(C[NH2+][C@@H](C)c2c(F)cccc2F)cc1C(=O)[O-] ZINC000905726378 981124786 /nfs/dbraw/zinc/12/47/86/981124786.db2.gz BNJNVXHROCNNED-VIFPVBQESA-N 0 2 309.312 3.669 20 0 DHADLN CCCC[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1OC)C(=O)[O-] ZINC001595638769 981950623 /nfs/dbraw/zinc/95/06/23/981950623.db2.gz DYXVPHFDZSRAFX-WMLDXEAASA-N 0 2 317.385 3.611 20 0 DHADLN C[N@H+](Cc1cnc(C(C)(C)C)s1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598533752 992823046 /nfs/dbraw/zinc/82/30/46/992823046.db2.gz WTFUXLXNVYXFJS-AWEZNQCLSA-N 0 2 318.442 3.698 20 0 DHADLN C[N@@H+](Cc1cnc(C(C)(C)C)s1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598533752 992823054 /nfs/dbraw/zinc/82/30/54/992823054.db2.gz WTFUXLXNVYXFJS-AWEZNQCLSA-N 0 2 318.442 3.698 20 0 DHADLN CC(C)c1occc1C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000684570529 1015763825 /nfs/dbraw/zinc/76/38/25/1015763825.db2.gz VCKDCMTXRFOHFT-UHFFFAOYSA-N 0 2 314.320 3.580 20 0 DHADLN Cc1cccc(N(C)C(=O)c2cccc(Br)c2O)c1 ZINC000535794882 1015829001 /nfs/dbraw/zinc/82/90/01/1015829001.db2.gz JTNKKVPXOIPJOM-UHFFFAOYSA-N 0 2 320.186 3.740 20 0 DHADLN C[C@H]([NH2+]C1(c2c(F)cccc2F)CCC1)c1cc(C(=O)[O-])co1 ZINC001593209452 994237768 /nfs/dbraw/zinc/23/77/68/994237768.db2.gz KBJZBBRBOHHXNT-JTQLQIEISA-N 0 2 321.323 3.986 20 0 DHADLN C[C@@H]([NH2+]C1(c2ccccc2F)CCC1)c1ncc(C(=O)[O-])s1 ZINC001593209863 994241038 /nfs/dbraw/zinc/24/10/38/994241038.db2.gz MOOZTLCNWRSZPM-SNVBAGLBSA-N 0 2 320.389 3.710 20 0 DHADLN O=c1nc(CN(c2ccccc2)C2CCC2)[nH]c2ccsc21 ZINC000640000683 1015847801 /nfs/dbraw/zinc/84/78/01/1015847801.db2.gz IPOPZPBONJOYJV-UHFFFAOYSA-N 0 2 311.410 3.956 20 0 DHADLN O=C(Nc1ccc(F)cc1O)c1cccc(C(F)(F)F)c1O ZINC000622467525 1016425520 /nfs/dbraw/zinc/42/55/20/1016425520.db2.gz WZZRWHJAZNNIFU-UHFFFAOYSA-N 0 2 315.222 3.508 20 0 DHADLN Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)cc(C(=O)[O-])c1 ZINC001211542885 1016634014 /nfs/dbraw/zinc/63/40/14/1016634014.db2.gz RZCDZRVZLVNPEL-UHFFFAOYSA-N 0 2 307.353 3.682 20 0 DHADLN Cc1ccc([C@@H]2CCCCCN2C(=O)C(F)C(F)(F)F)o1 ZINC000277714446 1016971109 /nfs/dbraw/zinc/97/11/09/1016971109.db2.gz PENDRXVZENYRBO-JQWIXIFHSA-N 0 2 307.287 3.932 20 0 DHADLN Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H](F)C(F)(F)F)o1 ZINC000277714446 1016971116 /nfs/dbraw/zinc/97/11/16/1016971116.db2.gz PENDRXVZENYRBO-JQWIXIFHSA-N 0 2 307.287 3.932 20 0 DHADLN Cc1cccc(C)c1NS(=O)(=O)c1c(F)cccc1Cl ZINC000125306090 1032155010 /nfs/dbraw/zinc/15/50/10/1032155010.db2.gz NFVCKUJRAJGDFT-UHFFFAOYSA-N 0 2 313.781 3.897 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000277760927 1017081224 /nfs/dbraw/zinc/08/12/24/1017081224.db2.gz SFNPDTIHPPOXJB-PWSUYJOCSA-N 0 2 323.717 3.774 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CCC[C@@H]1Cc1ccccc1Cl ZINC000277760927 1017081256 /nfs/dbraw/zinc/08/12/56/1017081256.db2.gz SFNPDTIHPPOXJB-PWSUYJOCSA-N 0 2 323.717 3.774 20 0 DHADLN C[C@@H]1C[C@H](CC(=O)Nc2ccc3nn[nH]c3c2)CC(C)(C)C1 ZINC001149025650 1032458441 /nfs/dbraw/zinc/45/84/41/1032458441.db2.gz MVSQYCLTMMMODV-VXGBXAGGSA-N 0 2 300.406 3.749 20 0 DHADLN CCCc1ccccc1NS(=O)(=O)c1cc(F)ccc1F ZINC000032098462 1012424138 /nfs/dbraw/zinc/42/41/38/1012424138.db2.gz DJUDRJWYKXUELQ-UHFFFAOYSA-N 0 2 311.353 3.718 20 0 DHADLN CCc1ccc(C2=CCN(C(=O)C(F)C(F)(F)F)CC2)cc1 ZINC000290363471 1012902932 /nfs/dbraw/zinc/90/29/32/1012902932.db2.gz MOSXPTRVBQGLLM-CQSZACIVSA-N 0 2 315.310 3.765 20 0 DHADLN CCc1ccc(C2=CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)cc1 ZINC000290363471 1012902955 /nfs/dbraw/zinc/90/29/55/1012902955.db2.gz MOSXPTRVBQGLLM-CQSZACIVSA-N 0 2 315.310 3.765 20 0 DHADLN C[C@@H]1CCCC[C@H]1OCC(=O)[C@@H](C#N)c1nc2ccccc2o1 ZINC000073089537 1017152844 /nfs/dbraw/zinc/15/28/44/1017152844.db2.gz VUXQNAVPKXDIME-XJKCOSOUSA-N 0 2 312.369 3.599 20 0 DHADLN CCCc1ccccc1NS(=O)(=O)c1cc(C)ccc1F ZINC000614791821 1017460908 /nfs/dbraw/zinc/46/09/08/1017460908.db2.gz LNMJHAHDKMLDEG-UHFFFAOYSA-N 0 2 307.390 3.887 20 0 DHADLN CCS(=O)(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 ZINC000342873476 1017646430 /nfs/dbraw/zinc/64/64/30/1017646430.db2.gz JLGFTRXPHWQRPB-UHFFFAOYSA-N 0 2 318.423 3.725 20 0 DHADLN CC[C@@H](C)[C@@H]1CCCCN1C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000523457181 1017707311 /nfs/dbraw/zinc/70/73/11/1017707311.db2.gz HLCSJGBUPXYYNG-NEPJUHHUSA-N 0 2 324.494 3.690 20 0 DHADLN C[C@H](C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)C(C)(C)C ZINC000523715541 1017773784 /nfs/dbraw/zinc/77/37/84/1017773784.db2.gz NSGSIMPXVDBKLV-SECBINFHSA-N 0 2 323.849 3.901 20 0 DHADLN Cc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(O)c1 ZINC000143947046 1017847731 /nfs/dbraw/zinc/84/77/31/1017847731.db2.gz WHNQFZXYDRONHR-UHFFFAOYSA-N 0 2 312.152 3.965 20 0 DHADLN Oc1c(F)cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1F ZINC000446139465 1018069855 /nfs/dbraw/zinc/06/98/55/1018069855.db2.gz OLKAGYRDXJBGDC-UHFFFAOYSA-N 0 2 315.201 3.628 20 0 DHADLN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C(F)C(F)(F)F ZINC000764501141 1018302017 /nfs/dbraw/zinc/30/20/17/1018302017.db2.gz BSOIGHTVHLOVOQ-GXFFZTMASA-N 0 2 303.299 3.714 20 0 DHADLN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)[C@@H](F)C(F)(F)F ZINC000764501141 1018302028 /nfs/dbraw/zinc/30/20/28/1018302028.db2.gz BSOIGHTVHLOVOQ-GXFFZTMASA-N 0 2 303.299 3.714 20 0 DHADLN Cc1nc(Br)ccc1Nc1nnc(-c2ccco2)o1 ZINC001212561522 1018482153 /nfs/dbraw/zinc/48/21/53/1018482153.db2.gz VZVIZFYLSUSZEH-UHFFFAOYSA-N 0 2 321.134 3.539 20 0 DHADLN Cc1ccc(Nc2cc(Cl)c3[nH+]ccn3c2)cc1C(=O)[O-] ZINC001211596781 1018666376 /nfs/dbraw/zinc/66/63/76/1018666376.db2.gz JXWFAWPUTVBQDR-UHFFFAOYSA-N 0 2 301.733 3.738 20 0 DHADLN Cc1cscc1NS(=O)(=O)c1cc(C)cc2cccnc21 ZINC000676635560 1018790954 /nfs/dbraw/zinc/79/09/54/1018790954.db2.gz IKNXHPRHBACZES-UHFFFAOYSA-N 0 2 318.423 3.714 20 0 DHADLN Fc1ccc(/C=C/C[NH+]2CCC(n3cc[nH+]c3)CC2)c(F)c1 ZINC000349971995 1018830236 /nfs/dbraw/zinc/83/02/36/1018830236.db2.gz SIZWZEADZXYGQH-OWOJBTEDSA-N 0 2 303.356 3.512 20 0 DHADLN O=C(c1c(O)cc(F)cc1F)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000075159212 1019002574 /nfs/dbraw/zinc/00/25/74/1019002574.db2.gz UZALAFRBQCUVIW-CYBMUJFWSA-N 0 2 323.726 3.911 20 0 DHADLN CC[C@@H](Cc1ccccc1)N(C)C(=O)c1c(O)cc(F)cc1F ZINC000075453964 1019020269 /nfs/dbraw/zinc/02/02/69/1019020269.db2.gz UYTRKUCJBWOQOL-AWEZNQCLSA-N 0 2 319.351 3.764 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1C[C@H]1c1cccnc1 ZINC000159242179 1019027736 /nfs/dbraw/zinc/02/77/36/1019027736.db2.gz PSZAZCIZZGNEJY-QWRGUYRKSA-N 0 2 323.179 3.836 20 0 DHADLN O=C(Nc1cccc(F)c1O)c1cccc(C(F)(F)F)c1O ZINC001171638239 1032834926 /nfs/dbraw/zinc/83/49/26/1032834926.db2.gz SQHUSDSZOARCFL-UHFFFAOYSA-N 0 2 315.222 3.508 20 0 DHADLN CC(C)CCOc1cccc(NC(=O)c2ccc3[nH]nnc3c2)c1 ZINC000064752260 1019874294 /nfs/dbraw/zinc/87/42/94/1019874294.db2.gz JHJZXIQOXLINHH-UHFFFAOYSA-N 0 2 324.384 3.635 20 0 DHADLN CCOC(=O)c1csc(C(C#N)C(=O)C(C)(C)CC(C)C)n1 ZINC000084693615 1020175582 /nfs/dbraw/zinc/17/55/82/1020175582.db2.gz GCHGDYMVODHFNP-NSHDSACASA-N 0 2 322.430 3.568 20 0 DHADLN CCOC(=O)c1csc([C@@H](C#N)C(=O)C(C)(C)CC(C)C)n1 ZINC000084693615 1020175594 /nfs/dbraw/zinc/17/55/94/1020175594.db2.gz GCHGDYMVODHFNP-NSHDSACASA-N 0 2 322.430 3.568 20 0 DHADLN CC(C)Oc1cccc([C@@H](C)Nc2ccc(C(=O)[O-])c[nH+]2)c1 ZINC000647448581 1020434779 /nfs/dbraw/zinc/43/47/79/1020434779.db2.gz QXMSFULRYBGIFL-GFCCVEGCSA-N 0 2 300.358 3.740 20 0 DHADLN C[C@H](c1ccccc1)[C@H](C)NC(=O)c1c(O)cc(F)cc1F ZINC000673810313 1020501625 /nfs/dbraw/zinc/50/16/25/1020501625.db2.gz ZIBFRSJLBJGJGT-QWRGUYRKSA-N 0 2 305.324 3.592 20 0 DHADLN CC[C@H](c1ccc(F)cc1)S(=O)(=O)c1nc2ccccc2[nH]1 ZINC000163941691 1020626252 /nfs/dbraw/zinc/62/62/52/1020626252.db2.gz TZBZIPYZBVGEEW-OAHLLOKOSA-N 0 2 318.373 3.627 20 0 DHADLN C[C@@H](CC(=O)Nc1cc(Cl)cc(Cl)c1O)[C@H]1CCCO1 ZINC000613182351 1020845331 /nfs/dbraw/zinc/84/53/31/1020845331.db2.gz JFIULJBZZAWZNQ-QPUJVOFHSA-N 0 2 318.200 3.843 20 0 DHADLN CC(C)n1cc(NS(=O)(=O)c2ccccc2C(C)(C)C)cn1 ZINC000742030103 1021088710 /nfs/dbraw/zinc/08/87/10/1021088710.db2.gz QFPLYIZOLKBQOK-UHFFFAOYSA-N 0 2 321.446 3.562 20 0 DHADLN O=C1C[C@H]2CCC[C@@H](C1)N2Cc1cc(Cl)c(O)c(Cl)c1 ZINC001140834223 1021105198 /nfs/dbraw/zinc/10/51/98/1021105198.db2.gz KTESSYPJSASEBC-PHIMTYICSA-N 0 2 314.212 3.785 20 0 DHADLN O=S(=O)(Nc1nccs1)c1ccc(Cl)c2ccccc21 ZINC000128133813 1021197090 /nfs/dbraw/zinc/19/70/90/1021197090.db2.gz ILIKMBKHGKTAOX-UHFFFAOYSA-N 0 2 324.814 3.751 20 0 DHADLN Cc1ccc(/C=C/S(=O)(=O)Nc2nc(C3CC3)cs2)cc1 ZINC000917875956 1021385501 /nfs/dbraw/zinc/38/55/01/1021385501.db2.gz GPDRFGNLHAMJFQ-CMDGGOBGSA-N 0 2 320.439 3.742 20 0 DHADLN Cc1cccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c1Cl ZINC000166150310 1021388253 /nfs/dbraw/zinc/38/82/53/1021388253.db2.gz IWDHCKLNNLHJGC-UHFFFAOYSA-N 0 2 306.705 3.515 20 0 DHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000129643099 1021527467 /nfs/dbraw/zinc/52/74/67/1021527467.db2.gz MIWIMTXUVUFBII-IINYFYTJSA-N 0 2 311.784 3.980 20 0 DHADLN O=C(c1c(O)cc(F)cc1F)N1CCC(c2ccsc2)CC1 ZINC000188718527 1021967546 /nfs/dbraw/zinc/96/75/46/1021967546.db2.gz YMGHPWOZXGLMTN-UHFFFAOYSA-N 0 2 323.364 3.752 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCCC[C@@H]1CC1CCC1 ZINC000620569611 1022191562 /nfs/dbraw/zinc/19/15/62/1022191562.db2.gz YUIAOUUIJIOSEK-CYBMUJFWSA-N 0 2 309.356 3.855 20 0 DHADLN CC(C)(C)c1ccc(SCC(=O)NOCC(F)(F)F)cc1 ZINC000766768511 1022476463 /nfs/dbraw/zinc/47/64/63/1022476463.db2.gz MQXZBSSBOOFKFN-UHFFFAOYSA-N 0 2 321.364 3.686 20 0 DHADLN C[C@H](SCC(=O)NOCc1ccccc1)c1ccccc1F ZINC000145339427 1022871771 /nfs/dbraw/zinc/87/17/71/1022871771.db2.gz YCBJFUPASMJBKZ-ZDUSSCGKSA-N 0 2 319.401 3.868 20 0 DHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)[C@H]1CC1(Cl)Cl ZINC000770451134 1023313486 /nfs/dbraw/zinc/31/34/86/1023313486.db2.gz GAWKHQZKYWBCOK-RXMQYKEDSA-N 0 2 314.983 3.831 20 0 DHADLN Cc1oc(C(=O)[O-])cc1C[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000652389369 1023834595 /nfs/dbraw/zinc/83/45/95/1023834595.db2.gz UHMFTUOCHUDYIC-SECBINFHSA-N 0 2 309.312 3.757 20 0 DHADLN Cc1oc(C(=O)[O-])cc1C[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000652389369 1023834602 /nfs/dbraw/zinc/83/46/02/1023834602.db2.gz UHMFTUOCHUDYIC-SECBINFHSA-N 0 2 309.312 3.757 20 0 DHADLN C[C@H]1C[C@H](C(=O)NNc2nc(C(F)(F)F)cs2)C[C@@H](C)C1 ZINC000248529674 1023912991 /nfs/dbraw/zinc/91/29/91/1023912991.db2.gz DSOAWTWCENLBGG-BRPSZJMVSA-N 0 2 321.368 3.677 20 0 DHADLN C[C@H]1C[C@H](C(=O)NN=c2[nH]c(C(F)(F)F)cs2)C[C@@H](C)C1 ZINC000248529674 1023912997 /nfs/dbraw/zinc/91/29/97/1023912997.db2.gz DSOAWTWCENLBGG-BRPSZJMVSA-N 0 2 321.368 3.677 20 0 DHADLN CC[N@H+](Cc1nc(C)c(-c2ccc(Cl)cc2)o1)[C@@H](C)C(=O)[O-] ZINC000662215254 1023985623 /nfs/dbraw/zinc/98/56/23/1023985623.db2.gz IZZYAKXCQPUIPF-NSHDSACASA-N 0 2 322.792 3.598 20 0 DHADLN CC[N@@H+](Cc1nc(C)c(-c2ccc(Cl)cc2)o1)[C@@H](C)C(=O)[O-] ZINC000662215254 1023985627 /nfs/dbraw/zinc/98/56/27/1023985627.db2.gz IZZYAKXCQPUIPF-NSHDSACASA-N 0 2 322.792 3.598 20 0 DHADLN CC1(C)CN(C(=O)c2cc(F)cc(Cl)c2O)[C@H]2CCC[C@H]21 ZINC000452161607 1023991916 /nfs/dbraw/zinc/99/19/16/1023991916.db2.gz XULOAJAGHSGJHP-YPMHNXCESA-N 0 2 311.784 3.835 20 0 DHADLN CC(C)c1ccc(S(=O)(=O)Nc2ncsc2C2CC2)cc1 ZINC000882770972 1024128879 /nfs/dbraw/zinc/12/88/79/1024128879.db2.gz JEHCQSSPYKPJMS-UHFFFAOYSA-N 0 2 322.455 3.945 20 0 DHADLN CCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000268714856 1024146521 /nfs/dbraw/zinc/14/65/21/1024146521.db2.gz LWHNIWINMCGIIR-GJZGRUSLSA-N 0 2 309.417 3.501 20 0 DHADLN Cc1ccc2c(c1)CCN(C(=O)c1cccc(Cl)c1O)C2 ZINC000790987426 1024412170 /nfs/dbraw/zinc/41/21/70/1024412170.db2.gz DGGWXOWKJJIBMA-UHFFFAOYSA-N 0 2 301.773 3.553 20 0 DHADLN CC[C@@H](C)n1ncc(NC(=O)c2cccc(Cl)c2O)c1C ZINC000791584881 1024520811 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O=C(NOC1CCCCC1)C1(c2cccnc2)CC2(CCC2)C1 ZINC000879568231 1034051483 /nfs/dbraw/zinc/05/14/83/1034051483.db2.gz OJESJMJJXFMUKD-UHFFFAOYSA-N 0 2 314.429 3.664 20 0 DHADLN COc1cc(Nc2c(C)cc[nH+]c2C(C)C)ccc1C(=O)[O-] ZINC001174684148 1034547643 /nfs/dbraw/zinc/54/76/43/1034547643.db2.gz XOKYEDJKKWNMCU-UHFFFAOYSA-N 0 2 300.358 3.964 20 0 DHADLN O=C1CC(c2cccc(Cl)c2)=NN1C1CCC(F)(F)CC1 ZINC000899366521 1034614344 /nfs/dbraw/zinc/61/43/44/1034614344.db2.gz MFSDTOSYCGYRJW-UHFFFAOYSA-N 0 2 312.747 3.854 20 0 DHADLN O=c1cc(-c2cccc(Cl)c2)[nH]n1C1CCC(F)(F)CC1 ZINC000899366521 1034614347 /nfs/dbraw/zinc/61/43/47/1034614347.db2.gz MFSDTOSYCGYRJW-UHFFFAOYSA-N 0 2 312.747 3.854 20 0 DHADLN CCC[C@@H](O)CCCSCc1nc(=O)c2sccc2[nH]1 ZINC000865380721 1034618249 /nfs/dbraw/zinc/61/82/49/1034618249.db2.gz BNGOOWQSWNWPDV-SNVBAGLBSA-N 0 2 312.460 3.571 20 0 DHADLN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(F)c(O)c(F)c1 ZINC000186814288 1034663940 /nfs/dbraw/zinc/66/39/40/1034663940.db2.gz BGVVJHREZNWDOO-RISCZKNCSA-N 0 2 317.335 3.689 20 0 DHADLN O=C(CSc1ccccc1Cl)NOCc1ccccc1 ZINC000025035821 1034740080 /nfs/dbraw/zinc/74/00/80/1034740080.db2.gz NDBXFERNXYKDMR-UHFFFAOYSA-N 0 2 307.802 3.680 20 0 DHADLN Cc1cn2c(cccc2Nc2ccc(C(=O)[O-])c(Cl)c2)[nH+]1 ZINC001175313386 1034929644 /nfs/dbraw/zinc/92/96/44/1034929644.db2.gz ALXKOMMGNZZMLS-UHFFFAOYSA-N 0 2 301.733 3.738 20 0 DHADLN Cc1cccc([C@H](C)C[NH2+][C@@H](c2cn[nH]n2)c2ccc(F)cc2)c1 ZINC000555903569 1034957287 /nfs/dbraw/zinc/95/72/87/1034957287.db2.gz KMXLTCOFHKSKJA-AUUYWEPGSA-N 0 2 324.403 3.735 20 0 DHADLN Cc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1Cl ZINC000194590024 1035222303 /nfs/dbraw/zinc/22/23/03/1035222303.db2.gz JLQNIYQTKQGCGE-OAHLLOKOSA-N 0 2 317.864 3.837 20 0 DHADLN COc1c(Cl)cc(-n2[nH]c(=O)c3ccc(N)cc32)cc1Cl ZINC001176312488 1035250388 /nfs/dbraw/zinc/25/03/88/1035250388.db2.gz PEAGERDFMNKXKB-UHFFFAOYSA-N 0 2 324.167 3.629 20 0 DHADLN Cc1cn2cccc(Nc3ccc(C4(C(=O)[O-])CC4)cc3)c2[nH+]1 ZINC001176582284 1035289921 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Cc1cnc(NS(=O)(=O)c2cccc3c(Cl)cccc32)o1 ZINC001194403092 1035923064 /nfs/dbraw/zinc/92/30/64/1035923064.db2.gz HKGJGYAKGLYRFO-UHFFFAOYSA-N 0 2 322.773 3.590 20 0 DHADLN Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)cc1O ZINC000227052290 1036033961 /nfs/dbraw/zinc/03/39/61/1036033961.db2.gz WCCHCOUGGXJNNP-UHFFFAOYSA-N 0 2 312.152 3.965 20 0 DHADLN O=C(NCc1cccc(Cl)c1)c1cc(F)cc(Cl)c1O ZINC001182129216 1036101839 /nfs/dbraw/zinc/10/18/39/1036101839.db2.gz QTHGJSUEONYIEN-UHFFFAOYSA-N 0 2 314.143 3.768 20 0 DHADLN CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(Cl)c1O ZINC000775643213 1036160456 /nfs/dbraw/zinc/16/04/56/1036160456.db2.gz NZOZKNYIXMJUIP-UHFFFAOYSA-N 0 2 310.180 3.971 20 0 DHADLN COc1ccc([C@H](C)NC(=O)c2cccc(Cl)c2O)cc1F ZINC000775645686 1036173869 /nfs/dbraw/zinc/17/38/69/1036173869.db2.gz DTHUAGUXZBSBBT-VIFPVBQESA-N 0 2 323.751 3.684 20 0 DHADLN Cc1ccc(OCCN(C)C(=O)c2cccc(Cl)c2O)cc1 ZINC000775645202 1036182857 /nfs/dbraw/zinc/18/28/57/1036182857.db2.gz ZPBCPZGXOBOJIH-UHFFFAOYSA-N 0 2 319.788 3.505 20 0 DHADLN CC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2O)c1C ZINC000775653625 1036235637 /nfs/dbraw/zinc/23/56/37/1036235637.db2.gz KOIHYMIRCCBIPV-UHFFFAOYSA-N 0 2 318.760 3.565 20 0 DHADLN O=C(c1cccc(Cl)c1O)N(Cc1cccc(F)c1)C1CC1 ZINC000775657158 1036256546 /nfs/dbraw/zinc/25/65/46/1036256546.db2.gz WFWUDMVRKPEONM-UHFFFAOYSA-N 0 2 319.763 3.990 20 0 DHADLN O=C(c1cccc(Cl)c1O)N1CCCc2cc(F)ccc21 ZINC000775660310 1036266773 /nfs/dbraw/zinc/26/67/73/1036266773.db2.gz CWNLFRHWJRCCAU-UHFFFAOYSA-N 0 2 305.736 3.778 20 0 DHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)[C@@H]1Cc2ccccc21 ZINC000230871823 1036403017 /nfs/dbraw/zinc/40/30/17/1036403017.db2.gz ILDQGLVGPYGOQA-LLVKDONJSA-N 0 2 308.164 3.977 20 0 DHADLN C[C@@H](CN(C)C(=O)c1cccc(Cl)c1O)c1ccccc1 ZINC000775698598 1036474030 /nfs/dbraw/zinc/47/40/30/1036474030.db2.gz OWEQLZUEZUJALB-LBPRGKRZSA-N 0 2 303.789 3.921 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2C)c(F)c1 ZINC001196382575 1036516777 /nfs/dbraw/zinc/51/67/77/1036516777.db2.gz HHDJVPAGVBEHRV-UHFFFAOYSA-N 0 2 315.316 3.522 20 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323.820 3.611 20 0 DHADLN COC1(CC(=O)Nc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000234622839 1036819965 /nfs/dbraw/zinc/81/99/65/1036819965.db2.gz MVMZJLWOEUANAO-UHFFFAOYSA-N 0 2 304.173 3.597 20 0 DHADLN CCCCn1ncc(NC(=O)c2cccc(Cl)c2O)c1C ZINC000775782957 1036853927 /nfs/dbraw/zinc/85/39/27/1036853927.db2.gz PDSVFPCRRKKTNV-UHFFFAOYSA-N 0 2 307.781 3.603 20 0 DHADLN Cc1cc(NS(=O)(=O)c2cccnc2Cl)ccc1C(C)C ZINC001184867365 1036965784 /nfs/dbraw/zinc/96/57/84/1036965784.db2.gz UWOFOKJUPVAFIP-UHFFFAOYSA-N 0 2 324.833 3.968 20 0 DHADLN CC(C)Cc1ccc(NS(=O)(=O)c2cccnc2Cl)cc1 ZINC001184879174 1036969642 /nfs/dbraw/zinc/96/96/42/1036969642.db2.gz XNNSETNFVLKANC-UHFFFAOYSA-N 0 2 324.833 3.734 20 0 DHADLN CC[C@H](C)[N@H+](CC(=O)[O-])Cc1nc2ccccc2c(C)c1Cl ZINC000236967221 1036988423 /nfs/dbraw/zinc/98/84/23/1036988423.db2.gz QGTXWNMSBFSVOY-NSHDSACASA-N 0 2 320.820 3.882 20 0 DHADLN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1nc2ccccc2c(C)c1Cl ZINC000236967221 1036988434 /nfs/dbraw/zinc/98/84/34/1036988434.db2.gz QGTXWNMSBFSVOY-NSHDSACASA-N 0 2 320.820 3.882 20 0 DHADLN CC[C@H](C)Oc1cccc(NS(=O)(=O)c2ccccc2F)c1 ZINC000316012379 1037065475 /nfs/dbraw/zinc/06/54/75/1037065475.db2.gz ZWACKTHCFIFGLW-LBPRGKRZSA-N 0 2 323.389 3.804 20 0 DHADLN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cccc(Cl)c1O ZINC000775941710 1037215415 /nfs/dbraw/zinc/21/54/15/1037215415.db2.gz JYUYMZPAYFZMQF-PSASIEDQSA-N 0 2 321.726 3.849 20 0 DHADLN CCCCCc1ccc(NS(=O)(=O)c2cnoc2C)cc1 ZINC001187380269 1037626974 /nfs/dbraw/zinc/62/69/74/1037626974.db2.gz ZLXCKCZLZFFDOZ-UHFFFAOYSA-N 0 2 308.403 3.517 20 0 DHADLN O=C(Cc1ccccc1O)Nc1cc(Cl)cc(Cl)c1O ZINC000220549380 1037944318 /nfs/dbraw/zinc/94/43/18/1037944318.db2.gz ZPOVEIAQJNNFKE-UHFFFAOYSA-N 0 2 312.152 3.586 20 0 DHADLN Cc1ccccc1[C@@H]1CCN(C(=O)c2c(O)cc(F)cc2F)C1 ZINC000586759465 1037953618 /nfs/dbraw/zinc/95/36/18/1037953618.db2.gz LJVNQZUOTJNKEV-GFCCVEGCSA-N 0 2 317.335 3.609 20 0 DHADLN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccsc1 ZINC001191663768 1038530301 /nfs/dbraw/zinc/53/03/01/1038530301.db2.gz YQJPSBQVQRHLLM-UHFFFAOYSA-N 0 2 311.428 3.681 20 0 DHADLN COc1ccc([C@H](C)N(C)C(=O)c2cc(F)c(O)cc2F)cc1 ZINC001192866588 1038706595 /nfs/dbraw/zinc/70/65/95/1038706595.db2.gz HPTQFJJMEZYSRY-JTQLQIEISA-N 0 2 321.323 3.512 20 0 DHADLN O=C(NC1CCC(C(F)(F)F)CC1)c1ccc(O)c(F)c1F ZINC001192842486 1038707743 /nfs/dbraw/zinc/70/77/43/1038707743.db2.gz JABSTCWZAFGLGF-UHFFFAOYSA-N 0 2 323.261 3.521 20 0 DHADLN CC(C)[C@@H](NC(=O)c1ccc(O)c(F)c1F)c1ccc(F)cc1 ZINC001192841655 1038708367 /nfs/dbraw/zinc/70/83/67/1038708367.db2.gz BBOOKAACRVPHDN-MRXNPFEDSA-N 0 2 323.314 3.937 20 0 DHADLN CCOc1ccccc1[C@H](C)N=c1nc(C(C)(C)C)[nH]s1 ZINC000477557302 1038755632 /nfs/dbraw/zinc/75/56/32/1038755632.db2.gz ZYWQHOXOIKLWRX-NSHDSACASA-N 0 2 305.447 3.829 20 0 DHADLN Cc1ccccc1-c1noc(C(=O)Nc2c(F)cccc2F)n1 ZINC001212171271 1039169000 /nfs/dbraw/zinc/16/90/00/1039169000.db2.gz SMORZWATQOKUAW-UHFFFAOYSA-N 0 2 315.279 3.576 20 0 DHADLN O=c1nc(Cc2nc3cc(F)ccc3s2)[nH]c2ccsc21 ZINC000592888399 1039293105 /nfs/dbraw/zinc/29/31/05/1039293105.db2.gz WDGXMYNVACKSHJ-UHFFFAOYSA-N 0 2 317.370 3.737 20 0 DHADLN Cc1csc(CSCC(=O)N2CCC[C@@H]3CCCC[C@H]32)n1 ZINC000088308795 185245105 /nfs/dbraw/zinc/24/51/05/185245105.db2.gz JFJJPGUTMWOOAL-UONOGXRCSA-N 0 2 324.515 3.866 20 0 DHADLN Cc1ccc(C(C)(C)C)cc1S(O)=CC(=O)N[C@@H](C)C(C)C ZINC000107959025 185497148 /nfs/dbraw/zinc/49/71/48/185497148.db2.gz KBKZFBHIGOOPAJ-RCDICMHDSA-N 0 2 323.502 3.561 20 0 DHADLN O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(Cl)cc1F ZINC000016101365 182034221 /nfs/dbraw/zinc/03/42/21/182034221.db2.gz JDQPMLMRWPEYEE-UHFFFAOYSA-N 0 2 320.172 3.933 20 0 DHADLN CC(C)[C@H](C)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000498066250 335031885 /nfs/dbraw/zinc/03/18/85/335031885.db2.gz DVZKREHSSGMEEH-VIFPVBQESA-N 0 2 309.822 3.511 20 0 DHADLN CC1(C)CN(C(=O)c2cc(F)c(O)c(F)c2)[C@@H]1c1cccs1 ZINC000288586857 131331645 /nfs/dbraw/zinc/33/16/45/131331645.db2.gz LEGHLAABJOIOTF-CQSZACIVSA-N 0 2 323.364 3.955 20 0 DHADLN 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1027004013 /nfs/dbraw/zinc/00/40/13/1027004013.db2.gz QIXDHKKYRMGJSA-YNEHKIRRSA-N 0 2 303.299 3.729 20 0 DHADLN O=C(N[C@@H]1CCC[C@H](c2ccccc2)C1)[C@@H](F)C(F)(F)F ZINC000811454732 1027004023 /nfs/dbraw/zinc/00/40/23/1027004023.db2.gz QIXDHKKYRMGJSA-YNEHKIRRSA-N 0 2 303.299 3.729 20 0 DHADLN O=C(NOC1CCC1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000812789321 1027407597 /nfs/dbraw/zinc/40/75/97/1027407597.db2.gz VEYUKSPSEHWTRI-UHFFFAOYSA-N 0 2 317.772 3.927 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000365640975 1027989775 /nfs/dbraw/zinc/98/97/75/1027989775.db2.gz DVHHMNOZSKZAAX-GXFFZTMASA-N 0 2 321.289 3.822 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000365640975 1027989787 /nfs/dbraw/zinc/98/97/87/1027989787.db2.gz DVHHMNOZSKZAAX-GXFFZTMASA-N 0 2 321.289 3.822 20 0 DHADLN COc1ccc([C@H]2CCCN2C(=O)C(F)C(F)(F)F)cc1C ZINC000365637909 1027990381 /nfs/dbraw/zinc/99/03/81/1027990381.db2.gz WWHSAPGLHMDPQG-YPMHNXCESA-N 0 2 319.298 3.568 20 0 DHADLN COc1ccc([C@H]2CCCN2C(=O)[C@H](F)C(F)(F)F)cc1C ZINC000365637909 1027990400 /nfs/dbraw/zinc/99/04/00/1027990400.db2.gz WWHSAPGLHMDPQG-YPMHNXCESA-N 0 2 319.298 3.568 20 0 DHADLN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)C(F)C(F)(F)F)c1 ZINC000365634737 1027991002 /nfs/dbraw/zinc/99/10/02/1027991002.db2.gz MGZQPYIUYHOMFP-JIMOISOXSA-N 0 2 319.298 3.505 20 0 DHADLN COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)[C@@H](F)C(F)(F)F)c1 ZINC000365634737 1027991011 /nfs/dbraw/zinc/99/10/11/1027991011.db2.gz MGZQPYIUYHOMFP-JIMOISOXSA-N 0 2 319.298 3.505 20 0 DHADLN Cc1cccc(C2=CCN(C(=O)C(F)C(F)(F)F)CC2)c1 ZINC000365694421 1027993409 /nfs/dbraw/zinc/99/34/09/1027993409.db2.gz ZZTBPBPSWYUMBL-ZDUSSCGKSA-N 0 2 301.283 3.511 20 0 DHADLN Cc1cccc(C2=CCN(C(=O)[C@H](F)C(F)(F)F)CC2)c1 ZINC000365694421 1027993421 /nfs/dbraw/zinc/99/34/21/1027993421.db2.gz ZZTBPBPSWYUMBL-ZDUSSCGKSA-N 0 2 301.283 3.511 20 0 DHADLN Cc1ccccc1-c1nsc(NCC[C@@H]2CCO[C@@H](C)C2)n1 ZINC000527962532 1028005862 /nfs/dbraw/zinc/00/58/62/1028005862.db2.gz OFDKKDCZRPLAHN-UONOGXRCSA-N 0 2 317.458 3.553 20 0 DHADLN Cc1csc(C(C#N)C(=O)Cc2ccc(-n3cccc3)cc2)n1 ZINC000041515561 1028741032 /nfs/dbraw/zinc/74/10/32/1028741032.db2.gz FMWDMNHZBNKZGC-MRXNPFEDSA-N 0 2 321.405 3.661 20 0 DHADLN Cc1csc([C@H](C#N)C(=O)Cc2ccc(-n3cccc3)cc2)n1 ZINC000041515561 1028741044 /nfs/dbraw/zinc/74/10/44/1028741044.db2.gz FMWDMNHZBNKZGC-MRXNPFEDSA-N 0 2 321.405 3.661 20 0 DHADLN COc1ccc(C2(C(=O)NOC3CCCCC3)CCCC2)cc1 ZINC000779316551 1029093713 /nfs/dbraw/zinc/09/37/13/1029093713.db2.gz FTPFXHPIYTWVIE-UHFFFAOYSA-N 0 2 317.429 3.888 20 0 DHADLN O=C(NOCCC1CC1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000817416804 1029154752 /nfs/dbraw/zinc/15/47/52/1029154752.db2.gz VMKXZEPVLKPSSD-UHFFFAOYSA-N 0 2 313.319 3.585 20 0 DHADLN C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)C(F)C(F)(F)F ZINC000817461687 1029159577 /nfs/dbraw/zinc/15/95/77/1029159577.db2.gz VGCLXHXMSQRFCN-JSGCOSHPSA-N 0 2 321.289 3.650 20 0 DHADLN C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)[C@H](F)C(F)(F)F ZINC000817461687 1029159583 /nfs/dbraw/zinc/15/95/83/1029159583.db2.gz VGCLXHXMSQRFCN-JSGCOSHPSA-N 0 2 321.289 3.650 20 0 DHADLN N#C[C@@H](C(=O)Cc1cccc(Cl)c1)c1cnc2ccccc2n1 ZINC000190995546 1029239763 /nfs/dbraw/zinc/23/97/63/1029239763.db2.gz FACATKQHBYVUHX-CQSZACIVSA-N 0 2 321.767 3.702 20 0 DHADLN CCN(Cc1occc1C)C(=O)c1cc(F)cc(Cl)c1O ZINC000412792424 1029525128 /nfs/dbraw/zinc/52/51/28/1029525128.db2.gz UGBRYTAUUDECJC-UHFFFAOYSA-N 0 2 311.740 3.748 20 0 DHADLN CO[C@H](C)c1nsc(NC[C@H]2CCC[C@@H]2c2ccccc2)n1 ZINC000450610633 1029575806 /nfs/dbraw/zinc/57/58/06/1029575806.db2.gz HBNKNKXTUCHNJV-BPLDGKMQSA-N 0 2 317.458 3.663 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCCC[C@H]1Cc1ccccc1 ZINC000290316762 1029994470 /nfs/dbraw/zinc/99/44/70/1029994470.db2.gz HRGWPLGMCCPGPE-QWHCGFSZSA-N 0 2 303.299 3.511 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCCC[C@H]1Cc1ccccc1 ZINC000290316762 1029994485 /nfs/dbraw/zinc/99/44/85/1029994485.db2.gz HRGWPLGMCCPGPE-QWHCGFSZSA-N 0 2 303.299 3.511 20 0 DHADLN C[C@@]1(Cc2ccccc2)CCCN1C(=O)C(F)C(F)(F)F ZINC000290615543 1030130200 /nfs/dbraw/zinc/13/02/00/1030130200.db2.gz BTOSDVQBNFUKCJ-JSGCOSHPSA-N 0 2 303.299 3.511 20 0 DHADLN C[C@@]1(Cc2ccccc2)CCCN1C(=O)[C@H](F)C(F)(F)F ZINC000290615543 1030130203 /nfs/dbraw/zinc/13/02/03/1030130203.db2.gz BTOSDVQBNFUKCJ-JSGCOSHPSA-N 0 2 303.299 3.511 20 0 DHADLN C[C@H](N[C@H]1CC[N@@H+](C2CC2)C1)c1nc(-c2ccccc2)cs1 ZINC000358083705 1030315882 /nfs/dbraw/zinc/31/58/82/1030315882.db2.gz QJPXJJNJVGBTEA-ZFWWWQNUSA-N 0 2 313.470 3.697 20 0 DHADLN CCCN(C(=O)c1cc(Br)cc(F)c1O)C(C)C ZINC000869186263 1030716390 /nfs/dbraw/zinc/71/63/90/1030716390.db2.gz APSXMGXQXPKOCG-UHFFFAOYSA-N 0 2 318.186 3.554 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000844102341 1030961188 /nfs/dbraw/zinc/96/11/88/1030961188.db2.gz BEZFHFRQGHZFHR-OLZOCXBDSA-N 0 2 313.294 3.807 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CC2(CC=CC2)[C@@H]1c1ccccc1 ZINC000844102341 1030961194 /nfs/dbraw/zinc/96/11/94/1030961194.db2.gz BEZFHFRQGHZFHR-OLZOCXBDSA-N 0 2 313.294 3.807 20 0 DHADLN CCCCC1=NN(c2ncnc(Cl)c2C(C)C)C(=O)[C@H]1C ZINC000871956885 1031386181 /nfs/dbraw/zinc/38/61/81/1031386181.db2.gz HHNQGWHCQKOVJQ-JTQLQIEISA-N 0 2 308.813 3.782 20 0 DHADLN CCN(Cc1ccc(OC)cc1)Cc1cc(F)c(O)cc1F ZINC001144659473 1031811445 /nfs/dbraw/zinc/81/14/45/1031811445.db2.gz KAZULQYCFQATMR-UHFFFAOYSA-N 0 2 307.340 3.701 20 0 DHADLN C[C@H]1C[C@@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CCC1=O ZINC000361318589 1031859122 /nfs/dbraw/zinc/85/91/22/1031859122.db2.gz NNXQBNYVTCYHCY-YUMQZZPRSA-N 0 2 316.184 3.643 20 0 DHADLN O=C(N[C@@H]1CCCc2sccc21)c1cc(F)c(O)c(F)c1 ZINC000137398038 1033329361 /nfs/dbraw/zinc/32/93/61/1033329361.db2.gz LKMJILVSXMXCCH-GFCCVEGCSA-N 0 2 309.337 3.539 20 0 DHADLN COc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)ccc1[S-] ZINC001212699229 1033495923 /nfs/dbraw/zinc/49/59/23/1033495923.db2.gz VFGCNFCFCFDPHZ-UHFFFAOYSA-N 0 2 311.410 3.972 20 0 DHADLN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2nnc(C(C)C)o2)cc1 ZINC000153622599 1033584834 /nfs/dbraw/zinc/58/48/34/1033584834.db2.gz YDXHSYSURVZJMD-LLVKDONJSA-N 0 2 323.418 3.507 20 0 DHADLN O=C([O-])C1=CC[C@@H](Nc2[nH+]ccc3cc(C(F)(F)F)ccc32)C1 ZINC000863481145 1034108092 /nfs/dbraw/zinc/10/80/92/1034108092.db2.gz ZXPSUWFMWNBFMP-GFCCVEGCSA-N 0 2 322.286 3.839 20 0 DHADLN CCc1c(NS(=O)(=O)c2ccccc2)cnn1C(CC)CC ZINC000480233340 1034145306 /nfs/dbraw/zinc/14/53/06/1034145306.db2.gz UNBPQWGJPXJPGP-UHFFFAOYSA-N 0 2 321.446 3.607 20 0 DHADLN COc1ccc(C(F)(F)F)cc1Nc1cc(=O)[nH]c(Cl)n1 ZINC001174776497 1034600599 /nfs/dbraw/zinc/60/05/99/1034600599.db2.gz SAEHZZNIOBTJQT-UHFFFAOYSA-N 0 2 319.670 3.607 20 0 DHADLN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)c1cc(F)c(O)c(F)c1 ZINC000186856023 1034665760 /nfs/dbraw/zinc/66/57/60/1034665760.db2.gz LPWWKIPGAHKHGQ-SMDDNHRTSA-N 0 2 317.335 3.689 20 0 DHADLN O=C(Cc1coc2cc3c(cc12)CCC3)NOc1ccccc1 ZINC000773462003 1034821354 /nfs/dbraw/zinc/82/13/54/1034821354.db2.gz PDKDSAOALNEQLW-UHFFFAOYSA-N 0 2 307.349 3.574 20 0 DHADLN CN(C)c1cc[nH+]cc1CN[C@@H]1CCSc2c(F)cccc21 ZINC001177231109 1035358040 /nfs/dbraw/zinc/35/80/40/1035358040.db2.gz ASVSPNUPHRUCJW-OAHLLOKOSA-N 0 2 317.433 3.613 20 0 DHADLN Cc1cc(NS(=O)(=O)c2ccc(Cl)s2)ccc1F ZINC000485099788 1035471686 /nfs/dbraw/zinc/47/16/86/1035471686.db2.gz KWBMSWRVWOTXID-UHFFFAOYSA-N 0 2 305.783 3.650 20 0 DHADLN O=S(=O)(Nc1ccccn1)c1ccc(-c2cccs2)cc1 ZINC001194131461 1035836786 /nfs/dbraw/zinc/83/67/86/1035836786.db2.gz YPOHIYHOEUBSSP-UHFFFAOYSA-N 0 2 316.407 3.611 20 0 DHADLN O=S(=O)(Nc1nccs1)c1cccc2c(Cl)cccc21 ZINC001194402501 1035922546 /nfs/dbraw/zinc/92/25/46/1035922546.db2.gz CBCSBDBWLSUJQD-UHFFFAOYSA-N 0 2 324.814 3.751 20 0 DHADLN O=S(=O)(Nc1ccoc1)c1cccc2c(Cl)cccc21 ZINC001194414248 1035924566 /nfs/dbraw/zinc/92/45/66/1035924566.db2.gz YOLYUKOQDFQPMN-UHFFFAOYSA-N 0 2 307.758 3.887 20 0 DHADLN CC[C@@H]([NH2+]c1ccc(N2CC[NH+](CC)CC2)cc1C)C1CC1 ZINC000540707626 1036133066 /nfs/dbraw/zinc/13/30/66/1036133066.db2.gz LAWHWRDVXRNCRB-GOSISDBHSA-N 0 2 301.478 3.737 20 0 DHADLN O=C(NCCSc1ccccc1)c1cccc(Cl)c1O ZINC000775646892 1036192036 /nfs/dbraw/zinc/19/20/36/1036192036.db2.gz PTVAEFCBJFFZHC-UHFFFAOYSA-N 0 2 307.802 3.568 20 0 DHADLN CCN(C(=O)c1cccc(Cl)c1O)c1ccccc1OC ZINC000775681006 1036412898 /nfs/dbraw/zinc/41/28/98/1036412898.db2.gz MGISHPPJDHCKPE-UHFFFAOYSA-N 0 2 305.761 3.721 20 0 DHADLN O=C(Nc1ccc2scnc2c1)c1cccc(Cl)c1O ZINC000775692541 1036469855 /nfs/dbraw/zinc/46/98/55/1036469855.db2.gz LKIPXSHJLCVOSJ-UHFFFAOYSA-N 0 2 304.758 3.908 20 0 DHADLN CCc1cccnc1-c1noc(-c2cccc(Cl)c2O)n1 ZINC000762113176 1036524022 /nfs/dbraw/zinc/52/40/22/1036524022.db2.gz HZYIFPQMOFIHIZ-UHFFFAOYSA-N 0 2 301.733 3.720 20 0 DHADLN O=S(=O)(Nc1cnsc1)c1ccc2cc(Cl)ccc2c1 ZINC001196416421 1036530405 /nfs/dbraw/zinc/53/04/05/1036530405.db2.gz IEYHKYIQLSGACJ-UHFFFAOYSA-N 0 2 324.814 3.751 20 0 DHADLN Cc1ccc2c(c1)N(C(=O)c1cccc(Cl)c1O)CCC2 ZINC000775733021 1036586919 /nfs/dbraw/zinc/58/69/19/1036586919.db2.gz SRHHBQKIYXZNJB-UHFFFAOYSA-N 0 2 301.773 3.947 20 0 DHADLN CCCc1ccc(NS(=O)(=O)c2cc(OC)ccc2F)cc1 ZINC001196720148 1036598200 /nfs/dbraw/zinc/59/82/00/1036598200.db2.gz ZDNRNOSTLHOZKG-UHFFFAOYSA-N 0 2 323.389 3.588 20 0 DHADLN CCOc1ccc(N(C)C(=O)c2cccc(Cl)c2O)cc1 ZINC000775754153 1036664850 /nfs/dbraw/zinc/66/48/50/1036664850.db2.gz TWLFWQPWAMJVIP-UHFFFAOYSA-N 0 2 305.761 3.721 20 0 DHADLN CO[C@H]1CCCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000495501863 1036690138 /nfs/dbraw/zinc/69/01/38/1036690138.db2.gz LPSSHUBBBFICFI-SKDRFNHKSA-N 0 2 318.200 3.843 20 0 DHADLN CC[C@@H](C)C(=O)C(=O)Nc1cc(Cl)c(C)c(Cl)c1O ZINC001184320943 1036808815 /nfs/dbraw/zinc/80/88/15/1036808815.db2.gz GXSAOUUKZYSBLW-ZCFIWIBFSA-N 0 2 304.173 3.561 20 0 DHADLN CC(C)CCn1ccc(NC(=O)c2cccc(Cl)c2O)n1 ZINC000775780531 1036832922 /nfs/dbraw/zinc/83/29/22/1036832922.db2.gz NJPJBPIPIJIWJK-UHFFFAOYSA-N 0 2 307.781 3.541 20 0 DHADLN CC(C)Oc1cc(O)ccc1NC(=O)c1cccc(Cl)c1O ZINC000762698056 1036912825 /nfs/dbraw/zinc/91/28/25/1036912825.db2.gz UALNJUTVQGEKCU-UHFFFAOYSA-N 0 2 321.760 3.791 20 0 DHADLN COc1cc(Nc2ccc[nH+]c2N2CCCC2)ccc1[S-] ZINC001185043867 1037015898 /nfs/dbraw/zinc/01/58/98/1037015898.db2.gz PAJUCPPECGKOHH-UHFFFAOYSA-N 0 2 301.415 3.723 20 0 DHADLN C[C@@H](NC(=O)c1cccc(Cl)c1O)c1cccc(F)c1F ZINC001127277388 1037361576 /nfs/dbraw/zinc/36/15/76/1037361576.db2.gz CABMVHZEGXPBMS-MRVPVSSYSA-N 0 2 311.715 3.815 20 0 DHADLN Cc1nc([C@H]2CCCN2C(=O)c2cccc(Cl)c2O)cs1 ZINC000775100861 1037593757 /nfs/dbraw/zinc/59/37/57/1037593757.db2.gz KYRFVFCSCBLZCX-CYBMUJFWSA-N 0 2 322.817 3.788 20 0 DHADLN Cc1ccc(F)cc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000185166703 1037781844 /nfs/dbraw/zinc/78/18/44/1037781844.db2.gz MLPJASYEDDXBJQ-UHFFFAOYSA-N 0 2 322.336 3.555 20 0 DHADLN CC(C)(C)Sc1ccccc1NS(=O)(=O)c1ccoc1 ZINC001188614035 1037931421 /nfs/dbraw/zinc/93/14/21/1037931421.db2.gz DEOLXHJXHYRGGF-UHFFFAOYSA-N 0 2 311.428 3.971 20 0 DHADLN Cc1ccccc1[C@H]1CCN(C(=O)c2c(O)cc(F)cc2F)C1 ZINC000586759466 1037952833 /nfs/dbraw/zinc/95/28/33/1037952833.db2.gz LJVNQZUOTJNKEV-LBPRGKRZSA-N 0 2 317.335 3.609 20 0 DHADLN O=C(C(F)C(F)(F)F)N(Cc1ccccc1F)C1CCC1 ZINC001127103241 1038181550 /nfs/dbraw/zinc/18/15/50/1038181550.db2.gz OECKOUMZZBDFDU-LBPRGKRZSA-N 0 2 307.262 3.607 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N(Cc1ccccc1F)C1CCC1 ZINC001127103241 1038181558 /nfs/dbraw/zinc/18/15/58/1038181558.db2.gz OECKOUMZZBDFDU-LBPRGKRZSA-N 0 2 307.262 3.607 20 0 DHADLN COc1ccc([C@@H](C)N(C)C(=O)c2c(F)ccc(F)c2O)cc1 ZINC001192703511 1038693949 /nfs/dbraw/zinc/69/39/49/1038693949.db2.gz YKFHGKAJVGSOIH-SNVBAGLBSA-N 0 2 321.323 3.512 20 0 DHADLN CN(C(=O)c1c(F)ccc(F)c1O)C(C)(C)Cc1ccccc1 ZINC001192706420 1038694838 /nfs/dbraw/zinc/69/48/38/1038694838.db2.gz LEBYQDUETKRBJN-UHFFFAOYSA-N 0 2 319.351 3.764 20 0 DHADLN COc1ccc([C@@H](C)N(C)C(=O)c2ccc(F)c(F)c2O)cc1 ZINC001192806747 1038701893 /nfs/dbraw/zinc/70/18/93/1038701893.db2.gz KITZIAIBINPUJX-SNVBAGLBSA-N 0 2 321.323 3.512 20 0 DHADLN O=C(c1ccc(O)c(F)c1F)N1CCC[C@H]1C1CCCCC1 ZINC001192833413 1038706719 /nfs/dbraw/zinc/70/67/19/1038706719.db2.gz RMLWIJCJSZGWGK-ZDUSSCGKSA-N 0 2 309.356 3.855 20 0 DHADLN C[C@@H]1C[C@@H](NC(=O)c2cc(F)c(O)cc2F)c2ccccc21 ZINC001192877582 1038708067 /nfs/dbraw/zinc/70/80/67/1038708067.db2.gz USFOTLFEGDALOU-RFAUZJTJSA-N 0 2 303.308 3.649 20 0 DHADLN C[C@H]1C[C@@H](NC(=O)c2ccc(O)c(F)c2F)c2ccccc21 ZINC001192843244 1038708152 /nfs/dbraw/zinc/70/81/52/1038708152.db2.gz SRRWGMVYYQKVAM-TVQRCGJNSA-N 0 2 303.308 3.649 20 0 DHADLN CC1(CNC(=O)c2ccc(O)c(F)c2F)CCC(F)(F)CC1 ZINC001192848284 1038708278 /nfs/dbraw/zinc/70/82/78/1038708278.db2.gz DJWCKDDZRGWLEC-UHFFFAOYSA-N 0 2 319.298 3.616 20 0 DHADLN O=C(Nc1ccccc1OCC1CC1)c1cc(F)c(O)cc1F ZINC001192879259 1038716348 /nfs/dbraw/zinc/71/63/48/1038716348.db2.gz DBOUSVJBPQIWEV-UHFFFAOYSA-N 0 2 319.307 3.712 20 0 DHADLN C[C@H](CC(=O)N=c1nc(C(C)(C)C)[nH]s1)c1cccc(F)c1 ZINC000604704857 1039521135 /nfs/dbraw/zinc/52/11/35/1039521135.db2.gz FDTCSLHKOLWYFV-SNVBAGLBSA-N 0 2 321.421 3.529 20 0 DHADLN CC(C)(CNC(=O)c1c(O)cc(F)cc1F)c1cccc(F)c1 ZINC000605335085 1039663875 /nfs/dbraw/zinc/66/38/75/1039663875.db2.gz 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/nfs/dbraw/zinc/03/49/07/182034907.db2.gz WMDKQORDDAZAIA-UHFFFAOYSA-N 0 2 319.279 3.645 20 0 DHADLN O=C(Nc1ccccc1N1CCCC1)c1c(O)cc(F)cc1F ZINC000066043734 184385078 /nfs/dbraw/zinc/38/50/78/184385078.db2.gz GGVUOIZADFVZER-UHFFFAOYSA-N 0 2 318.323 3.523 20 0 DHADLN O=C(c1cc(F)c(F)c(O)c1F)N1CCC2(CCCC2)CC1 ZINC000272622367 130046375 /nfs/dbraw/zinc/04/63/75/130046375.db2.gz RHIBKFYDQUFOLF-UHFFFAOYSA-N 0 2 313.319 3.606 20 0 DHADLN Cc1ccc(C[NH2+][C@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)nc1 ZINC000340690317 132158324 /nfs/dbraw/zinc/15/83/24/132158324.db2.gz KXIORPVRPRZYPZ-YLJYHZDGSA-N 0 2 324.424 3.603 20 0 DHADLN Fc1ccc(C[N@H+](CCCn2cc[nH+]c2)C2CCCC2)c(F)c1 ZINC000343318773 335074976 /nfs/dbraw/zinc/07/49/76/335074976.db2.gz BISGBDWOVIRJGO-UHFFFAOYSA-N 0 2 319.399 3.996 20 0 DHADLN CCN(C(=O)[C@@H](C)Cc1ccc(OC)c(OC)c1)[C@@H](C)C(C)C ZINC000180605156 331574435 /nfs/dbraw/zinc/57/44/35/331574435.db2.gz FZJGDPVMEPDUAQ-GJZGRUSLSA-N 0 2 321.461 3.775 20 0 DHADLN 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CCc1n[nH]c(NS(=O)(=O)c2ccc([C@H](C)CC)cc2)c1C ZINC000438226185 338337176 /nfs/dbraw/zinc/33/71/76/338337176.db2.gz VDMAAXBHJFAZDQ-LLVKDONJSA-N 0 2 321.446 3.595 20 0 DHADLN CCc1[nH]nc(NS(=O)(=O)c2ccc([C@H](C)CC)cc2)c1C ZINC000438226185 338337177 /nfs/dbraw/zinc/33/71/77/338337177.db2.gz VDMAAXBHJFAZDQ-LLVKDONJSA-N 0 2 321.446 3.595 20 0 DHADLN CCCN(CC)C(=O)c1cc(Cl)cc(Br)c1O ZINC000438999018 338358019 /nfs/dbraw/zinc/35/80/19/338358019.db2.gz KQVGMVPTTLOPDP-UHFFFAOYSA-N 0 2 320.614 3.680 20 0 DHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCc2ccc(F)cc2C1 ZINC000162682361 338654358 /nfs/dbraw/zinc/65/43/58/338654358.db2.gz KHURMPOFOYSONU-UHFFFAOYSA-N 0 2 323.726 3.522 20 0 DHADLN CCCc1csc(NC(=O)c2cc(F)c(O)c(Cl)c2)n1 ZINC000195041240 338844910 /nfs/dbraw/zinc/84/49/10/338844910.db2.gz COBLWBPFVVOQOS-UHFFFAOYSA-N 0 2 314.769 3.846 20 0 DHADLN C[C@H]1CCCC[C@@]1(C)NC(=O)c1cc(F)c(F)c(O)c1F ZINC000457242478 338956993 /nfs/dbraw/zinc/95/69/93/338956993.db2.gz FPUSEKHIFYMKBX-VXJOIVPMSA-N 0 2 301.308 3.508 20 0 DHADLN C[C@H](C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1cccc(Cl)c1 ZINC000460158349 338978307 /nfs/dbraw/zinc/97/83/07/338978307.db2.gz BWMWEAMHFOQYPS-VIFPVBQESA-N 0 2 323.849 3.653 20 0 DHADLN CCCc1nsc(NC[C@H](c2ccccc2)C(F)(F)F)n1 ZINC000461946052 339069464 /nfs/dbraw/zinc/06/94/64/339069464.db2.gz LZJUUJCLBOQRCR-LLVKDONJSA-N 0 2 315.364 3.671 20 0 DHADLN CCCc1nsc(N[C@@H](C)Cc2nc3ccccc3s2)n1 ZINC000461947446 339069549 /nfs/dbraw/zinc/06/95/49/339069549.db2.gz JXJMXPVQJIUDJT-JTQLQIEISA-N 0 2 318.471 3.565 20 0 DHADLN c1ccc(-c2nsc(NC[C@@H]3CCOc4ccccc43)n2)cc1 ZINC000462846330 339094113 /nfs/dbraw/zinc/09/41/13/339094113.db2.gz ARKLXVIMQSFNMM-AWEZNQCLSA-N 0 2 323.421 3.605 20 0 DHADLN CC[C@@]1(C)C[C@@H]1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000466291310 339198587 /nfs/dbraw/zinc/19/85/87/339198587.db2.gz UYLRLNPSMGBBIQ-BMIGLBTASA-N 0 2 321.833 3.655 20 0 DHADLN Cc1cc(N2CC[NH+](C)CC2)ccc1[NH2+][C@@H](C)CCC1CC1 ZINC000469785153 339299780 /nfs/dbraw/zinc/29/97/80/339299780.db2.gz ADNIPJZTMVJKNT-INIZCTEOSA-N 0 2 301.478 3.737 20 0 DHADLN CCCC1(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)CC1 ZINC000471276715 339341789 /nfs/dbraw/zinc/34/17/89/339341789.db2.gz HEYGFFCMWQMESA-UHFFFAOYSA-N 0 2 321.833 3.799 20 0 DHADLN CCC[C@@H](C)CC(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000472250053 339367683 /nfs/dbraw/zinc/36/76/83/339367683.db2.gz MORSCOFRPOLAEW-SECBINFHSA-N 0 2 309.460 3.762 20 0 DHADLN Cc1ccsc1-c1nc(=NC(=O)[C@H](C)C(C)(C)C)s[nH]1 ZINC000472294529 339369213 /nfs/dbraw/zinc/36/92/13/339369213.db2.gz PSZZURIWHMDHMK-VIFPVBQESA-N 0 2 309.460 3.618 20 0 DHADLN CC[C@H](C)[C@@H](C(=O)Nc1ccc2nn[nH]c2c1)c1ccccc1 ZINC000473612783 339388862 /nfs/dbraw/zinc/38/88/62/339388862.db2.gz ULGLOGFCYVKJMO-YVEFUNNKSA-N 0 2 308.385 3.726 20 0 DHADLN CCC[C@](C)(CC)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000475766076 339461957 /nfs/dbraw/zinc/46/19/57/339461957.db2.gz DBYHKLHBNHIICG-AWEZNQCLSA-N 0 2 309.460 3.843 20 0 DHADLN CCC[C@H](C(=O)N=c1nc(-c2ccsc2)[nH]s1)C(C)C ZINC000487504551 339755272 /nfs/dbraw/zinc/75/52/72/339755272.db2.gz VLLUNZGTAXSAGB-NSHDSACASA-N 0 2 309.460 3.699 20 0 DHADLN COc1ccc(C)cc1[C@@H](C)N=c1nc(C(C)(C)C)[nH]s1 ZINC000489320443 339805863 /nfs/dbraw/zinc/80/58/63/339805863.db2.gz YMYUTVKNWXDXJP-LLVKDONJSA-N 0 2 305.447 3.748 20 0 DHADLN Cc1n[nH]c(NC(=O)CCCCc2ccc(C(C)(C)C)cc2)n1 ZINC000502707734 340111699 /nfs/dbraw/zinc/11/16/99/340111699.db2.gz UJWCXCGJVKSMMH-UHFFFAOYSA-N 0 2 314.433 3.762 20 0 DHADLN Cc1ccc(C(C)(C)CC(=O)Nc2ccc3nn[nH]c3c2)cc1 ZINC000508002546 340237211 /nfs/dbraw/zinc/23/72/11/340237211.db2.gz UZOCBNQQYSIBDX-UHFFFAOYSA-N 0 2 308.385 3.573 20 0 DHADLN CO[C@@H](C)c1nsc(NCCc2ccc(C(C)(C)C)cc2)n1 ZINC000509665863 340276321 /nfs/dbraw/zinc/27/63/21/340276321.db2.gz UTNAEZSGVKLOPY-LBPRGKRZSA-N 0 2 319.474 3.620 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cnn2ccccc12 ZINC000231617183 340623663 /nfs/dbraw/zinc/62/36/63/340623663.db2.gz INFBYEKNHNJSAE-UHFFFAOYSA-N 0 2 322.151 3.599 20 0 DHADLN CCC(NC(=O)c1cc(F)c(F)c(O)c1F)(C1CC1)C1CC1 ZINC000529795672 340769559 /nfs/dbraw/zinc/76/95/59/340769559.db2.gz KTMAGLDJVQGKSE-UHFFFAOYSA-N 0 2 313.319 3.508 20 0 DHADLN CCOc1cc(Cl)ccc1NS(=O)(=O)c1cccs1 ZINC000125910632 340814948 /nfs/dbraw/zinc/81/49/48/340814948.db2.gz MZWVXXWHPRHQHU-UHFFFAOYSA-N 0 2 317.819 3.601 20 0 DHADLN CCCS(=O)(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1 ZINC000540698539 340942040 /nfs/dbraw/zinc/94/20/40/340942040.db2.gz UXBRJZPORSAFJV-UHFFFAOYSA-N 0 2 324.471 3.502 20 0 DHADLN C[C@@H]1CCC[C@@H]1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000543141854 341034039 /nfs/dbraw/zinc/03/40/39/341034039.db2.gz LYYCLBCNJAFMIS-ZJUUUORDSA-N 0 2 321.833 3.655 20 0 DHADLN CCN(C(=O)c1cc(F)c(F)c(O)c1F)c1ccccc1C ZINC000543540253 341048671 /nfs/dbraw/zinc/04/86/71/341048671.db2.gz NEEFFMVMKMRYLM-UHFFFAOYSA-N 0 2 309.287 3.785 20 0 DHADLN O=c1nc(-c2ccc(F)cc2)[nH]c2c(-c3ccccc3)nsc21 ZINC000543945804 341063790 /nfs/dbraw/zinc/06/37/90/341063790.db2.gz MSXBQFPRPPKCJL-UHFFFAOYSA-N 0 2 323.352 3.853 20 0 DHADLN CCCCN(C(=O)c1cc(F)c(F)c(O)c1F)[C@@H](C)CC ZINC000544488938 341084287 /nfs/dbraw/zinc/08/42/87/341084287.db2.gz FLLFPCOSBZYOLL-VIFPVBQESA-N 0 2 303.324 3.850 20 0 DHADLN O=c1nc(CSCCCc2ccccc2)[nH]c2ccsc21 ZINC000078336645 341240585 /nfs/dbraw/zinc/24/05/85/341240585.db2.gz XLHFJJCTSDPXAS-UHFFFAOYSA-N 0 2 316.451 3.851 20 0 DHADLN CC(C)[C@H]1C[C@@H](NC(=O)c2cccc3[nH]nnc32)c2ccccc21 ZINC000548402759 341259033 /nfs/dbraw/zinc/25/90/33/341259033.db2.gz WSGBCNUKXHDCQT-NVXWUHKLSA-N 0 2 320.396 3.572 20 0 DHADLN Cc1ccsc1-c1nc(=NC(=O)C2(C)CCCCC2)s[nH]1 ZINC000548406426 341259144 /nfs/dbraw/zinc/25/91/44/341259144.db2.gz RPPKACKYMDLHCQ-UHFFFAOYSA-N 0 2 321.471 3.906 20 0 DHADLN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cc(F)cc(Cl)c1O ZINC000247652855 341368235 /nfs/dbraw/zinc/36/82/35/341368235.db2.gz WQEFTHGQXUECMV-GPCCPHFNSA-N 0 2 311.784 3.978 20 0 DHADLN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(F)c(F)c(O)c1F ZINC000248404781 341376737 /nfs/dbraw/zinc/37/67/37/341376737.db2.gz AACXFQOXESRROI-VDDIYKPWSA-N 0 2 313.319 3.603 20 0 DHADLN Cc1cccc(S(=O)(=O)Nc2cc(C3CC3)ccn2)c1Cl ZINC000577519532 341915131 /nfs/dbraw/zinc/91/51/31/341915131.db2.gz KJQCWAUGUSPNNY-UHFFFAOYSA-N 0 2 322.817 3.722 20 0 DHADLN CC(C)S(=O)(=O)CCCS[C@H]1CCc2ccc(F)cc21 ZINC000176963127 519786819 /nfs/dbraw/zinc/78/68/19/519786819.db2.gz NXOJTFAMOSWWAE-HNNXBMFYSA-N 0 2 316.463 3.760 20 0 DHADLN CC(C)S(=O)(=O)CCCSc1nc2ccccc2s1 ZINC000158030241 519786897 /nfs/dbraw/zinc/78/68/97/519786897.db2.gz MFBRDWIROPJZSA-UHFFFAOYSA-N 0 2 315.485 3.602 20 0 DHADLN CC[C@H]1CCC[C@@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1 ZINC000182825210 523117479 /nfs/dbraw/zinc/11/74/79/523117479.db2.gz OVGLHLGZCGRXAL-DTWKUNHWSA-N 0 2 301.308 3.508 20 0 DHADLN Cc1ccc(CC(=O)Nc2cc(Cl)cc(Cl)c2O)cn1 ZINC000355686254 524274566 /nfs/dbraw/zinc/27/45/66/524274566.db2.gz SPXJPAIMPLPKFD-UHFFFAOYSA-N 0 2 311.168 3.584 20 0 DHADLN O=C(CC[C@H]1CCCCO1)Nc1cc(Cl)cc(Cl)c1O ZINC000226264126 526568784 /nfs/dbraw/zinc/56/87/84/526568784.db2.gz UIBVPZBFOKHIST-SNVBAGLBSA-N 0 2 318.200 3.987 20 0 DHADLN O=C(N[C@@H](c1cc2ccccc2o1)c1ccncc1)C(F)(F)F ZINC000363646261 526866611 /nfs/dbraw/zinc/86/66/11/526866611.db2.gz KIQBNBJLJKHXNJ-CQSZACIVSA-N 0 2 320.270 3.596 20 0 DHADLN CC(C)c1nc2c([nH]1)C[C@H](C(=O)NCCC1=CCCCC1)CC2 ZINC000299751007 528323482 /nfs/dbraw/zinc/32/34/82/528323482.db2.gz PDBDAVWAHOHXTJ-OAHLLOKOSA-N 0 2 315.461 3.645 20 0 DHADLN CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NCCC1=CCCCC1)C2 ZINC000299751007 528323487 /nfs/dbraw/zinc/32/34/87/528323487.db2.gz PDBDAVWAHOHXTJ-OAHLLOKOSA-N 0 2 315.461 3.645 20 0 DHADLN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2c(C)noc2C)cc1 ZINC000299467408 535712852 /nfs/dbraw/zinc/71/28/52/535712852.db2.gz AMKFLHXRJRANIU-SNVBAGLBSA-N 0 2 308.403 3.606 20 0 DHADLN O=C([O-])c1cccc(C[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000740221836 599796266 /nfs/dbraw/zinc/79/62/66/599796266.db2.gz YCJPLTBWVQVRSL-UHFFFAOYSA-N 0 2 324.355 3.564 20 0 DHADLN O=C([O-])c1cccc(C[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC000740221836 599796268 /nfs/dbraw/zinc/79/62/68/599796268.db2.gz YCJPLTBWVQVRSL-UHFFFAOYSA-N 0 2 324.355 3.564 20 0 DHADLN CCC[C@](C)([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC000386183105 600321527 /nfs/dbraw/zinc/32/15/27/600321527.db2.gz GZYCVNIGUIXCJW-INIZCTEOSA-N 0 2 322.792 3.728 20 0 DHADLN CC(C)c1oc([C@@H]2CCC[N@@H+]2CC(=O)[O-])nc1-c1ccccc1 ZINC000262661256 601010716 /nfs/dbraw/zinc/01/07/16/601010716.db2.gz NRCHQGFEYJQUMV-AWEZNQCLSA-N 0 2 314.385 3.687 20 0 DHADLN CC(C)c1oc([C@@H]2CCC[N@H+]2CC(=O)[O-])nc1-c1ccccc1 ZINC000262661256 601010719 /nfs/dbraw/zinc/01/07/19/601010719.db2.gz NRCHQGFEYJQUMV-AWEZNQCLSA-N 0 2 314.385 3.687 20 0 DHADLN C[N@H+](Cc1ccc(C(=O)[O-])s1)Cc1c(F)cccc1Cl ZINC000830819421 601937242 /nfs/dbraw/zinc/93/72/42/601937242.db2.gz LBSPEYUWWUWTJP-UHFFFAOYSA-N 0 2 313.781 3.871 20 0 DHADLN C[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1c(F)cccc1Cl ZINC000830819421 601937244 /nfs/dbraw/zinc/93/72/44/601937244.db2.gz LBSPEYUWWUWTJP-UHFFFAOYSA-N 0 2 313.781 3.871 20 0 DHADLN Cc1cc(C[N@@H+]2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c(C)o1 ZINC000833745949 604550017 /nfs/dbraw/zinc/55/00/17/604550017.db2.gz YVWZXEFECNCYGR-UHFFFAOYSA-N 0 2 324.380 3.634 20 0 DHADLN Cc1cc(C[N@H+]2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)c(C)o1 ZINC000833745949 604550019 /nfs/dbraw/zinc/55/00/19/604550019.db2.gz YVWZXEFECNCYGR-UHFFFAOYSA-N 0 2 324.380 3.634 20 0 DHADLN Cc1cccc(S(=O)(=O)Nc2ccc3scnc3c2)c1F ZINC000180500768 1013099658 /nfs/dbraw/zinc/09/96/58/1013099658.db2.gz VGQRBBORTZBFKL-UHFFFAOYSA-N 0 2 322.386 3.545 20 0 DHADLN Cc1ccc(-c2csc(C[N@H+](CC(=O)[O-])C3CCC3)n2)cc1 ZINC000521070701 953553335 /nfs/dbraw/zinc/55/33/35/953553335.db2.gz DDNGWHIFUJIPLD-UHFFFAOYSA-N 0 2 316.426 3.558 20 0 DHADLN Cc1ccc(-c2csc(C[N@@H+](CC(=O)[O-])C3CCC3)n2)cc1 ZINC000521070701 953553343 /nfs/dbraw/zinc/55/33/43/953553343.db2.gz DDNGWHIFUJIPLD-UHFFFAOYSA-N 0 2 316.426 3.558 20 0 DHADLN O=C([O-])c1ccc(C[N@@H+]2CCc3sc(Cl)cc3C2)s1 ZINC000571811704 953663140 /nfs/dbraw/zinc/66/31/40/953663140.db2.gz ZOBBLPNREDZUFY-UHFFFAOYSA-N 0 2 313.831 3.720 20 0 DHADLN O=C([O-])c1ccc(C[N@H+]2CCc3sc(Cl)cc3C2)s1 ZINC000571811704 953663153 /nfs/dbraw/zinc/66/31/53/953663153.db2.gz ZOBBLPNREDZUFY-UHFFFAOYSA-N 0 2 313.831 3.720 20 0 DHADLN CCc1cccc(C)c1NS(=O)(=O)c1cccc(OC)c1F ZINC000655553808 1013234299 /nfs/dbraw/zinc/23/42/99/1013234299.db2.gz SABCQKRRHGLNAF-UHFFFAOYSA-N 0 2 323.389 3.506 20 0 DHADLN CC(C)n1cc(S(=O)(=O)Nc2cccc(C3CCC3)c2)cn1 ZINC000519494394 1013334446 /nfs/dbraw/zinc/33/44/46/1013334446.db2.gz AGNKQAFZBUALJF-UHFFFAOYSA-N 0 2 319.430 3.532 20 0 DHADLN Cc1oc(C[N@@H+](C)Cc2cnc(C(C)(C)C)s2)cc1C(=O)[O-] ZINC001350598776 962542066 /nfs/dbraw/zinc/54/20/66/962542066.db2.gz CFPHWMSSJWRJDB-UHFFFAOYSA-N 0 2 322.430 3.672 20 0 DHADLN Cc1oc(C[N@H+](C)Cc2cnc(C(C)(C)C)s2)cc1C(=O)[O-] ZINC001350598776 962542079 /nfs/dbraw/zinc/54/20/79/962542079.db2.gz CFPHWMSSJWRJDB-UHFFFAOYSA-N 0 2 322.430 3.672 20 0 DHADLN CC1(C)C[C@]1(NC(=O)c1cc(F)c(O)c(F)c1)c1ccccc1 ZINC001167972654 1013403131 /nfs/dbraw/zinc/40/31/31/1013403131.db2.gz NPXNZTWLBQPNKJ-SFHVURJKSA-N 0 2 317.335 3.726 20 0 DHADLN CC[C@H](CC(=O)Nc1nc(-c2ccccc2F)n[nH]1)C(C)C ZINC000520272928 1013692105 /nfs/dbraw/zinc/69/21/05/1013692105.db2.gz RUGGQXVPYNQOQC-LLVKDONJSA-N 0 2 304.369 3.622 20 0 DHADLN C[C@@H](NC(=O)c1c(O)cc(F)cc1F)c1ccccc1Cl ZINC000620963648 1013791004 /nfs/dbraw/zinc/79/10/04/1013791004.db2.gz BCLXTBRPDXFGAX-MRVPVSSYSA-N 0 2 311.715 3.815 20 0 DHADLN CC[C@H]1CC[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2O)O1 ZINC000330868623 1013843616 /nfs/dbraw/zinc/84/36/16/1013843616.db2.gz PJPBLVFURCENJK-KWQFWETISA-N 0 2 304.173 3.595 20 0 DHADLN COC(=O)c1c(C(F)(F)F)csc1Nc1nccs1 ZINC001210990995 1014101997 /nfs/dbraw/zinc/10/19/97/1014101997.db2.gz RFTLGKSQGQBIGN-UHFFFAOYSA-N 0 2 308.306 3.754 20 0 DHADLN Cc1oc(C[N@@H+](C)Cc2cccc(Cl)c2F)cc1C(=O)[O-] ZINC000563283143 974527108 /nfs/dbraw/zinc/52/71/08/974527108.db2.gz OZKBEJKLFZVZOB-UHFFFAOYSA-N 0 2 311.740 3.711 20 0 DHADLN Cc1oc(C[N@H+](C)Cc2cccc(Cl)c2F)cc1C(=O)[O-] ZINC000563283143 974527113 /nfs/dbraw/zinc/52/71/13/974527113.db2.gz OZKBEJKLFZVZOB-UHFFFAOYSA-N 0 2 311.740 3.711 20 0 DHADLN COc1ccc(Cl)cc1C[N@H+](C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000570287245 974708938 /nfs/dbraw/zinc/70/89/38/974708938.db2.gz YCBHTIMIXAWMRY-UHFFFAOYSA-N 0 2 323.776 3.580 20 0 DHADLN COc1ccc(Cl)cc1C[N@@H+](C)Cc1cc(C)c(C(=O)[O-])o1 ZINC000570287245 974708941 /nfs/dbraw/zinc/70/89/41/974708941.db2.gz YCBHTIMIXAWMRY-UHFFFAOYSA-N 0 2 323.776 3.580 20 0 DHADLN Cc1cc([C@@H](C)[N@@H+]2CCc3c(F)cc(F)cc3C2)oc1C(=O)[O-] ZINC000652434849 975530858 /nfs/dbraw/zinc/53/08/58/975530858.db2.gz GIZJOXIPPLLFDA-SNVBAGLBSA-N 0 2 321.323 3.684 20 0 DHADLN Cc1cc([C@@H](C)[N@H+]2CCc3c(F)cc(F)cc3C2)oc1C(=O)[O-] ZINC000652434849 975530865 /nfs/dbraw/zinc/53/08/65/975530865.db2.gz GIZJOXIPPLLFDA-SNVBAGLBSA-N 0 2 321.323 3.684 20 0 DHADLN C[C@@H](CC1CC1)Nc1ccc([NH+]2CCCCC2)c(C(=O)[O-])c1 ZINC001592460245 978182413 /nfs/dbraw/zinc/18/24/13/978182413.db2.gz SQQFAVQYXZJPNE-ZDUSSCGKSA-N 0 2 302.418 3.976 20 0 DHADLN Cc1cc([C@@H]([NH2+]Cc2cnc(C(C)C)s2)C(=O)[O-])ccc1F ZINC000901847131 980570213 /nfs/dbraw/zinc/57/02/13/980570213.db2.gz MJBUDXPBJNGECU-CQSZACIVSA-N 0 2 322.405 3.630 20 0 DHADLN CC[C@@H](C)[C@@H](C(=O)[O-])[N@@H+]1CCn2c(cc3c2cccc3Cl)C1 ZINC001594873567 982194907 /nfs/dbraw/zinc/19/49/07/982194907.db2.gz NUCAACNBVSVETE-BZNIZROVSA-N 0 2 320.820 3.610 20 0 DHADLN CC[C@@H](C)[C@@H](C(=O)[O-])[N@H+]1CCn2c(cc3c2cccc3Cl)C1 ZINC001594873567 982194911 /nfs/dbraw/zinc/19/49/11/982194911.db2.gz NUCAACNBVSVETE-BZNIZROVSA-N 0 2 320.820 3.610 20 0 DHADLN CCCC[C@H](CC)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000521835248 1014817432 /nfs/dbraw/zinc/81/74/32/1014817432.db2.gz FXRYAYOIGQFAPD-JTQLQIEISA-N 0 2 309.460 3.843 20 0 DHADLN Cc1cnc(NS(=O)(=O)c2c(Cl)ccc3ccccc32)o1 ZINC000443356283 1014879147 /nfs/dbraw/zinc/87/91/47/1014879147.db2.gz JAVFTJJGCPSHLZ-UHFFFAOYSA-N 0 2 322.773 3.590 20 0 DHADLN CC[N@H+](Cc1csc(C(=O)[O-])c1)Cc1c(F)cccc1F ZINC001596378503 983896269 /nfs/dbraw/zinc/89/62/69/983896269.db2.gz VYNLFWDCJBGJBI-UHFFFAOYSA-N 0 2 311.353 3.747 20 0 DHADLN CC[N@@H+](Cc1csc(C(=O)[O-])c1)Cc1c(F)cccc1F ZINC001596378503 983896277 /nfs/dbraw/zinc/89/62/77/983896277.db2.gz VYNLFWDCJBGJBI-UHFFFAOYSA-N 0 2 311.353 3.747 20 0 DHADLN C[C@H](Nc1cc(CC(=O)[O-])cc[nH+]1)c1ccc(F)cc1Cl ZINC001599902683 984870213 /nfs/dbraw/zinc/87/02/13/984870213.db2.gz KUMFOIVAETYQEL-VIFPVBQESA-N 0 2 308.740 3.674 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2nccc(C)c2C2CC2)c(C)s1 ZINC000656738265 1015106005 /nfs/dbraw/zinc/10/60/05/1015106005.db2.gz HYKFFXXNNXUESA-UHFFFAOYSA-N 0 2 322.455 3.747 20 0 DHADLN CC(C)(C)[C@@H]([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)C(=O)[O-] ZINC001589720346 987881522 /nfs/dbraw/zinc/88/15/22/987881522.db2.gz MUXFJKURJMWWOA-AWEZNQCLSA-N 0 2 322.792 3.584 20 0 DHADLN CCc1oc(C[N@@H+]2CC[C@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC001597796344 989352041 /nfs/dbraw/zinc/35/20/41/989352041.db2.gz MFEWLRPPJYKERM-HNNXBMFYSA-N 0 2 303.333 3.626 20 0 DHADLN CCc1oc(C[N@H+]2CC[C@H]2c2cccc(F)c2)cc1C(=O)[O-] ZINC001597796344 989352061 /nfs/dbraw/zinc/35/20/61/989352061.db2.gz MFEWLRPPJYKERM-HNNXBMFYSA-N 0 2 303.333 3.626 20 0 DHADLN Cc1ccc(S(O)=CC(=O)N(CC(C)C)CC(C)C)c(C)c1 ZINC000341791668 1015738834 /nfs/dbraw/zinc/73/88/34/1015738834.db2.gz RTWIKHACHDMAQY-JOCHJYFZSA-N 0 2 323.502 3.552 20 0 DHADLN Cc1ccc(S(O)=CC(=O)N[C@@H](C)CCCC(C)C)c(C)c1 ZINC000341833858 1015761427 /nfs/dbraw/zinc/76/14/27/1015761427.db2.gz LSSWTXHLANVSJM-AOMKIAJQSA-N 0 2 323.502 3.742 20 0 DHADLN C[C@@H](c1nc(C(=O)[O-])co1)[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC001593725829 996282898 /nfs/dbraw/zinc/28/28/98/996282898.db2.gz UUARBBRLPADVDY-XJKSGUPXSA-N 0 2 324.380 3.827 20 0 DHADLN C[C@@H](c1nc(C(=O)[O-])co1)[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC001593725829 996282905 /nfs/dbraw/zinc/28/29/05/996282905.db2.gz UUARBBRLPADVDY-XJKSGUPXSA-N 0 2 324.380 3.827 20 0 DHADLN C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CC(C)(C)[C@H]1c1ccccc1 ZINC001593732336 996310597 /nfs/dbraw/zinc/31/05/97/996310597.db2.gz RWVZSPGDIHLWDK-SMDDNHRTSA-N 0 2 316.426 3.985 20 0 DHADLN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+]1CC(C)(C)[C@H]1c1ccccc1 ZINC001593732336 996310601 /nfs/dbraw/zinc/31/06/01/996310601.db2.gz RWVZSPGDIHLWDK-SMDDNHRTSA-N 0 2 316.426 3.985 20 0 DHADLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1cccc(Cl)c1 ZINC000342153708 1016085202 /nfs/dbraw/zinc/08/52/02/1016085202.db2.gz VORLZKNAAGMKHU-UHFFFAOYSA-N 0 2 316.723 3.517 20 0 DHADLN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(F)C(F)(F)F ZINC000277325489 1016200457 /nfs/dbraw/zinc/20/04/57/1016200457.db2.gz CNSFJKRXZLQWBM-LDYMZIIASA-N 0 2 311.706 3.630 20 0 DHADLN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC000277325489 1016200467 /nfs/dbraw/zinc/20/04/67/1016200467.db2.gz CNSFJKRXZLQWBM-LDYMZIIASA-N 0 2 311.706 3.630 20 0 DHADLN CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cn1 ZINC000152120726 1016350922 /nfs/dbraw/zinc/35/09/22/1016350922.db2.gz HXHIYUOLIGYTAX-MRXNPFEDSA-N 0 2 323.444 3.560 20 0 DHADLN CN(Cc1csc2ccccc12)C(=O)C(F)C(F)(F)F ZINC000277533673 1016554166 /nfs/dbraw/zinc/55/41/66/1016554166.db2.gz UWZQLDWIEJCVHN-NSHDSACASA-N 0 2 305.296 3.760 20 0 DHADLN CN(Cc1csc2ccccc12)C(=O)[C@H](F)C(F)(F)F ZINC000277533673 1016554176 /nfs/dbraw/zinc/55/41/76/1016554176.db2.gz UWZQLDWIEJCVHN-NSHDSACASA-N 0 2 305.296 3.760 20 0 DHADLN O=C(NCc1ccc(Cl)cc1Cl)C(F)C(F)(F)F ZINC000277538755 1016571925 /nfs/dbraw/zinc/57/19/25/1016571925.db2.gz RYPZKFYCDWPVJX-QMMMGPOBSA-N 0 2 304.070 3.510 20 0 DHADLN O=C(NCc1ccc(Cl)cc1Cl)[C@H](F)C(F)(F)F ZINC000277538755 1016571938 /nfs/dbraw/zinc/57/19/38/1016571938.db2.gz RYPZKFYCDWPVJX-QMMMGPOBSA-N 0 2 304.070 3.510 20 0 DHADLN Cc1ccc(C(C)(C)C)cc1S(O)=CC(=O)N[C@H](C)C(C)C ZINC000107959036 1011921964 /nfs/dbraw/zinc/92/19/64/1011921964.db2.gz KBKZFBHIGOOPAJ-PEBXRYMYSA-N 0 2 323.502 3.561 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)C1(c2cccnc2)CC1 ZINC000515026396 1012538030 /nfs/dbraw/zinc/53/80/30/1012538030.db2.gz NMVVUAAQOBVQTG-UHFFFAOYSA-N 0 2 323.179 3.764 20 0 DHADLN C[C@H](NC(=O)c1cc(F)c(O)c(F)c1)C1CCC(F)(F)CC1 ZINC000655342027 1012676475 /nfs/dbraw/zinc/67/64/75/1012676475.db2.gz YQEXHHXXXOWWAM-QMMMGPOBSA-N 0 2 319.298 3.614 20 0 DHADLN C[C@@H](Cc1ccccc1F)NC(=O)c1cccc(Cl)c1O ZINC001125307863 1012902244 /nfs/dbraw/zinc/90/22/44/1012902244.db2.gz LECXEOMRDIOTQA-JTQLQIEISA-N 0 2 307.752 3.546 20 0 DHADLN CC(C)C[C@H](C)CC(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000517607278 1013022517 /nfs/dbraw/zinc/02/25/17/1013022517.db2.gz LLIBAINJELIXEO-NSHDSACASA-N 0 2 304.369 3.622 20 0 DHADLN Cc1ccsc1S(=O)(=O)Nc1nc(C(C)C)c(C)s1 ZINC000563433833 1017150801 /nfs/dbraw/zinc/15/08/01/1017150801.db2.gz XILTUICLXOMTKL-UHFFFAOYSA-N 0 2 316.473 3.746 20 0 DHADLN CCOc1ccc([C@H]2CCCN2C(=O)C(F)C(F)(F)F)cc1 ZINC000763984625 1017497596 /nfs/dbraw/zinc/49/75/96/1017497596.db2.gz DUCAELJKRPEGGO-CHWSQXEVSA-N 0 2 319.298 3.649 20 0 DHADLN CCOc1ccc([C@H]2CCCN2C(=O)[C@@H](F)C(F)(F)F)cc1 ZINC000763984625 1017497603 /nfs/dbraw/zinc/49/76/03/1017497603.db2.gz DUCAELJKRPEGGO-CHWSQXEVSA-N 0 2 319.298 3.649 20 0 DHADLN CCS(=O)(=O)Nc1nc(-c2cccc3ccccc32)cs1 ZINC000342868524 1017639365 /nfs/dbraw/zinc/63/93/65/1017639365.db2.gz NXZLTOQVXFYLJM-UHFFFAOYSA-N 0 2 318.423 3.725 20 0 DHADLN CC(C)(C)c1nc(=NC(=O)c2cccc3ccccc32)s[nH]1 ZINC000524318413 1017960265 /nfs/dbraw/zinc/96/02/65/1017960265.db2.gz KFWYGHSQCFFTBM-UHFFFAOYSA-N 0 2 311.410 3.663 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2nc3c(cccc3C)s2)c(C)o1 ZINC000183105658 1017993615 /nfs/dbraw/zinc/99/36/15/1017993615.db2.gz SMNRPUVUYDPPTI-UHFFFAOYSA-N 0 2 322.411 3.615 20 0 DHADLN Cc1cccnc1[C@@H](NC(=O)c1c(O)cc(F)cc1F)C(C)C ZINC000176383900 1018048134 /nfs/dbraw/zinc/04/81/34/1018048134.db2.gz MNRFARUIMFREIB-HNNXBMFYSA-N 0 2 320.339 3.501 20 0 DHADLN CS[C@@H]1CCCCN(C(=O)c2cc(F)cc(Cl)c2O)C1 ZINC000123203822 1018052965 /nfs/dbraw/zinc/05/29/65/1018052965.db2.gz IITLNOVTYGGQDC-SNVBAGLBSA-N 0 2 317.813 3.542 20 0 DHADLN CN(CCc1cccc2ccccc21)C(=O)C(F)C(F)(F)F ZINC000764473059 1018289155 /nfs/dbraw/zinc/28/91/55/1018289155.db2.gz RKRCBYHDWBFVDW-AWEZNQCLSA-N 0 2 313.294 3.741 20 0 DHADLN CN(CCc1cccc2ccccc21)C(=O)[C@H](F)C(F)(F)F ZINC000764473059 1018289171 /nfs/dbraw/zinc/28/91/71/1018289171.db2.gz RKRCBYHDWBFVDW-AWEZNQCLSA-N 0 2 313.294 3.741 20 0 DHADLN CC1(C)CC[C@@H](NC(=O)C(F)C(F)(F)F)c2ccccc21 ZINC000764464786 1018291751 /nfs/dbraw/zinc/29/17/51/1018291751.db2.gz RKSRGHIXGPRNHA-VXGBXAGGSA-N 0 2 303.299 3.816 20 0 DHADLN CC1(C)CC[C@@H](NC(=O)[C@@H](F)C(F)(F)F)c2ccccc21 ZINC000764464786 1018291766 /nfs/dbraw/zinc/29/17/66/1018291766.db2.gz RKSRGHIXGPRNHA-VXGBXAGGSA-N 0 2 303.299 3.816 20 0 DHADLN CC[C@@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)C(C)(C)C ZINC000448001288 1018515260 /nfs/dbraw/zinc/51/52/60/1018515260.db2.gz QBPIBKGAVUCNDF-SNVBAGLBSA-N 0 2 324.475 3.635 20 0 DHADLN C[C@H]1c2c(F)cccc2CCN1C(=O)c1c(O)cc(F)cc1F ZINC000676347169 1018707273 /nfs/dbraw/zinc/70/72/73/1018707273.db2.gz IWVQYSGNZJCNRF-VIFPVBQESA-N 0 2 321.298 3.569 20 0 DHADLN C[C@](CNc1cc(C(F)(F)F)cc[nH+]1)(C(=O)[O-])c1ccccc1 ZINC000650777077 1018787196 /nfs/dbraw/zinc/78/71/96/1018787196.db2.gz SKZSIUACBZNRJF-OAHLLOKOSA-N 0 2 324.302 3.555 20 0 DHADLN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)C(F)C(F)(F)F ZINC000278549946 1018809655 /nfs/dbraw/zinc/80/96/55/1018809655.db2.gz GNXGQMHJUJURAN-RSLMWUCJSA-N 0 2 303.299 3.680 20 0 DHADLN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@@H](F)C(F)(F)F ZINC000278549946 1018809669 /nfs/dbraw/zinc/80/96/69/1018809669.db2.gz GNXGQMHJUJURAN-RSLMWUCJSA-N 0 2 303.299 3.680 20 0 DHADLN Cc1sc([C@@H](C)[NH2+]Cc2ccccc2Cl)nc1C(=O)[O-] ZINC000900075211 1018985698 /nfs/dbraw/zinc/98/56/98/1018985698.db2.gz NVMKBZYEYASLBT-MRVPVSSYSA-N 0 2 310.806 3.654 20 0 DHADLN Cc1ccc(C)c2sc(NS(=O)(=O)c3cccs3)nc21 ZINC000008864741 1019223196 /nfs/dbraw/zinc/22/31/96/1019223196.db2.gz CUNYEMONRGQCEP-UHFFFAOYSA-N 0 2 324.452 3.775 20 0 DHADLN Cc1ccc(NC(=O)c2cccc(Br)c2O)cc1 ZINC000139194033 1019625595 /nfs/dbraw/zinc/62/55/95/1019625595.db2.gz XPYNVVMDSXGJMW-UHFFFAOYSA-N 0 2 306.159 3.715 20 0 DHADLN CCOc1cc(NS(=O)(=O)c2ccc(C)s2)ccc1C ZINC000066588196 1019953166 /nfs/dbraw/zinc/95/31/66/1019953166.db2.gz FGKLMMXSBWCVNQ-UHFFFAOYSA-N 0 2 311.428 3.564 20 0 DHADLN O=C(NCCC1CCC(F)(F)CC1)c1cc(F)c(O)c(F)c1 ZINC000890059505 1020377178 /nfs/dbraw/zinc/37/71/78/1020377178.db2.gz HHDTYEWIWYWDTG-UHFFFAOYSA-N 0 2 319.298 3.616 20 0 DHADLN O=C([O-])c1ccc(Nc2cccc(-n3cc[nH+]c3)c2)c(F)c1F ZINC001212513238 1020585395 /nfs/dbraw/zinc/58/53/95/1020585395.db2.gz HEOBZUMSQXUYJN-UHFFFAOYSA-N 0 2 315.279 3.592 20 0 DHADLN C[C@@H](CC(=O)Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1CCCO1 ZINC000613160604 1020837199 /nfs/dbraw/zinc/83/71/99/1020837199.db2.gz SGLJKBICTATROX-UFBFGSQYSA-N 0 2 318.200 3.843 20 0 DHADLN N#C[C@@H](C(=O)CCc1nccs1)c1nc2ccccc2s1 ZINC000066504625 1020896063 /nfs/dbraw/zinc/89/60/63/1020896063.db2.gz WHJAKGQPRDWBKM-JTQLQIEISA-N 0 2 313.407 3.562 20 0 DHADLN CC(C)c1cccc(S(=O)(=O)Nc2cc(Cl)ccn2)c1 ZINC000128291503 1021210311 /nfs/dbraw/zinc/21/03/11/1021210311.db2.gz PDLHULZCWFRGCO-UHFFFAOYSA-N 0 2 310.806 3.659 20 0 DHADLN Cc1cnc(CC(=O)Nc2cc(Cl)c(O)c(Cl)c2)s1 ZINC001153083014 1021396575 /nfs/dbraw/zinc/39/65/75/1021396575.db2.gz DGPCCVLIFFAOAL-UHFFFAOYSA-N 0 2 317.197 3.645 20 0 DHADLN O=C(Nc1nccc2sccc21)c1cc(F)c(O)c(F)c1 ZINC000129015531 1021403209 /nfs/dbraw/zinc/40/32/09/1021403209.db2.gz AUDLATVZEUYTQM-UHFFFAOYSA-N 0 2 306.293 3.532 20 0 DHADLN C[C@H](CCNC(=O)C(F)(F)F)c1cccc(C(F)(F)F)c1 ZINC000746343946 1022021093 /nfs/dbraw/zinc/02/10/93/1022021093.db2.gz GGJQUVNNIVAZFR-MRVPVSSYSA-N 0 2 313.241 3.878 20 0 DHADLN CC(C)c1cccc(S(=O)(=O)Nc2nc(C(C)(C)C)co2)c1 ZINC000671065817 1022169268 /nfs/dbraw/zinc/16/92/68/1022169268.db2.gz LLKJBNWSVIAKHC-UHFFFAOYSA-N 0 2 322.430 3.896 20 0 DHADLN O=C(c1c(O)cc(F)cc1F)N1CCC[C@H]1c1cccs1 ZINC000620966311 1022457303 /nfs/dbraw/zinc/45/73/03/1022457303.db2.gz MJCAUPDXZUOXBO-NSHDSACASA-N 0 2 309.337 3.709 20 0 DHADLN O=C(NOCC(F)(F)F)C1(c2cccc(F)c2)CCCCC1 ZINC000766763170 1022468872 /nfs/dbraw/zinc/46/88/72/1022468872.db2.gz BIWGAOGKLSBHMB-UHFFFAOYSA-N 0 2 319.298 3.638 20 0 DHADLN O=C(c1c(O)cc(F)cc1F)N1CCC[C@H]1C1CCCCC1 ZINC000620970992 1022472580 /nfs/dbraw/zinc/47/25/80/1022472580.db2.gz NVVXLAFGFBWWDK-AWEZNQCLSA-N 0 2 309.356 3.855 20 0 DHADLN O=C(c1cccc(Cl)c1O)N1CCc2cc(Cl)ccc21 ZINC000804345851 1022622738 /nfs/dbraw/zinc/62/27/38/1022622738.db2.gz DVZXEFGTFHKYCV-UHFFFAOYSA-N 0 2 308.164 3.902 20 0 DHADLN Cc1ccc([C@H]([NH2+]Cc2cnc(C3CCC3)s2)C(=O)[O-])cc1 ZINC000417541506 1022772235 /nfs/dbraw/zinc/77/22/35/1022772235.db2.gz YMMUQFXRQOARRT-HNNXBMFYSA-N 0 2 316.426 3.635 20 0 DHADLN O=C([O-])C1(CNc2cc(C(F)(F)F)cc[nH+]2)CCCCC1 ZINC000165673529 1022990820 /nfs/dbraw/zinc/99/08/20/1022990820.db2.gz YVNYRTHSBHKWML-UHFFFAOYSA-N 0 2 302.296 3.547 20 0 DHADLN O=C(Nc1ccc(Cl)nc1)c1c(O)cc(Cl)cc1Cl ZINC000769652899 1023192464 /nfs/dbraw/zinc/19/24/64/1023192464.db2.gz MZMUDDYCXXHYEZ-UHFFFAOYSA-N 0 2 317.559 4.000 20 0 DHADLN O=C(CCCn1cccc1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000538652813 1033127139 /nfs/dbraw/zinc/12/71/39/1033127139.db2.gz QFRQIUBAECNHIT-UHFFFAOYSA-N 0 2 313.184 3.919 20 0 DHADLN O=C(c1c(O)cc(F)cc1F)N(CCc1ccccc1)C1CC1 ZINC000771050395 1023389662 /nfs/dbraw/zinc/38/96/62/1023389662.db2.gz OMKBVDCRMBUBHE-UHFFFAOYSA-N 0 2 317.335 3.518 20 0 DHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c1 ZINC000048655357 1023802667 /nfs/dbraw/zinc/80/26/67/1023802667.db2.gz XQIRFXOIPLOMBH-UHFFFAOYSA-N 0 2 317.744 3.727 20 0 DHADLN CC(C)[C@H](NC(=O)C(F)(F)c1ccc(F)cc1)C(F)(F)F ZINC000787696249 1023812001 /nfs/dbraw/zinc/81/20/01/1023812001.db2.gz ORBDNGBUXWIKMH-JTQLQIEISA-N 0 2 313.241 3.621 20 0 DHADLN Cc1ccccc1C1(NC(=O)c2cc(F)c(O)c(F)c2)CCC1 ZINC000652516096 1023905063 /nfs/dbraw/zinc/90/50/63/1023905063.db2.gz TYTNHYPNHIPBER-UHFFFAOYSA-N 0 2 317.335 3.788 20 0 DHADLN CC(C)(C)OC(=O)NN=Cc1cc(Cl)cc(Cl)c1O ZINC000254443327 1023971329 /nfs/dbraw/zinc/97/13/29/1023971329.db2.gz FLGHAWCHMYRHPE-UHFFFAOYSA-N 0 2 305.161 3.558 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc2c(c1)CCO2 ZINC000130110278 1024131856 /nfs/dbraw/zinc/13/18/56/1024131856.db2.gz QCTNEJRVOYWMMU-UHFFFAOYSA-N 0 2 324.163 3.886 20 0 DHADLN CC(C)Cc1cccc([C@@H](C)C(=O)Nc2ccc3nn[nH]c3c2)c1 ZINC001137189586 1024436183 /nfs/dbraw/zinc/43/61/83/1024436183.db2.gz XMKHCGRYXSHVHY-CYBMUJFWSA-N 0 2 322.412 3.899 20 0 DHADLN Cc1ccc2c(Nc3cccc(S(=O)(=O)[O-])c3)cccc2[nH+]1 ZINC001212796804 1024534750 /nfs/dbraw/zinc/53/47/50/1024534750.db2.gz DTPLKYKGKGMMIU-UHFFFAOYSA-N 0 2 314.366 3.534 20 0 DHADLN Cc1cccc(O[C@@H](C)CNC(=O)c2cccc(Cl)c2O)c1 ZINC001126299693 1024553361 /nfs/dbraw/zinc/55/33/61/1024553361.db2.gz YGMOHTIWZMJXEM-LBPRGKRZSA-N 0 2 319.788 3.551 20 0 DHADLN CC1(C)CCN(C(=O)c2cc(F)cc(Cl)c2O)CCS1 ZINC000279655227 1025132741 /nfs/dbraw/zinc/13/27/41/1025132741.db2.gz HWKXUZPOMDXBSK-UHFFFAOYSA-N 0 2 317.813 3.542 20 0 DHADLN CC1(C)CC[C@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)O1 ZINC000279830464 1025283242 /nfs/dbraw/zinc/28/32/42/1025283242.db2.gz KPRIQVVYEVKUTP-SNVBAGLBSA-N 0 2 304.173 3.595 20 0 DHADLN CC1(C)C[C@@H](c2ccccc2)CN1C(=O)C(F)C(F)(F)F ZINC000885233528 1025291529 /nfs/dbraw/zinc/29/15/29/1025291529.db2.gz FWOOMMMMIQQQCJ-VXGBXAGGSA-N 0 2 303.299 3.682 20 0 DHADLN CC1(C)C[C@@H](c2ccccc2)CN1C(=O)[C@@H](F)C(F)(F)F ZINC000885233528 1025291537 /nfs/dbraw/zinc/29/15/37/1025291537.db2.gz FWOOMMMMIQQQCJ-VXGBXAGGSA-N 0 2 303.299 3.682 20 0 DHADLN C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1O)c1cccnc1 ZINC000354391138 1025420007 /nfs/dbraw/zinc/42/00/07/1025420007.db2.gz BURZOHVAOKRYFO-MRVPVSSYSA-N 0 2 311.168 3.836 20 0 DHADLN COCc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)o1 ZINC000355659042 1025799553 /nfs/dbraw/zinc/79/95/53/1025799553.db2.gz CCXWVKNTHIHTOC-UHFFFAOYSA-N 0 2 316.140 3.691 20 0 DHADLN O=C([O-])c1cc(Cl)cc(Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001211965200 1025875957 /nfs/dbraw/zinc/87/59/57/1025875957.db2.gz TZGPQHFDNBUVIJ-UHFFFAOYSA-N 0 2 313.744 3.968 20 0 DHADLN C[C@@H](CC(F)(F)F)N=c1nc(-c2cc(F)cc(F)c2)[nH]s1 ZINC000645214264 1026191095 /nfs/dbraw/zinc/19/10/95/1026191095.db2.gz YCHMVHDSIYUGGQ-LURJTMIESA-N 0 2 323.290 3.658 20 0 DHADLN CC(C)[C@H](NC(=O)C(F)(F)F)c1nc([C@@H](C)C(C)(C)C)no1 ZINC000809413542 1026531731 /nfs/dbraw/zinc/53/17/31/1026531731.db2.gz LUJWDWQRZKPDEO-BDAKNGLRSA-N 0 2 321.343 3.595 20 0 DHADLN O=C(NCCc1ccc(Cl)cc1Cl)C(F)C(F)(F)F ZINC000809944464 1026643903 /nfs/dbraw/zinc/64/39/03/1026643903.db2.gz XCAAMHAXUDYDCR-SECBINFHSA-N 0 2 318.097 3.553 20 0 DHADLN O=C(NCCc1ccc(Cl)cc1Cl)[C@@H](F)C(F)(F)F ZINC000809944464 1026643906 /nfs/dbraw/zinc/64/39/06/1026643906.db2.gz XCAAMHAXUDYDCR-SECBINFHSA-N 0 2 318.097 3.553 20 0 DHADLN Cc1ccc(C2=CCN(C(=O)C(F)C(F)(F)F)CC2)cc1 ZINC000809976350 1026656177 /nfs/dbraw/zinc/65/61/77/1026656177.db2.gz MKJJDMKYDLEMNS-CYBMUJFWSA-N 0 2 301.283 3.511 20 0 DHADLN Cc1ccc(C2=CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)cc1 ZINC000809976350 1026656182 /nfs/dbraw/zinc/65/61/82/1026656182.db2.gz MKJJDMKYDLEMNS-CYBMUJFWSA-N 0 2 301.283 3.511 20 0 DHADLN CCOC(=O)c1ccnc(-c2cc(F)c(O)c(Cl)c2)c1C ZINC001244500527 1026672265 /nfs/dbraw/zinc/67/22/65/1026672265.db2.gz QYIGFOZBOWCGTM-UHFFFAOYSA-N 0 2 309.724 3.732 20 0 DHADLN Cc1ccc(C[C@@H]2CCCN(C(=O)C(F)C(F)(F)F)C2)cc1 ZINC000810272628 1026733486 /nfs/dbraw/zinc/73/34/86/1026733486.db2.gz OKIPNLVXASYVEZ-UONOGXRCSA-N 0 2 317.326 3.677 20 0 DHADLN Cc1ccc(C[C@@H]2CCCN(C(=O)[C@@H](F)C(F)(F)F)C2)cc1 ZINC000810272628 1026733495 /nfs/dbraw/zinc/73/34/95/1026733495.db2.gz OKIPNLVXASYVEZ-UONOGXRCSA-N 0 2 317.326 3.677 20 0 DHADLN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C(F)C(F)(F)F ZINC000810446076 1026765127 /nfs/dbraw/zinc/76/51/27/1026765127.db2.gz NZQVDQFOCBXOFB-QWHCGFSZSA-N 0 2 305.315 3.675 20 0 DHADLN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC000810446076 1026765136 /nfs/dbraw/zinc/76/51/36/1026765136.db2.gz NZQVDQFOCBXOFB-QWHCGFSZSA-N 0 2 305.315 3.675 20 0 DHADLN O=C(C(F)C(F)(F)F)N(CCc1ccccc1)C1CCCC1 ZINC000810550726 1026778487 /nfs/dbraw/zinc/77/84/87/1026778487.db2.gz BRRIKJLGTIKFMC-CQSZACIVSA-N 0 2 317.326 3.901 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N(CCc1ccccc1)C1CCCC1 ZINC000810550726 1026778498 /nfs/dbraw/zinc/77/84/98/1026778498.db2.gz BRRIKJLGTIKFMC-CQSZACIVSA-N 0 2 317.326 3.901 20 0 DHADLN CC[C@H](CSc1ccccc1)NC(=O)C(F)C(F)(F)F ZINC000810715087 1026832086 /nfs/dbraw/zinc/83/20/86/1026832086.db2.gz CAMGQUDJKVDMNE-KOLCDFICSA-N 0 2 309.328 3.574 20 0 DHADLN CC[C@H](CSc1ccccc1)NC(=O)[C@H](F)C(F)(F)F ZINC000810715087 1026832091 /nfs/dbraw/zinc/83/20/91/1026832091.db2.gz CAMGQUDJKVDMNE-KOLCDFICSA-N 0 2 309.328 3.574 20 0 DHADLN CCC(C)(C)c1ccc(CNC(=O)C(F)C(F)(F)F)cc1 ZINC000810708273 1026837371 /nfs/dbraw/zinc/83/73/71/1026837371.db2.gz CDTPFNUTMDDNRH-LBPRGKRZSA-N 0 2 305.315 3.891 20 0 DHADLN CCC(C)(C)c1ccc(CNC(=O)[C@H](F)C(F)(F)F)cc1 ZINC000810708273 1026837384 /nfs/dbraw/zinc/83/73/84/1026837384.db2.gz CDTPFNUTMDDNRH-LBPRGKRZSA-N 0 2 305.315 3.891 20 0 DHADLN O=C(NCCCCCc1ccc(F)cc1)C(F)C(F)(F)F ZINC000811228493 1026958288 /nfs/dbraw/zinc/95/82/88/1026958288.db2.gz KGPFJEWXJLTCHG-GFCCVEGCSA-N 0 2 309.278 3.555 20 0 DHADLN O=C(NCCCCCc1ccc(F)cc1)[C@@H](F)C(F)(F)F ZINC000811228493 1026958292 /nfs/dbraw/zinc/95/82/92/1026958292.db2.gz KGPFJEWXJLTCHG-GFCCVEGCSA-N 0 2 309.278 3.555 20 0 DHADLN COCCCC[C@H](NC(=O)C(F)C(F)(F)F)c1ccccc1 ZINC000811478834 1027017089 /nfs/dbraw/zinc/01/70/89/1027017089.db2.gz WULBBCFWLVYLQP-QWHCGFSZSA-N 0 2 321.314 3.561 20 0 DHADLN COCCCC[C@H](NC(=O)[C@@H](F)C(F)(F)F)c1ccccc1 ZINC000811478834 1027017093 /nfs/dbraw/zinc/01/70/93/1027017093.db2.gz WULBBCFWLVYLQP-QWHCGFSZSA-N 0 2 321.314 3.561 20 0 DHADLN O=C(CSc1cc(Cl)ccc1Cl)NOC1CCC1 ZINC000812795119 1027421722 /nfs/dbraw/zinc/42/17/22/1027421722.db2.gz MIOZJUXNEVHKMD-UHFFFAOYSA-N 0 2 306.214 3.686 20 0 DHADLN O=C(c1c(O)cc(F)cc1F)N1CCCC2(CCCCC2)C1 ZINC000601041643 1027948703 /nfs/dbraw/zinc/94/87/03/1027948703.db2.gz QGODFIJXWLQRGY-UHFFFAOYSA-N 0 2 309.356 3.857 20 0 DHADLN CCC[C@H](C)N(C)C(=O)c1cc(Br)c(F)cc1O ZINC000448695074 1027976119 /nfs/dbraw/zinc/97/61/19/1027976119.db2.gz TVICGLGLKRZWJO-QMMMGPOBSA-N 0 2 318.186 3.554 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CC=C(c2ccccc2Cl)CC1 ZINC000368251298 1028325575 /nfs/dbraw/zinc/32/55/75/1028325575.db2.gz UABIJMUPZRJNIA-LBPRGKRZSA-N 0 2 321.701 3.856 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CC=C(c2ccccc2Cl)CC1 ZINC000368251298 1028325589 /nfs/dbraw/zinc/32/55/89/1028325589.db2.gz UABIJMUPZRJNIA-LBPRGKRZSA-N 0 2 321.701 3.856 20 0 DHADLN O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)C(F)C(F)(F)F ZINC000815108357 1028383081 /nfs/dbraw/zinc/38/30/81/1028383081.db2.gz IDUBOYRSYBRNIT-UPJWGTAASA-N 0 2 303.299 3.729 20 0 DHADLN O=C(N[C@@H]1CCCC[C@@H]1c1ccccc1)[C@H](F)C(F)(F)F ZINC000815108357 1028383092 /nfs/dbraw/zinc/38/30/92/1028383092.db2.gz IDUBOYRSYBRNIT-UPJWGTAASA-N 0 2 303.299 3.729 20 0 DHADLN Cc1csc(C(C#N)C(=O)Cc2cccc(C(F)(F)F)c2)n1 ZINC000041519866 1028740811 /nfs/dbraw/zinc/74/08/11/1028740811.db2.gz OZBOZKAMBTZZNK-GFCCVEGCSA-N 0 2 324.327 3.889 20 0 DHADLN Cc1csc([C@H](C#N)C(=O)Cc2cccc(C(F)(F)F)c2)n1 ZINC000041519866 1028740826 /nfs/dbraw/zinc/74/08/26/1028740826.db2.gz OZBOZKAMBTZZNK-GFCCVEGCSA-N 0 2 324.327 3.889 20 0 DHADLN CCc1c(C(=O)Nc2cc(Cl)cc(Cl)c2O)ccn1C ZINC000566709269 1028769712 /nfs/dbraw/zinc/76/97/12/1028769712.db2.gz HXUYNNZVAXICRS-UHFFFAOYSA-N 0 2 313.184 3.852 20 0 DHADLN CN1CCCC[C@H]1C(=O)Nc1cc(Cl)c(O)c2ccccc12 ZINC000628233380 1028953087 /nfs/dbraw/zinc/95/30/87/1028953087.db2.gz YIEDIOCCCOQKEK-HNNXBMFYSA-N 0 2 318.804 3.622 20 0 DHADLN Cc1cc(F)ccc1C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000816787942 1029004779 /nfs/dbraw/zinc/00/47/79/1029004779.db2.gz MSJDBZCGHLWJLW-ZDUSSCGKSA-N 0 2 321.289 3.741 20 0 DHADLN Cc1cc(F)ccc1C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000816787942 1029004789 /nfs/dbraw/zinc/00/47/89/1029004789.db2.gz MSJDBZCGHLWJLW-ZDUSSCGKSA-N 0 2 321.289 3.741 20 0 DHADLN Cc1cc(F)ccc1C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000816787941 1029005297 /nfs/dbraw/zinc/00/52/97/1029005297.db2.gz MSJDBZCGHLWJLW-CYBMUJFWSA-N 0 2 321.289 3.741 20 0 DHADLN Cc1cc(F)ccc1C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000816787941 1029005305 /nfs/dbraw/zinc/00/53/05/1029005305.db2.gz MSJDBZCGHLWJLW-CYBMUJFWSA-N 0 2 321.289 3.741 20 0 DHADLN Cc1ccc(C(C)(C)CNC(=O)C(F)C(F)(F)F)c(C)c1 ZINC000816981864 1029047579 /nfs/dbraw/zinc/04/75/79/1029047579.db2.gz DLGBYVVSCVYWAT-GFCCVEGCSA-N 0 2 305.315 3.598 20 0 DHADLN Cc1ccc(C(C)(C)CNC(=O)[C@@H](F)C(F)(F)F)c(C)c1 ZINC000816981864 1029047597 /nfs/dbraw/zinc/04/75/97/1029047597.db2.gz DLGBYVVSCVYWAT-GFCCVEGCSA-N 0 2 305.315 3.598 20 0 DHADLN O=C(NOCC1CC1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000817330594 1029129320 /nfs/dbraw/zinc/12/93/20/1029129320.db2.gz ONQFETYMKINEDI-UHFFFAOYSA-N 0 2 317.772 3.784 20 0 DHADLN O=C(NOCCC1CC1)C1(c2c(Cl)cccc2Cl)CC1 ZINC000817421123 1029155288 /nfs/dbraw/zinc/15/52/88/1029155288.db2.gz OPHKXDYOYYYVAY-UHFFFAOYSA-N 0 2 314.212 3.873 20 0 DHADLN OCCCC[N@@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000411827109 1029219654 /nfs/dbraw/zinc/21/96/54/1029219654.db2.gz ZKHXGFNBECEJIJ-HNNXBMFYSA-N 0 2 307.825 3.516 20 0 DHADLN O=C(NCC1(C(F)(F)F)CCCC1)c1cc(F)c(O)c(F)c1 ZINC000629468310 1029337203 /nfs/dbraw/zinc/33/72/03/1029337203.db2.gz ZQCOJINNZGVMKI-UHFFFAOYSA-N 0 2 323.261 3.523 20 0 DHADLN CC(C)(C)c1nc(=NC(=O)N2CCC(C(C)(C)C)CC2)s[nH]1 ZINC000530357120 1029825248 /nfs/dbraw/zinc/82/52/48/1029825248.db2.gz NZJGIZSEODRFSX-UHFFFAOYSA-N 0 2 324.494 3.548 20 0 DHADLN C[C@@H](NC(=O)C(F)C(F)(F)F)c1c(F)cccc1Cl ZINC000290261656 1029972866 /nfs/dbraw/zinc/97/28/66/1029972866.db2.gz AWWFBSSTJPNTBW-ANLVUFKYSA-N 0 2 301.642 3.557 20 0 DHADLN C[C@@H](NC(=O)[C@H](F)C(F)(F)F)c1c(F)cccc1Cl ZINC000290261656 1029972878 /nfs/dbraw/zinc/97/28/78/1029972878.db2.gz AWWFBSSTJPNTBW-ANLVUFKYSA-N 0 2 301.642 3.557 20 0 DHADLN C[C@H](NC(=O)C(F)C(F)(F)F)c1cc2ccccc2s1 ZINC000290243501 1029961874 /nfs/dbraw/zinc/96/18/74/1029961874.db2.gz MGUNCRFEKHZUKK-WRWORJQWSA-N 0 2 305.296 3.979 20 0 DHADLN C[C@H](NC(=O)[C@@H](F)C(F)(F)F)c1cc2ccccc2s1 ZINC000290243501 1029961896 /nfs/dbraw/zinc/96/18/96/1029961896.db2.gz 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ZINC000436941923 338294993 /nfs/dbraw/zinc/29/49/93/338294993.db2.gz GVVWVQPZCYKQDW-UHFFFAOYSA-N 0 2 319.332 3.815 20 0 DHADLN O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1cc(F)c(O)c(F)c1 ZINC000436972576 338296454 /nfs/dbraw/zinc/29/64/54/338296454.db2.gz UDJNFVGHPDHLPD-UHFFFAOYSA-N 0 2 314.291 3.918 20 0 DHADLN CC[C@@H](Cc1ccccc1)NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000436981367 338296613 /nfs/dbraw/zinc/29/66/13/338296613.db2.gz CELNABKAAHFYSF-ZDUSSCGKSA-N 0 2 321.779 3.936 20 0 DHADLN O=C(c1cc(F)c(O)c(Cl)c1)N(CC(F)F)CC1CCC1 ZINC000436982502 338296668 /nfs/dbraw/zinc/29/66/68/338296668.db2.gz HDQRVVQAWZEZPH-UHFFFAOYSA-N 0 2 321.726 3.692 20 0 DHADLN C[C@H]1CC[C@@]2(CCN(C(=O)c3cc(F)c(O)c(Cl)c3)C2)C1 ZINC000437000056 338297358 /nfs/dbraw/zinc/29/73/58/338297358.db2.gz KTUUDYUKXGFGAD-MGPLVRAMSA-N 0 2 311.784 3.837 20 0 DHADLN Cc1cnc(NS(=O)(=O)c2ccc(Cl)cc2Cl)s1 ZINC000438969646 338357442 /nfs/dbraw/zinc/35/74/42/338357442.db2.gz CJCNNBBTKROWFS-UHFFFAOYSA-N 0 2 323.226 3.559 20 0 DHADLN C[C@@H](C1CCCCC1)N(C)C(=O)c1cc(F)c(F)c(O)c1F ZINC000447318528 338549437 /nfs/dbraw/zinc/54/94/37/338549437.db2.gz SJKQZACNROFGNW-VIFPVBQESA-N 0 2 315.335 3.850 20 0 DHADLN CC[C@@H](C)C[C@H](C)NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000448000575 338573973 /nfs/dbraw/zinc/57/39/73/338573973.db2.gz NTKRURHFODYLAK-ZJUUUORDSA-N 0 2 324.475 3.635 20 0 DHADLN CC(=O)c1ccc(NC(=O)c2c(O)cccc2F)cc1Cl ZINC000166064432 339053137 /nfs/dbraw/zinc/05/31/37/339053137.db2.gz ZTKJVTKSBUHEQN-UHFFFAOYSA-N 0 2 307.708 3.640 20 0 DHADLN c1ccc(-c2nsc(NCCCOC3CCCCC3)n2)cc1 ZINC000461464287 339064193 /nfs/dbraw/zinc/06/41/93/339064193.db2.gz LAOJVNNOWGBLDE-UHFFFAOYSA-N 0 2 317.458 3.778 20 0 DHADLN CCCc1nsc(NCc2cccc(-c3cccnc3)c2)n1 ZINC000461944939 339069446 /nfs/dbraw/zinc/06/94/46/339069446.db2.gz WJFKPAPJUGLCJM-UHFFFAOYSA-N 0 2 310.426 3.587 20 0 DHADLN CC[C@@H](C)C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463159907 339107494 /nfs/dbraw/zinc/10/74/94/339107494.db2.gz CVAKTDQMRPLHAI-SSDOTTSWSA-N 0 2 313.188 3.763 20 0 DHADLN CCc1ccccc1NS(=O)(=O)c1c(F)cccc1Cl ZINC000463514965 339119405 /nfs/dbraw/zinc/11/94/05/339119405.db2.gz JEAIUURAEGHZPP-UHFFFAOYSA-N 0 2 313.781 3.842 20 0 DHADLN Cc1ccccc1C1(C(=O)Nc2ccc3nn[nH]c3c2)CCCC1 ZINC000464133622 339134927 /nfs/dbraw/zinc/13/49/27/339134927.db2.gz NSASUKHLVDGPRE-UHFFFAOYSA-N 0 2 320.396 3.717 20 0 DHADLN CC(C)CC1(C(=O)N=c2nc(-c3ccsc3)[nH]s2)CCC1 ZINC000464968462 339163763 /nfs/dbraw/zinc/16/37/63/339163763.db2.gz MXHVYFYTKAZWGZ-UHFFFAOYSA-N 0 2 321.471 3.843 20 0 DHADLN CCCS(=O)(=O)Nc1ncc(-c2ccc(C)cc2C)s1 ZINC000468834018 339272258 /nfs/dbraw/zinc/27/22/58/339272258.db2.gz FIKPJGCITJAYOF-UHFFFAOYSA-N 0 2 310.444 3.579 20 0 DHADLN CCc1csc(NS(=O)(=O)c2ccccc2C(C)C)n1 ZINC000468868961 339273163 /nfs/dbraw/zinc/27/31/63/339273163.db2.gz HSFUPJAMOQQSFT-UHFFFAOYSA-N 0 2 310.444 3.630 20 0 DHADLN Cc1ccc(Cl)cc1NS(=O)(=O)c1c(C)cccc1F ZINC000479490972 339537968 /nfs/dbraw/zinc/53/79/68/339537968.db2.gz QZRMRRVLRPBVHT-UHFFFAOYSA-N 0 2 313.781 3.897 20 0 DHADLN CC(C)(C)CCCCC(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000502519060 340106680 /nfs/dbraw/zinc/10/66/80/340106680.db2.gz LYSPGXQWSHLHBI-UHFFFAOYSA-N 0 2 318.446 3.567 20 0 DHADLN CC[C@H](C)CCC(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000505605606 340172519 /nfs/dbraw/zinc/17/25/19/340172519.db2.gz HCFVIBGVYQQERC-VIFPVBQESA-N 0 2 309.460 3.762 20 0 DHADLN Cc1cc2sc(NS(=O)(=O)c3ccsc3)nc2c(C)c1 ZINC000506847728 340202674 /nfs/dbraw/zinc/20/26/74/340202674.db2.gz AHNQKNQWJHTORF-UHFFFAOYSA-N 0 2 324.452 3.775 20 0 DHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)c1sccc1Cl ZINC000507458391 340220428 /nfs/dbraw/zinc/22/04/28/340220428.db2.gz GDVQTBIUAUQHLS-UHFFFAOYSA-N 0 2 321.814 3.594 20 0 DHADLN Cc1occc1-c1noc(-c2cccc(Br)c2O)n1 ZINC000516607409 340237491 /nfs/dbraw/zinc/23/74/91/340237491.db2.gz LHNJJAILRFPTMS-UHFFFAOYSA-N 0 2 321.130 3.773 20 0 DHADLN CC(C)=CCOc1cccc(C(=O)Nc2ccc3nn[nH]c3c2)c1 ZINC000508099804 340239185 /nfs/dbraw/zinc/23/91/85/340239185.db2.gz DZCQUDUTDKTCFX-UHFFFAOYSA-N 0 2 322.368 3.555 20 0 DHADLN CC[C@@H](Nc1nc([C@@H](C)OC)ns1)C(C)(C)c1ccccc1 ZINC000509548851 340273069 /nfs/dbraw/zinc/27/30/69/340273069.db2.gz KYECDVNKGADDIV-TZMCWYRMSA-N 0 2 319.474 3.836 20 0 DHADLN CO[C@H](C)c1nsc(N[C@@H]2CC[C@H](c3cccc(F)c3)C2)n1 ZINC000509918761 340282715 /nfs/dbraw/zinc/28/27/15/340282715.db2.gz IUWHUDMGSGOQTH-SCDSUCTJSA-N 0 2 321.421 3.555 20 0 DHADLN C[C@@H](CC1CCCC1)C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000510508306 340301289 /nfs/dbraw/zinc/30/12/89/340301289.db2.gz AKHPENHBUOOYSK-LBPRGKRZSA-N 0 2 315.442 3.782 20 0 DHADLN Cc1oc(C(C)C)cc1C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000510840739 340312636 /nfs/dbraw/zinc/31/26/36/340312636.db2.gz GRIXSAYEEBOZDY-UHFFFAOYSA-N 0 2 307.419 3.535 20 0 DHADLN CC1(C)CC(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C1 ZINC000511765496 340337629 /nfs/dbraw/zinc/33/76/29/340337629.db2.gz RVFBYIXJQVZJRS-UHFFFAOYSA-N 0 2 321.833 3.655 20 0 DHADLN CC(C)CCNC(=O)c1cc(Br)cc(Cl)c1O ZINC000303929598 340354330 /nfs/dbraw/zinc/35/43/30/340354330.db2.gz VIUWXUHVZUBVBN-UHFFFAOYSA-N 0 2 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MGZQPYIUYHOMFP-TVYUQYBPSA-N 0 2 319.298 3.505 20 0 DHADLN Cc1ccccc1C1=CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000365646171 525083480 /nfs/dbraw/zinc/08/34/80/525083480.db2.gz PJLZSJPBSYPBEO-ZDUSSCGKSA-N 0 2 301.283 3.511 20 0 DHADLN Cc1ccccc1C1=CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000365646171 525083491 /nfs/dbraw/zinc/08/34/91/525083491.db2.gz PJLZSJPBSYPBEO-ZDUSSCGKSA-N 0 2 301.283 3.511 20 0 DHADLN CC1(c2ccccc2)CC(NC(=O)c2cc(F)c(O)c(F)c2)C1 ZINC000273809998 535207541 /nfs/dbraw/zinc/20/75/41/535207541.db2.gz APVSCAXAEBRAQJ-UHFFFAOYSA-N 0 2 317.335 3.521 20 0 DHADLN C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827934707 601442223 /nfs/dbraw/zinc/44/22/23/601442223.db2.gz IKZJUUMBOPJRME-SDBXPKJASA-N 0 2 306.164 3.553 20 0 DHADLN C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827934707 601442226 /nfs/dbraw/zinc/44/22/26/601442226.db2.gz IKZJUUMBOPJRME-SDBXPKJASA-N 0 2 306.164 3.553 20 0 DHADLN CC(C)Oc1ccccc1C[N@H+](C)[C@H](C(=O)[O-])c1ccccc1 ZINC000736492796 600210984 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O=C([O-])c1sccc1C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000710846189 601811153 /nfs/dbraw/zinc/81/11/53/601811153.db2.gz YYLAFKCHVYCDBX-NSHDSACASA-N 0 2 308.428 3.630 20 0 DHADLN Cc1[nH]c2ccc(NC(=O)c3ccc(NC(=O)[O-])c(C)c3)cc2[nH+]1 ZINC000830784753 605809546 /nfs/dbraw/zinc/80/95/46/605809546.db2.gz AKKUNFZFNNFJOQ-UHFFFAOYSA-N 0 2 324.340 3.522 20 0 DHADLN CC(C)[N@H+](CC(=O)[O-])Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC000923244977 957103805 /nfs/dbraw/zinc/10/38/05/957103805.db2.gz ZLQNKGWYFUVOAU-UHFFFAOYSA-N 0 2 324.490 3.688 20 0 DHADLN CC(C)[N@@H+](CC(=O)[O-])Cc1nc2c(s1)C(C)(C)CC(C)(C)C2 ZINC000923244977 957103841 /nfs/dbraw/zinc/10/38/41/957103841.db2.gz ZLQNKGWYFUVOAU-UHFFFAOYSA-N 0 2 324.490 3.688 20 0 DHADLN C[N@H+](Cc1ccc(Cl)s1)Cc1ccc(C(=O)[O-])cc1F ZINC000062753835 957608963 /nfs/dbraw/zinc/60/89/63/957608963.db2.gz LIFUVTUSPNSTBB-UHFFFAOYSA-N 0 2 313.781 3.871 20 0 DHADLN C[N@@H+](Cc1ccc(Cl)s1)Cc1ccc(C(=O)[O-])cc1F ZINC000062753835 957608969 /nfs/dbraw/zinc/60/89/69/957608969.db2.gz LIFUVTUSPNSTBB-UHFFFAOYSA-N 0 2 313.781 3.871 20 0 DHADLN Cc1ccc(-c2csc(C[N@@H+]([C@H](C)C(=O)[O-])C3CC3)n2)cc1 ZINC001594335759 958263361 /nfs/dbraw/zinc/26/33/61/958263361.db2.gz JCMLBQCUYXWMNS-GFCCVEGCSA-N 0 2 316.426 3.556 20 0 DHADLN Cc1ccc(-c2csc(C[N@H+]([C@H](C)C(=O)[O-])C3CC3)n2)cc1 ZINC001594335759 958263371 /nfs/dbraw/zinc/26/33/71/958263371.db2.gz JCMLBQCUYXWMNS-GFCCVEGCSA-N 0 2 316.426 3.556 20 0 DHADLN C[C@H]1CC[N@H+](Cc2csc(-c3ccsc3)n2)[C@H](C(=O)[O-])C1 ZINC000129301489 958697517 /nfs/dbraw/zinc/69/75/17/958697517.db2.gz PIVGWMHKDHTAEA-GWCFXTLKSA-N 0 2 322.455 3.557 20 0 DHADLN C[C@H]1CC[N@@H+](Cc2csc(-c3ccsc3)n2)[C@H](C(=O)[O-])C1 ZINC000129301489 958697522 /nfs/dbraw/zinc/69/75/22/958697522.db2.gz PIVGWMHKDHTAEA-GWCFXTLKSA-N 0 2 322.455 3.557 20 0 DHADLN CSc1ccc([C@H](C)NC(=O)c2c(O)cc(F)cc2F)cc1 ZINC000066045326 1013342444 /nfs/dbraw/zinc/34/24/44/1013342444.db2.gz APYUAHANDFUZSX-VIFPVBQESA-N 0 2 323.364 3.883 20 0 DHADLN CC(C)C[N@H+](CC(=O)[O-])Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000316338966 964003910 /nfs/dbraw/zinc/00/39/10/964003910.db2.gz CTCHABXHPFDSIE-UHFFFAOYSA-N 0 2 322.792 3.538 20 0 DHADLN CC(C)C[N@@H+](CC(=O)[O-])Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000316338966 964003919 /nfs/dbraw/zinc/00/39/19/964003919.db2.gz CTCHABXHPFDSIE-UHFFFAOYSA-N 0 2 322.792 3.538 20 0 DHADLN Cc1cc(C)cc(C2CCN(C(=O)C(F)C(F)(F)F)CC2)c1 ZINC000891292825 1014189647 /nfs/dbraw/zinc/18/96/47/1014189647.db2.gz VOHBIABARSJBJR-CQSZACIVSA-N 0 2 317.326 3.910 20 0 DHADLN Cc1cc(C)cc(C2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)c1 ZINC000891292825 1014189649 /nfs/dbraw/zinc/18/96/49/1014189649.db2.gz VOHBIABARSJBJR-CQSZACIVSA-N 0 2 317.326 3.910 20 0 DHADLN CC(C)c1ccc2c(c1)CC[N@H+]([C@@H](C)c1nc(C(=O)[O-])co1)C2 ZINC001591974013 976583987 /nfs/dbraw/zinc/58/39/87/976583987.db2.gz NTOKBQOABZFSKB-LBPRGKRZSA-N 0 2 314.385 3.616 20 0 DHADLN CC(C)c1ccc2c(c1)CC[N@@H+]([C@@H](C)c1nc(C(=O)[O-])co1)C2 ZINC001591974013 976583996 /nfs/dbraw/zinc/58/39/96/976583996.db2.gz NTOKBQOABZFSKB-LBPRGKRZSA-N 0 2 314.385 3.616 20 0 DHADLN CSc1ccc(C[NH2+][C@H](C(=O)[O-])c2cc(C)cc(C)c2)o1 ZINC000901533701 980362340 /nfs/dbraw/zinc/36/23/40/980362340.db2.gz FMMPVRAVFLXKKT-HNNXBMFYSA-N 0 2 305.399 3.534 20 0 DHADLN CC[C@H](Nc1ccc(N2CCCCC2)[nH+]c1)C1(C(=O)[O-])CCC1 ZINC001595318045 980498600 /nfs/dbraw/zinc/49/86/00/980498600.db2.gz GFOZJFNLULXPNN-HNNXBMFYSA-N 0 2 317.433 3.517 20 0 DHADLN C[C@@H]([NH2+]c1ccc(N2CCCCC2)c(C(=O)[O-])c1)[C@H]1CC1(F)F ZINC000901774374 980504391 /nfs/dbraw/zinc/50/43/91/980504391.db2.gz HZMSEVKCJJTEOO-BXUZGUMPSA-N 0 2 324.371 3.831 20 0 DHADLN O=C([O-])c1cc(NC[C@@H]2CCSC2)ccc1[NH+]1CCCCC1 ZINC000901775884 980506677 /nfs/dbraw/zinc/50/66/77/980506677.db2.gz MVXPXCWCLFGRQW-ZDUSSCGKSA-N 0 2 320.458 3.540 20 0 DHADLN CCCC[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1OC)C(=O)[O-] ZINC001595638767 981950459 /nfs/dbraw/zinc/95/04/59/981950459.db2.gz DYXVPHFDZSRAFX-PBHICJAKSA-N 0 2 317.385 3.611 20 0 DHADLN C[C@H]1CCCC[C@@H]1CC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000521835238 1014817385 /nfs/dbraw/zinc/81/73/85/1014817385.db2.gz FRBGRWBSIRJYOL-WDEREUQCSA-N 0 2 321.471 3.843 20 0 DHADLN CCCCNc1[nH+]c2ccccc2n1Cc1occc1C(=O)[O-] ZINC001595763217 982470256 /nfs/dbraw/zinc/47/02/56/982470256.db2.gz DQRNYLNDHWITDI-UHFFFAOYSA-N 0 2 313.357 3.588 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2nc(C(C)C)c(C)s2)s1 ZINC000581618782 1015056158 /nfs/dbraw/zinc/05/61/58/1015056158.db2.gz OLLBVLGQXWGJQL-UHFFFAOYSA-N 0 2 316.473 3.746 20 0 DHADLN CCSCc1cc[nH+]c(N[C@@H]2CC[C@@H](CC(=O)[O-])[C@@H]2C)c1 ZINC001597267197 987301049 /nfs/dbraw/zinc/30/10/49/987301049.db2.gz HEZKTUQXGXONQF-FPMFFAJLSA-N 0 2 308.447 3.636 20 0 DHADLN CC(C)Cc1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)[nH]n1 ZINC000474421049 1015343226 /nfs/dbraw/zinc/34/32/26/1015343226.db2.gz JSUABBDYNQMEDH-UHFFFAOYSA-N 0 2 321.446 3.532 20 0 DHADLN CC(C)(C)Oc1cc[nH+]cc1NCc1ccc(C(=O)[O-])cc1F ZINC001590422326 989968654 /nfs/dbraw/zinc/96/86/54/989968654.db2.gz LVSIAJQVSJAGHI-UHFFFAOYSA-N 0 2 318.348 3.708 20 0 DHADLN C[N@H+](Cc1ccc(/C=C/C(=O)[O-])o1)Cc1ccccc1Cl ZINC001598517342 992633023 /nfs/dbraw/zinc/63/30/23/992633023.db2.gz DKIOBSJYRCJVFQ-CMDGGOBGSA-N 0 2 305.761 3.663 20 0 DHADLN C[N@@H+](Cc1ccc(/C=C/C(=O)[O-])o1)Cc1ccccc1Cl ZINC001598517342 992633027 /nfs/dbraw/zinc/63/30/27/992633027.db2.gz DKIOBSJYRCJVFQ-CMDGGOBGSA-N 0 2 305.761 3.663 20 0 DHADLN C[C@@H](NC(=O)C(F)C(F)(F)F)c1ccc(F)cc1Cl ZINC000277343437 1016227806 /nfs/dbraw/zinc/22/78/06/1016227806.db2.gz DSVIWWRGHDSVCD-ANLVUFKYSA-N 0 2 301.642 3.557 20 0 DHADLN C[C@@H](NC(=O)[C@H](F)C(F)(F)F)c1ccc(F)cc1Cl ZINC000277343437 1016227815 /nfs/dbraw/zinc/22/78/15/1016227815.db2.gz DSVIWWRGHDSVCD-ANLVUFKYSA-N 0 2 301.642 3.557 20 0 DHADLN Cc1cccc(CS(=O)(=O)Nc2nc(C3CCC3)cs2)c1 ZINC000582175042 1016468583 /nfs/dbraw/zinc/46/85/83/1016468583.db2.gz YCXABLHEYDXLBB-UHFFFAOYSA-N 0 2 322.455 3.661 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCCCc2sccc21 ZINC000684784897 1016467221 /nfs/dbraw/zinc/46/72/21/1016467221.db2.gz BDLJKOFJIIDJTM-UHFFFAOYSA-N 0 2 309.337 3.715 20 0 DHADLN O=C(Nc1ccc(F)c(Br)c1O)C1=CCCCC1 ZINC001146723216 1032240859 /nfs/dbraw/zinc/24/08/59/1032240859.db2.gz LIXYKKONNXHKGN-UHFFFAOYSA-N 0 2 314.154 3.733 20 0 DHADLN C[C@@H]1C[C@@H](CC(=O)Nc2ccc3nn[nH]c3c2)CC(C)(C)C1 ZINC001149025643 1032458346 /nfs/dbraw/zinc/45/83/46/1032458346.db2.gz MVSQYCLTMMMODV-NEPJUHHUSA-N 0 2 300.406 3.749 20 0 DHADLN CC[N@H+](C)c1ccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC001203333929 1032573193 /nfs/dbraw/zinc/57/31/93/1032573193.db2.gz LMXQMRHVKJTNMN-UHFFFAOYSA-N 0 2 306.312 3.863 20 0 DHADLN CC[N@@H+](C)c1ccc(Nc2cc(F)c(C(=O)[O-])c(F)c2)cc1 ZINC001203333929 1032573196 /nfs/dbraw/zinc/57/31/96/1032573196.db2.gz LMXQMRHVKJTNMN-UHFFFAOYSA-N 0 2 306.312 3.863 20 0 DHADLN C/C(=C/c1ccccc1)CN(C)C(=O)c1c(O)cc(F)cc1F ZINC000683183243 1012281729 /nfs/dbraw/zinc/28/17/29/1012281729.db2.gz VODBZROHUDAZBL-WQLSENKSSA-N 0 2 317.335 3.846 20 0 DHADLN C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)C(F)(F)F ZINC000760020657 1012827362 /nfs/dbraw/zinc/82/73/62/1012827362.db2.gz OFKJLVBYHJJQIC-ZCFIWIBFSA-N 0 2 300.107 3.603 20 0 DHADLN Cc1ccc(C[NH2+]Cc2cnc[nH]2)c(O[C@H](C)CC(C)C)c1 ZINC000894333081 1012838678 /nfs/dbraw/zinc/83/86/78/1012838678.db2.gz UOEPJRNJRLPYCF-OAHLLOKOSA-N 0 2 301.434 3.821 20 0 DHADLN Cc1ccc(C)c(CN(C)C(=O)c2cccc(Cl)c2O)c1 ZINC000760547190 1032689533 /nfs/dbraw/zinc/68/95/33/1032689533.db2.gz BCLUJVZAOXGZFW-UHFFFAOYSA-N 0 2 303.789 3.935 20 0 DHADLN CC(C)c1nsc(NC(=O)c2snc(Cl)c2Cl)n1 ZINC000874694000 1032707896 /nfs/dbraw/zinc/70/78/96/1032707896.db2.gz ZKBUOVIAMCPUDH-UHFFFAOYSA-N 0 2 323.230 3.677 20 0 DHADLN CC(C)c1n[nH]cc1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000445142848 1017769845 /nfs/dbraw/zinc/76/98/45/1017769845.db2.gz IKAQHWAMLFHAAP-UHFFFAOYSA-N 0 2 314.172 3.798 20 0 DHADLN CC(C)c1[nH]ncc1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000445142848 1017769857 /nfs/dbraw/zinc/76/98/57/1017769857.db2.gz IKAQHWAMLFHAAP-UHFFFAOYSA-N 0 2 314.172 3.798 20 0 DHADLN C[C@@H](C1CCCCC1)N(C)C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000446166798 1018075044 /nfs/dbraw/zinc/07/50/44/1018075044.db2.gz XSAUVHPLAPPUQX-NSHDSACASA-N 0 2 324.494 3.690 20 0 DHADLN O=C(C(F)C(F)(F)F)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000764472433 1018290095 /nfs/dbraw/zinc/29/00/95/1018290095.db2.gz LBUAYEVBPGKBOH-ZIAGYGMSSA-N 0 2 315.310 3.955 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000764472433 1018290109 /nfs/dbraw/zinc/29/01/09/1018290109.db2.gz LBUAYEVBPGKBOH-ZIAGYGMSSA-N 0 2 315.310 3.955 20 0 DHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)[C@H]1CC12CCCCC2 ZINC000477201933 1032767023 /nfs/dbraw/zinc/76/70/23/1032767023.db2.gz DKMOGXBCGYKEGL-LLVKDONJSA-N 0 2 319.455 3.597 20 0 DHADLN [NH3+]CC[C@@H]1CN(c2cc([S-])cc(S)c2)c2ccccc21 ZINC001168548430 1019000292 /nfs/dbraw/zinc/00/02/92/1019000292.db2.gz NMYLBFNUWIKPKB-LLVKDONJSA-N 0 2 302.468 3.848 20 0 DHADLN C[C@@H]1CN(C(=O)c2c(O)cc(F)cc2F)[C@@H]1c1ccccc1 ZINC000075286911 1019009757 /nfs/dbraw/zinc/00/97/57/1019009757.db2.gz UCDOMZAVVMAFQZ-HWPZZCPQSA-N 0 2 303.308 3.504 20 0 DHADLN O=S(=O)(Nc1cccc(Cl)c1)c1ccc(F)c(F)c1F ZINC000007402249 1019026433 /nfs/dbraw/zinc/02/64/33/1019026433.db2.gz FEZDETUZCXRACR-UHFFFAOYSA-N 0 2 321.707 3.558 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2ccc3ccn(C)c3c2)sc1C ZINC000091014967 1019429857 /nfs/dbraw/zinc/42/98/57/1019429857.db2.gz RMFQPUYVVFZLDV-UHFFFAOYSA-N 0 2 320.439 3.657 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2ccc(N(C)C)cc2C)sc1C ZINC000091051231 1019435923 /nfs/dbraw/zinc/43/59/23/1019435923.db2.gz OGETXLZKDRHFBL-UHFFFAOYSA-N 0 2 324.471 3.540 20 0 DHADLN O=C(c1c(O)cc(F)cc1F)N1CCC[C@H]1c1ccc(F)cc1 ZINC000066043421 1019477255 /nfs/dbraw/zinc/47/72/55/1019477255.db2.gz VXXGWTBVZDEVNM-AWEZNQCLSA-N 0 2 321.298 3.787 20 0 DHADLN Cc1cc([C@H](C)NC(=O)c2c(O)cc(F)cc2F)c(C)s1 ZINC000066044752 1019477584 /nfs/dbraw/zinc/47/75/84/1019477584.db2.gz VNHDUVWRGNXQSS-QMMMGPOBSA-N 0 2 311.353 3.840 20 0 DHADLN O=C(c1c(O)cc(F)cc1F)N1CCC[C@H]1c1ccsc1 ZINC000066046407 1019477993 /nfs/dbraw/zinc/47/79/93/1019477993.db2.gz FTLLVIOQKFQOEQ-LBPRGKRZSA-N 0 2 309.337 3.709 20 0 DHADLN O=S(=O)(Nc1cccc2[nH]cnc21)c1cccc2ccccc21 ZINC000083955224 1032836230 /nfs/dbraw/zinc/83/62/30/1032836230.db2.gz ZKFCLGHDSOKUAM-UHFFFAOYSA-N 0 2 323.377 3.517 20 0 DHADLN O=C(N=c1nc(-c2ccccc2)[nH]s1)[C@H]1CC12CCCCC2 ZINC000477466980 1032845357 /nfs/dbraw/zinc/84/53/57/1032845357.db2.gz IBIYTLBMMUDGFJ-CYBMUJFWSA-N 0 2 313.426 3.536 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)s1 ZINC000069572710 1020054483 /nfs/dbraw/zinc/05/44/83/1020054483.db2.gz XLQZFKFZJJCTTG-UHFFFAOYSA-N 0 2 301.820 3.819 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1 ZINC000069572713 1020055098 /nfs/dbraw/zinc/05/50/98/1020055098.db2.gz LRURLOZAORSSFP-UHFFFAOYSA-N 0 2 321.345 3.876 20 0 DHADLN CCC(CC)(C(=O)NOCc1cccc(C)n1)c1ccccc1 ZINC001168633963 1020440996 /nfs/dbraw/zinc/44/09/96/1020440996.db2.gz JNOMCFZCJNKVIJ-UHFFFAOYSA-N 0 2 312.413 3.696 20 0 DHADLN CC(C)Oc1cccc([C@H](C)Nc2[nH+]cccc2C(=O)[O-])c1 ZINC000613506385 1021010831 /nfs/dbraw/zinc/01/08/31/1021010831.db2.gz AXLRHLHJQGEFJJ-LBPRGKRZSA-N 0 2 300.358 3.740 20 0 DHADLN CC(C)[C@@H]1CN(Cc2cc(Cl)c(O)c(Cl)c2)CCO1 ZINC001140832860 1021101586 /nfs/dbraw/zinc/10/15/86/1021101586.db2.gz KTRYRKHLOVCFLU-ZDUSSCGKSA-N 0 2 304.217 3.556 20 0 DHADLN Cc1nc(C)c(NS(=O)(=O)c2c(C)cccc2Cl)s1 ZINC000414377223 1021154013 /nfs/dbraw/zinc/15/40/13/1021154013.db2.gz WDQFBVHKEWRGLO-UHFFFAOYSA-N 0 2 316.835 3.523 20 0 DHADLN C[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)c1ccccc1Cl ZINC000176933117 1021176958 /nfs/dbraw/zinc/17/69/58/1021176958.db2.gz FKQYJPZHYUQTRY-MRVPVSSYSA-N 0 2 311.715 3.815 20 0 DHADLN O=C(Nc1nc2ccccc2s1)c1cc(F)c(O)c(F)c1 ZINC000176990113 1021187159 /nfs/dbraw/zinc/18/71/59/1021187159.db2.gz IXAMMIVVDCSEHY-UHFFFAOYSA-N 0 2 306.293 3.532 20 0 DHADLN Cc1ccc(C)c(S(O)=CC(=O)NC2CCCCCCC2)c1 ZINC000107965371 1021355424 /nfs/dbraw/zinc/35/54/24/1021355424.db2.gz CYGWKTXLFUNIHS-JOCHJYFZSA-N 0 2 321.486 3.640 20 0 DHADLN CCC1=NN(c2ccc(-c3ccc(Cl)s3)nn2)C(=O)[C@H]1C ZINC000634614785 1021604432 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ZINC000768662438 1023006444 /nfs/dbraw/zinc/00/64/44/1023006444.db2.gz CJOWHXZJAXUEFH-SNVBAGLBSA-N 0 2 317.772 3.905 20 0 DHADLN CC(C)(CNC(=O)c1cccc(Cl)c1O)c1cccc(F)c1 ZINC001126099984 1023630045 /nfs/dbraw/zinc/63/00/45/1023630045.db2.gz YLXDHLQPXUDQBN-UHFFFAOYSA-N 0 2 321.779 3.892 20 0 DHADLN NC(=S)c1cnc(-c2cccc(S)c2)c2sccc21 ZINC001242864591 1023708887 /nfs/dbraw/zinc/70/88/87/1023708887.db2.gz SPTTWMHSKSPVLF-UHFFFAOYSA-N 0 2 302.449 3.886 20 0 DHADLN CCN(C(=O)C(F)C(F)(F)F)[C@@H](C)c1cccc(OC)c1 ZINC000788127570 1023852483 /nfs/dbraw/zinc/85/24/83/1023852483.db2.gz FVUJOSMIAJFFAA-CABZTGNLSA-N 0 2 307.287 3.505 20 0 DHADLN CCN(C(=O)[C@H](F)C(F)(F)F)[C@@H](C)c1cccc(OC)c1 ZINC000788127570 1023852487 /nfs/dbraw/zinc/85/24/87/1023852487.db2.gz FVUJOSMIAJFFAA-CABZTGNLSA-N 0 2 307.287 3.505 20 0 DHADLN CC(C)(C)C[N@H+](CC(=O)[O-])Cc1csc(-c2cccs2)n1 ZINC000662225135 1023995250 /nfs/dbraw/zinc/99/52/50/1023995250.db2.gz IYZAQVQXYPNDSP-UHFFFAOYSA-N 0 2 324.471 3.804 20 0 DHADLN CC(C)(C)C[N@@H+](CC(=O)[O-])Cc1csc(-c2cccs2)n1 ZINC000662225135 1023995264 /nfs/dbraw/zinc/99/52/64/1023995264.db2.gz IYZAQVQXYPNDSP-UHFFFAOYSA-N 0 2 324.471 3.804 20 0 DHADLN O=C(NOCC(F)F)C1(c2ccc(Cl)cc2)CCCCC1 ZINC000760145626 1024625340 /nfs/dbraw/zinc/62/53/40/1024625340.db2.gz CLKLUOVZBWRFEB-UHFFFAOYSA-N 0 2 317.763 3.855 20 0 DHADLN O=S(=O)(Nc1cc(O)cc(F)c1)c1csc2ccccc21 ZINC000350897546 1024863049 /nfs/dbraw/zinc/86/30/49/1024863049.db2.gz OYBKODKBXNJCBQ-UHFFFAOYSA-N 0 2 323.370 3.547 20 0 DHADLN CSCCONC(=O)C1(c2cccc(Cl)c2)CCCC1 ZINC000794183617 1025231043 /nfs/dbraw/zinc/23/10/43/1025231043.db2.gz MLELAXQVOOCIEF-UHFFFAOYSA-N 0 2 313.850 3.563 20 0 DHADLN COc1cc(NC(=O)c2cccc(Cl)c2O)c(C)cc1C ZINC000794364762 1025258149 /nfs/dbraw/zinc/25/81/49/1025258149.db2.gz HDMSZHBXEFYNTM-UHFFFAOYSA-N 0 2 305.761 3.923 20 0 DHADLN CC(=O)c1ccccc1C(=O)Nc1cc(F)cc(Cl)c1O ZINC000353889832 1025281309 /nfs/dbraw/zinc/28/13/09/1025281309.db2.gz NSTNMXZHRNBTMP-UHFFFAOYSA-N 0 2 307.708 3.640 20 0 DHADLN CC1(C)C[C@H](c2ccccc2)CN1C(=O)C(F)C(F)(F)F ZINC000885233525 1025291116 /nfs/dbraw/zinc/29/11/16/1025291116.db2.gz FWOOMMMMIQQQCJ-NWDGAFQWSA-N 0 2 303.299 3.682 20 0 DHADLN CC1(C)C[C@H](c2ccccc2)CN1C(=O)[C@@H](F)C(F)(F)F ZINC000885233525 1025291128 /nfs/dbraw/zinc/29/11/28/1025291128.db2.gz FWOOMMMMIQQQCJ-NWDGAFQWSA-N 0 2 303.299 3.682 20 0 DHADLN CC[N@H+](Cc1csc(-c2ccc(Cl)cc2)n1)[C@H](C)C(=O)[O-] ZINC000662217039 1025483274 /nfs/dbraw/zinc/48/32/74/1025483274.db2.gz SGVBVUJDPLSPIG-SNVBAGLBSA-N 0 2 324.833 3.759 20 0 DHADLN CC[N@@H+](Cc1csc(-c2ccc(Cl)cc2)n1)[C@H](C)C(=O)[O-] ZINC000662217039 1025483283 /nfs/dbraw/zinc/48/32/83/1025483283.db2.gz SGVBVUJDPLSPIG-SNVBAGLBSA-N 0 2 324.833 3.759 20 0 DHADLN Cc1cc2cc(CNC(=O)c3cccc(Cl)c3O)ccc2[nH]1 ZINC000804888398 1025506755 /nfs/dbraw/zinc/50/67/55/1025506755.db2.gz VPLHDGQIPUGLSK-UHFFFAOYSA-N 0 2 314.772 3.765 20 0 DHADLN CCCn1ccc2cc(NC(=O)c3ccc4[nH]nnc4c3)ccc21 ZINC000051432887 1025776179 /nfs/dbraw/zinc/77/61/79/1025776179.db2.gz GFMBVZYBURJLMF-UHFFFAOYSA-N 0 2 319.368 3.575 20 0 DHADLN CC[NH+](Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)CC1CCC1 ZINC000355595496 1025779601 /nfs/dbraw/zinc/77/96/01/1025779601.db2.gz BFJWIQKLQSGOLY-UHFFFAOYSA-N 0 2 307.507 3.532 20 0 DHADLN CCc1ccc(CN(C(=O)C(F)C(F)(F)F)C2CC2)cc1 ZINC000810066805 1026676693 /nfs/dbraw/zinc/67/66/93/1026676693.db2.gz OYIACZBLRUBFJE-ZDUSSCGKSA-N 0 2 303.299 3.640 20 0 DHADLN CCc1ccc(CN(C(=O)[C@H](F)C(F)(F)F)C2CC2)cc1 ZINC000810066805 1026676704 /nfs/dbraw/zinc/67/67/04/1026676704.db2.gz OYIACZBLRUBFJE-ZDUSSCGKSA-N 0 2 303.299 3.640 20 0 DHADLN O=C(Nc1nc(-c2ccccc2Cl)n[nH]1)C1(F)CCCCC1 ZINC000810133361 1026685418 /nfs/dbraw/zinc/68/54/18/1026685418.db2.gz IPZYRFRMMQFWCI-UHFFFAOYSA-N 0 2 322.771 3.736 20 0 DHADLN CC(C)(CNC(=O)C(F)C(F)(F)F)c1ccc(Cl)cc1 ZINC000810185353 1026701334 /nfs/dbraw/zinc/70/13/34/1026701334.db2.gz TZNYREPDQJVWFM-SNVBAGLBSA-N 0 2 311.706 3.634 20 0 DHADLN CC(C)(CNC(=O)[C@@H](F)C(F)(F)F)c1ccc(Cl)cc1 ZINC000810185353 1026701345 /nfs/dbraw/zinc/70/13/45/1026701345.db2.gz TZNYREPDQJVWFM-SNVBAGLBSA-N 0 2 311.706 3.634 20 0 DHADLN CCOc1ccccc1[C@@H](CC)NC(=O)C(F)C(F)(F)F ZINC000810306396 1026747155 /nfs/dbraw/zinc/74/71/55/1026747155.db2.gz HDAMMMURRKIXFL-ZYHUDNBSSA-N 0 2 307.287 3.553 20 0 DHADLN CCOc1ccccc1[C@@H](CC)NC(=O)[C@@H](F)C(F)(F)F ZINC000810306396 1026747162 /nfs/dbraw/zinc/74/71/62/1026747162.db2.gz HDAMMMURRKIXFL-ZYHUDNBSSA-N 0 2 307.287 3.553 20 0 DHADLN CCSc1ccc([C@@H](C)NC(=O)C(F)C(F)(F)F)cc1 ZINC000810347241 1026751637 /nfs/dbraw/zinc/75/16/37/1026751637.db2.gz XBXSMTOFAJMXHN-LDYMZIIASA-N 0 2 309.328 3.876 20 0 DHADLN CCSc1ccc([C@@H](C)NC(=O)[C@@H](F)C(F)(F)F)cc1 ZINC000810347241 1026751645 /nfs/dbraw/zinc/75/16/45/1026751645.db2.gz XBXSMTOFAJMXHN-LDYMZIIASA-N 0 2 309.328 3.876 20 0 DHADLN CCC[C@@H](CCc1ccccc1)NC(=O)C(F)C(F)(F)F ZINC000810436806 1026764110 /nfs/dbraw/zinc/76/41/10/1026764110.db2.gz SRNPKMXLISKKGA-STQMWFEESA-N 0 2 305.315 3.805 20 0 DHADLN CCC[C@@H](CCc1ccccc1)NC(=O)[C@H](F)C(F)(F)F ZINC000810436806 1026764120 /nfs/dbraw/zinc/76/41/20/1026764120.db2.gz SRNPKMXLISKKGA-STQMWFEESA-N 0 2 305.315 3.805 20 0 DHADLN COc1ccccc1[C@@H](CC(C)C)NC(=O)C(F)C(F)(F)F ZINC000810466495 1026764421 /nfs/dbraw/zinc/76/44/21/1026764421.db2.gz QGTHJQGWLJXLLD-YPMHNXCESA-N 0 2 321.314 3.799 20 0 DHADLN COc1ccccc1[C@@H](CC(C)C)NC(=O)[C@H](F)C(F)(F)F ZINC000810466495 1026764427 /nfs/dbraw/zinc/76/44/27/1026764427.db2.gz QGTHJQGWLJXLLD-YPMHNXCESA-N 0 2 321.314 3.799 20 0 DHADLN Cc1ccc(C(C)(C)CN(C)C(=O)C(F)C(F)(F)F)cc1 ZINC000810445004 1026766200 /nfs/dbraw/zinc/76/62/00/1026766200.db2.gz CPOFZNGYGBKBES-LBPRGKRZSA-N 0 2 305.315 3.631 20 0 DHADLN Cc1ccc(C(C)(C)CN(C)C(=O)[C@H](F)C(F)(F)F)cc1 ZINC000810445004 1026766208 /nfs/dbraw/zinc/76/62/08/1026766208.db2.gz CPOFZNGYGBKBES-LBPRGKRZSA-N 0 2 305.315 3.631 20 0 DHADLN CC[C@H](NC(=O)C(F)C(F)(F)F)C(C)(C)c1ccccc1 ZINC000810534922 1026777685 /nfs/dbraw/zinc/77/76/85/1026777685.db2.gz DGBFWJRIFVKJIZ-NWDGAFQWSA-N 0 2 305.315 3.759 20 0 DHADLN CC[C@H](NC(=O)[C@@H](F)C(F)(F)F)C(C)(C)c1ccccc1 ZINC000810534922 1026777698 /nfs/dbraw/zinc/77/76/98/1026777698.db2.gz DGBFWJRIFVKJIZ-NWDGAFQWSA-N 0 2 305.315 3.759 20 0 DHADLN CC[C@H](Cc1ccccc1)N(CC)C(=O)C(F)C(F)(F)F ZINC000810553716 1026780588 /nfs/dbraw/zinc/78/05/88/1026780588.db2.gz KYLPIQJIQIOPCE-OLZOCXBDSA-N 0 2 305.315 3.757 20 0 DHADLN CC[C@H](Cc1ccccc1)N(CC)C(=O)[C@H](F)C(F)(F)F ZINC000810553716 1026780598 /nfs/dbraw/zinc/78/05/98/1026780598.db2.gz KYLPIQJIQIOPCE-OLZOCXBDSA-N 0 2 305.315 3.757 20 0 DHADLN CC[C@@H](CSc1ccccc1)NC(=O)C(F)C(F)(F)F ZINC000810715090 1026832516 /nfs/dbraw/zinc/83/25/16/1026832516.db2.gz CAMGQUDJKVDMNE-ONGXEEELSA-N 0 2 309.328 3.574 20 0 DHADLN CC[C@@H](CSc1ccccc1)NC(=O)[C@H](F)C(F)(F)F ZINC000810715090 1026832523 /nfs/dbraw/zinc/83/25/23/1026832523.db2.gz CAMGQUDJKVDMNE-ONGXEEELSA-N 0 2 309.328 3.574 20 0 DHADLN Cc1ccc(C2(CNC(=O)C(F)C(F)(F)F)CCC2)cc1C ZINC000811471135 1027013665 /nfs/dbraw/zinc/01/36/65/1027013665.db2.gz FBGTXFTXZTVBQL-ZDUSSCGKSA-N 0 2 317.326 3.742 20 0 DHADLN Cc1ccc(C2(CNC(=O)[C@H](F)C(F)(F)F)CCC2)cc1C ZINC000811471135 1027013675 /nfs/dbraw/zinc/01/36/75/1027013675.db2.gz FBGTXFTXZTVBQL-ZDUSSCGKSA-N 0 2 317.326 3.742 20 0 DHADLN CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000364668812 1027867285 /nfs/dbraw/zinc/86/72/85/1027867285.db2.gz DGGKQDTYYMJDSI-OALUTQOASA-N 0 2 320.440 3.813 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000365640976 1027988821 /nfs/dbraw/zinc/98/88/21/1027988821.db2.gz DVHHMNOZSKZAAX-MFKMUULPSA-N 0 2 321.289 3.822 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000365640976 1027988849 /nfs/dbraw/zinc/98/88/49/1027988849.db2.gz DVHHMNOZSKZAAX-MFKMUULPSA-N 0 2 321.289 3.822 20 0 DHADLN COc1ccc([C@@H]2C[C@@H](C)CN2C(=O)C(F)C(F)(F)F)cc1 ZINC000368158280 1028315295 /nfs/dbraw/zinc/31/52/95/1028315295.db2.gz JWUGHZSMJNISBC-JIMOISOXSA-N 0 2 319.298 3.505 20 0 DHADLN COc1ccc([C@@H]2C[C@@H](C)CN2C(=O)[C@@H](F)C(F)(F)F)cc1 ZINC000368158280 1028315310 /nfs/dbraw/zinc/31/53/10/1028315310.db2.gz JWUGHZSMJNISBC-JIMOISOXSA-N 0 2 319.298 3.505 20 0 DHADLN CC(F)(F)C(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000815682124 1028600373 /nfs/dbraw/zinc/60/03/73/1028600373.db2.gz QQIVJJUBLFDLMG-MRVPVSSYSA-N 0 2 301.642 3.715 20 0 DHADLN Cc1oc(-c2ccsc2)nc1C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000566359903 1028708777 /nfs/dbraw/zinc/70/87/77/1028708777.db2.gz DFKZXBYMRPKKQP-AWEZNQCLSA-N 0 2 322.430 3.643 20 0 DHADLN Cc1oc(-c2ccsc2)nc1C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000566359903 1028708789 /nfs/dbraw/zinc/70/87/89/1028708789.db2.gz DFKZXBYMRPKKQP-AWEZNQCLSA-N 0 2 322.430 3.643 20 0 DHADLN Cc1csc(C(C#N)C(=O)Cc2ccc(-n3cccc3)cc2)n1 ZINC000041515559 1028740893 /nfs/dbraw/zinc/74/08/93/1028740893.db2.gz FMWDMNHZBNKZGC-INIZCTEOSA-N 0 2 321.405 3.661 20 0 DHADLN Cc1csc([C@@H](C#N)C(=O)Cc2ccc(-n3cccc3)cc2)n1 ZINC000041515559 1028740914 /nfs/dbraw/zinc/74/09/14/1028740914.db2.gz FMWDMNHZBNKZGC-INIZCTEOSA-N 0 2 321.405 3.661 20 0 DHADLN O=C(N[C@@H](c1ccccc1)C(F)F)c1cccc(Cl)c1O ZINC000817224815 1029090159 /nfs/dbraw/zinc/09/01/59/1029090159.db2.gz YPOFGLDQFZIXFZ-LBPRGKRZSA-N 0 2 311.715 3.782 20 0 DHADLN C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)C(F)C(F)(F)F ZINC000817461688 1029159847 /nfs/dbraw/zinc/15/98/47/1029159847.db2.gz VGCLXHXMSQRFCN-OCCSQVGLSA-N 0 2 321.289 3.650 20 0 DHADLN C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC000817461688 1029159855 /nfs/dbraw/zinc/15/98/55/1029159855.db2.gz VGCLXHXMSQRFCN-OCCSQVGLSA-N 0 2 321.289 3.650 20 0 DHADLN CC(=O)c1cccc(C[N@@H+]2CCCN(Cc3ccccc3)CC2)c1 ZINC000450246009 1029300203 /nfs/dbraw/zinc/30/02/03/1029300203.db2.gz TUVHVLRTEZNHCG-UHFFFAOYSA-N 0 2 322.452 3.597 20 0 DHADLN COc1ccc(F)cc1[C@H](C)/N=C/c1cc([N+](=O)[O-])ccc1O ZINC000044012215 1029305563 /nfs/dbraw/zinc/30/55/63/1029305563.db2.gz PHZSWPAVSURWQZ-NTOSSWPYSA-N 0 2 318.304 3.628 20 0 DHADLN Cc1ncsc1CN(C)Cc1c(O)ccc(Cl)c1F ZINC000191318673 1029371120 /nfs/dbraw/zinc/37/11/20/1029371120.db2.gz PNCASOVEBCHIOU-UHFFFAOYSA-N 0 2 300.786 3.582 20 0 DHADLN Cc1ccc(C(=O)N=c2nc(C3(C)CC3)[nH]s2)c(Cl)c1C ZINC000529698845 1029522756 /nfs/dbraw/zinc/52/27/56/1029522756.db2.gz NXTICAXNIRUFQP-UHFFFAOYSA-N 0 2 321.833 3.534 20 0 DHADLN CON(C(=O)c1cc(F)c(O)c(F)c1)[C@H](C)c1ccccc1C ZINC000820026604 1029643827 /nfs/dbraw/zinc/64/38/27/1029643827.db2.gz DKXSQNPLPZYEFU-LLVKDONJSA-N 0 2 321.323 3.744 20 0 DHADLN Cc1ccccc1C1(C(=O)NOCCOC(C)C)CCCCC1 ZINC000795064087 1030721562 /nfs/dbraw/zinc/72/15/62/1030721562.db2.gz FFFKMAGHXQGSQM-UHFFFAOYSA-N 0 2 319.445 3.670 20 0 DHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCCC[C@@H]1C1CCC1 ZINC000844124041 1030965972 /nfs/dbraw/zinc/96/59/72/1030965972.db2.gz MKVMCCJNPFDQMF-CQSZACIVSA-N 0 2 311.784 3.980 20 0 DHADLN O=C(NOCCCC(F)(F)F)C1(c2cccc(F)c2)CCC1 ZINC000871212071 1031163327 /nfs/dbraw/zinc/16/33/27/1031163327.db2.gz IFPRLVNNEZGJCQ-UHFFFAOYSA-N 0 2 319.298 3.638 20 0 DHADLN Fc1ccccc1[C@@H]1CC[C@H](Nc2nc(C3CC3)ns2)C1 ZINC000360275074 1031356238 /nfs/dbraw/zinc/35/62/38/1031356238.db2.gz PEZAYWOOLXDMQR-NEPJUHHUSA-N 0 2 303.406 3.725 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCCC[C@@H]1Cc1ccccc1F ZINC000844881173 1031380467 /nfs/dbraw/zinc/38/04/67/1031380467.db2.gz NUGCKDPEHHOSFV-DGCLKSJQSA-N 0 2 321.289 3.650 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCCC[C@@H]1Cc1ccccc1F ZINC000844881173 1031380484 /nfs/dbraw/zinc/38/04/84/1031380484.db2.gz NUGCKDPEHHOSFV-DGCLKSJQSA-N 0 2 321.289 3.650 20 0 DHADLN CC(C)[C@H]1C[C@H]1C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000476026119 1031546899 /nfs/dbraw/zinc/54/68/99/1031546899.db2.gz UQDZPVFNZDCGMF-GHMZBOCLSA-N 0 2 321.833 3.511 20 0 DHADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)NC1CCCCCC1 ZINC000460135724 1031566198 /nfs/dbraw/zinc/56/61/98/1031566198.db2.gz WBCUCARSZODKNS-UHFFFAOYSA-N 0 2 322.459 3.533 20 0 DHADLN O=C(NOCCC(F)(F)F)C1(c2ccccc2Cl)CCC1 ZINC000845960123 1031794649 /nfs/dbraw/zinc/79/46/49/1031794649.db2.gz HQCUCKSBDLKMHI-UHFFFAOYSA-N 0 2 321.726 3.762 20 0 DHADLN Cc1csc([C@H](C)CNc2nc(C3CCCC3)ns2)n1 ZINC000561454277 1031913688 /nfs/dbraw/zinc/91/36/88/1031913688.db2.gz HURJAGYIWDCZJZ-SECBINFHSA-N 0 2 308.476 3.598 20 0 DHADLN CCOc1ccccc1-c1noc(-c2ncc(C(F)(F)F)[nH]2)n1 ZINC001212689707 1033462121 /nfs/dbraw/zinc/46/21/21/1033462121.db2.gz NGYMBVJECGLFFN-UHFFFAOYSA-N 0 2 324.262 3.544 20 0 DHADLN CC(C)(C)C(C)(C)C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000553021528 1033580390 /nfs/dbraw/zinc/58/03/90/1033580390.db2.gz QRQSKFGXXFCHHA-UHFFFAOYSA-N 0 2 303.431 3.638 20 0 DHADLN CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)C(F)C(F)(F)F ZINC000862991775 1033972522 /nfs/dbraw/zinc/97/25/22/1033972522.db2.gz CDDAKVGYLQWMSR-RYUDHWBXSA-N 0 2 321.289 3.821 20 0 DHADLN CC1(C)[C@H](c2ccc(F)cc2)CCN1C(=O)[C@H](F)C(F)(F)F ZINC000862991775 1033972526 /nfs/dbraw/zinc/97/25/26/1033972526.db2.gz CDDAKVGYLQWMSR-RYUDHWBXSA-N 0 2 321.289 3.821 20 0 DHADLN O=C(N[C@H]1CCCc2ccc(Cl)cc21)C(F)C(F)(F)F ZINC000863208584 1034022722 /nfs/dbraw/zinc/02/27/22/1034022722.db2.gz KAUMXAYDNBBTLV-WDEREUQCSA-N 0 2 309.690 3.734 20 0 DHADLN O=C(N[C@H]1CCCc2ccc(Cl)cc21)[C@@H](F)C(F)(F)F ZINC000863208584 1034022728 /nfs/dbraw/zinc/02/27/28/1034022728.db2.gz KAUMXAYDNBBTLV-WDEREUQCSA-N 0 2 309.690 3.734 20 0 DHADLN C[C@H]1c2sccc2CCN1Cc1nc(=O)c2sccc2[nH]1 ZINC000880378063 1034311992 /nfs/dbraw/zinc/31/19/92/1034311992.db2.gz NBIMSLUAAOHWNS-VIFPVBQESA-N 0 2 317.439 3.578 20 0 DHADLN O=C([O-])c1cc(Nc2ccc(N3CCCCC3)[nH+]c2)ccc1F ZINC001175216204 1034871783 /nfs/dbraw/zinc/87/17/83/1034871783.db2.gz WYDSYQMREASOSQ-UHFFFAOYSA-N 0 2 315.348 3.653 20 0 DHADLN O=C([O-])c1cc(Cl)ccc1C[N@@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001142647291 1034913702 /nfs/dbraw/zinc/91/37/02/1034913702.db2.gz VEOOHWVPVUOYSE-LBPRGKRZSA-N 0 2 321.726 3.607 20 0 DHADLN O=C([O-])c1cc(Cl)ccc1C[N@H+]1CCCC(F)(F)[C@@H](F)C1 ZINC001142647291 1034913713 /nfs/dbraw/zinc/91/37/13/1034913713.db2.gz VEOOHWVPVUOYSE-LBPRGKRZSA-N 0 2 321.726 3.607 20 0 DHADLN O=C([O-])C1(c2ccc(Nc3cccc(-n4cc[nH+]c4)c3)cc2)CC1 ZINC001176586441 1035290007 /nfs/dbraw/zinc/29/00/07/1035290007.db2.gz GPMMJNUVELVFJR-UHFFFAOYSA-N 0 2 319.364 3.732 20 0 DHADLN Cc1cccc([C@@H]([NH2+]Cc2cnc(CC(C)C)s2)C(=O)[O-])c1 ZINC000904265273 1035389850 /nfs/dbraw/zinc/38/98/50/1035389850.db2.gz WPRUBIYQFJPOQI-MRXNPFEDSA-N 0 2 318.442 3.566 20 0 DHADLN N[C@H](c1nc(-c2ccc(O)c(F)c2)no1)C1CCCCCC1 ZINC000904691096 1035440816 /nfs/dbraw/zinc/44/08/16/1035440816.db2.gz WIJHXXXFGFUAGO-AWEZNQCLSA-N 0 2 305.353 3.552 20 0 DHADLN Cn1ccc2cccc(NS(=O)(=O)c3ccccc3Cl)c21 ZINC000190849505 1035640344 /nfs/dbraw/zinc/64/03/44/1035640344.db2.gz XVDVPFFBOKIHDF-UHFFFAOYSA-N 0 2 320.801 3.633 20 0 DHADLN Oc1c(Cl)cccc1-c1nc(Cc2cc(F)cc(F)c2)no1 ZINC000761636285 1035647626 /nfs/dbraw/zinc/64/76/26/1035647626.db2.gz QMOQBOXDENDYRR-UHFFFAOYSA-N 0 2 322.698 3.965 20 0 DHADLN O=S(=O)(Nc1ccccn1)c1cccc2c(Cl)cccc21 ZINC001194404581 1035922211 /nfs/dbraw/zinc/92/22/11/1035922211.db2.gz TYWJFBDBZSWOCV-UHFFFAOYSA-N 0 2 318.785 3.689 20 0 DHADLN CC(C)c1cccc(S(=O)(=O)Nc2nc3c(s2)CCC3)c1 ZINC001195115295 1036139386 /nfs/dbraw/zinc/13/93/86/1036139386.db2.gz COJDBROOOXYKBV-UHFFFAOYSA-N 0 2 322.455 3.556 20 0 DHADLN C[C@@H]1CN(C(=O)c2cccc(Cl)c2O)Cc2ccccc21 ZINC000775641953 1036158754 /nfs/dbraw/zinc/15/87/54/1036158754.db2.gz FLVJHVJXDZXDLC-LLVKDONJSA-N 0 2 301.773 3.805 20 0 DHADLN COc1ccc([C@@H](C)NC(=O)c2cccc(Cl)c2O)cc1F ZINC000775645685 1036173593 /nfs/dbraw/zinc/17/35/93/1036173593.db2.gz DTHUAGUXZBSBBT-SECBINFHSA-N 0 2 323.751 3.684 20 0 DHADLN O=C(Nc1ccccc1N1CCCC1)c1cccc(Cl)c1O ZINC000775649579 1036223494 /nfs/dbraw/zinc/22/34/94/1036223494.db2.gz LKVPWUXSNLHZDU-UHFFFAOYSA-N 0 2 316.788 3.898 20 0 DHADLN CCN(C(=O)c1cccc(Cl)c1O)c1ccc(OC)cc1 ZINC000775654756 1036247668 /nfs/dbraw/zinc/24/76/68/1036247668.db2.gz OQHKORLAGVZUEV-UHFFFAOYSA-N 0 2 305.761 3.721 20 0 DHADLN O=C(Nc1cccc(OC(F)F)c1)c1cccc(Cl)c1O ZINC000775659226 1036265112 /nfs/dbraw/zinc/26/51/12/1036265112.db2.gz GPDVRUAQTANANQ-UHFFFAOYSA-N 0 2 313.687 3.899 20 0 DHADLN Cc1ccc(C(=O)N=c2nc(C(C)(C)C)[nH]s2)c(Cl)c1C ZINC000541233548 1036267553 /nfs/dbraw/zinc/26/75/53/1036267553.db2.gz JBFLPQFAOSVLGF-UHFFFAOYSA-N 0 2 323.849 3.780 20 0 DHADLN c1ccc(-c2nnc(C[NH2+][C@H]3CCCNc4ccccc43)[nH]2)cc1 ZINC000774316642 1036286296 /nfs/dbraw/zinc/28/62/96/1036286296.db2.gz UYJSATYPGQWISD-KRWDZBQOSA-N 0 2 319.412 3.508 20 0 DHADLN CC(C)(C)C[C@H](O)CC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000486891664 1036446190 /nfs/dbraw/zinc/44/61/90/1036446190.db2.gz DGJVBXYMZATJAJ-SECBINFHSA-N 0 2 320.216 3.825 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2ccnc(C3CCC3)c2)c(F)c1 ZINC001196354901 1036512909 /nfs/dbraw/zinc/51/29/09/1036512909.db2.gz YUMOXLWFQUVYGN-UHFFFAOYSA-N 0 2 320.389 3.597 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)c(F)c1 ZINC001196379886 1036517354 /nfs/dbraw/zinc/51/73/54/1036517354.db2.gz FRBTXAOCVLMUAS-UHFFFAOYSA-N 0 2 323.389 3.722 20 0 DHADLN O=C(Nc1cc(Cl)cc2[nH]ccc21)c1cc(Cl)ncc1O ZINC001196396402 1036523190 /nfs/dbraw/zinc/52/31/90/1036523190.db2.gz IBFGEVHMHDKFMK-UHFFFAOYSA-N 0 2 322.151 3.828 20 0 DHADLN CN(C)c1ccccc1NC(=O)c1cc(Cl)c(F)cc1O ZINC001196467239 1036538980 /nfs/dbraw/zinc/53/89/80/1036538980.db2.gz OBOTXUZNKZEKPU-UHFFFAOYSA-N 0 2 308.740 3.503 20 0 DHADLN O=C(c1cccc(Cl)c1O)N1CC[C@H](c2ccccc2F)C1 ZINC000775724160 1036558480 /nfs/dbraw/zinc/55/84/80/1036558480.db2.gz HHKQHGPMPWVDHU-NSHDSACASA-N 0 2 319.763 3.814 20 0 DHADLN O=C(Nc1ccccc1SC(F)F)c1ccc2[nH]nnc2c1 ZINC000032271612 1036592579 /nfs/dbraw/zinc/59/25/79/1036592579.db2.gz LVHGWZDCCMFVCX-UHFFFAOYSA-N 0 2 320.324 3.525 20 0 DHADLN C[C@@H]1CN(C(=O)c2cccc(Cl)c2O)c2ccc(F)cc2O1 ZINC000775756536 1036665625 /nfs/dbraw/zinc/66/56/25/1036665625.db2.gz LQRZFHAOLCORPH-SECBINFHSA-N 0 2 321.735 3.612 20 0 DHADLN Cn1cccc1[C@H]1CCCCN1C(=O)c1cccc(Cl)c1O ZINC000775768282 1036741030 /nfs/dbraw/zinc/74/10/30/1036741030.db2.gz MXPIFDIWFSNDKI-OAHLLOKOSA-N 0 2 318.804 3.752 20 0 DHADLN Cc1ccc(NC(=S)Nc2ccnc(Cl)c2O)c(C)c1 ZINC001197966275 1036918040 /nfs/dbraw/zinc/91/80/40/1036918040.db2.gz SQSCHUTVYUKKBL-UHFFFAOYSA-N 0 2 307.806 3.866 20 0 DHADLN Fc1ccc2cc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)[nH]c2c1 ZINC000488314027 1036958999 /nfs/dbraw/zinc/95/89/99/1036958999.db2.gz NXQHOCHGMARLQL-AWEZNQCLSA-N 0 2 324.403 3.636 20 0 DHADLN C[C@H]1C[C@H](c2ccccc2)[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348837394 1037536764 /nfs/dbraw/zinc/53/67/64/1037536764.db2.gz HQPFROHJTQFBHF-WMLDXEAASA-N 0 2 315.486 3.788 20 0 DHADLN O=C(CC[C@H]1CCCO1)Nc1cc(Cl)cc(Cl)c1O ZINC000220326525 1037930038 /nfs/dbraw/zinc/93/00/38/1037930038.db2.gz NJLFPAHKZATJFI-SECBINFHSA-N 0 2 304.173 3.597 20 0 DHADLN CCCc1csc(NS(=O)(=O)c2ccccc2Cl)n1 ZINC000127270197 1038165091 /nfs/dbraw/zinc/16/50/91/1038165091.db2.gz PTAAEUVYSGDHNN-UHFFFAOYSA-N 0 2 316.835 3.550 20 0 DHADLN Cc1cccc(NS(=O)(=O)c2cc(F)cc(F)c2F)c1C ZINC001190348339 1038303030 /nfs/dbraw/zinc/30/30/30/1038303030.db2.gz NZLWUBUPMIKNPT-UHFFFAOYSA-N 0 2 315.316 3.522 20 0 DHADLN COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cccs1 ZINC001191662336 1038530317 /nfs/dbraw/zinc/53/03/17/1038530317.db2.gz CSRGHZFLAXTSQY-UHFFFAOYSA-N 0 2 311.428 3.681 20 0 DHADLN Cc1cccc(Cl)c1NS(=O)(=O)C(Cl)(Cl)Cl ZINC001191996086 1038573750 /nfs/dbraw/zinc/57/37/50/1038573750.db2.gz BWAKOYFPVBARCS-UHFFFAOYSA-N 0 2 323.028 3.718 20 0 DHADLN O=C(c1cc(F)c(O)cc1F)N1CCC[C@@H]1C1CCCCC1 ZINC001192867788 1038706008 /nfs/dbraw/zinc/70/60/08/1038706008.db2.gz RYNMAJDDRWZTCN-OAHLLOKOSA-N 0 2 309.356 3.855 20 0 DHADLN CC1(C)CN(C(=O)c2cc(F)c(O)cc2F)Cc2ccccc21 ZINC001192871761 1038706199 /nfs/dbraw/zinc/70/61/99/1038706199.db2.gz FUNYQCSJORTBQB-UHFFFAOYSA-N 0 2 317.335 3.604 20 0 DHADLN O=C(Nc1cc2ccccc2cc1O)c1cc(F)c(O)cc1F ZINC001192872952 1038706511 /nfs/dbraw/zinc/70/65/11/1038706511.db2.gz WCMDIGIXJZUHBQ-UHFFFAOYSA-N 0 2 315.275 3.782 20 0 DHADLN O=C(Nc1cc(Cl)cc2ncoc21)c1cc(F)c(O)cc1F ZINC001192880082 1038715834 /nfs/dbraw/zinc/71/58/34/1038715834.db2.gz VDXAMTGYPWTXKQ-UHFFFAOYSA-N 0 2 324.670 3.717 20 0 DHADLN Cc1ccnc2cc(NC(=O)c3cc(F)c(O)cc3F)ccc12 ZINC001192879539 1038716005 /nfs/dbraw/zinc/71/60/05/1038716005.db2.gz HTZFWIDSARDKIL-UHFFFAOYSA-N 0 2 314.291 3.779 20 0 DHADLN CC(C)(O)c1cccc(NC(=O)c2cccc(Cl)c2O)c1 ZINC000760870076 1038961819 /nfs/dbraw/zinc/96/18/19/1038961819.db2.gz PMXHWMQUFFWCII-UHFFFAOYSA-N 0 2 305.761 3.525 20 0 DHADLN O=C(NC1(c2cccc(Cl)c2)CC1)c1c(O)cc(F)cc1F ZINC000607191417 1040115204 /nfs/dbraw/zinc/11/52/04/1040115204.db2.gz BFFQGBUKPIROBW-UHFFFAOYSA-N 0 2 323.726 3.743 20 0 DHADLN C[C@@H](CNC(=O)c1c(O)cc(F)cc1F)Sc1ccccc1 ZINC000608474906 1040505226 /nfs/dbraw/zinc/50/52/26/1040505226.db2.gz VHAKCWGWIZIARO-JTQLQIEISA-N 0 2 323.364 3.581 20 0 DHADLN O=C(c1c(O)cc(F)cc1F)N1CCC(C2CCCC2)CC1 ZINC000608475264 1040506816 /nfs/dbraw/zinc/50/68/16/1040506816.db2.gz RRYAFVNBJZZUAY-UHFFFAOYSA-N 0 2 309.356 3.713 20 0 DHADLN C[C@@H]1CCN(C(=O)c2c(O)cc(F)cc2F)[C@H](c2ccco2)C1 ZINC000608490625 1040520551 /nfs/dbraw/zinc/52/05/51/1040520551.db2.gz RNSQBBDCFZBCSH-MFKMUULPSA-N 0 2 321.323 3.877 20 0 DHADLN O=C(NOCCC(F)(F)F)C1(c2cccc(F)c2)CCCC1 ZINC000275158309 130295569 /nfs/dbraw/zinc/29/55/69/130295569.db2.gz AKMIXDSVALAZBB-UHFFFAOYSA-N 0 2 319.298 3.638 20 0 DHADLN FC(F)(F)c1cccc([C@@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)c1 ZINC000285513672 131175659 /nfs/dbraw/zinc/17/56/59/131175659.db2.gz GECRJWNKJRQAMH-OAHLLOKOSA-N 0 2 323.362 3.782 20 0 DHADLN CN(C(=O)[C@H](F)C(F)(F)F)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297168377 132002555 /nfs/dbraw/zinc/00/25/55/132002555.db2.gz JRFOZEURAYTQNQ-UPJWGTAASA-N 0 2 303.299 3.682 20 0 DHADLN CN(C(=O)C(F)C(F)(F)F)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297168377 132002557 /nfs/dbraw/zinc/00/25/57/132002557.db2.gz JRFOZEURAYTQNQ-UPJWGTAASA-N 0 2 303.299 3.682 20 0 DHADLN Cc1ccc(C[NH2+][C@@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)o1 ZINC000340693047 132156536 /nfs/dbraw/zinc/15/65/36/132156536.db2.gz XGKZXCROOXHDTL-APWZRJJASA-N 0 2 313.397 3.801 20 0 DHADLN Cc1ccc(C[NH2+][C@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)o1 ZINC000340693050 132157113 /nfs/dbraw/zinc/15/71/13/132157113.db2.gz XGKZXCROOXHDTL-VQIMIIECSA-N 0 2 313.397 3.801 20 0 DHADLN Cc1ccc(C[NH2+][C@@]2(C(=O)[O-])C[C@H](C(C)C)c3ccccc32)nc1 ZINC000340690315 132158350 /nfs/dbraw/zinc/15/83/50/132158350.db2.gz KXIORPVRPRZYPZ-XLIONFOSSA-N 0 2 324.424 3.603 20 0 DHADLN CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CCCn2cc[nH+]c2)o1 ZINC000343317122 335070350 /nfs/dbraw/zinc/07/03/50/335070350.db2.gz CALGGYXWGBEFAI-DOTOQJQBSA-N 0 2 301.434 3.902 20 0 DHADLN O=c1nc(-c2ccccn2)[nH]c2cc(-c3ccc(F)cc3)sc21 ZINC000518459321 332052103 /nfs/dbraw/zinc/05/21/03/332052103.db2.gz MNMBPRKSRRQTGY-UHFFFAOYSA-N 0 2 323.352 3.853 20 0 DHADLN O=C([O-])[C@H]([NH2+]Cc1ccc(Oc2ccccc2)o1)c1ccccc1 ZINC000426813048 332157051 /nfs/dbraw/zinc/15/70/51/332157051.db2.gz UTGJOSSPPWICAU-GOSISDBHSA-N 0 2 323.348 3.987 20 0 DHADLN C[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2O)CCC1=O ZINC000408219710 332319817 /nfs/dbraw/zinc/31/98/17/332319817.db2.gz PTAHHISCKYSFBJ-SFYZADRCSA-N 0 2 316.184 3.643 20 0 DHADLN Cc1cscc1NS(=O)(=O)c1cc(F)ccc1Cl ZINC000161590989 332758684 /nfs/dbraw/zinc/75/86/84/332758684.db2.gz UHTZNACBMJJJOC-UHFFFAOYSA-N 0 2 305.783 3.650 20 0 DHADLN O=C(Nc1cccc(OC(F)F)c1)c1cc(F)c(O)c(F)c1 ZINC000177070471 332969427 /nfs/dbraw/zinc/96/94/27/332969427.db2.gz DSANQXXSRUWHCR-UHFFFAOYSA-N 0 2 315.222 3.524 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2nccc3sccc32)ccc1F ZINC000182022519 333148321 /nfs/dbraw/zinc/14/83/21/333148321.db2.gz BSDPCVBKGLJQBY-UHFFFAOYSA-N 0 2 322.386 3.545 20 0 DHADLN O=C(Nc1cccc2c1CCCC2)c1cc(F)c(F)c(O)c1F ZINC000498598666 333289396 /nfs/dbraw/zinc/28/93/96/333289396.db2.gz AJCFKYIOTMUUSE-UHFFFAOYSA-N 0 2 321.298 3.941 20 0 DHADLN CC(C)(C)Cc1csc(NS(=O)(=O)Cc2ccccc2)n1 ZINC000540651231 333338155 /nfs/dbraw/zinc/33/81/55/333338155.db2.gz QJQRHAJGJHZGFI-UHFFFAOYSA-N 0 2 324.471 3.674 20 0 DHADLN O=C(c1cc(F)c(O)c(Cl)c1)N1CCCc2cc(F)ccc21 ZINC000184282085 333354184 /nfs/dbraw/zinc/35/41/84/333354184.db2.gz OIDJQFXXPFFCFV-UHFFFAOYSA-N 0 2 323.726 3.917 20 0 DHADLN CC(C)COc1ccccc1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000186663225 333376087 /nfs/dbraw/zinc/37/60/87/333376087.db2.gz PNWFZZDKJPPLMQ-UHFFFAOYSA-N 0 2 321.323 3.958 20 0 DHADLN COc1ccccc1S(=O)(=O)Nc1c(C)cccc1SC ZINC000185340198 333385775 /nfs/dbraw/zinc/38/57/75/333385775.db2.gz HCYVDZKFQVPCDQ-UHFFFAOYSA-N 0 2 323.439 3.526 20 0 DHADLN COC1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CCCCC1 ZINC000185870348 335154568 /nfs/dbraw/zinc/15/45/68/335154568.db2.gz ZNAKLXNFALVOES-UHFFFAOYSA-N 0 2 318.200 3.987 20 0 DHADLN Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1F ZINC000048653098 334290986 /nfs/dbraw/zinc/29/09/86/334290986.db2.gz QRZDXBDHHZSGIH-UHFFFAOYSA-N 0 2 317.744 3.727 20 0 DHADLN Cc1ccccc1S(=O)(=O)Nc1nc(C(C)(C)C)cs1 ZINC000112332778 334382826 /nfs/dbraw/zinc/38/28/26/334382826.db2.gz DJBYALAJTSFXEX-UHFFFAOYSA-N 0 2 310.444 3.550 20 0 DHADLN Cc1ccc(CC(C)(C)NC(=O)c2cc(F)c(O)c(F)c2)cc1 ZINC000416282905 334659443 /nfs/dbraw/zinc/65/94/43/334659443.db2.gz NWBIRUTWZBQBRY-UHFFFAOYSA-N 0 2 319.351 3.730 20 0 DHADLN CN(CCC[N@@H+](C)Cc1ccco1)c1ccc2ccccc2[nH+]1 ZINC000343813122 335194846 /nfs/dbraw/zinc/19/48/46/335194846.db2.gz PUGWHPSENBSFGE-UHFFFAOYSA-N 0 2 309.413 3.786 20 0 DHADLN COc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000344523314 335255093 /nfs/dbraw/zinc/25/50/93/335255093.db2.gz XSQMUOVZLUTKGY-ZDUSSCGKSA-N 0 2 319.836 3.521 20 0 DHADLN CCCCOc1ccccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000344497728 335256937 /nfs/dbraw/zinc/25/69/37/335256937.db2.gz MJGKKPXACPQBNT-KRWDZBQOSA-N 0 2 313.445 3.968 20 0 DHADLN Cc1nc(C(=O)Nc2cc(Cl)cc(Cl)c2O)c(C)o1 ZINC000344724501 335271490 /nfs/dbraw/zinc/27/14/90/335271490.db2.gz ZKBNKCOLHUMQJH-UHFFFAOYSA-N 0 2 301.129 3.556 20 0 DHADLN CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@@H](C)CC[C@@H]3C)sc2C1 ZINC000346233014 335386742 /nfs/dbraw/zinc/38/67/42/335386742.db2.gz ZCOPGGCDMSQAKX-KBPBESRZSA-N 0 2 307.507 3.530 20 0 DHADLN CC(C)[N@@H+]1CCc2nc(C[NH+]3C[C@@H](C)CC[C@H]3C)sc2C1 ZINC000346233030 335386833 /nfs/dbraw/zinc/38/68/33/335386833.db2.gz 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ZINC000377573246 337055474 /nfs/dbraw/zinc/05/54/74/337055474.db2.gz YGEOITPJSLMMJZ-GUDVDZBRSA-N 0 2 318.424 3.738 20 0 DHADLN C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cc(Cl)ccc1Cl ZINC000377799222 337061446 /nfs/dbraw/zinc/06/14/46/337061446.db2.gz RZKCKUYTQZSPSA-MWLCHTKSSA-N 0 2 310.228 3.925 20 0 DHADLN Cc1nc(C)c(S(=O)(=O)Nc2ccc(Cl)cc2C)s1 ZINC000175687840 337147107 /nfs/dbraw/zinc/14/71/07/337147107.db2.gz UCDYKDIFVZGGKH-UHFFFAOYSA-N 0 2 316.835 3.523 20 0 DHADLN C[C@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)[C@@H]1c1ccccc1 ZINC000180089510 337173681 /nfs/dbraw/zinc/17/36/81/337173681.db2.gz GAIBKXVFOGUHHH-BONVTDFDSA-N 0 2 303.308 3.504 20 0 DHADLN O=C(NCc1ccc(C2CC2)cc1)c1cc(F)c(F)c(O)c1F ZINC000191322885 337295954 /nfs/dbraw/zinc/29/59/54/337295954.db2.gz QIHWPFJGZGTDAK-UHFFFAOYSA-N 0 2 321.298 3.617 20 0 DHADLN O=C(c1cc(F)cc(Cl)c1O)N1CC[C@@H](c2ccccc2)C1 ZINC000127592127 337421481 /nfs/dbraw/zinc/42/14/81/337421481.db2.gz ZBPUHBCBAHSJOR-GFCCVEGCSA-N 0 2 319.763 3.814 20 0 DHADLN COc1ccc2nc(-c3nc(=O)c4sccc4[nH]3)ccc2c1 ZINC000077251627 337577693 /nfs/dbraw/zinc/57/76/93/337577693.db2.gz HGNGTUDHSFJUPV-UHFFFAOYSA-N 0 2 309.350 3.621 20 0 DHADLN Cc1cc(F)cc(C)c1S(=O)(=O)Nc1ncccc1C(C)C ZINC000430381618 338106112 /nfs/dbraw/zinc/10/61/12/338106112.db2.gz VEEKSUWMHYFEMW-UHFFFAOYSA-N 0 2 322.405 3.762 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2cc(C3(C)CCCC3)on2)cc1 ZINC000432954660 338174810 /nfs/dbraw/zinc/17/48/10/338174810.db2.gz OMTDHCMZBRPNAW-UHFFFAOYSA-N 0 2 320.414 3.616 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2cc3[nH]ccc3cc2C)s1 ZINC000436170127 338260315 /nfs/dbraw/zinc/26/03/15/338260315.db2.gz ATBJZVCVHCMDKM-UHFFFAOYSA-N 0 2 306.412 3.647 20 0 DHADLN CC(C)(C)c1ccc(NC(=O)c2cc(F)c(O)c(F)c2)c(O)c1 ZINC000436510684 338274689 /nfs/dbraw/zinc/27/46/89/338274689.db2.gz HORXEGVYYZJLSA-UHFFFAOYSA-N 0 2 321.323 3.926 20 0 DHADLN O=C(Nc1nc2ccsc2s1)c1cc(F)c(O)c(F)c1 ZINC000436524871 338275188 /nfs/dbraw/zinc/27/51/88/338275188.db2.gz KWWSULYYJKTFDD-UHFFFAOYSA-N 0 2 312.322 3.594 20 0 DHADLN CCOc1ccc(N(CC)C(=O)c2cc(F)c(O)c(F)c2)cc1 ZINC000436531136 338275469 /nfs/dbraw/zinc/27/54/69/338275469.db2.gz COAYGMDVVGFJHN-UHFFFAOYSA-N 0 2 321.323 3.736 20 0 DHADLN CCC[C@@H](Cc1ccccc1)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000436536755 338275887 /nfs/dbraw/zinc/27/58/87/338275887.db2.gz QDYLMNFLKALWPV-AWEZNQCLSA-N 0 2 319.351 3.812 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000436572534 338277874 /nfs/dbraw/zinc/27/78/74/338277874.db2.gz ZLFHNEXLAXWPIN-AWEZNQCLSA-N 0 2 323.726 3.911 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N(CC1CC1)C1CCCCC1 ZINC000436638687 338280902 /nfs/dbraw/zinc/28/09/02/338280902.db2.gz JWJPPDIOZKYAPZ-UHFFFAOYSA-N 0 2 309.356 3.855 20 0 DHADLN COc1cccc([C@H](C)NC(=O)c2cc(F)cc(Cl)c2O)c1 ZINC000436739844 338284763 /nfs/dbraw/zinc/28/47/63/338284763.db2.gz PABRRGHQLCVVPX-VIFPVBQESA-N 0 2 323.751 3.684 20 0 DHADLN O=C(NCc1ccc(C2CC2)cc1F)c1cc(F)c(O)c(F)c1 ZINC000436806336 338288023 /nfs/dbraw/zinc/28/80/23/338288023.db2.gz HHIUWCALSLCRQU-UHFFFAOYSA-N 0 2 321.298 3.617 20 0 DHADLN O=C(NC/C=C\c1ccccc1)c1cc(F)c(O)c(Cl)c1 ZINC000436884455 338291738 /nfs/dbraw/zinc/29/17/38/338291738.db2.gz CUQGEYXYBKYMJX-DAXSKMNVSA-N 0 2 305.736 3.628 20 0 DHADLN CC1(C)C[C@@H](NC(=O)c2cc(F)c(O)c(F)c2)c2ccccc21 ZINC000436972123 338296229 /nfs/dbraw/zinc/29/62/29/338296229.db2.gz RHZIMPUKWLOSEQ-OAHLLOKOSA-N 0 2 317.335 3.823 20 0 DHADLN Cc1ccccc1NC(=O)c1cc(F)cc(Br)c1O ZINC000436996145 338297123 /nfs/dbraw/zinc/29/71/23/338297123.db2.gz CSYJXMMMZRHVFE-UHFFFAOYSA-N 0 2 324.149 3.855 20 0 DHADLN Cc1ccsc1S(=O)(=O)Nc1ncc(C(C)(C)C)s1 ZINC000437338511 338307355 /nfs/dbraw/zinc/30/73/55/338307355.db2.gz PYGHMSMMWIUTIN-UHFFFAOYSA-N 0 2 316.473 3.611 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1cc(C2CC2)no1 ZINC000442728200 338429261 /nfs/dbraw/zinc/42/92/61/338429261.db2.gz YJEDQUHYXQKOIX-UHFFFAOYSA-N 0 2 313.140 3.817 20 0 DHADLN COc1ccc(NC(=O)c2cc(F)c(O)c(Cl)c2)c(C)c1 ZINC000194556727 338564231 /nfs/dbraw/zinc/56/42/31/338564231.db2.gz KCMNHCOUEATDFT-UHFFFAOYSA-N 0 2 309.724 3.754 20 0 DHADLN COc1cc(F)ccc1NC(=O)c1cc(F)cc(Cl)c1O ZINC000162677155 338653200 /nfs/dbraw/zinc/65/32/00/338653200.db2.gz LSRFPJMPSKSEOD-UHFFFAOYSA-N 0 2 313.687 3.585 20 0 DHADLN Cc1cccc(C)c1CS(=O)(=O)Nc1cc(C(C)(C)C)on1 ZINC000450966148 338714786 /nfs/dbraw/zinc/71/47/86/338714786.db2.gz GLWQZOXUVNPDGD-UHFFFAOYSA-N 0 2 322.430 3.531 20 0 DHADLN CCC(C)(C)c1ccc(S(=O)(=O)Nc2noc(C)c2C)cc1 ZINC000451044523 338719192 /nfs/dbraw/zinc/71/91/92/338719192.db2.gz BRBXIDGBGJCQCP-UHFFFAOYSA-N 0 2 322.430 3.780 20 0 DHADLN CC1(C)Cc2ccsc2CN1C(=O)c1cc(F)c(O)c(F)c1 ZINC000457319581 338959188 /nfs/dbraw/zinc/95/91/88/338959188.db2.gz NLGAQDOGRWIYOH-UHFFFAOYSA-N 0 2 323.364 3.709 20 0 DHADLN CCCC[N@@H+](CCc1c[nH+]cn1C)Cc1ccccc1Cl ZINC000459328747 339022183 /nfs/dbraw/zinc/02/21/83/339022183.db2.gz QMIVXKTVBFNELU-UHFFFAOYSA-N 0 2 305.853 3.918 20 0 DHADLN CO[C@H](C)C[N@H+]1CCCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000459598921 339038016 /nfs/dbraw/zinc/03/80/16/339038016.db2.gz XIVVFOJUIVIFMA-ABAIWWIYSA-N 0 2 307.825 3.778 20 0 DHADLN CC[C@@H](C(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccc(F)cc1 ZINC000461015958 339057532 /nfs/dbraw/zinc/05/75/32/339057532.db2.gz OYIJAGSDLMBUKI-GFCCVEGCSA-N 0 2 321.421 3.529 20 0 DHADLN c1ccc(SCCNc2nc(-c3ccccc3)ns2)cc1 ZINC000461465767 339064177 /nfs/dbraw/zinc/06/41/77/339064177.db2.gz VKHIQHYEEWMSEM-UHFFFAOYSA-N 0 2 313.451 3.831 20 0 DHADLN Cc1nc(=N[C@H](C)c2ccc(OCCC(C)C)cc2)s[nH]1 ZINC000462796171 339089175 /nfs/dbraw/zinc/08/91/75/339089175.db2.gz KDNUTPCEFQGPHJ-GFCCVEGCSA-N 0 2 305.447 3.866 20 0 DHADLN Cc1nsc(NCC(C)(C)c2cccc(C(F)(F)F)c2)n1 ZINC000462799449 339089531 /nfs/dbraw/zinc/08/95/31/339089531.db2.gz ZECHEMBWSZOCQZ-UHFFFAOYSA-N 0 2 315.364 3.677 20 0 DHADLN CC(C)(C)C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463166808 339107754 /nfs/dbraw/zinc/10/77/54/339107754.db2.gz CPKHJRJRCZEMBC-UHFFFAOYSA-N 0 2 313.188 3.763 20 0 DHADLN Cc1ccsc1-c1nc(=NC(=O)[C@@H]2CCC[C@H](C)C2)s[nH]1 ZINC000472287857 339369001 /nfs/dbraw/zinc/36/90/01/339369001.db2.gz PHYCTIURMGVVPK-GXSJLCMTSA-N 0 2 321.471 3.762 20 0 DHADLN Cc1cc2occ(C(=O)Nc3ccc4nn[nH]c4c3)c2cc1C ZINC000472339207 339370072 /nfs/dbraw/zinc/37/00/72/339370072.db2.gz BNRBQIISZXLBID-UHFFFAOYSA-N 0 2 306.325 3.573 20 0 DHADLN CCCC(C)(C)NC(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000473837378 339393050 /nfs/dbraw/zinc/39/30/50/339393050.db2.gz RTEXXPXLJNOGLE-UHFFFAOYSA-N 0 2 324.475 3.697 20 0 DHADLN CC(C)(C)CCCC(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000504319053 340144933 /nfs/dbraw/zinc/14/49/33/340144933.db2.gz UDUSZVPQGCOYDS-UHFFFAOYSA-N 0 2 303.431 3.782 20 0 DHADLN O=C(Nc1ccc2nn[nH]c2c1)C1(c2ccc(F)cc2)CCCC1 ZINC000508001419 340237201 /nfs/dbraw/zinc/23/72/01/340237201.db2.gz QPWBCMULGPOCEE-UHFFFAOYSA-N 0 2 324.359 3.548 20 0 DHADLN CCC(CC)(C(=O)Nc1ccc2nn[nH]c2c1)c1ccccc1 ZINC000508011409 340237321 /nfs/dbraw/zinc/23/73/21/340237321.db2.gz AVZSXPOFJLAZOA-UHFFFAOYSA-N 0 2 308.385 3.654 20 0 DHADLN O=C(Nc1ccc2nn[nH]c2c1)C1(c2ccccc2F)CCCC1 ZINC000508023835 340237572 /nfs/dbraw/zinc/23/75/72/340237572.db2.gz MSRRNACCSHNJPQ-UHFFFAOYSA-N 0 2 324.359 3.548 20 0 DHADLN CCCOc1cccc(NS(=O)(=O)c2ccc(C)s2)c1 ZINC000032599872 340715637 /nfs/dbraw/zinc/71/56/37/340715637.db2.gz HUMYKQSOSOETCW-UHFFFAOYSA-N 0 2 311.428 3.646 20 0 DHADLN CSc1cccc(NS(=O)(=O)c2cc(C)c(C)s2)c1 ZINC000538011608 340807288 /nfs/dbraw/zinc/80/72/88/340807288.db2.gz VXLDESCESMRGDX-UHFFFAOYSA-N 0 2 313.469 3.888 20 0 DHADLN CCCc1csc(NS(=O)(=O)c2ccc(CC)s2)n1 ZINC000127295025 340848704 /nfs/dbraw/zinc/84/87/04/340848704.db2.gz BAWSCRUNOARXEI-UHFFFAOYSA-N 0 2 316.473 3.520 20 0 DHADLN O=C(Nc1c(O)c(Cl)cc(Cl)c1Cl)c1cc[nH]c1 ZINC000127737552 340855670 /nfs/dbraw/zinc/85/56/70/340855670.db2.gz MSEJVTIOSCOBBH-UHFFFAOYSA-N 0 2 305.548 3.933 20 0 DHADLN O=C(CCc1cccnc1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000130145121 341002239 /nfs/dbraw/zinc/00/22/39/341002239.db2.gz UMBAUMTUPHFBMR-UHFFFAOYSA-N 0 2 311.168 3.665 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1n[nH]c2ccccc21 ZINC000130154971 341002967 /nfs/dbraw/zinc/00/29/67/341002967.db2.gz WQZOPJHNEYAVIT-UHFFFAOYSA-N 0 2 322.151 3.828 20 0 DHADLN Cc1cccc2c1CC[C@@H]2NC(=O)c1cc(F)c(F)c(O)c1F ZINC000542593526 341014831 /nfs/dbraw/zinc/01/48/31/341014831.db2.gz NCIOCBBFWVFZIU-ZDUSSCGKSA-N 0 2 321.298 3.535 20 0 DHADLN Cc1cccc2c1CC[C@H]2NC(=O)c1cc(F)c(F)c(O)c1F ZINC000542593525 341014835 /nfs/dbraw/zinc/01/48/35/341014835.db2.gz NCIOCBBFWVFZIU-CYBMUJFWSA-N 0 2 321.298 3.535 20 0 DHADLN O=c1nc(-c2ccsc2)[nH]c2c(-c3ccccc3)nsc21 ZINC000543947960 341064010 /nfs/dbraw/zinc/06/40/10/341064010.db2.gz XZKMILQRHRMSPC-UHFFFAOYSA-N 0 2 311.391 3.775 20 0 DHADLN CCCCCN(C(=O)c1cc(F)c(F)c(O)c1F)C(C)C ZINC000544521949 341084969 /nfs/dbraw/zinc/08/49/69/341084969.db2.gz CIKFOUYNSIUREG-UHFFFAOYSA-N 0 2 303.324 3.850 20 0 DHADLN C[C@@H]1CCN(C(=O)c2cc(F)c(O)c(F)c2)[C@@H]2CCCC[C@H]12 ZINC000545155342 341110461 /nfs/dbraw/zinc/11/04/61/341110461.db2.gz OMQTUQQVLJVECP-IXPVHAAZSA-N 0 2 309.356 3.711 20 0 DHADLN Cc1ccc(CN(C)C(=O)c2cc(F)cc(Cl)c2O)s1 ZINC000132001044 341114774 /nfs/dbraw/zinc/11/47/74/341114774.db2.gz ZYQBDUOTYPPIKI-UHFFFAOYSA-N 0 2 313.781 3.827 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2cccc3cc[nH]c32)c(Cl)c1 ZINC000547822131 341235140 /nfs/dbraw/zinc/23/51/40/341235140.db2.gz CLOZNGUXROAZPB-UHFFFAOYSA-N 0 2 320.801 3.931 20 0 DHADLN CCCc1cccc(C[NH2+]Cc2nc(-c3ccc(F)cc3)n[nH]2)c1 ZINC000548150372 341249616 /nfs/dbraw/zinc/24/96/16/341249616.db2.gz NICIIVNOYJAFMO-UHFFFAOYSA-N 0 2 324.403 3.853 20 0 DHADLN CC[C@@H](c1ccncc1)N(CC)C(=O)c1cc(F)c(O)c(F)c1 ZINC000180052110 523126658 /nfs/dbraw/zinc/12/66/58/523126658.db2.gz QKXLHJKGPDVMRL-HNNXBMFYSA-N 0 2 320.339 3.679 20 0 DHADLN O=C([O-])c1ccc2[nH]c3c(c2c1)C[N@H+](Cc1ccc(F)cc1)CC3 ZINC000113027267 599794954 /nfs/dbraw/zinc/79/49/54/599794954.db2.gz MSIOJRZZHCATQJ-UHFFFAOYSA-N 0 2 324.355 3.564 20 0 DHADLN O=C([O-])c1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1ccc(F)cc1)CC3 ZINC000113027267 599794955 /nfs/dbraw/zinc/79/49/55/599794955.db2.gz MSIOJRZZHCATQJ-UHFFFAOYSA-N 0 2 324.355 3.564 20 0 DHADLN O=C([O-])c1cc(F)ccc1C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000740078489 599795215 /nfs/dbraw/zinc/79/52/15/599795215.db2.gz KMBANJNYUOAMRT-UHFFFAOYSA-N 0 2 324.355 3.564 20 0 DHADLN O=C([O-])c1cc(F)ccc1C[N@H+]1CCc2[nH]c3ccccc3c2C1 ZINC000740078489 599795219 /nfs/dbraw/zinc/79/52/19/599795219.db2.gz KMBANJNYUOAMRT-UHFFFAOYSA-N 0 2 324.355 3.564 20 0 DHADLN CCCCNc1[nH+]c2ccccc2n1Cc1cc(C(=O)[O-])co1 ZINC000736998976 599844126 /nfs/dbraw/zinc/84/41/26/599844126.db2.gz RTBMSJCORQBCMZ-UHFFFAOYSA-N 0 2 313.357 3.588 20 0 DHADLN Cc1oc(C[NH2+][C@@H](c2ccco2)c2ccccc2)cc1C(=O)[O-] ZINC000738981269 600048985 /nfs/dbraw/zinc/04/89/85/600048985.db2.gz WAYDTJWXHCNRLW-QGZVFWFLSA-N 0 2 311.337 3.758 20 0 DHADLN C[C@@H]([NH2+][C@H](C(=O)[O-])c1ccccc1F)c1c(F)cccc1F ZINC000827718753 600741552 /nfs/dbraw/zinc/74/15/52/600741552.db2.gz XLESZHPPKDUQFZ-PSLIRLAXSA-N 0 2 309.287 3.580 20 0 DHADLN NC(=[NH+]OCc1ccc2ccccc2c1)c1cccc(C(=O)[O-])c1 ZINC000833077915 600807698 /nfs/dbraw/zinc/80/76/98/600807698.db2.gz GQANELDSRBCNEH-UHFFFAOYSA-N 0 2 320.348 3.585 20 0 DHADLN Cc1cc(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000832883001 601179424 /nfs/dbraw/zinc/17/94/24/601179424.db2.gz OWVKPXKFARLCPK-CQSZACIVSA-N 0 2 305.761 3.887 20 0 DHADLN Cc1cc(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)oc1C(=O)[O-] ZINC000832883001 601179425 /nfs/dbraw/zinc/17/94/25/601179425.db2.gz OWVKPXKFARLCPK-CQSZACIVSA-N 0 2 305.761 3.887 20 0 DHADLN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000833032660 601625894 /nfs/dbraw/zinc/62/58/94/601625894.db2.gz KSVSOYJCHGYKBR-LBPRGKRZSA-N 0 2 322.455 3.938 20 0 DHADLN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCCC[C@H]1c1nccs1 ZINC000833032660 601625896 /nfs/dbraw/zinc/62/58/96/601625896.db2.gz KSVSOYJCHGYKBR-LBPRGKRZSA-N 0 2 322.455 3.938 20 0 DHADLN O=C([O-])C[N@H+](Cc1csc(C2CCCC2)n1)C1CCCC1 ZINC000584243687 602335362 /nfs/dbraw/zinc/33/53/62/602335362.db2.gz STYXHILNZKHOTD-UHFFFAOYSA-N 0 2 308.447 3.630 20 0 DHADLN O=C([O-])C[N@@H+](Cc1csc(C2CCCC2)n1)C1CCCC1 ZINC000584243687 602335364 /nfs/dbraw/zinc/33/53/64/602335364.db2.gz STYXHILNZKHOTD-UHFFFAOYSA-N 0 2 308.447 3.630 20 0 DHADLN Cc1ccc(-c2nc(C[N@H+](CC(=O)[O-])C3CCCC3)cs2)o1 ZINC000576479511 602338742 /nfs/dbraw/zinc/33/87/42/602338742.db2.gz GNGQYBDNVOLOKV-UHFFFAOYSA-N 0 2 320.414 3.541 20 0 DHADLN Cc1ccc(-c2nc(C[N@@H+](CC(=O)[O-])C3CCCC3)cs2)o1 ZINC000576479511 602338743 /nfs/dbraw/zinc/33/87/43/602338743.db2.gz GNGQYBDNVOLOKV-UHFFFAOYSA-N 0 2 320.414 3.541 20 0 DHADLN CC(C)c1cc(N2CCCC[C@@H]2CC(=O)[O-])nc(C(C)C)[nH+]1 ZINC000833509417 605006247 /nfs/dbraw/zinc/00/62/47/605006247.db2.gz MGUZLZWHCPSJTJ-CYBMUJFWSA-N 0 2 305.422 3.557 20 0 DHADLN CO[C@H](C)c1cccc(NS(=O)(=O)c2cccc(C)c2F)c1 ZINC000180505682 1013096895 /nfs/dbraw/zinc/09/68/95/1013096895.db2.gz MFPHPXMQVYLVLO-GFCCVEGCSA-N 0 2 323.389 3.642 20 0 DHADLN Cc1cccc([C@H]([NH2+]Cc2cnc(-c3ccccc3)o2)C(=O)[O-])c1 ZINC001574394883 961200417 /nfs/dbraw/zinc/20/04/17/961200417.db2.gz HOEQJBRZRAGLJH-KRWDZBQOSA-N 0 2 322.364 3.566 20 0 DHADLN Cc1ccc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(Cl)c1 ZINC000191889285 1013251843 /nfs/dbraw/zinc/25/18/43/1013251843.db2.gz ZSMAABLKRHFHHR-UHFFFAOYSA-N 0 2 306.705 3.515 20 0 DHADLN O=C([O-])c1ccc(CNc2ccc([NH+]3CCCC3)cc2)s1 ZINC000236480988 967777368 /nfs/dbraw/zinc/77/73/68/967777368.db2.gz GHYYZDLDYJKXFN-UHFFFAOYSA-N 0 2 302.399 3.659 20 0 DHADLN Cc1ccc(-c2nc(C[N@H+](CC(=O)[O-])C3CCC3)cs2)cc1 ZINC000655937029 1013835254 /nfs/dbraw/zinc/83/52/54/1013835254.db2.gz MRAZFGFIRBLRIW-UHFFFAOYSA-N 0 2 316.426 3.558 20 0 DHADLN Cc1ccc(-c2nc(C[N@@H+](CC(=O)[O-])C3CCC3)cs2)cc1 ZINC000655937029 1013835263 /nfs/dbraw/zinc/83/52/63/1013835263.db2.gz MRAZFGFIRBLRIW-UHFFFAOYSA-N 0 2 316.426 3.558 20 0 DHADLN CCOC(=O)c1cc2cc(N)ccc2n1-c1cccc(S)c1 ZINC001210947558 1014094646 /nfs/dbraw/zinc/09/46/46/1014094646.db2.gz SGRNWVYZJMHYHM-UHFFFAOYSA-N 0 2 312.394 3.678 20 0 DHADLN CC(C)(CNC(=O)C(F)C(F)(F)F)c1ccccc1Cl ZINC000810341245 1026749177 /nfs/dbraw/zinc/74/91/77/1026749177.db2.gz DSQLUNKZPMIXAS-JTQLQIEISA-N 0 2 311.706 3.634 20 0 DHADLN CC(C)(CNC(=O)[C@H](F)C(F)(F)F)c1ccccc1Cl ZINC000810341245 1026749190 /nfs/dbraw/zinc/74/91/90/1026749190.db2.gz DSQLUNKZPMIXAS-JTQLQIEISA-N 0 2 311.706 3.634 20 0 DHADLN O=C([O-])c1csc(C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)n1 ZINC000568059973 974655819 /nfs/dbraw/zinc/65/58/19/974655819.db2.gz NJZWIOVSIBMAGV-CYBMUJFWSA-N 0 2 322.817 3.832 20 0 DHADLN O=C([O-])c1csc(C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)n1 ZINC000568059973 974655822 /nfs/dbraw/zinc/65/58/22/974655822.db2.gz NJZWIOVSIBMAGV-CYBMUJFWSA-N 0 2 322.817 3.832 20 0 DHADLN Cc1ccccc1-c1cnc(C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-])o1 ZINC000570402815 974710821 /nfs/dbraw/zinc/71/08/21/974710821.db2.gz AMHZDGJRYUWWBY-HNNXBMFYSA-N 0 2 316.401 3.581 20 0 DHADLN Cc1ccccc1-c1cnc(C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])o1 ZINC000570402815 974710826 /nfs/dbraw/zinc/71/08/26/974710826.db2.gz AMHZDGJRYUWWBY-HNNXBMFYSA-N 0 2 316.401 3.581 20 0 DHADLN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1nc2ccccc2[nH]1 ZINC000570646547 974715710 /nfs/dbraw/zinc/71/57/10/974715710.db2.gz GOITWPPDECXYDQ-KRWDZBQOSA-N 0 2 323.396 3.601 20 0 DHADLN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1nc2ccccc2[nH]1 ZINC000570646547 974715715 /nfs/dbraw/zinc/71/57/15/974715715.db2.gz GOITWPPDECXYDQ-KRWDZBQOSA-N 0 2 323.396 3.601 20 0 DHADLN C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000575065732 974794595 /nfs/dbraw/zinc/79/45/95/974794595.db2.gz XBBDXNDPARBZHZ-YGRLFVJLSA-N 0 2 320.389 3.564 20 0 DHADLN C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2nc(C(=O)[O-])cs2)C1 ZINC000575065732 974794601 /nfs/dbraw/zinc/79/46/01/974794601.db2.gz XBBDXNDPARBZHZ-YGRLFVJLSA-N 0 2 320.389 3.564 20 0 DHADLN Cc1cc([C@H](C)[N@@H+]2CCc3[nH]c4ccccc4c3C2)oc1C(=O)[O-] ZINC000582306644 974923949 /nfs/dbraw/zinc/92/39/49/974923949.db2.gz XPJUQLWTFKNSEU-LBPRGKRZSA-N 0 2 324.380 3.887 20 0 DHADLN Cc1cc([C@H](C)[N@H+]2CCc3[nH]c4ccccc4c3C2)oc1C(=O)[O-] ZINC000582306644 974923954 /nfs/dbraw/zinc/92/39/54/974923954.db2.gz XPJUQLWTFKNSEU-LBPRGKRZSA-N 0 2 324.380 3.887 20 0 DHADLN Cc1cc([C@@H](C)[N@@H+]2CCc3[nH]c4ccccc4c3C2)oc1C(=O)[O-] ZINC000582306643 974924395 /nfs/dbraw/zinc/92/43/95/974924395.db2.gz XPJUQLWTFKNSEU-GFCCVEGCSA-N 0 2 324.380 3.887 20 0 DHADLN Cc1cc([C@@H](C)[N@H+]2CCc3[nH]c4ccccc4c3C2)oc1C(=O)[O-] ZINC000582306643 974924400 /nfs/dbraw/zinc/92/44/00/974924400.db2.gz XPJUQLWTFKNSEU-GFCCVEGCSA-N 0 2 324.380 3.887 20 0 DHADLN CC(C)c1[nH]c(C[NH2+][C@@H](CF)c2ccc(F)cc2)cc1C(=O)[O-] ZINC001591916078 976362533 /nfs/dbraw/zinc/36/25/33/976362533.db2.gz HKAGRSUSIRWMEN-HNNXBMFYSA-N 0 2 322.355 3.776 20 0 DHADLN CC(C)c1[nH]c(C[NH2+][C@H](CF)c2ccc(F)cc2)cc1C(=O)[O-] ZINC001591916079 976362699 /nfs/dbraw/zinc/36/26/99/976362699.db2.gz HKAGRSUSIRWMEN-OAHLLOKOSA-N 0 2 322.355 3.776 20 0 DHADLN COc1ccccc1S(=O)(=O)Nc1cccc2ccsc21 ZINC000443467403 1014954580 /nfs/dbraw/zinc/95/45/80/1014954580.db2.gz LIWMDMBIIAYNQC-UHFFFAOYSA-N 0 2 319.407 3.711 20 0 DHADLN CC(C)CCOc1cccc(NS(=O)(=O)c2ccoc2)c1 ZINC000350017529 1015024063 /nfs/dbraw/zinc/02/40/63/1015024063.db2.gz QEGGBEONYXODIG-UHFFFAOYSA-N 0 2 309.387 3.505 20 0 DHADLN C/C(=C\C[N@H+](Cc1c(Cl)cccc1Cl)C1CC1)C(=O)[O-] ZINC001588958605 984713779 /nfs/dbraw/zinc/71/37/79/984713779.db2.gz NMDYFXASYBPBPW-JXMROGBWSA-N 0 2 314.212 3.989 20 0 DHADLN C/C(=C\C[N@@H+](Cc1c(Cl)cccc1Cl)C1CC1)C(=O)[O-] ZINC001588958605 984713785 /nfs/dbraw/zinc/71/37/85/984713785.db2.gz NMDYFXASYBPBPW-JXMROGBWSA-N 0 2 314.212 3.989 20 0 DHADLN O=C(Nc1cncc(Cl)c1Cl)c1cccc(Cl)c1O ZINC001266771966 1015066094 /nfs/dbraw/zinc/06/60/94/1015066094.db2.gz XXVFOWXRWMWJPJ-UHFFFAOYSA-N 0 2 317.559 4.000 20 0 DHADLN C[C@H]([NH2+][C@@H](C(=O)[O-])c1ccsc1)c1cc2ccccc2o1 ZINC001599900996 984824267 /nfs/dbraw/zinc/82/42/67/984824267.db2.gz GECUVRIWPOGBNB-ZUZCIYMTSA-N 0 2 301.367 3.971 20 0 DHADLN C[C@@H](c1ccccc1F)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000053124878 1015343410 /nfs/dbraw/zinc/34/34/10/1015343410.db2.gz LCMVSRLXMFNIOK-JTQLQIEISA-N 0 2 317.389 3.729 20 0 DHADLN CS[C@H]1CC[N@@H+]([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001599790037 987991755 /nfs/dbraw/zinc/99/17/55/987991755.db2.gz BHMPNWUTALEDTB-NWDGAFQWSA-N 0 2 320.241 3.556 20 0 DHADLN CS[C@H]1CC[N@H+]([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001599790037 987991760 /nfs/dbraw/zinc/99/17/60/987991760.db2.gz BHMPNWUTALEDTB-NWDGAFQWSA-N 0 2 320.241 3.556 20 0 DHADLN CCc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2Cl)s1 ZINC001597530281 988182700 /nfs/dbraw/zinc/18/27/00/988182700.db2.gz UPQXBYHQJWGMOJ-CQSZACIVSA-N 0 2 309.818 3.879 20 0 DHADLN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])no1)c1cc(Cl)ccc1Cl ZINC001599841604 988846088 /nfs/dbraw/zinc/84/60/88/988846088.db2.gz VOMQAYLGPGYHLD-SSDOTTSWSA-N 0 2 315.156 3.530 20 0 DHADLN CCC(CC)[C@H](C)C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000535655668 1015664017 /nfs/dbraw/zinc/66/40/17/1015664017.db2.gz UTCWUBCRASZYKQ-VIFPVBQESA-N 0 2 309.460 3.699 20 0 DHADLN C[N@H+](Cc1ncc(C(C)(C)C)s1)Cc1ccc(C(=O)[O-])cc1 ZINC001598513994 992598709 /nfs/dbraw/zinc/59/87/09/992598709.db2.gz OWWGXBJRXWYPHN-UHFFFAOYSA-N 0 2 318.442 3.771 20 0 DHADLN C[N@@H+](Cc1ncc(C(C)(C)C)s1)Cc1ccc(C(=O)[O-])cc1 ZINC001598513994 992598718 /nfs/dbraw/zinc/59/87/18/992598718.db2.gz OWWGXBJRXWYPHN-UHFFFAOYSA-N 0 2 318.442 3.771 20 0 DHADLN Cc1ccc(C)c(S(O)=CC(=O)N[C@H](C)CCCC(C)C)c1 ZINC000341804933 1015742570 /nfs/dbraw/zinc/74/25/70/1015742570.db2.gz OLFIXJXVKQQEFW-OPAMFIHVSA-N 0 2 323.502 3.742 20 0 DHADLN CC(C)(C)C[C@@H]1CCCN1C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000522624035 1015785006 /nfs/dbraw/zinc/78/50/06/1015785006.db2.gz WCIPGVFDUOBCSW-NSHDSACASA-N 0 2 324.494 3.690 20 0 DHADLN C[C@@H]([NH2+][C@H](C)c1nc(C(=O)[O-])co1)c1csc2ccccc21 ZINC001593203663 994187978 /nfs/dbraw/zinc/18/79/78/994187978.db2.gz GAGHJBPSCWZBBJ-NXEZZACHSA-N 0 2 316.382 3.999 20 0 DHADLN C[C@H]([NH2+]Cc1occc1C(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC001593320672 994858730 /nfs/dbraw/zinc/85/87/30/994858730.db2.gz ZCZIZQVPGIEGPD-VIFPVBQESA-N 0 2 308.403 3.583 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2ccc3ccccc3n2)c(C)s1 ZINC000342093403 1015962548 /nfs/dbraw/zinc/96/25/48/1015962548.db2.gz VYSVMDOEKNMCIV-UHFFFAOYSA-N 0 2 318.423 3.714 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CC[C@@H](CSc2ccccc2)C1 ZINC000277303916 1016176285 /nfs/dbraw/zinc/17/62/85/1016176285.db2.gz BBNBRUVGGOVFKY-ZYHUDNBSSA-N 0 2 321.339 3.528 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CC[C@@H](CSc2ccccc2)C1 ZINC000277303916 1016176289 /nfs/dbraw/zinc/17/62/89/1016176289.db2.gz BBNBRUVGGOVFKY-ZYHUDNBSSA-N 0 2 321.339 3.528 20 0 DHADLN Cc1cc(Nc2cc(Cl)c3[nH+]ccn3c2)cc(C(=O)[O-])c1 ZINC001211539035 1016332701 /nfs/dbraw/zinc/33/27/01/1016332701.db2.gz CBMGDSATPFKFIA-UHFFFAOYSA-N 0 2 301.733 3.738 20 0 DHADLN CCCS(=O)(=O)Nc1nc(-c2cccc(Cl)c2)cs1 ZINC000346401662 1016389800 /nfs/dbraw/zinc/38/98/00/1016389800.db2.gz CMKTWJLIZJZXIG-UHFFFAOYSA-N 0 2 316.835 3.615 20 0 DHADLN O=C(N[C@H](C(F)F)C1CCCCC1)c1cc(F)c(O)c(F)c1 ZINC000623045963 1016852206 /nfs/dbraw/zinc/85/22/06/1016852206.db2.gz FQNZJLSRLCPHJM-LBPRGKRZSA-N 0 2 319.298 3.614 20 0 DHADLN O=C(N[C@@H](C(F)F)C1CCCCC1)c1cc(F)c(O)c(F)c1 ZINC000623045962 1016850795 /nfs/dbraw/zinc/85/07/95/1016850795.db2.gz FQNZJLSRLCPHJM-GFCCVEGCSA-N 0 2 319.298 3.614 20 0 DHADLN Cc1cccc(-c2cnc(NS(=O)(=O)c3ccoc3)s2)c1 ZINC000342650024 1016924741 /nfs/dbraw/zinc/92/47/41/1016924741.db2.gz GOTHMGPLAXZECA-UHFFFAOYSA-N 0 2 320.395 3.512 20 0 DHADLN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(F)C(F)(F)F)o1 ZINC000277718794 1016979833 /nfs/dbraw/zinc/97/98/33/1016979833.db2.gz PINHUKCPFXQPNL-PTOFAABTSA-N 0 2 307.287 3.788 20 0 DHADLN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)[C@@H](F)C(F)(F)F)o1 ZINC000277718794 1016979841 /nfs/dbraw/zinc/97/98/41/1016979841.db2.gz PINHUKCPFXQPNL-PTOFAABTSA-N 0 2 307.287 3.788 20 0 DHADLN [NH2+]=C(Nc1ccc2oc(=S)[n-]c2c1)c1cccnc1Cl ZINC001171352918 1032510614 /nfs/dbraw/zinc/51/06/14/1032510614.db2.gz KVEAFZWLXFYFHX-UHFFFAOYSA-N 0 2 304.762 3.602 20 0 DHADLN CCCN(C(=O)c1cc(Br)c(F)cc1O)C(C)C ZINC000515499686 1012641814 /nfs/dbraw/zinc/64/18/14/1012641814.db2.gz 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MASPYZVYKXJOBJ-UHFFFAOYSA-N 0 2 314.392 3.710 20 0 DHADLN CC(=O)[C@H]1CCCCN1Cc1cc(Cl)c(O)c(Cl)c1 ZINC001140833592 1021104241 /nfs/dbraw/zinc/10/42/41/1021104241.db2.gz YGAWFFNPZQBTEE-CYBMUJFWSA-N 0 2 302.201 3.643 20 0 DHADLN C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)C(F)C(F)(F)F ZINC000843628154 1021107167 /nfs/dbraw/zinc/10/71/67/1021107167.db2.gz OLGQPYMRBMMYQI-OCCSQVGLSA-N 0 2 321.289 3.650 20 0 DHADLN C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC000843628154 1021107170 /nfs/dbraw/zinc/10/71/70/1021107170.db2.gz OLGQPYMRBMMYQI-OCCSQVGLSA-N 0 2 321.289 3.650 20 0 DHADLN C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000538018725 1032976314 /nfs/dbraw/zinc/97/63/14/1032976314.db2.gz UMXZJABUIFHFDW-KZULUSFZSA-N 0 2 322.387 3.634 20 0 DHADLN CCCCc1[nH]c(C[NH+]2CCC3(CCOC3(C)C)CC2)c[nH+]1 ZINC001141074014 1022220798 /nfs/dbraw/zinc/22/07/98/1022220798.db2.gz STROWQCEIYMNNW-UHFFFAOYSA-N 0 2 305.466 3.533 20 0 DHADLN CSCC1(Cc2noc(-c3cccc(Cl)c3O)n2)CC1 ZINC000854094405 1022403333 /nfs/dbraw/zinc/40/33/33/1022403333.db2.gz PCKVQGBBMHAZOP-UHFFFAOYSA-N 0 2 310.806 3.781 20 0 DHADLN O=C(NOCC(F)(F)F)C1(c2ccc(Cl)cc2)CCCC1 ZINC000766768562 1022479583 /nfs/dbraw/zinc/47/95/83/1022479583.db2.gz NCJJYVSZFPIQLC-UHFFFAOYSA-N 0 2 321.726 3.762 20 0 DHADLN CC(C)c1ccc2c(c1)CN(C(=O)C(F)C(F)(F)F)CC2 ZINC000855381514 1022623620 /nfs/dbraw/zinc/62/36/20/1022623620.db2.gz ANQXNEDJOUUPEC-ZDUSSCGKSA-N 0 2 303.299 3.595 20 0 DHADLN CC(C)c1ccc2c(c1)CN(C(=O)[C@H](F)C(F)(F)F)CC2 ZINC000855381514 1022623625 /nfs/dbraw/zinc/62/36/25/1022623625.db2.gz ANQXNEDJOUUPEC-ZDUSSCGKSA-N 0 2 303.299 3.595 20 0 DHADLN O=C(NOCC1CCC1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000856347003 1022799019 /nfs/dbraw/zinc/79/90/19/1022799019.db2.gz CEQTWXMJDRWZTK-UHFFFAOYSA-N 0 2 313.319 3.585 20 0 DHADLN O=C(CSC(F)(F)F)Nc1cc(Cl)cc(Cl)c1O ZINC000770449698 1023313294 /nfs/dbraw/zinc/31/32/94/1023313294.db2.gz CALIZCOPUYFYPY-UHFFFAOYSA-N 0 2 320.119 3.891 20 0 DHADLN CCc1cccc(NS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000048653267 1023803066 /nfs/dbraw/zinc/80/30/66/1023803066.db2.gz AQRNZYVFSFPODD-UHFFFAOYSA-N 0 2 313.781 3.842 20 0 DHADLN O=C(N[C@H](c1ccccc1)C1CCCC1)C(F)C(F)(F)F ZINC000788302214 1023868708 /nfs/dbraw/zinc/86/87/08/1023868708.db2.gz LQBFFCDTKWETIY-OLZOCXBDSA-N 0 2 303.299 3.935 20 0 DHADLN O=C(N[C@H](c1ccccc1)C1CCCC1)[C@H](F)C(F)(F)F ZINC000788302214 1023868710 /nfs/dbraw/zinc/86/87/10/1023868710.db2.gz LQBFFCDTKWETIY-OLZOCXBDSA-N 0 2 303.299 3.935 20 0 DHADLN FC(F)SCc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)o1 ZINC000268844440 1024177751 /nfs/dbraw/zinc/17/77/51/1024177751.db2.gz OEWDCPVVCMAWRD-LBPRGKRZSA-N 0 2 313.373 3.626 20 0 DHADLN O=S(=O)(Nc1cccc(-c2cccs2)c1)c1ccoc1 ZINC000349941528 1024769456 /nfs/dbraw/zinc/76/94/56/1024769456.db2.gz ABHWSCNHZXARCG-UHFFFAOYSA-N 0 2 305.380 3.809 20 0 DHADLN C[C@H]1C[C@H](c2ccccc2)N(C(=O)c2cc(F)c(O)c(F)c2)C1 ZINC000436704701 1025200496 /nfs/dbraw/zinc/20/04/96/1025200496.db2.gz MLNRTKLXWPCICT-MEDUHNTESA-N 0 2 317.335 3.894 20 0 DHADLN CSCCONC(=O)C1(c2cccc(C)c2)CCCCC1 ZINC000794190362 1025235105 /nfs/dbraw/zinc/23/51/05/1025235105.db2.gz AOYPTAUKNKSONI-UHFFFAOYSA-N 0 2 307.459 3.608 20 0 DHADLN CC1(C)c2ccccc2CCN1C(=O)c1cccc(Cl)c1O ZINC001275298406 1025341088 /nfs/dbraw/zinc/34/10/88/1025341088.db2.gz PWLNXTURGWCVRN-UHFFFAOYSA-N 0 2 315.800 3.979 20 0 DHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)c1ccnc(C2CC2)n1 ZINC000354432415 1025429909 /nfs/dbraw/zinc/42/99/09/1025429909.db2.gz YCPHFVRLMVBJJG-UHFFFAOYSA-N 0 2 324.167 3.619 20 0 DHADLN Cc1c(Cl)c(C[N@@H+]2CCCC[C@H]2C(=O)[O-])nc2ccccc12 ZINC000261666789 1025618306 /nfs/dbraw/zinc/61/83/06/1025618306.db2.gz LCBRGDNTHWXZTG-HNNXBMFYSA-N 0 2 318.804 3.636 20 0 DHADLN Cc1c(Cl)c(C[N@H+]2CCCC[C@H]2C(=O)[O-])nc2ccccc12 ZINC000261666789 1025618312 /nfs/dbraw/zinc/61/83/12/1025618312.db2.gz LCBRGDNTHWXZTG-HNNXBMFYSA-N 0 2 318.804 3.636 20 0 DHADLN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(F)cc(Cl)c1O ZINC000152091406 1025747477 /nfs/dbraw/zinc/74/74/77/1025747477.db2.gz WQEFTHGQXUECMV-BFVZDQMLSA-N 0 2 311.784 3.978 20 0 DHADLN O=C([O-])c1ccc[nH+]c1NCCCSc1ccc(F)cc1 ZINC000614259458 1026002638 /nfs/dbraw/zinc/00/26/38/1026002638.db2.gz UCFLQNAXFWEQDF-UHFFFAOYSA-N 0 2 306.362 3.513 20 0 DHADLN FC(F)(F)c1nsc(NC[C@H](c2ccccc2)C2CC2)n1 ZINC000431510672 1026099099 /nfs/dbraw/zinc/09/90/99/1026099099.db2.gz HNICHTGYYWNTNO-LLVKDONJSA-N 0 2 313.348 3.585 20 0 DHADLN Cc1ccsc1S(=O)(=O)Nc1ccc(-c2cnco2)cc1 ZINC000356754526 1026157665 /nfs/dbraw/zinc/15/76/65/1026157665.db2.gz XYPXYPFEQZQBSC-UHFFFAOYSA-N 0 2 320.395 3.512 20 0 DHADLN CN(Cc1ccc(Cl)cc1Cl)C(=O)C(F)C(F)(F)F ZINC000809944894 1026643204 /nfs/dbraw/zinc/64/32/04/1026643204.db2.gz YYYQUUIYKWYJAU-SECBINFHSA-N 0 2 318.097 3.852 20 0 DHADLN CN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H](F)C(F)(F)F ZINC000809944894 1026643214 /nfs/dbraw/zinc/64/32/14/1026643214.db2.gz YYYQUUIYKWYJAU-SECBINFHSA-N 0 2 318.097 3.852 20 0 DHADLN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C(F)C(F)(F)F)cc1 ZINC000810555173 1026780362 /nfs/dbraw/zinc/78/03/62/1026780362.db2.gz WADXWKWLHQAQJK-BFHYXJOUSA-N 0 2 317.326 3.990 20 0 DHADLN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@@H](F)C(F)(F)F)cc1 ZINC000810555173 1026780373 /nfs/dbraw/zinc/78/03/73/1026780373.db2.gz WADXWKWLHQAQJK-BFHYXJOUSA-N 0 2 317.326 3.990 20 0 DHADLN COCCCC[C@H](NC(=O)C(F)C(F)(F)F)c1ccccc1 ZINC000811478835 1027016144 /nfs/dbraw/zinc/01/61/44/1027016144.db2.gz WULBBCFWLVYLQP-STQMWFEESA-N 0 2 321.314 3.561 20 0 DHADLN COCCCC[C@H](NC(=O)[C@H](F)C(F)(F)F)c1ccccc1 ZINC000811478835 1027016159 /nfs/dbraw/zinc/01/61/59/1027016159.db2.gz WULBBCFWLVYLQP-STQMWFEESA-N 0 2 321.314 3.561 20 0 DHADLN O=S(=O)(Nc1cc(C2CC2)ccn1)c1cccc(C(F)F)c1 ZINC000811837772 1027097042 /nfs/dbraw/zinc/09/70/42/1027097042.db2.gz CWVUEKXMFJTWID-UHFFFAOYSA-N 0 2 324.352 3.697 20 0 DHADLN O=C(NOC/C=C/Cl)C1(c2c(Cl)cccc2Cl)CC1 ZINC000812400513 1027261230 /nfs/dbraw/zinc/26/12/30/1027261230.db2.gz NQRRZRXNWMEYRE-FARCUNLSSA-N 0 2 320.603 3.825 20 0 DHADLN C[C@@H](CC(=O)Nc1ccc2nn[nH]c2c1)c1c[nH]c2ccccc21 ZINC000362786235 1027384561 /nfs/dbraw/zinc/38/45/61/1027384561.db2.gz SLCNDLGRGQEDCB-NSHDSACASA-N 0 2 319.368 3.572 20 0 DHADLN Cc1oc(C(=O)[O-])cc1C[N@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000577499055 1027792245 /nfs/dbraw/zinc/79/22/45/1027792245.db2.gz JLSLWQKQXWUDFE-UHFFFAOYSA-N 0 2 321.323 3.729 20 0 DHADLN Cc1oc(C(=O)[O-])cc1C[N@@H+](Cc1ccc(F)cc1F)C1CC1 ZINC000577499055 1027792267 /nfs/dbraw/zinc/79/22/67/1027792267.db2.gz JLSLWQKQXWUDFE-UHFFFAOYSA-N 0 2 321.323 3.729 20 0 DHADLN CSC1CCN(c2[nH+]c3ccccc3c(C)c2C(=O)[O-])CC1 ZINC000600942998 1027914960 /nfs/dbraw/zinc/91/49/60/1027914960.db2.gz NWPLFQURJCOVSZ-UHFFFAOYSA-N 0 2 316.426 3.573 20 0 DHADLN CC(C)CN(CCc1ccc(F)cc1)C(=O)[C@@H](F)C(F)(F)F ZINC000814958481 1028310025 /nfs/dbraw/zinc/31/00/25/1028310025.db2.gz WQPFYDHOGQMOMC-CYBMUJFWSA-N 0 2 323.305 3.753 20 0 DHADLN CC(C)CN(CCc1ccc(F)cc1)C(=O)C(F)C(F)(F)F ZINC000814958481 1028310012 /nfs/dbraw/zinc/31/00/12/1028310012.db2.gz WQPFYDHOGQMOMC-CYBMUJFWSA-N 0 2 323.305 3.753 20 0 DHADLN CC1(C)CN(C(=O)C(F)C(F)(F)F)C[C@H]1c1ccccc1 ZINC000368150509 1028315328 /nfs/dbraw/zinc/31/53/28/1028315328.db2.gz FVRZMFIWIDGLOA-RYUDHWBXSA-N 0 2 303.299 3.539 20 0 DHADLN CC1(C)CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]1c1ccccc1 ZINC000368150509 1028315344 /nfs/dbraw/zinc/31/53/44/1028315344.db2.gz FVRZMFIWIDGLOA-RYUDHWBXSA-N 0 2 303.299 3.539 20 0 DHADLN O=C(C(F)C(F)(F)F)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000815134353 1028391629 /nfs/dbraw/zinc/39/16/29/1028391629.db2.gz UUSOXGURNZCYLJ-CHWSQXEVSA-N 0 2 301.283 3.565 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000815134353 1028391643 /nfs/dbraw/zinc/39/16/43/1028391643.db2.gz UUSOXGURNZCYLJ-CHWSQXEVSA-N 0 2 301.283 3.565 20 0 DHADLN CC(C)(Cc1ccccc1Cl)NC(=O)C(F)C(F)(F)F ZINC000815379686 1028484952 /nfs/dbraw/zinc/48/49/52/1028484952.db2.gz QXTDMXYTLPLAOZ-JTQLQIEISA-N 0 2 311.706 3.678 20 0 DHADLN CC(C)(Cc1ccccc1Cl)NC(=O)[C@H](F)C(F)(F)F ZINC000815379686 1028484959 /nfs/dbraw/zinc/48/49/59/1028484959.db2.gz QXTDMXYTLPLAOZ-JTQLQIEISA-N 0 2 311.706 3.678 20 0 DHADLN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)C(F)C(F)(F)F ZINC000815914859 1028660936 /nfs/dbraw/zinc/66/09/36/1028660936.db2.gz UFTSNVIVTSSTJA-RGNHYFCHSA-N 0 2 307.262 3.560 20 0 DHADLN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)[C@@H](F)C(F)(F)F ZINC000815914859 1028660948 /nfs/dbraw/zinc/66/09/48/1028660948.db2.gz UFTSNVIVTSSTJA-RGNHYFCHSA-N 0 2 307.262 3.560 20 0 DHADLN Cc1sc(NS(=O)(=O)CCc2ccccc2)nc1C(C)C ZINC000567061697 1028828331 /nfs/dbraw/zinc/82/83/31/1028828331.db2.gz BVJVXTDBFFSPPP-UHFFFAOYSA-N 0 2 324.471 3.559 20 0 DHADLN Cc1ccc(-c2csc(C[N@@H+]3CCCC[C@@H]3C(=O)[O-])n2)cc1 ZINC000568055114 1029000165 /nfs/dbraw/zinc/00/01/65/1029000165.db2.gz KIXMKDPACSHSBG-OAHLLOKOSA-N 0 2 316.426 3.558 20 0 DHADLN Cc1ccc(-c2csc(C[N@H+]3CCCC[C@@H]3C(=O)[O-])n2)cc1 ZINC000568055114 1029000179 /nfs/dbraw/zinc/00/01/79/1029000179.db2.gz KIXMKDPACSHSBG-OAHLLOKOSA-N 0 2 316.426 3.558 20 0 DHADLN O=C(c1cccc(Cl)c1O)N1CC(F)(c2ccccc2F)C1 ZINC000816942273 1029043124 /nfs/dbraw/zinc/04/31/24/1029043124.db2.gz JGEUUMPRFQXHLB-UHFFFAOYSA-N 0 2 323.726 3.506 20 0 DHADLN CC[C@H](C)CONC(=O)C1(c2cccc(OC)c2)CCCC1 ZINC000816980835 1029047803 /nfs/dbraw/zinc/04/78/03/1029047803.db2.gz UTTOCZACDULFOU-AWEZNQCLSA-N 0 2 305.418 3.601 20 0 DHADLN CCC(CC)(C(=O)NOCCC(F)(F)F)c1ccccc1 ZINC000779336160 1029139036 /nfs/dbraw/zinc/13/90/36/1029139036.db2.gz XGKFFLZGOZMRMZ-UHFFFAOYSA-N 0 2 303.324 3.745 20 0 DHADLN CC[C@@H](CCc1ccccc1)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000529798214 1029578710 /nfs/dbraw/zinc/57/87/10/1029578710.db2.gz AEXOERPROROGAK-AWEZNQCLSA-N 0 2 319.351 3.812 20 0 DHADLN CCc1nc(NS(=O)(=O)c2sccc2Cl)sc1C ZINC000450966287 1029752193 /nfs/dbraw/zinc/75/21/93/1029752193.db2.gz IESBYDOFSYTQCK-UHFFFAOYSA-N 0 2 322.864 3.530 20 0 DHADLN Cc1cn[nH]c1C[N@@H+](Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000290343433 1030005914 /nfs/dbraw/zinc/00/59/14/1030005914.db2.gz DWOCIOQZEWMPQF-UHFFFAOYSA-N 0 2 318.424 3.945 20 0 DHADLN CCn1cc(N(CC(C)C)C(=O)c2cccc(Cl)c2O)cn1 ZINC000823429965 1030285484 /nfs/dbraw/zinc/28/54/84/1030285484.db2.gz GUYFWFNJVGITGP-UHFFFAOYSA-N 0 2 321.808 3.565 20 0 DHADLN CCc1cccc2c1N(Cc1nc(=O)c3sccc3[nH]1)CC2 ZINC000533523214 1030414961 /nfs/dbraw/zinc/41/49/61/1030414961.db2.gz YHHBONJRUWDJJG-UHFFFAOYSA-N 0 2 311.410 3.522 20 0 DHADLN CCc1ccc(C(=O)N=[S@@](C)(=O)C2CCCCC2)c(O)c1 ZINC000926022488 1030581377 /nfs/dbraw/zinc/58/13/77/1030581377.db2.gz PEPSTIYQHKZZHV-NRFANRHFSA-N 0 2 309.431 3.525 20 0 DHADLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1cc2ccccc2o1 ZINC000076687022 1030812024 /nfs/dbraw/zinc/81/20/24/1030812024.db2.gz UOMLWTXSSNMFTG-UHFFFAOYSA-N 0 2 322.299 3.609 20 0 DHADLN C[C@@H]1C[C@@H](C(=O)[O-])CN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000263289834 1031185313 /nfs/dbraw/zinc/18/53/13/1031185313.db2.gz YOXACDKSLYEPPN-NXEZZACHSA-N 0 2 322.767 3.574 20 0 DHADLN O=C(NC1(c2ccccc2Cl)CCC1)C(F)C(F)(F)F ZINC000844648453 1031281712 /nfs/dbraw/zinc/28/17/12/1031281712.db2.gz SCKIGYVYPHFODO-JTQLQIEISA-N 0 2 309.690 3.736 20 0 DHADLN O=C(NC1(c2ccccc2Cl)CCC1)[C@H](F)C(F)(F)F ZINC000844648453 1031281717 /nfs/dbraw/zinc/28/17/17/1031281717.db2.gz SCKIGYVYPHFODO-JTQLQIEISA-N 0 2 309.690 3.736 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCCC[C@H]1Cc1ccccc1F ZINC000844881174 1031380248 /nfs/dbraw/zinc/38/02/48/1031380248.db2.gz NUGCKDPEHHOSFV-WCQYABFASA-N 0 2 321.289 3.650 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCCC[C@H]1Cc1ccccc1F ZINC000844881174 1031380263 /nfs/dbraw/zinc/38/02/63/1031380263.db2.gz NUGCKDPEHHOSFV-WCQYABFASA-N 0 2 321.289 3.650 20 0 DHADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)c1ccoc1 ZINC000361356662 1031886071 /nfs/dbraw/zinc/88/60/71/1031886071.db2.gz SPFDAKHHHZZQSX-UHFFFAOYSA-N 0 2 323.139 3.624 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000294224331 1031887156 /nfs/dbraw/zinc/88/71/56/1031887156.db2.gz QCROSMTYKBIBSF-NEPJUHHUSA-N 0 2 301.283 3.641 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000294224331 1031887166 /nfs/dbraw/zinc/88/71/66/1031887166.db2.gz QCROSMTYKBIBSF-NEPJUHHUSA-N 0 2 301.283 3.641 20 0 DHADLN O=C(NOC/C=C\Cl)C1(c2ccccc2Cl)CCC1 ZINC000846193751 1031924202 /nfs/dbraw/zinc/92/42/02/1031924202.db2.gz NYHJIUNNUVXKEQ-WTKPLQERSA-N 0 2 300.185 3.562 20 0 DHADLN Cc1ccc(-c2noc(-c3ncc(C(F)(F)F)[nH]3)n2)cc1F ZINC001212688506 1033445480 /nfs/dbraw/zinc/44/54/80/1033445480.db2.gz FWWOOYKJPMDQII-UHFFFAOYSA-N 0 2 312.226 3.593 20 0 DHADLN Cc1cc(F)ccc1-c1noc(-c2ncc(C(F)(F)F)[nH]2)n1 ZINC001212690109 1033462432 /nfs/dbraw/zinc/46/24/32/1033462432.db2.gz YKOVAZLFJQWVTI-UHFFFAOYSA-N 0 2 312.226 3.593 20 0 DHADLN CCCONC(=O)C(C)(C)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000862104043 1033761972 /nfs/dbraw/zinc/76/19/72/1033761972.db2.gz SQKDHYAZLUKCHB-LBPRGKRZSA-N 0 2 320.216 3.511 20 0 DHADLN O=C([O-])/C=C/c1cccc(Nc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC001174496521 1034412792 /nfs/dbraw/zinc/41/27/92/1034412792.db2.gz OPJOJYBDYARIKM-RMKNXTFCSA-N 0 2 319.364 3.773 20 0 DHADLN Fc1cccc([C@@H]2CC[C@@H](Nc3nc(C4CC4)ns3)C2)c1 ZINC000480784778 1034445213 /nfs/dbraw/zinc/44/52/13/1034445213.db2.gz IATNOIPCEOPLMV-TZMCWYRMSA-N 0 2 303.406 3.725 20 0 DHADLN O=C([O-])c1cc(Nc2cc[nH+]c3ccc(Cl)cc23)ccc1F ZINC001175215168 1034871283 /nfs/dbraw/zinc/87/12/83/1034871283.db2.gz JVNBIRWAEOCRBE-UHFFFAOYSA-N 0 2 316.719 3.891 20 0 DHADLN O=C(NOCc1ccccc1)C1(c2ccccc2F)CCCC1 ZINC000899868413 1034931955 /nfs/dbraw/zinc/93/19/55/1034931955.db2.gz TZNRUQPSCJFPIV-UHFFFAOYSA-N 0 2 313.372 3.886 20 0 DHADLN CC(C)c1cnc(C[NH2+][C@H](CC(=O)[O-])c2ccccc2F)s1 ZINC000904046030 1035352232 /nfs/dbraw/zinc/35/22/32/1035352232.db2.gz UPHBRISIXKHDAT-CYBMUJFWSA-N 0 2 322.405 3.711 20 0 DHADLN Cc1cccc([C@H]([NH2+]Cc2cnc(C3CCC3)s2)C(=O)[O-])c1 ZINC000904265497 1035390204 /nfs/dbraw/zinc/39/02/04/1035390204.db2.gz ZWYZFQHEDJDUHW-HNNXBMFYSA-N 0 2 316.426 3.635 20 0 DHADLN COc1cccc([C@@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000535574008 1035707681 /nfs/dbraw/zinc/70/76/81/1035707681.db2.gz RRRVDWPSLYUACU-OAHLLOKOSA-N 0 2 311.429 3.728 20 0 DHADLN Fc1cc(-c2ccncc2)ccc1C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000540620950 1036117896 /nfs/dbraw/zinc/11/78/96/1036117896.db2.gz VFLTWAMTIKJBGW-GOSISDBHSA-N 0 2 322.387 3.778 20 0 DHADLN CC[C@H](C)OC(=O)Nc1ccc(F)c(Br)c1O ZINC001195123684 1036145188 /nfs/dbraw/zinc/14/51/88/1036145188.db2.gz FFAKHTSUPSCULN-LURJTMIESA-N 0 2 306.131 3.641 20 0 DHADLN CCCS(=O)(=O)Nc1nc(-c2ccccc2)c(CC)s1 ZINC000540697366 1036137845 /nfs/dbraw/zinc/13/78/45/1036137845.db2.gz XMEBAYRFWCKHME-UHFFFAOYSA-N 0 2 310.444 3.524 20 0 DHADLN O=C(NCCCOC1CCCCC1)c1cccc(Cl)c1O ZINC000775647629 1036211226 /nfs/dbraw/zinc/21/12/26/1036211226.db2.gz ZUAPIYKOXMEXNP-UHFFFAOYSA-N 0 2 311.809 3.515 20 0 DHADLN O=C1CC(c2ccc(Cl)cc2)=NN1c1ccc(Cl)cn1 ZINC000629942908 1036257979 /nfs/dbraw/zinc/25/79/79/1036257979.db2.gz WSVXJRLBXAMIEL-UHFFFAOYSA-N 0 2 306.152 3.529 20 0 DHADLN c1ccc(-c2nnc(C[NH2+][C@@H]3CCCNc4ccccc43)[nH]2)cc1 ZINC000774316643 1036287286 /nfs/dbraw/zinc/28/72/86/1036287286.db2.gz UYJSATYPGQWISD-QGZVFWFLSA-N 0 2 319.412 3.508 20 0 DHADLN O=C(c1cccc(Cl)c1O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000775677849 1036409958 /nfs/dbraw/zinc/40/99/58/1036409958.db2.gz UCKLZLQFDMYBDB-MPEURRAXSA-N 0 2 305.805 3.696 20 0 DHADLN O=C(CC1CCCCC1)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC001182745692 1036445168 /nfs/dbraw/zinc/44/51/68/1036445168.db2.gz DPZNNGUKKFEMEE-UHFFFAOYSA-N 0 2 320.343 3.659 20 0 DHADLN CCc1ccc(NC(=O)c2cc(Cl)c(F)cc2O)c(O)c1 ZINC001196465989 1036536143 /nfs/dbraw/zinc/53/61/43/1036536143.db2.gz DSVKANVJFQVJSL-UHFFFAOYSA-N 0 2 309.724 3.705 20 0 DHADLN CCOc1ccc(OC)cc1NC(=O)c1cccc(Cl)c1O ZINC000775716999 1036536458 /nfs/dbraw/zinc/53/64/58/1036536458.db2.gz LAZRVJHKKPERIT-UHFFFAOYSA-N 0 2 321.760 3.705 20 0 DHADLN O=C(Nc1cc(O)cc(Cl)c1)c1cc(Cl)c(F)cc1O ZINC001196468369 1036539097 /nfs/dbraw/zinc/53/90/97/1036539097.db2.gz YPZBOJWTSZDYJO-UHFFFAOYSA-N 0 2 316.115 3.796 20 0 DHADLN Cc1cnc(Cl)c(NC(=O)c2cc(Cl)c(F)cc2O)c1 ZINC001196452260 1036548364 /nfs/dbraw/zinc/54/83/64/1036548364.db2.gz CVZDCGWWDXULKN-UHFFFAOYSA-N 0 2 315.131 3.794 20 0 DHADLN CC[C@@](C)(NC(=O)c1cccc(Cl)c1O)c1nccs1 ZINC000775752788 1036660291 /nfs/dbraw/zinc/66/02/91/1036660291.db2.gz GARTZKXPLKVFNE-CQSZACIVSA-N 0 2 310.806 3.557 20 0 DHADLN O=C(Nc1cc(F)c(F)c(F)c1)c1cccc(Cl)c1O ZINC000775755155 1036663798 /nfs/dbraw/zinc/66/37/98/1036663798.db2.gz GMWNCNALAJPQKK-UHFFFAOYSA-N 0 2 301.651 3.715 20 0 DHADLN C[C@H]1CN(C(=O)c2cccc(Cl)c2O)c2ccc(F)cc2O1 ZINC000775756537 1036667235 /nfs/dbraw/zinc/66/72/35/1036667235.db2.gz LQRZFHAOLCORPH-VIFPVBQESA-N 0 2 321.735 3.612 20 0 DHADLN CC[C@@](C)(NC(=O)c1cccc(Cl)c1O)c1nc(C)cs1 ZINC000775756709 1036684926 /nfs/dbraw/zinc/68/49/26/1036684926.db2.gz QDUOXCLMYUNTCR-OAHLLOKOSA-N 0 2 324.833 3.866 20 0 DHADLN CCc1ccc(N(CC)C(=O)c2cc(F)c(O)c(F)c2)cc1 ZINC000762575589 1036840087 /nfs/dbraw/zinc/84/00/87/1036840087.db2.gz XGZOVBGXYJZWOE-UHFFFAOYSA-N 0 2 305.324 3.900 20 0 DHADLN CCC(=O)c1cccc(NC(=O)c2cccc(Cl)c2O)c1 ZINC000775782723 1036851570 /nfs/dbraw/zinc/85/15/70/1036851570.db2.gz LLJRXSQAUSNSAC-UHFFFAOYSA-N 0 2 303.745 3.891 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N(CCc1ccccc1)C1CC1 ZINC000762584495 1036853281 /nfs/dbraw/zinc/85/32/81/1036853281.db2.gz MJMCBKQJIFJQQJ-UHFFFAOYSA-N 0 2 317.335 3.518 20 0 DHADLN Cc1ncsc1-c1ccc(C[N@@H+]2CCCc3[nH]ncc3C2)cc1 ZINC000668841061 1036959964 /nfs/dbraw/zinc/95/99/64/1036959964.db2.gz HVKRSPOMZKNDSQ-UHFFFAOYSA-N 0 2 324.453 3.790 20 0 DHADLN CC(C)(C)c1cccc(NS(=O)(=O)c2cccnc2Cl)c1 ZINC001184867300 1036964170 /nfs/dbraw/zinc/96/41/70/1036964170.db2.gz PDKXTZOUALEDLC-UHFFFAOYSA-N 0 2 324.833 3.833 20 0 DHADLN CCc1ccccc1S(=O)(=O)Nc1nc2ccsc2s1 ZINC000488573307 1037076568 /nfs/dbraw/zinc/07/65/68/1037076568.db2.gz BTQHEDBKLRIIIF-UHFFFAOYSA-N 0 2 324.452 3.721 20 0 DHADLN Oc1c(Cl)cccc1-c1nc(Cc2c(F)cccc2F)no1 ZINC000761561872 1037368231 /nfs/dbraw/zinc/36/82/31/1037368231.db2.gz XLVHHIIHZDSJRP-UHFFFAOYSA-N 0 2 322.698 3.965 20 0 DHADLN CC(C)(C)c1nc(=N[C@H]2CCCOc3ccc(F)cc32)s[nH]1 ZINC000489370446 1037384360 /nfs/dbraw/zinc/38/43/60/1037384360.db2.gz SWNHDQHTMRMECI-LBPRGKRZSA-N 0 2 321.421 3.722 20 0 DHADLN Cc1cc(F)ncc1NS(=O)(=O)c1csc2ccccc21 ZINC001186452772 1037399997 /nfs/dbraw/zinc/39/99/97/1037399997.db2.gz ZTUCDRWCFLEHLB-UHFFFAOYSA-N 0 2 322.386 3.545 20 0 DHADLN CCc1ccccc1NC(=S)Nc1ccnc(Cl)c1O ZINC001201140223 1037539199 /nfs/dbraw/zinc/53/91/99/1037539199.db2.gz LYKOBKWNWGACSJ-UHFFFAOYSA-N 0 2 307.806 3.812 20 0 DHADLN C[C@H]([NH2+]Cc1[nH]nc2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC001201851360 1037906684 /nfs/dbraw/zinc/90/66/84/1037906684.db2.gz VNDJQKFGIJDSEK-AWEZNQCLSA-N 0 2 317.396 3.599 20 0 DHADLN Cc1cc(Cl)ncc1NS(=O)(=O)c1ccc(Cl)s1 ZINC000153024173 1038051807 /nfs/dbraw/zinc/05/18/07/1038051807.db2.gz PFZSYFKQKIVFKZ-UHFFFAOYSA-N 0 2 323.226 3.559 20 0 DHADLN COc1cc(C2(C(=O)NOC3CCCC3)CCCC2)ccc1C ZINC000775274080 1038173984 /nfs/dbraw/zinc/17/39/84/1038173984.db2.gz YKUJYZCIIMNMOS-UHFFFAOYSA-N 0 2 317.429 3.806 20 0 DHADLN Cc1c(Cl)ccc(S(=O)(=O)Nc2nccs2)c1Cl ZINC001191721415 1038531644 /nfs/dbraw/zinc/53/16/44/1038531644.db2.gz BCKFYTQEZCZDKM-UHFFFAOYSA-N 0 2 323.226 3.559 20 0 DHADLN CC(C)(C)c1nc(=NC(=O)c2csc3ccccc23)s[nH]1 ZINC000589936752 1038554378 /nfs/dbraw/zinc/55/43/78/1038554378.db2.gz JOEOJHWJMRVTCX-UHFFFAOYSA-N 0 2 317.439 3.725 20 0 DHADLN C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)cn1 ZINC000775494304 1038573609 /nfs/dbraw/zinc/57/36/09/1038573609.db2.gz ZJFGSPXSMBTOKF-IUODEOHRSA-N 0 2 306.841 3.697 20 0 DHADLN C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)c1ccc(Cl)cn1 ZINC000775494303 1038573889 /nfs/dbraw/zinc/57/38/89/1038573889.db2.gz ZJFGSPXSMBTOKF-DOMZBBRYSA-N 0 2 306.841 3.697 20 0 DHADLN O=C(c1c(F)ccc(F)c1O)N1CCC[C@H]1C1CCCCC1 ZINC001192702451 1038693026 /nfs/dbraw/zinc/69/30/26/1038693026.db2.gz GKPLNLXUXVXSHC-AWEZNQCLSA-N 0 2 309.356 3.855 20 0 DHADLN Cc1ccccc1CC(C)(C)NC(=O)c1c(F)ccc(F)c1O ZINC001192718212 1038697526 /nfs/dbraw/zinc/69/75/26/1038697526.db2.gz SEHHXFNKXGUXAK-UHFFFAOYSA-N 0 2 319.351 3.730 20 0 DHADLN C[C@@H]1C[C@@H](NC(=O)c2ccc(F)c(F)c2O)c2ccccc21 ZINC001192812050 1038703163 /nfs/dbraw/zinc/70/31/63/1038703163.db2.gz ZXFCYIXHAPYXNB-YMTOWFKASA-N 0 2 303.308 3.649 20 0 DHADLN Cc1ccccc1CC(C)(C)NC(=O)c1ccc(F)c(F)c1O ZINC001192819431 1038704147 /nfs/dbraw/zinc/70/41/47/1038704147.db2.gz XEXBPMOQEXPZHF-UHFFFAOYSA-N 0 2 319.351 3.730 20 0 DHADLN CC1(C)CN(C(=O)c2ccc(O)c(F)c2F)Cc2ccccc21 ZINC001192833467 1038706299 /nfs/dbraw/zinc/70/62/99/1038706299.db2.gz SPYBEJKXGPRPAT-UHFFFAOYSA-N 0 2 317.335 3.604 20 0 DHADLN Cc1cc(C)cc([C@@H](C)NC(=O)c2ccc(O)c(F)c2F)c1 ZINC001192842822 1038706972 /nfs/dbraw/zinc/70/69/72/1038706972.db2.gz MJAFJOVXNLVNFY-LLVKDONJSA-N 0 2 305.324 3.778 20 0 DHADLN Cc1ccccc1CC(C)(C)NC(=O)c1ccc(O)c(F)c1F ZINC001192848716 1038708773 /nfs/dbraw/zinc/70/87/73/1038708773.db2.gz HSQXCWYZZWOKOJ-UHFFFAOYSA-N 0 2 319.351 3.730 20 0 DHADLN CC(C)Cc1cccc(NS(=O)(=O)c2cnccc2Cl)c1 ZINC001192900366 1038711806 /nfs/dbraw/zinc/71/18/06/1038711806.db2.gz IIHQKQKHQODJOT-UHFFFAOYSA-N 0 2 324.833 3.734 20 0 DHADLN CSc1ccc(C)c(C(=O)N=c2nc(C(C)(C)C)[nH]s2)c1 ZINC000591200000 1038768338 /nfs/dbraw/zinc/76/83/38/1038768338.db2.gz IOSLTFMCHLKOKH-UHFFFAOYSA-N 0 2 321.471 3.540 20 0 DHADLN O=C([O-])C[C@@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000573816834 1039077778 /nfs/dbraw/zinc/07/77/78/1039077778.db2.gz NVKNBSAWFJCHFR-NSHDSACASA-N 0 2 304.777 3.579 20 0 DHADLN Cc1cc(C)cc([C@@H](C)NC(=O)c2c(O)cc(F)cc2F)c1 ZINC000593424773 1039541868 /nfs/dbraw/zinc/54/18/68/1039541868.db2.gz STZMIFZQOKOIAO-LLVKDONJSA-N 0 2 305.324 3.778 20 0 DHADLN N#CC(C(=O)Cc1ccccc1F)c1nc2ccccc2s1 ZINC000046441828 1039637123 /nfs/dbraw/zinc/63/71/23/1039637123.db2.gz IRAXENKMAPXLPU-LBPRGKRZSA-N 0 2 310.353 3.854 20 0 DHADLN N#C[C@@H](C(=O)Cc1ccccc1F)c1nc2ccccc2s1 ZINC000046441828 1039637144 /nfs/dbraw/zinc/63/71/44/1039637144.db2.gz IRAXENKMAPXLPU-LBPRGKRZSA-N 0 2 310.353 3.854 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2nc3ccsc3s2)cc1C ZINC000605257744 1039643722 /nfs/dbraw/zinc/64/37/22/1039643722.db2.gz LILBUIVAWMMVDF-UHFFFAOYSA-N 0 2 324.452 3.775 20 0 DHADLN CCSc1cccc(NS(=O)(=O)c2sccc2C)c1 ZINC000607615778 1040207786 /nfs/dbraw/zinc/20/77/86/1040207786.db2.gz XZHNBGKPCVTQMW-UHFFFAOYSA-N 0 2 313.469 3.969 20 0 DHADLN Cc1ccc([C@@H]([NH2+]Cc2ncc(C(C)(C)C)s2)C(=O)[O-])cc1 ZINC000417528877 334955219 /nfs/dbraw/zinc/95/52/19/334955219.db2.gz FZFFTOXNGFVMQC-OAHLLOKOSA-N 0 2 318.442 3.665 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H](O)C1CCCCC1 ZINC000188673103 200285119 /nfs/dbraw/zinc/28/51/19/200285119.db2.gz HSSUZXJWOMVEBZ-LBPRGKRZSA-N 0 2 318.200 3.579 20 0 DHADLN CC(C)(C)c1ccc(O)c(NC(=O)c2c(O)cc(F)cc2F)c1 ZINC000066042760 184385592 /nfs/dbraw/zinc/38/55/92/184385592.db2.gz KXDBGNXOUFBODP-UHFFFAOYSA-N 0 2 321.323 3.926 20 0 DHADLN CC(C)c1scnc1NS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000288377449 131322985 /nfs/dbraw/zinc/32/29/85/131322985.db2.gz ZCTHMXKOMYXRQO-UHFFFAOYSA-N 0 2 322.455 3.556 20 0 DHADLN Cc1[nH]c2c(cc(C)cc2CNC(=O)[C@H](F)C(F)(F)F)c1C ZINC000289562655 131395992 /nfs/dbraw/zinc/39/59/92/131395992.db2.gz CVRSWLWOFYNLSG-ZDUSSCGKSA-N 0 2 316.298 3.610 20 0 DHADLN Cc1[nH]c2c(cc(C)cc2CNC(=O)C(F)C(F)(F)F)c1C ZINC000289562655 131395993 /nfs/dbraw/zinc/39/59/93/131395993.db2.gz CVRSWLWOFYNLSG-ZDUSSCGKSA-N 0 2 316.298 3.610 20 0 DHADLN Cc1ccc(C[NH2+][C@@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)nc1 ZINC000340690313 132157887 /nfs/dbraw/zinc/15/78/87/132157887.db2.gz KXIORPVRPRZYPZ-PXNSSMCTSA-N 0 2 324.424 3.603 20 0 DHADLN CCc1ccsc1C(=O)Nc1ccc(NC(=O)OC)c(F)c1 ZINC000180607362 331574442 /nfs/dbraw/zinc/57/44/42/331574442.db2.gz BDYDTANVGZZRIX-UHFFFAOYSA-N 0 2 322.361 3.880 20 0 DHADLN Cc1cccc(CS(=O)(=O)Nc2nc(C(C)C)cs2)c1 ZINC000186572381 332934518 /nfs/dbraw/zinc/93/45/18/332934518.db2.gz CKNAVUFSCFJPLL-UHFFFAOYSA-N 0 2 310.444 3.517 20 0 DHADLN C[C@H]1CC[C@@H](C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)O1 ZINC000127724824 332007873 /nfs/dbraw/zinc/00/78/73/332007873.db2.gz MEYAAYMBFBLGSI-XNCJUZBTSA-N 0 2 324.591 3.858 20 0 DHADLN O=C(Cc1cccc(O)c1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000130109837 332022823 /nfs/dbraw/zinc/02/28/23/332022823.db2.gz YGQWOBMUHKONOO-UHFFFAOYSA-N 0 2 312.152 3.586 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1COc2ccccc21 ZINC000130125153 332022987 /nfs/dbraw/zinc/02/29/87/332022987.db2.gz FGADPARMBRYRSB-SNVBAGLBSA-N 0 2 324.163 3.814 20 0 DHADLN Cc1cc(C)cc(CS(=O)(=O)Nc2ncc(C(C)C)s2)c1 ZINC000410332421 332112270 /nfs/dbraw/zinc/11/22/70/332112270.db2.gz KNRQDQJEKXLSBN-UHFFFAOYSA-N 0 2 324.471 3.825 20 0 DHADLN CCc1nsc(N[C@H]2C[C@H]2c2ccccc2C(F)(F)F)n1 ZINC000426905936 332161353 /nfs/dbraw/zinc/16/13/53/332161353.db2.gz XSJLZURIUAJCFJ-ONGXEEELSA-N 0 2 313.348 3.509 20 0 DHADLN Cc1oc(C(=O)[O-])cc1C[N@@H+](C)Cc1c(F)cccc1Cl ZINC000566359470 332377163 /nfs/dbraw/zinc/37/71/63/332377163.db2.gz WLYLRLCVTBKVJD-UHFFFAOYSA-N 0 2 311.740 3.711 20 0 DHADLN Cc1oc(C(=O)[O-])cc1C[N@H+](C)Cc1c(F)cccc1Cl ZINC000566359470 332377164 /nfs/dbraw/zinc/37/71/64/332377164.db2.gz WLYLRLCVTBKVJD-UHFFFAOYSA-N 0 2 311.740 3.711 20 0 DHADLN CC(C)c1nsc(N[C@H]2C[C@H](c3cc(F)cc(F)c3)C2)n1 ZINC000562635082 332611672 /nfs/dbraw/zinc/61/16/72/332611672.db2.gz FULLYLMZRCHUHQ-MJHDQNEOSA-N 0 2 309.385 3.720 20 0 DHADLN Cc1cscc1NS(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000161587347 332756931 /nfs/dbraw/zinc/75/69/31/332756931.db2.gz OPMNTOZAJNHSLO-UHFFFAOYSA-N 0 2 319.810 3.958 20 0 DHADLN O=S(=O)(Nc1ccc2[nH]ccc2c1)c1cc(Cl)ccc1F ZINC000570453927 332758072 /nfs/dbraw/zinc/75/80/72/332758072.db2.gz FKRFHLRNVOENRN-UHFFFAOYSA-N 0 2 324.764 3.761 20 0 DHADLN COc1ccc(NC(=O)c2cc(F)c(O)c(F)c2)cc1Cl ZINC000176945987 332965159 /nfs/dbraw/zinc/96/51/59/332965159.db2.gz YOBZGFHWWZTHRG-UHFFFAOYSA-N 0 2 313.687 3.585 20 0 DHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCc2ccc(F)cc21 ZINC000177127574 332973349 /nfs/dbraw/zinc/97/33/49/332973349.db2.gz XFRPAHNEEGRFQR-UHFFFAOYSA-N 0 2 309.699 3.527 20 0 DHADLN Cc1cccc([C@@H]2CCCN2C(=O)c2cc(F)c(O)c(F)c2)c1 ZINC000183456211 333058145 /nfs/dbraw/zinc/05/81/45/333058145.db2.gz YEOHHPGBGMNOAH-INIZCTEOSA-N 0 2 317.335 3.956 20 0 DHADLN O=C(c1cc(F)c(O)c(Cl)c1)N1CCC2(C1)CCCCC2 ZINC000184446859 333359004 /nfs/dbraw/zinc/35/90/04/333359004.db2.gz HNHFFBQLXHEGON-UHFFFAOYSA-N 0 2 311.784 3.981 20 0 DHADLN Cc1csc2[nH]c(C(F)(F)c3ccc(F)cc3)nc(=O)c12 ZINC000521419739 333377570 /nfs/dbraw/zinc/37/75/70/333377570.db2.gz XPYYZIXCCKMPQL-UHFFFAOYSA-N 0 2 310.300 3.985 20 0 DHADLN CC(C)Cc1nsc(N[C@@H]2CCO[C@@H](c3cccs3)C2)n1 ZINC000413353687 333844406 /nfs/dbraw/zinc/84/44/06/333844406.db2.gz PNBCGWDPCFBQRW-VXGBXAGGSA-N 0 2 323.487 3.552 20 0 DHADLN O=C(c1cc(F)cc(Cl)c1O)N1CC[C@@H]1c1ccccc1 ZINC000436775708 333998769 /nfs/dbraw/zinc/99/87/69/333998769.db2.gz XPZYDVJLOYKRKO-CQSZACIVSA-N 0 2 305.736 3.772 20 0 DHADLN CC[N@H+](Cc1nc2c(s1)C[NH+](C(C)C)CC2)C1CC(C)(C)C1 ZINC000414531179 334008616 /nfs/dbraw/zinc/00/86/16/334008616.db2.gz FVGZSGIQNDACNV-UHFFFAOYSA-N 0 2 321.534 3.920 20 0 DHADLN C[C@@H]1SCCN(C(=O)[C@@H](F)C(F)(F)F)[C@H]1c1ccccc1 ZINC000294867356 334213704 /nfs/dbraw/zinc/21/37/04/334213704.db2.gz CLGCQVVSXVXQOW-MVWJERBFSA-N 0 2 321.339 3.592 20 0 DHADLN C[C@@H]1SCCN(C(=O)C(F)C(F)(F)F)[C@H]1c1ccccc1 ZINC000294867356 334213706 /nfs/dbraw/zinc/21/37/06/334213706.db2.gz CLGCQVVSXVXQOW-MVWJERBFSA-N 0 2 321.339 3.592 20 0 DHADLN O=S(=O)(Nc1ccc(Cl)cc1)c1c(F)cc(F)cc1F ZINC000048835375 334301754 /nfs/dbraw/zinc/30/17/54/334301754.db2.gz HRINSFWMMYXFQX-UHFFFAOYSA-N 0 2 321.707 3.558 20 0 DHADLN Cc1ccc(S(O)=CC(=O)N[C@H](C)CCCC(C)C)c(C)c1 ZINC000341833861 334483660 /nfs/dbraw/zinc/48/36/60/334483660.db2.gz LSSWTXHLANVSJM-ZHRRBRCNSA-N 0 2 323.502 3.742 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2c(C)cccc2O)sc1Cl ZINC000188449931 334739362 /nfs/dbraw/zinc/73/93/62/334739362.db2.gz UHNNLVCPAALUKU-UHFFFAOYSA-N 0 2 317.819 3.525 20 0 DHADLN C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000344334626 335241934 /nfs/dbraw/zinc/24/19/34/335241934.db2.gz SOTZSBHQXNGNPT-CSMYWGQOSA-N 0 2 320.864 3.626 20 0 DHADLN Clc1ccccc1C[N@@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000346276789 335391599 /nfs/dbraw/zinc/39/15/99/335391599.db2.gz MRAPVVXXQCDXQJ-UHFFFAOYSA-N 0 2 303.837 3.981 20 0 DHADLN O=C(Nc1ccc(F)c(C2CC2)c1)N1CCC(C2CCOC2)C1 ZINC000366939934 335397684 /nfs/dbraw/zinc/39/76/84/335397684.db2.gz BQBPNRPXHBQGCG-KBPBESRZSA-N 0 2 318.392 3.593 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1c[nH]c2cccnc12 ZINC000346846262 335445925 /nfs/dbraw/zinc/44/59/25/335445925.db2.gz NRUWFFHJGGTALW-UHFFFAOYSA-N 0 2 322.151 3.828 20 0 DHADLN CC(C)c1nc2ccc(NS(=O)(=O)c3ccoc3)cc2s1 ZINC000349993621 335716634 /nfs/dbraw/zinc/71/66/34/335716634.db2.gz WZYKITASQNWRCX-UHFFFAOYSA-N 0 2 322.411 3.814 20 0 DHADLN C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000395649862 336221103 /nfs/dbraw/zinc/22/11/03/336221103.db2.gz JTXKAFLVYOZVHG-CQSZACIVSA-N 0 2 304.384 3.747 20 0 DHADLN CCc1ccc(C[NH2+]C[C@H](CC)[N@H+]2CCc3ccccc3C2)cn1 ZINC000352834529 336271480 /nfs/dbraw/zinc/27/14/80/336271480.db2.gz XKQRUAXKKVXCPZ-NRFANRHFSA-N 0 2 323.484 3.571 20 0 DHADLN Cc1cc(NC[C@H](c2cccc(F)c2)[NH+](C)C)nc(C(C)C)[nH+]1 ZINC000301062658 336287943 /nfs/dbraw/zinc/28/79/43/336287943.db2.gz NBNNIACUIISDNL-MRXNPFEDSA-N 0 2 316.424 3.762 20 0 DHADLN Cc1ccc([C@H](CNc2nc(C)[nH+]c(C)c2C)[NH+]2CCCC2)o1 ZINC000301676906 336322832 /nfs/dbraw/zinc/32/28/32/336322832.db2.gz HWHYNXRFOVQGDH-INIZCTEOSA-N 0 2 314.433 3.552 20 0 DHADLN Cc1ccc(S(O)=CC(=O)NCCCC2CCCCC2)cc1 ZINC000355929069 336528529 /nfs/dbraw/zinc/52/85/29/336528529.db2.gz MDFDDAQDAFDYJX-JOCHJYFZSA-N 0 2 321.486 3.579 20 0 DHADLN CO[C@H](C)c1cccc(NS(=O)(=O)c2sccc2C)c1 ZINC000356721038 336559181 /nfs/dbraw/zinc/55/91/81/336559181.db2.gz JFUQYJICUVGRGQ-LLVKDONJSA-N 0 2 311.428 3.565 20 0 DHADLN Cc1ccc([C@H]2CCCN2C(=O)[C@@H](F)C(F)(F)F)cc1C ZINC000377751531 337060130 /nfs/dbraw/zinc/06/01/30/337060130.db2.gz ZFTUSAYVQAXBGC-CHWSQXEVSA-N 0 2 303.299 3.867 20 0 DHADLN Cc1ccc([C@H]2CCCN2C(=O)C(F)C(F)(F)F)cc1C ZINC000377751531 337060131 /nfs/dbraw/zinc/06/01/31/337060131.db2.gz ZFTUSAYVQAXBGC-CHWSQXEVSA-N 0 2 303.299 3.867 20 0 DHADLN Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)no1 ZINC000377807925 337061694 /nfs/dbraw/zinc/06/16/94/337061694.db2.gz VENYYRAAIXQFHN-ZQIUZPCESA-N 0 2 319.474 3.778 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000377911884 337063771 /nfs/dbraw/zinc/06/37/71/337063771.db2.gz WOGQKPXRFYSBLK-GHMZBOCLSA-N 0 2 311.225 3.529 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@@H]1c1ccc(F)c(F)c1 ZINC000377911884 337063772 /nfs/dbraw/zinc/06/37/72/337063772.db2.gz WOGQKPXRFYSBLK-GHMZBOCLSA-N 0 2 311.225 3.529 20 0 DHADLN Cc1csc(S(=O)(=O)Nc2nc(C(C)C)c(C)s2)c1 ZINC000582497850 337101972 /nfs/dbraw/zinc/10/19/72/337101972.db2.gz DXJPUARUCRWTMO-UHFFFAOYSA-N 0 2 316.473 3.746 20 0 DHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ncc(C(C)C)s2)c1 ZINC000174012129 337140612 /nfs/dbraw/zinc/14/06/12/337140612.db2.gz XVJQMMNBYUNKFW-UHFFFAOYSA-N 0 2 314.407 3.515 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2nc(C(C)C)cs2)c(C)s1 ZINC000175972545 337150003 /nfs/dbraw/zinc/15/00/03/337150003.db2.gz QITSJEWNKUIOOW-UHFFFAOYSA-N 0 2 316.473 3.746 20 0 DHADLN Cc1ncsc1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000220307803 337160490 /nfs/dbraw/zinc/16/04/90/337160490.db2.gz MNEGGGLJLALQKV-UHFFFAOYSA-N 0 2 303.170 3.716 20 0 DHADLN C[C@@H](C(=O)[O-])[N@H+](Cc1csc(C2CCCC2)n1)C1CCC1 ZINC000583764336 337331641 /nfs/dbraw/zinc/33/16/41/337331641.db2.gz FUQYYQDPCZWTIT-NSHDSACASA-N 0 2 308.447 3.628 20 0 DHADLN C[C@@H](C(=O)[O-])[N@@H+](Cc1csc(C2CCCC2)n1)C1CCC1 ZINC000583764336 337331642 /nfs/dbraw/zinc/33/16/42/337331642.db2.gz FUQYYQDPCZWTIT-NSHDSACASA-N 0 2 308.447 3.628 20 0 DHADLN Oc1ccc(-c2noc(-c3ccc(O)c(Cl)c3)n2)c(F)c1 ZINC000445455339 338017315 /nfs/dbraw/zinc/01/73/15/338017315.db2.gz OUUWWMQHXDVXPB-UHFFFAOYSA-N 0 2 306.680 3.607 20 0 DHADLN CC(C)C1(C)CCN(C(=O)N=c2nc(C(C)(C)C)[nH]s2)CC1 ZINC000429455169 338081594 /nfs/dbraw/zinc/08/15/94/338081594.db2.gz PFPIXXICPQPGDH-UHFFFAOYSA-N 0 2 324.494 3.548 20 0 DHADLN CCOc1ccccc1NS(=O)(=O)c1sc(C)cc1C ZINC000431162711 338124558 /nfs/dbraw/zinc/12/45/58/338124558.db2.gz UVVKZBXFHJQAHI-UHFFFAOYSA-N 0 2 311.428 3.564 20 0 DHADLN O=C([O-])c1ccc2nc(/C=C\c3cccc4[nH+]ccn43)sc2c1 ZINC000431556875 338133790 /nfs/dbraw/zinc/13/37/90/338133790.db2.gz DCKYIAZDUIIBRA-ALCCZGGFSA-N 0 2 321.361 3.813 20 0 DHADLN Cc1cc(F)cc(NS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000432206705 338147970 /nfs/dbraw/zinc/14/79/70/338147970.db2.gz SEBUJAKCWWUGBP-UHFFFAOYSA-N 0 2 305.783 3.650 20 0 DHADLN CCc1cnccc1C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000159276879 338522493 /nfs/dbraw/zinc/52/24/93/338522493.db2.gz YXOUIYHKPXYIDS-UHFFFAOYSA-N 0 2 311.168 3.909 20 0 DHADLN Cc1ccccc1S(=O)(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000432960849 338174818 /nfs/dbraw/zinc/17/48/18/338174818.db2.gz PTCMKPRIXGJGME-UHFFFAOYSA-N 0 2 320.414 3.616 20 0 DHADLN CCCc1ccccc1NS(=O)(=O)c1sc(C)nc1C ZINC000433515211 338196176 /nfs/dbraw/zinc/19/61/76/338196176.db2.gz BAZGLTHJULAMSV-UHFFFAOYSA-N 0 2 310.444 3.513 20 0 DHADLN Cc1nc(=N[C@H](C)c2ccc(-c3csc(C)n3)cc2)s[nH]1 ZINC000433799296 338202295 /nfs/dbraw/zinc/20/22/95/338202295.db2.gz QEFXHKHJQAEJKX-SECBINFHSA-N 0 2 316.455 3.873 20 0 DHADLN C[C@@H]1CCC[C@H](CNC(=O)c2cc(F)c(F)c(O)c2F)[C@@H]1C ZINC000435929652 338253060 /nfs/dbraw/zinc/25/30/60/338253060.db2.gz KKJCLIHQXFMRPP-OPRDCNLKSA-N 0 2 315.335 3.612 20 0 DHADLN CC(C)(C)c1cnc(NC(=O)c2cc(F)c(O)c(F)c2)s1 ZINC000436523477 338275260 /nfs/dbraw/zinc/27/52/60/338275260.db2.gz SXZNTHPPOSIRFV-UHFFFAOYSA-N 0 2 312.341 3.677 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCc2cc(Cl)ccc21 ZINC000436555303 338276922 /nfs/dbraw/zinc/27/69/22/338276922.db2.gz LTGPDCKMUYWNJR-UHFFFAOYSA-N 0 2 309.699 3.527 20 0 DHADLN CCc1cnc(NC(=O)c2c(O)cc(Cl)cc2Cl)s1 ZINC000436576953 338278023 /nfs/dbraw/zinc/27/80/23/338278023.db2.gz SFFNJOFHMDZTIZ-UHFFFAOYSA-N 0 2 317.197 3.970 20 0 DHADLN CC(C)C(CNC(=O)c1cc(F)c(O)c(Cl)c1)C(C)C ZINC000436595228 338279038 /nfs/dbraw/zinc/27/90/38/338279038.db2.gz LLPZOZFSZODIKK-UHFFFAOYSA-N 0 2 301.789 3.843 20 0 DHADLN CC1(C2CC2)CCN(C(=O)c2cc(F)c(O)c(Cl)c2)CC1 ZINC000436606960 338279657 /nfs/dbraw/zinc/27/96/57/338279657.db2.gz NMCGVZIOXIIEOS-UHFFFAOYSA-N 0 2 311.784 3.837 20 0 DHADLN C[C@@H](Cc1cccs1)NC(=O)c1cc(F)cc(Cl)c1O ZINC000436633010 338280784 /nfs/dbraw/zinc/28/07/84/338280784.db2.gz IFCNFVLUWPMOKY-QMMMGPOBSA-N 0 2 313.781 3.607 20 0 DHADLN O=C(c1ccc(Cl)c(Cl)c1O)N1CCC[C@@H]1C(F)F ZINC000436694823 338283212 /nfs/dbraw/zinc/28/32/12/338283212.db2.gz CUUYDLYJLJSQEV-MRVPVSSYSA-N 0 2 310.127 3.569 20 0 DHADLN O=C(Nc1cc2c(cn1)CCC2)c1c(O)cc(Cl)cc1Cl ZINC000436723347 338284222 /nfs/dbraw/zinc/28/42/22/338284222.db2.gz TWBKFGWCTPLBKM-UHFFFAOYSA-N 0 2 323.179 3.835 20 0 DHADLN C[C@H](CCCC(F)(F)F)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000436822081 338288620 /nfs/dbraw/zinc/28/86/20/338288620.db2.gz NGQDCLWFSFZHSK-SSDOTTSWSA-N 0 2 311.250 3.521 20 0 DHADLN CC(C)CN(CC(C)C)C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000436854368 338290108 /nfs/dbraw/zinc/29/01/08/338290108.db2.gz FDUBBPZDIZYWBS-UHFFFAOYSA-N 0 2 301.789 3.939 20 0 DHADLN CC(C)c1cccc(CNC(=O)c2cc(F)c(O)c(F)c2)c1 ZINC000436945694 338295147 /nfs/dbraw/zinc/29/51/47/338295147.db2.gz BKXGCFPVSLRBHL-UHFFFAOYSA-N 0 2 305.324 3.724 20 0 DHADLN CC(C)n1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)n1 ZINC000436963670 338296174 /nfs/dbraw/zinc/29/61/74/338296174.db2.gz FCTKBPASKXEDRY-UHFFFAOYSA-N 0 2 314.172 3.729 20 0 DHADLN Cc1cccn2c(/C=C\c3nc4ccc(C(=O)[O-])cc4o3)c[nH+]c12 ZINC000439269976 338365529 /nfs/dbraw/zinc/36/55/29/338365529.db2.gz GZDRKBVGOXYICJ-ALCCZGGFSA-N 0 2 319.320 3.653 20 0 DHADLN Cc1cccn2c(/C=C/c3nc4cc(C(=O)[O-])ccc4o3)c[nH+]c12 ZINC000439271279 338365701 /nfs/dbraw/zinc/36/57/01/338365701.db2.gz IRBTYCWUPNAEHU-FNORWQNLSA-N 0 2 319.320 3.653 20 0 DHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc3ccoc3c2)c1 ZINC000442845440 338434326 /nfs/dbraw/zinc/43/43/26/338434326.db2.gz NAKNQCBWPJRPGM-UHFFFAOYSA-N 0 2 305.330 3.681 20 0 DHADLN CC(C)(C)c1ccccc1S(=O)(=O)Nc1cc(Cl)ccn1 ZINC000446719940 338533564 /nfs/dbraw/zinc/53/35/64/338533564.db2.gz 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C[C@H]1CCC[N@@H+](Cc2csc(-c3ccsc3)n2)[C@H]1C(=O)[O-] ZINC000300293851 1020985792 /nfs/dbraw/zinc/98/57/92/1020985792.db2.gz HOIAEWDLXFMQMR-GXFFZTMASA-N 0 2 322.455 3.557 20 0 DHADLN Oc1c(Cl)cc(CN2CCC[C@H]2c2cnccn2)cc1Cl ZINC001140834481 1021109552 /nfs/dbraw/zinc/10/95/52/1021109552.db2.gz MVLFPKYYQMFMRN-AWEZNQCLSA-N 0 2 324.211 3.826 20 0 DHADLN Cc1ccc([C@H](C)[NH2+]Cc2nc(-c3ccc(F)cc3)n[nH]2)s1 ZINC000538018653 1032975217 /nfs/dbraw/zinc/97/52/17/1032975217.db2.gz WSRILMPHLWFPML-NSHDSACASA-N 0 2 316.405 3.832 20 0 DHADLN C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1csc(C(F)(F)F)c1 ZINC000924650777 1032975570 /nfs/dbraw/zinc/97/55/70/1032975570.db2.gz WXFZIKRLHJJBPT-UWVGGRQHSA-N 0 2 303.353 3.703 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Cl)nc1 ZINC000154705564 1021502157 /nfs/dbraw/zinc/50/21/57/1021502157.db2.gz XKXJXANRJLPBJL-UHFFFAOYSA-N 0 2 317.559 4.000 20 0 DHADLN O=C(COc1ccsc1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000337434856 1032995168 /nfs/dbraw/zinc/99/51/68/1032995168.db2.gz 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CC[N@@H+](Cc1nc(C)c(-c2ccc(Cl)cc2)o1)[C@H](C)C(=O)[O-] ZINC000662215241 1023984217 /nfs/dbraw/zinc/98/42/17/1023984217.db2.gz IZZYAKXCQPUIPF-LLVKDONJSA-N 0 2 322.792 3.598 20 0 DHADLN CC[C@@H](CC(C)C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001172396905 1033182430 /nfs/dbraw/zinc/18/24/30/1033182430.db2.gz HPNPLDSIZUXACD-SJORKVTESA-N 0 2 320.525 3.925 20 0 DHADLN CCC[C@H]([NH2+]Cc1nnc(COc2ccccc2)[nH]1)C(C)(C)C ZINC000453189174 1024389381 /nfs/dbraw/zinc/38/93/81/1024389381.db2.gz ASEXTBDEEXFSAR-HNNXBMFYSA-N 0 2 316.449 3.688 20 0 DHADLN C[C@@]1(C(=O)[O-])CCN(c2[nH+]ccc3cc(C(F)(F)F)ccc32)C1 ZINC000263401340 1024963725 /nfs/dbraw/zinc/96/37/25/1024963725.db2.gz IZRAIVPGLJRLLC-OAHLLOKOSA-N 0 2 324.302 3.555 20 0 DHADLN Cc1cc2cn[nH]c2c(C(=O)Nc2cc(F)cc(Cl)c2O)c1 ZINC000353887428 1025280654 /nfs/dbraw/zinc/28/06/54/1025280654.db2.gz IXNHHMHLQXOMCA-UHFFFAOYSA-N 0 2 319.723 3.622 20 0 DHADLN C[C@@]1(Cc2cccs2)CCCN1C(=O)C(F)C(F)(F)F ZINC000885252688 1025299471 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ZINC000811524310 1027020209 /nfs/dbraw/zinc/02/02/09/1027020209.db2.gz ZKDQQXQICDNIEQ-KBPBESRZSA-N 0 2 317.326 3.855 20 0 DHADLN CC[C@@H](c1ccccc1OC)N(C)C(=O)C(F)C(F)(F)F ZINC000811528130 1027021278 /nfs/dbraw/zinc/02/12/78/1027021278.db2.gz DZYLNAZUKIPZLE-JQWIXIFHSA-N 0 2 307.287 3.505 20 0 DHADLN CC[C@@H](c1ccccc1OC)N(C)C(=O)[C@H](F)C(F)(F)F ZINC000811528130 1027021283 /nfs/dbraw/zinc/02/12/83/1027021283.db2.gz DZYLNAZUKIPZLE-JQWIXIFHSA-N 0 2 307.287 3.505 20 0 DHADLN O=C(c1cc(F)cc(Cl)c1O)N1CC[C@H](C2CCCC2)C1 ZINC000421957309 1027090694 /nfs/dbraw/zinc/09/06/94/1027090694.db2.gz YWZZCCZCBVKTFI-NSHDSACASA-N 0 2 311.784 3.837 20 0 DHADLN CCC[C@@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C1CCCCC1 ZINC000572804511 1027233927 /nfs/dbraw/zinc/23/39/27/1027233927.db2.gz HVMLXUPUAFRPGH-CMPLNLGQSA-N 0 2 315.401 3.606 20 0 DHADLN O=C(NOC/C=C\Cl)C1(c2ccc(Cl)cc2)CCCC1 ZINC000812401708 1027263315 /nfs/dbraw/zinc/26/33/15/1027263315.db2.gz NPGDCMGAKHQGRJ-KMKOMSMNSA-N 0 2 314.212 3.952 20 0 DHADLN 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KPSIMIPKQCERPG-QWHCGFSZSA-N 0 2 303.299 3.683 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CC[C@@H](Cc2cccc(Cl)c2)C1 ZINC000365640337 1027990027 /nfs/dbraw/zinc/99/00/27/1027990027.db2.gz AZAJHCZYOJIVCG-CMPLNLGQSA-N 0 2 323.717 3.631 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CC[C@@H](Cc2cccc(Cl)c2)C1 ZINC000365640337 1027990040 /nfs/dbraw/zinc/99/00/40/1027990040.db2.gz AZAJHCZYOJIVCG-CMPLNLGQSA-N 0 2 323.717 3.631 20 0 DHADLN N#C[C@@H](C(=O)c1cccc2cn[nH]c21)c1ccc2ccccc2n1 ZINC000048856379 1028273613 /nfs/dbraw/zinc/27/36/13/1028273613.db2.gz OXZFSSJMQAAFCE-OAHLLOKOSA-N 0 2 312.332 3.601 20 0 DHADLN N#C[C@@H](C(=O)c1cccc2c[nH]nc21)c1ccc2ccccc2n1 ZINC000048856379 1028273626 /nfs/dbraw/zinc/27/36/26/1028273626.db2.gz OXZFSSJMQAAFCE-OAHLLOKOSA-N 0 2 312.332 3.601 20 0 DHADLN CC(C)[NH+]1CCc2nc(C[N@@H+]3CCC[C@@H]4CCC[C@@H]43)sc2C1 ZINC000368617824 1028384457 /nfs/dbraw/zinc/38/44/57/1028384457.db2.gz SOAYTQJUDIPXPN-HOCLYGCPSA-N 0 2 319.518 3.674 20 0 DHADLN COc1ccccc1[C@@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC000815470024 1028514350 /nfs/dbraw/zinc/51/43/50/1028514350.db2.gz HWCPFAMHMXOKKZ-WCQYABFASA-N 0 2 319.298 3.649 20 0 DHADLN COc1ccccc1[C@@H]1CCCCN1C(=O)[C@@H](F)C(F)(F)F ZINC000815470024 1028514360 /nfs/dbraw/zinc/51/43/60/1028514360.db2.gz HWCPFAMHMXOKKZ-WCQYABFASA-N 0 2 319.298 3.649 20 0 DHADLN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)C(F)C(F)(F)F ZINC000815721931 1028612509 /nfs/dbraw/zinc/61/25/09/1028612509.db2.gz BVDADVYZBCGGDV-OLZOCXBDSA-N 0 2 323.305 3.752 20 0 DHADLN CC(C)[C@@H](Cc1ccc(F)cc1)N(C)C(=O)[C@H](F)C(F)(F)F ZINC000815721931 1028612518 /nfs/dbraw/zinc/61/25/18/1028612518.db2.gz BVDADVYZBCGGDV-OLZOCXBDSA-N 0 2 323.305 3.752 20 0 DHADLN CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)C(F)C(F)(F)F ZINC000815721933 1028612942 /nfs/dbraw/zinc/61/29/42/1028612942.db2.gz BVDADVYZBCGGDV-STQMWFEESA-N 0 2 323.305 3.752 20 0 DHADLN CC(C)[C@H](Cc1ccc(F)cc1)N(C)C(=O)[C@H](F)C(F)(F)F ZINC000815721933 1028612953 /nfs/dbraw/zinc/61/29/53/1028612953.db2.gz BVDADVYZBCGGDV-STQMWFEESA-N 0 2 323.305 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/nfs/dbraw/zinc/24/51/04/185245104.db2.gz CKMKIDZSAIOHAX-LLVKDONJSA-N 0 2 324.446 3.529 20 0 DHADLN Cc1cc(Cl)ccc1NS(=O)(=O)c1c(F)cccc1F ZINC000003532626 181030209 /nfs/dbraw/zinc/03/02/09/181030209.db2.gz RKCKWVIEYNIACT-UHFFFAOYSA-N 0 2 317.744 3.727 20 0 DHADLN O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccccc1F ZINC000003581326 181037329 /nfs/dbraw/zinc/03/73/29/181037329.db2.gz ORFAWXAGXOKSPS-UHFFFAOYSA-N 0 2 320.172 3.933 20 0 DHADLN Cc1ccc([C@H]2CCCCN2C(=O)c2cc(F)c(O)c(F)c2)o1 ZINC000186832471 200018777 /nfs/dbraw/zinc/01/87/77/200018777.db2.gz AWQWFERULPQZNC-CQSZACIVSA-N 0 2 321.323 3.939 20 0 DHADLN CCOc1ccccc1NS(=O)(=O)c1ccccc1Cl ZINC000006328290 181330234 /nfs/dbraw/zinc/33/02/34/181330234.db2.gz NXTMZGKPWQCYRS-UHFFFAOYSA-N 0 2 311.790 3.540 20 0 DHADLN CC(C)(Oc1ccc(F)cc1)C(=O)N1CCc2ccccc2C1 ZINC000028651529 182533855 /nfs/dbraw/zinc/53/38/55/182533855.db2.gz RYHPIUOCSUQXIK-UHFFFAOYSA-N 0 2 313.372 3.568 20 0 DHADLN Cc1cc[nH+]cc1CCC[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000289044684 131353622 /nfs/dbraw/zinc/35/36/22/131353622.db2.gz AYMMXGBWFYYWDP-UHFFFAOYSA-N 0 2 307.397 3.767 20 0 DHADLN Cc1ccccc1C1(C[NH2+][C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000289322524 131374631 /nfs/dbraw/zinc/37/46/31/131374631.db2.gz UUEGBCJFTBBKMG-SFHVURJKSA-N 0 2 318.424 3.524 20 0 DHADLN Cc1ccc(C[NH2+][C@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)nc1 ZINC000340685705 132154004 /nfs/dbraw/zinc/15/40/04/132154004.db2.gz AKPBKCXTOMVCOB-HXUWFJFHSA-N 0 2 324.424 3.531 20 0 DHADLN Cc1cscc1NS(=O)(=O)c1cccc(Cl)c1F ZINC000161657190 332778712 /nfs/dbraw/zinc/77/87/12/332778712.db2.gz VZRMWAZLZDBANE-UHFFFAOYSA-N 0 2 305.783 3.650 20 0 DHADLN O=S(=O)(Nc1cccc(CC(F)(F)F)c1)c1cccs1 ZINC000174759262 332863688 /nfs/dbraw/zinc/86/36/88/332863688.db2.gz WKAGHKGRRXOZPX-UHFFFAOYSA-N 0 2 321.345 3.654 20 0 DHADLN c1n[nH]c([C@@H]([NH2+]CC2(c3ccccc3)CC2)C2CCCCC2)n1 ZINC000518465460 332057233 /nfs/dbraw/zinc/05/72/33/332057233.db2.gz VYNKJOJANLFMBH-KRWDZBQOSA-N 0 2 310.445 3.748 20 0 DHADLN O=C(Nc1ccc2c(c1)COC2)c1c(O)cc(Cl)cc1Cl ZINC000092047481 332118075 /nfs/dbraw/zinc/11/80/75/332118075.db2.gz OZYCTMOVQXPALB-UHFFFAOYSA-N 0 2 324.163 3.982 20 0 DHADLN CC1(C)CC[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2O)O1 ZINC000426911244 332161567 /nfs/dbraw/zinc/16/15/67/332161567.db2.gz HTDDLELKSDPLQD-SNVBAGLBSA-N 0 2 304.173 3.595 20 0 DHADLN C[C@H]1CC[N@H+](Cc2csc(-c3cccs3)n2)[C@H](C(=O)[O-])C1 ZINC000566366814 332381913 /nfs/dbraw/zinc/38/19/13/332381913.db2.gz JOQIWQLQXLYRME-JQWIXIFHSA-N 0 2 322.455 3.557 20 0 DHADLN C[C@H]1CC[N@@H+](Cc2csc(-c3cccs3)n2)[C@H](C(=O)[O-])C1 ZINC000566366814 332381915 /nfs/dbraw/zinc/38/19/15/332381915.db2.gz JOQIWQLQXLYRME-JQWIXIFHSA-N 0 2 322.455 3.557 20 0 DHADLN Cc1ccc(CS(=O)(=O)Nc2nc(C(C)C)cs2)cc1 ZINC000561383229 332443926 /nfs/dbraw/zinc/44/39/26/332443926.db2.gz YJUZHXQVLNDIFJ-UHFFFAOYSA-N 0 2 310.444 3.517 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCc2ccc(Cl)cc21 ZINC000180114751 333027210 /nfs/dbraw/zinc/02/72/10/333027210.db2.gz SNSAZCHWGWKLCH-UHFFFAOYSA-N 0 2 309.699 3.527 20 0 DHADLN C[C@H](c1ccccc1Cl)[N@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC000378657983 333041506 /nfs/dbraw/zinc/04/15/06/333041506.db2.gz DLRFLIGYXCGGQB-SECBINFHSA-N 0 2 310.806 3.688 20 0 DHADLN C[C@H](c1ccccc1Cl)[N@@H+](C)Cc1nc(C(=O)[O-])cs1 ZINC000378657983 333041507 /nfs/dbraw/zinc/04/15/07/333041507.db2.gz DLRFLIGYXCGGQB-SECBINFHSA-N 0 2 310.806 3.688 20 0 DHADLN C[C@@H](c1ccccc1F)N(C)C(=O)c1cc(F)c(O)c(F)c1 ZINC000183372740 333056323 /nfs/dbraw/zinc/05/63/23/333056323.db2.gz FKQAUOIZEHCLKW-VIFPVBQESA-N 0 2 309.287 3.643 20 0 DHADLN O=C(N[C@H](c1ccccc1)C1CCC1)c1cc(F)c(O)c(F)c1 ZINC000183568509 333059360 /nfs/dbraw/zinc/05/93/60/333059360.db2.gz FKJBNQJSLYRLNU-MRXNPFEDSA-N 0 2 317.335 3.942 20 0 DHADLN Cc1cc(CNC(=O)c2cc(F)c(O)c(F)c2)ccc1Cl ZINC000183562236 333059385 /nfs/dbraw/zinc/05/93/85/333059385.db2.gz CRESDSHIKPSEGX-UHFFFAOYSA-N 0 2 311.715 3.562 20 0 DHADLN CC(C)(CNC(=O)c1cc(F)c(O)c(Cl)c1)c1ccccc1 ZINC000184247270 333352074 /nfs/dbraw/zinc/35/20/74/333352074.db2.gz ZZQBVXQDOMEQOE-UHFFFAOYSA-N 0 2 321.779 3.892 20 0 DHADLN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000184415887 333358377 /nfs/dbraw/zinc/35/83/77/333358377.db2.gz GNZLZALYYGDDPA-BFVZDQMLSA-N 0 2 311.784 3.978 20 0 DHADLN CC(C)(C)c1cccc(NC(=O)c2cc(F)c(O)c(F)c2)c1O ZINC000185856009 333371466 /nfs/dbraw/zinc/37/14/66/333371466.db2.gz NVXPWKNPXLBSEJ-UHFFFAOYSA-N 0 2 321.323 3.926 20 0 DHADLN O=C(Nc1c(F)cccc1NC1CC1)c1cc(F)c(O)c(F)c1 ZINC000186844868 333379826 /nfs/dbraw/zinc/37/98/26/333379826.db2.gz NKTOFVRSLLGKTA-UHFFFAOYSA-N 0 2 322.286 3.636 20 0 DHADLN O=C(NC[C@@H]1CCCCC1(F)F)c1cc(F)c(O)c(Cl)c1 ZINC000295463055 334223451 /nfs/dbraw/zinc/22/34/51/334223451.db2.gz QECDINLHZXWACK-VIFPVBQESA-N 0 2 321.726 3.740 20 0 DHADLN CC(C)=CCC[C@H](C)NC(=O)c1cc(F)c(F)c(O)c1F ZINC000297061096 334239014 /nfs/dbraw/zinc/23/90/14/334239014.db2.gz XFELWAVSVOHREM-VIFPVBQESA-N 0 2 301.308 3.674 20 0 DHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000048652529 334290952 /nfs/dbraw/zinc/29/09/52/334290952.db2.gz IEWFUOFJDOJBAT-UHFFFAOYSA-N 0 2 313.781 3.897 20 0 DHADLN Cc1ccc(F)c(S(=O)(=O)Nc2ccc(Cl)cc2C)c1 ZINC000048652594 334291074 /nfs/dbraw/zinc/29/10/74/334291074.db2.gz VQGRNAGYADIYPF-UHFFFAOYSA-N 0 2 313.781 3.897 20 0 DHADLN CCOc1cc(C)ccc1NS(=O)(=O)c1ccc(C)s1 ZINC000048655623 334293810 /nfs/dbraw/zinc/29/38/10/334293810.db2.gz PNOAJGHZZCARQK-UHFFFAOYSA-N 0 2 311.428 3.564 20 0 DHADLN CC[C@@H](C)Oc1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000048962192 334303398 /nfs/dbraw/zinc/30/33/98/334303398.db2.gz HGDBNRCZVLMLTN-LLVKDONJSA-N 0 2 311.428 3.726 20 0 DHADLN CO[C@H](CC(C)C)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000416184799 334654167 /nfs/dbraw/zinc/65/41/67/334654167.db2.gz QJBTYGKMZPOBQF-LLVKDONJSA-N 0 2 306.189 3.699 20 0 DHADLN O=C(NCC1(c2ccccc2)CC1)c1cc(F)c(O)c(Cl)c1 ZINC000188946385 334881040 /nfs/dbraw/zinc/88/10/40/334881040.db2.gz KLGZWHNMCMXZAQ-UHFFFAOYSA-N 0 2 319.763 3.646 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1conc1C1CC1 ZINC000343890838 335203885 /nfs/dbraw/zinc/20/38/85/335203885.db2.gz NTUGKFBVHJGEJB-UHFFFAOYSA-N 0 2 313.140 3.817 20 0 DHADLN O=C(CCc1cncs1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000344566927 335258806 /nfs/dbraw/zinc/25/88/06/335258806.db2.gz NBCOKTLHXVFCBA-UHFFFAOYSA-N 0 2 317.197 3.727 20 0 DHADLN CC(C)n1cc(C(=O)Nc2cc(Cl)cc(Cl)c2O)cn1 ZINC000346595373 335421892 /nfs/dbraw/zinc/42/18/92/335421892.db2.gz RENQCKNINYPAFL-UHFFFAOYSA-N 0 2 314.172 3.729 20 0 DHADLN CC[C@H](C)[C@H]1CCCCN1C(=O)c1cc(F)c(F)c(O)c1F ZINC000349111734 335631800 /nfs/dbraw/zinc/63/18/00/335631800.db2.gz UJGSBTBBXZJSFZ-JOYOIKCWSA-N 0 2 315.335 3.850 20 0 DHADLN O=S(=O)(Nc1ccc(Cl)cn1)c1cccc2ccccc21 ZINC000034163361 335810762 /nfs/dbraw/zinc/81/07/62/335810762.db2.gz ZXHJYIKRTFKSEF-UHFFFAOYSA-N 0 2 318.785 3.689 20 0 DHADLN Cc1sc(/C=C\c2cc(-n3cc[nH+]c3)cs2)nc1C(=O)[O-] ZINC000352025271 336190084 /nfs/dbraw/zinc/19/00/84/336190084.db2.gz DTOOLIMZVTUSPL-IHWYPQMZSA-N 0 2 317.395 3.567 20 0 DHADLN CC(C)c1nc(N(C)C[C@H]2CCC[N@H+](C)C2)cc(C(C)(C)C)[nH+]1 ZINC000302905542 336374010 /nfs/dbraw/zinc/37/40/10/336374010.db2.gz SMNWFUKUDUGTNT-HNNXBMFYSA-N 0 2 318.509 3.676 20 0 DHADLN CSCc1ccccc1NS(=O)(=O)c1ccc(C)s1 ZINC000353022779 336380342 /nfs/dbraw/zinc/38/03/42/336380342.db2.gz DUSSHMBJAVOGCT-UHFFFAOYSA-N 0 2 313.469 3.720 20 0 DHADLN O=C(Nc1cccc(F)c1F)c1cc(F)c(O)c(Cl)c1 ZINC000446027089 338518177 /nfs/dbraw/zinc/51/81/77/338518177.db2.gz CHGSYAYRLIOJBV-UHFFFAOYSA-N 0 2 301.651 3.715 20 0 DHADLN Cc1ccc([C@@H]2CCCN2C(=O)[C@@H](F)C(F)(F)F)cc1C ZINC000377751533 337060109 /nfs/dbraw/zinc/06/01/09/337060109.db2.gz ZFTUSAYVQAXBGC-QWHCGFSZSA-N 0 2 303.299 3.867 20 0 DHADLN Cc1ccc([C@@H]2CCCN2C(=O)C(F)C(F)(F)F)cc1C ZINC000377751533 337060110 /nfs/dbraw/zinc/06/01/10/337060110.db2.gz ZFTUSAYVQAXBGC-QWHCGFSZSA-N 0 2 303.299 3.867 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2O)c(C)s1 ZINC000172592105 337130251 /nfs/dbraw/zinc/13/02/51/337130251.db2.gz NZTVQJLBWRANRK-UHFFFAOYSA-N 0 2 317.819 3.525 20 0 DHADLN C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cccc(O)c1 ZINC000178756301 337164973 /nfs/dbraw/zinc/16/49/73/337164973.db2.gz XCNKTDNZYCKOAN-TXPKVOOTSA-N 0 2 310.441 3.706 20 0 DHADLN CC(C)N(Cc1ccccc1)C(=O)c1cc(F)c(F)c(O)c1F ZINC000183359919 337191437 /nfs/dbraw/zinc/19/14/37/337191437.db2.gz GDUGUOPKYHXEMO-UHFFFAOYSA-N 0 2 323.314 3.860 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCC[C@@]2(CC=CCC2)C1 ZINC000183622729 337193933 /nfs/dbraw/zinc/19/39/33/337193933.db2.gz SNQJKPQOOOESHX-KRWDZBQOSA-N 0 2 307.340 3.633 20 0 DHADLN Cc1oc2ccc(NC(=O)c3ccc4[nH]nnc4c3)cc2c1C ZINC000185407476 337204904 /nfs/dbraw/zinc/20/49/04/337204904.db2.gz VGNBNSNUVPSJJT-UHFFFAOYSA-N 0 2 306.325 3.573 20 0 DHADLN CC(C)c1ccccc1S(=O)(=O)Nc1cnn(C(C)(C)C)c1 ZINC000188973359 337276162 /nfs/dbraw/zinc/27/61/62/337276162.db2.gz SRVREIKQHTVNJC-UHFFFAOYSA-N 0 2 321.446 3.562 20 0 DHADLN CCc1nnc(C2CC[NH+]([C@@H](C)c3cc(F)ccc3F)CC2)[nH]1 ZINC000190685252 337289625 /nfs/dbraw/zinc/28/96/25/337289625.db2.gz ARBXAOHIKXHYEX-NSHDSACASA-N 0 2 320.387 3.586 20 0 DHADLN CCc1n[nH]c(C2CC[NH+]([C@@H](C)c3cc(F)ccc3F)CC2)n1 ZINC000190685252 337289626 /nfs/dbraw/zinc/28/96/26/337289626.db2.gz ARBXAOHIKXHYEX-NSHDSACASA-N 0 2 320.387 3.586 20 0 DHADLN CCc1nc(C2CC[NH+]([C@@H](C)c3cc(F)ccc3F)CC2)n[nH]1 ZINC000190685252 337289627 /nfs/dbraw/zinc/28/96/27/337289627.db2.gz ARBXAOHIKXHYEX-NSHDSACASA-N 0 2 320.387 3.586 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2nc(C)c(C)s2)sc1Cl ZINC000191537219 337298822 /nfs/dbraw/zinc/29/88/22/337298822.db2.gz LVSFZOWFWKNGCO-UHFFFAOYSA-N 0 2 322.864 3.584 20 0 DHADLN Cc1ccc(-c2nc(C[N@@H+](C)[C@H](CC(C)C)C(=O)[O-])co2)cc1 ZINC000584475139 337346251 /nfs/dbraw/zinc/34/62/51/337346251.db2.gz VQPHRHPIUXXEKK-MRXNPFEDSA-N 0 2 316.401 3.581 20 0 DHADLN Cc1ccc(-c2nc(C[N@H+](C)[C@H](CC(C)C)C(=O)[O-])co2)cc1 ZINC000584475139 337346252 /nfs/dbraw/zinc/34/62/52/337346252.db2.gz VQPHRHPIUXXEKK-MRXNPFEDSA-N 0 2 316.401 3.581 20 0 DHADLN Cc1ccc(S(O)=CC(=O)N(C(C)C)C2CCCC2)c(C)c1 ZINC000132482751 337442413 /nfs/dbraw/zinc/44/24/13/337442413.db2.gz 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C[C@H]([NH2+][C@H](C(=O)[O-])c1ccccc1F)c1c(F)cccc1F ZINC000827718755 600741592 /nfs/dbraw/zinc/74/15/92/600741592.db2.gz XLESZHPPKDUQFZ-VFZGTOFNSA-N 0 2 309.287 3.580 20 0 DHADLN Cc1ccc([C@H]2CCC[N@@H+]2[C@@H](C(=O)[O-])c2ccccc2F)o1 ZINC000570219100 601012175 /nfs/dbraw/zinc/01/21/75/601012175.db2.gz GSJGCNMWVFQNPI-GDBMZVCRSA-N 0 2 303.333 3.690 20 0 DHADLN Cc1ccc([C@H]2CCC[N@H+]2[C@@H](C(=O)[O-])c2ccccc2F)o1 ZINC000570219100 601012179 /nfs/dbraw/zinc/01/21/79/601012179.db2.gz GSJGCNMWVFQNPI-GDBMZVCRSA-N 0 2 303.333 3.690 20 0 DHADLN Cn1c[nH+]cc1CNc1ccc(Oc2ccccc2)cc1C(=O)[O-] ZINC000833058239 601908677 /nfs/dbraw/zinc/90/86/77/601908677.db2.gz HQQBVDNYWFQRJO-UHFFFAOYSA-N 0 2 323.352 3.523 20 0 DHADLN Cc1cc(C[N@@H+]2CCc3c(F)cc(F)cc3[C@@H]2C)oc1C(=O)[O-] ZINC000832883080 602243373 /nfs/dbraw/zinc/24/33/73/602243373.db2.gz RAHQWDXEUQJBQA-JTQLQIEISA-N 0 2 321.323 3.684 20 0 DHADLN Cc1cc(C[N@H+]2CCc3c(F)cc(F)cc3[C@@H]2C)oc1C(=O)[O-] ZINC000832883080 602243376 /nfs/dbraw/zinc/24/33/76/602243376.db2.gz RAHQWDXEUQJBQA-JTQLQIEISA-N 0 2 321.323 3.684 20 0 DHADLN Cc1[nH]c2ccc(NC(=O)c3ccc(C)c(NC(=O)[O-])c3)cc2[nH+]1 ZINC000830786253 603268999 /nfs/dbraw/zinc/26/89/99/603268999.db2.gz YZFCUGNNTOOUPX-UHFFFAOYSA-N 0 2 324.340 3.522 20 0 DHADLN O=C([O-])c1coc(C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2F)c1 ZINC000833339980 604454639 /nfs/dbraw/zinc/45/46/39/604454639.db2.gz PYUFXMVKTWNIBU-INIZCTEOSA-N 0 2 321.323 3.983 20 0 DHADLN O=C([O-])c1coc(C[N@H+]2CCCC[C@H]2c2ccc(F)cc2F)c1 ZINC000833339980 604454641 /nfs/dbraw/zinc/45/46/41/604454641.db2.gz PYUFXMVKTWNIBU-INIZCTEOSA-N 0 2 321.323 3.983 20 0 DHADLN CC(C)(C)c1ncc(C[N@H+](CC(=O)[O-])Cc2ccccc2)s1 ZINC000833450786 604560185 /nfs/dbraw/zinc/56/01/85/604560185.db2.gz JFSLGRRWZIPOQO-UHFFFAOYSA-N 0 2 318.442 3.527 20 0 DHADLN CC(C)(C)c1ncc(C[N@@H+](CC(=O)[O-])Cc2ccccc2)s1 ZINC000833450786 604560187 /nfs/dbraw/zinc/56/01/87/604560187.db2.gz JFSLGRRWZIPOQO-UHFFFAOYSA-N 0 2 318.442 3.527 20 0 DHADLN C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC000833545877 604750253 /nfs/dbraw/zinc/75/02/53/604750253.db2.gz BFPSJNSBXWFEQJ-JTQLQIEISA-N 0 2 323.314 3.995 20 0 DHADLN C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC000833545877 604750255 /nfs/dbraw/zinc/75/02/55/604750255.db2.gz BFPSJNSBXWFEQJ-JTQLQIEISA-N 0 2 323.314 3.995 20 0 DHADLN C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000833547924 605071998 /nfs/dbraw/zinc/07/19/98/605071998.db2.gz YZCLAAWNEGDDDW-AMIZOPFISA-N 0 2 306.164 3.553 20 0 DHADLN C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000833547924 605072003 /nfs/dbraw/zinc/07/20/03/605072003.db2.gz YZCLAAWNEGDDDW-AMIZOPFISA-N 0 2 306.164 3.553 20 0 DHADLN O=C([O-])c1ccc(F)c(C[N@@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC001231456460 960605456 /nfs/dbraw/zinc/60/54/56/960605456.db2.gz ZKKHBKVHDLXAHK-UHFFFAOYSA-N 0 2 319.763 3.736 20 0 DHADLN O=C([O-])c1ccc(F)c(C[N@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC001231456460 960605461 /nfs/dbraw/zinc/60/54/61/960605461.db2.gz ZKKHBKVHDLXAHK-UHFFFAOYSA-N 0 2 319.763 3.736 20 0 DHADLN C[C@H](Nc1ccc(C(=O)[O-])c[nH+]1)c1nc(C(C)(C)C)cs1 ZINC001345944070 962317747 /nfs/dbraw/zinc/31/77/47/962317747.db2.gz JOHCPXJCHJXQGT-VIFPVBQESA-N 0 2 305.403 3.707 20 0 DHADLN O=C([O-])c1ccc(C[NH2+][C@@H](CCc2ccccc2)C(F)F)cc1 ZINC000263435305 967892840 /nfs/dbraw/zinc/89/28/40/967892840.db2.gz UGIZAZVITGULKB-INIZCTEOSA-N 0 2 319.351 3.741 20 0 DHADLN COCCC[C@@H](C)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000155449113 1013756906 /nfs/dbraw/zinc/75/69/06/1013756906.db2.gz JJDGEQRCNLIVFH-MRVPVSSYSA-N 0 2 306.189 3.700 20 0 DHADLN C[C@H]1CC[C@H](CCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)O1 ZINC000155515625 1013888754 /nfs/dbraw/zinc/88/87/54/1013888754.db2.gz CHKZGBXDBYBTIB-WCBMZHEXSA-N 0 2 318.200 3.985 20 0 DHADLN CCOC(=O)c1cc2ccc(N)cc2n1-c1cccc(S)c1 ZINC001210950612 1014095849 /nfs/dbraw/zinc/09/58/49/1014095849.db2.gz QKYZBJYRKNSGJO-UHFFFAOYSA-N 0 2 312.394 3.678 20 0 DHADLN O=C([O-])c1ccc(C[N@@H+]2CCc3sc(Cl)cc3C2)cc1 ZINC001606483650 973968609 /nfs/dbraw/zinc/96/86/09/973968609.db2.gz KJSLDTOWLJIQAM-UHFFFAOYSA-N 0 2 307.802 3.658 20 0 DHADLN O=C([O-])c1ccc(C[N@H+]2CCc3sc(Cl)cc3C2)cc1 ZINC001606483650 973968613 /nfs/dbraw/zinc/96/86/13/973968613.db2.gz KJSLDTOWLJIQAM-UHFFFAOYSA-N 0 2 307.802 3.658 20 0 DHADLN C[N@H+](Cc1nc(-c2ccccc2Cl)cs1)C(C)(C)C(=O)[O-] ZINC000565485679 974582671 /nfs/dbraw/zinc/58/26/71/974582671.db2.gz FPSYRYHDWSIFAV-UHFFFAOYSA-N 0 2 324.833 3.759 20 0 DHADLN C[N@@H+](Cc1nc(-c2ccccc2Cl)cs1)C(C)(C)C(=O)[O-] ZINC000565485679 974582680 /nfs/dbraw/zinc/58/26/80/974582680.db2.gz FPSYRYHDWSIFAV-UHFFFAOYSA-N 0 2 324.833 3.759 20 0 DHADLN CC(C)c1ncc(C[N@H+](C)[C@H](C(=O)[O-])c2ccccc2)s1 ZINC001592033048 976748054 /nfs/dbraw/zinc/74/80/54/976748054.db2.gz GUTSUXALDDFSHJ-AWEZNQCLSA-N 0 2 304.415 3.524 20 0 DHADLN CC(C)c1ncc(C[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2)s1 ZINC001592033048 976748064 /nfs/dbraw/zinc/74/80/64/976748064.db2.gz GUTSUXALDDFSHJ-AWEZNQCLSA-N 0 2 304.415 3.524 20 0 DHADLN CC(C)n1c[nH+]cc1/C=C(\C(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC001592145844 977006511 /nfs/dbraw/zinc/00/65/11/977006511.db2.gz XIXKRPXCAZOOLE-SDQBBNPISA-N 0 2 319.430 3.843 20 0 DHADLN C[C@H]1CCC[C@@H](CC(=O)N=c2nc(-c3ccsc3)[nH]s2)C1 ZINC000520967134 1014622288 /nfs/dbraw/zinc/62/22/88/1014622288.db2.gz GSRWYIFEDLKJOP-WDEREUQCSA-N 0 2 321.471 3.843 20 0 DHADLN Cc1ccc([C@@H]([NH2+]Cc2cnc(C3CC3)s2)C(=O)[O-])cc1C ZINC000901844660 980566861 /nfs/dbraw/zinc/56/68/61/980566861.db2.gz NQBUMNKXIIXMDM-OAHLLOKOSA-N 0 2 316.426 3.553 20 0 DHADLN CC1CCC(CC(=O)N=c2nc(-c3ccsc3)[nH]s2)CC1 ZINC000522336245 1015041364 /nfs/dbraw/zinc/04/13/64/1015041364.db2.gz UPSOMIKYMZQVHE-UHFFFAOYSA-N 0 2 321.471 3.843 20 0 DHADLN Cc1csc(C(C#N)C(=O)[C@@H]2CCCc3sccc32)n1 ZINC000155904047 1015309523 /nfs/dbraw/zinc/30/95/23/1015309523.db2.gz LUMJSYHWAXEDNX-NEPJUHHUSA-N 0 2 302.424 3.809 20 0 DHADLN CCc1oc(CNc2ccc([NH+]3CCCC3)cc2)cc1C(=O)[O-] ZINC001597804647 989407385 /nfs/dbraw/zinc/40/73/85/989407385.db2.gz ICSWDVPZEWJOST-UHFFFAOYSA-N 0 2 314.385 3.753 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2ccc(N(C)C)c(C)c2)sc1C ZINC000773370998 1033653839 /nfs/dbraw/zinc/65/38/39/1033653839.db2.gz SYIZMXGTECLRRQ-UHFFFAOYSA-N 0 2 324.471 3.540 20 0 DHADLN O=[N+]([O-])c1ccc(O)c(/C=N/Cc2cccc(C(F)(F)F)c2)c1 ZINC000022728210 1015709639 /nfs/dbraw/zinc/70/96/39/1015709639.db2.gz VXJXJMWGRLOXBI-DJKKODMXSA-N 0 2 324.258 3.938 20 0 DHADLN CC(C)COc1ccccc1C[NH2+][C@@H](C(=O)[O-])c1ccsc1 ZINC001591410121 992487369 /nfs/dbraw/zinc/48/73/69/992487369.db2.gz SAYIJTWPXFASFV-MRXNPFEDSA-N 0 2 319.426 3.698 20 0 DHADLN COc1ccc([NH2+][C@@H]2CCC[C@@H](CCCC(=O)[O-])C2)c(OC)c1 ZINC001599597394 993766438 /nfs/dbraw/zinc/76/64/38/993766438.db2.gz MBMJRVVXTHVUIL-UONOGXRCSA-N 0 2 321.417 3.929 20 0 DHADLN CC1(C)C[N@H+](Cc2cc(C(=O)[O-])ccc2F)[C@H]1c1ccncc1 ZINC001593942870 996973392 /nfs/dbraw/zinc/97/33/92/996973392.db2.gz SAAGKSBHROFJEW-INIZCTEOSA-N 0 2 314.360 3.502 20 0 DHADLN CC1(C)C[N@@H+](Cc2cc(C(=O)[O-])ccc2F)[C@H]1c1ccncc1 ZINC001593942870 996973402 /nfs/dbraw/zinc/97/34/02/996973402.db2.gz SAAGKSBHROFJEW-INIZCTEOSA-N 0 2 314.360 3.502 20 0 DHADLN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(F)C(F)(F)F ZINC000277325484 1016200727 /nfs/dbraw/zinc/20/07/27/1016200727.db2.gz CNSFJKRXZLQWBM-KWQFWETISA-N 0 2 311.706 3.630 20 0 DHADLN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@H](F)C(F)(F)F ZINC000277325484 1016200731 /nfs/dbraw/zinc/20/07/31/1016200731.db2.gz CNSFJKRXZLQWBM-KWQFWETISA-N 0 2 311.706 3.630 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@H]1c1ccccc1Cl ZINC000277387411 1016268286 /nfs/dbraw/zinc/26/82/86/1016268286.db2.gz KCJPUBKELPFGAG-QWRGUYRKSA-N 0 2 309.690 3.904 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CCC[C@H]1c1ccccc1Cl ZINC000277387411 1016268289 /nfs/dbraw/zinc/26/82/89/1016268289.db2.gz KCJPUBKELPFGAG-QWRGUYRKSA-N 0 2 309.690 3.904 20 0 DHADLN CCC(C)(C)N(C)C(=O)c1cc(Br)c(F)cc1O ZINC000294806627 1032162814 /nfs/dbraw/zinc/16/28/14/1032162814.db2.gz CHPJSLGTCSFYOJ-UHFFFAOYSA-N 0 2 318.186 3.554 20 0 DHADLN O=S(=O)(Nc1nc2ccccc2s1)c1ccccc1Cl ZINC000057724367 1032311113 /nfs/dbraw/zinc/31/11/13/1032311113.db2.gz DBSINWBMUSJKQK-UHFFFAOYSA-N 0 2 324.814 3.751 20 0 DHADLN CC(C)(CCC(=O)Nc1ccc2nn[nH]c2c1)c1ccccc1 ZINC000513937151 1012227738 /nfs/dbraw/zinc/22/77/38/1012227738.db2.gz CPFSHIACWMJZNT-UHFFFAOYSA-N 0 2 308.385 3.654 20 0 DHADLN C[C@H](CCCC(F)(F)F)NC(=O)c1c(O)cc(F)cc1F ZINC000683183660 1012276908 /nfs/dbraw/zinc/27/69/08/1012276908.db2.gz XWFWCHYSJFVXNK-SSDOTTSWSA-N 0 2 311.250 3.521 20 0 DHADLN O=C(CC1CCCCC1)N=c1nc(-c2ccccc2)[nH]s1 ZINC000515705357 1012701520 /nfs/dbraw/zinc/70/15/20/1012701520.db2.gz OUSJTEILGLTZEV-UHFFFAOYSA-N 0 2 301.415 3.536 20 0 DHADLN Cc1cc([C@H](NC(=O)C(F)C(F)(F)F)C2CC2)ccc1F ZINC000291205520 1012953820 /nfs/dbraw/zinc/95/38/20/1012953820.db2.gz FFYZBVDILFGTNG-NEPJUHHUSA-N 0 2 307.262 3.602 20 0 DHADLN Cc1cc([C@H](NC(=O)[C@H](F)C(F)(F)F)C2CC2)ccc1F ZINC000291205520 1012953837 /nfs/dbraw/zinc/95/38/37/1012953837.db2.gz FFYZBVDILFGTNG-NEPJUHHUSA-N 0 2 307.262 3.602 20 0 DHADLN O=C(NCC1(c2ccccc2)CCCC1)C(F)C(F)(F)F ZINC000764009369 1017708734 /nfs/dbraw/zinc/70/87/34/1017708734.db2.gz JNEMELFNBQTENX-LBPRGKRZSA-N 0 2 303.299 3.515 20 0 DHADLN O=C(NCC1(c2ccccc2)CCCC1)[C@H](F)C(F)(F)F ZINC000764009369 1017708748 /nfs/dbraw/zinc/70/87/48/1017708748.db2.gz JNEMELFNBQTENX-LBPRGKRZSA-N 0 2 303.299 3.515 20 0 DHADLN O=S(=O)(Nc1nccc2sccc21)c1cccc(Cl)c1 ZINC000182022272 1017850752 /nfs/dbraw/zinc/85/07/52/1017850752.db2.gz CZCGRRUCEFGYNZ-UHFFFAOYSA-N 0 2 324.814 3.751 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2ccc3ncsc3c2)c(F)c1 ZINC000171750484 1017981009 /nfs/dbraw/zinc/98/10/09/1017981009.db2.gz GDDBBMCYDHAVPG-UHFFFAOYSA-N 0 2 322.386 3.545 20 0 DHADLN O=C(CSC1CCC(F)(F)CC1)NOCc1ccccc1 ZINC000901734668 1017999555 /nfs/dbraw/zinc/99/95/55/1017999555.db2.gz VFPNKZWHFPFLOA-UHFFFAOYSA-N 0 2 315.385 3.546 20 0 DHADLN CC(=O)c1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)o1 ZINC000446289273 1018107878 /nfs/dbraw/zinc/10/78/78/1018107878.db2.gz UZEQTILTFKYSCR-UHFFFAOYSA-N 0 2 314.124 3.747 20 0 DHADLN CC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2O)o1 ZINC000446298183 1018110093 /nfs/dbraw/zinc/11/00/93/1018110093.db2.gz MDRDURSXAVTDGQ-UHFFFAOYSA-N 0 2 314.124 3.747 20 0 DHADLN Cc1c(NS(=O)(=O)c2ccc(C3CC3)cc2)[nH]nc1C(C)C ZINC000647278612 1018149972 /nfs/dbraw/zinc/14/99/72/1018149972.db2.gz QBKAHFUEAAFZLW-UHFFFAOYSA-N 0 2 319.430 3.520 20 0 DHADLN O=C([O-])c1cccc(C[N@@H+]2CCc3sccc3C2)c1Cl ZINC000381612846 1018267974 /nfs/dbraw/zinc/26/79/74/1018267974.db2.gz JCMPQAKKHOJBNM-UHFFFAOYSA-N 0 2 307.802 3.658 20 0 DHADLN O=C([O-])c1cccc(C[N@H+]2CCc3sccc3C2)c1Cl ZINC000381612846 1018267988 /nfs/dbraw/zinc/26/79/88/1018267988.db2.gz JCMPQAKKHOJBNM-UHFFFAOYSA-N 0 2 307.802 3.658 20 0 DHADLN O=C(c1cccc(Cl)c1O)N1CCC=C(c2ccco2)C1 ZINC000804184411 1018793285 /nfs/dbraw/zinc/79/32/85/1018793285.db2.gz BBHVBIJOKLYFBV-UHFFFAOYSA-N 0 2 303.745 3.568 20 0 DHADLN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)C(F)C(F)(F)F ZINC000278549944 1018808649 /nfs/dbraw/zinc/80/86/49/1018808649.db2.gz GNXGQMHJUJURAN-AAXDQBDMSA-N 0 2 303.299 3.680 20 0 DHADLN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)[C@H](F)C(F)(F)F ZINC000278549944 1018808668 /nfs/dbraw/zinc/80/86/68/1018808668.db2.gz GNXGQMHJUJURAN-AAXDQBDMSA-N 0 2 303.299 3.680 20 0 DHADLN CC(C)CCc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000060948709 1019730397 /nfs/dbraw/zinc/73/03/97/1019730397.db2.gz DJFKBBPPDZGRCE-UHFFFAOYSA-N 0 2 310.444 3.533 20 0 DHADLN COc1ccc2cc(CN(C)c3[nH+]cccc3C(=O)[O-])ccc2c1 ZINC000013181684 1020046013 /nfs/dbraw/zinc/04/60/13/1020046013.db2.gz UFEGAUHYMNEPSY-UHFFFAOYSA-N 0 2 322.364 3.578 20 0 DHADLN C[C@H]1c2ccccc2OCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000585750640 1020081169 /nfs/dbraw/zinc/08/11/69/1020081169.db2.gz OLWNIBBITGYOHS-INIZCTEOSA-N 0 2 319.408 3.828 20 0 DHADLN COc1ccc(Cl)c(S(=O)(=O)Nc2cscc2C)c1 ZINC000161626694 1020743792 /nfs/dbraw/zinc/74/37/92/1020743792.db2.gz IPIJDYQLWPXKQJ-UHFFFAOYSA-N 0 2 317.819 3.519 20 0 DHADLN CC(=O)[C@@H]1CCCCN1Cc1cc(Cl)c(O)c(Cl)c1 ZINC001140833593 1021104006 /nfs/dbraw/zinc/10/40/06/1021104006.db2.gz YGAWFFNPZQBTEE-ZDUSSCGKSA-N 0 2 302.201 3.643 20 0 DHADLN Cc1cc(C)c(C)c(S(=O)(=O)Nc2cnoc2C2CC2)c1C ZINC000414383193 1021162025 /nfs/dbraw/zinc/16/20/25/1021162025.db2.gz MSLMTMKZXBZCKH-UHFFFAOYSA-N 0 2 320.414 3.586 20 0 DHADLN CCN(CC)c1ccc(NS(=O)(=O)c2sccc2C)cc1 ZINC000743047080 1021210551 /nfs/dbraw/zinc/21/05/51/1021210551.db2.gz XATBFZOEGKBNNC-UHFFFAOYSA-N 0 2 324.471 3.704 20 0 DHADLN CCC1=NN(c2ccc(-c3ccc(Cl)s3)nn2)C(=O)[C@@H]1C ZINC000634614784 1021605686 /nfs/dbraw/zinc/60/56/86/1021605686.db2.gz NWUNRWNWENAQLP-MRVPVSSYSA-N 0 2 320.805 3.607 20 0 DHADLN Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H]4CCC[C@@H]43)c[nH]c12 ZINC000164121422 1022171574 /nfs/dbraw/zinc/17/15/74/1022171574.db2.gz SRABCIWMDKDVAY-BBRMVZONSA-N 0 2 310.397 3.654 20 0 DHADLN CCc1ocnc1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000354400889 1022290708 /nfs/dbraw/zinc/29/07/08/1022290708.db2.gz GDSVWHDRLWLEKK-UHFFFAOYSA-N 0 2 301.129 3.502 20 0 DHADLN O=C(/C=C/c1cccnc1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000155548200 1022404979 /nfs/dbraw/zinc/40/49/79/1022404979.db2.gz LHXIYIPSQISNJX-ONEGZZNKSA-N 0 2 309.152 3.746 20 0 DHADLN CC1(C)CN(C(=O)c2c(O)cc(F)cc2F)[C@@H]1c1ccccc1 ZINC000620975816 1022487867 /nfs/dbraw/zinc/48/78/67/1022487867.db2.gz OYUGPHWCRVEGJB-MRXNPFEDSA-N 0 2 317.335 3.894 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)C1CCSCC1 ZINC000274176093 1022557917 /nfs/dbraw/zinc/55/79/17/1022557917.db2.gz CAQQGYOGKGWZBM-UHFFFAOYSA-N 0 2 306.214 3.781 20 0 DHADLN C[C@H](NC(=O)C(F)(F)F)[C@@H](C)c1ccccc1C(F)(F)F ZINC000767123388 1022649694 /nfs/dbraw/zinc/64/96/94/1022649694.db2.gz OVWBQUUBJNJMKV-SFYZADRCSA-N 0 2 313.241 3.876 20 0 DHADLN Cc1ccc(CC2CN(C(=O)c3cccc(Cl)c3O)C2)cc1 ZINC000855864524 1022714598 /nfs/dbraw/zinc/71/45/98/1022714598.db2.gz PCRILDAACHESNR-UHFFFAOYSA-N 0 2 315.800 3.669 20 0 DHADLN C[C@H]1CC(C(=O)NNc2nc(C(F)(F)F)cs2)C[C@H](C)C1 ZINC000184169809 1022755259 /nfs/dbraw/zinc/75/52/59/1022755259.db2.gz DSOAWTWCENLBGG-HTQZYQBOSA-N 0 2 321.368 3.677 20 0 DHADLN C[C@H]1CC(C(=O)NN=c2[nH]c(C(F)(F)F)cs2)C[C@H](C)C1 ZINC000184169809 1022755272 /nfs/dbraw/zinc/75/52/72/1022755272.db2.gz DSOAWTWCENLBGG-HTQZYQBOSA-N 0 2 321.368 3.677 20 0 DHADLN O=C(Nc1ccc(O)cc1F)c1cccc(C(F)(F)F)c1O ZINC000857482048 1023018877 /nfs/dbraw/zinc/01/88/77/1023018877.db2.gz KJFCAIXPVYRPCT-UHFFFAOYSA-N 0 2 315.222 3.508 20 0 DHADLN CCCC(=CC(=O)N1CCC(c2n[nH]c(=S)o2)CC1)CCC ZINC000367441589 1023019316 /nfs/dbraw/zinc/01/93/16/1023019316.db2.gz XPXTWFHOJVEKJU-UHFFFAOYSA-N 0 2 323.462 3.591 20 0 DHADLN Cc1cc(Nc2ccc(Cn3cc[nH+]c3)cc2)ccc1C(=O)[O-] ZINC001211657152 1023102334 /nfs/dbraw/zinc/10/23/34/1023102334.db2.gz CRKSUVGOCHJTPB-UHFFFAOYSA-N 0 2 307.353 3.682 20 0 DHADLN O=C(COC1CCCCC1)Nc1cc(Cl)cc(Cl)c1O ZINC000770452408 1023312892 /nfs/dbraw/zinc/31/28/92/1023312892.db2.gz OBXBACDFCYGTOI-UHFFFAOYSA-N 0 2 318.200 3.987 20 0 DHADLN O=S(=O)(Nc1ccc(F)c(F)c1)c1cccc(Cl)c1F ZINC000048652851 1023800814 /nfs/dbraw/zinc/80/08/14/1023800814.db2.gz RLTXLZUZNUJEIZ-UHFFFAOYSA-N 0 2 321.707 3.558 20 0 DHADLN O=C(NCC1(c2ccc(Cl)cc2)CCC1)C(F)C(F)(F)F ZINC000788301289 1023868578 /nfs/dbraw/zinc/86/85/78/1023868578.db2.gz PTPOGLMKUIEKST-NSHDSACASA-N 0 2 323.717 3.778 20 0 DHADLN O=C(NCC1(c2ccc(Cl)cc2)CCC1)[C@H](F)C(F)(F)F ZINC000788301289 1023868582 /nfs/dbraw/zinc/86/85/82/1023868582.db2.gz PTPOGLMKUIEKST-NSHDSACASA-N 0 2 323.717 3.778 20 0 DHADLN CCCN(CCc1cccc(F)c1)C(=O)C(F)C(F)(F)F ZINC000788300963 1023868769 /nfs/dbraw/zinc/86/87/69/1023868769.db2.gz ZPTFYZQRTGRDTP-LBPRGKRZSA-N 0 2 309.278 3.507 20 0 DHADLN CCCN(CCc1cccc(F)c1)C(=O)[C@H](F)C(F)(F)F ZINC000788300963 1023868772 /nfs/dbraw/zinc/86/87/72/1023868772.db2.gz ZPTFYZQRTGRDTP-LBPRGKRZSA-N 0 2 309.278 3.507 20 0 DHADLN Cc1ccc(-c2nc(C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-])cs2)o1 ZINC000652484723 1023893920 /nfs/dbraw/zinc/89/39/20/1023893920.db2.gz NKGPWCPWVXOMPK-ZDUSSCGKSA-N 0 2 322.430 3.643 20 0 DHADLN Cc1ccc(-c2nc(C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])cs2)o1 ZINC000652484723 1023893929 /nfs/dbraw/zinc/89/39/29/1023893929.db2.gz NKGPWCPWVXOMPK-ZDUSSCGKSA-N 0 2 322.430 3.643 20 0 DHADLN O=C(N[C@H](c1cccc(Cl)c1)C(F)F)C(F)C(F)(F)F ZINC000882728595 1024112197 /nfs/dbraw/zinc/11/21/97/1024112197.db2.gz CFEBRUDEMOQESS-SFYZADRCSA-N 0 2 319.632 3.663 20 0 DHADLN Cc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1O ZINC000130162563 1024136609 /nfs/dbraw/zinc/13/66/09/1024136609.db2.gz IRQLPJDHTVSXLI-UHFFFAOYSA-N 0 2 312.152 3.965 20 0 DHADLN CCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000268714861 1024146059 /nfs/dbraw/zinc/14/60/59/1024146059.db2.gz LWHNIWINMCGIIR-HUUCEWRRSA-N 0 2 309.417 3.501 20 0 DHADLN Fc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268756411 1024152861 /nfs/dbraw/zinc/15/28/61/1024152861.db2.gz JQLRXQBVCJCBDG-HXUWFJFHSA-N 0 2 321.399 3.848 20 0 DHADLN N#Cc1ccccc1NS(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000215224294 1024226499 /nfs/dbraw/zinc/22/64/99/1024226499.db2.gz AEYQHTBRTFAYBN-KTKRTIGZSA-N 0 2 318.785 3.624 20 0 DHADLN CC(C)N(Cc1ccco1)C(=O)c1cc(F)cc(Cl)c1O ZINC000271136694 1024460285 /nfs/dbraw/zinc/46/02/85/1024460285.db2.gz ODFVMEWTYPBURR-UHFFFAOYSA-N 0 2 311.740 3.829 20 0 DHADLN CCO[C@H](CNC(=O)c1cccc(Cl)c1O)c1ccccc1 ZINC000772770774 1024462383 /nfs/dbraw/zinc/46/23/83/1024462383.db2.gz DECKCQRWFNNANE-OAHLLOKOSA-N 0 2 319.788 3.553 20 0 DHADLN CCO[C@@H](CNC(=O)c1cccc(Cl)c1O)c1ccccc1 ZINC000772770773 1024462559 /nfs/dbraw/zinc/46/25/59/1024462559.db2.gz DECKCQRWFNNANE-HNNXBMFYSA-N 0 2 319.788 3.553 20 0 DHADLN CCCCSCC(=O)NOCc1ccc(C(F)(F)F)cc1 ZINC000747159165 1025190439 /nfs/dbraw/zinc/19/04/39/1025190439.db2.gz UQCREEKSQAUWDF-UHFFFAOYSA-N 0 2 321.364 3.787 20 0 DHADLN O=C(NOC/C=C/Cl)C1(c2cccc(F)c2)CCCCC1 ZINC000794289793 1025249617 /nfs/dbraw/zinc/24/96/17/1025249617.db2.gz HHQJIACLTIJXPB-BJMVGYQFSA-N 0 2 311.784 3.828 20 0 DHADLN CC(=O)c1ccc(C(=O)Nc2cc(F)cc(Cl)c2O)cc1 ZINC000353888513 1025282931 /nfs/dbraw/zinc/28/29/31/1025282931.db2.gz LGPSMXVZPVJNBO-UHFFFAOYSA-N 0 2 307.708 3.640 20 0 DHADLN O=C(c1cccc(Cl)c1O)N1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000885222717 1025284286 /nfs/dbraw/zinc/28/42/86/1025284286.db2.gz JXBGMOREULAEGY-IUODEOHRSA-N 0 2 305.805 3.696 20 0 DHADLN Cc1cccc([C@H]([NH2+]Cc2ccsc2Cl)C(=O)[O-])c1C ZINC000426735138 1025525298 /nfs/dbraw/zinc/52/52/98/1025525298.db2.gz RYGDHKPIVSMUOW-ZDUSSCGKSA-N 0 2 309.818 3.934 20 0 DHADLN Cc1cc2cc(NS(=O)(=O)c3cccc(C)c3F)ccc2[nH]1 ZINC000513450582 1026512048 /nfs/dbraw/zinc/51/20/48/1026512048.db2.gz BNAQFNANXHLZAN-UHFFFAOYSA-N 0 2 318.373 3.725 20 0 DHADLN C[C@H]1C(=O)CC[C@H]1CC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000280109382 1026594727 /nfs/dbraw/zinc/59/47/27/1026594727.db2.gz ASIWAFYNLFBDFI-SFYZADRCSA-N 0 2 316.184 3.643 20 0 DHADLN CCOC(=O)c1cnc(-c2cc(F)c(O)c(Cl)c2)c(C)c1 ZINC001244501208 1026668564 /nfs/dbraw/zinc/66/85/64/1026668564.db2.gz SEKOPWHQWAXOFD-UHFFFAOYSA-N 0 2 309.724 3.732 20 0 DHADLN Cc1c2ccccc2oc1[C@H](C)NC(=O)C(F)C(F)(F)F ZINC000810163163 1026697898 /nfs/dbraw/zinc/69/78/98/1026697898.db2.gz KXDPLDLAVJXIBX-UFBFGSQYSA-N 0 2 303.255 3.819 20 0 DHADLN Cc1c2ccccc2oc1[C@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC000810163163 1026697900 /nfs/dbraw/zinc/69/79/00/1026697900.db2.gz KXDPLDLAVJXIBX-UFBFGSQYSA-N 0 2 303.255 3.819 20 0 DHADLN COCC1(c2noc(-c3cccc(Cl)c3O)n2)CCCCC1 ZINC000810326517 1026742670 /nfs/dbraw/zinc/74/26/70/1026742670.db2.gz UBHZYWKTPYDBSE-UHFFFAOYSA-N 0 2 322.792 3.944 20 0 DHADLN Cc1cccc(CN(CC(C)C)C(=O)C(F)C(F)(F)F)c1 ZINC000810423058 1026757971 /nfs/dbraw/zinc/75/79/71/1026757971.db2.gz KHGVKKPWCADGKG-CYBMUJFWSA-N 0 2 305.315 3.880 20 0 DHADLN Cc1cccc(CN(CC(C)C)C(=O)[C@@H](F)C(F)(F)F)c1 ZINC000810423058 1026757979 /nfs/dbraw/zinc/75/79/79/1026757979.db2.gz KHGVKKPWCADGKG-CYBMUJFWSA-N 0 2 305.315 3.880 20 0 DHADLN C[C@H](NC(=O)C(F)C(F)(F)F)C1(c2ccccc2)CCCC1 ZINC000811186629 1026951075 /nfs/dbraw/zinc/95/10/75/1026951075.db2.gz RVKDXXCMAIMLIS-WCQYABFASA-N 0 2 317.326 3.904 20 0 DHADLN C[C@H](NC(=O)[C@@H](F)C(F)(F)F)C1(c2ccccc2)CCCC1 ZINC000811186629 1026951077 /nfs/dbraw/zinc/95/10/77/1026951077.db2.gz RVKDXXCMAIMLIS-WCQYABFASA-N 0 2 317.326 3.904 20 0 DHADLN CC(C)c1ccc2c(c1)[C@@H](NC(=O)C(F)C(F)(F)F)CC2 ZINC000811230614 1026958427 /nfs/dbraw/zinc/95/84/27/1026958427.db2.gz QHWNYWPCUKCCRU-STQMWFEESA-N 0 2 303.299 3.814 20 0 DHADLN CC(C)c1ccc2c(c1)[C@@H](NC(=O)[C@H](F)C(F)(F)F)CC2 ZINC000811230614 1026958437 /nfs/dbraw/zinc/95/84/37/1026958437.db2.gz QHWNYWPCUKCCRU-STQMWFEESA-N 0 2 303.299 3.814 20 0 DHADLN O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)C(F)C(F)(F)F ZINC000295647212 1027372989 /nfs/dbraw/zinc/37/29/89/1027372989.db2.gz GDQXPNIVPCIILU-YNEHKIRRSA-N 0 2 303.299 3.587 20 0 DHADLN O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)[C@@H](F)C(F)(F)F ZINC000295647212 1027373010 /nfs/dbraw/zinc/37/30/10/1027373010.db2.gz GDQXPNIVPCIILU-YNEHKIRRSA-N 0 2 303.299 3.587 20 0 DHADLN Fc1ccc(CC[NH2+][C@@H](c2ncn[nH]2)C2CCCCC2)c(F)c1 ZINC000562365398 1027390294 /nfs/dbraw/zinc/39/02/94/1027390294.db2.gz KBTHYDJAYYKGEJ-MRXNPFEDSA-N 0 2 320.387 3.537 20 0 DHADLN O=C(CSCc1ccc(Cl)cc1Cl)NOC1CCC1 ZINC000812791070 1027407261 /nfs/dbraw/zinc/40/72/61/1027407261.db2.gz ODZJXJNTCNDHMR-UHFFFAOYSA-N 0 2 320.241 3.827 20 0 DHADLN C[C@H]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C[C@@H]1C(=O)[O-] ZINC000575748309 1027495221 /nfs/dbraw/zinc/49/52/21/1027495221.db2.gz BLUQVDMWSFEIKK-ONGXEEELSA-N 0 2 322.767 3.574 20 0 DHADLN C[C@@H]1CCN(c2cc[nH+]c3cc(F)c(Cl)cc32)C[C@@H]1C(=O)[O-] ZINC000575748306 1027496722 /nfs/dbraw/zinc/49/67/22/1027496722.db2.gz BLUQVDMWSFEIKK-KOLCDFICSA-N 0 2 322.767 3.574 20 0 DHADLN CC(Cl)(Cl)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000159233300 1027767021 /nfs/dbraw/zinc/76/70/21/1027767021.db2.gz ZWCYOINFFIVDLG-UHFFFAOYSA-N 0 2 302.972 3.831 20 0 DHADLN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)C(F)C(F)(F)F)c1 ZINC000365634741 1027989589 /nfs/dbraw/zinc/98/95/89/1027989589.db2.gz MGZQPYIUYHOMFP-XDTLVQLUSA-N 0 2 319.298 3.505 20 0 DHADLN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)[C@H](F)C(F)(F)F)c1 ZINC000365634741 1027989598 /nfs/dbraw/zinc/98/95/98/1027989598.db2.gz MGZQPYIUYHOMFP-XDTLVQLUSA-N 0 2 319.298 3.505 20 0 DHADLN Cc1ccc([C@H](C)C[NH2+][C@H](c2cn[nH]n2)c2ccc(F)cc2)cc1 ZINC000578431323 1028150247 /nfs/dbraw/zinc/15/02/47/1028150247.db2.gz DSANMTOGWIOOGY-KUHUBIRLSA-N 0 2 324.403 3.735 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2ncsc2C(C)C)ccc1F ZINC000564063625 1028293969 /nfs/dbraw/zinc/29/39/69/1028293969.db2.gz QIHSIYAPENTACJ-UHFFFAOYSA-N 0 2 314.407 3.515 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@H]1CCc1ccccc1 ZINC000368090244 1028295566 /nfs/dbraw/zinc/29/55/66/1028295566.db2.gz QPXDLWFUERZLOP-STQMWFEESA-N 0 2 303.299 3.511 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CCC[C@H]1CCc1ccccc1 ZINC000368090244 1028295580 /nfs/dbraw/zinc/29/55/80/1028295580.db2.gz QPXDLWFUERZLOP-STQMWFEESA-N 0 2 303.299 3.511 20 0 DHADLN O=C(C(F)C(F)(F)F)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000815134356 1028393819 /nfs/dbraw/zinc/39/38/19/1028393819.db2.gz UUSOXGURNZCYLJ-STQMWFEESA-N 0 2 301.283 3.565 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000815134356 1028393841 /nfs/dbraw/zinc/39/38/41/1028393841.db2.gz UUSOXGURNZCYLJ-STQMWFEESA-N 0 2 301.283 3.565 20 0 DHADLN Cc1oc(C[N@@H+](C)[C@H](C)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000565101818 1028538313 /nfs/dbraw/zinc/53/83/13/1028538313.db2.gz YEMQROQFBQIMQL-SECBINFHSA-N 0 2 309.312 3.757 20 0 DHADLN Cc1oc(C[N@H+](C)[C@H](C)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000565101818 1028538322 /nfs/dbraw/zinc/53/83/22/1028538322.db2.gz YEMQROQFBQIMQL-SECBINFHSA-N 0 2 309.312 3.757 20 0 DHADLN Cc1oc(C[N@@H+](C)[C@@H](C)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000565101819 1028539890 /nfs/dbraw/zinc/53/98/90/1028539890.db2.gz YEMQROQFBQIMQL-VIFPVBQESA-N 0 2 309.312 3.757 20 0 DHADLN Cc1oc(C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000565101819 1028539893 /nfs/dbraw/zinc/53/98/93/1028539893.db2.gz YEMQROQFBQIMQL-VIFPVBQESA-N 0 2 309.312 3.757 20 0 DHADLN CCCN(C(=O)C(F)C(F)(F)F)[C@@H]1CCCc2cccnc21 ZINC000816175033 1028751835 /nfs/dbraw/zinc/75/18/35/1028751835.db2.gz CLRUXTIJAJKTAN-YPMHNXCESA-N 0 2 318.314 3.598 20 0 DHADLN CCCN(C(=O)[C@H](F)C(F)(F)F)[C@@H]1CCCc2cccnc21 ZINC000816175033 1028751853 /nfs/dbraw/zinc/75/18/53/1028751853.db2.gz CLRUXTIJAJKTAN-YPMHNXCESA-N 0 2 318.314 3.598 20 0 DHADLN Cc1cc(C(F)(F)F)c(-c2cc(Cl)c(O)cc2F)nn1 ZINC001245669953 1028979867 /nfs/dbraw/zinc/97/98/67/1028979867.db2.gz LIXJEHJJOSQCLL-UHFFFAOYSA-N 0 2 306.646 3.969 20 0 DHADLN C[C@@H](SCC(=O)NOCc1ccccc1)c1cccs1 ZINC000077959877 1029191619 /nfs/dbraw/zinc/19/16/19/1029191619.db2.gz USRVWQCEFVOSKS-GFCCVEGCSA-N 0 2 307.440 3.790 20 0 DHADLN CC(C)c1cnc(NS(=O)(=O)c2sccc2Cl)s1 ZINC000450965195 1029751648 /nfs/dbraw/zinc/75/16/48/1029751648.db2.gz FFCYCELHTJYOSW-UHFFFAOYSA-N 0 2 322.864 3.782 20 0 DHADLN CC(C)c1nsc(NC[C@@H]2SCCc3ccccc32)n1 ZINC000530931179 1030092461 /nfs/dbraw/zinc/09/24/61/1030092461.db2.gz WRFURGGUTQVTPW-ZDUSSCGKSA-N 0 2 305.472 3.526 20 0 DHADLN C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)C(F)C(F)(F)F)C1 ZINC000290986764 1030271967 /nfs/dbraw/zinc/27/19/67/1030271967.db2.gz UPYHGNUQEHEGIH-KGYLQXTDSA-N 0 2 303.299 3.887 20 0 DHADLN C[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000290986764 1030271991 /nfs/dbraw/zinc/27/19/91/1030271991.db2.gz UPYHGNUQEHEGIH-KGYLQXTDSA-N 0 2 303.299 3.887 20 0 DHADLN C[C@H]1CN(Cc2nc(=O)c3sccc3[nH]2)[C@H]1c1ccccc1 ZINC000253547951 1030973892 /nfs/dbraw/zinc/97/38/92/1030973892.db2.gz BODOSUSJPYXJIU-XHDPSFHLSA-N 0 2 311.410 3.590 20 0 DHADLN C[C@H]1C[C@@H](C(=O)[O-])CN(c2cc[nH+]c3cc(F)c(Cl)cc32)C1 ZINC000263289837 1031184848 /nfs/dbraw/zinc/18/48/48/1031184848.db2.gz YOXACDKSLYEPPN-VHSXEESVSA-N 0 2 322.767 3.574 20 0 DHADLN Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)c3cccc(Cl)c3F)C2)[nH]1 ZINC000359914704 1031194039 /nfs/dbraw/zinc/19/40/39/1031194039.db2.gz ZGISBDCPRGVAII-ZYHUDNBSSA-N 0 2 322.815 3.846 20 0 DHADLN Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)c3cccc(Cl)c3F)C2)[nH]1 ZINC000359914704 1031194051 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Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(C2CCC2)cn1 ZINC000556265292 1021643712 /nfs/dbraw/zinc/64/37/12/1021643712.db2.gz LMCMGDTWRCJNGF-UHFFFAOYSA-N 0 2 320.389 3.597 20 0 DHADLN CC[C@@](C)(NS(=O)(=O)/C=C\c1ccc(C)cc1)C(F)(F)F ZINC000746401373 1022064473 /nfs/dbraw/zinc/06/44/73/1022064473.db2.gz YAISEVDEINRNMI-ASCRHOAZSA-N 0 2 321.364 3.616 20 0 DHADLN Cc1ccc([C@@H]2CCCCN2C(=O)C(F)C(F)(F)F)cc1 ZINC000278822582 1022071251 /nfs/dbraw/zinc/07/12/51/1022071251.db2.gz JAAZQPKWBZYABV-QWHCGFSZSA-N 0 2 303.299 3.949 20 0 DHADLN Cc1ccc([C@@H]2CCCCN2C(=O)[C@@H](F)C(F)(F)F)cc1 ZINC000278822582 1022071278 /nfs/dbraw/zinc/07/12/78/1022071278.db2.gz JAAZQPKWBZYABV-QWHCGFSZSA-N 0 2 303.299 3.949 20 0 DHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCC[C@@H](C2CCC2)C1 ZINC000620206823 1022083767 /nfs/dbraw/zinc/08/37/67/1022083767.db2.gz RTOOKZFMUXLLAK-LLVKDONJSA-N 0 2 311.784 3.837 20 0 DHADLN Cc1ccc2c(c1)CCCN2C(=O)c1cc(F)c(O)c(F)c1 ZINC000183347946 1022115923 /nfs/dbraw/zinc/11/59/23/1022115923.db2.gz 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C[C@H]1CC(CCNc2nc(-c3ccccc3)ns2)C[C@H](C)O1 ZINC000558792561 1030807413 /nfs/dbraw/zinc/80/74/13/1030807413.db2.gz WIQKMXCFCXBPIO-STQMWFEESA-N 0 2 317.458 3.633 20 0 DHADLN Cc1csc(C(C#N)C(=O)CSCc2cccs2)n1 ZINC000041519325 1030867304 /nfs/dbraw/zinc/86/73/04/1030867304.db2.gz IXSMDBHFZMUTMV-NSHDSACASA-N 0 2 308.453 3.623 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000844102342 1030960626 /nfs/dbraw/zinc/96/06/26/1030960626.db2.gz BEZFHFRQGHZFHR-QWHCGFSZSA-N 0 2 313.294 3.807 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC000844102342 1030960657 /nfs/dbraw/zinc/96/06/57/1030960657.db2.gz BEZFHFRQGHZFHR-QWHCGFSZSA-N 0 2 313.294 3.807 20 0 DHADLN C[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)[C@H]1CC2CCC1CC2 ZINC001144575773 1031724303 /nfs/dbraw/zinc/72/43/03/1031724303.db2.gz SIYDPGAVKYXSGP-ZUYNKMSQSA-N 0 2 309.356 3.615 20 0 DHADLN CC[C@@H](Nc1ccc2nc(C(=O)OC)[nH]c2n1)c1ccccc1C ZINC001171201103 1031749543 /nfs/dbraw/zinc/74/95/43/1031749543.db2.gz 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1036196580 /nfs/dbraw/zinc/19/65/80/1036196580.db2.gz KRCABLDRERQNAB-UHFFFAOYSA-N 0 2 324.424 3.840 20 0 DHADLN CCN(CCc1ccccc1)C(=O)c1cccc(Cl)c1O ZINC000775657027 1036260484 /nfs/dbraw/zinc/26/04/84/1036260484.db2.gz UNRPQHAXGBPCTF-UHFFFAOYSA-N 0 2 303.789 3.750 20 0 DHADLN O=C(Nc1ccc2ncsc2c1)c1cccc(Cl)c1O ZINC000775659227 1036263773 /nfs/dbraw/zinc/26/37/73/1036263773.db2.gz GQKNBBXGPRCRSG-UHFFFAOYSA-N 0 2 304.758 3.908 20 0 DHADLN O=C(Nc1cccc(-c2cnco2)c1)c1cccc(Cl)c1O ZINC000775665777 1036288866 /nfs/dbraw/zinc/28/88/66/1036288866.db2.gz YVLDDCYWQKQEPY-UHFFFAOYSA-N 0 2 314.728 3.953 20 0 DHADLN Cn1ccc2c1cccc2NC(=O)c1cccc(Cl)c1O ZINC000775695798 1036473031 /nfs/dbraw/zinc/47/30/31/1036473031.db2.gz CVQGMRIMGFTZQC-UHFFFAOYSA-N 0 2 300.745 3.790 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)N=NC3)c(F)c1 ZINC001196387086 1036518081 /nfs/dbraw/zinc/51/80/81/1036518081.db2.gz KELZNNOFCHLICV-UHFFFAOYSA-N 0 2 305.334 3.532 20 0 DHADLN O=C(Nc1cc2ccccc2cc1O)c1cc(Cl)ncc1O ZINC001196396124 1036521282 /nfs/dbraw/zinc/52/12/82/1036521282.db2.gz PGDDWZJGYDPHKP-UHFFFAOYSA-N 0 2 314.728 3.552 20 0 DHADLN COc1ccc([C@@H](C)N(C)C(=O)Cc2ccc(S)cc2)cc1 ZINC001183190344 1036536124 /nfs/dbraw/zinc/53/61/24/1036536124.db2.gz FHQWFHAQXBHADD-CYBMUJFWSA-N 0 2 315.438 3.746 20 0 DHADLN Cc1ccc2[nH]cc(CN(C)C(=O)Cc3ccc(S)cc3)c2c1 ZINC001183190095 1036537402 /nfs/dbraw/zinc/53/74/02/1036537402.db2.gz BRBRYRMYSLHUKN-UHFFFAOYSA-N 0 2 324.449 3.966 20 0 DHADLN O=C(Nc1cc(F)c(F)cc1F)c1cccc(Cl)c1O ZINC000775717642 1036542694 /nfs/dbraw/zinc/54/26/94/1036542694.db2.gz QVHBUAMAXSXFTK-UHFFFAOYSA-N 0 2 301.651 3.715 20 0 DHADLN O=C(Nc1nc2ccc(F)cc2o1)c1cc(Cl)c(F)cc1O ZINC001196455224 1036549132 /nfs/dbraw/zinc/54/91/32/1036549132.db2.gz YTPFRUBDNWWDPA-UHFFFAOYSA-N 0 2 324.670 3.717 20 0 DHADLN O=C(Nc1cccc(-c2cccs2)c1)C(CO)C(F)(F)F ZINC001183283511 1036567462 /nfs/dbraw/zinc/56/74/62/1036567462.db2.gz FSMDIZHVXGBSPN-NSHDSACASA-N 0 2 315.316 3.524 20 0 DHADLN O=C(Nc1cccc(-c2cccs2)c1)[C@H](CO)C(F)(F)F ZINC001183283511 1036567477 /nfs/dbraw/zinc/56/74/77/1036567477.db2.gz FSMDIZHVXGBSPN-NSHDSACASA-N 0 2 315.316 3.524 20 0 DHADLN C[C@H]1CC(C)(C)c2cccc(NC(=O)C(CO)C(F)(F)F)c21 ZINC001183286784 1036570958 /nfs/dbraw/zinc/57/09/58/1036570958.db2.gz ZPXINYJSFJADJZ-ONGXEEELSA-N 0 2 315.335 3.581 20 0 DHADLN C[C@H]1CC(C)(C)c2cccc(NC(=O)[C@H](CO)C(F)(F)F)c21 ZINC001183286784 1036570971 /nfs/dbraw/zinc/57/09/71/1036570971.db2.gz ZPXINYJSFJADJZ-ONGXEEELSA-N 0 2 315.335 3.581 20 0 DHADLN CC(C)(C)Sc1ccccc1NC(=O)C(CO)C(F)(F)F ZINC001183285918 1036571097 /nfs/dbraw/zinc/57/10/97/1036571097.db2.gz VBDYTAIXLFVVHK-VIFPVBQESA-N 0 2 321.364 3.687 20 0 DHADLN CC(C)(C)Sc1ccccc1NC(=O)[C@H](CO)C(F)(F)F ZINC001183285918 1036571113 /nfs/dbraw/zinc/57/11/13/1036571113.db2.gz VBDYTAIXLFVVHK-VIFPVBQESA-N 0 2 321.364 3.687 20 0 DHADLN C[C@@H]1CC(C)(C)c2cccc(NC(=O)C(CO)C(F)(F)F)c21 ZINC001183286782 1036572593 /nfs/dbraw/zinc/57/25/93/1036572593.db2.gz ZPXINYJSFJADJZ-KOLCDFICSA-N 0 2 315.335 3.581 20 0 DHADLN C[C@@H]1CC(C)(C)c2cccc(NC(=O)[C@H](CO)C(F)(F)F)c21 ZINC001183286782 1036572607 /nfs/dbraw/zinc/57/26/07/1036572607.db2.gz ZPXINYJSFJADJZ-KOLCDFICSA-N 0 2 315.335 3.581 20 0 DHADLN O=C(NC1(c2cccc(F)c2)CC1)c1cccc(Cl)c1O ZINC000775753744 1036663527 /nfs/dbraw/zinc/66/35/27/1036663527.db2.gz NZWDWIBDQQMQJH-UHFFFAOYSA-N 0 2 305.736 3.604 20 0 DHADLN Cc1ccccc1CC1CN(C(=O)c2cccc(Cl)c2O)C1 ZINC000775770908 1036765621 /nfs/dbraw/zinc/76/56/21/1036765621.db2.gz UIHZMRJSZRIJDS-UHFFFAOYSA-N 0 2 315.800 3.669 20 0 DHADLN CC[C@H](C)C(=O)C(=O)Nc1cc(Cl)c(C)c(Cl)c1O ZINC001184320942 1036811257 /nfs/dbraw/zinc/81/12/57/1036811257.db2.gz GXSAOUUKZYSBLW-LURJTMIESA-N 0 2 304.173 3.561 20 0 DHADLN O=C(N[C@H]1CCOC2(CCCCC2)C1)c1cccc(Cl)c1O ZINC000775781030 1036841195 /nfs/dbraw/zinc/84/11/95/1036841195.db2.gz XDLPENVBWBFBAZ-LBPRGKRZSA-N 0 2 323.820 3.657 20 0 DHADLN Cc1ccc(C(C)C)cc1NS(=O)(=O)c1cccnc1Cl ZINC001184875614 1036968956 /nfs/dbraw/zinc/96/89/56/1036968956.db2.gz WBNMZFHVVCXURL-UHFFFAOYSA-N 0 2 324.833 3.968 20 0 DHADLN CC[C@H](C)n1nc(NC(=O)c2cccc(Cl)c2O)cc1C ZINC000775952096 1037235307 /nfs/dbraw/zinc/23/53/07/1037235307.db2.gz RIBAHZZSNQYXLR-VIFPVBQESA-N 0 2 307.781 3.774 20 0 DHADLN Cc1c(F)cccc1S(=O)(=O)Nc1cccc2ccoc21 ZINC001185836547 1037245693 /nfs/dbraw/zinc/24/56/93/1037245693.db2.gz PPLCKEAXKIDJPZ-UHFFFAOYSA-N 0 2 305.330 3.681 20 0 DHADLN CCc1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001199700201 1037321157 /nfs/dbraw/zinc/32/11/57/1037321157.db2.gz DUDSPAHTZAGRBE-UHFFFAOYSA-N 0 2 309.388 3.864 20 0 DHADLN CC(C)(C)c1nsc(NC2CCC(C(F)(F)F)CC2)n1 ZINC000489323718 1037365060 /nfs/dbraw/zinc/36/50/60/1037365060.db2.gz CWVMMKQXUFLVOZ-UHFFFAOYSA-N 0 2 307.385 3.791 20 0 DHADLN CC(C)(C)c1nc(=NC2CCC(C(F)(F)F)CC2)s[nH]1 ZINC000489323718 1037365073 /nfs/dbraw/zinc/36/50/73/1037365073.db2.gz CWVMMKQXUFLVOZ-UHFFFAOYSA-N 0 2 307.385 3.791 20 0 DHADLN O=C(Nc1ccnc(Cl)c1O)N[C@H]1CCCc2ccccc21 ZINC001186424846 1037409070 /nfs/dbraw/zinc/40/90/70/1037409070.db2.gz OWLGUICVTDDHQS-LBPRGKRZSA-N 0 2 317.776 3.640 20 0 DHADLN C[C@@H]1C[C@@H](c2ccccc2)[N@H+](Cc2ncc(C[NH+](C)C)s2)C1 ZINC000348837392 1037537859 /nfs/dbraw/zinc/53/78/59/1037537859.db2.gz HQPFROHJTQFBHF-PBHICJAKSA-N 0 2 315.486 3.788 20 0 DHADLN CSc1ccc(NC(=O)Nc2ccnc(Cl)c2O)cc1 ZINC001188083918 1037808360 /nfs/dbraw/zinc/80/83/60/1037808360.db2.gz AGPTXRXNUIMKKK-UHFFFAOYSA-N 0 2 309.778 3.807 20 0 DHADLN CC(C)c1nnc(Nc2cncc(OCc3ccccc3)c2)o1 ZINC001201621146 1037818667 /nfs/dbraw/zinc/81/86/67/1037818667.db2.gz NSTAWCQEWGLAAT-UHFFFAOYSA-N 0 2 310.357 3.911 20 0 DHADLN O=C(Nc1nc(C(F)(F)F)cs1)c1cccc(Cl)c1O ZINC000776222909 1037923315 /nfs/dbraw/zinc/92/33/15/1037923315.db2.gz XCHSOEWWXHVEES-UHFFFAOYSA-N 0 2 322.695 3.773 20 0 DHADLN Cc1ccccc1C(C)(C)CNC(=O)c1c(O)cc(F)cc1F ZINC000586759769 1037957669 /nfs/dbraw/zinc/95/76/69/1037957669.db2.gz RJRVZOKHOYBJNH-UHFFFAOYSA-N 0 2 319.351 3.686 20 0 DHADLN Cc1ccccc1CS(=O)(=O)Nc1nc(C2CCC2)cs1 ZINC000571028957 1038057422 /nfs/dbraw/zinc/05/74/22/1038057422.db2.gz RQHMGQWBNYQOPD-UHFFFAOYSA-N 0 2 322.455 3.661 20 0 DHADLN Cc1ccccc1C(C)(C)NC(=O)c1ccc(F)c(F)c1O ZINC001192818043 1038703902 /nfs/dbraw/zinc/70/39/02/1038703902.db2.gz KJMMYLOUMPHBEH-UHFFFAOYSA-N 0 2 305.324 3.644 20 0 DHADLN Cc1cc(NS(=O)(=O)c2cnccc2Cl)ccc1C(C)C ZINC001192889551 1038712534 /nfs/dbraw/zinc/71/25/34/1038712534.db2.gz ALVGXPOEHBLZSB-UHFFFAOYSA-N 0 2 324.833 3.968 20 0 DHADLN O=C(c1c(O)cc(F)cc1F)N1CCc2c(Cl)cccc2C1 ZINC000606931734 1040049487 /nfs/dbraw/zinc/04/94/87/1040049487.db2.gz RUEWPEIJTWQAHN-UHFFFAOYSA-N 0 2 323.726 3.522 20 0 DHADLN Cc1ccc(C[C@H](C)NC(=O)c2c(O)cc(F)cc2F)c(C)c1 ZINC000595704669 1040223314 /nfs/dbraw/zinc/22/33/14/1040223314.db2.gz JYIYPAIITDMYAX-LBPRGKRZSA-N 0 2 319.351 3.648 20 0 DHADLN C[C@H](CNC(=O)c1c(O)cc(F)cc1F)Sc1ccccc1 ZINC000608474907 1040508514 /nfs/dbraw/zinc/50/85/14/1040508514.db2.gz VHAKCWGWIZIARO-SNVBAGLBSA-N 0 2 323.364 3.581 20 0 DHADLN Cc1cccc([C@H]([NH2+]Cc2ncc(C(C)C)s2)C(=O)[O-])c1C ZINC000417567541 334991117 /nfs/dbraw/zinc/99/11/17/334991117.db2.gz SKMVFUCMTANZLD-INIZCTEOSA-N 0 2 318.442 3.799 20 0 DHADLN CCCc1csc(C[NH2+][C@@H](C(=O)[O-])c2cccc(Cl)c2)n1 ZINC000417571647 334994235 /nfs/dbraw/zinc/99/42/35/334994235.db2.gz XLPSGPAHPOJVJK-CQSZACIVSA-N 0 2 324.833 3.665 20 0 DHADLN CCC[C@H]1CCCCN1C(=O)c1cc(F)c(F)c(O)c1F ZINC000273555305 130136463 /nfs/dbraw/zinc/13/64/63/130136463.db2.gz GSXMIQZWSNKWDF-VIFPVBQESA-N 0 2 301.308 3.604 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCC[C@@H]1c1ccsc1 ZINC000273927565 130188426 /nfs/dbraw/zinc/18/84/26/130188426.db2.gz HGTQOLABBWCDBT-CYBMUJFWSA-N 0 2 309.337 3.709 20 0 DHADLN O=C(NC(C1CCC1)C1CCC1)c1cc(F)c(F)c(O)c1F ZINC000286699510 131246449 /nfs/dbraw/zinc/24/64/49/131246449.db2.gz KAHMJWBYHOTGBH-UHFFFAOYSA-N 0 2 313.319 3.508 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2ncsc2C(C)C)cc1F ZINC000288164930 131314820 /nfs/dbraw/zinc/31/48/20/131314820.db2.gz HXCHJEDWEVGOJF-UHFFFAOYSA-N 0 2 314.407 3.515 20 0 DHADLN CC1(C)CN(C(=O)c2cc(F)c(O)c(F)c2)[C@H]1c1cccs1 ZINC000288586853 131331399 /nfs/dbraw/zinc/33/13/99/131331399.db2.gz LEGHLAABJOIOTF-AWEZNQCLSA-N 0 2 323.364 3.955 20 0 DHADLN Cc1noc(C)c1NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000299293898 132097046 /nfs/dbraw/zinc/09/70/46/132097046.db2.gz AGZIOLLLCYPZOK-UHFFFAOYSA-N 0 2 322.430 3.634 20 0 DHADLN Cc1n[nH]cc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000119970839 132138340 /nfs/dbraw/zinc/13/83/40/132138340.db2.gz PCQHDZYBTOERRP-UHFFFAOYSA-N 0 2 319.430 3.567 20 0 DHADLN Cc1ccoc1C[NH2+][C@]1(C(=O)[O-])C[C@H](C(C)C)c2ccccc21 ZINC000340685941 132153684 /nfs/dbraw/zinc/15/36/84/132153684.db2.gz BFNITSYKHNVKRO-DNVCBOLYSA-N 0 2 313.397 3.801 20 0 DHADLN Cc1ccc(C[NH2+][C@@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)o1 ZINC000340693048 132156738 /nfs/dbraw/zinc/15/67/38/132156738.db2.gz XGKZXCROOXHDTL-LPHOPBHVSA-N 0 2 313.397 3.801 20 0 DHADLN Cc1ccc(C[NH2+][C@]2(C(=O)[O-])C[C@@H](C(C)C)c3ccccc32)nc1 ZINC000340690311 132157946 /nfs/dbraw/zinc/15/79/46/132157946.db2.gz KXIORPVRPRZYPZ-FXAWDEMLSA-N 0 2 324.424 3.603 20 0 DHADLN Cc1cscc1NS(=O)(=O)c1cc(Cl)ccc1F ZINC000340725227 132167796 /nfs/dbraw/zinc/16/77/96/132167796.db2.gz IBAQQJYINWGSRI-UHFFFAOYSA-N 0 2 305.783 3.650 20 0 DHADLN C[C@@H](NC(=O)c1cc(F)c(F)c(O)c1F)[C@@H](C)c1ccccc1 ZINC000180114075 331561556 /nfs/dbraw/zinc/56/15/56/331561556.db2.gz JVXZXRFJCUASHM-NXEZZACHSA-N 0 2 323.314 3.732 20 0 DHADLN Cc1cccc(S(=O)(=O)Nc2ccccc2OC(C)C)c1F ZINC000313204739 331911187 /nfs/dbraw/zinc/91/11/87/331911187.db2.gz CUTNZQTVRNEBMY-UHFFFAOYSA-N 0 2 323.389 3.722 20 0 DHADLN Cc1cccc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c1F ZINC000313241851 331919738 /nfs/dbraw/zinc/91/97/38/331919738.db2.gz XRWPBXCUGNYAMS-UHFFFAOYSA-N 0 2 317.744 3.727 20 0 DHADLN Cc1cccc(S(=O)(=O)Nc2cccc(Cl)c2C)c1F ZINC000313245126 331920098 /nfs/dbraw/zinc/92/00/98/331920098.db2.gz LILHNWRXOVURFJ-UHFFFAOYSA-N 0 2 313.781 3.897 20 0 DHADLN O=C([O-])[C@H]([NH2+]Cc1cccc(Cl)c1Cl)c1cccs1 ZINC000426785692 332153352 /nfs/dbraw/zinc/15/33/52/332153352.db2.gz QXMPDCBGITUQDZ-GFCCVEGCSA-N 0 2 316.209 3.970 20 0 DHADLN CCc1cnc(NS(=O)(=O)c2cc(C)c(Cl)s2)s1 ZINC000191543995 332268648 /nfs/dbraw/zinc/26/86/48/332268648.db2.gz BKZAVDUVUYHFON-UHFFFAOYSA-N 0 2 322.864 3.530 20 0 DHADLN O=S(=O)(Nc1ccccc1NC1CCCCC1)c1ccoc1 ZINC000560448795 332340824 /nfs/dbraw/zinc/34/08/24/332340824.db2.gz RCFKMVRWLNACAH-UHFFFAOYSA-N 0 2 320.414 3.825 20 0 DHADLN Cc1cscc1NS(=O)(=O)c1cccc2cc(C)cnc21 ZINC000161610888 332760442 /nfs/dbraw/zinc/76/04/42/332760442.db2.gz BRLRDRFPAGGMOE-UHFFFAOYSA-N 0 2 318.423 3.714 20 0 DHADLN CCc1nc2cc(NC(=O)c3cc(F)c(O)c(F)c3)ccc2o1 ZINC000177084254 332970762 /nfs/dbraw/zinc/97/07/62/332970762.db2.gz RGAUFGXRMCMJER-UHFFFAOYSA-N 0 2 318.279 3.626 20 0 DHADLN C[C@@H](CNC(=O)c1cc(F)c(O)c(F)c1)Sc1ccccc1 ZINC000180083926 333027190 /nfs/dbraw/zinc/02/71/90/333027190.db2.gz XCJCJOWSJSYCAB-JTQLQIEISA-N 0 2 323.364 3.581 20 0 DHADLN Cc1ccc(C[C@@H](C)NC(=O)c2cc(F)c(O)c(F)c2)c(C)c1 ZINC000183591731 333059707 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333358769 /nfs/dbraw/zinc/35/87/69/333358769.db2.gz KEUQVLMSYXKPMF-UHFFFAOYSA-N 0 2 323.726 3.743 20 0 DHADLN CCN(C(=O)c1cc(F)c(O)c(Cl)c1)c1nc(C)cs1 ZINC000184450412 333359241 /nfs/dbraw/zinc/35/92/41/333359241.db2.gz FXSSISLYBFQBAM-UHFFFAOYSA-N 0 2 314.769 3.616 20 0 DHADLN COc1ccc(F)c(NC(=O)c2cc(F)c(O)c(Cl)c2)c1 ZINC000184490022 333360446 /nfs/dbraw/zinc/36/04/46/333360446.db2.gz QVRMQOYAIFOLTJ-UHFFFAOYSA-N 0 2 313.687 3.585 20 0 DHADLN O=C(Nc1ccc2nc(C(F)F)[nH]c2c1)c1c(O)cccc1F ZINC000185724052 333370826 /nfs/dbraw/zinc/37/08/26/333370826.db2.gz SFKKLAZQMNRZBJ-UHFFFAOYSA-N 0 2 321.258 3.598 20 0 DHADLN Cc1cccc([C@@H](C)CNC(=O)c2cc(F)c(O)c(F)c2)c1 ZINC000186830937 333379077 /nfs/dbraw/zinc/37/90/77/333379077.db2.gz YMVJWUDMLCZBME-NSHDSACASA-N 0 2 305.324 3.512 20 0 DHADLN CC(C)(CNC(=O)c1cc(F)c(O)c(F)c1)Cc1ccccc1 ZINC000186817278 333379400 /nfs/dbraw/zinc/37/94/00/333379400.db2.gz KYBUXKXXWMDADG-UHFFFAOYSA-N 0 2 319.351 3.669 20 0 DHADLN CCOc1cc(C)ccc1NS(=O)(=O)c1cc(C)cs1 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Cc1ccc2[nH+]c(/C=C\c3nc4c(cccc4C(=O)[O-])o3)cn2c1 ZINC000485972291 339717511 /nfs/dbraw/zinc/71/75/11/339717511.db2.gz DGUPZVXIWMELJR-VURMDHGXSA-N 0 2 319.320 3.653 20 0 DHADLN Cc1ccc2[nH+]c(/C=C\c3nc4ccc(C(=O)[O-])cc4o3)cn2c1 ZINC000486077003 339720222 /nfs/dbraw/zinc/72/02/22/339720222.db2.gz MINVDMTUFCCBDS-DAXSKMNVSA-N 0 2 319.320 3.653 20 0 DHADLN CCCc1nc(C)c(NS(=O)(=O)c2ccc(C)cc2C)s1 ZINC000486109223 339721458 /nfs/dbraw/zinc/72/14/58/339721458.db2.gz KAXRICQUAXYFMT-UHFFFAOYSA-N 0 2 324.471 3.822 20 0 DHADLN CCCc1nc(C)c(NS(=O)(=O)c2cccc(CC)c2)s1 ZINC000486130223 339721804 /nfs/dbraw/zinc/72/18/04/339721804.db2.gz ZOOMJNNWFCQYCD-UHFFFAOYSA-N 0 2 324.471 3.767 20 0 DHADLN CC[C@@H](C(=O)Nc1nc(-c2ccccc2F)n[nH]1)c1ccccc1 ZINC000500929646 340070337 /nfs/dbraw/zinc/07/03/37/340070337.db2.gz YPDHDICEYMNFTP-CYBMUJFWSA-N 0 2 324.359 3.743 20 0 DHADLN Cc1n[nH]c(NC(=O)C(C)(C)c2ccc(-c3ccccc3)cc2)n1 ZINC000505549122 340170725 /nfs/dbraw/zinc/17/07/25/340170725.db2.gz ISDXYAAVKYMJEV-UHFFFAOYSA-N 0 2 320.396 3.696 20 0 DHADLN Cc1ccnc(NS(=O)(=O)c2cccc(-c3ccccc3)c2)c1 ZINC000506819381 340202301 /nfs/dbraw/zinc/20/23/01/340202301.db2.gz GXFIJABCJHTDON-UHFFFAOYSA-N 0 2 324.405 3.858 20 0 DHADLN CO[C@@H](C)c1nsc(N[C@H](C)CC(C)(C)c2ccccc2)n1 ZINC000509649767 340275584 /nfs/dbraw/zinc/27/55/84/340275584.db2.gz NISSYXINZORQGQ-OLZOCXBDSA-N 0 2 319.474 3.836 20 0 DHADLN Cc1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1Cl ZINC000509660784 340276058 /nfs/dbraw/zinc/27/60/58/340276058.db2.gz FWCAOJCSOVVVBG-UHFFFAOYSA-N 0 2 317.744 3.727 20 0 DHADLN Cc1noc(C)c1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000230872433 340621151 /nfs/dbraw/zinc/62/11/51/340621151.db2.gz CTTKXIMXTKSLMP-UHFFFAOYSA-N 0 2 301.129 3.556 20 0 DHADLN O=S(=O)(Nc1nccs1)c1ccc(-c2ccccc2)cc1 ZINC000074934784 340711387 /nfs/dbraw/zinc/71/13/87/340711387.db2.gz PQBIGEBDGHIYNG-UHFFFAOYSA-N 0 2 316.407 3.611 20 0 DHADLN CCC[C@@H](OCC)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000528943925 340740244 /nfs/dbraw/zinc/74/02/44/340740244.db2.gz JHYYPCNGQZYUPQ-LLVKDONJSA-N 0 2 306.189 3.843 20 0 DHADLN O=S(=O)(Nc1cc(F)cc(F)c1)c1c(F)cccc1Cl ZINC000125381901 340803811 /nfs/dbraw/zinc/80/38/11/340803811.db2.gz SMJSBLYEIRSPEF-UHFFFAOYSA-N 0 2 321.707 3.558 20 0 DHADLN CC[C@H](C)n1nc(NS(=O)(=O)c2cc(C)ccc2C)cc1C ZINC000538298156 340816897 /nfs/dbraw/zinc/81/68/97/340816897.db2.gz GGCOXRDHHGAAJU-ZDUSSCGKSA-N 0 2 321.446 3.580 20 0 DHADLN CCc1cccc2c1N(C(=O)c1cc(F)c(F)c(O)c1F)CC2 ZINC000542619281 341015116 /nfs/dbraw/zinc/01/51/16/341015116.db2.gz RAZYIOKBNAAXAE-UHFFFAOYSA-N 0 2 321.298 3.575 20 0 DHADLN CCC(C)(C)NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000542730014 341019030 /nfs/dbraw/zinc/01/90/30/341019030.db2.gz UOQPTMVMQWKVNT-UHFFFAOYSA-N 0 2 324.837 3.591 20 0 DHADLN c1cn(-c2csc(C[N@H+]3CCC[C@@H]3c3ccccn3)c2)c[nH+]1 ZINC000544350444 341077497 /nfs/dbraw/zinc/07/74/97/341077497.db2.gz CASNNIUQOUYVJK-QGZVFWFLSA-N 0 2 310.426 3.666 20 0 DHADLN CCCc1nc(C(=O)Nc2cc(Cl)cc(Cl)c2O)co1 ZINC000544786658 341093757 /nfs/dbraw/zinc/09/37/57/341093757.db2.gz PLDYPJFKKQVBHU-UHFFFAOYSA-N 0 2 315.156 3.892 20 0 DHADLN CCc1cccc(CC)c1NS(=O)(=O)c1sccc1C ZINC000545894560 341144787 /nfs/dbraw/zinc/14/47/87/341144787.db2.gz JNMOCNWPULSQOT-UHFFFAOYSA-N 0 2 309.456 3.982 20 0 DHADLN O=S(=O)(Nc1ccccc1OC1CCCC1)c1ccsc1 ZINC000551934323 341355416 /nfs/dbraw/zinc/35/54/16/341355416.db2.gz UTTMMSPAWDJJCQ-UHFFFAOYSA-N 0 2 323.439 3.870 20 0 DHADLN Cc1[nH]ncc1CNC(=O)c1cc(C(C)C)cc(C(C)C)c1O ZINC000552389549 341390738 /nfs/dbraw/zinc/39/07/38/341390738.db2.gz IABLGSONGDXVJD-UHFFFAOYSA-N 0 2 315.417 3.601 20 0 DHADLN CC(C)c1ccc(NC(=O)C2=NN(c3ccccc3)CC2=O)cc1 ZINC000566578047 341562178 /nfs/dbraw/zinc/56/21/78/341562178.db2.gz YBTIFGFEQMZKJJ-UHFFFAOYSA-N 0 2 321.380 3.954 20 0 DHADLN CC(C)c1nc(N2CCC(CC(=O)[O-])CC2)cc(C(C)(C)C)[nH+]1 ZINC000572884390 341707781 /nfs/dbraw/zinc/70/77/81/341707781.db2.gz CKZXTLGTTSOTQQ-UHFFFAOYSA-N 0 2 319.449 3.589 20 0 DHADLN CC[C@@H]1CCC[C@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1 ZINC000182825155 523303076 /nfs/dbraw/zinc/30/30/76/523303076.db2.gz OVGLHLGZCGRXAL-BDAKNGLRSA-N 0 2 301.308 3.508 20 0 DHADLN Cc1ccc(C[NH2+][C@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)o1 ZINC000336862946 524611584 /nfs/dbraw/zinc/61/15/84/524611584.db2.gz CBFJLQOPXLLFLM-LJQANCHMSA-N 0 2 313.397 3.729 20 0 DHADLN Cc1ccccc1N(Cc1nc(=O)c2sccc2[nH]1)C(C)C ZINC000105614753 525219460 /nfs/dbraw/zinc/21/94/60/525219460.db2.gz SNABXXVAPKJBOE-UHFFFAOYSA-N 0 2 313.426 3.708 20 0 DHADLN O=C(Nc1c(O)c(Cl)cc(Cl)c1Cl)C1=COCCC1 ZINC000127784289 527093501 /nfs/dbraw/zinc/09/35/01/527093501.db2.gz PXGXBGLNNVTHIS-UHFFFAOYSA-N 0 2 322.575 3.985 20 0 DHADLN C=C1CC[NH+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC1 ZINC000568281707 599856450 /nfs/dbraw/zinc/85/64/50/599856450.db2.gz YSDHZSJPJXMCPH-UHFFFAOYSA-N 0 2 314.410 3.660 20 0 DHADLN Cc1cc(C[N@@H+](C)Cc2ccc(F)cc2Cl)oc1C(=O)[O-] ZINC000570975350 600138022 /nfs/dbraw/zinc/13/80/22/600138022.db2.gz FWAZUAZDGBALPG-UHFFFAOYSA-N 0 2 311.740 3.711 20 0 DHADLN Cc1cc(C[N@H+](C)Cc2ccc(F)cc2Cl)oc1C(=O)[O-] ZINC000570975350 600138024 /nfs/dbraw/zinc/13/80/24/600138024.db2.gz FWAZUAZDGBALPG-UHFFFAOYSA-N 0 2 311.740 3.711 20 0 DHADLN Cc1sc(C(=O)[O-])cc1COc1ccccc1-n1cc[nH+]c1 ZINC000833031208 601636382 /nfs/dbraw/zinc/63/63/82/601636382.db2.gz HAZABIIQYXYQIB-UHFFFAOYSA-N 0 2 314.366 3.519 20 0 DHADLN CC(C)([NH2+]Cc1cc(C(=O)[O-])ccc1Cl)c1nccs1 ZINC000833460809 605839659 /nfs/dbraw/zinc/83/96/59/605839659.db2.gz KAWAXMNWCBCPTR-UHFFFAOYSA-N 0 2 310.806 3.520 20 0 DHADLN Cc1nc(C[N@@H+]2[C@H](C)CCC[C@@H]2C(=O)[O-])sc1C(C)(C)C ZINC001594453845 959404538 /nfs/dbraw/zinc/40/45/38/959404538.db2.gz QPTMJWSAYIHZHL-ZYHUDNBSSA-N 0 2 310.463 3.577 20 0 DHADLN Cc1nc(C[N@H+]2[C@H](C)CCC[C@@H]2C(=O)[O-])sc1C(C)(C)C ZINC001594453845 959404545 /nfs/dbraw/zinc/40/45/45/959404545.db2.gz QPTMJWSAYIHZHL-ZYHUDNBSSA-N 0 2 310.463 3.577 20 0 DHADLN O=C(Nc1cc(Cl)cc(Cl)c1O)[C@@H]1COc2ccccc21 ZINC000220326810 1013205742 /nfs/dbraw/zinc/20/57/42/1013205742.db2.gz NLYPHFFGTWJCQZ-SNVBAGLBSA-N 0 2 324.163 3.814 20 0 DHADLN Cc1cccc([C@@H]([NH2+]Cc2cnc(-c3ccccc3)o2)C(=O)[O-])c1 ZINC001574394884 961200951 /nfs/dbraw/zinc/20/09/51/961200951.db2.gz HOEQJBRZRAGLJH-QGZVFWFLSA-N 0 2 322.364 3.566 20 0 DHADLN Cc1cc(C)cc(CN(C)C(=O)c2c(O)cc(F)cc2F)c1 ZINC000683421687 1013472330 /nfs/dbraw/zinc/47/23/30/1013472330.db2.gz KRKOTBIRPNLESP-UHFFFAOYSA-N 0 2 305.324 3.559 20 0 DHADLN CCCCN(C)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000240790609 1013767897 /nfs/dbraw/zinc/76/78/97/1013767897.db2.gz AYLBHOPZQVLUPK-UHFFFAOYSA-N 0 2 324.471 3.785 20 0 DHADLN CSCc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 ZINC000048675189 1013920334 /nfs/dbraw/zinc/92/03/34/1013920334.db2.gz FTSDKCNDCYNDMG-UHFFFAOYSA-N 0 2 306.387 3.654 20 0 DHADLN Cc1cc(C)c(C)c(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)c1C ZINC000317355077 1014071576 /nfs/dbraw/zinc/07/15/76/1014071576.db2.gz HZGYGYNCJHBVBF-UHFFFAOYSA-N 0 2 321.446 3.568 20 0 DHADLN Cc1cc(C)c(NS(=O)(=O)c2cccc(F)c2F)c(C)c1 ZINC000158536062 1014086634 /nfs/dbraw/zinc/08/66/34/1014086634.db2.gz OXNMRSJLZJICQV-UHFFFAOYSA-N 0 2 311.353 3.691 20 0 DHADLN C[C@H]1CC[N@H+](Cc2nc(C3CCCCC3)cs2)[C@@H](C(=O)[O-])C1 ZINC000576286463 974812818 /nfs/dbraw/zinc/81/28/18/974812818.db2.gz ZEUZBQUAWCPLGW-SWLSCSKDSA-N 0 2 322.474 3.876 20 0 DHADLN C[C@H]1CC[N@@H+](Cc2nc(C3CCCCC3)cs2)[C@@H](C(=O)[O-])C1 ZINC000576286463 974812823 /nfs/dbraw/zinc/81/28/23/974812823.db2.gz ZEUZBQUAWCPLGW-SWLSCSKDSA-N 0 2 322.474 3.876 20 0 DHADLN Cc1cc(C[N@H+](Cc2ccc(F)cc2F)C2CC2)oc1C(=O)[O-] ZINC000652388041 975518357 /nfs/dbraw/zinc/51/83/57/975518357.db2.gz NVHVXIKNPLWGRK-UHFFFAOYSA-N 0 2 321.323 3.729 20 0 DHADLN Cc1cc(C[N@@H+](Cc2ccc(F)cc2F)C2CC2)oc1C(=O)[O-] ZINC000652388041 975518361 /nfs/dbraw/zinc/51/83/61/975518361.db2.gz NVHVXIKNPLWGRK-UHFFFAOYSA-N 0 2 321.323 3.729 20 0 DHADLN CCCCc1nc(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)cs1 ZINC000652459871 975541152 /nfs/dbraw/zinc/54/11/52/975541152.db2.gz RKIADMFWHIWBIR-UHFFFAOYSA-N 0 2 318.442 3.816 20 0 DHADLN CCCCc1nc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)cs1 ZINC000652459871 975541160 /nfs/dbraw/zinc/54/11/60/975541160.db2.gz RKIADMFWHIWBIR-UHFFFAOYSA-N 0 2 318.442 3.816 20 0 DHADLN CC(C)Oc1ccc[nH+]c1NCc1cc(C(=O)[O-])ccc1Cl ZINC001591803568 976024541 /nfs/dbraw/zinc/02/45/41/976024541.db2.gz KMYDUANZAOFACF-UHFFFAOYSA-N 0 2 320.776 3.833 20 0 DHADLN CC(C)n1c[nH+]cc1/C=C(/C(=O)[O-])c1nc(C(C)(C)C)cs1 ZINC001592145865 977006837 /nfs/dbraw/zinc/00/68/37/977006837.db2.gz XIXKRPXCAZOOLE-WUXMJOGZSA-N 0 2 319.430 3.843 20 0 DHADLN CC[C@H](C)c1ccc(S(=O)(=O)Nc2c[nH]nc2C2CC2)cc1 ZINC000580902841 1014433814 /nfs/dbraw/zinc/43/38/14/1014433814.db2.gz NIENZSAFAPFIRD-NSHDSACASA-N 0 2 319.430 3.601 20 0 DHADLN CCc1oc(C[NH2+][C@H](C)c2c(F)cccc2F)cc1C(=O)[O-] ZINC000905726377 981124634 /nfs/dbraw/zinc/12/46/34/981124634.db2.gz BNJNVXHROCNNED-SECBINFHSA-N 0 2 309.312 3.669 20 0 DHADLN O=C(CCCc1ccccc1)N=c1nc(-c2ccccc2)[nH]s1 ZINC000614689458 1014896703 /nfs/dbraw/zinc/89/67/03/1014896703.db2.gz ZNIVBFDKYSPRKF-UHFFFAOYSA-N 0 2 323.421 3.588 20 0 DHADLN CCc1oc2ccccc2c1CN(C)c1[nH+]cccc1C(=O)[O-] ZINC000608372070 1014965801 /nfs/dbraw/zinc/96/58/01/1014965801.db2.gz RIXARENPCZGJRJ-UHFFFAOYSA-N 0 2 310.353 3.725 20 0 DHADLN O=C(c1cc(-c2ccccc2)cc(Cl)c1O)N1CC2(CC2)C1 ZINC000452279324 1015007341 /nfs/dbraw/zinc/00/73/41/1015007341.db2.gz ZFRLWPPFHXDTAO-UHFFFAOYSA-N 0 2 313.784 3.949 20 0 DHADLN C/C(=C/C[N@H+](Cc1c(Cl)cccc1Cl)C1CC1)C(=O)[O-] ZINC001588958606 984713804 /nfs/dbraw/zinc/71/38/04/984713804.db2.gz NMDYFXASYBPBPW-YFHOEESVSA-N 0 2 314.212 3.989 20 0 DHADLN C/C(=C/C[N@@H+](Cc1c(Cl)cccc1Cl)C1CC1)C(=O)[O-] ZINC001588958606 984713809 /nfs/dbraw/zinc/71/38/09/984713809.db2.gz NMDYFXASYBPBPW-YFHOEESVSA-N 0 2 314.212 3.989 20 0 DHADLN CC(C)c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1 ZINC000008108776 1015306943 /nfs/dbraw/zinc/30/69/43/1015306943.db2.gz WCRDHORUOSQLPG-UHFFFAOYSA-N 0 2 311.353 3.889 20 0 DHADLN CCc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccc3ccccc3c2)o1 ZINC001597530077 988180492 /nfs/dbraw/zinc/18/04/92/988180492.db2.gz DDVUUFPBXAJKHH-GOSISDBHSA-N 0 2 309.365 3.911 20 0 DHADLN CCc1nc([C@H](C)[NH2+]Cc2cccc(C(=O)[O-])c2Cl)cs1 ZINC001597656530 988710413 /nfs/dbraw/zinc/71/04/13/988710413.db2.gz QIPYABLLSJEDAT-VIFPVBQESA-N 0 2 324.833 3.908 20 0 DHADLN CCc1oc(C[N@@H+]2CCc3c(Cl)cccc3C2)cc1C(=O)[O-] ZINC001597798981 989376058 /nfs/dbraw/zinc/37/60/58/989376058.db2.gz KLISMRMDIZHUKD-UHFFFAOYSA-N 0 2 319.788 3.752 20 0 DHADLN CCc1oc(C[N@H+]2CCc3c(Cl)cccc3C2)cc1C(=O)[O-] ZINC001597798981 989376070 /nfs/dbraw/zinc/37/60/70/989376070.db2.gz KLISMRMDIZHUKD-UHFFFAOYSA-N 0 2 319.788 3.752 20 0 DHADLN CC(C)C[C@H](C(=O)[O-])[N@H+](C)Cc1csc(-c2ccccc2)n1 ZINC001591119765 991788170 /nfs/dbraw/zinc/78/81/70/991788170.db2.gz GKFFKMKXCIEVPU-OAHLLOKOSA-N 0 2 318.442 3.741 20 0 DHADLN CC(C)C[C@H](C(=O)[O-])[N@@H+](C)Cc1csc(-c2ccccc2)n1 ZINC001591119765 991788181 /nfs/dbraw/zinc/78/81/81/991788181.db2.gz GKFFKMKXCIEVPU-OAHLLOKOSA-N 0 2 318.442 3.741 20 0 DHADLN C[C@H]([NH2+]C1(c2ccccc2Cl)CC1)c1ncc(C(=O)[O-])s1 ZINC001593210949 994258853 /nfs/dbraw/zinc/25/88/53/994258853.db2.gz UXSIBYJFTRVXBK-VIFPVBQESA-N 0 2 322.817 3.835 20 0 DHADLN C[C@@H](Nc1cc(CC(=O)[O-])cc[nH+]1)c1ccccc1C(F)(F)F ZINC001593360523 995024075 /nfs/dbraw/zinc/02/40/75/995024075.db2.gz SSCGTEKGCKSRAL-SNVBAGLBSA-N 0 2 324.302 3.901 20 0 DHADLN C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CC(C)(C)[C@@H]1c1ccccc1 ZINC001593732334 996310674 /nfs/dbraw/zinc/31/06/74/996310674.db2.gz RWVZSPGDIHLWDK-FZMZJTMJSA-N 0 2 316.426 3.985 20 0 DHADLN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+]1CC(C)(C)[C@@H]1c1ccccc1 ZINC001593732334 996310679 /nfs/dbraw/zinc/31/06/79/996310679.db2.gz RWVZSPGDIHLWDK-FZMZJTMJSA-N 0 2 316.426 3.985 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CC[C@@H](CSc2ccccc2)C1 ZINC000277303912 1016176064 /nfs/dbraw/zinc/17/60/64/1016176064.db2.gz BBNBRUVGGOVFKY-PWSUYJOCSA-N 0 2 321.339 3.528 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CC[C@@H](CSc2ccccc2)C1 ZINC000277303912 1016176069 /nfs/dbraw/zinc/17/60/69/1016176069.db2.gz BBNBRUVGGOVFKY-PWSUYJOCSA-N 0 2 321.339 3.528 20 0 DHADLN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C(F)C(F)(F)F ZINC000277325478 1016201295 /nfs/dbraw/zinc/20/12/95/1016201295.db2.gz CNSFJKRXZLQWBM-GZMMTYOYSA-N 0 2 311.706 3.630 20 0 DHADLN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)[C@@H](F)C(F)(F)F ZINC000277325478 1016201302 /nfs/dbraw/zinc/20/13/02/1016201302.db2.gz CNSFJKRXZLQWBM-GZMMTYOYSA-N 0 2 311.706 3.630 20 0 DHADLN O=C(Nc1cc(F)cc(Cl)c1)c1cc(F)c(O)c(F)c1 ZINC000622444496 1016417459 /nfs/dbraw/zinc/41/74/59/1016417459.db2.gz KQHRFCUQJSWISQ-UHFFFAOYSA-N 0 2 301.651 3.715 20 0 DHADLN O=[N+]([O-])[C@@H]1C[C@H]1c1nc(-c2cccc(Oc3ccccc3)c2)no1 ZINC000072590379 1016641762 /nfs/dbraw/zinc/64/17/62/1016641762.db2.gz OENYHJWJEZYVAY-HUUCEWRRSA-N 0 2 323.308 3.662 20 0 DHADLN CCCS(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000192706222 1016985332 /nfs/dbraw/zinc/98/53/32/1016985332.db2.gz PYLODUSTBADPLT-UHFFFAOYSA-N 0 2 316.835 3.615 20 0 DHADLN C[C@H](NC(=O)C(F)C(F)(F)F)c1ccc2c(c1)CCCC2 ZINC000763952732 1017052360 /nfs/dbraw/zinc/05/23/60/1017052360.db2.gz BMEZHBPQFIBUNS-ZANVPECISA-N 0 2 303.299 3.643 20 0 DHADLN C[C@H](NC(=O)[C@H](F)C(F)(F)F)c1ccc2c(c1)CCCC2 ZINC000763952732 1017052391 /nfs/dbraw/zinc/05/23/91/1017052391.db2.gz BMEZHBPQFIBUNS-ZANVPECISA-N 0 2 303.299 3.643 20 0 DHADLN CC[C@H](C)[C@H](OC)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000476510759 1032294057 /nfs/dbraw/zinc/29/40/57/1032294057.db2.gz SBOKBQBHEMKAPE-MADCSZMMSA-N 0 2 306.189 3.699 20 0 DHADLN CCCn1cc(NC(=O)c2c(O)cc(Cl)cc2Cl)cn1 ZINC000175256091 1011895082 /nfs/dbraw/zinc/89/50/82/1011895082.db2.gz RBGBFVBDLIDQSQ-UHFFFAOYSA-N 0 2 314.172 3.558 20 0 DHADLN CC(C)c1ccc(S(O)=CC(=O)N2[C@H](C)CCC[C@@H]2C)cc1 ZINC000108065449 1012336151 /nfs/dbraw/zinc/33/61/51/1012336151.db2.gz UOHAWSRNBCEGDJ-KIMHZCHSSA-N 0 2 321.486 3.707 20 0 DHADLN Cc1cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)ns1 ZINC000444344659 1017200772 /nfs/dbraw/zinc/20/07/72/1017200772.db2.gz RFGYKJROBGYYFH-UHFFFAOYSA-N 0 2 303.170 3.716 20 0 DHADLN CCCOc1cccc(NS(=O)(=O)c2cc(C)ccc2F)c1 ZINC000614791412 1017458356 /nfs/dbraw/zinc/45/83/56/1017458356.db2.gz ZPSUICHGBWRPJM-UHFFFAOYSA-N 0 2 323.389 3.724 20 0 DHADLN CN(C)c1ccncc1C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000657659069 1017686960 /nfs/dbraw/zinc/68/69/60/1017686960.db2.gz CCTLCHUWIXRNFI-UHFFFAOYSA-N 0 2 310.228 3.744 20 0 DHADLN CO[C@H](C)c1cccc(NS(=O)(=O)c2cc(C)ccc2F)c1 ZINC000171013513 1017812481 /nfs/dbraw/zinc/81/24/81/1017812481.db2.gz RYVBRBIIBJOVIT-GFCCVEGCSA-N 0 2 323.389 3.642 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2nc3ccc(C)cc3s2)c(C)o1 ZINC000183104290 1017995407 /nfs/dbraw/zinc/99/54/07/1017995407.db2.gz NMXVZBORSSQWJZ-UHFFFAOYSA-N 0 2 322.411 3.615 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC(CCc2ccccc2)CC1 ZINC000764039230 1018135803 /nfs/dbraw/zinc/13/58/03/1018135803.db2.gz YYVYEPPQCIAVNG-CQSZACIVSA-N 0 2 317.326 3.758 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCC(CCc2ccccc2)CC1 ZINC000764039230 1018135823 /nfs/dbraw/zinc/13/58/23/1018135823.db2.gz YYVYEPPQCIAVNG-CQSZACIVSA-N 0 2 317.326 3.758 20 0 DHADLN Clc1cccc2c1CC[C@H]2[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000155188232 1018252743 /nfs/dbraw/zinc/25/27/43/1018252743.db2.gz IWMNPNMTLBVZMM-QGZVFWFLSA-N 0 2 301.821 3.861 20 0 DHADLN CCc1cccc(S(=O)(=O)Nc2nc(C3CCC3)cs2)c1 ZINC000446972531 1018309872 /nfs/dbraw/zinc/30/98/72/1018309872.db2.gz VCPUIUMRITVTTM-UHFFFAOYSA-N 0 2 322.455 3.774 20 0 DHADLN CCc1cccc(NS(=O)(=O)c2ccc(C)s2)c1CC ZINC000486101785 1018566328 /nfs/dbraw/zinc/56/63/28/1018566328.db2.gz ZGEQLPQQAXMZKG-UHFFFAOYSA-N 0 2 309.456 3.982 20 0 DHADLN Cc1noc(C2CC2)c1NS(=O)(=O)c1c(C)cc(C)cc1C ZINC000126949291 1018622592 /nfs/dbraw/zinc/62/25/92/1018622592.db2.gz VKHWFGXTPUTAPU-UHFFFAOYSA-N 0 2 320.414 3.586 20 0 DHADLN C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1c(O)cc(F)cc1F ZINC000676347759 1018707523 /nfs/dbraw/zinc/70/75/23/1018707523.db2.gz NJJIRQLSFBUACJ-SECBINFHSA-N 0 2 321.298 3.569 20 0 DHADLN Cc1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000007052212 1018999572 /nfs/dbraw/zinc/99/95/72/1018999572.db2.gz ULQSVAIOMXYXOB-UHFFFAOYSA-N 0 2 313.781 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Cc1nsc(Nc2c(F)cc(F)c(OC(C)C)c2F)n1 ZINC001212642356 1033031289 /nfs/dbraw/zinc/03/12/89/1033031289.db2.gz ULGSUXBVAOORLL-UHFFFAOYSA-N 0 2 303.309 3.795 20 0 DHADLN Cc1cccc2c(=O)c(C(=O)N3CCC[C@@H]4CCC[C@H]43)c[nH]c12 ZINC000164121655 1022170740 /nfs/dbraw/zinc/17/07/40/1022170740.db2.gz SRABCIWMDKDVAY-XJKSGUPXSA-N 0 2 310.397 3.654 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000855485683 1022640848 /nfs/dbraw/zinc/64/08/48/1022640848.db2.gz GQHYHMDMSFEIIH-WDEREUQCSA-N 0 2 305.271 3.624 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CC2(CCCC2)[C@H]1c1ccco1 ZINC000855485683 1022640855 /nfs/dbraw/zinc/64/08/55/1022640855.db2.gz GQHYHMDMSFEIIH-WDEREUQCSA-N 0 2 305.271 3.624 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@H]1c1ccc(F)cc1F ZINC000837101530 1022740195 /nfs/dbraw/zinc/74/01/95/1022740195.db2.gz OWXLYPULMKWJNI-QWRGUYRKSA-N 0 2 311.225 3.529 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CCC[C@H]1c1ccc(F)cc1F ZINC000837101530 1022740211 /nfs/dbraw/zinc/74/02/11/1022740211.db2.gz OWXLYPULMKWJNI-QWRGUYRKSA-N 0 2 311.225 3.529 20 0 DHADLN C[C@H]1CC(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)C[C@H](C)O1 ZINC000159234595 1022879266 /nfs/dbraw/zinc/87/92/66/1022879266.db2.gz RNKSKLNIVYBHRV-YUMQZZPRSA-N 0 2 318.200 3.841 20 0 DHADLN Cc1c(NC(=O)c2cccc(Cl)c2O)cnn1C1CCCC1 ZINC000768748029 1023021213 /nfs/dbraw/zinc/02/12/13/1023021213.db2.gz RVJFMYGLSBYOEX-UHFFFAOYSA-N 0 2 319.792 3.918 20 0 DHADLN Cc1cccc(C2(C(=O)NOCCOC(C)C)CCCCC2)c1 ZINC000857510646 1023025292 /nfs/dbraw/zinc/02/52/92/1023025292.db2.gz QQELCSBLBRTYMO-UHFFFAOYSA-N 0 2 319.445 3.670 20 0 DHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCC(C2CCC2)CC1 ZINC000617771126 1023049674 /nfs/dbraw/zinc/04/96/74/1023049674.db2.gz IYQXOERSQRYJGG-UHFFFAOYSA-N 0 2 311.784 3.837 20 0 DHADLN Cc1ccnc(NC(=O)c2cc(F)c(O)c(F)c2)c1C1CC1 ZINC000622148831 1023050654 /nfs/dbraw/zinc/05/06/54/1023050654.db2.gz AKAMHCYDUNXNCG-UHFFFAOYSA-N 0 2 304.296 3.504 20 0 DHADLN CC(C)c1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC000184684979 1023060748 /nfs/dbraw/zinc/06/07/48/1023060748.db2.gz WRCZKRYEBMSZAE-UHFFFAOYSA-N 0 2 314.341 3.700 20 0 DHADLN CC[C@H](CC(C)C)[NH+]1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001172396902 1033181980 /nfs/dbraw/zinc/18/19/80/1033181980.db2.gz HPNPLDSIZUXACD-DLBZAZTESA-N 0 2 320.525 3.925 20 0 DHADLN O=S(=O)(Nc1ncsc1C1CC1)c1ccc(C2CC2)cc1 ZINC000882772932 1024129062 /nfs/dbraw/zinc/12/90/62/1024129062.db2.gz RSXHUTZFELHMEA-UHFFFAOYSA-N 0 2 320.439 3.699 20 0 DHADLN CC(C)(C)c1nc(SCc2ccn(C3CCCC3)n2)n[nH]1 ZINC000268612190 1024133082 /nfs/dbraw/zinc/13/30/82/1024133082.db2.gz RTAFBVYQVDUCJH-UHFFFAOYSA-N 0 2 305.451 3.706 20 0 DHADLN CC(C)(C)[C@H](NC(=O)C(F)C(F)(F)F)c1ccc(F)cc1 ZINC000791325954 1024471044 /nfs/dbraw/zinc/47/10/44/1024471044.db2.gz BGHGKKYCWKJDRT-GHMZBOCLSA-N 0 2 309.278 3.930 20 0 DHADLN CC(C)(C)[C@H](NC(=O)[C@@H](F)C(F)(F)F)c1ccc(F)cc1 ZINC000791325954 1024471048 /nfs/dbraw/zinc/47/10/48/1024471048.db2.gz BGHGKKYCWKJDRT-GHMZBOCLSA-N 0 2 309.278 3.930 20 0 DHADLN O=S(=O)(Nc1cccc(Oc2ccccc2)c1)c1ccoc1 ZINC000349946722 1024771878 /nfs/dbraw/zinc/77/18/78/1024771878.db2.gz MDTMSRFQGTUJMJ-UHFFFAOYSA-N 0 2 315.350 3.873 20 0 DHADLN CC(C)Sc1cccc(Cl)c1C[N@H+](C)[C@H](C)C(=O)[O-] ZINC000263377553 1024949093 /nfs/dbraw/zinc/94/90/93/1024949093.db2.gz AXXBXDUSCLWBLX-SNVBAGLBSA-N 0 2 301.839 3.745 20 0 DHADLN CC(C)Sc1cccc(Cl)c1C[N@@H+](C)[C@H](C)C(=O)[O-] ZINC000263377553 1024949102 /nfs/dbraw/zinc/94/91/02/1024949102.db2.gz AXXBXDUSCLWBLX-SNVBAGLBSA-N 0 2 301.839 3.745 20 0 DHADLN CCOc1ccc(NS(=O)(=O)c2ccc(C)s2)c(C)c1 ZINC000048655850 1025487152 /nfs/dbraw/zinc/48/71/52/1025487152.db2.gz CKLMBNYQQWZHNA-UHFFFAOYSA-N 0 2 311.428 3.564 20 0 DHADLN Cc1ccccc1C[C@@H](C)[N@@H+](C)Cc1ncc(C[NH+](C)C)s1 ZINC000348361660 1025496204 /nfs/dbraw/zinc/49/62/04/1025496204.db2.gz TXUUBAGXWRMYHB-OAHLLOKOSA-N 0 2 317.502 3.576 20 0 DHADLN Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2)cn1 ZINC000126461883 1025510505 /nfs/dbraw/zinc/51/05/05/1025510505.db2.gz WLBXYTFQOYUKSW-CYBMUJFWSA-N 0 2 310.376 3.566 20 0 DHADLN O=c1cc(-c2ccc(Cl)cc2)[nH]n1Cc1cccc(F)c1 ZINC000614187351 1025828924 /nfs/dbraw/zinc/82/89/24/1025828924.db2.gz VEJNUDQCLHPXSH-UHFFFAOYSA-N 0 2 302.736 3.616 20 0 DHADLN CN(Cc1ccc(Cl)c(Cl)c1)c1[nH+]cccc1C(=O)[O-] ZINC000614259653 1026001895 /nfs/dbraw/zinc/00/18/95/1026001895.db2.gz ZGOVQKYVVVPXEZ-UHFFFAOYSA-N 0 2 311.168 3.723 20 0 DHADLN O=S(=O)(Nc1cccc(C(F)F)c1)c1cc(F)ccc1F ZINC000195451752 1026002833 /nfs/dbraw/zinc/00/28/33/1026002833.db2.gz GILZZZMKVSFBIW-UHFFFAOYSA-N 0 2 319.279 3.703 20 0 DHADLN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(F)C(F)(F)F ZINC000290010534 1026279941 /nfs/dbraw/zinc/27/99/41/1026279941.db2.gz YUTAEYGIYPIKDH-SECBINFHSA-N 0 2 318.097 3.852 20 0 DHADLN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)[C@@H](F)C(F)(F)F ZINC000290010534 1026279956 /nfs/dbraw/zinc/27/99/56/1026279956.db2.gz YUTAEYGIYPIKDH-SECBINFHSA-N 0 2 318.097 3.852 20 0 DHADLN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C(F)C(F)(F)F ZINC000290010537 1026280596 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1037162543 /nfs/dbraw/zinc/16/25/43/1037162543.db2.gz QGKJYQMDOYNMRB-UHFFFAOYSA-N 0 2 317.819 3.519 20 0 DHADLN CCCC[C@H](CC)C[N@@H+]1CCn2cc(C[NH+]3CCCC3)nc2C1 ZINC001201559885 1037778385 /nfs/dbraw/zinc/77/83/85/1037778385.db2.gz OCJFCECHQFBXPS-KRWDZBQOSA-N 0 2 318.509 3.511 20 0 DHADLN Cc1ccc2c(cccc2NC(=O)c2ncc(C(F)(F)F)[nH]2)n1 ZINC001188288773 1037856376 /nfs/dbraw/zinc/85/63/76/1037856376.db2.gz LMAOSYWJKWRMJA-UHFFFAOYSA-N 0 2 320.274 3.537 20 0 DHADLN O=S(=O)(Nc1ccc(-c2ccccc2)c(F)c1)c1ccoc1 ZINC001188617558 1037933449 /nfs/dbraw/zinc/93/34/49/1037933449.db2.gz LVVLPYGZYQEZRK-UHFFFAOYSA-N 0 2 317.341 3.887 20 0 DHADLN O=C(NOC1CCCC1)C1(c2ccc(F)cc2F)CCCC1 ZINC000775278161 1038180414 /nfs/dbraw/zinc/18/04/14/1038180414.db2.gz DCSVHRPVCMWEAF-UHFFFAOYSA-N 0 2 309.356 3.767 20 0 DHADLN O=C(NOC1CCCC1)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000775274239 1038183532 /nfs/dbraw/zinc/18/35/32/1038183532.db2.gz RRXSQVDSBMVZDC-UHFFFAOYSA-N 0 2 313.319 3.727 20 0 DHADLN Cc1csc(NS(=O)(=O)c2cccc3cc(C)cnc32)c1 ZINC001191150333 1038450277 /nfs/dbraw/zinc/45/02/77/1038450277.db2.gz ASPFFBPAZZWUIX-UHFFFAOYSA-N 0 2 318.423 3.714 20 0 DHADLN Cc1cccc(S(=O)(=O)Nc2ccnn2[C@@H](C)CC(C)C)c1 ZINC000589270962 1038456611 /nfs/dbraw/zinc/45/66/11/1038456611.db2.gz MCQNMRBWBXAPNA-AWEZNQCLSA-N 0 2 321.446 3.599 20 0 DHADLN CCCCc1ccc(S(=O)(=O)Nc2cn(C(C)C)cn2)cc1 ZINC001191232897 1038473116 /nfs/dbraw/zinc/47/31/16/1038473116.db2.gz LMYFXWXWVRVUGZ-UHFFFAOYSA-N 0 2 321.446 3.607 20 0 DHADLN Cc1cc(Cl)ncc1S(=O)(=O)Nc1cc(Cl)cs1 ZINC001192322454 1038629463 /nfs/dbraw/zinc/62/94/63/1038629463.db2.gz ZGEOIWBJZJLQEB-UHFFFAOYSA-N 0 2 323.226 3.559 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2cc(Cl)cs2)cnc1Cl ZINC001192534592 1038678116 /nfs/dbraw/zinc/67/81/16/1038678116.db2.gz WZYUUDRONOFYEP-UHFFFAOYSA-N 0 2 323.226 3.559 20 0 DHADLN CC1(C)CN(C(=O)c2c(F)ccc(F)c2O)Cc2ccccc21 ZINC001192703059 1038693159 /nfs/dbraw/zinc/69/31/59/1038693159.db2.gz NIVDSBZGEFNVIR-UHFFFAOYSA-N 0 2 317.335 3.604 20 0 DHADLN CC(C)[C@@H](NC(=O)c1c(F)ccc(F)c1O)c1ccc(F)cc1 ZINC001192719045 1038696553 /nfs/dbraw/zinc/69/65/53/1038696553.db2.gz IMUCHLLLSSUKPZ-OAHLLOKOSA-N 0 2 323.314 3.937 20 0 DHADLN CC[C@H](NC(=O)c1c(F)ccc(F)c1O)c1ccccc1OC ZINC001192721056 1038696645 /nfs/dbraw/zinc/69/66/45/1038696645.db2.gz XRLQWRZJYARSPM-ZDUSSCGKSA-N 0 2 321.323 3.560 20 0 DHADLN Cc1ccc(CN(C)C(=O)c2cc(F)c(O)cc2F)cc1C ZINC001192871111 1038705331 /nfs/dbraw/zinc/70/53/31/1038705331.db2.gz BEVXDEKKWRREBO-UHFFFAOYSA-N 0 2 305.324 3.559 20 0 DHADLN O=C(N[C@@H](c1ccccc1F)C1CC1)c1ccc(O)c(F)c1F ZINC001192841828 1038706791 /nfs/dbraw/zinc/70/67/91/1038706791.db2.gz CFWOALHQPUPLEK-MRXNPFEDSA-N 0 2 321.298 3.691 20 0 DHADLN O=C(Nc1csc2cnccc12)c1cc(F)c(O)cc1F ZINC001192852852 1038709913 /nfs/dbraw/zinc/70/99/13/1038709913.db2.gz LFFYWAKAGVXVJS-UHFFFAOYSA-N 0 2 306.293 3.532 20 0 DHADLN O=C([O-])C[C@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000573816833 1039077276 /nfs/dbraw/zinc/07/72/76/1039077276.db2.gz 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333055276 /nfs/dbraw/zinc/05/52/76/333055276.db2.gz FVIZKSJUINPBMM-ZDUSSCGKSA-N 0 2 321.348 3.637 20 0 DHADLN C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(F)c(O)c(F)c1 ZINC000183334878 333055563 /nfs/dbraw/zinc/05/55/63/333055563.db2.gz DAGZPBHBTKGKBX-SECBINFHSA-N 0 2 309.287 3.643 20 0 DHADLN CN(Cc1ccc(F)cc1)C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000184183759 333343522 /nfs/dbraw/zinc/34/35/22/333343522.db2.gz RCLUGCXAUHXSAL-UHFFFAOYSA-N 0 2 311.715 3.596 20 0 DHADLN Cc1ccc(CNC(=O)c2cc(F)c(O)c(Cl)c2)cc1F ZINC000184207836 333347131 /nfs/dbraw/zinc/34/71/31/333347131.db2.gz ILVSTUQFDYYREE-UHFFFAOYSA-N 0 2 311.715 3.562 20 0 DHADLN CCOCc1cccc(NC(=O)c2cc(F)c(O)c(Cl)c2)c1 ZINC000184360344 333356438 /nfs/dbraw/zinc/35/64/38/333356438.db2.gz LWKYFKVPHLSTBP-UHFFFAOYSA-N 0 2 323.751 3.974 20 0 DHADLN O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cc(F)c(O)c(Cl)c1 ZINC000184383472 333356967 /nfs/dbraw/zinc/35/69/67/333356967.db2.gz WYELWGZLHKXNJM-SMDDNHRTSA-N 0 2 323.726 3.610 20 0 DHADLN O=C(NCc1ccc(C(F)F)cc1)c1cc(F)c(O)c(F)c1 ZINC000185406314 333369852 /nfs/dbraw/zinc/36/98/52/333369852.db2.gz CJKPPCSRXPDCMQ-UHFFFAOYSA-N 0 2 313.250 3.538 20 0 DHADLN CCC[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)c1ccccc1 ZINC000186442265 333373672 /nfs/dbraw/zinc/37/36/72/333373672.db2.gz HATGZZNRYZLZHK-OAHLLOKOSA-N 0 2 305.324 3.942 20 0 DHADLN CC(C)(C)[C@H]1CCC[C@@H]1NC(=O)c1cc(F)c(F)c(O)c1F ZINC000413997637 333884274 /nfs/dbraw/zinc/88/42/74/333884274.db2.gz WGOBZNLQFGRQRZ-ONGXEEELSA-N 0 2 315.335 3.754 20 0 DHADLN CSc1ccccc1[C@H](C)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000442968124 338440629 /nfs/dbraw/zinc/44/06/29/338440629.db2.gz RMQLRFVUHSXKGF-VIFPVBQESA-N 0 2 323.364 3.883 20 0 DHADLN C[C@H]1CC[C@@H](CCC(=O)Nc2cc(Cl)cc(Cl)c2O)O1 ZINC000330626197 334798067 /nfs/dbraw/zinc/79/80/67/334798067.db2.gz UZJYDUIUSJGRLT-WPRPVWTQSA-N 0 2 318.200 3.985 20 0 DHADLN O=C(CC1(O)CCCCC1)Nc1cc(Cl)cc(Cl)c1O ZINC000330627143 334798425 /nfs/dbraw/zinc/79/84/25/334798425.db2.gz WQPLXZNPFNQNGD-UHFFFAOYSA-N 0 2 318.200 3.723 20 0 DHADLN O=c1nc([C@@H]2CCCO2)[nH]c2cc(-c3ccc(F)cc3)sc21 ZINC000532612190 336257668 /nfs/dbraw/zinc/25/76/68/336257668.db2.gz BKWIYSUCXPFZMQ-LBPRGKRZSA-N 0 2 316.357 3.642 20 0 DHADLN Cc1nc(C)c(S(=O)(=O)Nc2ccc(C(C)C)cc2)s1 ZINC000360510636 336713531 /nfs/dbraw/zinc/71/35/31/336713531.db2.gz IGYWXOIXZAIVLE-UHFFFAOYSA-N 0 2 310.444 3.684 20 0 DHADLN O=c1nc(CN2CCC=C(c3ccccc3)C2)[nH]c2ccsc21 ZINC000375326049 337008148 /nfs/dbraw/zinc/00/81/48/337008148.db2.gz ILSXPOBWJZFCDS-UHFFFAOYSA-N 0 2 323.421 3.686 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000377758659 337060306 /nfs/dbraw/zinc/06/03/06/337060306.db2.gz FVLITBIFWZQRDV-CYBMUJFWSA-N 0 2 319.273 3.732 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000377758659 337060307 /nfs/dbraw/zinc/06/03/07/337060307.db2.gz FVLITBIFWZQRDV-CYBMUJFWSA-N 0 2 319.273 3.732 20 0 DHADLN Cc1ccccc1C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000377899989 337063650 /nfs/dbraw/zinc/06/36/50/337063650.db2.gz NKMKFAZFTJBXMN-CYBMUJFWSA-N 0 2 303.299 3.601 20 0 DHADLN Cc1ccccc1C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000377899989 337063651 /nfs/dbraw/zinc/06/36/51/337063651.db2.gz NKMKFAZFTJBXMN-CYBMUJFWSA-N 0 2 303.299 3.601 20 0 DHADLN Cc1cc(C)cc([C@H]2CCN(C(=O)[C@@H](F)C(F)(F)F)C2)c1 ZINC000378127521 337066811 /nfs/dbraw/zinc/06/68/11/337066811.db2.gz HNCWFIJAEOOVLE-WCQYABFASA-N 0 2 303.299 3.520 20 0 DHADLN Cc1cc(C)cc([C@H]2CCN(C(=O)C(F)C(F)(F)F)C2)c1 ZINC000378127521 337066812 /nfs/dbraw/zinc/06/68/12/337066812.db2.gz HNCWFIJAEOOVLE-WCQYABFASA-N 0 2 303.299 3.520 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2nc(C(C)C)cs2)ccc1F ZINC000171677468 337087098 /nfs/dbraw/zinc/08/70/98/337087098.db2.gz JAKXJKJGYAPHBW-UHFFFAOYSA-N 0 2 314.407 3.515 20 0 DHADLN CCCn1ccc2ccc(NC(=O)c3ccc4[nH]nnc4c3)cc21 ZINC000175268162 337146615 /nfs/dbraw/zinc/14/66/15/337146615.db2.gz GOBWSZIWYXXXCU-UHFFFAOYSA-N 0 2 319.368 3.575 20 0 DHADLN COc1cccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000177248628 337154976 /nfs/dbraw/zinc/15/49/76/337154976.db2.gz PLMDFSPWOPEYRV-OAHLLOKOSA-N 0 2 307.397 3.732 20 0 DHADLN C1CC2(C1)C[C@@H](Nc1nc(C3CCCCC3)ns1)CCO2 ZINC000420615194 337508749 /nfs/dbraw/zinc/50/87/49/337508749.db2.gz PKPWWFOQNYKKMR-ZDUSSCGKSA-N 0 2 307.463 3.521 20 0 DHADLN COc1ccsc1S(=O)(=O)Nc1cccc(C(C)C)c1 ZINC000120636312 337876881 /nfs/dbraw/zinc/87/68/81/337876881.db2.gz INUWOBURBAXIRO-UHFFFAOYSA-N 0 2 311.428 3.681 20 0 DHADLN CCC[C@H](C)[C@@H]1CCCN1C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000426120164 338020794 /nfs/dbraw/zinc/02/07/94/338020794.db2.gz OAUOOHRAFPKHTL-RYUDHWBXSA-N 0 2 324.494 3.690 20 0 DHADLN CCC[C@@H](C)[C@H]1CCCN1C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000426120165 338020797 /nfs/dbraw/zinc/02/07/97/338020797.db2.gz OAUOOHRAFPKHTL-VXGBXAGGSA-N 0 2 324.494 3.690 20 0 DHADLN Cc1cccc([C@@H]([NH2+]Cc2ccsc2Cl)C(=O)[O-])c1C ZINC000426735137 338039877 /nfs/dbraw/zinc/03/98/77/338039877.db2.gz RYGDHKPIVSMUOW-CYBMUJFWSA-N 0 2 309.818 3.934 20 0 DHADLN Cc1cc(C)c(S(=O)(=O)Nc2cnc3ccccc3c2)s1 ZINC000431149516 338124195 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338278650 /nfs/dbraw/zinc/27/86/50/338278650.db2.gz HZLZRZAEBMZGEG-UHFFFAOYSA-N 0 2 316.115 3.796 20 0 DHADLN Cc1ccccc1C(C)(C)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000436595327 338279075 /nfs/dbraw/zinc/27/90/75/338279075.db2.gz IGSXZZASWMKOIK-UHFFFAOYSA-N 0 2 305.324 3.644 20 0 DHADLN COc1ccc(NC(=O)c2cc(F)cc(Cl)c2O)cc1F ZINC000436635207 338280846 /nfs/dbraw/zinc/28/08/46/338280846.db2.gz KSWXDBJNLIHYSB-UHFFFAOYSA-N 0 2 313.687 3.585 20 0 DHADLN Cc1cc(N(C)C)ccc1NC(=O)c1cc(F)cc(Cl)c1O ZINC000436639754 338280919 /nfs/dbraw/zinc/28/09/19/338280919.db2.gz RBNOMXCSYNXWLO-UHFFFAOYSA-N 0 2 322.767 3.811 20 0 DHADLN O=C(c1cc(F)cc(Cl)c1O)N1CC(c2ccccc2F)C1 ZINC000436655101 338281637 /nfs/dbraw/zinc/28/16/37/338281637.db2.gz HXWROIMUVDPQKE-UHFFFAOYSA-N 0 2 323.726 3.563 20 0 DHADLN Cc1ccc2c(c1)CCN(C(=O)c1cc(F)cc(Cl)c1O)C2 ZINC000436668788 338282230 /nfs/dbraw/zinc/28/22/30/338282230.db2.gz XTMDMLMCNASNEN-UHFFFAOYSA-N 0 2 319.763 3.692 20 0 DHADLN CC(=O)c1ccc(O)c(NC(=O)c2ccc3ccccc3c2O)c1 ZINC000436680277 338282536 /nfs/dbraw/zinc/28/25/36/338282536.db2.gz NBQMXFSBBWDBAV-UHFFFAOYSA-N 0 2 321.332 3.706 20 0 DHADLN Cc1ccc(Cl)cc1N(C)C(=O)c1cc(F)c(O)c(F)c1 ZINC000436703178 338283305 /nfs/dbraw/zinc/28/33/05/338283305.db2.gz GFVWMEJTMXCPDX-UHFFFAOYSA-N 0 2 311.715 3.909 20 0 DHADLN O=C(Nc1ccc(C(=O)C2CCC2)cc1)c1c(O)cccc1F ZINC000436742078 338285068 /nfs/dbraw/zinc/28/50/68/338285068.db2.gz DTNPCHYVRRUDQC-UHFFFAOYSA-N 0 2 313.328 3.766 20 0 DHADLN CC(=O)c1ccc(NC(=O)c2ccc(F)cc2O)cc1Cl ZINC000436841404 338289512 /nfs/dbraw/zinc/28/95/12/338289512.db2.gz AMCNBMHQUDZTQU-UHFFFAOYSA-N 0 2 307.708 3.640 20 0 DHADLN COc1cccc([C@H](C)NC(=O)c2cc(F)c(O)c(Cl)c2)c1 ZINC000436890417 338292174 /nfs/dbraw/zinc/29/21/74/338292174.db2.gz CINHUTCXENDSGN-VIFPVBQESA-N 0 2 323.751 3.684 20 0 DHADLN O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)c1cc(F)c(O)c(Cl)c1 ZINC000436917586 338293307 /nfs/dbraw/zinc/29/33/07/338293307.db2.gz BRJKOESTFOGGBQ-JBLDHEPKSA-N 0 2 311.784 3.883 20 0 DHADLN O=C(N[C@@H]1CC[C@H]2CCC[C@H]2C1)c1cc(F)c(O)c(Cl)c1 ZINC000436917587 338293310 /nfs/dbraw/zinc/29/33/10/338293310.db2.gz BRJKOESTFOGGBQ-JFGNBEQYSA-N 0 2 311.784 3.883 20 0 DHADLN CC(C)CSCCCNC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000436978935 338296470 /nfs/dbraw/zinc/29/64/70/338296470.db2.gz JJAJYSPFVWNTHA-UHFFFAOYSA-N 0 2 319.829 3.694 20 0 DHADLN C[C@@H]1CCN(C(=O)c2cc(F)c(O)c(Cl)c2)CC12CCC2 ZINC000436990172 338296912 /nfs/dbraw/zinc/29/69/12/338296912.db2.gz PFILKKWUFTUPBR-SNVBAGLBSA-N 0 2 311.784 3.837 20 0 DHADLN Cc1ccsc1-c1nc(=NC(=O)C(C)(C)C(C)C)s[nH]1 ZINC000438968512 338357303 /nfs/dbraw/zinc/35/73/03/338357303.db2.gz YFJXZYDDUVEZKX-UHFFFAOYSA-N 0 2 309.460 3.618 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)s1 ZINC000451093023 338720968 /nfs/dbraw/zinc/72/09/68/338720968.db2.gz VIIQJNVLVJAXMX-UHFFFAOYSA-N 0 2 311.428 3.645 20 0 DHADLN CCCc1nsc(NCc2ccc(-c3cccnc3)cc2)n1 ZINC000461936190 339069170 /nfs/dbraw/zinc/06/91/70/339069170.db2.gz MJNZPAWFXWBTHM-UHFFFAOYSA-N 0 2 310.426 3.587 20 0 DHADLN CCCc1nsc(NCc2ccccc2N2CCCCC2)n1 ZINC000461959362 339069823 /nfs/dbraw/zinc/06/98/23/339069823.db2.gz OWJFGNNQTBPOAA-UHFFFAOYSA-N 0 2 316.474 3.515 20 0 DHADLN COC[C@H](C)[C@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000462595504 339082038 /nfs/dbraw/zinc/08/20/38/339082038.db2.gz VAZZDAFXIKNDCR-YUMQZZPRSA-N 0 2 306.189 3.556 20 0 DHADLN Cc1ccc(NS(=O)(=O)c2c(F)cccc2Cl)cc1F ZINC000463527894 339120423 /nfs/dbraw/zinc/12/04/23/339120423.db2.gz UUITWYGHLDOUKI-UHFFFAOYSA-N 0 2 317.744 3.727 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2cccc(F)c2)sc1Cl ZINC000473506113 339386553 /nfs/dbraw/zinc/38/65/53/339386553.db2.gz QPZHPCRIRDQVJF-UHFFFAOYSA-N 0 2 305.783 3.650 20 0 DHADLN Fc1ccc([C@H]2CC[C@H](Nc3nc(C4CC4)ns3)C2)cc1 ZINC000480575162 339578359 /nfs/dbraw/zinc/57/83/59/339578359.db2.gz FQLRHZCUORWADC-JSGCOSHPSA-N 0 2 303.406 3.725 20 0 DHADLN C[C@@H]1CCC[C@@H](CC(=O)N=c2nc(-c3ccccc3)[nH]s2)C1 ZINC000502725168 340112295 /nfs/dbraw/zinc/11/22/95/340112295.db2.gz UDIBCMDVIFWKJI-CHWSQXEVSA-N 0 2 315.442 3.782 20 0 DHADLN CC[C@H](CC(=O)N=c1nc(C(C)(C)C)[nH]s1)c1ccccc1 ZINC000504905104 340155591 /nfs/dbraw/zinc/15/55/91/340155591.db2.gz CHRZUTFQGLALJJ-GFCCVEGCSA-N 0 2 317.458 3.780 20 0 DHADLN O=C(CCCCCc1cccs1)Nc1ccc2nn[nH]c2c1 ZINC000508011760 340237229 /nfs/dbraw/zinc/23/72/29/340237229.db2.gz BWPNTNFCULFQER-UHFFFAOYSA-N 0 2 314.414 3.761 20 0 DHADLN O=C(CCCc1ccc(Cl)cc1)Nc1ccc2nn[nH]c2c1 ZINC000508018710 340237597 /nfs/dbraw/zinc/23/75/97/340237597.db2.gz XNOQCBNKEGVJPG-UHFFFAOYSA-N 0 2 314.776 3.573 20 0 DHADLN CCc1oncc1NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000509397379 340268336 /nfs/dbraw/zinc/26/83/36/340268336.db2.gz SNLNXTPWEIOJIJ-UHFFFAOYSA-N 0 2 322.430 3.580 20 0 DHADLN CO[C@@H](C)c1nsc(NC[C@@H](c2ccccc2)C(C)C)n1 ZINC000509648796 340275619 /nfs/dbraw/zinc/27/56/19/340275619.db2.gz KPBHJDOLLWNCQF-GXTWGEPZSA-N 0 2 305.447 3.519 20 0 DHADLN CC[C@H](C)CS(=O)(=O)N[C@H](c1cccc(C)c1)C(F)(F)F ZINC000512458908 340362610 /nfs/dbraw/zinc/36/26/10/340362610.db2.gz AUCDRTBOBRGXOT-GXFFZTMASA-N 0 2 323.380 3.564 20 0 DHADLN O=C(Nc1cccc2cccnc21)c1cc(F)c(F)c(O)c1F ZINC000193920793 340585835 /nfs/dbraw/zinc/58/58/35/340585835.db2.gz NUYSSJIKQWKMDH-UHFFFAOYSA-N 0 2 318.254 3.610 20 0 DHADLN Cc1cc2cc(NC(=O)c3cc(F)c(F)c(O)c3F)ccc2[nH]1 ZINC000193926640 340586045 /nfs/dbraw/zinc/58/60/45/340586045.db2.gz UDXWVGCGTLTALH-UHFFFAOYSA-N 0 2 320.270 3.852 20 0 DHADLN CC(C)OCc1ccc(NS(=O)(=O)c2ccccc2F)cc1 ZINC000194034567 340588235 /nfs/dbraw/zinc/58/82/35/340588235.db2.gz JBMMZZKBQNHLEA-UHFFFAOYSA-N 0 2 323.389 3.552 20 0 DHADLN C[C@@H](C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)C(C)(C)C ZINC000523715542 340635735 /nfs/dbraw/zinc/63/57/35/340635735.db2.gz NSGSIMPXVDBKLV-VIFPVBQESA-N 0 2 323.849 3.901 20 0 DHADLN CC(C)(C)Cc1csc(NS(=O)(=O)c2ccccc2)n1 ZINC000540654295 340940435 /nfs/dbraw/zinc/94/04/35/340940435.db2.gz HKDGATYWQRIQFQ-UHFFFAOYSA-N 0 2 310.444 3.533 20 0 DHADLN C[C@@H]1CCN(C(=O)c2cc(F)c(O)c(F)c2)[C@H]2CCCC[C@H]12 ZINC000545155340 341110475 /nfs/dbraw/zinc/11/04/75/341110475.db2.gz 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/nfs/dbraw/zinc/62/12/20/341621220.db2.gz JSUNCOKORIPADH-UHFFFAOYSA-N 0 2 312.369 3.516 20 0 DHADLN CC(C)c1nnc(-c2ccccc2NC(=O)c2ccccc2O)[nH]1 ZINC000154798745 519857184 /nfs/dbraw/zinc/85/71/84/519857184.db2.gz RJORTKGXAWTEHU-UHFFFAOYSA-N 0 2 322.368 3.553 20 0 DHADLN CC[C@H](c1ccncc1)N(CC)C(=O)c1cc(F)c(O)c(F)c1 ZINC000180052127 522976212 /nfs/dbraw/zinc/97/62/12/522976212.db2.gz QKXLHJKGPDVMRL-OAHLLOKOSA-N 0 2 320.339 3.679 20 0 DHADLN CC[C@@H]1C[C@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CCO1 ZINC000163703905 523563343 /nfs/dbraw/zinc/56/33/43/523563343.db2.gz WOXOQNKLWHSLGE-PSASIEDQSA-N 0 2 318.200 3.843 20 0 DHADLN Cc1ccccc1C1=CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000365646170 525084387 /nfs/dbraw/zinc/08/43/87/525084387.db2.gz PJLZSJPBSYPBEO-CYBMUJFWSA-N 0 2 301.283 3.511 20 0 DHADLN Cc1ccccc1C1=CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000365646170 525084393 /nfs/dbraw/zinc/08/43/93/525084393.db2.gz PJLZSJPBSYPBEO-CYBMUJFWSA-N 0 2 301.283 3.511 20 0 DHADLN O=C([O-])[C@@H]1CCCC[N@@H+]1Cc1csc(C2CCCCC2)n1 ZINC000158384301 527659446 /nfs/dbraw/zinc/65/94/46/527659446.db2.gz YFFXEUKOMGUQLS-AWEZNQCLSA-N 0 2 308.447 3.630 20 0 DHADLN O=C([O-])[C@@H]1CCCC[N@H+]1Cc1csc(C2CCCCC2)n1 ZINC000158384301 527659448 /nfs/dbraw/zinc/65/94/48/527659448.db2.gz YFFXEUKOMGUQLS-AWEZNQCLSA-N 0 2 308.447 3.630 20 0 DHADLN O=C([O-])[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)c1ccccc1 ZINC000426770040 600426518 /nfs/dbraw/zinc/42/65/18/600426518.db2.gz OIGOBPCDOKDTJZ-SFHVURJKSA-N 0 2 307.349 3.862 20 0 DHADLN C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000827934705 601442296 /nfs/dbraw/zinc/44/22/96/601442296.db2.gz IKZJUUMBOPJRME-ISVAXAHUSA-N 0 2 306.164 3.553 20 0 DHADLN C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@](F)(C(=O)[O-])C1 ZINC000827934705 601442297 /nfs/dbraw/zinc/44/22/97/601442297.db2.gz IKZJUUMBOPJRME-ISVAXAHUSA-N 0 2 306.164 3.553 20 0 DHADLN Cc1csc([C@@H](C#N)C(=O)CCSc2ccccc2)n1 ZINC000048520389 1013108212 /nfs/dbraw/zinc/10/82/12/1013108212.db2.gz NBRRRYXDVRTYBB-ZDUSSCGKSA-N 0 2 302.424 3.810 20 0 DHADLN Cc1ccc(-c2csc(C[N@@H+]3CCCC[C@H]3C(=O)[O-])n2)cc1 ZINC000568055113 953641525 /nfs/dbraw/zinc/64/15/25/953641525.db2.gz KIXMKDPACSHSBG-HNNXBMFYSA-N 0 2 316.426 3.558 20 0 DHADLN Cc1ccc(-c2csc(C[N@H+]3CCCC[C@H]3C(=O)[O-])n2)cc1 ZINC000568055113 953641540 /nfs/dbraw/zinc/64/15/40/953641540.db2.gz KIXMKDPACSHSBG-HNNXBMFYSA-N 0 2 316.426 3.558 20 0 DHADLN O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(Cl)o1 ZINC000519027019 1013261697 /nfs/dbraw/zinc/26/16/97/1013261697.db2.gz NXTDTEGPJXIAJP-UHFFFAOYSA-N 0 2 323.139 3.624 20 0 DHADLN COc1cccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1F ZINC000655553334 1013393045 /nfs/dbraw/zinc/39/30/45/1013393045.db2.gz IZZGWWPCQNQIFP-UHFFFAOYSA-N 0 2 323.389 3.560 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)s1 ZINC000120691074 1013488901 /nfs/dbraw/zinc/48/89/01/1013488901.db2.gz VEMXSPOSRYQHHP-UHFFFAOYSA-N 0 2 316.473 3.611 20 0 DHADLN O=C([O-])c1ccc(C[NH2+][C@H](CCc2ccccc2)C(F)F)cc1 ZINC000263435306 967891792 /nfs/dbraw/zinc/89/17/92/967891792.db2.gz UGIZAZVITGULKB-MRXNPFEDSA-N 0 2 319.351 3.741 20 0 DHADLN C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cc1occc1C(=O)[O-] ZINC000576046700 974807252 /nfs/dbraw/zinc/80/72/52/974807252.db2.gz YEPPLVLOYPSPKX-JTQLQIEISA-N 0 2 316.382 3.781 20 0 DHADLN C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000576046700 974807256 /nfs/dbraw/zinc/80/72/56/974807256.db2.gz YEPPLVLOYPSPKX-JTQLQIEISA-N 0 2 316.382 3.781 20 0 DHADLN CC(C)n1c2ccccc2[nH+]c1NCc1ccc(C(=O)[O-])cc1 ZINC001592120957 976925160 /nfs/dbraw/zinc/92/51/60/976925160.db2.gz DIFRWIQHDSDDRR-UHFFFAOYSA-N 0 2 309.369 3.928 20 0 DHADLN Cc1cc([C@H]2CCC[N@@H+]2Cc2c(Cl)cccc2C(=O)[O-])no1 ZINC000846236350 979416967 /nfs/dbraw/zinc/41/69/67/979416967.db2.gz RFJCBTKTCQSSJC-OAHLLOKOSA-N 0 2 320.776 3.672 20 0 DHADLN Cc1cc([C@H]2CCC[N@H+]2Cc2c(Cl)cccc2C(=O)[O-])no1 ZINC000846236350 979416969 /nfs/dbraw/zinc/41/69/69/979416969.db2.gz RFJCBTKTCQSSJC-OAHLLOKOSA-N 0 2 320.776 3.672 20 0 DHADLN Cc1cccc([C@@H](C)C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000581243004 1014643667 /nfs/dbraw/zinc/64/36/67/1014643667.db2.gz ZABGHAFRDJJNJY-GFCCVEGCSA-N 0 2 324.359 3.661 20 0 DHADLN CC[C@@]([NH2+]Cc1cc(C)co1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595299292 980426048 /nfs/dbraw/zinc/42/60/48/980426048.db2.gz OPWQNMGYIAVGIA-INIZCTEOSA-N 0 2 307.777 3.721 20 0 DHADLN C[C@H]([NH2+]c1ccc(N2CCCCC2)c(C(=O)[O-])c1)[C@@H]1CC1(F)F ZINC000901774375 980504327 /nfs/dbraw/zinc/50/43/27/980504327.db2.gz HZMSEVKCJJTEOO-FZMZJTMJSA-N 0 2 324.371 3.831 20 0 DHADLN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1ccnn1C(C)C ZINC001595362347 980770167 /nfs/dbraw/zinc/77/01/67/980770167.db2.gz BJWYGIJUDSOYHD-QGZVFWFLSA-N 0 2 315.417 3.502 20 0 DHADLN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1ccnn1C(C)C ZINC001595362347 980770170 /nfs/dbraw/zinc/77/01/70/980770170.db2.gz BJWYGIJUDSOYHD-QGZVFWFLSA-N 0 2 315.417 3.502 20 0 DHADLN CCc1oc(C[NH2+]C2(c3nccs3)CCCC2)cc1C(=O)[O-] ZINC000902284473 980817327 /nfs/dbraw/zinc/81/73/27/980817327.db2.gz XLUMFDBGMIYYRN-UHFFFAOYSA-N 0 2 320.414 3.556 20 0 DHADLN Cc1cc(C[NH2+]C2(c3ccccc3Cl)CC2)oc1C(=O)[O-] ZINC000902363741 980853013 /nfs/dbraw/zinc/85/30/13/980853013.db2.gz KUZIKQKAZDRCMU-UHFFFAOYSA-N 0 2 305.761 3.719 20 0 DHADLN CC[C@@H](C)[C@H](C(=O)[O-])[N@@H+]1CCn2c(cc3c2cccc3Cl)C1 ZINC001594873562 982194982 /nfs/dbraw/zinc/19/49/82/982194982.db2.gz NUCAACNBVSVETE-BDJLRTHQSA-N 0 2 320.820 3.610 20 0 DHADLN CC[C@@H](C)[C@H](C(=O)[O-])[N@H+]1CCn2c(cc3c2cccc3Cl)C1 ZINC001594873562 982194986 /nfs/dbraw/zinc/19/49/86/982194986.db2.gz NUCAACNBVSVETE-BDJLRTHQSA-N 0 2 320.820 3.610 20 0 DHADLN CCNc1cc(C)ccc1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000191373894 1014977443 /nfs/dbraw/zinc/97/74/43/1014977443.db2.gz CFWLZDNENVYKAB-UHFFFAOYSA-N 0 2 306.312 3.663 20 0 DHADLN C[C@@H]1Oc2ccccc2[C@@H]1[NH2+][C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC001594655161 986888437 /nfs/dbraw/zinc/88/84/37/986888437.db2.gz NAPAPSIOWGWPAO-JQAFLVLXSA-N 0 2 317.772 3.578 20 0 DHADLN C[C@@H](C(=O)[O-])[N@H+](Cc1csc(-c2ccccc2)n1)C1CCC1 ZINC001589487301 987046279 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CCc1ccc(C[NH2+][C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)nc1 ZINC001597530052 988178986 /nfs/dbraw/zinc/17/89/86/988178986.db2.gz BQFSHLLUQFSBOG-VLIAUNLRSA-N 0 2 324.424 3.611 20 0 DHADLN CCc1oc(C[N@@H+]2CCc3cc(Cl)ccc3C2)cc1C(=O)[O-] ZINC001597799123 989377761 /nfs/dbraw/zinc/37/77/61/989377761.db2.gz NBAPAQVBUNPSMT-UHFFFAOYSA-N 0 2 319.788 3.752 20 0 DHADLN CCc1oc(C[N@H+]2CCc3cc(Cl)ccc3C2)cc1C(=O)[O-] ZINC001597799123 989377767 /nfs/dbraw/zinc/37/77/67/989377767.db2.gz NBAPAQVBUNPSMT-UHFFFAOYSA-N 0 2 319.788 3.752 20 0 DHADLN CC(C)[N@H+](Cc1ccccc1F)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001591603671 992836640 /nfs/dbraw/zinc/83/66/40/992836640.db2.gz MHPGUXMWETUKKN-LLVKDONJSA-N 0 2 322.405 3.952 20 0 DHADLN CC(C)[N@@H+](Cc1ccccc1F)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001591603671 992836644 /nfs/dbraw/zinc/83/66/44/992836644.db2.gz MHPGUXMWETUKKN-LLVKDONJSA-N 0 2 322.405 3.952 20 0 DHADLN Cc1ccc(S(O)=CC(=O)N(CC(C)C)CC(C)C)cc1C ZINC000341791178 1015737505 /nfs/dbraw/zinc/73/75/05/1015737505.db2.gz PINPHICZYHZKDJ-JOCHJYFZSA-N 0 2 323.502 3.552 20 0 DHADLN C[C@H]([NH2+]Cc1ccc(C2CC2)cc1F)c1ncc(C(=O)[O-])s1 ZINC001593295193 994689971 /nfs/dbraw/zinc/68/99/71/994689971.db2.gz BEEDAIPRZWAJGD-VIFPVBQESA-N 0 2 320.389 3.709 20 0 DHADLN CC(C)[C@H](C(=O)NO[C@H]1CCCCO1)c1cccc(Cl)c1 ZINC000176323307 1016011577 /nfs/dbraw/zinc/01/15/77/1016011577.db2.gz WGRWEQMPPCBFAT-GJZGRUSLSA-N 0 2 311.809 3.654 20 0 DHADLN O=C([O-])c1c(-c2cccc(C(F)(F)F)c2)[nH+]c2n1CCCC2 ZINC000657204788 1016034883 /nfs/dbraw/zinc/03/48/83/1016034883.db2.gz YWSGZJLBCFIFKZ-UHFFFAOYSA-N 0 2 310.275 3.603 20 0 DHADLN CC1(C)C[N@H+](Cc2ccc(C(=O)[O-])cc2F)[C@H]1c1ccncc1 ZINC001593942637 996969995 /nfs/dbraw/zinc/96/99/95/996969995.db2.gz NHFGJQYKQRHRNU-INIZCTEOSA-N 0 2 314.360 3.502 20 0 DHADLN CC1(C)C[N@@H+](Cc2ccc(C(=O)[O-])cc2F)[C@H]1c1ccncc1 ZINC001593942637 996970013 /nfs/dbraw/zinc/97/00/13/996970013.db2.gz NHFGJQYKQRHRNU-INIZCTEOSA-N 0 2 314.360 3.502 20 0 DHADLN COc1cc(C)[nH+]c(CSCc2ccc(C(=O)[O-])s2)c1 ZINC001599394702 997104338 /nfs/dbraw/zinc/10/43/38/997104338.db2.gz VLDIXGZNVLADTR-UHFFFAOYSA-N 0 2 309.412 3.592 20 0 DHADLN O=C(C(F)C(F)(F)F)N(Cc1ccco1)Cc1cccs1 ZINC000277464065 1016342968 /nfs/dbraw/zinc/34/29/68/1016342968.db2.gz PEINGTOUHKKIIZ-NSHDSACASA-N 0 2 321.295 3.770 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N(Cc1ccco1)Cc1cccs1 ZINC000277464065 1016342981 /nfs/dbraw/zinc/34/29/81/1016342981.db2.gz PEINGTOUHKKIIZ-NSHDSACASA-N 0 2 321.295 3.770 20 0 DHADLN O=C(C(F)C(F)(F)F)N(Cc1ccco1)Cc1ccccc1 ZINC000277483257 1016384262 /nfs/dbraw/zinc/38/42/62/1016384262.db2.gz QPCQDUQCAKPNQR-ZDUSSCGKSA-N 0 2 315.266 3.709 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N(Cc1ccco1)Cc1ccccc1 ZINC000277483257 1016384277 /nfs/dbraw/zinc/38/42/77/1016384277.db2.gz QPCQDUQCAKPNQR-ZDUSSCGKSA-N 0 2 315.266 3.709 20 0 DHADLN Cc1ccc(CN(C)C(=O)c2cc(F)c(O)c(F)c2)cc1C ZINC000622671347 1016519459 /nfs/dbraw/zinc/51/94/59/1016519459.db2.gz KGSRZTZFEYXIGI-UHFFFAOYSA-N 0 2 305.324 3.559 20 0 DHADLN Cc1c(NC(=O)c2ccc3[nH]nnc3c2)cccc1C(F)(F)F 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Cc1cc([C@@H](NC(=O)C(F)C(F)(F)F)C2CC2)ccc1F ZINC000291205521 1012954733 /nfs/dbraw/zinc/95/47/33/1012954733.db2.gz FFYZBVDILFGTNG-NWDGAFQWSA-N 0 2 307.262 3.602 20 0 DHADLN Cc1cc([C@@H](NC(=O)[C@@H](F)C(F)(F)F)C2CC2)ccc1F ZINC000291205521 1012954742 /nfs/dbraw/zinc/95/47/42/1012954742.db2.gz FFYZBVDILFGTNG-NWDGAFQWSA-N 0 2 307.262 3.602 20 0 DHADLN Cc1cc(F)cc(S(=O)(=O)Nc2nc3ccccc3s2)c1 ZINC000476916910 1032676317 /nfs/dbraw/zinc/67/63/17/1032676317.db2.gz UORPLKNLFNIEHQ-UHFFFAOYSA-N 0 2 322.386 3.545 20 0 DHADLN CC(C)[C@H]1OCC[C@@H]1C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000277799191 1017184579 /nfs/dbraw/zinc/18/45/79/1017184579.db2.gz UBTGEAZSIAZFSK-TVQRCGJNSA-N 0 2 318.200 3.699 20 0 DHADLN Cc1cc(F)ccc1S(=O)(=O)Nc1nccc2sccc21 ZINC000182022463 1017850218 /nfs/dbraw/zinc/85/02/18/1017850218.db2.gz INWVUVWGQMOMFB-UHFFFAOYSA-N 0 2 322.386 3.545 20 0 DHADLN CSc1cc[nH+]cc1[N-]C(=O)c1cc(-c2cccs2)on1 ZINC000674257588 1017905089 /nfs/dbraw/zinc/90/50/89/1017905089.db2.gz XVXITBNTHWCIMW-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/47/88/88/1019478888.db2.gz GRDPDFKLZOFJEZ-UHFFFAOYSA-N 0 2 311.715 3.596 20 0 DHADLN CC[C@H](C)c1ccc(S(=O)(=O)Nc2cnn(C(C)C)c2)cc1 ZINC000066585535 1019954023 /nfs/dbraw/zinc/95/40/23/1019954023.db2.gz XPMGHEIRESYAQF-ZDUSSCGKSA-N 0 2 321.446 3.778 20 0 DHADLN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c(O)cc(F)cc1F ZINC000176520439 1020311939 /nfs/dbraw/zinc/31/19/39/1020311939.db2.gz BLTSQRDFVGQTKI-RISCZKNCSA-N 0 2 317.335 3.689 20 0 DHADLN CC(C)Oc1cccc([C@H](C)Nc2ccc(C(=O)[O-])c[nH+]2)c1 ZINC000647448582 1020435183 /nfs/dbraw/zinc/43/51/83/1020435183.db2.gz QXMSFULRYBGIFL-LBPRGKRZSA-N 0 2 300.358 3.740 20 0 DHADLN O=C([O-])c1ccc[nH+]c1N1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000647454414 1020436069 /nfs/dbraw/zinc/43/60/69/1020436069.db2.gz OSKATUMHBZPWPE-MUJYYYPQSA-N 0 2 308.381 3.695 20 0 DHADLN C[C@H](CC(=O)Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1CCCO1 ZINC000613160597 1020837528 /nfs/dbraw/zinc/83/75/28/1020837528.db2.gz SGLJKBICTATROX-PELKAZGASA-N 0 2 318.200 3.843 20 0 DHADLN CC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140833078 1021100064 /nfs/dbraw/zinc/10/00/64/1021100064.db2.gz ONTORIPKLQUNMB-NSHDSACASA-N 0 2 302.201 3.500 20 0 DHADLN CC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)c([O-])c(Cl)c2)C1 ZINC001140833078 1021100065 /nfs/dbraw/zinc/10/00/65/1021100065.db2.gz ONTORIPKLQUNMB-NSHDSACASA-N 0 2 302.201 3.500 20 0 DHADLN C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)C(F)C(F)(F)F ZINC000843628152 1021106820 /nfs/dbraw/zinc/10/68/20/1021106820.db2.gz OLGQPYMRBMMYQI-JSGCOSHPSA-N 0 2 321.289 3.650 20 0 DHADLN C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)[C@H](F)C(F)(F)F ZINC000843628152 1021106824 /nfs/dbraw/zinc/10/68/24/1021106824.db2.gz OLGQPYMRBMMYQI-JSGCOSHPSA-N 0 2 321.289 3.650 20 0 DHADLN Cc1ccc(/C=C\S(=O)(=O)Nc2ncc(C(C)C)s2)cc1 ZINC000743050394 1021210001 /nfs/dbraw/zinc/21/00/01/1021210001.db2.gz QOBAZLBQRGZCMH-HJWRWDBZSA-N 0 2 322.455 3.988 20 0 DHADLN Cc1ccc(/C=C/S(=O)(=O)Nc2ncc(C(C)C)s2)cc1 ZINC000743050393 1021210299 /nfs/dbraw/zinc/21/02/99/1021210299.db2.gz 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CC[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](F)C(F)(F)F ZINC000810414241 1026756284 /nfs/dbraw/zinc/75/62/84/1026756284.db2.gz ZFWTZEDASRRLRD-GHMZBOCLSA-N 0 2 311.706 3.678 20 0 DHADLN CCc1ccc([C@@H](NC(=O)C(F)C(F)(F)F)C(C)C)cc1 ZINC000810418085 1026758693 /nfs/dbraw/zinc/75/86/93/1026758693.db2.gz OANBLJDDLBYXSS-STQMWFEESA-N 0 2 305.315 3.963 20 0 DHADLN CCc1ccc([C@@H](NC(=O)[C@H](F)C(F)(F)F)C(C)C)cc1 ZINC000810418085 1026758706 /nfs/dbraw/zinc/75/87/06/1026758706.db2.gz OANBLJDDLBYXSS-STQMWFEESA-N 0 2 305.315 3.963 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCCC[C@H]1CCc1ccccc1 ZINC000810783858 1026847307 /nfs/dbraw/zinc/84/73/07/1026847307.db2.gz HXBDHCFSQXWOAA-UONOGXRCSA-N 0 2 317.326 3.901 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCCC[C@H]1CCc1ccccc1 ZINC000810783858 1026847314 /nfs/dbraw/zinc/84/73/14/1026847314.db2.gz HXBDHCFSQXWOAA-UONOGXRCSA-N 0 2 317.326 3.901 20 0 DHADLN Cc1c(NC(=O)c2cccc(Cl)c2O)noc1C(C)(C)C ZINC001132461821 1026851732 /nfs/dbraw/zinc/85/17/32/1026851732.db2.gz 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Cc1ccc(-c2nc(C[N@H+]([C@H](C)C(=O)[O-])C3CCC3)cs2)o1 ZINC000571658902 1027141119 /nfs/dbraw/zinc/14/11/19/1027141119.db2.gz WFUFNDHSGXGKSE-LLVKDONJSA-N 0 2 320.414 3.539 20 0 DHADLN O=C(Nc1cnccc1C(F)(F)F)c1cccc(Cl)c1O ZINC001133262929 1027255756 /nfs/dbraw/zinc/25/57/56/1027255756.db2.gz WSHHJCGPBIPCCD-UHFFFAOYSA-N 0 2 316.666 3.712 20 0 DHADLN CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000296186442 1027567317 /nfs/dbraw/zinc/56/73/17/1027567317.db2.gz YFDBUBYZDIIDIB-KRWDZBQOSA-N 0 2 317.383 3.593 20 0 DHADLN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)C(F)C(F)(F)F)C1 ZINC000365441330 1027949104 /nfs/dbraw/zinc/94/91/04/1027949104.db2.gz GBZBIHNWJAOOAL-DMDPSCGWSA-N 0 2 303.299 3.600 20 0 DHADLN Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H](F)C(F)(F)F)C1 ZINC000365441330 1027949126 /nfs/dbraw/zinc/94/91/26/1027949126.db2.gz GBZBIHNWJAOOAL-DMDPSCGWSA-N 0 2 303.299 3.600 20 0 DHADLN CCC1(CNc2nc(-c3ccccc3C)ns2)CCOCC1 ZINC000527912479 1027966347 /nfs/dbraw/zinc/96/63/47/1027966347.db2.gz IKYLBGMFJGVJDZ-UHFFFAOYSA-N 0 2 317.458 3.554 20 0 DHADLN COC1CCC(CNc2nc(-c3ccccc3C)ns2)CC1 ZINC000527917490 1027969239 /nfs/dbraw/zinc/96/92/39/1027969239.db2.gz XJSPGJBJFNANHG-UHFFFAOYSA-N 0 2 317.458 3.553 20 0 DHADLN Cc1oc([C@@H](C)[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1C(=O)[O-] ZINC000578076507 1028041826 /nfs/dbraw/zinc/04/18/26/1028041826.db2.gz LHHAXJZCWBTYIE-LLVKDONJSA-N 0 2 324.380 3.887 20 0 DHADLN Cc1oc([C@@H](C)[N@H+]2CCc3[nH]c4ccccc4c3C2)cc1C(=O)[O-] ZINC000578076507 1028041833 /nfs/dbraw/zinc/04/18/33/1028041833.db2.gz LHHAXJZCWBTYIE-LLVKDONJSA-N 0 2 324.380 3.887 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@@H]1CCc1ccccc1 ZINC000368090241 1028294909 /nfs/dbraw/zinc/29/49/09/1028294909.db2.gz QPXDLWFUERZLOP-CHWSQXEVSA-N 0 2 303.299 3.511 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCC[C@@H]1CCc1ccccc1 ZINC000368090241 1028294927 /nfs/dbraw/zinc/29/49/27/1028294927.db2.gz QPXDLWFUERZLOP-CHWSQXEVSA-N 0 2 303.299 3.511 20 0 DHADLN O=C(C(F)C(F)(F)F)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000815134354 1028391384 /nfs/dbraw/zinc/39/13/84/1028391384.db2.gz UUSOXGURNZCYLJ-OLZOCXBDSA-N 0 2 301.283 3.565 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000815134354 1028391407 /nfs/dbraw/zinc/39/14/07/1028391407.db2.gz UUSOXGURNZCYLJ-OLZOCXBDSA-N 0 2 301.283 3.565 20 0 DHADLN O=C(c1cc(F)cc(F)c1O)N1CCCCc2sccc21 ZINC000935789688 1028398820 /nfs/dbraw/zinc/39/88/20/1028398820.db2.gz LKZPTZSJIQRLBO-UHFFFAOYSA-N 0 2 309.337 3.715 20 0 DHADLN Cc1nc(C(C)C)ccc1COC(=O)c1cc(F)c(O)c(F)c1 ZINC000815214827 1028432498 /nfs/dbraw/zinc/43/24/98/1028432498.db2.gz PMSHMLLXGNXXEU-UHFFFAOYSA-N 0 2 321.323 3.854 20 0 DHADLN CC(C)(Cc1ccccc1Cl)NC(=O)C(F)C(F)(F)F ZINC000815379687 1028483975 /nfs/dbraw/zinc/48/39/75/1028483975.db2.gz QXTDMXYTLPLAOZ-SNVBAGLBSA-N 0 2 311.706 3.678 20 0 DHADLN CC(C)(Cc1ccccc1Cl)NC(=O)[C@@H](F)C(F)(F)F ZINC000815379687 1028483987 /nfs/dbraw/zinc/48/39/87/1028483987.db2.gz QXTDMXYTLPLAOZ-SNVBAGLBSA-N 0 2 311.706 3.678 20 0 DHADLN 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BBOOKAACRVPHDN-INIZCTEOSA-N 0 2 323.314 3.937 20 0 DHADLN O=C(Nc1ccc(C(=O)C2CC2)cc1)c1cc(F)c(O)cc1F ZINC001192880162 1038715369 /nfs/dbraw/zinc/71/53/69/1038715369.db2.gz YFNUVISTVFBFTE-UHFFFAOYSA-N 0 2 317.291 3.515 20 0 DHADLN Cc1cc(NC(=O)c2cc(F)c(O)cc2F)cc2scnc21 ZINC001192880190 1038716483 /nfs/dbraw/zinc/71/64/83/1038716483.db2.gz ZPTAILLHMCCIRM-UHFFFAOYSA-N 0 2 320.320 3.841 20 0 DHADLN CC(C)(C)c1ccc(O)c(NC(=O)c2cc(F)c(O)cc2F)c1 ZINC001192880104 1038716640 /nfs/dbraw/zinc/71/66/40/1038716640.db2.gz VUZFWRFOYJNQIC-UHFFFAOYSA-N 0 2 321.323 3.926 20 0 DHADLN Cc1c(C)c(NC(=O)c2cc(F)c(O)cc2F)c(C)c(C)c1N ZINC001192880173 1038716657 /nfs/dbraw/zinc/71/66/57/1038716657.db2.gz YUWWSBRYNPRUEZ-UHFFFAOYSA-N 0 2 320.339 3.739 20 0 DHADLN CCCc1ccc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000598917368 1038942188 /nfs/dbraw/zinc/94/21/88/1038942188.db2.gz PJIDJOGIWZWHAY-UHFFFAOYSA-N 0 2 324.359 3.816 20 0 DHADLN Oc1c(Cl)cccc1-c1nc(Cc2ccccc2F)no1 ZINC000761338967 1039135900 /nfs/dbraw/zinc/13/59/00/1039135900.db2.gz OJGWOZACHREXAP-UHFFFAOYSA-N 0 2 304.708 3.826 20 0 DHADLN CONC(=O)C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000173040166 1040143677 /nfs/dbraw/zinc/14/36/77/1040143677.db2.gz JMJSNGOQEAZYEY-UHFFFAOYSA-N 0 2 301.308 3.585 20 0 DHADLN COCCC[C@@H](C)C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000272180488 536653480 /nfs/dbraw/zinc/65/34/80/536653480.db2.gz LJYIEOSDXUMFBB-MRVPVSSYSA-N 0 2 306.189 3.700 20 0 DHADLN Cc1cc(Cl)ccc1NC(=O)COc1ccc(F)c(F)c1 ZINC000005476363 181248086 /nfs/dbraw/zinc/24/80/86/181248086.db2.gz SRKNHBUSSTUPEJ-UHFFFAOYSA-N 0 2 311.715 3.944 20 0 DHADLN CCc1ccc([C@H]([NH2+]Cc2sccc2Cl)C(=O)[O-])cc1 ZINC000417589082 334999511 /nfs/dbraw/zinc/99/95/11/334999511.db2.gz VFRCTCIFBGCLSO-AWEZNQCLSA-N 0 2 309.818 3.879 20 0 DHADLN CC(C)n1cc(S(=O)(=O)Nc2ccc(C3CCC3)cc2)cn1 ZINC000563778447 335006134 /nfs/dbraw/zinc/00/61/34/335006134.db2.gz HCBPOJROWCBWMG-UHFFFAOYSA-N 0 2 319.430 3.532 20 0 DHADLN CCn1c2ccccc2nc1[C@@H]1CCCN1C(=O)NCC(C)C ZINC000101763718 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O=C(Nc1cc(C2CCCCC2)[nH]n1)c1c(O)cc(F)cc1F ZINC000608367979 435353457 /nfs/dbraw/zinc/35/34/57/435353457.db2.gz ZMTGYBCUPHAZHB-UHFFFAOYSA-N 0 2 321.327 3.694 20 0 DHADLN C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cc(F)c(F)c(O)c1F ZINC000180114127 331561656 /nfs/dbraw/zinc/56/16/56/331561656.db2.gz JVXZXRFJCUASHM-UWVGGRQHSA-N 0 2 323.314 3.732 20 0 DHADLN C[C@H]1CN(Cc2cccc(F)c2F)c2ccccc2N(C)C1=O ZINC000533531938 331574469 /nfs/dbraw/zinc/57/44/69/331574469.db2.gz LGYULZXVCGWQAW-LBPRGKRZSA-N 0 2 316.351 3.584 20 0 DHADLN O=C(c1cc(F)c(F)c(O)c1F)N1CCCCc2ccccc21 ZINC000185858353 331603552 /nfs/dbraw/zinc/60/35/52/331603552.db2.gz JNYRDMFRLRJSDV-UHFFFAOYSA-N 0 2 321.298 3.793 20 0 DHADLN Cc1cc(C)cc(CS(=O)(=O)Nc2cc(C(C)(C)C)no2)c1 ZINC000558588728 331926155 /nfs/dbraw/zinc/92/61/55/331926155.db2.gz DLSYLECGCFIGJD-UHFFFAOYSA-N 0 2 322.430 3.531 20 0 DHADLN O=C([O-])[C@@H]([NH2+]Cc1ccc(Oc2ccccc2)o1)c1ccccc1 ZINC000426770671 331967180 /nfs/dbraw/zinc/96/71/80/331967180.db2.gz UTGJOSSPPWICAU-SFHVURJKSA-N 0 2 323.348 3.987 20 0 DHADLN CCC(CC)C(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000518368437 332018529 /nfs/dbraw/zinc/01/85/29/332018529.db2.gz MMVLBMYPKXJZGV-UHFFFAOYSA-N 0 2 309.822 3.655 20 0 DHADLN O=C(CCc1ccccn1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000130161567 332022423 /nfs/dbraw/zinc/02/24/23/332022423.db2.gz SGWUCGKTOCTXIM-UHFFFAOYSA-N 0 2 311.168 3.665 20 0 DHADLN O=C([O-])[C@@H]([NH2+]Cc1cc2cc(F)ccc2o1)c1ccccc1F ZINC000426799190 332155141 /nfs/dbraw/zinc/15/51/41/332155141.db2.gz KIKAHFXPCXZOIN-INIZCTEOSA-N 0 2 317.291 3.627 20 0 DHADLN C[C@@H]1CCC[C@H](C[NH2+][C@@H](c2cccs2)c2nnc[nH]2)[C@H]1C ZINC000559842576 332284635 /nfs/dbraw/zinc/28/46/35/332284635.db2.gz KVTAPYVERFVPQW-COMQUAJESA-N 0 2 304.463 3.618 20 0 DHADLN O=C(Nc1ccc(F)c(Cl)c1)c1cc(F)c(O)c(F)c1 ZINC000176997102 332966171 /nfs/dbraw/zinc/96/61/71/332966171.db2.gz ZCUSSHLISAQUJA-UHFFFAOYSA-N 0 2 301.651 3.715 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCc2c(Cl)cccc2C1 ZINC000180048851 333026539 /nfs/dbraw/zinc/02/65/39/333026539.db2.gz TYDLRJCDOYAEBJ-UHFFFAOYSA-N 0 2 323.726 3.522 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N(CC1CC1)c1ccccc1 ZINC000180139827 333027187 /nfs/dbraw/zinc/02/71/87/333027187.db2.gz KPVLYQYYEVLNAD-UHFFFAOYSA-N 0 2 303.308 3.727 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1Cc2ccccc21 ZINC000213364698 333055280 /nfs/dbraw/zinc/05/52/80/333055280.db2.gz GXKOHALNIGNHEI-LLVKDONJSA-N 0 2 308.164 3.977 20 0 DHADLN CC(C)Oc1ccccc1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000183406026 333057420 /nfs/dbraw/zinc/05/74/20/333057420.db2.gz LTUOIHQJDBEMPI-UHFFFAOYSA-N 0 2 307.296 3.710 20 0 DHADLN CC[C@@H]1c2ccsc2CCN1C(=O)c1cc(F)c(O)c(F)c1 ZINC000183399512 333057539 /nfs/dbraw/zinc/05/75/39/333057539.db2.gz NJQVNLDVNFPZJE-CYBMUJFWSA-N 0 2 323.364 3.882 20 0 DHADLN Cc1cccc([C@H]2CCCN2C(=O)c2cc(F)c(O)c(F)c2)c1 ZINC000183456232 333058037 /nfs/dbraw/zinc/05/80/37/333058037.db2.gz YEOHHPGBGMNOAH-MRXNPFEDSA-N 0 2 317.335 3.956 20 0 DHADLN CCOc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390565721 333300827 /nfs/dbraw/zinc/30/08/27/333300827.db2.gz PFLDSVYMBOLKQW-FQEVSTJZSA-N 0 2 324.468 3.840 20 0 DHADLN COc1ccc(C)cc1C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390596217 333304444 /nfs/dbraw/zinc/30/44/44/333304444.db2.gz SUYJNLBLLLRUGV-HXUWFJFHSA-N 0 2 324.468 3.758 20 0 DHADLN COc1ccc(C)cc1C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390596216 333304641 /nfs/dbraw/zinc/30/46/41/333304641.db2.gz SUYJNLBLLLRUGV-FQEVSTJZSA-N 0 2 324.468 3.758 20 0 DHADLN CC(C)(C)c1nc(=NCCCCOCc2ccccc2)s[nH]1 ZINC000390707697 333316557 /nfs/dbraw/zinc/31/65/57/333316557.db2.gz SJPYRKVILKWKGW-UHFFFAOYSA-N 0 2 319.474 3.666 20 0 DHADLN O=C(NCc1cccc(Cl)c1)c1cc(F)c(O)c(Cl)c1 ZINC000184172381 333342972 /nfs/dbraw/zinc/34/29/72/333342972.db2.gz PGNLFAZVSCYHLN-UHFFFAOYSA-N 0 2 314.143 3.768 20 0 DHADLN C[C@H](CCc1ccccc1)NC(=O)c1cc(F)c(O)c(Cl)c1 ZINC000184170787 333343058 /nfs/dbraw/zinc/34/30/58/333343058.db2.gz HWGUIBLTKKEJBZ-LLVKDONJSA-N 0 2 321.779 3.936 20 0 DHADLN O=C(Nc1ccc2ncccc2c1)c1cc(F)c(O)c(Cl)c1 ZINC000184269694 333352710 /nfs/dbraw/zinc/35/27/10/333352710.db2.gz FPMQWUCYOUQHJA-UHFFFAOYSA-N 0 2 316.719 3.985 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2ccc3ccoc3c2)c(F)c1 ZINC000442820846 335154387 /nfs/dbraw/zinc/15/43/87/335154387.db2.gz AMKBYBYRFQBAOZ-UHFFFAOYSA-N 0 2 305.330 3.681 20 0 DHADLN Cc1ccc(C)c([C@H]2CCCN2C(=O)[C@H](F)C(F)(F)F)c1 ZINC000278404278 334096065 /nfs/dbraw/zinc/09/60/65/334096065.db2.gz OZKSRYYBYKTUJN-OLZOCXBDSA-N 0 2 303.299 3.867 20 0 DHADLN Cc1ccc(C)c([C@H]2CCCN2C(=O)C(F)C(F)(F)F)c1 ZINC000278404278 334096066 /nfs/dbraw/zinc/09/60/66/334096066.db2.gz OZKSRYYBYKTUJN-OLZOCXBDSA-N 0 2 303.299 3.867 20 0 DHADLN CC(C)CO[C@H](C)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000546617257 334364907 /nfs/dbraw/zinc/36/49/07/334364907.db2.gz PEJYVHWSYYKCQS-MRVPVSSYSA-N 0 2 306.189 3.699 20 0 DHADLN Cc1nc(=N[C@H](C)c2ccc(Oc3cccnc3)cc2)s[nH]1 ZINC000340796355 334386189 /nfs/dbraw/zinc/38/61/89/334386189.db2.gz LEAACDSUSKHXDD-LLVKDONJSA-N 0 2 312.398 3.629 20 0 DHADLN Cc1ncoc1C(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl ZINC000344926278 335285982 /nfs/dbraw/zinc/28/59/82/335285982.db2.gz BRVOACWKXNVCOG-UHFFFAOYSA-N 0 2 321.547 3.901 20 0 DHADLN CCCOc1cc(C)ccc1NS(=O)(=O)c1cc(C)oc1C ZINC000345127926 335303611 /nfs/dbraw/zinc/30/36/11/335303611.db2.gz UXORCWIAGGIKRA-UHFFFAOYSA-N 0 2 323.414 3.794 20 0 DHADLN CCC1CCC(N(C)C(=O)c2cc(F)c(F)c(O)c2F)CC1 ZINC000348654961 335602094 /nfs/dbraw/zinc/60/20/94/335602094.db2.gz YROPVPDVMODBKM-UHFFFAOYSA-N 0 2 315.335 3.850 20 0 DHADLN CCN(Cc1nc(=O)c2sccc2[nH]1)c1ccc2[nH]ccc2c1 ZINC000349945662 335711875 /nfs/dbraw/zinc/71/18/75/335711875.db2.gz NNTUQYBHJNRTLP-UHFFFAOYSA-N 0 2 324.409 3.905 20 0 DHADLN CCc1cnc(NS(=O)(=O)c2csc3ccccc32)s1 ZINC000350100277 335724723 /nfs/dbraw/zinc/72/47/23/335724723.db2.gz RSUDNCPKKKMCOC-UHFFFAOYSA-N 0 2 324.452 3.721 20 0 DHADLN O=S(=O)(Nc1ncccc1-c1ccccc1)c1ccsc1 ZINC000350145931 335730903 /nfs/dbraw/zinc/73/09/03/335730903.db2.gz YOGAVMSVJMBKLH-UHFFFAOYSA-N 0 2 316.407 3.611 20 0 DHADLN O=S(=O)(Nc1cncc2ccccc21)c1ccc(Cl)s1 ZINC000536181976 335828792 /nfs/dbraw/zinc/82/87/92/335828792.db2.gz GPOKRZFVRJXUDO-UHFFFAOYSA-N 0 2 324.814 3.751 20 0 DHADLN COc1ccc(F)c(NC(=O)c2cc(F)cc(Cl)c2O)c1 ZINC000158833680 338507723 /nfs/dbraw/zinc/50/77/23/338507723.db2.gz TZKYEIQZPFZVBF-UHFFFAOYSA-N 0 2 313.687 3.585 20 0 DHADLN CC(C)c1noc(N[C@@H](c2cccc(F)c2)c2ccccn2)n1 ZINC000301859439 336334724 /nfs/dbraw/zinc/33/47/24/336334724.db2.gz DEIIRVDJQPXDBC-HNNXBMFYSA-N 0 2 312.348 3.929 20 0 DHADLN Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1nccn1-c1ccccc1 ZINC000377869581 337062996 /nfs/dbraw/zinc/06/29/96/337062996.db2.gz PRWBGIFSVDABAP-QGZVFWFLSA-N 0 2 320.440 3.859 20 0 DHADLN Cc1cc(C)cc([C@@H]2CCN(C(=O)[C@H](F)C(F)(F)F)C2)c1 ZINC000378127522 337066785 /nfs/dbraw/zinc/06/67/85/337066785.db2.gz HNCWFIJAEOOVLE-YPMHNXCESA-N 0 2 303.299 3.520 20 0 DHADLN Cc1cc(C)cc([C@@H]2CCN(C(=O)C(F)C(F)(F)F)C2)c1 ZINC000378127522 337066786 /nfs/dbraw/zinc/06/67/86/337066786.db2.gz HNCWFIJAEOOVLE-YPMHNXCESA-N 0 2 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ZINC000832995601 601637673 /nfs/dbraw/zinc/63/76/73/601637673.db2.gz GMBPTAJISVFAMV-UHFFFAOYSA-N 0 2 316.401 3.656 20 0 DHADLN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CCc2ccc(F)c(F)c2C1 ZINC000833031720 604679868 /nfs/dbraw/zinc/67/98/68/604679868.db2.gz NJSCFFYDHUPFGJ-UHFFFAOYSA-N 0 2 323.364 3.591 20 0 DHADLN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCc2ccc(F)c(F)c2C1 ZINC000833031720 604679872 /nfs/dbraw/zinc/67/98/72/604679872.db2.gz NJSCFFYDHUPFGJ-UHFFFAOYSA-N 0 2 323.364 3.591 20 0 DHADLN C[C@@H](c1cc(F)ccc1F)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1F ZINC000833547175 605829944 /nfs/dbraw/zinc/82/99/44/605829944.db2.gz QUFNRMICCKBMOU-JTQLQIEISA-N 0 2 323.314 3.995 20 0 DHADLN C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1cc(C(=O)[O-])ccc1F ZINC000833547175 605829943 /nfs/dbraw/zinc/82/99/43/605829943.db2.gz QUFNRMICCKBMOU-JTQLQIEISA-N 0 2 323.314 3.995 20 0 DHADLN c1[nH]c2ccc(Nc3cc[nH+]cc3Oc3ccccc3)cc2[nH+]1 ZINC001209841352 1013393411 /nfs/dbraw/zinc/39/34/11/1013393411.db2.gz KDRNOMIHSXBANA-UHFFFAOYSA-N 0 2 302.337 3.916 20 0 DHADLN O=C([O-])c1c(-c2csc(C(F)(F)F)c2)[nH+]c2n1CCCC2 ZINC000630574008 1013668436 /nfs/dbraw/zinc/66/84/36/1013668436.db2.gz MNSSWZHFSFMGFF-UHFFFAOYSA-N 0 2 316.304 3.665 20 0 DHADLN C[C@H]1CCCC[C@H]1CC(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000520359972 1013722234 /nfs/dbraw/zinc/72/22/34/1013722234.db2.gz JCSXPJJUZFVMAA-JSGCOSHPSA-N 0 2 315.442 3.782 20 0 DHADLN Cc1ccccc1C[C@H](C)N(C)C(=O)c1c(O)cc(F)cc1F ZINC000683647872 1013806901 /nfs/dbraw/zinc/80/69/01/1013806901.db2.gz MRGHFBPQABGXCD-LBPRGKRZSA-N 0 2 319.351 3.682 20 0 DHADLN C[C@@H]1CC[C@H](CCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)O1 ZINC000155515527 1013888454 /nfs/dbraw/zinc/88/84/54/1013888454.db2.gz CHKZGBXDBYBTIB-PSASIEDQSA-N 0 2 318.200 3.985 20 0 DHADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@H]1CC1(Cl)Cl ZINC000155528011 1013899643 /nfs/dbraw/zinc/89/96/43/1013899643.db2.gz LJMFGPNCIGHHGI-RXMQYKEDSA-N 0 2 314.983 3.831 20 0 DHADLN Cc1cc(N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)nc(C2CCC2)[nH+]1 ZINC001605213460 972956266 /nfs/dbraw/zinc/95/62/66/972956266.db2.gz LCFRTSTVZVFZDA-FPMFFAJLSA-N 0 2 317.433 3.600 20 0 DHADLN C[C@H](c1nc2ccccc2s1)[N@H+](C)Cc1occc1C(=O)[O-] ZINC000576046701 974807090 /nfs/dbraw/zinc/80/70/90/974807090.db2.gz YEPPLVLOYPSPKX-SNVBAGLBSA-N 0 2 316.382 3.781 20 0 DHADLN C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cc1occc1C(=O)[O-] ZINC000576046701 974807096 /nfs/dbraw/zinc/80/70/96/974807096.db2.gz YEPPLVLOYPSPKX-SNVBAGLBSA-N 0 2 316.382 3.781 20 0 DHADLN Cc1ccc(C[NH2+][C@H](C)c2ncc(C(=O)[O-])s2)c(Cl)c1 ZINC000580896098 974902054 /nfs/dbraw/zinc/90/20/54/974902054.db2.gz RVVQJFCEKBLSPM-SECBINFHSA-N 0 2 310.806 3.654 20 0 DHADLN CC(C)Oc1ccc[nH+]c1NCc1ccc(C(=O)[O-])c(Cl)c1 ZINC001591803631 976024351 /nfs/dbraw/zinc/02/43/51/976024351.db2.gz PQTAWTBDNVTZOA-UHFFFAOYSA-N 0 2 320.776 3.833 20 0 DHADLN C[C@@H]1CCC[C@H](CC(=O)N=c2nc(-c3ccsc3)[nH]s2)C1 ZINC000520967132 1014623117 /nfs/dbraw/zinc/62/31/17/1014623117.db2.gz GSRWYIFEDLKJOP-MNOVXSKESA-N 0 2 321.471 3.843 20 0 DHADLN CC(C)c1cnc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000901592938 980398620 /nfs/dbraw/zinc/39/86/20/980398620.db2.gz VPKRAAZJCDWCDP-UHFFFAOYSA-N 0 2 304.415 3.597 20 0 DHADLN CC(C)c1cnc(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000901592938 980398615 /nfs/dbraw/zinc/39/86/15/980398615.db2.gz VPKRAAZJCDWCDP-UHFFFAOYSA-N 0 2 304.415 3.597 20 0 DHADLN CC(C)(C)c1csc(C[NH2+]Cc2ccc(C(=O)[O-])cc2F)n1 ZINC000901758916 980489687 /nfs/dbraw/zinc/48/96/87/980489687.db2.gz OGQDGFYBXXSPFW-UHFFFAOYSA-N 0 2 322.405 3.568 20 0 DHADLN O=C(CCC1CCCCC1)N=c1nc(-c2ccsc2)[nH]s1 ZINC000521835933 1014818211 /nfs/dbraw/zinc/81/82/11/1014818211.db2.gz ZYSJTYPJCWDETI-UHFFFAOYSA-N 0 2 321.471 3.988 20 0 DHADLN Cc1oc(C[N@H+](C)Cc2cc(C(F)(F)F)co2)cc1C(=O)[O-] ZINC001119066875 982975196 /nfs/dbraw/zinc/97/51/96/982975196.db2.gz UTTKUHWCZDGVMC-UHFFFAOYSA-N 0 2 317.263 3.530 20 0 DHADLN Cc1oc(C[N@@H+](C)Cc2cc(C(F)(F)F)co2)cc1C(=O)[O-] ZINC001119066875 982975202 /nfs/dbraw/zinc/97/52/02/982975202.db2.gz UTTKUHWCZDGVMC-UHFFFAOYSA-N 0 2 317.263 3.530 20 0 DHADLN CCCC[C@H](CC)C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000614689399 1014903475 /nfs/dbraw/zinc/90/34/75/1014903475.db2.gz SCKAOPWSSUXYPJ-LBPRGKRZSA-N 0 2 303.431 3.782 20 0 DHADLN CCN(CC)c1ccc(N[C@H](C)c2cc(C(=O)[O-])cs2)c[nH+]1 ZINC001596287992 983707395 /nfs/dbraw/zinc/70/73/95/983707395.db2.gz CYIGVPVHXQSOLW-LLVKDONJSA-N 0 2 319.430 3.861 20 0 DHADLN CCSCc1cc[nH+]c(N[C@@H]2CC[C@H](CC(=O)[O-])[C@H]2C)c1 ZINC001597267202 987300950 /nfs/dbraw/zinc/30/09/50/987300950.db2.gz HEZKTUQXGXONQF-MRVWCRGKSA-N 0 2 308.447 3.636 20 0 DHADLN CCc1[nH]c(C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC001597380803 987579998 /nfs/dbraw/zinc/57/99/98/987579998.db2.gz YUVBVZBJBJUIAF-JTQLQIEISA-N 0 2 322.355 3.747 20 0 DHADLN CCc1[nH]c(C[N@@H+](C)[C@@H](C)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC001597380803 987580004 /nfs/dbraw/zinc/58/00/04/987580004.db2.gz YUVBVZBJBJUIAF-JTQLQIEISA-N 0 2 322.355 3.747 20 0 DHADLN CS[C@@H]1CC[C@H]1[NH2+]c1ccc(N2CCCCC2)c(C(=O)[O-])c1 ZINC001599788969 987974809 /nfs/dbraw/zinc/97/48/09/987974809.db2.gz LUJKWDMUFOWDHV-GDBMZVCRSA-N 0 2 320.458 3.681 20 0 DHADLN CCc1cccc2cc(C[NH2+][C@@H](C(=O)[O-])c3cccs3)oc21 ZINC001597603565 988469328 /nfs/dbraw/zinc/46/93/28/988469328.db2.gz ITQMFCLLVBYNPG-OAHLLOKOSA-N 0 2 315.394 3.972 20 0 DHADLN CSc1ccccc1C[N@H+](C)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599824050 988566644 /nfs/dbraw/zinc/56/66/44/988566644.db2.gz OVZYMJBWJLHICY-SNVBAGLBSA-N 0 2 322.455 3.756 20 0 DHADLN CSc1ccccc1C[N@@H+](C)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599824050 988566648 /nfs/dbraw/zinc/56/66/48/988566648.db2.gz OVZYMJBWJLHICY-SNVBAGLBSA-N 0 2 322.455 3.756 20 0 DHADLN C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1cccc(Cl)c1O ZINC001126563518 1015555959 /nfs/dbraw/zinc/55/59/59/1015555959.db2.gz ZWCUICQTLZFPIE-PBHICJAKSA-N 0 2 301.773 3.506 20 0 DHADLN C[N@H+](Cc1ccc2cc[nH]c2c1)[C@@H](C(=O)[O-])c1ccccc1F ZINC001598524892 992706717 /nfs/dbraw/zinc/70/67/17/992706717.db2.gz YNYKGTBSJMOARU-QGZVFWFLSA-N 0 2 312.344 3.565 20 0 DHADLN C[N@@H+](Cc1ccc2cc[nH]c2c1)[C@@H](C(=O)[O-])c1ccccc1F ZINC001598524892 992706726 /nfs/dbraw/zinc/70/67/26/992706726.db2.gz YNYKGTBSJMOARU-QGZVFWFLSA-N 0 2 312.344 3.565 20 0 DHADLN C[N@H+](Cc1cnc(-c2ccccc2)o1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598533001 992808744 /nfs/dbraw/zinc/80/87/44/992808744.db2.gz JQAWGYFIJBBUQX-KRWDZBQOSA-N 0 2 322.364 3.599 20 0 DHADLN C[N@@H+](Cc1cnc(-c2ccccc2)o1)[C@H](C(=O)[O-])c1ccccc1 ZINC001598533001 992808748 /nfs/dbraw/zinc/80/87/48/992808748.db2.gz JQAWGYFIJBBUQX-KRWDZBQOSA-N 0 2 322.364 3.599 20 0 DHADLN COc1ccc([NH2+][C@H]2CCC[C@@H](CCCC(=O)[O-])C2)c(OC)c1 ZINC001599597392 993766698 /nfs/dbraw/zinc/76/66/98/993766698.db2.gz MBMJRVVXTHVUIL-KBPBESRZSA-N 0 2 321.417 3.929 20 0 DHADLN Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2ccsc2C1 ZINC000361859277 1032131894 /nfs/dbraw/zinc/13/18/94/1032131894.db2.gz BOXPGFMAXIIWHT-UHFFFAOYSA-N 0 2 309.438 3.801 20 0 DHADLN C[C@@H](c1ncc(C(=O)[O-])s1)[NH+]1CCC(CC(F)(F)F)CC1 ZINC001593731717 996304293 /nfs/dbraw/zinc/30/42/93/996304293.db2.gz IAFGPPIYUVJCLQ-QMMMGPOBSA-N 0 2 322.352 3.567 20 0 DHADLN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CC(C)(C)[C@H]1c1ccccc1 ZINC001593732333 996310858 /nfs/dbraw/zinc/31/08/58/996310858.db2.gz RWVZSPGDIHLWDK-BXUZGUMPSA-N 0 2 316.426 3.985 20 0 DHADLN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+]1CC(C)(C)[C@H]1c1ccccc1 ZINC001593732333 996310865 /nfs/dbraw/zinc/31/08/65/996310865.db2.gz RWVZSPGDIHLWDK-BXUZGUMPSA-N 0 2 316.426 3.985 20 0 DHADLN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C(F)C(F)(F)F ZINC000277276215 1016129952 /nfs/dbraw/zinc/12/99/52/1016129952.db2.gz AVKMKKVZVPFSHR-VIFPVBQESA-N 0 2 318.097 3.852 20 0 DHADLN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H](F)C(F)(F)F ZINC000277276215 1016129956 /nfs/dbraw/zinc/12/99/56/1016129956.db2.gz AVKMKKVZVPFSHR-VIFPVBQESA-N 0 2 318.097 3.852 20 0 DHADLN O=C(NCc1cc(C2CC2)ccc1F)c1cc(F)c(O)c(F)c1 ZINC000622628704 1016493402 /nfs/dbraw/zinc/49/34/02/1016493402.db2.gz ICLZUZAYEIRYPF-UHFFFAOYSA-N 0 2 321.298 3.617 20 0 DHADLN O=C(N[C@H](C1CCC1)C1CCCC1)c1cc(F)c(O)c(F)c1 ZINC000622737124 1016542300 /nfs/dbraw/zinc/54/23/00/1016542300.db2.gz SFEHZKHUCAYJMT-HNNXBMFYSA-N 0 2 309.356 3.759 20 0 DHADLN O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)C(F)C(F)(F)F ZINC000277709575 1016965451 /nfs/dbraw/zinc/96/54/51/1016965451.db2.gz OTDBSROYPMXXLI-NEPJUHHUSA-N 0 2 307.262 3.684 20 0 DHADLN O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)[C@H](F)C(F)(F)F ZINC000277709575 1016965458 /nfs/dbraw/zinc/96/54/58/1016965458.db2.gz OTDBSROYPMXXLI-NEPJUHHUSA-N 0 2 307.262 3.684 20 0 DHADLN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)C(F)C(F)(F)F)o1 ZINC000277718797 1016979326 /nfs/dbraw/zinc/97/93/26/1016979326.db2.gz PINHUKCPFXQPNL-QRTLGDNMSA-N 0 2 307.287 3.788 20 0 DHADLN Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)[C@H](F)C(F)(F)F)o1 ZINC000277718797 1016979337 /nfs/dbraw/zinc/97/93/37/1016979337.db2.gz PINHUKCPFXQPNL-QRTLGDNMSA-N 0 2 307.287 3.788 20 0 DHADLN CC(C)c1cc(NC(=O)c2cccc(C(F)(F)F)c2O)no1 ZINC001148269356 1032382382 /nfs/dbraw/zinc/38/23/82/1032382382.db2.gz APPKYCMVGYRLRE-UHFFFAOYSA-N 0 2 314.263 3.775 20 0 DHADLN Cc1cc(C)c(C)c(C(=O)CS(=O)(=O)c2ccccc2)c1C ZINC000059133883 1032421045 /nfs/dbraw/zinc/42/10/45/1032421045.db2.gz ABEJMCXXDJCMOP-UHFFFAOYSA-N 0 2 316.422 3.577 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N1CCC[C@H]1CC1CCCC1 ZINC000655363254 1012704592 /nfs/dbraw/zinc/70/45/92/1012704592.db2.gz MCCVRXBTRKPRFE-ZDUSSCGKSA-N 0 2 309.356 3.855 20 0 DHADLN COCCC1(CNc2nc(-c3ccccc3C)ns2)CCC1 ZINC000624036675 1017647170 /nfs/dbraw/zinc/64/71/70/1017647170.db2.gz YSBHSUONLLHGKT-UHFFFAOYSA-N 0 2 317.458 3.554 20 0 DHADLN CC(C)(C)c1nc(SCc2ccn(-c3ccccc3)n2)n[nH]1 ZINC000195205172 1018226851 /nfs/dbraw/zinc/22/68/51/1018226851.db2.gz UQUXOLLUGYYACQ-UHFFFAOYSA-N 0 2 313.430 3.580 20 0 DHADLN Cc1ccc(CN(C(=O)C(F)C(F)(F)F)C2CC2)cc1C ZINC000764566568 1018318655 /nfs/dbraw/zinc/31/86/55/1018318655.db2.gz QPBGVRZUSRXEBX-CYBMUJFWSA-N 0 2 303.299 3.695 20 0 DHADLN Cc1ccc(CN(C(=O)[C@@H](F)C(F)(F)F)C2CC2)cc1C ZINC000764566568 1018318662 /nfs/dbraw/zinc/31/86/62/1018318662.db2.gz QPBGVRZUSRXEBX-CYBMUJFWSA-N 0 2 303.299 3.695 20 0 DHADLN O=C(NCC1(Cc2ccccc2)CCCC1)C(F)C(F)(F)F ZINC000764666345 1018343662 /nfs/dbraw/zinc/34/36/62/1018343662.db2.gz OMFTVPGPSKRFNE-ZDUSSCGKSA-N 0 2 317.326 3.806 20 0 DHADLN O=C(NCC1(Cc2ccccc2)CCCC1)[C@H](F)C(F)(F)F ZINC000764666345 1018343677 /nfs/dbraw/zinc/34/36/77/1018343677.db2.gz OMFTVPGPSKRFNE-ZDUSSCGKSA-N 0 2 317.326 3.806 20 0 DHADLN Cc1cc(C(=O)[O-])ccc1Nc1ccc(N2CCCCC2)[nH+]c1 ZINC001211616378 1019173397 /nfs/dbraw/zinc/17/33/97/1019173397.db2.gz JSVBOOKFNAECNT-UHFFFAOYSA-N 0 2 311.385 3.822 20 0 DHADLN O=C(NC[C@H]1CCCc2ccccc21)c1c(O)cc(F)cc1F ZINC000066044157 1019477010 /nfs/dbraw/zinc/47/70/10/1019477010.db2.gz SCYHAXGGXMVRLJ-GFCCVEGCSA-N 0 2 317.335 3.520 20 0 DHADLN CCCN(Cc1ccccc1)C(=O)c1c(O)cc(F)cc1F ZINC000066043816 1019477652 /nfs/dbraw/zinc/47/76/52/1019477652.db2.gz UQAVPIOVSHQTPA-UHFFFAOYSA-N 0 2 305.324 3.723 20 0 DHADLN CC[C@H](CNC(=O)c1c(O)cc(F)cc1F)c1ccccc1 ZINC000066042377 1019478171 /nfs/dbraw/zinc/47/81/71/1019478171.db2.gz GQEYYJKAXMMYDB-LLVKDONJSA-N 0 2 305.324 3.594 20 0 DHADLN O=C(Nc1ccc(F)cc1)c1cccc(Br)c1O ZINC000139193505 1019628107 /nfs/dbraw/zinc/62/81/07/1019628107.db2.gz GGKYFOQWNSAFIV-UHFFFAOYSA-N 0 2 310.122 3.546 20 0 DHADLN Cc1cnc(NS(=O)(=O)/C=C\c2ccccc2Cl)s1 ZINC000727246639 1019674449 /nfs/dbraw/zinc/67/44/49/1019674449.db2.gz NTOGLGFGMBWCAM-SREVYHEPSA-N 0 2 314.819 3.518 20 0 DHADLN C[C@H](CNc1nc(C2CCCCC2)ns1)c1nccs1 ZINC000562928080 1019744805 /nfs/dbraw/zinc/74/48/05/1019744805.db2.gz SXMAVMTVRMXVJK-SNVBAGLBSA-N 0 2 308.476 3.680 20 0 DHADLN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)c1c(O)cc(F)cc1F ZINC000115721467 1019764322 /nfs/dbraw/zinc/76/43/22/1019764322.db2.gz NOYVENVNFOTRMA-WCQYABFASA-N 0 2 317.335 3.689 20 0 DHADLN Fc1ccc(/C=C\C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1F ZINC000685412081 1019795340 /nfs/dbraw/zinc/79/53/40/1019795340.db2.gz MTEYKSQNSCAUEJ-UPHRSURJSA-N 0 2 303.356 3.512 20 0 DHADLN O=C(Nc1cccc2ccc(O)cc21)c1cc(F)cc(F)c1O ZINC001137700770 1019925021 /nfs/dbraw/zinc/92/50/21/1019925021.db2.gz ZFVFBLPQZGXHEJ-UHFFFAOYSA-N 0 2 315.275 3.782 20 0 DHADLN O=C(NCc1ccccc1Oc1cccc(F)c1)C(F)(F)F ZINC000731017312 1020055876 /nfs/dbraw/zinc/05/58/76/1020055876.db2.gz VHMCLLLQZFDZBY-UHFFFAOYSA-N 0 2 313.250 3.797 20 0 DHADLN O=C(NOCc1ccccc1)c1c(O)cc(Cl)cc1Cl ZINC000177026343 1020212514 /nfs/dbraw/zinc/21/25/14/1020212514.db2.gz DLWMOAYWTAEYJN-UHFFFAOYSA-N 0 2 312.152 3.561 20 0 DHADLN CCN(CCC(F)(F)F)C(=O)c1cc(F)cc(Cl)c1O ZINC000673924919 1020552675 /nfs/dbraw/zinc/55/26/75/1020552675.db2.gz GIYXWYTWXIWNJC-UHFFFAOYSA-N 0 2 313.678 3.599 20 0 DHADLN CCOc1ccc([C@H](C)NC(=O)c2cc(F)c(O)c(F)c2)cc1 ZINC000673923387 1020553163 /nfs/dbraw/zinc/55/31/63/1020553163.db2.gz DUXSMVZONKJAEV-JTQLQIEISA-N 0 2 321.323 3.560 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)c(F)c1 ZINC000404970029 1020610835 /nfs/dbraw/zinc/61/08/35/1020610835.db2.gz KQUAQYDLDUTYKM-UHFFFAOYSA-N 0 2 317.744 3.727 20 0 DHADLN N#C[C@H](C(=O)CCc1nccs1)c1nc2ccccc2s1 ZINC000066004909 1020645589 /nfs/dbraw/zinc/64/55/89/1020645589.db2.gz WHJAKGQPRDWBKM-SNVBAGLBSA-N 0 2 313.407 3.562 20 0 DHADLN Cc1cccc(CS(=O)(=O)Nc2ncc(C(C)C)s2)c1 ZINC000186594518 1021124780 /nfs/dbraw/zinc/12/47/80/1021124780.db2.gz RBICTAVPHMFIJA-UHFFFAOYSA-N 0 2 310.444 3.517 20 0 DHADLN O=C(Nc1c(F)cc(Cl)cc1F)c1ocnc1C(F)F ZINC001127643080 1021299014 /nfs/dbraw/zinc/29/90/14/1021299014.db2.gz KNRNALGWFDNOQH-UHFFFAOYSA-N 0 2 308.618 3.796 20 0 DHADLN O=C([O-])c1ccc[nH+]c1NCc1ccccc1OC1CCCC1 ZINC000613558952 1021361713 /nfs/dbraw/zinc/36/17/13/1021361713.db2.gz VQLFWHBQECCTLX-UHFFFAOYSA-N 0 2 312.369 3.713 20 0 DHADLN Cc1cc(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)ccc1Cl ZINC000166106795 1021386413 /nfs/dbraw/zinc/38/64/13/1021386413.db2.gz RSVKPEKFQXVPLB-UHFFFAOYSA-N 0 2 306.705 3.515 20 0 DHADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1ccc2ccccc2c1 ZINC000023825612 1021479955 /nfs/dbraw/zinc/47/99/55/1021479955.db2.gz AEFPJQFULWUGCT-UHFFFAOYSA-N 0 2 321.405 3.774 20 0 DHADLN Cc1ccccc1[C@@H](C)N(C)C(=O)c1c(O)cc(F)cc1F ZINC000624034110 1021643744 /nfs/dbraw/zinc/64/37/44/1021643744.db2.gz WXSHDTITBIRJFG-LLVKDONJSA-N 0 2 305.324 3.812 20 0 DHADLN CCC(C)(C)N(C)C(=O)c1cc(F)cc(Br)c1O ZINC000416167482 1022164904 /nfs/dbraw/zinc/16/49/04/1022164904.db2.gz SAWGMTZNPBRIKZ-UHFFFAOYSA-N 0 2 318.186 3.554 20 0 DHADLN CC(C)c1cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)n[nH]1 ZINC000154706366 1022328878 /nfs/dbraw/zinc/32/88/78/1022328878.db2.gz BXIHGZJXNJQQME-UHFFFAOYSA-N 0 2 314.172 3.798 20 0 DHADLN CC[C@@H](CC(C)C)C(=O)Nc1nccc(Br)c1O ZINC001169382474 1022381068 /nfs/dbraw/zinc/38/10/68/1022381068.db2.gz DMLCWMXLJVJDFT-VIFPVBQESA-N 0 2 315.211 3.561 20 0 DHADLN O=C(NCc1cccc2ccccc21)c1c(O)cc(F)cc1F ZINC000620967814 1022478898 /nfs/dbraw/zinc/47/88/98/1022478898.db2.gz JDSAGYDBLZWHMA-UHFFFAOYSA-N 0 2 313.303 3.754 20 0 DHADLN C[C@H]1C[C@H](c2ccsc2)CN1C(=O)c1cc(F)c(O)c(F)c1 ZINC000364011635 1022585131 /nfs/dbraw/zinc/58/51/31/1022585131.db2.gz JBPOIXBOEDJECO-CABZTGNLSA-N 0 2 323.364 3.750 20 0 DHADLN O=C(c1cccc(Cl)c1O)N1CCC(c2ccco2)CC1 ZINC000855291344 1022608884 /nfs/dbraw/zinc/60/88/84/1022608884.db2.gz GPJFCCQZOBVHIH-UHFFFAOYSA-N 0 2 305.761 3.658 20 0 DHADLN CCc1ccc([C@H]([NH2+]Cc2cnc(C(C)C)s2)C(=O)[O-])cc1 ZINC000417589722 1022798477 /nfs/dbraw/zinc/79/84/77/1022798477.db2.gz VZDIUVDGQPPUFZ-HNNXBMFYSA-N 0 2 318.442 3.744 20 0 DHADLN O=C(CSc1cccc(C(F)(F)F)c1)NOCC1CCC1 ZINC000856343778 1022799557 /nfs/dbraw/zinc/79/95/57/1022799557.db2.gz YZVGAGHSGYOATR-UHFFFAOYSA-N 0 2 319.348 3.645 20 0 DHADLN CCCc1csc(NS(=O)(=O)/C=C\c2ccc(C)cc2)n1 ZINC000768015962 1022865904 /nfs/dbraw/zinc/86/59/04/1022865904.db2.gz LNSTXPFLHNCHKV-KTKRTIGZSA-N 0 2 322.455 3.817 20 0 DHADLN CN(C(=O)c1cccc(C(F)(F)F)c1O)c1ccc(F)cc1 ZINC000622318417 1023113416 /nfs/dbraw/zinc/11/34/16/1023113416.db2.gz NLBXBZSGCSIELB-UHFFFAOYSA-N 0 2 313.250 3.827 20 0 DHADLN Cc1cc(-c2noc(-c3cccc(Cl)c3O)n2)ccc1O ZINC000771298067 1023420799 /nfs/dbraw/zinc/42/07/99/1023420799.db2.gz KOICNJPRKAFUEW-UHFFFAOYSA-N 0 2 302.717 3.777 20 0 DHADLN C[C@]1(Cc2ccccc2F)CCCN1C(=O)C(F)C(F)(F)F ZINC000843671856 1023549487 /nfs/dbraw/zinc/54/94/87/1023549487.db2.gz XVIVVUVBVFUIFF-TZMCWYRMSA-N 0 2 321.289 3.650 20 0 DHADLN C[C@]1(Cc2ccccc2F)CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC000843671856 1023549497 /nfs/dbraw/zinc/54/94/97/1023549497.db2.gz XVIVVUVBVFUIFF-TZMCWYRMSA-N 0 2 321.289 3.650 20 0 DHADLN O=C1COc2cc(-c3cc(Cl)c(O)c(Cl)c3)ccc2N1 ZINC001242854114 1023690376 /nfs/dbraw/zinc/69/03/76/1023690376.db2.gz QLBKWSAVIVRMJB-UHFFFAOYSA-N 0 2 310.136 3.697 20 0 DHADLN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1cccc(Cl)c1O ZINC000787496782 1023797914 /nfs/dbraw/zinc/79/79/14/1023797914.db2.gz BVIHOMVNIRGJCN-SNVBAGLBSA-N 0 2 321.726 3.849 20 0 DHADLN CCC[C@H](NC(=O)C(F)C(F)(F)F)c1ccc(F)cc1F ZINC000788303470 1023868192 /nfs/dbraw/zinc/86/81/92/1023868192.db2.gz FLTGQVXHRDPFBN-WDEREUQCSA-N 0 2 313.241 3.823 20 0 DHADLN CCC[C@H](NC(=O)[C@@H](F)C(F)(F)F)c1ccc(F)cc1F ZINC000788303470 1023868201 /nfs/dbraw/zinc/86/82/01/1023868201.db2.gz FLTGQVXHRDPFBN-WDEREUQCSA-N 0 2 313.241 3.823 20 0 DHADLN CCCN(CCc1cccc(F)c1)C(=O)C(F)C(F)(F)F ZINC000788300960 1023868553 /nfs/dbraw/zinc/86/85/53/1023868553.db2.gz ZPTFYZQRTGRDTP-GFCCVEGCSA-N 0 2 309.278 3.507 20 0 DHADLN CCCN(CCc1cccc(F)c1)C(=O)[C@@H](F)C(F)(F)F ZINC000788300960 1023868557 /nfs/dbraw/zinc/86/85/57/1023868557.db2.gz ZPTFYZQRTGRDTP-GFCCVEGCSA-N 0 2 309.278 3.507 20 0 DHADLN CC(C)(C)c1ccc(CCNC(=O)[C@@H](F)C(F)(F)F)cc1 ZINC000788279098 1023870467 /nfs/dbraw/zinc/87/04/67/1023870467.db2.gz DALZDWZKOLHWNE-GFCCVEGCSA-N 0 2 305.315 3.543 20 0 DHADLN CC(C)(C)c1ccc(CCNC(=O)C(F)C(F)(F)F)cc1 ZINC000788279098 1023870463 /nfs/dbraw/zinc/87/04/63/1023870463.db2.gz DALZDWZKOLHWNE-GFCCVEGCSA-N 0 2 305.315 3.543 20 0 DHADLN CC[N@H+](Cc1csc(-c2ccc(Cl)cc2)n1)[C@@H](C)C(=O)[O-] ZINC000662217036 1023987349 /nfs/dbraw/zinc/98/73/49/1023987349.db2.gz SGVBVUJDPLSPIG-JTQLQIEISA-N 0 2 324.833 3.759 20 0 DHADLN CC[N@@H+](Cc1csc(-c2ccc(Cl)cc2)n1)[C@@H](C)C(=O)[O-] ZINC000662217036 1023987358 /nfs/dbraw/zinc/98/73/58/1023987358.db2.gz SGVBVUJDPLSPIG-JTQLQIEISA-N 0 2 324.833 3.759 20 0 DHADLN CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cn1 ZINC000268714865 1024145086 /nfs/dbraw/zinc/14/50/86/1024145086.db2.gz LWHNIWINMCGIIR-LSDHHAIUSA-N 0 2 309.417 3.501 20 0 DHADLN O=C(Nc1ccccc1-c1ccccc1)c1ccc2[nH]nnc2c1 ZINC000032450425 1024766320 /nfs/dbraw/zinc/76/63/20/1024766320.db2.gz KGFGTKVEEJQIFX-UHFFFAOYSA-N 0 2 314.348 3.877 20 0 DHADLN O=S(=O)(Cc1cccc2ccccc21)c1nc2ccccc2[nH]1 ZINC000047939951 1024928952 /nfs/dbraw/zinc/92/89/52/1024928952.db2.gz KDVGIBCMDOKJFV-UHFFFAOYSA-N 0 2 322.389 3.690 20 0 DHADLN CCC[C@](C)(CC)C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000279771853 1025257303 /nfs/dbraw/zinc/25/73/03/1025257303.db2.gz BJYJZGNZFLTMIY-INIZCTEOSA-N 0 2 321.446 3.572 20 0 DHADLN Cc1nc2cccc(C(=O)Nc3cc(Cl)c(O)cc3F)c2[nH]1 ZINC000805255028 1025565478 /nfs/dbraw/zinc/56/54/78/1025565478.db2.gz LDEMCLQPGLPREK-UHFFFAOYSA-N 0 2 319.723 3.622 20 0 DHADLN O=C(Nc1cc(Cl)c(O)cc1F)c1cc(Cl)ccc1O ZINC000805257970 1025569337 /nfs/dbraw/zinc/56/93/37/1025569337.db2.gz BBMAOEQZZNLBTR-UHFFFAOYSA-N 0 2 316.115 3.796 20 0 DHADLN O=C([O-])c1cc(Cl)cc(Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC001211964993 1025873471 /nfs/dbraw/zinc/87/34/71/1025873471.db2.gz IRAUKWNJUGVIJO-UHFFFAOYSA-N 0 2 313.744 3.968 20 0 DHADLN CC(C)(C)OCc1cccc(CNC(=O)C(F)C(F)(F)F)c1 ZINC000289783477 1026171893 /nfs/dbraw/zinc/17/18/93/1026171893.db2.gz MDWUACXPGAJAPR-GFCCVEGCSA-N 0 2 321.314 3.518 20 0 DHADLN CC(C)(C)OCc1cccc(CNC(=O)[C@@H](F)C(F)(F)F)c1 ZINC000289783477 1026171900 /nfs/dbraw/zinc/17/19/00/1026171900.db2.gz MDWUACXPGAJAPR-GFCCVEGCSA-N 0 2 321.314 3.518 20 0 DHADLN N#CC(C(=O)COc1ccc(F)cc1)c1ccc2ccccc2n1 ZINC000047376771 1026225201 /nfs/dbraw/zinc/22/52/01/1026225201.db2.gz CSCQHCTUWLSZJV-INIZCTEOSA-N 0 2 320.323 3.629 20 0 DHADLN N#C[C@H](C(=O)COc1ccc(F)cc1)c1ccc2ccccc2n1 ZINC000047376771 1026225211 /nfs/dbraw/zinc/22/52/11/1026225211.db2.gz CSCQHCTUWLSZJV-INIZCTEOSA-N 0 2 320.323 3.629 20 0 DHADLN C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000280109386 1026594379 /nfs/dbraw/zinc/59/43/79/1026594379.db2.gz ASIWAFYNLFBDFI-YUMQZZPRSA-N 0 2 316.184 3.643 20 0 DHADLN COC(=O)c1ccc(-c2cc(F)c(O)c(Cl)c2)c(F)c1F ZINC001244504550 1026681643 /nfs/dbraw/zinc/68/16/43/1026681643.db2.gz QOBYXNLJDWXOOB-UHFFFAOYSA-N 0 2 316.662 3.917 20 0 DHADLN Cc1cccc(CN(CC(C)C)C(=O)C(F)C(F)(F)F)c1 ZINC000810423059 1026758863 /nfs/dbraw/zinc/75/88/63/1026758863.db2.gz KHGVKKPWCADGKG-ZDUSSCGKSA-N 0 2 305.315 3.880 20 0 DHADLN Cc1cccc(CN(CC(C)C)C(=O)[C@H](F)C(F)(F)F)c1 ZINC000810423059 1026758872 /nfs/dbraw/zinc/75/88/72/1026758872.db2.gz KHGVKKPWCADGKG-ZDUSSCGKSA-N 0 2 305.315 3.880 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000810493983 1026768843 /nfs/dbraw/zinc/76/88/43/1026768843.db2.gz KRFVKEMZLMENCX-OLZOCXBDSA-N 0 2 321.289 3.650 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CCCC[C@@H]1Cc1ccc(F)cc1 ZINC000810493983 1026768853 /nfs/dbraw/zinc/76/88/53/1026768853.db2.gz KRFVKEMZLMENCX-OLZOCXBDSA-N 0 2 321.289 3.650 20 0 DHADLN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)C(F)C(F)(F)F)cc1 ZINC000810555188 1026779797 /nfs/dbraw/zinc/77/97/97/1026779797.db2.gz WADXWKWLHQAQJK-MELADBBJSA-N 0 2 317.326 3.990 20 0 DHADLN Cc1ccc([C@@H]2CCC[C@@H]2N(C)C(=O)[C@@H](F)C(F)(F)F)cc1 ZINC000810555188 1026779805 /nfs/dbraw/zinc/77/98/05/1026779805.db2.gz WADXWKWLHQAQJK-MELADBBJSA-N 0 2 317.326 3.990 20 0 DHADLN CC1(c2ccccc2)CCC(NC(=O)C(F)C(F)(F)F)CC1 ZINC000810610034 1026806717 /nfs/dbraw/zinc/80/67/17/1026806717.db2.gz OCMQGEGSXLRZOT-JVWICGRDSA-N 0 2 317.326 3.904 20 0 DHADLN CC1(c2ccccc2)CCC(NC(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000810610034 1026806722 /nfs/dbraw/zinc/80/67/22/1026806722.db2.gz OCMQGEGSXLRZOT-JVWICGRDSA-N 0 2 317.326 3.904 20 0 DHADLN FC(F)(F)C1CC(Nc2nc(C3CCCCC3)ns2)C1 ZINC000420641663 1026848868 /nfs/dbraw/zinc/84/88/68/1026848868.db2.gz SWOJJLITGLVLTP-UHFFFAOYSA-N 0 2 305.369 3.761 20 0 DHADLN CC1(C)CC[C@@H](CNC(=O)C(F)C(F)(F)F)c2ccccc21 ZINC000810857424 1026877696 /nfs/dbraw/zinc/87/76/96/1026877696.db2.gz QZNWPVWFNABPSN-GXFFZTMASA-N 0 2 317.326 3.858 20 0 DHADLN CC1(C)CC[C@@H](CNC(=O)[C@@H](F)C(F)(F)F)c2ccccc21 ZINC000810857424 1026877701 /nfs/dbraw/zinc/87/77/01/1026877701.db2.gz QZNWPVWFNABPSN-GXFFZTMASA-N 0 2 317.326 3.858 20 0 DHADLN Cn1cc(C(F)(F)F)cc(-c2ccc(Cl)c(O)c2F)c1=O ZINC001244632970 1026918678 /nfs/dbraw/zinc/91/86/78/1026918678.db2.gz HPQXCNURBONMGR-UHFFFAOYSA-N 0 2 321.657 3.569 20 0 DHADLN O=C(NCc1ccc(-c2ccco2)cc1F)C(F)C(F)(F)F ZINC000811475715 1027017348 /nfs/dbraw/zinc/01/73/48/1027017348.db2.gz RISFEWFAVVHOTL-GFCCVEGCSA-N 0 2 319.229 3.602 20 0 DHADLN O=C(NCc1ccc(-c2ccco2)cc1F)[C@@H](F)C(F)(F)F ZINC000811475715 1027017352 /nfs/dbraw/zinc/01/73/52/1027017352.db2.gz RISFEWFAVVHOTL-GFCCVEGCSA-N 0 2 319.229 3.602 20 0 DHADLN O=C(Nc1cccc(OC2CCCC2)c1)c1ccc2[nH]nnc2c1 ZINC000031245907 1027221419 /nfs/dbraw/zinc/22/14/19/1027221419.db2.gz XSBLBBBZQAURLW-UHFFFAOYSA-N 0 2 322.368 3.532 20 0 DHADLN O=C(Cc1cc2c(ccc3ccccc23)o1)NOC/C=C\Cl ZINC000812407416 1027286453 /nfs/dbraw/zinc/28/64/53/1027286453.db2.gz BADQSTBIYIICBA-BAQGIRSFSA-N 0 2 315.756 3.929 20 0 DHADLN Cc1oc(NS(=O)(=O)c2ccc(C3CC3)cc2)nc1C1CC1 ZINC000562540735 1027491315 /nfs/dbraw/zinc/49/13/15/1027491315.db2.gz GNLFJHKKPKQARA-UHFFFAOYSA-N 0 2 318.398 3.539 20 0 DHADLN C[C@@H](CCc1cccc(F)c1)[NH2+][C@H](c1nnc[nH]1)c1ccccc1 ZINC000364677958 1027866847 /nfs/dbraw/zinc/86/68/47/1027866847.db2.gz OYSYYVPBNUHAOQ-KSSFIOAISA-N 0 2 324.403 3.644 20 0 DHADLN Cc1ccccc1-c1nsc(NC[C@H]2CC2(Cl)Cl)n1 ZINC000527830877 1027910808 /nfs/dbraw/zinc/91/08/08/1027910808.db2.gz KXQLFORAPIMBCO-SECBINFHSA-N 0 2 314.241 3.541 20 0 DHADLN Cc1oc([C@H](C)[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1C(=O)[O-] ZINC000578076508 1028040086 /nfs/dbraw/zinc/04/00/86/1028040086.db2.gz LHHAXJZCWBTYIE-NSHDSACASA-N 0 2 324.380 3.887 20 0 DHADLN Cc1oc([C@H](C)[N@H+]2CCc3[nH]c4ccccc4c3C2)cc1C(=O)[O-] ZINC000578076508 1028040103 /nfs/dbraw/zinc/04/01/03/1028040103.db2.gz LHHAXJZCWBTYIE-NSHDSACASA-N 0 2 324.380 3.887 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CC=C(c2ccccc2Cl)CC1 ZINC000368251297 1028324421 /nfs/dbraw/zinc/32/44/21/1028324421.db2.gz UABIJMUPZRJNIA-GFCCVEGCSA-N 0 2 321.701 3.856 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CC=C(c2ccccc2Cl)CC1 ZINC000368251297 1028324437 /nfs/dbraw/zinc/32/44/37/1028324437.db2.gz UABIJMUPZRJNIA-GFCCVEGCSA-N 0 2 321.701 3.856 20 0 DHADLN O=C(NC1(c2ccc(F)cc2)CCCC1)C(F)C(F)(F)F ZINC000815321317 1028462827 /nfs/dbraw/zinc/46/28/27/1028462827.db2.gz YCNFVHRXCATRKG-NSHDSACASA-N 0 2 307.262 3.612 20 0 DHADLN O=C(NC1(c2ccc(F)cc2)CCCC1)[C@H](F)C(F)(F)F ZINC000815321317 1028462834 /nfs/dbraw/zinc/46/28/34/1028462834.db2.gz YCNFVHRXCATRKG-NSHDSACASA-N 0 2 307.262 3.612 20 0 DHADLN COc1ccccc1[C@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC000815470023 1028513982 /nfs/dbraw/zinc/51/39/82/1028513982.db2.gz HWCPFAMHMXOKKZ-DGCLKSJQSA-N 0 2 319.298 3.649 20 0 DHADLN COc1ccccc1[C@H]1CCCCN1C(=O)[C@@H](F)C(F)(F)F ZINC000815470023 1028513992 /nfs/dbraw/zinc/51/39/92/1028513992.db2.gz HWCPFAMHMXOKKZ-DGCLKSJQSA-N 0 2 319.298 3.649 20 0 DHADLN CCc1cccc(NC(=O)c2cccc(Br)c2O)c1 ZINC001135304560 1028672580 /nfs/dbraw/zinc/67/25/80/1028672580.db2.gz LBMQJZLHSZDCPW-UHFFFAOYSA-N 0 2 320.186 3.969 20 0 DHADLN CC(C)c1ccc2c(c1)CCN(C(=O)C(F)C(F)(F)F)C2 ZINC001135306260 1028675131 /nfs/dbraw/zinc/67/51/31/1028675131.db2.gz UMFOHHTVVPLQHT-CYBMUJFWSA-N 0 2 303.299 3.595 20 0 DHADLN CC(C)c1ccc2c(c1)CCN(C(=O)[C@@H](F)C(F)(F)F)C2 ZINC001135306260 1028675137 /nfs/dbraw/zinc/67/51/37/1028675137.db2.gz UMFOHHTVVPLQHT-CYBMUJFWSA-N 0 2 303.299 3.595 20 0 DHADLN Cc1csc(C(C#N)C(=O)Cc2ccc(C(F)(F)F)cc2)n1 ZINC000041517925 1028741237 /nfs/dbraw/zinc/74/12/37/1028741237.db2.gz XEGLIMGOWMSDRD-GFCCVEGCSA-N 0 2 324.327 3.889 20 0 DHADLN Cc1csc([C@H](C#N)C(=O)Cc2ccc(C(F)(F)F)cc2)n1 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CC(C)Oc1ccc([C@@H](C)NC(=O)C(F)C(F)(F)F)cc1 ZINC000289576406 131396997 /nfs/dbraw/zinc/39/69/97/131396997.db2.gz WCGXPHRKCFUYHC-BXKDBHETSA-N 0 2 307.287 3.551 20 0 DHADLN Cc1ccc(C[NH2+][C@@]2(C(=O)[O-])CCC(C)(C)c3ccccc32)nc1 ZINC000340685686 132153330 /nfs/dbraw/zinc/15/33/30/132153330.db2.gz AKPBKCXTOMVCOB-FQEVSTJZSA-N 0 2 324.424 3.531 20 0 DHADLN CCc1cccc(C)c1NS(=O)(=O)c1cccc(C)c1F ZINC000180464827 331569783 /nfs/dbraw/zinc/56/97/83/331569783.db2.gz OJVWOMSSQWLFBN-UHFFFAOYSA-N 0 2 307.390 3.806 20 0 DHADLN Cc1cccc(S(=O)(=O)Nc2cccc(C(F)F)c2)c1F ZINC000180503447 331570370 /nfs/dbraw/zinc/57/03/70/331570370.db2.gz ZZZKYRUOYBXMPM-UHFFFAOYSA-N 0 2 315.316 3.873 20 0 DHADLN Cc1ccc(F)c(NC(=O)c2cccc(Br)c2O)c1 ZINC000530781072 331625400 /nfs/dbraw/zinc/62/54/00/331625400.db2.gz BSODCNYODNFMTO-UHFFFAOYSA-N 0 2 324.149 3.855 20 0 DHADLN Cc1ccc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c(C)n1 ZINC000130159328 332023432 /nfs/dbraw/zinc/02/34/32/332023432.db2.gz YIIKZEHGEXFRAP-UHFFFAOYSA-N 0 2 311.168 3.963 20 0 DHADLN O=C(c1cc(F)cc(Cl)c1O)N1CCc2cccc(F)c2C1 ZINC000092568999 332133603 /nfs/dbraw/zinc/13/36/03/332133603.db2.gz GGMPVXUGEPAWMM-UHFFFAOYSA-N 0 2 323.726 3.522 20 0 DHADLN C[C@@H]1C(=O)CC[C@H]1Cc1nc(Cc2cc3ccccc3o2)no1 ZINC000560043013 332305355 /nfs/dbraw/zinc/30/53/55/332305355.db2.gz GNKGTGNNLSXCHW-RYUDHWBXSA-N 0 2 310.353 3.564 20 0 DHADLN C[C@@H]1CC(C(=O)Nc2cc(Cl)cc(Cl)c2O)C[C@@H](C)O1 ZINC000408219934 332320177 /nfs/dbraw/zinc/32/01/77/332320177.db2.gz RNIVMTJQSOYSMA-HTQZYQBOSA-N 0 2 318.200 3.841 20 0 DHADLN CC(=O)c1ccc(NC(=O)c2cc(F)cc(Cl)c2O)cc1 ZINC000161578852 332755505 /nfs/dbraw/zinc/75/55/05/332755505.db2.gz SNLGURMLKNFGPQ-UHFFFAOYSA-N 0 2 307.708 3.640 20 0 DHADLN O=C(Nc1nc(-c2ccco2)cs1)c1cc(F)c(O)c(F)c1 ZINC000177067048 332969337 /nfs/dbraw/zinc/96/93/37/332969337.db2.gz XBXWWRHKHVVQHY-UHFFFAOYSA-N 0 2 322.292 3.639 20 0 DHADLN Cc1cc(N(C)C)cc(C)c1NC(=O)c1cc(F)c(O)c(F)c1 ZINC000180186855 333026973 /nfs/dbraw/zinc/02/69/73/333026973.db2.gz QYXZWJBGIMMRCT-UHFFFAOYSA-N 0 2 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/nfs/dbraw/zinc/08/59/31/600085931.db2.gz IKTVNZSBEKZTEW-UHFFFAOYSA-N 0 2 321.298 3.919 20 0 DHADLN O=C([O-])c1ccc2c(c1)C[N@H+](Cc1ccccc1C(F)(F)F)C2 ZINC000391208350 600085934 /nfs/dbraw/zinc/08/59/34/600085934.db2.gz IKTVNZSBEKZTEW-UHFFFAOYSA-N 0 2 321.298 3.919 20 0 DHADLN Cc1c(C[NH2+][C@H](C(=O)[O-])c2ccc(F)cc2)oc2ccccc12 ZINC000738289675 600439393 /nfs/dbraw/zinc/43/93/93/600439393.db2.gz RPHQBZAOROYBTL-KRWDZBQOSA-N 0 2 313.328 3.796 20 0 DHADLN Cc1cccnc1[C@H]([NH2+][C@@H](C(=O)[O-])c1ccccc1F)C(C)C ZINC000832983575 601011398 /nfs/dbraw/zinc/01/13/98/601011398.db2.gz LAPCGNFIAVHGHO-NVXWUHKLSA-N 0 2 316.376 3.642 20 0 DHADLN C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827934706 601442212 /nfs/dbraw/zinc/44/22/12/601442212.db2.gz IKZJUUMBOPJRME-OQPBUACISA-N 0 2 306.164 3.553 20 0 DHADLN C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827934706 601442214 /nfs/dbraw/zinc/44/22/14/601442214.db2.gz IKZJUUMBOPJRME-OQPBUACISA-N 0 2 306.164 3.553 20 0 DHADLN O=C([O-])c1ccc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)cc1F ZINC000833314700 601630141 /nfs/dbraw/zinc/63/01/41/601630141.db2.gz QIPWBQHLRNFNMJ-UHFFFAOYSA-N 0 2 324.355 3.564 20 0 DHADLN O=C([O-])c1ccc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)cc1F ZINC000833314700 601630142 /nfs/dbraw/zinc/63/01/42/601630142.db2.gz QIPWBQHLRNFNMJ-UHFFFAOYSA-N 0 2 324.355 3.564 20 0 DHADLN C[C@@H](c1ccccc1F)[N@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC000315641772 604749596 /nfs/dbraw/zinc/74/95/96/604749596.db2.gz VYKMQMCKFUEXFM-NSHDSACASA-N 0 2 305.324 3.856 20 0 DHADLN C[C@@H](c1ccccc1F)[N@@H+](C)Cc1ccc(C(=O)[O-])cc1F ZINC000315641772 604749599 /nfs/dbraw/zinc/74/95/99/604749599.db2.gz VYKMQMCKFUEXFM-NSHDSACASA-N 0 2 305.324 3.856 20 0 DHADLN Cc1csc([C@H](C#N)C(=O)CCSc2ccccc2)n1 ZINC000048520390 1013108347 /nfs/dbraw/zinc/10/83/47/1013108347.db2.gz NBRRRYXDVRTYBB-CYBMUJFWSA-N 0 2 302.424 3.810 20 0 DHADLN Cn1c2ccc(Cl)cc2[nH+]c1NCc1cccc(C(=O)[O-])c1 ZINC001594521370 955458239 /nfs/dbraw/zinc/45/82/39/955458239.db2.gz FWXHXVBMVBJKEU-UHFFFAOYSA-N 0 2 315.760 3.537 20 0 DHADLN Cc1coc(C)c1C(=O)Nc1nc(-c2ccccc2Cl)n[nH]1 ZINC000339951252 1013145576 /nfs/dbraw/zinc/14/55/76/1013145576.db2.gz IRNBZOVUGWMRNQ-UHFFFAOYSA-N 0 2 316.748 3.587 20 0 DHADLN C[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1csc(C2CCCCC2)n1 ZINC001589187543 956567500 /nfs/dbraw/zinc/56/75/00/956567500.db2.gz VKDRRLKTJJOBRO-MRXNPFEDSA-N 0 2 308.447 3.630 20 0 DHADLN C[C@]1(C(=O)[O-])CCC[N@H+]1Cc1csc(C2CCCCC2)n1 ZINC001589187543 956567509 /nfs/dbraw/zinc/56/75/09/956567509.db2.gz VKDRRLKTJJOBRO-MRXNPFEDSA-N 0 2 308.447 3.630 20 0 DHADLN C[C@H](Nc1ccc(C(=O)[O-])c[nH+]1)c1ccc(Br)cc1 ZINC000049526956 957478774 /nfs/dbraw/zinc/47/87/74/957478774.db2.gz QONWSRWQKYSSDI-VIFPVBQESA-N 0 2 321.174 3.715 20 0 DHADLN Cc1c(Cl)c(C[N@@H+]2CCCC[C@@H]2C(=O)[O-])nc2ccccc12 ZINC000261668275 961385583 /nfs/dbraw/zinc/38/55/83/961385583.db2.gz LCBRGDNTHWXZTG-OAHLLOKOSA-N 0 2 318.804 3.636 20 0 DHADLN Cc1c(Cl)c(C[N@H+]2CCCC[C@@H]2C(=O)[O-])nc2ccccc12 ZINC000261668275 961385602 /nfs/dbraw/zinc/38/56/02/961385602.db2.gz LCBRGDNTHWXZTG-OAHLLOKOSA-N 0 2 318.804 3.636 20 0 DHADLN Cc1cc(C)cc([C@H]([NH2+]Cc2cnc(C(C)C)s2)C(=O)[O-])c1 ZINC000417561040 973962679 /nfs/dbraw/zinc/96/26/79/973962679.db2.gz LCKJMJCXCSGKPN-HNNXBMFYSA-N 0 2 318.442 3.799 20 0 DHADLN Cc1oc(C[N@@H+](C)Cc2cc(Cl)ccc2F)cc1C(=O)[O-] ZINC000519762375 974334602 /nfs/dbraw/zinc/33/46/02/974334602.db2.gz VBXKQJOMDDACKQ-UHFFFAOYSA-N 0 2 311.740 3.711 20 0 DHADLN Cc1oc(C[N@H+](C)Cc2cc(Cl)ccc2F)cc1C(=O)[O-] ZINC000519762375 974334610 /nfs/dbraw/zinc/33/46/10/974334610.db2.gz VBXKQJOMDDACKQ-UHFFFAOYSA-N 0 2 311.740 3.711 20 0 DHADLN CC(C)C[C@@H](C(=O)[O-])[N@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000568520554 974672414 /nfs/dbraw/zinc/67/24/14/974672414.db2.gz GIAZLURSVLGFIN-HNNXBMFYSA-N 0 2 318.442 3.741 20 0 DHADLN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)Cc1nc(-c2ccccc2)cs1 ZINC000568520554 974672418 /nfs/dbraw/zinc/67/24/18/974672418.db2.gz GIAZLURSVLGFIN-HNNXBMFYSA-N 0 2 318.442 3.741 20 0 DHADLN O=S(=O)(Nc1ccc(Cl)c(F)c1)c1ccc(F)cc1F ZINC000055619714 1014222959 /nfs/dbraw/zinc/22/29/59/1014222959.db2.gz VSDKIHSYXTXZJY-UHFFFAOYSA-N 0 2 321.707 3.558 20 0 DHADLN COCCCC[C@@H](Nc1ccc(C(=O)[O-])c[nH+]1)c1ccccc1 ZINC000647454449 975364874 /nfs/dbraw/zinc/36/48/74/975364874.db2.gz PYLDNXSJEUQHQP-MRXNPFEDSA-N 0 2 314.385 3.750 20 0 DHADLN Cc1oc(-c2cccs2)nc1C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000652485095 975551827 /nfs/dbraw/zinc/55/18/27/975551827.db2.gz UQZXLEKFCIEYKB-ZDUSSCGKSA-N 0 2 322.430 3.643 20 0 DHADLN Cc1oc(-c2cccs2)nc1C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-] ZINC000652485095 975551833 /nfs/dbraw/zinc/55/18/33/975551833.db2.gz UQZXLEKFCIEYKB-ZDUSSCGKSA-N 0 2 322.430 3.643 20 0 DHADLN O=C([O-])c1cccc(C[NH2+][C@H](CCc2ccccc2)C(F)F)c1 ZINC000666583040 975976091 /nfs/dbraw/zinc/97/60/91/975976091.db2.gz HRWLCWUNIGOENL-MRXNPFEDSA-N 0 2 319.351 3.741 20 0 DHADLN Cc1cccc([C@H](C)CNc2nc(C(F)(F)F)ns2)c1 ZINC000581301767 1014689668 /nfs/dbraw/zinc/68/96/68/1014689668.db2.gz DTTYLONNRBFMFG-SECBINFHSA-N 0 2 301.337 3.503 20 0 DHADLN C[C@H]([NH2+][C@H](C(=O)[O-])c1ccsc1)c1cc2ccccc2o1 ZINC001599900995 984824725 /nfs/dbraw/zinc/82/47/25/984824725.db2.gz GECUVRIWPOGBNB-BONVTDFDSA-N 0 2 301.367 3.971 20 0 DHADLN CCSCc1ccc[nH+]c1N[C@@H]1CC[C@@H](CC(=O)[O-])[C@@H]1C ZINC001597267805 987305916 /nfs/dbraw/zinc/30/59/16/987305916.db2.gz PZCCEIWWALDVIY-SGMGOOAPSA-N 0 2 308.447 3.636 20 0 DHADLN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(C3CC3)n[nH]2)cc1 ZINC000474427773 1015349818 /nfs/dbraw/zinc/34/98/18/1015349818.db2.gz QCTGELUNQYXCLU-LLVKDONJSA-N 0 2 319.430 3.601 20 0 DHADLN CS[C@H]1CC[N@@H+]([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001599790038 987991278 /nfs/dbraw/zinc/99/12/78/987991278.db2.gz BHMPNWUTALEDTB-RYUDHWBXSA-N 0 2 320.241 3.556 20 0 DHADLN CS[C@H]1CC[N@H+]([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)C1 ZINC001599790038 987991287 /nfs/dbraw/zinc/99/12/87/987991287.db2.gz BHMPNWUTALEDTB-RYUDHWBXSA-N 0 2 320.241 3.556 20 0 DHADLN CCc1cccc2cc(C[NH2+][C@H](C(=O)[O-])c3ccccc3)oc21 ZINC001597603737 988472177 /nfs/dbraw/zinc/47/21/77/988472177.db2.gz RAOIDKTXQSRIDG-KRWDZBQOSA-N 0 2 309.365 3.911 20 0 DHADLN CC(C)[C@@H]([NH2+][C@H](C(=O)[O-])c1ccsc1)c1ccccc1F ZINC001591024048 991311302 /nfs/dbraw/zinc/31/13/02/991311302.db2.gz HKBZIZZFFLGCCI-CABCVRRESA-N 0 2 307.390 4.000 20 0 DHADLN C[N@H+](Cc1cccc(C(=O)[O-])c1)Cc1c(F)cccc1Cl ZINC001598525230 992710429 /nfs/dbraw/zinc/71/04/29/992710429.db2.gz AQTXZTGUNMMZMX-UHFFFAOYSA-N 0 2 307.752 3.809 20 0 DHADLN C[N@@H+](Cc1cccc(C(=O)[O-])c1)Cc1c(F)cccc1Cl ZINC001598525230 992710434 /nfs/dbraw/zinc/71/04/34/992710434.db2.gz AQTXZTGUNMMZMX-UHFFFAOYSA-N 0 2 307.752 3.809 20 0 DHADLN Oc1c(Cl)cccc1-c1nc([C@H]2CC2(Cl)Cl)no1 ZINC000896806144 1015754250 /nfs/dbraw/zinc/75/42/50/1015754250.db2.gz GOQSUKDDHQRWFA-ZCFIWIBFSA-N 0 2 305.548 3.757 20 0 DHADLN C[C@@H]([NH2+]C1(c2c(F)cccc2F)CCC1)c1cc(C(=O)[O-])co1 ZINC001593209453 994237254 /nfs/dbraw/zinc/23/72/54/994237254.db2.gz KBJZBBRBOHHXNT-SNVBAGLBSA-N 0 2 321.323 3.986 20 0 DHADLN C[C@@H](Nc1cc(CC(=O)[O-])cc[nH+]1)c1c(F)cccc1Cl ZINC001593359372 995014976 /nfs/dbraw/zinc/01/49/76/995014976.db2.gz CVCGCMMUZBWAIW-SECBINFHSA-N 0 2 308.740 3.674 20 0 DHADLN C[C@H](c1nc(C(=O)[O-])co1)[N@@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC001593725828 996282934 /nfs/dbraw/zinc/28/29/34/996282934.db2.gz UUARBBRLPADVDY-CZUORRHYSA-N 0 2 324.380 3.827 20 0 DHADLN C[C@H](c1nc(C(=O)[O-])co1)[N@H+]1CC2(CC=CC2)[C@H]1c1ccccc1 ZINC001593725828 996282939 /nfs/dbraw/zinc/28/29/39/996282939.db2.gz UUARBBRLPADVDY-CZUORRHYSA-N 0 2 324.380 3.827 20 0 DHADLN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+](Cc1cccc(F)c1)C1CC1 ZINC001593732386 996311609 /nfs/dbraw/zinc/31/16/09/996311609.db2.gz SUARNMUCBQZYAJ-SNVBAGLBSA-N 0 2 320.389 3.706 20 0 DHADLN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC001593732386 996311615 /nfs/dbraw/zinc/31/16/15/996311615.db2.gz SUARNMUCBQZYAJ-SNVBAGLBSA-N 0 2 320.389 3.706 20 0 DHADLN C[C@@]1(F)CCC[N@H+](Cc2ccc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC001594045244 997699338 /nfs/dbraw/zinc/69/93/38/997699338.db2.gz RHFNQVVRXICKSC-CQSZACIVSA-N 0 2 319.298 3.728 20 0 DHADLN C[C@@]1(F)CCC[N@@H+](Cc2ccc(C(=O)[O-])cc2C(F)(F)F)C1 ZINC001594045244 997699344 /nfs/dbraw/zinc/69/93/44/997699344.db2.gz RHFNQVVRXICKSC-CQSZACIVSA-N 0 2 319.298 3.728 20 0 DHADLN O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1c(O)cc(F)cc1F ZINC000684775820 1016437525 /nfs/dbraw/zinc/43/75/25/1016437525.db2.gz ULWMHRYTYYYAIR-WCQYABFASA-N 0 2 323.726 3.610 20 0 DHADLN O=C(N[C@@H](C1CCC1)C1CCCC1)c1cc(F)c(O)c(F)c1 ZINC000622737125 1016543264 /nfs/dbraw/zinc/54/32/64/1016543264.db2.gz SFEHZKHUCAYJMT-OAHLLOKOSA-N 0 2 309.356 3.759 20 0 DHADLN O=C(NCc1ccc(Cl)cc1Cl)C(F)C(F)(F)F ZINC000277538752 1016571676 /nfs/dbraw/zinc/57/16/76/1016571676.db2.gz RYPZKFYCDWPVJX-MRVPVSSYSA-N 0 2 304.070 3.510 20 0 DHADLN O=C(NCc1ccc(Cl)cc1Cl)[C@@H](F)C(F)(F)F ZINC000277538752 1016571692 /nfs/dbraw/zinc/57/16/92/1016571692.db2.gz RYPZKFYCDWPVJX-MRVPVSSYSA-N 0 2 304.070 3.510 20 0 DHADLN C[C@@H]1CCN(C(=O)C(F)C(F)(F)F)[C@H]1c1cccc(F)c1 ZINC000277658870 1016859464 /nfs/dbraw/zinc/85/94/64/1016859464.db2.gz LLTWSDRBRXFXSV-FXAINCCUSA-N 0 2 307.262 3.636 20 0 DHADLN C[C@@H]1CCN(C(=O)[C@H](F)C(F)(F)F)[C@H]1c1cccc(F)c1 ZINC000277658870 1016859480 /nfs/dbraw/zinc/85/94/80/1016859480.db2.gz LLTWSDRBRXFXSV-FXAINCCUSA-N 0 2 307.262 3.636 20 0 DHADLN Cc1ccc([C@H]2CCCCCN2C(=O)C(F)C(F)(F)F)o1 ZINC000277714450 1016969165 /nfs/dbraw/zinc/96/91/65/1016969165.db2.gz PENDRXVZENYRBO-PWSUYJOCSA-N 0 2 307.287 3.932 20 0 DHADLN Cc1ccc([C@H]2CCCCCN2C(=O)[C@H](F)C(F)(F)F)o1 ZINC000277714450 1016969195 /nfs/dbraw/zinc/96/91/95/1016969195.db2.gz PENDRXVZENYRBO-PWSUYJOCSA-N 0 2 307.287 3.932 20 0 DHADLN CCCS(=O)(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000192735484 1016994271 /nfs/dbraw/zinc/99/42/71/1016994271.db2.gz ITXUUAHKOWUTDY-UHFFFAOYSA-N 0 2 316.835 3.615 20 0 DHADLN O=S(=O)(Nc1nc2ccccc2s1)c1cccc(Cl)c1 ZINC000057724332 1032311431 /nfs/dbraw/zinc/31/14/31/1032311431.db2.gz LVWHMFMAKMSRPF-UHFFFAOYSA-N 0 2 324.814 3.751 20 0 DHADLN Cc1cc(C(C#N)=C(O)C=Cc2cc(C)c(C)cc2C)nc(C)n1 ZINC000049406981 1011899276 /nfs/dbraw/zinc/89/92/76/1011899276.db2.gz SWSZVKWHHSHZTD-DKFQHHCZSA-N 0 2 319.408 3.908 20 0 DHADLN C[C@@H](CCCC(F)(F)F)NC(=O)c1c(O)cc(F)cc1F ZINC000683183661 1012275245 /nfs/dbraw/zinc/27/52/45/1012275245.db2.gz XWFWCHYSJFVXNK-ZETCQYMHSA-N 0 2 311.250 3.521 20 0 DHADLN CCC[C@](C)(CC)C(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000655050028 1012332578 /nfs/dbraw/zinc/33/25/78/1012332578.db2.gz RCHFITHVLNWDEI-KRWDZBQOSA-N 0 2 316.405 3.641 20 0 DHADLN N#C[C@H](C(=O)C1CC1)c1nc(-c2c(F)cccc2F)cs1 ZINC000064714163 1012334153 /nfs/dbraw/zinc/33/41/53/1012334153.db2.gz PSLLHEWKNZKDPO-SECBINFHSA-N 0 2 304.321 3.675 20 0 DHADLN CCCC(C)(C)CC(=O)Nc1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000655050067 1012334653 /nfs/dbraw/zinc/33/46/53/1012334653.db2.gz YUIAXLZLDLTOFQ-UHFFFAOYSA-N 0 2 316.405 3.641 20 0 DHADLN C[C@H](CNc1nc(-c2cc(F)cc(F)c2)ns1)CC(F)F ZINC000645307467 1012809026 /nfs/dbraw/zinc/80/90/26/1012809026.db2.gz RAPVFMPIPMQNCQ-ZETCQYMHSA-N 0 2 319.327 3.608 20 0 DHADLN C[C@H](CN=c1nc(-c2cc(F)cc(F)c2)[nH]s1)CC(F)F ZINC000645307467 1012809042 /nfs/dbraw/zinc/80/90/42/1012809042.db2.gz RAPVFMPIPMQNCQ-ZETCQYMHSA-N 0 2 319.327 3.608 20 0 DHADLN Cc1cccc([C@@H]2CCCN2C(=O)C(F)C(F)(F)F)c1C ZINC000277865230 1017502708 /nfs/dbraw/zinc/50/27/08/1017502708.db2.gz ZMSJAFPMFNFANX-QWHCGFSZSA-N 0 2 303.299 3.867 20 0 DHADLN Cc1cccc([C@@H]2CCCN2C(=O)[C@@H](F)C(F)(F)F)c1C ZINC000277865230 1017502714 /nfs/dbraw/zinc/50/27/14/1017502714.db2.gz ZMSJAFPMFNFANX-QWHCGFSZSA-N 0 2 303.299 3.867 20 0 DHADLN Cc1ccc(F)cc1S(=O)(=O)Nc1nccc2sccc21 ZINC000182020658 1017847836 /nfs/dbraw/zinc/84/78/36/1017847836.db2.gz KGOKEUXQHFMJOT-UHFFFAOYSA-N 0 2 322.386 3.545 20 0 DHADLN Cc1cccc(C2(CNC(=O)C(F)C(F)(F)F)CCCC2)c1 ZINC000764471753 1018290049 /nfs/dbraw/zinc/29/00/49/1018290049.db2.gz MFFKRRBEFWZSNA-ZDUSSCGKSA-N 0 2 317.326 3.823 20 0 DHADLN Cc1cccc(C2(CNC(=O)[C@H](F)C(F)(F)F)CCCC2)c1 ZINC000764471753 1018290063 /nfs/dbraw/zinc/29/00/63/1018290063.db2.gz MFFKRRBEFWZSNA-ZDUSSCGKSA-N 0 2 317.326 3.823 20 0 DHADLN CCc1ccccc1S(=O)(=O)Nc1nc(C2CCC2)cs1 ZINC000446947542 1018299606 /nfs/dbraw/zinc/29/96/06/1018299606.db2.gz YTYSSRZPYMCFIA-UHFFFAOYSA-N 0 2 322.455 3.774 20 0 DHADLN O=C(NC1(Cc2ccccc2)CCCC1)C(F)C(F)(F)F ZINC000764662012 1018339950 /nfs/dbraw/zinc/33/99/50/1018339950.db2.gz ZTTXMUUJKNKQNF-GFCCVEGCSA-N 0 2 303.299 3.559 20 0 DHADLN O=C(NC1(Cc2ccccc2)CCCC1)[C@@H](F)C(F)(F)F ZINC000764662012 1018339959 /nfs/dbraw/zinc/33/99/59/1018339959.db2.gz ZTTXMUUJKNKQNF-GFCCVEGCSA-N 0 2 303.299 3.559 20 0 DHADLN CC(C)(C(=O)N=c1nc(-c2ccsc2)[nH]s1)C1CCCC1 ZINC000536069562 1018559658 /nfs/dbraw/zinc/55/96/58/1018559658.db2.gz MEZRFTCRDNQSRN-UHFFFAOYSA-N 0 2 321.471 3.843 20 0 DHADLN Fc1ccc(/C=C\C[NH+]2CCC(n3cc[nH+]c3)CC2)c(F)c1 ZINC000349971996 1018829374 /nfs/dbraw/zinc/82/93/74/1018829374.db2.gz SIZWZEADZXYGQH-UPHRSURJSA-N 0 2 303.356 3.512 20 0 DHADLN Cc1sc([C@H](C)[NH2+]Cc2ccccc2Cl)nc1C(=O)[O-] ZINC000900075212 1018985142 /nfs/dbraw/zinc/98/51/42/1018985142.db2.gz NVMKBZYEYASLBT-QMMMGPOBSA-N 0 2 310.806 3.654 20 0 DHADLN Cc1nc(C)c(NS(=O)(=O)c2ccc(C)cc2Cl)s1 ZINC000080972114 1019137929 /nfs/dbraw/zinc/13/79/29/1019137929.db2.gz PBJLUDBEZQCKTI-UHFFFAOYSA-N 0 2 316.835 3.523 20 0 DHADLN Cc1cc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c(C)s1 ZINC000076686979 1019162780 /nfs/dbraw/zinc/16/27/80/1019162780.db2.gz VTXAAIGECNAGGT-UHFFFAOYSA-N 0 2 316.361 3.541 20 0 DHADLN CN(C(=O)c1cccc(Cl)c1O)c1cccc2ncccc21 ZINC001267368557 1019283520 /nfs/dbraw/zinc/28/35/20/1019283520.db2.gz UGQDXQABYQRIEH-UHFFFAOYSA-N 0 2 312.756 3.870 20 0 DHADLN CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cnn(C(C)C)c2)cc1 ZINC000066585534 1019953491 /nfs/dbraw/zinc/95/34/91/1019953491.db2.gz XPMGHEIRESYAQF-CYBMUJFWSA-N 0 2 321.446 3.778 20 0 DHADLN Clc1ccc2nc([C@H]3CCC[N@H+]3C[C@@H]3CCCCO3)[nH]c2c1 ZINC000347740166 1020276695 /nfs/dbraw/zinc/27/66/95/1020276695.db2.gz ZNALOXIIOIJOCW-XJKSGUPXSA-N 0 2 319.836 3.922 20 0 DHADLN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)c1c(O)cc(F)cc1F ZINC000176520411 1020311541 /nfs/dbraw/zinc/31/15/41/1020311541.db2.gz BLTSQRDFVGQTKI-BXUZGUMPSA-N 0 2 317.335 3.689 20 0 DHADLN O=C1CC(c2ccccc2)=NN1c1ncc(Cl)cc1Cl ZINC000612373106 1020525885 /nfs/dbraw/zinc/52/58/85/1020525885.db2.gz REBRBKBPPPXARI-UHFFFAOYSA-N 0 2 306.152 3.529 20 0 DHADLN O=C(CCCc1ccccc1Cl)Nc1ccc2nn[nH]c2c1 ZINC000685775024 1020562405 /nfs/dbraw/zinc/56/24/05/1020562405.db2.gz RQVUCFATRNGWEH-UHFFFAOYSA-N 0 2 314.776 3.573 20 0 DHADLN O=C([O-])c1ccc(Nc2cccc3cc[nH+]cc32)c(F)c1F ZINC001212514224 1020587690 /nfs/dbraw/zinc/58/76/90/1020587690.db2.gz IOMLFULQNTYUBN-UHFFFAOYSA-N 0 2 300.264 3.955 20 0 DHADLN CCOC1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CCC1 ZINC000613159065 1020835715 /nfs/dbraw/zinc/83/57/15/1020835715.db2.gz LIMPYVFTODUOLX-UHFFFAOYSA-N 0 2 304.173 3.597 20 0 DHADLN CCCCOC1CN(Cc2cc(Cl)c(O)c(Cl)c2)C1 ZINC001140833722 1021103077 /nfs/dbraw/zinc/10/30/77/1021103077.db2.gz GKVJHDNBIVCFQO-UHFFFAOYSA-N 0 2 304.217 3.700 20 0 DHADLN Cc1ccc(S(O)=CC(=O)NC2CCCCCCC2)cc1C ZINC000107961664 1021355727 /nfs/dbraw/zinc/35/57/27/1021355727.db2.gz SHXNRMYXPUVKKA-JOCHJYFZSA-N 0 2 321.486 3.640 20 0 DHADLN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])Cc1cc(C2CC2)no1 ZINC000659793433 1021527759 /nfs/dbraw/zinc/52/77/59/1021527759.db2.gz YFGKIDIXPWEYIN-KRWDZBQOSA-N 0 2 314.385 3.590 20 0 DHADLN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])Cc1cc(C2CC2)no1 ZINC000659793433 1021527769 /nfs/dbraw/zinc/52/77/69/1021527769.db2.gz YFGKIDIXPWEYIN-KRWDZBQOSA-N 0 2 314.385 3.590 20 0 DHADLN C[C@H](NC(=O)C(F)(F)C(F)F)c1c(F)cccc1Cl ZINC000177047533 1021848165 /nfs/dbraw/zinc/84/81/65/1021848165.db2.gz RFMCUJXKSAQCLS-YFKPBYRVSA-N 0 2 301.642 3.557 20 0 DHADLN O=C(NC1(c2ccccc2)CCC1)c1cccc(Cl)c1O ZINC001124635433 1022370322 /nfs/dbraw/zinc/37/03/22/1022370322.db2.gz ZKKKOJKQXDSERH-UHFFFAOYSA-N 0 2 301.773 3.855 20 0 DHADLN Cc1cccc([C@H]2CCCN2C(=O)c2c(O)cc(F)cc2F)c1 ZINC000620971358 1022473845 /nfs/dbraw/zinc/47/38/45/1022473845.db2.gz DGXMJJUIHDHAJL-OAHLLOKOSA-N 0 2 317.335 3.956 20 0 DHADLN O=C(NCc1ccc(Cl)c(Cl)c1)C(F)C(F)(F)F ZINC000855780241 1022694959 /nfs/dbraw/zinc/69/49/59/1022694959.db2.gz DZLVFTDQJHKHIU-MRVPVSSYSA-N 0 2 304.070 3.510 20 0 DHADLN O=C(NCc1ccc(Cl)c(Cl)c1)[C@@H](F)C(F)(F)F ZINC000855780241 1022694964 /nfs/dbraw/zinc/69/49/64/1022694964.db2.gz DZLVFTDQJHKHIU-MRVPVSSYSA-N 0 2 304.070 3.510 20 0 DHADLN Cc1cccc([C@H]([NH2+]Cc2sccc2Cl)C(=O)[O-])c1C ZINC000417572503 1022788183 /nfs/dbraw/zinc/78/81/83/1022788183.db2.gz ZERQPMXGHZKQKI-AWEZNQCLSA-N 0 2 309.818 3.934 20 0 DHADLN CCCc1ccc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2F)s1 ZINC000856723086 1022845921 /nfs/dbraw/zinc/84/59/21/1022845921.db2.gz WFOSJCQTBAPLBQ-OAHLLOKOSA-N 0 2 307.390 3.755 20 0 DHADLN CONC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000053720633 1023193365 /nfs/dbraw/zinc/19/33/65/1023193365.db2.gz ZLSVEJGCUKITKZ-INIZCTEOSA-N 0 2 321.829 3.840 20 0 DHADLN C[C@@]1(Cc2ccccc2F)CCCN1C(=O)C(F)C(F)(F)F ZINC000843671853 1023548729 /nfs/dbraw/zinc/54/87/29/1023548729.db2.gz XVIVVUVBVFUIFF-OCCSQVGLSA-N 0 2 321.289 3.650 20 0 DHADLN C[C@@]1(Cc2ccccc2F)CCCN1C(=O)[C@@H](F)C(F)(F)F ZINC000843671853 1023548736 /nfs/dbraw/zinc/54/87/36/1023548736.db2.gz XVIVVUVBVFUIFF-OCCSQVGLSA-N 0 2 321.289 3.650 20 0 DHADLN O=S(=O)(Nc1cccc(Cl)c1)c1cccc(Cl)c1F ZINC000048652459 1023801296 /nfs/dbraw/zinc/80/12/96/1023801296.db2.gz XYTYYPZTPZICQF-UHFFFAOYSA-N 0 2 320.172 3.933 20 0 DHADLN Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1C ZINC000048652311 1023801806 /nfs/dbraw/zinc/80/18/06/1023801806.db2.gz ZSTARDCBEGYAIT-UHFFFAOYSA-N 0 2 313.781 3.897 20 0 DHADLN Cc1cc(C)c(S(=O)(=O)Nc2ccc3nc(C)oc3c2)s1 ZINC000644850594 1024537167 /nfs/dbraw/zinc/53/71/67/1024537167.db2.gz PRMKFWXAFMVZNO-UHFFFAOYSA-N 0 2 322.411 3.615 20 0 DHADLN CC(C)CONC(=O)CSc1cc(Cl)ccc1Cl ZINC000135334302 1025214738 /nfs/dbraw/zinc/21/47/38/1025214738.db2.gz PWFSAJKGEOGOHL-UHFFFAOYSA-N 0 2 308.230 3.789 20 0 DHADLN COc1cc(C2(C(=O)NOC/C=C/Cl)CCCC2)ccc1C ZINC000794304407 1025251543 /nfs/dbraw/zinc/25/15/43/1025251543.db2.gz IFONPVAEPRNPKQ-BJMVGYQFSA-N 0 2 323.820 3.616 20 0 DHADLN c1cc(-c2ccccc2)oc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000354035470 1025330191 /nfs/dbraw/zinc/33/01/91/1025330191.db2.gz YLHVBZBTDKGZPZ-IBGZPJMESA-N 0 2 320.392 3.995 20 0 DHADLN O=C([O-])c1cc(Cl)cc(Nc2ccccc2-n2cc[nH+]c2)c1 ZINC001211964867 1025872535 /nfs/dbraw/zinc/87/25/35/1025872535.db2.gz DETUJZINJBCWEF-UHFFFAOYSA-N 0 2 313.744 3.968 20 0 DHADLN CCO[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1O)C(C)C ZINC000626329629 1026272278 /nfs/dbraw/zinc/27/22/78/1026272278.db2.gz OYIVQXUXOHRNJQ-GFCCVEGCSA-N 0 2 306.189 3.699 20 0 DHADLN COC(=O)c1cc(-c2cc(F)c(O)c(Cl)c2)c(F)cc1F ZINC001244499825 1026671362 /nfs/dbraw/zinc/67/13/62/1026671362.db2.gz KUEULVPGUAKGEG-UHFFFAOYSA-N 0 2 316.662 3.917 20 0 DHADLN CCC(CC)(CNC(=O)C(F)C(F)(F)F)c1ccccc1 ZINC000810451614 1026767735 /nfs/dbraw/zinc/76/77/35/1026767735.db2.gz IEADFYAFTDDCDH-GFCCVEGCSA-N 0 2 305.315 3.761 20 0 DHADLN CCC(CC)(CNC(=O)[C@@H](F)C(F)(F)F)c1ccccc1 ZINC000810451614 1026767745 /nfs/dbraw/zinc/76/77/45/1026767745.db2.gz IEADFYAFTDDCDH-GFCCVEGCSA-N 0 2 305.315 3.761 20 0 DHADLN Cc1ccc(CNC(=O)C(F)C(F)(F)F)c(OC(C)(C)C)c1 ZINC000810490377 1026771098 /nfs/dbraw/zinc/77/10/98/1026771098.db2.gz FCOVEBNSWXEJST-GFCCVEGCSA-N 0 2 321.314 3.689 20 0 DHADLN Cc1ccc(CNC(=O)[C@@H](F)C(F)(F)F)c(OC(C)(C)C)c1 ZINC000810490377 1026771103 /nfs/dbraw/zinc/77/11/03/1026771103.db2.gz FCOVEBNSWXEJST-GFCCVEGCSA-N 0 2 321.314 3.689 20 0 DHADLN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)[C@H](F)C(F)(F)F)cc1 ZINC000810555192 1026780103 /nfs/dbraw/zinc/78/01/03/1026780103.db2.gz WADXWKWLHQAQJK-MJBXVCDLSA-N 0 2 317.326 3.990 20 0 DHADLN Cc1ccc([C@@H]2CCC[C@H]2N(C)C(=O)C(F)C(F)(F)F)cc1 ZINC000810555192 1026780094 /nfs/dbraw/zinc/78/00/94/1026780094.db2.gz WADXWKWLHQAQJK-MJBXVCDLSA-N 0 2 317.326 3.990 20 0 DHADLN CC[C@@H](CSc1ccccc1)NC(=O)C(F)C(F)(F)F ZINC000810715085 1026832045 /nfs/dbraw/zinc/83/20/45/1026832045.db2.gz CAMGQUDJKVDMNE-GXSJLCMTSA-N 0 2 309.328 3.574 20 0 DHADLN CC[C@@H](CSc1ccccc1)NC(=O)[C@@H](F)C(F)(F)F ZINC000810715085 1026832051 /nfs/dbraw/zinc/83/20/51/1026832051.db2.gz CAMGQUDJKVDMNE-GXSJLCMTSA-N 0 2 309.328 3.574 20 0 DHADLN C1CC2(C1)C[C@H](Nc1nc(C3CCCCC3)ns1)CCO2 ZINC000420615193 1026846572 /nfs/dbraw/zinc/84/65/72/1026846572.db2.gz PKPWWFOQNYKKMR-CYBMUJFWSA-N 0 2 307.463 3.521 20 0 DHADLN CC(C)c1ccc(O[C@@H](C)CNC(=O)C(F)C(F)(F)F)cc1 ZINC000811526565 1027021261 /nfs/dbraw/zinc/02/12/61/1027021261.db2.gz CULZCROCNACJCD-GXFFZTMASA-N 0 2 321.314 3.594 20 0 DHADLN CC(C)c1ccc(O[C@@H](C)CNC(=O)[C@@H](F)C(F)(F)F)cc1 ZINC000811526565 1027021269 /nfs/dbraw/zinc/02/12/69/1027021269.db2.gz CULZCROCNACJCD-GXFFZTMASA-N 0 2 321.314 3.594 20 0 DHADLN Cc1ccc(-c2nc(C[N@@H+]([C@@H](C)C(=O)[O-])C3CCC3)cs2)o1 ZINC000571658903 1027139230 /nfs/dbraw/zinc/13/92/30/1027139230.db2.gz WFUFNDHSGXGKSE-NSHDSACASA-N 0 2 320.414 3.539 20 0 DHADLN Cc1ccc(-c2nc(C[N@H+]([C@@H](C)C(=O)[O-])C3CCC3)cs2)o1 ZINC000571658903 1027139234 /nfs/dbraw/zinc/13/92/34/1027139234.db2.gz WFUFNDHSGXGKSE-NSHDSACASA-N 0 2 320.414 3.539 20 0 DHADLN CC(C)(C(=O)NOC/C=C/Cl)c1ccc(Cl)cc1F ZINC000812403412 1027262999 /nfs/dbraw/zinc/26/29/99/1027262999.db2.gz RCQAWWSTWOQQPA-ZZXKWVIFSA-N 0 2 306.164 3.557 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000365640977 1027990278 /nfs/dbraw/zinc/99/02/78/1027990278.db2.gz DVHHMNOZSKZAAX-ZWNOBZJWSA-N 0 2 321.289 3.822 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000365640977 1027990293 /nfs/dbraw/zinc/99/02/93/1027990293.db2.gz DVHHMNOZSKZAAX-ZWNOBZJWSA-N 0 2 321.289 3.822 20 0 DHADLN Cc1cccc(-c2cnc(NS(=O)(=O)CCC3CC3)s2)c1 ZINC000578466034 1028157955 /nfs/dbraw/zinc/15/79/55/1028157955.db2.gz MLQSPFQMIANDDF-UHFFFAOYSA-N 0 2 322.455 3.660 20 0 DHADLN CC1(C)CN(C(=O)C(F)C(F)(F)F)C[C@@H]1c1ccccc1 ZINC000368150507 1028310921 /nfs/dbraw/zinc/31/09/21/1028310921.db2.gz FVRZMFIWIDGLOA-NEPJUHHUSA-N 0 2 303.299 3.539 20 0 DHADLN CC1(C)CN(C(=O)[C@H](F)C(F)(F)F)C[C@@H]1c1ccccc1 ZINC000368150507 1028310939 /nfs/dbraw/zinc/31/09/39/1028310939.db2.gz FVRZMFIWIDGLOA-NEPJUHHUSA-N 0 2 303.299 3.539 20 0 DHADLN Cc1ccc(-c2noc(-c3cccc(Br)c3O)n2)o1 ZINC000579551444 1028436299 /nfs/dbraw/zinc/43/62/99/1028436299.db2.gz KYIYUQWKBUTXQA-UHFFFAOYSA-N 0 2 321.130 3.773 20 0 DHADLN CC(C)c1occc1C(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000369079178 1028443081 /nfs/dbraw/zinc/44/30/81/1028443081.db2.gz RUVMWSYDPDLYJW-UHFFFAOYSA-N 0 2 319.411 3.657 20 0 DHADLN Cc1ccc(CS(=O)(=O)Nc2ncc(C(C)(C)C)s2)cc1 ZINC000564679503 1028487588 /nfs/dbraw/zinc/48/75/88/1028487588.db2.gz BPVLTQLOQDOJMP-UHFFFAOYSA-N 0 2 324.471 3.691 20 0 DHADLN COc1ccccc1[C@@H]1CCCCN1C(=O)[C@H](F)C(F)(F)F ZINC000815470022 1028515249 /nfs/dbraw/zinc/51/52/49/1028515249.db2.gz HWCPFAMHMXOKKZ-AAEUAGOBSA-N 0 2 319.298 3.649 20 0 DHADLN COc1ccccc1[C@@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC000815470022 1028515245 /nfs/dbraw/zinc/51/52/45/1028515245.db2.gz HWCPFAMHMXOKKZ-AAEUAGOBSA-N 0 2 319.298 3.649 20 0 DHADLN O=C(C(F)C(F)(F)F)N(Cc1cccc(F)c1)C1CCCC1 ZINC000815543288 1028549815 /nfs/dbraw/zinc/54/98/15/1028549815.db2.gz KQBSITOBKQWTGU-CYBMUJFWSA-N 0 2 321.289 3.997 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N(Cc1cccc(F)c1)C1CCCC1 ZINC000815543288 1028549827 /nfs/dbraw/zinc/54/98/27/1028549827.db2.gz KQBSITOBKQWTGU-CYBMUJFWSA-N 0 2 321.289 3.997 20 0 DHADLN CC[N@H+](Cc1nc(C(=O)[O-])cs1)Cc1cccc(Cl)c1 ZINC000565957083 1028660549 /nfs/dbraw/zinc/66/05/49/1028660549.db2.gz LRGKTIMUGMSZHN-UHFFFAOYSA-N 0 2 310.806 3.517 20 0 DHADLN CC[N@@H+](Cc1nc(C(=O)[O-])cs1)Cc1cccc(Cl)c1 ZINC000565957083 1028660554 /nfs/dbraw/zinc/66/05/54/1028660554.db2.gz LRGKTIMUGMSZHN-UHFFFAOYSA-N 0 2 310.806 3.517 20 0 DHADLN C[C@@H](Oc1ccc(F)cc1)C(=O)[C@H](C#N)c1nc2ccccc2o1 ZINC000041546905 1028748844 /nfs/dbraw/zinc/74/88/44/1028748844.db2.gz NFBCHGQLKKIESL-RISCZKNCSA-N 0 2 324.311 3.611 20 0 DHADLN O=C(c1cccc(C(F)(F)F)c1O)N1CCc2ccccc21 ZINC001135581061 1028887189 /nfs/dbraw/zinc/88/71/89/1028887189.db2.gz OLPBDLQJOBARRH-UHFFFAOYSA-N 0 2 307.271 3.614 20 0 DHADLN O=C(NOCc1cccnc1)C1(c2ccccc2)CCCCCC1 ZINC000528874164 1028891176 /nfs/dbraw/zinc/89/11/76/1028891176.db2.gz FWUMFUGRKADXLY-UHFFFAOYSA-N 0 2 324.424 3.922 20 0 DHADLN CC1(C)CN(C(=O)c2cccc(Cl)c2O)[C@@H]1c1ccncc1 ZINC000817177469 1029089253 /nfs/dbraw/zinc/08/92/53/1029089253.db2.gz ZYIJDLODFDLZOJ-OAHLLOKOSA-N 0 2 316.788 3.664 20 0 DHADLN O=C(CCCC(=O)C1CC1)Nc1cc(Cl)cc(Cl)c1O ZINC000450339906 1029383887 /nfs/dbraw/zinc/38/38/87/1029383887.db2.gz CLHHGJUZLRPYMI-UHFFFAOYSA-N 0 2 316.184 3.787 20 0 DHADLN FC(F)(F)C[C@@H]1CCCC[C@@H]1Nc1nc(C2CC2)ns1 ZINC000450660437 1029601086 /nfs/dbraw/zinc/60/10/86/1029601086.db2.gz KYFBWCORJXXKKK-UWVGGRQHSA-N 0 2 305.369 3.761 20 0 DHADLN CC(C)C(=O)c1ccc([C@H](C)C(=O)NOc2ccccc2)cc1 ZINC000820042904 1029650285 /nfs/dbraw/zinc/65/02/85/1029650285.db2.gz HINVGJGKUGRHTP-AWEZNQCLSA-N 0 2 311.381 3.739 20 0 DHADLN O=S(=O)(Nc1ccccc1)c1csnc1-c1ccccc1 ZINC000821116637 1029812194 /nfs/dbraw/zinc/81/21/94/1029812194.db2.gz RYGKVLGFHILQIP-UHFFFAOYSA-N 0 2 316.407 3.611 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000290770731 1030181131 /nfs/dbraw/zinc/18/11/31/1030181131.db2.gz KXBQBVJZBZHDFN-ONGXEEELSA-N 0 2 309.690 3.556 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000290770731 1030181146 /nfs/dbraw/zinc/18/11/46/1030181146.db2.gz KXBQBVJZBZHDFN-ONGXEEELSA-N 0 2 309.690 3.556 20 0 DHADLN O=C(C(F)C(F)(F)F)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000290965544 1030267141 /nfs/dbraw/zinc/26/71/41/1030267141.db2.gz RYJNGVCHEPZOCF-SYQHCUMBSA-N 0 2 315.310 3.682 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000290965544 1030267156 /nfs/dbraw/zinc/26/71/56/1030267156.db2.gz RYJNGVCHEPZOCF-SYQHCUMBSA-N 0 2 315.310 3.682 20 0 DHADLN O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)C(F)C(F)(F)F ZINC000290971484 1030267732 /nfs/dbraw/zinc/26/77/32/1030267732.db2.gz XLPLDSHIOUNHKW-LSJOCFKGSA-N 0 2 309.690 3.603 20 0 DHADLN O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)[C@H](F)C(F)(F)F ZINC000290971484 1030267738 /nfs/dbraw/zinc/26/77/38/1030267738.db2.gz XLPLDSHIOUNHKW-LSJOCFKGSA-N 0 2 309.690 3.603 20 0 DHADLN CC[C@H](C)N(CC)C(=O)c1cc(Br)cc(F)c1O ZINC000869222680 1030723513 /nfs/dbraw/zinc/72/35/13/1030723513.db2.gz IGFJTOVFCKZELA-QMMMGPOBSA-N 0 2 318.186 3.554 20 0 DHADLN O=C(NOCCCC(F)(F)F)C1(c2ccc(Cl)cc2)CC1 ZINC000871212046 1031162166 /nfs/dbraw/zinc/16/21/66/1031162166.db2.gz GTSOMFBOTXAJTO-UHFFFAOYSA-N 0 2 321.726 3.762 20 0 DHADLN CCc1nc(C[NH2+][C@@H](CC(=O)[O-])c2ccccc2Cl)cs1 ZINC000871883027 1031372225 /nfs/dbraw/zinc/37/22/25/1031372225.db2.gz ACAUNXFRMYAZNV-ZDUSSCGKSA-N 0 2 324.833 3.665 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCCC[C@@H]1Cc1ccccc1F ZINC000844881175 1031381663 /nfs/dbraw/zinc/38/16/63/1031381663.db2.gz NUGCKDPEHHOSFV-YPMHNXCESA-N 0 2 321.289 3.650 20 0 DHADLN O=C([C@H](F)C(F)(F)F)N1CCCC[C@@H]1Cc1ccccc1F ZINC000844881175 1031381668 /nfs/dbraw/zinc/38/16/68/1031381668.db2.gz NUGCKDPEHHOSFV-YPMHNXCESA-N 0 2 321.289 3.650 20 0 DHADLN O=C(NC[C@H]1CCCCC(F)(F)C1)c1cc(F)c(O)c(F)c1 ZINC000293549022 1031511886 /nfs/dbraw/zinc/51/18/86/1031511886.db2.gz BUPPFSXNZYIMJR-VIFPVBQESA-N 0 2 319.298 3.616 20 0 DHADLN Cc1c(NS(=O)(=O)c2cccc(C(C)C)c2)[nH]nc1C1CC1 ZINC000760318318 1031658200 /nfs/dbraw/zinc/65/82/00/1031658200.db2.gz BHQOKOPZSVDJGH-UHFFFAOYSA-N 0 2 319.430 3.520 20 0 DHADLN Cc1cccc2c1[nH]cc(C(=O)N(C)[C@@H](C)c1ccccc1)c2=O ZINC000361214833 1031789862 /nfs/dbraw/zinc/78/98/62/1031789862.db2.gz GWZDDHQBKKKQGZ-AWEZNQCLSA-N 0 2 320.392 3.670 20 0 DHADLN Cc1cccc2c(=O)c(C(=O)N3CCC[C@H]4CCCC[C@H]43)c[nH]c12 ZINC000361276897 1031830505 /nfs/dbraw/zinc/83/05/05/1031830505.db2.gz OWXPVMNNXDMRPO-RHSMWYFYSA-N 0 2 324.424 3.631 20 0 DHADLN Cc1cccc2c(=O)c(C(=O)N3CCC[C@H]3C3CCCC3)c[nH]c12 ZINC000361353201 1031884381 /nfs/dbraw/zinc/88/43/81/1031884381.db2.gz SPOOYCVWVIWNJK-KRWDZBQOSA-N 0 2 324.424 3.631 20 0 DHADLN Cc1cc(C)nc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC000380023107 1033307201 /nfs/dbraw/zinc/30/72/01/1033307201.db2.gz UMXFCJXOOCRDHE-UHFFFAOYSA-N 0 2 311.168 3.963 20 0 DHADLN O=C(c1cc(F)c(O)c(F)c1)N(Cc1cccs1)C1CC1 ZINC000177036287 1034127638 /nfs/dbraw/zinc/12/76/38/1034127638.db2.gz FLQKEMZOWCPWDO-UHFFFAOYSA-N 0 2 309.337 3.537 20 0 DHADLN Fc1ccc([C@@H]2CC[C@@H](Nc3nc(C4CC4)ns3)C2)cc1 ZINC000480575164 1034328682 /nfs/dbraw/zinc/32/86/82/1034328682.db2.gz FQLRHZCUORWADC-TZMCWYRMSA-N 0 2 303.406 3.725 20 0 DHADLN O=c1[n-]c(F)c(Cl)c(Nc2cc[nH+]c3[nH]ccc32)c1Cl ZINC001174407773 1034394078 /nfs/dbraw/zinc/39/40/78/1034394078.db2.gz BYFBHIPCNFDLJC-UHFFFAOYSA-N 0 2 313.119 3.805 20 0 DHADLN CCOC(=O)c1sc(Nc2c(C)noc2C)nc1C1CC1 ZINC001176178530 1035213204 /nfs/dbraw/zinc/21/32/04/1035213204.db2.gz WWJWHVIGPOXJBD-UHFFFAOYSA-N 0 2 307.375 3.546 20 0 DHADLN O=S(=O)(Nc1cccc(Cl)n1)c1ccc2ccccc2c1 ZINC000162278639 1035231496 /nfs/dbraw/zinc/23/14/96/1035231496.db2.gz NESFAQIHHIZBFM-UHFFFAOYSA-N 0 2 318.785 3.689 20 0 DHADLN CCOc1cc(Nc2ccc(C3(C(=O)[O-])CC3)cc2)cc(C)[nH+]1 ZINC001176584283 1035289492 /nfs/dbraw/zinc/28/94/92/1035289492.db2.gz HPTRGEDSZNRQRD-UHFFFAOYSA-N 0 2 312.369 3.649 20 0 DHADLN CCc1ncc(C[NH2+][C@@H](C(=O)[O-])c2ccc(Cl)c(C)c2)s1 ZINC000904002070 1035337456 /nfs/dbraw/zinc/33/74/56/1035337456.db2.gz NBFANWQDSVTYGP-CQSZACIVSA-N 0 2 324.833 3.583 20 0 DHADLN CCCCOC(=O)Nc1ccc(F)c(Br)c1O ZINC001193707740 1035715932 /nfs/dbraw/zinc/71/59/32/1035715932.db2.gz YDMDWHZPXHYHNM-UHFFFAOYSA-N 0 2 306.131 3.642 20 0 DHADLN Cc1cnc(NS(=O)(=O)c2ccc3c(Cl)cccc3c2)o1 ZINC001194216063 1035878072 /nfs/dbraw/zinc/87/80/72/1035878072.db2.gz SYPUXGUSDNNOMM-UHFFFAOYSA-N 0 2 322.773 3.590 20 0 DHADLN CC(C)(C)COC(=O)Nc1ccc(F)c(Br)c1O ZINC001194385412 1035916106 /nfs/dbraw/zinc/91/61/06/1035916106.db2.gz OGHXMYJMORWZHQ-UHFFFAOYSA-N 0 2 320.158 3.888 20 0 DHADLN CCOC(=O)c1cnoc1Nc1c(Cl)cccc1Cl ZINC001250029874 1036056126 /nfs/dbraw/zinc/05/61/26/1036056126.db2.gz YFTLTTOHZIMYGM-UHFFFAOYSA-N 0 2 301.129 3.902 20 0 DHADLN CC(=O)c1ccccc1NS(=O)(=O)c1c(C)cccc1Cl ZINC001195307964 1036216854 /nfs/dbraw/zinc/21/68/54/1036216854.db2.gz AQEHAIRHXQZBDE-UHFFFAOYSA-N 0 2 323.801 3.652 20 0 DHADLN CN(C(=O)c1cccc(Cl)c1O)[C@H]1CCc2ccccc21 ZINC000775652422 1036229519 /nfs/dbraw/zinc/22/95/19/1036229519.db2.gz ZMAFAIRTZCGHMX-HNNXBMFYSA-N 0 2 301.773 3.805 20 0 DHADLN CCc1cccc2c1N(C(=O)c1cccc(Cl)c1O)CC2 ZINC000775679495 1036413323 /nfs/dbraw/zinc/41/33/23/1036413323.db2.gz FPHCLXJPQQHOPK-UHFFFAOYSA-N 0 2 301.773 3.811 20 0 DHADLN Cc1ccccc1[C@H]1CCN(C(=O)c2cccc(Cl)c2O)C1 ZINC000775691216 1036479135 /nfs/dbraw/zinc/47/91/35/1036479135.db2.gz NVWNKWXQBZGAOE-ZDUSSCGKSA-N 0 2 315.800 3.984 20 0 DHADLN O=C(Nc1scnc1C1CC1)c1cc(Cl)c(F)cc1O ZINC001196459420 1036549609 /nfs/dbraw/zinc/54/96/09/1036549609.db2.gz PKCWCBWLVYQQMY-UHFFFAOYSA-N 0 2 312.753 3.771 20 0 DHADLN Oc1c(Cl)cccc1-c1nc(-c2ccc3nccnc3c2)no1 ZINC000762151266 1036555079 /nfs/dbraw/zinc/55/50/79/1036555079.db2.gz QVFBJZQWUICCCO-UHFFFAOYSA-N 0 2 324.727 3.706 20 0 DHADLN CCc1cnccc1-c1noc(-c2cccc(Cl)c2O)n1 ZINC000762227302 1036637172 /nfs/dbraw/zinc/63/71/72/1036637172.db2.gz YCPFHPSSHKWQBV-UHFFFAOYSA-N 0 2 301.733 3.720 20 0 DHADLN COc1c(F)cc(F)cc1NC(=O)c1cccc(Cl)c1O ZINC000775773724 1036782482 /nfs/dbraw/zinc/78/24/82/1036782482.db2.gz JQYLZMXEBWXIBZ-UHFFFAOYSA-N 0 2 313.687 3.585 20 0 DHADLN CC(C)(C)Oc1ccncc1NC(=O)c1cccc(Cl)c1O ZINC000775783162 1036852966 /nfs/dbraw/zinc/85/29/66/1036852966.db2.gz FGCVKMBJLODIMU-UHFFFAOYSA-N 0 2 320.776 3.870 20 0 DHADLN O=C([O-])C1(CNc2[nH+]ccc3cc(C(F)(F)F)ccc32)CC1 ZINC000910428580 1036870578 /nfs/dbraw/zinc/87/05/78/1036870578.db2.gz CAIFQIZTHUHXNW-UHFFFAOYSA-N 0 2 310.275 3.530 20 0 DHADLN O=[N+]([O-])c1ccc(O)c(/C=N/CCc2ccc(Cl)s2)c1 ZINC000044011721 1036899044 /nfs/dbraw/zinc/89/90/44/1036899044.db2.gz KULMEYLMWGQEPD-OVCLIPMQSA-N 0 2 310.762 3.677 20 0 DHADLN CNc1ccc(C)cc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC001199700409 1037321797 /nfs/dbraw/zinc/32/17/97/1037321797.db2.gz GYQNKFZWZULKSA-UHFFFAOYSA-N 0 2 324.403 3.651 20 0 DHADLN CCc1ccc(NS(=O)(=O)c2csc3ccccc32)cn1 ZINC001186455445 1037403072 /nfs/dbraw/zinc/40/30/72/1037403072.db2.gz WAXVJOLXJJGBED-UHFFFAOYSA-N 0 2 318.423 3.660 20 0 DHADLN O=C(NCc1ccco1)Nc1cc(Cl)cc(Cl)c1O ZINC001188168169 1037832344 /nfs/dbraw/zinc/83/23/44/1037832344.db2.gz DEAPBAOBOFPEFW-UHFFFAOYSA-N 0 2 301.129 3.614 20 0 DHADLN Cc1ccnc2cc(NC(=O)c3ncc(C(F)(F)F)[nH]3)ccc12 ZINC001188289373 1037855796 /nfs/dbraw/zinc/85/57/96/1037855796.db2.gz UOQGTHVGZAOAII-UHFFFAOYSA-N 0 2 320.274 3.537 20 0 DHADLN O=C(Nc1cnoc1)c1nc(-c2ccccc2)oc1C(F)(F)F ZINC001189044453 1038052903 /nfs/dbraw/zinc/05/29/03/1038052903.db2.gz QCCMMANLAKFBMF-UHFFFAOYSA-N 0 2 323.230 3.601 20 0 DHADLN O=S(=O)(Cc1cc(F)ccc1F)Nc1cccc2ccoc21 ZINC001189697361 1038194934 /nfs/dbraw/zinc/19/49/34/1038194934.db2.gz QLZHNOARTVALLV-UHFFFAOYSA-N 0 2 323.320 3.653 20 0 DHADLN O=S(=O)(Nc1cccc2c3ccccc3oc21)c1ccncc1 ZINC001190897639 1038402944 /nfs/dbraw/zinc/40/29/44/1038402944.db2.gz JDGXOKXNXUJSRZ-UHFFFAOYSA-N 0 2 324.361 3.782 20 0 DHADLN Cc1cc(Cl)ncc1S(=O)(=O)Nc1cccc2ccoc21 ZINC001192361760 1038640409 /nfs/dbraw/zinc/64/04/09/1038640409.db2.gz XCMRMFMJDWIIKY-UHFFFAOYSA-N 0 2 322.773 3.590 20 0 DHADLN Cc1cccc([C@@H](C)NC(=O)c2ccc(F)c(F)c2O)c1C ZINC001192819523 1038704951 /nfs/dbraw/zinc/70/49/51/1038704951.db2.gz ZMGJPXWBLVADOK-LLVKDONJSA-N 0 2 305.324 3.778 20 0 DHADLN CC(C)(C)c1ccc(CNC(=O)c2ccc(O)c(F)c2F)cc1 ZINC001192842928 1038706888 /nfs/dbraw/zinc/70/68/88/1038706888.db2.gz QGGVMJVINKOGDG-UHFFFAOYSA-N 0 2 319.351 3.898 20 0 DHADLN C[C@@H]1C[C@H](NC(=O)c2ccc(O)c(F)c2F)c2ccccc21 ZINC001192843242 1038707312 /nfs/dbraw/zinc/70/73/12/1038707312.db2.gz SRRWGMVYYQKVAM-RNCFNFMXSA-N 0 2 303.308 3.649 20 0 DHADLN Cc1ccccc1C(C)(C)NC(=O)c1ccc(O)c(F)c1F ZINC001192848712 1038708216 /nfs/dbraw/zinc/70/82/16/1038708216.db2.gz HRQPLWXMZJFJEU-UHFFFAOYSA-N 0 2 305.324 3.644 20 0 DHADLN Cc1cc(NC(=O)c2cc(F)c(O)cc2F)c2ccsc2n1 ZINC001192860610 1038710701 /nfs/dbraw/zinc/71/07/01/1038710701.db2.gz ZXONDXPSCKPWSB-UHFFFAOYSA-N 0 2 320.320 3.841 20 0 DHADLN Cc1ccc(-c2noc(C(=O)Nc3c(F)cccc3F)n2)cc1 ZINC001212170491 1039081486 /nfs/dbraw/zinc/08/14/86/1039081486.db2.gz COWQFOXATVNEOX-UHFFFAOYSA-N 0 2 315.279 3.576 20 0 DHADLN CC1(c2ccccc2)CC(NC(=O)c2c(O)cc(F)cc2F)C1 ZINC000592314873 1039165489 /nfs/dbraw/zinc/16/54/89/1039165489.db2.gz PQPOEPJUXHKHHN-UHFFFAOYSA-N 0 2 317.335 3.521 20 0 DHADLN O=C(N[C@@H](c1ccccc1)C1CCC1)c1c(O)cc(F)cc1F ZINC000605182590 1039635616 /nfs/dbraw/zinc/63/56/16/1039635616.db2.gz JHDYWWKUBDGCIQ-KRWDZBQOSA-N 0 2 317.335 3.942 20 0 DHADLN CSc1ccccc1[C@H](C)NC(=O)c1c(O)cc(F)cc1F ZINC000669622106 1040860461 /nfs/dbraw/zinc/86/04/61/1040860461.db2.gz BCVADEDVTZHEOZ-VIFPVBQESA-N 0 2 323.364 3.883 20 0 DHADLN Cc1csc(CSCc2nc(Cc3ccccc3)no2)n1 ZINC000088306266 185245121 /nfs/dbraw/zinc/24/51/21/185245121.db2.gz LCILUJLMWFUHAA-UHFFFAOYSA-N 0 2 317.439 3.859 20 0 DHADLN Cc1ccc([C@@H](CC(=O)[O-])[NH2+]Cc2ncc(C(C)(C)C)s2)o1 ZINC000417561762 334982078 /nfs/dbraw/zinc/98/20/78/334982078.db2.gz BQNNPSDGFNQDTG-LLVKDONJSA-N 0 2 322.430 3.648 20 0 DHADLN CCS(=O)(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 ZINC000005923994 181296484 /nfs/dbraw/zinc/29/64/84/181296484.db2.gz VJNGXXGDZXLOLE-UHFFFAOYSA-N 0 2 324.471 3.869 20 0 DHADLN Cc1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)nc1 ZINC000006352420 181333849 /nfs/dbraw/zinc/33/38/49/181333849.db2.gz HMBJDBOILKUFQA-UHFFFAOYSA-N 0 2 318.442 3.733 20 0 DHADLN Cc1cc(F)ccc1NC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000026774964 182452856 /nfs/dbraw/zinc/45/28/56/182452856.db2.gz PBWXKQUVJMBYJL-UHFFFAOYSA-N 0 2 312.344 3.735 20 0 DHADLN Cc1cc2c(cc1C)N(Cc1nc(=O)c3sccc3[nH]1)CC2 ZINC000285587211 131183661 /nfs/dbraw/zinc/18/36/61/131183661.db2.gz XGXBIJUHPGUIOL-UHFFFAOYSA-N 0 2 311.410 3.576 20 0 DHADLN Cc1ccc([C@@H](CNc2[nH+]c3ccccc3n2C)[NH+](C)C)cc1 ZINC000534244330 435272544 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QIANFOQTPOKZTE-UHFFFAOYSA-N 0 2 317.559 4.000 20 0 DHADLN Cn1cc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)nn1 ZINC000525045555 1018154138 /nfs/dbraw/zinc/15/41/38/1018154138.db2.gz DIVGCDNBJMDBIL-NSCUHMNNSA-N 0 2 321.167 3.546 20 0 DHADLN CCCc1ccc(S(=O)(=O)Nc2[nH]nc(C(C)C)c2C)cc1 ZINC000647279029 1018172950 /nfs/dbraw/zinc/17/29/50/1018172950.db2.gz CKZDZRRLGHFFHE-UHFFFAOYSA-N 0 2 321.446 3.595 20 0 DHADLN CCc1ccc(S(=O)(=O)Nc2nc(C3CCC3)cs2)cc1 ZINC000446956285 1018301501 /nfs/dbraw/zinc/30/15/01/1018301501.db2.gz FPJXMTUHDQHRSS-UHFFFAOYSA-N 0 2 322.455 3.774 20 0 DHADLN CC(C)(C)c1ccc2c(c1)CN(C(=O)C(F)C(F)(F)F)CC2 ZINC000764662569 1018344222 /nfs/dbraw/zinc/34/42/22/1018344222.db2.gz AZCRLKKDVWGWOP-ZDUSSCGKSA-N 0 2 317.326 3.769 20 0 DHADLN CC(C)(C)c1ccc2c(c1)CN(C(=O)[C@H](F)C(F)(F)F)CC2 ZINC000764662569 1018344239 /nfs/dbraw/zinc/34/42/39/1018344239.db2.gz AZCRLKKDVWGWOP-ZDUSSCGKSA-N 0 2 317.326 3.769 20 0 DHADLN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)C(F)C(F)(F)F ZINC000278549949 1018808676 /nfs/dbraw/zinc/80/86/76/1018808676.db2.gz GNXGQMHJUJURAN-URBCHYCLSA-N 0 2 303.299 3.680 20 0 DHADLN C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1C(=O)[C@H](F)C(F)(F)F ZINC000278549949 1018808692 /nfs/dbraw/zinc/80/86/92/1018808692.db2.gz GNXGQMHJUJURAN-URBCHYCLSA-N 0 2 303.299 3.680 20 0 DHADLN Cc1cccc(NS(=O)(=O)c2csc3ccccc32)c1O ZINC000671660367 1019117276 /nfs/dbraw/zinc/11/72/76/1019117276.db2.gz ZDLGWMMSRTZEPB-UHFFFAOYSA-N 0 2 319.407 3.716 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000278753965 1019228906 /nfs/dbraw/zinc/22/89/06/1019228906.db2.gz VTVYXHONUNGGRW-GHMZBOCLSA-N 0 2 309.690 3.904 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000278753965 1019228915 /nfs/dbraw/zinc/22/89/15/1019228915.db2.gz VTVYXHONUNGGRW-GHMZBOCLSA-N 0 2 309.690 3.904 20 0 DHADLN O=C(c1c(O)cc(F)cc1F)N1CCC[C@H]1c1ccccc1 ZINC000066043376 1019477123 /nfs/dbraw/zinc/47/71/23/1019477123.db2.gz MWEUIZKSOYFPAK-AWEZNQCLSA-N 0 2 303.308 3.648 20 0 DHADLN C[C@H](NC(=O)c1c(O)cc(F)cc1F)c1cc2ccccc2o1 ZINC000066042652 1019477199 /nfs/dbraw/zinc/47/71/99/1019477199.db2.gz HXZWGMBCKHVTHA-VIFPVBQESA-N 0 2 317.291 3.908 20 0 DHADLN Cc1cc(C(=O)[O-])ccc1Nc1ccc(Cn2cc[nH+]c2)cc1 ZINC001211622441 1019675004 /nfs/dbraw/zinc/67/50/04/1019675004.db2.gz FGEHHTBWVNLHRT-UHFFFAOYSA-N 0 2 307.353 3.682 20 0 DHADLN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1c(O)cc(F)cc1F ZINC000115721462 1019764943 /nfs/dbraw/zinc/76/49/43/1019764943.db2.gz NOYVENVNFOTRMA-YPMHNXCESA-N 0 2 317.335 3.689 20 0 DHADLN C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1c(O)cc(F)cc1F ZINC000673395269 1019859579 /nfs/dbraw/zinc/85/95/79/1019859579.db2.gz JQOPIBSGJRPNHJ-WDEREUQCSA-N 0 2 311.372 3.957 20 0 DHADLN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1c(O)cc(F)cc1F ZINC000176520454 1020311380 /nfs/dbraw/zinc/31/13/80/1020311380.db2.gz BLTSQRDFVGQTKI-FZMZJTMJSA-N 0 2 317.335 3.689 20 0 DHADLN O=C([O-])c1ccc(N[C@H]2CCCC[C@H]2CC(F)(F)F)[nH+]c1 ZINC000647455742 1020436547 /nfs/dbraw/zinc/43/65/47/1020436547.db2.gz MUADXLOHPMJOJG-ONGXEEELSA-N 0 2 302.296 3.703 20 0 DHADLN O=C(Nc1cc(Cl)nc(Cl)c1)c1cccc(Cl)c1O ZINC001128099965 1020486893 /nfs/dbraw/zinc/48/68/93/1020486893.db2.gz MVDHXOXJVXGCIM-UHFFFAOYSA-N 0 2 317.559 4.000 20 0 DHADLN C[C@@H](NC(=O)c1c(O)cc(F)cc1F)[C@@H](C)c1ccccc1 ZINC000673810311 1020500978 /nfs/dbraw/zinc/50/09/78/1020500978.db2.gz ZIBFRSJLBJGJGT-GHMZBOCLSA-N 0 2 305.324 3.592 20 0 DHADLN CC(C)(C)c1ccc(NCC2C[NH+](Cc3ccccc3)C2)[nH+]c1 ZINC000716220976 1020748120 /nfs/dbraw/zinc/74/81/20/1020748120.db2.gz IULXYYSKTXJDJE-UHFFFAOYSA-N 0 2 309.457 3.923 20 0 DHADLN CC[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)c1ccc(OC)cc1 ZINC000176969120 1021185397 /nfs/dbraw/zinc/18/53/97/1021185397.db2.gz GWZOQVCJEQJRKX-OAHLLOKOSA-N 0 2 321.323 3.560 20 0 DHADLN CCCCCC(C)(C)CNC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC000318557580 1021213592 /nfs/dbraw/zinc/21/35/92/1021213592.db2.gz OKMQYRZUTATISW-UHFFFAOYSA-N 0 2 308.378 3.637 20 0 DHADLN Cc1ccc([C@H]2CCCCN2C(=O)C(F)C(F)(F)F)cc1 ZINC000278822576 1022070386 /nfs/dbraw/zinc/07/03/86/1022070386.db2.gz JAAZQPKWBZYABV-CHWSQXEVSA-N 0 2 303.299 3.949 20 0 DHADLN Cc1ccc([C@H]2CCCCN2C(=O)[C@@H](F)C(F)(F)F)cc1 ZINC000278822576 1022070392 /nfs/dbraw/zinc/07/03/92/1022070392.db2.gz JAAZQPKWBZYABV-CHWSQXEVSA-N 0 2 303.299 3.949 20 0 DHADLN CC(=O)c1cc(NC(=O)c2cccc(Cl)c2O)ccc1F ZINC000804273178 1022092144 /nfs/dbraw/zinc/09/21/44/1022092144.db2.gz RPRZTOMYKLWPRJ-UHFFFAOYSA-N 0 2 307.708 3.640 20 0 DHADLN CC(C)(CNC(=O)c1cccc(Cl)c1O)CC(F)(F)F ZINC000856520335 1022831473 /nfs/dbraw/zinc/83/14/73/1022831473.db2.gz YBMJVAKMFRESRB-UHFFFAOYSA-N 0 2 309.715 3.754 20 0 DHADLN O=C(Nc1nc2ccsc2s1)c1cccc(Cl)c1O ZINC000775749966 1022917752 /nfs/dbraw/zinc/91/77/52/1022917752.db2.gz VVAUFHIBDOCFNF-UHFFFAOYSA-N 0 2 310.787 3.969 20 0 DHADLN CCCC[C@@H](C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)C(C)C ZINC000622032775 1023004100 /nfs/dbraw/zinc/00/41/00/1023004100.db2.gz VTRVUBPAAAVBDJ-CQSZACIVSA-N 0 2 316.405 3.578 20 0 DHADLN O=C(NOCC(F)F)C1(c2c(Cl)cccc2Cl)CCC1 ZINC000772546591 1023560504 /nfs/dbraw/zinc/56/05/04/1023560504.db2.gz GENRIPMLDMIWJU-UHFFFAOYSA-N 0 2 324.154 3.728 20 0 DHADLN C[C@]1(Cc2ccccc2F)CCCN1C(=O)C(F)C(F)(F)F ZINC000843671848 1023572572 /nfs/dbraw/zinc/57/25/72/1023572572.db2.gz XVIVVUVBVFUIFF-GXTWGEPZSA-N 0 2 321.289 3.650 20 0 DHADLN C[C@]1(Cc2ccccc2F)CCCN1C(=O)[C@H](F)C(F)(F)F ZINC000843671848 1023572576 /nfs/dbraw/zinc/57/25/76/1023572576.db2.gz XVIVVUVBVFUIFF-GXTWGEPZSA-N 0 2 321.289 3.650 20 0 DHADLN O=C([O-])CC[C@@H]1CCCN(c2cc[nH+]c3c(Cl)cccc23)C1 ZINC000662887241 1023643711 /nfs/dbraw/zinc/64/37/11/1023643711.db2.gz FZNQPFMRYBOCKS-LBPRGKRZSA-N 0 2 318.804 3.969 20 0 DHADLN Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2F)c1C ZINC000048652276 1023801467 /nfs/dbraw/zinc/80/14/67/1023801467.db2.gz VBYCHMIKESUDGM-UHFFFAOYSA-N 0 2 313.781 3.897 20 0 DHADLN COc1cc(C)cc(NC(=O)c2cccc(Cl)c2O)c1C ZINC000787653615 1023808708 /nfs/dbraw/zinc/80/87/08/1023808708.db2.gz YAUVCEFUXIZVDL-UHFFFAOYSA-N 0 2 305.761 3.923 20 0 DHADLN O=C(N[C@@H](c1ccccc1)C1CCCC1)C(F)C(F)(F)F ZINC000788302216 1023868047 /nfs/dbraw/zinc/86/80/47/1023868047.db2.gz LQBFFCDTKWETIY-STQMWFEESA-N 0 2 303.299 3.935 20 0 DHADLN O=C(N[C@@H](c1ccccc1)C1CCCC1)[C@H](F)C(F)(F)F ZINC000788302216 1023868055 /nfs/dbraw/zinc/86/80/55/1023868055.db2.gz LQBFFCDTKWETIY-STQMWFEESA-N 0 2 303.299 3.935 20 0 DHADLN CC(C)CCC(=O)N=c1nc(-c2ccccc2Cl)[nH]s1 ZINC000599727036 1023940793 /nfs/dbraw/zinc/94/07/93/1023940793.db2.gz MMIFHOXAGKZNGQ-UHFFFAOYSA-N 0 2 309.822 3.655 20 0 DHADLN CC[C@@H](CC1CCCCC1)C(=O)Nc1ccc2nn[nH]c2c1 ZINC001137189254 1024433783 /nfs/dbraw/zinc/43/37/83/1024433783.db2.gz LUSIXUJFXFAERK-ZDUSSCGKSA-N 0 2 300.406 3.893 20 0 DHADLN CC(C)(C)[C@H](NC(=O)C(F)C(F)(F)F)c1ccc(F)cc1 ZINC000791325961 1024471193 /nfs/dbraw/zinc/47/11/93/1024471193.db2.gz BGHGKKYCWKJDRT-WDEREUQCSA-N 0 2 309.278 3.930 20 0 DHADLN CC(C)(C)[C@H](NC(=O)[C@H](F)C(F)(F)F)c1ccc(F)cc1 ZINC000791325961 1024471200 /nfs/dbraw/zinc/47/12/00/1024471200.db2.gz BGHGKKYCWKJDRT-WDEREUQCSA-N 0 2 309.278 3.930 20 0 DHADLN CN(C(=O)c1cccc(Cl)c1O)c1ccc2cc[nH]c2c1 ZINC000792575241 1024713524 /nfs/dbraw/zinc/71/35/24/1024713524.db2.gz GVWJLTCXQHEJFR-UHFFFAOYSA-N 0 2 300.745 3.804 20 0 DHADLN C[C@H](CNC(=O)c1cccc(Cl)c1O)Cc1cccs1 ZINC001126659307 1024747718 /nfs/dbraw/zinc/74/77/18/1024747718.db2.gz ALSNRUOQADOSSE-JTQLQIEISA-N 0 2 309.818 3.716 20 0 DHADLN CC(C)(C)OCc1cccc(NC(=O)c2ccc3[nH]nnc3c2)c1 ZINC000885626094 1025361968 /nfs/dbraw/zinc/36/19/68/1025361968.db2.gz SBIFTPWURFAFGH-UHFFFAOYSA-N 0 2 324.384 3.525 20 0 DHADLN Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc(F)c2)cn1 ZINC000126460277 1025511059 /nfs/dbraw/zinc/51/10/59/1025511059.db2.gz LOBMCARUCOWTDO-CYBMUJFWSA-N 0 2 310.376 3.566 20 0 DHADLN CC(C)[N@H+]1CCc2nc(C[NH+]3CC[C@@H](C)C(C)(C)C3)sc2C1 ZINC000355521375 1025753639 /nfs/dbraw/zinc/75/36/39/1025753639.db2.gz YYUHSLZRMUHWDQ-CQSZACIVSA-N 0 2 321.534 3.778 20 0 DHADLN CC(C)(C)OCc1cccc(CNC(=O)C(F)C(F)(F)F)c1 ZINC000289783479 1026171839 /nfs/dbraw/zinc/17/18/39/1026171839.db2.gz MDWUACXPGAJAPR-LBPRGKRZSA-N 0 2 321.314 3.518 20 0 DHADLN CC(C)(C)OCc1cccc(CNC(=O)[C@H](F)C(F)(F)F)c1 ZINC000289783479 1026171851 /nfs/dbraw/zinc/17/18/51/1026171851.db2.gz MDWUACXPGAJAPR-LBPRGKRZSA-N 0 2 321.314 3.518 20 0 DHADLN Cc1ccc(C2=CCN(C(=O)C(F)C(F)(F)F)CC2)cc1 ZINC000809976351 1026661667 /nfs/dbraw/zinc/66/16/67/1026661667.db2.gz MKJJDMKYDLEMNS-ZDUSSCGKSA-N 0 2 301.283 3.511 20 0 DHADLN Cc1ccc(C2=CCN(C(=O)[C@H](F)C(F)(F)F)CC2)cc1 ZINC000809976351 1026661672 /nfs/dbraw/zinc/66/16/72/1026661672.db2.gz MKJJDMKYDLEMNS-ZDUSSCGKSA-N 0 2 301.283 3.511 20 0 DHADLN CN(Cc1c(Cl)cccc1Cl)C(=O)C(F)C(F)(F)F ZINC000810076611 1026674205 /nfs/dbraw/zinc/67/42/05/1026674205.db2.gz KLGNJRKYSXFBSX-SECBINFHSA-N 0 2 318.097 3.852 20 0 DHADLN CN(Cc1c(Cl)cccc1Cl)C(=O)[C@@H](F)C(F)(F)F ZINC000810076611 1026674209 /nfs/dbraw/zinc/67/42/09/1026674209.db2.gz KLGNJRKYSXFBSX-SECBINFHSA-N 0 2 318.097 3.852 20 0 DHADLN CC(C)Oc1ccccc1[C@@H](C)NC(=O)C(F)C(F)(F)F ZINC000810149655 1026694623 /nfs/dbraw/zinc/69/46/23/1026694623.db2.gz CZYGAQSVZYQMPJ-SKDRFNHKSA-N 0 2 307.287 3.551 20 0 DHADLN CC(C)Oc1ccccc1[C@@H](C)NC(=O)[C@H](F)C(F)(F)F ZINC000810149655 1026694626 /nfs/dbraw/zinc/69/46/26/1026694626.db2.gz CZYGAQSVZYQMPJ-SKDRFNHKSA-N 0 2 307.287 3.551 20 0 DHADLN CCOc1ccccc1[C@H](CC)NC(=O)C(F)C(F)(F)F ZINC000810306394 1026746117 /nfs/dbraw/zinc/74/61/17/1026746117.db2.gz HDAMMMURRKIXFL-JQWIXIFHSA-N 0 2 307.287 3.553 20 0 DHADLN CCOc1ccccc1[C@H](CC)NC(=O)[C@H](F)C(F)(F)F ZINC000810306394 1026746125 /nfs/dbraw/zinc/74/61/25/1026746125.db2.gz HDAMMMURRKIXFL-JQWIXIFHSA-N 0 2 307.287 3.553 20 0 DHADLN CC(C)(CNC(=O)C(F)C(F)(F)F)c1ccccc1Cl ZINC000810341251 1026749442 /nfs/dbraw/zinc/74/94/42/1026749442.db2.gz DSQLUNKZPMIXAS-SNVBAGLBSA-N 0 2 311.706 3.634 20 0 DHADLN CC(C)(CNC(=O)[C@@H](F)C(F)(F)F)c1ccccc1Cl ZINC000810341251 1026749453 /nfs/dbraw/zinc/74/94/53/1026749453.db2.gz DSQLUNKZPMIXAS-SNVBAGLBSA-N 0 2 311.706 3.634 20 0 DHADLN C[C@@H](NC(=O)C(F)C(F)(F)F)c1csc2ccccc21 ZINC000810356745 1026751692 /nfs/dbraw/zinc/75/16/92/1026751692.db2.gz NZHMNYBGJYAYKP-HQJQHLMTSA-N 0 2 305.296 3.979 20 0 DHADLN C[C@@H](NC(=O)[C@H](F)C(F)(F)F)c1csc2ccccc21 ZINC000810356745 1026751697 /nfs/dbraw/zinc/75/16/97/1026751697.db2.gz NZHMNYBGJYAYKP-HQJQHLMTSA-N 0 2 305.296 3.979 20 0 DHADLN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)C(F)C(F)(F)F ZINC000810446077 1026765885 /nfs/dbraw/zinc/76/58/85/1026765885.db2.gz NZQVDQFOCBXOFB-STQMWFEESA-N 0 2 305.315 3.675 20 0 DHADLN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)[C@H](F)C(F)(F)F ZINC000810446077 1026765892 /nfs/dbraw/zinc/76/58/92/1026765892.db2.gz NZQVDQFOCBXOFB-STQMWFEESA-N 0 2 305.315 3.675 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000810493984 1026768693 /nfs/dbraw/zinc/76/86/93/1026768693.db2.gz KRFVKEMZLMENCX-QWHCGFSZSA-N 0 2 321.289 3.650 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000810493984 1026768700 /nfs/dbraw/zinc/76/87/00/1026768700.db2.gz 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CC(C)c1ccc(O[C@H](C)CNC(=O)[C@@H](F)C(F)(F)F)cc1 ZINC000811526567 1027021635 /nfs/dbraw/zinc/02/16/35/1027021635.db2.gz CULZCROCNACJCD-ZWNOBZJWSA-N 0 2 321.314 3.594 20 0 DHADLN O=C(c1cc(F)cc(Cl)c1O)N1CC[C@@H](C2CCCC2)C1 ZINC000421957308 1027089626 /nfs/dbraw/zinc/08/96/26/1027089626.db2.gz YWZZCCZCBVKTFI-LLVKDONJSA-N 0 2 311.784 3.837 20 0 DHADLN CC(C)(C(=O)NOC/C=C\Cl)c1ccc(Cl)cc1F ZINC000812403411 1027262224 /nfs/dbraw/zinc/26/22/24/1027262224.db2.gz RCQAWWSTWOQQPA-UTCJRWHESA-N 0 2 306.164 3.557 20 0 DHADLN O=C(CSc1ccc2c3c(cccc31)CC2)NOC1CCC1 ZINC000812790257 1027407933 /nfs/dbraw/zinc/40/79/33/1027407933.db2.gz MWEJCQBNWBVHHH-UHFFFAOYSA-N 0 2 313.422 3.631 20 0 DHADLN COC1(C(=O)Nc2cc(Cl)cc(Cl)c2O)CCCC1 ZINC000576084440 1027557792 /nfs/dbraw/zinc/55/77/92/1027557792.db2.gz QUKRNUZEKVCOJE-UHFFFAOYSA-N 0 2 304.173 3.597 20 0 DHADLN CN(C(=O)c1cccc(Cl)c1O)C1CCC(F)(F)CC1 ZINC000813773203 1027708832 /nfs/dbraw/zinc/70/88/32/1027708832.db2.gz JWPRBPBURRVNCM-UHFFFAOYSA-N 0 2 303.736 3.696 20 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ZINC000290465488 1030061052 /nfs/dbraw/zinc/06/10/52/1030061052.db2.gz RNZJLURRCIBTEU-HIFRSBDPSA-N 0 2 317.326 3.758 20 0 DHADLN O=C(C(F)C(F)(F)F)N1CCC(c2cccc(Cl)c2)CC1 ZINC000290892220 1030237489 /nfs/dbraw/zinc/23/74/89/1030237489.db2.gz NCZXHSUSNLSDBP-GFCCVEGCSA-N 0 2 323.717 3.946 20 0 DHADLN O=C([C@@H](F)C(F)(F)F)N1CCC(c2cccc(Cl)c2)CC1 ZINC000290892220 1030237512 /nfs/dbraw/zinc/23/75/12/1030237512.db2.gz NCZXHSUSNLSDBP-GFCCVEGCSA-N 0 2 323.717 3.946 20 0 DHADLN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C(F)C(F)(F)F)C1 ZINC000290942914 1030259521 /nfs/dbraw/zinc/25/95/21/1030259521.db2.gz WLEBUYKZCQEDCW-FXAINCCUSA-N 0 2 307.262 3.636 20 0 DHADLN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@H](F)C(F)(F)F)C1 ZINC000290942914 1030259542 /nfs/dbraw/zinc/25/95/42/1030259542.db2.gz WLEBUYKZCQEDCW-FXAINCCUSA-N 0 2 307.262 3.636 20 0 DHADLN Cc1ccc(-c2csc(NS(=O)(=O)CCC3CC3)n2)cc1 ZINC000358140134 1030340895 /nfs/dbraw/zinc/34/08/95/1030340895.db2.gz OESKKEYQJGOHGI-UHFFFAOYSA-N 0 2 322.455 3.660 20 0 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DHADLN O=C([O-])/C=C/c1ccc(Nc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001176592507 1035292992 /nfs/dbraw/zinc/29/29/92/1035292992.db2.gz GEXMEEBFCUPKAQ-XCVCLJGOSA-N 0 2 305.337 3.714 20 0 DHADLN O=C([O-])/C=C/c1ccc(Nc2ccc[nH+]c2N2CCCCC2)cc1 ZINC001176592006 1035293037 /nfs/dbraw/zinc/29/30/37/1035293037.db2.gz SRWSNBAQLHYTAB-DHZHZOJOSA-N 0 2 323.396 3.913 20 0 DHADLN COc1cccc([C@H](C)[NH+]2CCC(Nc3cccc[nH+]3)CC2)c1 ZINC000535574007 1035705740 /nfs/dbraw/zinc/70/57/40/1035705740.db2.gz RRRVDWPSLYUACU-HNNXBMFYSA-N 0 2 311.429 3.728 20 0 DHADLN CCCS(=O)(=O)Nc1nc(C)c(Cc2cccc(C)c2)s1 ZINC000539598487 1035786476 /nfs/dbraw/zinc/78/64/76/1035786476.db2.gz OAUQVHGEXFMAMP-UHFFFAOYSA-N 0 2 324.471 3.502 20 0 DHADLN C[C@H]1Cc2cc(Cl)ccc2N1C(=O)c1cc(F)c(O)c(F)c1 ZINC001181548444 1035937976 /nfs/dbraw/zinc/93/79/76/1035937976.db2.gz MZHMBSJVBXGINJ-QMMMGPOBSA-N 0 2 323.726 3.915 20 0 DHADLN C[C@@H]1Cc2cc(Cl)ccc2N1C(=O)c1cc(F)c(O)c(F)c1 ZINC001181548442 1035940045 /nfs/dbraw/zinc/94/00/45/1035940045.db2.gz 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321.602 3.730 20 0 DHADLN O=S(=O)(CC1CCCC1)Nc1cc(Cl)cc(Cl)c1O ZINC001191527241 1038515106 /nfs/dbraw/zinc/51/51/06/1038515106.db2.gz WHNBTNXRUBQCBI-UHFFFAOYSA-N 0 2 324.229 3.631 20 0 DHADLN C[C@H]1C[C@H](NC(=O)c2ccc(F)c(F)c2O)c2ccccc21 ZINC001192812049 1038703104 /nfs/dbraw/zinc/70/31/04/1038703104.db2.gz ZXFCYIXHAPYXNB-XPTSAGLGSA-N 0 2 303.308 3.649 20 0 DHADLN CC[C@H](NC(=O)c1ccc(O)c(F)c1F)c1ccccc1OC ZINC001192842557 1038707681 /nfs/dbraw/zinc/70/76/81/1038707681.db2.gz LVCVDNPHLGXPLE-LBPRGKRZSA-N 0 2 321.323 3.560 20 0 DHADLN Cc1cccc([C@@H](C)NC(=O)c2ccc(O)c(F)c2F)c1C ZINC001192849113 1038709088 /nfs/dbraw/zinc/70/90/88/1038709088.db2.gz IVGGXNCTHRBTGI-LLVKDONJSA-N 0 2 305.324 3.778 20 0 DHADLN CC(C)Cc1ccccc1NS(=O)(=O)c1cnccc1Cl ZINC001192901024 1038712323 /nfs/dbraw/zinc/71/23/23/1038712323.db2.gz XBOJRRDFQZBVKR-UHFFFAOYSA-N 0 2 324.833 3.734 20 0 DHADLN Cc1ccc(C(C)C)cc1NS(=O)(=O)c1cnccc1Cl ZINC001192896928 1038712446 /nfs/dbraw/zinc/71/24/46/1038712446.db2.gz FQFDOMIOJIEDLF-UHFFFAOYSA-N 0 2 324.833 3.968 20 0 DHADLN O=C(Nc1ccc(F)c2cnccc12)c1cc(F)c(O)cc1F ZINC001192880047 1038715721 /nfs/dbraw/zinc/71/57/21/1038715721.db2.gz ULUAQAZJWOEOHG-UHFFFAOYSA-N 0 2 318.254 3.610 20 0 DHADLN O=C(Nc1cccc2cc(O)ccc21)c1cc(F)c(O)cc1F ZINC001192879934 1038716428 /nfs/dbraw/zinc/71/64/28/1038716428.db2.gz SITVELKJGWNHKP-UHFFFAOYSA-N 0 2 315.275 3.782 20 0 DHADLN CCN(Cc1nc(=O)c2sccc2[nH]1)c1ccc(C)cc1C ZINC000171631313 1039558775 /nfs/dbraw/zinc/55/87/75/1039558775.db2.gz OUCCDIDXRKMDLM-UHFFFAOYSA-N 0 2 313.426 3.628 20 0 DHADLN N#CC(C(=O)Cc1ccc(F)cc1)c1nc2ccccc2s1 ZINC000046441654 1039638023 /nfs/dbraw/zinc/63/80/23/1039638023.db2.gz WSHYPNKWLKSDHK-ZDUSSCGKSA-N 0 2 310.353 3.854 20 0 DHADLN N#C[C@@H](C(=O)Cc1ccc(F)cc1)c1nc2ccccc2s1 ZINC000046441654 1039638038 /nfs/dbraw/zinc/63/80/38/1039638038.db2.gz WSHYPNKWLKSDHK-ZDUSSCGKSA-N 0 2 310.353 3.854 20 0 DHADLN Cc1ccsc1S(=O)(=O)Nc1cccc(Cl)c1C ZINC000607610585 1040206192 /nfs/dbraw/zinc/20/61/92/1040206192.db2.gz GPEFURIFAKSPFA-UHFFFAOYSA-N 0 2 301.820 3.819 20 0 DHADLN CCc1cccc(NS(=O)(=O)c2ccc(Cl)s2)c1 ZINC000006653721 181365723 /nfs/dbraw/zinc/36/57/23/181365723.db2.gz REUNPGTVFHPMTF-UHFFFAOYSA-N 0 2 301.820 3.765 20 0 DHADLN COc1cc(C)[nH+]c(CNc2ccc([C@@H](C)CC(=O)[O-])cc2)c1 ZINC000417610612 335010590 /nfs/dbraw/zinc/01/05/90/335010590.db2.gz NRBVXNKCQALPCU-LBPRGKRZSA-N 0 2 314.385 3.589 20 0 DHADLN O=S(=O)(Nc1ccc2ccccc2c1)c1cc(F)ccc1F ZINC000008104979 181526906 /nfs/dbraw/zinc/52/69/06/181526906.db2.gz LHPZSSMXRZJZMZ-UHFFFAOYSA-N 0 2 319.332 3.919 20 0 DHADLN Cc1ccc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)s1 ZINC000119779087 195035990 /nfs/dbraw/zinc/03/59/90/195035990.db2.gz VXITVVGXBRBFPD-UHFFFAOYSA-N 0 2 320.395 3.512 20 0 DHADLN Cc1cc(S(=O)(=O)Nc2ncsc2C(C)C)c(C)s1 ZINC000288329930 131320529 /nfs/dbraw/zinc/32/05/29/131320529.db2.gz VKDQCKKQZKGWGG-UHFFFAOYSA-N 0 2 316.473 3.746 20 0 DHADLN CO[C@H](C(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl)C1CC1 ZINC000298124928 132047807 /nfs/dbraw/zinc/04/78/07/132047807.db2.gz BDVZSCBVNKANLC-NSHDSACASA-N 0 2 324.591 3.716 20 0 DHADLN CC[C@H](C)c1ccc(S(=O)(=O)Nc2c(C)noc2C)cc1 ZINC000299467406 132106961 /nfs/dbraw/zinc/10/69/61/132106961.db2.gz AMKFLHXRJRANIU-JTQLQIEISA-N 0 2 308.403 3.606 20 0 DHADLN CCC(CC)(CC)C[NH2+][C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000559917771 332292771 /nfs/dbraw/zinc/29/27/71/332292771.db2.gz BXNCYYGHRNEQMS-MRXNPFEDSA-N 0 2 304.413 3.839 20 0 DHADLN Cc1cscc1NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000560010152 332302380 /nfs/dbraw/zinc/30/23/80/332302380.db2.gz JYMLAOKKUMDJIB-UHFFFAOYSA-N 0 2 323.773 3.789 20 0 DHADLN CC(C)c1cccc(NC(=O)C2=NN(c3ccccc3)CC2=O)c1 ZINC000561014126 332401173 /nfs/dbraw/zinc/40/11/73/332401173.db2.gz KLRCTWOLOCXBJX-UHFFFAOYSA-N 0 2 321.380 3.954 20 0 DHADLN CN(Cc1cccc(Cl)c1)C(=O)c1cc(F)c(O)c(F)c1 ZINC000176950269 332963907 /nfs/dbraw/zinc/96/39/07/332963907.db2.gz LIRGWJRGFBJJPN-UHFFFAOYSA-N 0 2 311.715 3.596 20 0 DHADLN CCc1ccc([C@@H](C)NC(=O)c2cc(F)c(O)c(F)c2)cc1 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ZINC000473820122 339392683 /nfs/dbraw/zinc/39/26/83/339392683.db2.gz BLRHEAIZIJVVHH-SNVBAGLBSA-N 0 2 324.475 3.697 20 0 DHADLN CC[C@@H](C)[C@@H](OC)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000476514393 339477909 /nfs/dbraw/zinc/47/79/09/339477909.db2.gz SCFAKIZLKBGGFV-JMCQJSRRSA-N 0 2 306.189 3.699 20 0 DHADLN CO[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000495501862 339986220 /nfs/dbraw/zinc/98/62/20/339986220.db2.gz LPSSHUBBBFICFI-JOYOIKCWSA-N 0 2 318.200 3.843 20 0 DHADLN CCCCOc1ccccc1NS(=O)(=O)c1ccsc1 ZINC000506676841 340199329 /nfs/dbraw/zinc/19/93/29/340199329.db2.gz RBPYWVANZLROCH-UHFFFAOYSA-N 0 2 311.428 3.728 20 0 DHADLN CO[C@@H](C)c1nsc(N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000509833915 340281078 /nfs/dbraw/zinc/28/10/78/340281078.db2.gz HQYKOCHSZMUDHX-GAFUQQFSSA-N 0 2 323.849 3.679 20 0 DHADLN CCCC[C@@H](C)N(C)C(=O)N=c1nc(-c2ccccc2)[nH]s1 ZINC000517265251 340467190 /nfs/dbraw/zinc/46/71/90/340467190.db2.gz UZVMETRHYRXLLR-GFCCVEGCSA-N 0 2 318.446 3.669 20 0 DHADLN COc1ccc(NS(=O)(=O)c2cc(C)c(Cl)s2)cc1 ZINC000190182155 340543421 /nfs/dbraw/zinc/54/34/21/340543421.db2.gz MQZHKVAQUYNWIA-UHFFFAOYSA-N 0 2 317.819 3.519 20 0 DHADLN Cc1ccsc1S(=O)(=O)Nc1ccc(Cl)c(F)c1 ZINC000525019000 340687215 /nfs/dbraw/zinc/68/72/15/340687215.db2.gz NORSCZNGDVGHKH-UHFFFAOYSA-N 0 2 305.783 3.650 20 0 DHADLN CC[C@H](CCc1ccccc1)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000529798215 340769619 /nfs/dbraw/zinc/76/96/19/340769619.db2.gz AEXOERPROROGAK-CQSZACIVSA-N 0 2 319.351 3.812 20 0 DHADLN Cc1scnc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000530140124 340780781 /nfs/dbraw/zinc/78/07/81/340780781.db2.gz DRXRPXMMTSJIHK-UHFFFAOYSA-N 0 2 310.444 3.550 20 0 DHADLN CSc1ccc(C)c(NS(=O)(=O)c2ccc(C)s2)c1 ZINC000539398565 340883837 /nfs/dbraw/zinc/88/38/37/340883837.db2.gz DLQKEECCNBCTPT-UHFFFAOYSA-N 0 2 313.469 3.888 20 0 DHADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(O)c2)s1 ZINC000134610988 341219697 /nfs/dbraw/zinc/21/96/97/341219697.db2.gz GBKAEOJAYQFQLW-UHFFFAOYSA-N 0 2 311.428 3.552 20 0 DHADLN O=C(Nc1c(O)cccc1Cl)c1cc(F)cc(Cl)c1O ZINC000552780748 341404146 /nfs/dbraw/zinc/40/41/46/341404146.db2.gz NUPLNWZMNKVJIM-UHFFFAOYSA-N 0 2 316.115 3.796 20 0 DHADLN O=C(Nc1c(O)c(Cl)cc(Cl)c1Cl)[C@H]1CCC(=O)C1 ZINC000566739350 341566739 /nfs/dbraw/zinc/56/67/39/341566739.db2.gz CQRLPLFQTCVHMJ-YFKPBYRVSA-N 0 2 322.575 3.660 20 0 DHADLN CCCS(=O)(=O)Nc1nc(-c2ccc(Cl)s2)cs1 ZINC000192736698 341885200 /nfs/dbraw/zinc/88/52/00/341885200.db2.gz UCPVQGDGRVTBDB-UHFFFAOYSA-N 0 2 322.864 3.677 20 0 DHADLN CCc1nc(CC(=O)N(c2ccccn2)C2CCCC2)cs1 ZINC000154625062 522249585 /nfs/dbraw/zinc/24/95/85/522249585.db2.gz XJTJQLBQVPUDHF-UHFFFAOYSA-N 0 2 315.442 3.619 20 0 DHADLN CC[C@H]1CCC[C@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1 ZINC000182825173 523141405 /nfs/dbraw/zinc/14/14/05/523141405.db2.gz OVGLHLGZCGRXAL-IUCAKERBSA-N 0 2 301.308 3.508 20 0 DHADLN C[C@@H](C(=O)Nc1cc(Cl)c(O)c(Cl)c1)c1ccccn1 ZINC000339349016 524244861 /nfs/dbraw/zinc/24/48/61/524244861.db2.gz XRQIRIPWJLGQSN-MRVPVSSYSA-N 0 2 311.168 3.836 20 0 DHADLN Cc1ccsc1S(=O)(=O)Nc1ccc(F)c(C2CC2)c1 ZINC000337163347 525868804 /nfs/dbraw/zinc/86/88/04/525868804.db2.gz WQMBDSKFVUGXNE-UHFFFAOYSA-N 0 2 311.403 3.874 20 0 DHADLN CC(C)c1cc(NS(=O)(=O)c2ccc(C(F)F)cc2)no1 ZINC000288520458 535370107 /nfs/dbraw/zinc/37/01/07/535370107.db2.gz GHOQWJLIDSISJL-UHFFFAOYSA-N 0 2 316.329 3.536 20 0 DHADLN O=C([O-])c1ccc2[nH]c3c(c2c1)C[N@H+](Cc1cccc(F)c1)CC3 ZINC000740188575 599796346 /nfs/dbraw/zinc/79/63/46/599796346.db2.gz CFBALLOEVTVBNW-UHFFFAOYSA-N 0 2 324.355 3.564 20 0 DHADLN O=C([O-])c1ccc2[nH]c3c(c2c1)C[N@@H+](Cc1cccc(F)c1)CC3 ZINC000740188575 599796347 /nfs/dbraw/zinc/79/63/47/599796347.db2.gz CFBALLOEVTVBNW-UHFFFAOYSA-N 0 2 324.355 3.564 20 0 DHADLN C[C@@H]([NH2+][C@H](C(=O)[O-])c1ccccc1)c1nc2ccccc2s1 ZINC000315184949 600438678 /nfs/dbraw/zinc/43/86/78/600438678.db2.gz JJHAHMBCAPCSRH-ABAIWWIYSA-N 0 2 312.394 3.773 20 0 DHADLN CCC[N@@H+](CC(=O)[O-])Cn1c(-c2ccccc2)csc1=S ZINC000829475892 601299675 /nfs/dbraw/zinc/29/96/75/601299675.db2.gz UXDZBTFEKBBYJN-UHFFFAOYSA-N 0 2 322.455 3.700 20 0 DHADLN CCC[N@H+](CC(=O)[O-])Cn1c(-c2ccccc2)csc1=S ZINC000829475892 601299677 /nfs/dbraw/zinc/29/96/77/601299677.db2.gz UXDZBTFEKBBYJN-UHFFFAOYSA-N 0 2 322.455 3.700 20 0 DHADLN CCc1oc(C(=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000830368799 601415755 /nfs/dbraw/zinc/41/57/55/601415755.db2.gz CPTFKVVBFYYYNL-GFCCVEGCSA-N 0 2 320.414 3.724 20 0 DHADLN CCc1oc(C(=O)[O-])cc1C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000830368799 601415757 /nfs/dbraw/zinc/41/57/57/601415757.db2.gz CPTFKVVBFYYYNL-GFCCVEGCSA-N 0 2 320.414 3.724 20 0 DHADLN Cc1sc(C(=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000833032659 601626028 /nfs/dbraw/zinc/62/60/28/601626028.db2.gz KSVSOYJCHGYKBR-GFCCVEGCSA-N 0 2 322.455 3.938 20 0 DHADLN Cc1sc(C(=O)[O-])cc1C[N@H+]1CCCC[C@@H]1c1nccs1 ZINC000833032659 601626030 /nfs/dbraw/zinc/62/60/30/601626030.db2.gz KSVSOYJCHGYKBR-GFCCVEGCSA-N 0 2 322.455 3.938 20 0 DHADLN CC[N@H+](Cc1ccsc1C(=O)[O-])Cc1c(F)cccc1F ZINC000565101715 601821264 /nfs/dbraw/zinc/82/12/64/601821264.db2.gz USRVOITXAKFOLB-UHFFFAOYSA-N 0 2 311.353 3.747 20 0 DHADLN CC[N@@H+](Cc1ccsc1C(=O)[O-])Cc1c(F)cccc1F ZINC000565101715 601821266 /nfs/dbraw/zinc/82/12/66/601821266.db2.gz USRVOITXAKFOLB-UHFFFAOYSA-N 0 2 311.353 3.747 20 0 DHADLN C[C@@H](c1ccccn1)[N@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833549005 605843888 /nfs/dbraw/zinc/84/38/88/605843888.db2.gz JQAXDJYHDSPKHO-NSHDSACASA-N 0 2 304.777 3.626 20 0 DHADLN C[C@@H](c1ccccn1)[N@@H+](C)Cc1cc(C(=O)[O-])ccc1Cl ZINC000833549005 605843891 /nfs/dbraw/zinc/84/38/91/605843891.db2.gz JQAXDJYHDSPKHO-NSHDSACASA-N 0 2 304.777 3.626 20 0 DHADLN