smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=COc1ccc(NC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001670839358 1125461559 /nfs/dbraw/zinc/46/15/59/1125461559.db2.gz WFVWCQZUVKGJPB-GFCCVEGCSA-N 0 0 298.342 3.797 20 10 CHCDRN Oc1ccc(F)cc1CNc1cc(F)cc(Cl)c1 ZINC000226581230 1119203522 /nfs/dbraw/zinc/20/35/22/1119203522.db2.gz LOCPKADAEDFSPO-UHFFFAOYSA-N 0 0 269.678 3.936 20 10 CHCDRN C[C@@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)c1ccccc1 ZINC001593198296 994170531 /nfs/dbraw/zinc/17/05/31/994170531.db2.gz PVAOXUFTWKHALJ-VXGBXAGGSA-N 0 0 285.343 3.502 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1ccsc1)c1cc(C(=O)[O-])ccc1O ZINC001593198946 994177329 /nfs/dbraw/zinc/17/73/29/994177329.db2.gz WBGQLWMBILQEHT-VHSXEESVSA-N 0 0 291.372 3.564 20 10 CHCDRN CCCC[C@H](CC)C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000725841352 1121579363 /nfs/dbraw/zinc/57/93/63/1121579363.db2.gz AZHIEUQHQWZNTN-LBPRGKRZSA-N 0 0 280.368 3.606 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1C=CCC1 ZINC000711659033 1122311364 /nfs/dbraw/zinc/31/13/64/1122311364.db2.gz DINVAAJVJFENNX-SECBINFHSA-N 0 0 272.175 3.755 20 10 CHCDRN C[C@@H](CN(C)C(=O)C1=CC(=O)CS1)C1CCCCC1 ZINC000863046525 1123841132 /nfs/dbraw/zinc/84/11/32/1123841132.db2.gz MMSYVPSQCTXFQZ-NSHDSACASA-N 0 0 281.421 3.742 20 10 CHCDRN C[C@H]1CCC[C@@H](C(=O)NCCCSc2nccs2)C1 ZINC000120360894 1123956223 /nfs/dbraw/zinc/95/62/23/1123956223.db2.gz AMBMACZUFUVYAG-NWDGAFQWSA-N 0 0 298.477 3.568 20 10 CHCDRN CCC(=CC(=O)N[C@H](C)c1ccc(N(C)C)cc1)CC ZINC000773017002 1131920050 /nfs/dbraw/zinc/92/00/50/1131920050.db2.gz GDPYSNQCLPCPQB-CYBMUJFWSA-N 0 0 274.408 3.676 20 10 CHCDRN CCC[N@@H+](Cc1cc(Cl)c(C)cc1O)CC1CC1 ZINC001231869700 1132383948 /nfs/dbraw/zinc/38/39/48/1132383948.db2.gz WMLQHYRYYVQVKC-UHFFFAOYSA-N 0 0 267.800 3.976 20 10 CHCDRN C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(Cl)cc1[O-] ZINC000841754623 1132391979 /nfs/dbraw/zinc/39/19/79/1132391979.db2.gz UDKDOMDXEKEIRR-YPMHNXCESA-N 0 0 283.799 3.655 20 10 CHCDRN C[N@@H+](Cc1cccc(C(F)(F)F)c1[O-])C[C@@H]1CC1(C)C ZINC001233418688 1132619823 /nfs/dbraw/zinc/61/98/23/1132619823.db2.gz RFHIMCWKERWOMF-NSHDSACASA-N 0 0 287.325 3.889 20 10 CHCDRN Cc1cccc(F)c1NC(=O)N[C@H](C)c1ccccc1O ZINC001202709441 1125527575 /nfs/dbraw/zinc/52/75/75/1125527575.db2.gz NPGUWJLJKWPKMM-LLVKDONJSA-N 0 0 288.322 3.722 20 10 CHCDRN CSC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000193656438 1125549201 /nfs/dbraw/zinc/54/92/01/1125549201.db2.gz CRXWDVKTYJQTNO-UHFFFAOYSA-N 0 0 292.231 3.684 20 10 CHCDRN C[C@@H]([NH2+]C1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000134901800 1125569872 /nfs/dbraw/zinc/56/98/72/1125569872.db2.gz IIARKKOJTKIZHJ-ZCFIWIBFSA-N 0 0 290.588 3.621 20 10 CHCDRN OCCCc1cccc(NCc2c(O)cccc2Cl)c1 ZINC000136224042 1125623768 /nfs/dbraw/zinc/62/37/68/1125623768.db2.gz CFHOOXIZDQWCMZ-UHFFFAOYSA-N 0 0 291.778 3.583 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C)c(C)o1 ZINC000137070381 1125649166 /nfs/dbraw/zinc/64/91/66/1125649166.db2.gz HKGSNKBBTDFLRC-UHFFFAOYSA-N 0 0 287.359 3.654 20 10 CHCDRN Cc1cnc([C@H](C)C[NH2+][C@@H](C)c2c([O-])cccc2F)s1 ZINC000886589837 1125694161 /nfs/dbraw/zinc/69/41/61/1125694161.db2.gz HGYNBFCVIIPRSR-KOLCDFICSA-N 0 0 294.395 3.751 20 10 CHCDRN C[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1c([O-])cccc1F ZINC000886619161 1125699864 /nfs/dbraw/zinc/69/98/64/1125699864.db2.gz VGXNAVZDGBQMTC-PELKAZGASA-N 0 0 292.181 3.766 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1c([O-])cccc1F ZINC000886634536 1125700380 /nfs/dbraw/zinc/70/03/80/1125700380.db2.gz GRSMLNJPAWNUGN-CHWSQXEVSA-N 0 0 293.382 3.674 20 10 CHCDRN C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCCO1)c1c([O-])cccc1F ZINC000886632929 1125700890 /nfs/dbraw/zinc/70/08/90/1125700890.db2.gz JSCBKMUTQRQZAW-XNJJOIOASA-N 0 0 293.382 3.530 20 10 CHCDRN Cc1ncc([C@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)s1 ZINC000886645390 1125701982 /nfs/dbraw/zinc/70/19/82/1125701982.db2.gz XYGNABXSFYEDBZ-IUCAKERBSA-N 0 0 280.368 3.708 20 10 CHCDRN Cc1ccc(O)c([C@@H](C)Nc2cccc(CCCO)c2)c1 ZINC000139031387 1125720095 /nfs/dbraw/zinc/72/00/95/1125720095.db2.gz JXWKSVSJNXQABN-CQSZACIVSA-N 0 0 285.387 3.799 20 10 CHCDRN CN(c1ccc(N)cc1)c1cc(Cl)nc(Cl)c1 ZINC001212099480 1125733296 /nfs/dbraw/zinc/73/32/96/1125733296.db2.gz HZGNININMQJBRB-UHFFFAOYSA-N 0 0 268.147 3.739 20 10 CHCDRN C[N@H+](Cc1cc(Cl)ccc1[O-])C(C1CC1)C1CC1 ZINC000092704033 1129405031 /nfs/dbraw/zinc/40/50/31/1129405031.db2.gz RMPWLFLRKVSRSE-UHFFFAOYSA-N 0 0 265.784 3.666 20 10 CHCDRN COc1ccc(N(C)Cc2csc(C3CC3)n2)cc1F ZINC000135753742 1126721359 /nfs/dbraw/zinc/72/13/59/1126721359.db2.gz RCPJYCDAVUMWKA-UHFFFAOYSA-N 0 0 292.379 3.805 20 10 CHCDRN Cc1ccc(C)c(NC(=O)N2CCc3cccc(O)c3C2)c1 ZINC001202765788 1126769666 /nfs/dbraw/zinc/76/96/66/1126769666.db2.gz VLAOPJMVCJYJMM-UHFFFAOYSA-N 0 0 296.370 3.599 20 10 CHCDRN CC(C)n1ccc(COc2ccc(N3CCCC3)cc2)n1 ZINC000178194956 1126810067 /nfs/dbraw/zinc/81/00/67/1126810067.db2.gz ZHAAWPKYKAOFBS-UHFFFAOYSA-N 0 0 285.391 3.643 20 10 CHCDRN Cc1cc(C)nc(Sc2ncc(C(C)(C)C)s2)n1 ZINC000758172519 1130602279 /nfs/dbraw/zinc/60/22/79/1130602279.db2.gz OVXAHONXLVVQPN-UHFFFAOYSA-N 0 0 279.434 3.999 20 10 CHCDRN CSCC[C@@H](C)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000180350050 1126842691 /nfs/dbraw/zinc/84/26/91/1126842691.db2.gz JEJKVEUZVHFMMT-SNVBAGLBSA-N 0 0 273.829 3.619 20 10 CHCDRN Nc1ccc(NC(=O)NCCC2CCC(F)(F)CC2)cc1 ZINC000904499111 1126855318 /nfs/dbraw/zinc/85/53/18/1126855318.db2.gz BONIAEWRDDXQAX-UHFFFAOYSA-N 0 0 297.349 3.606 20 10 CHCDRN CC(C)(C)c1cnc(SCc2ccno2)s1 ZINC000759717864 1130671209 /nfs/dbraw/zinc/67/12/09/1130671209.db2.gz HRESDVPSEUDWRB-UHFFFAOYSA-N 0 0 254.380 3.721 20 10 CHCDRN Cc1ccc(C[C@@H](C)C(=O)N(C)Cc2ccccc2O)cc1 ZINC000182407150 1126871932 /nfs/dbraw/zinc/87/19/32/1126871932.db2.gz AUAFXDNUJRCGLV-OAHLLOKOSA-N 0 0 297.398 3.538 20 10 CHCDRN C[C@H](c1cccnc1)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000183729083 1126891821 /nfs/dbraw/zinc/89/18/21/1126891821.db2.gz VFFRRASEFHKEEU-LLVKDONJSA-N 0 0 276.767 3.634 20 10 CHCDRN O=C(c1cccc(O)c1O)N(CC1CCC1)c1ccccc1 ZINC000185816920 1126903280 /nfs/dbraw/zinc/90/32/80/1126903280.db2.gz BZMBGMYDDMXVAN-UHFFFAOYSA-N 0 0 297.354 3.545 20 10 CHCDRN COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187736175 1126914039 /nfs/dbraw/zinc/91/40/39/1126914039.db2.gz DPGOBQSNAAAINN-ZJUUUORDSA-N 0 0 287.350 3.525 20 10 CHCDRN CC[C@@H](Nc1ccc(OC2COC2)cc1)c1ccccc1O ZINC000188639120 1126924556 /nfs/dbraw/zinc/92/45/56/1126924556.db2.gz ILMZKRKWAUVIIG-QGZVFWFLSA-N 0 0 299.370 3.733 20 10 CHCDRN C[C@@H]([NH2+]CCc1cccs1)c1ccc(F)c(F)c1[O-] ZINC000191184723 1126949207 /nfs/dbraw/zinc/94/92/07/1126949207.db2.gz ACEUUKNPEXVDOQ-SECBINFHSA-N 0 0 283.343 3.625 20 10 CHCDRN Oc1ccccc1C[N@H+](Cc1cocn1)C1CCCCC1 ZINC000191919469 1126957067 /nfs/dbraw/zinc/95/70/67/1126957067.db2.gz BFLNKEUYKROGNT-UHFFFAOYSA-N 0 0 286.375 3.715 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CCCO1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192595940 1126962280 /nfs/dbraw/zinc/96/22/80/1126962280.db2.gz IBOZEQYSQTYRML-DTWKUNHWSA-N 0 0 290.190 3.529 20 10 CHCDRN C[C@H]([NH2+]C1CCOCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192702003 1126963271 /nfs/dbraw/zinc/96/32/71/1126963271.db2.gz APGIYNPINRJDGS-QMMMGPOBSA-N 0 0 290.190 3.529 20 10 CHCDRN CN(C)c1ccc(CN(C)C(=O)CCC(C)(C)C)cc1 ZINC000155224237 1126965653 /nfs/dbraw/zinc/96/56/53/1126965653.db2.gz QJLFOLYORBWNLK-UHFFFAOYSA-N 0 0 276.424 3.537 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C(CC)CC ZINC000193000223 1126965993 /nfs/dbraw/zinc/96/59/93/1126965993.db2.gz LJSMLOBRSGKTQA-UHFFFAOYSA-N 0 0 263.381 3.567 20 10 CHCDRN CCC[NH+](CCC)Cc1c(O)ccc2ccncc21 ZINC000913058304 1127121242 /nfs/dbraw/zinc/12/12/42/1127121242.db2.gz XGOZXKYIFULWDH-UHFFFAOYSA-N 0 0 258.365 3.562 20 10 CHCDRN C[C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)[C@H](C)C1 ZINC001237122997 1131054762 /nfs/dbraw/zinc/05/47/62/1131054762.db2.gz AUFVOHXOBXLEPY-NXEZZACHSA-N 0 0 271.763 3.805 20 10 CHCDRN Oc1ccccc1CNc1ccc2ccccc2n1 ZINC000163774241 1127143411 /nfs/dbraw/zinc/14/34/11/1127143411.db2.gz RACHNDGBSAMOTH-UHFFFAOYSA-N 0 0 250.301 3.553 20 10 CHCDRN C[N@H+](Cc1cccs1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816480919 1131098099 /nfs/dbraw/zinc/09/80/99/1131098099.db2.gz BKLOJYDRARLOEU-UHFFFAOYSA-N 0 0 285.771 3.878 20 10 CHCDRN CC[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1ccccc1O ZINC000156786420 1127183974 /nfs/dbraw/zinc/18/39/74/1127183974.db2.gz OPOMBGJTTSAIEP-PVAVHDDUSA-N 0 0 291.435 3.764 20 10 CHCDRN CN(C(=O)/C=C/c1cccnc1)c1cccc2ccccc21 ZINC000056225536 1127205807 /nfs/dbraw/zinc/20/58/07/1127205807.db2.gz MGPLMAJAITVNEF-VAWYXSNFSA-N 0 0 288.350 3.911 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(F)cc1[O-] ZINC000285519489 1127234591 /nfs/dbraw/zinc/23/45/91/1127234591.db2.gz DXEHUFSRQBXGIT-XHDPSFHLSA-N 0 0 274.339 3.728 20 10 CHCDRN Cc1ccnc([C@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC000285651378 1127239720 /nfs/dbraw/zinc/23/97/20/1127239720.db2.gz MGPDDFWBVBMTJP-INIZCTEOSA-N 0 0 295.430 3.841 20 10 CHCDRN CC[C@@H]([NH2+]CC(C)(C)CCOC)c1ccc(F)cc1[O-] ZINC000285944198 1127247820 /nfs/dbraw/zinc/24/78/20/1127247820.db2.gz DOQJJJNKUVULEL-CQSZACIVSA-N 0 0 283.387 3.635 20 10 CHCDRN CC[C@@H](Nc1cnn(CC(F)F)c1)c1ccc(F)cc1O ZINC000285970895 1127249691 /nfs/dbraw/zinc/24/96/91/1127249691.db2.gz GAUOOXSFDPALAD-GFCCVEGCSA-N 0 0 299.296 3.556 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1ccc(F)cc1[O-] ZINC000286109866 1127258398 /nfs/dbraw/zinc/25/83/98/1127258398.db2.gz NPKCQISKASSRGF-CYBMUJFWSA-N 0 0 294.757 3.821 20 10 CHCDRN CC[C@@H](CO)[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000286939904 1127275713 /nfs/dbraw/zinc/27/57/13/1127275713.db2.gz LZBJYVFASRZERB-CABZTGNLSA-N 0 0 292.206 3.511 20 10 CHCDRN CC[C@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)c1cccc(Cl)c1[O-] ZINC000287683891 1127312168 /nfs/dbraw/zinc/31/21/68/1127312168.db2.gz MTJUJPIJYLILAV-HUBLWGQQSA-N 0 0 297.826 3.901 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H]1CCCCO1)c1cccc(Cl)c1[O-] ZINC000287697961 1127312698 /nfs/dbraw/zinc/31/26/98/1127312698.db2.gz NNJJVFPDCWVNRD-FZMZJTMJSA-N 0 0 283.799 3.655 20 10 CHCDRN CCOCCCC[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000287768532 1127313597 /nfs/dbraw/zinc/31/35/97/1127313597.db2.gz RJOOYJCONFSUEZ-CQSZACIVSA-N 0 0 285.815 3.903 20 10 CHCDRN Cc1cccc(CNc2ccc3ncsc3c2)c1O ZINC000225930452 1127359585 /nfs/dbraw/zinc/35/95/85/1127359585.db2.gz TXDXXBKGSVYUHC-UHFFFAOYSA-N 0 0 270.357 3.922 20 10 CHCDRN CCCC[C@H](CCC)NC(=O)Nc1ccc(N)cc1 ZINC000226086943 1127367746 /nfs/dbraw/zinc/36/77/46/1127367746.db2.gz OILUYZRTBPKMBR-ZDUSSCGKSA-N 0 0 263.385 3.749 20 10 CHCDRN Cc1ccsc1CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001308350394 1127368641 /nfs/dbraw/zinc/36/86/41/1127368641.db2.gz SZAHIRBBMIRBHR-UHFFFAOYSA-N 0 0 299.798 3.887 20 10 CHCDRN CCCC[C@H](CC)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000157837907 1127397030 /nfs/dbraw/zinc/39/70/30/1127397030.db2.gz BEAWMQHYAGCVBV-STQMWFEESA-N 0 0 293.407 3.794 20 10 CHCDRN CCOc1cc(F)ccc1NCc1cc(F)ccc1O ZINC000226580890 1127411642 /nfs/dbraw/zinc/41/16/42/1127411642.db2.gz LTKUGDQCSMZTSG-UHFFFAOYSA-N 0 0 279.286 3.681 20 10 CHCDRN CN(C)c1ccc(NCc2cc(F)ccc2O)cc1Cl ZINC000226581633 1127411646 /nfs/dbraw/zinc/41/16/46/1127411646.db2.gz FDEHWVODMCTONV-UHFFFAOYSA-N 0 0 294.757 3.863 20 10 CHCDRN COc1ccc(Cl)cc1NCc1cc(F)ccc1O ZINC000226581068 1127411706 /nfs/dbraw/zinc/41/17/06/1127411706.db2.gz CIGYPHWQLSTXAR-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN COc1ccc(OC)c(NCc2cccc(Cl)c2O)c1 ZINC000158054295 1127415234 /nfs/dbraw/zinc/41/52/34/1127415234.db2.gz PTAIEUMMHSUWSQ-UHFFFAOYSA-N 0 0 293.750 3.675 20 10 CHCDRN CCN(CC)C(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000060192455 1127508844 /nfs/dbraw/zinc/50/88/44/1127508844.db2.gz XZXIOBIDWAXXEW-UHFFFAOYSA-N 0 0 284.403 3.885 20 10 CHCDRN CCCc1nc(C)c(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])o1 ZINC000293644592 1127510117 /nfs/dbraw/zinc/51/01/17/1127510117.db2.gz LAAVSHYBNSDEEL-JTQLQIEISA-N 0 0 292.354 3.631 20 10 CHCDRN C[C@@H](c1cccnc1)[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293748644 1127517479 /nfs/dbraw/zinc/51/74/79/1127517479.db2.gz XWASRFMNVJXZFL-JTQLQIEISA-N 0 0 294.757 3.773 20 10 CHCDRN COc1ccc(N(C)Cc2cccc3[nH]ccc32)cc1OC ZINC000761221312 1127546135 /nfs/dbraw/zinc/54/61/35/1127546135.db2.gz HXKMNNWYVJEYBA-UHFFFAOYSA-N 0 0 296.370 3.822 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SCC(=O)C(C)(C)C ZINC000060733109 1127568452 /nfs/dbraw/zinc/56/84/52/1127568452.db2.gz QLUKJZOLQCHRCU-UHFFFAOYSA-N 0 0 288.416 3.794 20 10 CHCDRN Cc1cccnc1CCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000296603993 1127677825 /nfs/dbraw/zinc/67/78/25/1127677825.db2.gz VVEICMVJQPVDSP-ZDUSSCGKSA-N 0 0 288.366 3.518 20 10 CHCDRN C[C@H]([NH2+]CC(C)(C)c1ccccn1)c1ccc(F)cc1[O-] ZINC000297394019 1127695737 /nfs/dbraw/zinc/69/57/37/1127695737.db2.gz RZOKPPVYHAWOKN-LBPRGKRZSA-N 0 0 288.366 3.555 20 10 CHCDRN Oc1cccc2c1[C@@H](Nc1ccccc1OCCF)CC2 ZINC000297475484 1127697624 /nfs/dbraw/zinc/69/76/24/1127697624.db2.gz YVEMGXCRRHICJX-AWEZNQCLSA-N 0 0 287.334 3.840 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)c1cccc(C(F)F)c1 ZINC000171457327 1127708327 /nfs/dbraw/zinc/70/83/27/1127708327.db2.gz QTMDVYYTYRLZBH-UHFFFAOYSA-N 0 0 291.297 3.602 20 10 CHCDRN CCCCc1noc([C@@H](C)Sc2nccs2)n1 ZINC000299014971 1127737669 /nfs/dbraw/zinc/73/76/69/1127737669.db2.gz DJCVKKVULOBTAT-MRVPVSSYSA-N 0 0 269.395 3.722 20 10 CHCDRN Cc1ncc(/C=C/C(=O)N(C)c2cc(C)ccc2C)s1 ZINC000171992915 1127739735 /nfs/dbraw/zinc/73/97/35/1127739735.db2.gz PXCQDRRXBRRIOH-BQYQJAHWSA-N 0 0 286.400 3.745 20 10 CHCDRN Cc1cc(C)cc(NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000010262662 1127761343 /nfs/dbraw/zinc/76/13/43/1127761343.db2.gz UDWLCMUGHUPEJG-UHFFFAOYSA-N 0 0 297.402 3.691 20 10 CHCDRN CC(=O)Nc1cccc(N[C@H](C)c2ccc(F)cc2O)c1 ZINC000062744845 1127772265 /nfs/dbraw/zinc/77/22/65/1127772265.db2.gz OFRHBJZQRKKAIW-SNVBAGLBSA-N 0 0 288.322 3.663 20 10 CHCDRN C[C@H]([NH2+]CCCc1ccccc1)c1ccc(F)cc1[O-] ZINC000062744996 1127772274 /nfs/dbraw/zinc/77/22/74/1127772274.db2.gz QLMUCEYOAJXSQG-ZDUSSCGKSA-N 0 0 273.351 3.815 20 10 CHCDRN C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000062745071 1127772328 /nfs/dbraw/zinc/77/23/28/1127772328.db2.gz LMEBTNSMXXWCGZ-OLZOCXBDSA-N 0 0 273.351 3.986 20 10 CHCDRN CCCN(C)C(=O)c1sccc1-n1c(C)ccc1C ZINC000063679052 1127858785 /nfs/dbraw/zinc/85/87/85/1127858785.db2.gz ISTIFAKXZXLMHT-UHFFFAOYSA-N 0 0 276.405 3.638 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCC1CC1 ZINC000134868433 1127964319 /nfs/dbraw/zinc/96/43/19/1127964319.db2.gz XHGYIIHIEAFWRJ-UHFFFAOYSA-N 0 0 274.191 3.979 20 10 CHCDRN Oc1cccc(Cl)c1CNc1nc2cc(F)ccc2[nH]1 ZINC000784326716 1128042863 /nfs/dbraw/zinc/04/28/63/1128042863.db2.gz UUGSDGAZXIHWSN-UHFFFAOYSA-N 0 0 291.713 3.673 20 10 CHCDRN C[C@@H](NC(=O)C1(C2CCCCC2)CC1)c1ccccc1O ZINC000913763315 1128079939 /nfs/dbraw/zinc/07/99/39/1128079939.db2.gz BFDDQVAYIYSHNC-CYBMUJFWSA-N 0 0 287.403 3.930 20 10 CHCDRN CCOc1ccc(CNc2nc3ccccc3o2)c(O)c1 ZINC000777505219 1128094653 /nfs/dbraw/zinc/09/46/53/1128094653.db2.gz MUHIRMLCCQHBKZ-UHFFFAOYSA-N 0 0 284.315 3.544 20 10 CHCDRN CCN(CC)c1ccc(CN(C)[C@@H](C)c2ncccn2)cc1 ZINC000929185769 1128263245 /nfs/dbraw/zinc/26/32/45/1128263245.db2.gz ZAXRACVUYLZIKI-HNNXBMFYSA-N 0 0 298.434 3.516 20 10 CHCDRN CCc1ccccc1NNC(=S)Nc1ccccc1F ZINC000915121713 1128283823 /nfs/dbraw/zinc/28/38/23/1128283823.db2.gz FJQAPTUZHVRIOM-UHFFFAOYSA-N 0 0 289.379 3.702 20 10 CHCDRN C[C@@H]1CCc2ccccc2[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000763223170 1128383313 /nfs/dbraw/zinc/38/33/13/1128383313.db2.gz JUHLNEIJNOPUOP-BMIGLBTASA-N 0 0 287.384 3.507 20 10 CHCDRN CCCCC1(C(=O)NCCCSc2nccs2)CC1 ZINC000932683318 1128418780 /nfs/dbraw/zinc/41/87/80/1128418780.db2.gz JVZXXCNAEATWCW-UHFFFAOYSA-N 0 0 298.477 3.712 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)CC(C)(C)C)cc1 ZINC000916503196 1128422535 /nfs/dbraw/zinc/42/25/35/1128422535.db2.gz XVUPOZMJTKFNBN-UHFFFAOYSA-N 0 0 276.424 3.585 20 10 CHCDRN COc1ccc2c(c1)CCCN2Cc1ccc2c(c1)COC2 ZINC000778214193 1128451026 /nfs/dbraw/zinc/45/10/26/1128451026.db2.gz VNXKTXHCTDMYSI-UHFFFAOYSA-N 0 0 295.382 3.678 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)c1ccccc1C(C)(C)C ZINC000154288415 1128484464 /nfs/dbraw/zinc/48/44/64/1128484464.db2.gz KKWSAUHEHIRHSP-UHFFFAOYSA-N 0 0 297.398 3.962 20 10 CHCDRN CC(C)(C)c1cnc(SCC(=O)c2ccns2)s1 ZINC000917218013 1128490621 /nfs/dbraw/zinc/49/06/21/1128490621.db2.gz PRWDERGRBKIXGI-UHFFFAOYSA-N 0 0 298.458 3.872 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C1CC2(CCC2)C1 ZINC000564214399 1128498987 /nfs/dbraw/zinc/49/89/87/1128498987.db2.gz OBRILSHMVLPMLP-UHFFFAOYSA-N 0 0 296.414 3.683 20 10 CHCDRN Cc1cc(F)c2c(c1)CCCN2C(=O)/C=C/c1cccnc1 ZINC000917692969 1128516341 /nfs/dbraw/zinc/51/63/41/1128516341.db2.gz SQEOHCGILHWUQJ-VOTSOKGWSA-N 0 0 296.345 3.522 20 10 CHCDRN CSCC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000917954690 1128525723 /nfs/dbraw/zinc/52/57/23/1128525723.db2.gz ORTRYHGKXAZZNU-UHFFFAOYSA-N 0 0 273.401 3.948 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C=C1CCCC1 ZINC000918691529 1128565127 /nfs/dbraw/zinc/56/51/27/1128565127.db2.gz FQJYXSUMLWQSJE-UHFFFAOYSA-N 0 0 286.419 3.602 20 10 CHCDRN CC[C@@H](Nc1cccc2c1CCO2)c1ccccc1O ZINC000690192215 1128617199 /nfs/dbraw/zinc/61/71/99/1128617199.db2.gz QJSALRDEWHCQMG-CQSZACIVSA-N 0 0 269.344 3.890 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SC[C@H]1CCCCO1 ZINC000048397762 1128705655 /nfs/dbraw/zinc/70/56/55/1128705655.db2.gz AQJZMPPOVDPDPC-CQSZACIVSA-N 0 0 288.416 3.748 20 10 CHCDRN C[C@H]([NH2+][C@@H](C1CC1)C1CCC1)c1ccc(F)cc1[O-] ZINC000324775592 1128708881 /nfs/dbraw/zinc/70/88/81/1128708881.db2.gz FCAQGBLUMIHYER-MGPLVRAMSA-N 0 0 263.356 3.761 20 10 CHCDRN Oc1ccc(-c2csc(C3CCCC3)n2)cc1O ZINC000048640664 1128722071 /nfs/dbraw/zinc/72/20/71/1128722071.db2.gz BGXZDZRHSBVFNG-UHFFFAOYSA-N 0 0 261.346 3.879 20 10 CHCDRN CCN(CC)c1ccc(CN(C)C(=O)OCC2CC2)cc1 ZINC000784909797 1117780306 /nfs/dbraw/zinc/78/03/06/1117780306.db2.gz HXSHAOXWRNQEIL-UHFFFAOYSA-N 0 0 290.407 3.511 20 10 CHCDRN Clc1ccc(COc2ccc(N3CCCC3)cc2)nc1 ZINC000120277777 1117857066 /nfs/dbraw/zinc/85/70/66/1117857066.db2.gz MMEKDOIBIQQQSS-UHFFFAOYSA-N 0 0 288.778 3.914 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000471228201 1118000980 /nfs/dbraw/zinc/00/09/80/1118000980.db2.gz SJPFRUPPEPSVFW-UKRRQHHQSA-N 0 0 298.430 3.929 20 10 CHCDRN COC(=O)c1cccc(CSc2ncc(Cl)s2)c1 ZINC000765002963 1118130827 /nfs/dbraw/zinc/13/08/27/1118130827.db2.gz YGIJYFUYPLLGGC-UHFFFAOYSA-N 0 0 299.804 3.875 20 10 CHCDRN Brc1cnc(CSc2nccs2)s1 ZINC000306994952 1118140000 /nfs/dbraw/zinc/14/00/00/1118140000.db2.gz OUDIKRMFMFUDKL-UHFFFAOYSA-N 0 0 293.236 3.654 20 10 CHCDRN C/C=C(/C=C\C(=O)NCCCSc1nccs1)CC ZINC000765526108 1118162465 /nfs/dbraw/zinc/16/24/65/1118162465.db2.gz NICKYXWZMVYZFK-UWONXNGWSA-N 0 0 296.461 3.654 20 10 CHCDRN C[C@H](Nc1cccc2c1CCO2)c1cc(F)ccc1O ZINC000690218057 1118197700 /nfs/dbraw/zinc/19/77/00/1118197700.db2.gz WZUZGNQEXYSTMU-JTQLQIEISA-N 0 0 273.307 3.639 20 10 CHCDRN Cc1cncc(/C=C\C(=O)N(C)c2cccc(C)c2C)c1 ZINC000255124506 1118256362 /nfs/dbraw/zinc/25/63/62/1118256362.db2.gz IWENGBPMWGKSRH-HJWRWDBZSA-N 0 0 280.371 3.683 20 10 CHCDRN Clc1cccc(-c2noc(-c3csnn3)n2)c1Cl ZINC001212362378 1118266027 /nfs/dbraw/zinc/26/60/27/1118266027.db2.gz QOGSRTDSCRFHRI-UHFFFAOYSA-N 0 0 299.142 3.562 20 10 CHCDRN Cc1c(Cl)cccc1C(=O)N[C@@H](C)c1ccccc1O ZINC001648892284 1118273023 /nfs/dbraw/zinc/27/30/23/1118273023.db2.gz UDMHPHHEMGCAFO-NSHDSACASA-N 0 0 289.762 3.845 20 10 CHCDRN CCc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000074333785 1118281247 /nfs/dbraw/zinc/28/12/47/1118281247.db2.gz HAXMPJNLRAYWBM-UHFFFAOYSA-N 0 0 296.414 3.698 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1c(C)noc1C ZINC000186186877 1118291420 /nfs/dbraw/zinc/29/14/20/1118291420.db2.gz UWBKAWCRPHGNTB-OTYXRUKQSA-N 0 0 292.354 3.938 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1c(C)noc1C ZINC000186186892 1118291862 /nfs/dbraw/zinc/29/18/62/1118291862.db2.gz UWBKAWCRPHGNTB-YMTOWFKASA-N 0 0 292.354 3.938 20 10 CHCDRN Cc1ccc2c(CC(=O)Nc3ccc(N)cc3)coc2c1C ZINC000237879536 1128768633 /nfs/dbraw/zinc/76/86/33/1128768633.db2.gz AAVHEUPEUXKTAR-UHFFFAOYSA-N 0 0 294.354 3.813 20 10 CHCDRN Cc1cc(O)c(CNc2cnn([C@@H](C)C3CC3)c2)cc1C ZINC000189253903 1128769789 /nfs/dbraw/zinc/76/97/89/1128769789.db2.gz YWNUBGQZFQEGDH-ZDUSSCGKSA-N 0 0 285.391 3.789 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000175867554 1118345940 /nfs/dbraw/zinc/34/59/40/1118345940.db2.gz UNIQZWUIAFBOAY-HUUCEWRRSA-N 0 0 289.419 3.957 20 10 CHCDRN Cc1cccc(CNc2cccc3ncccc32)c1O ZINC000083478274 1118354179 /nfs/dbraw/zinc/35/41/79/1118354179.db2.gz KKKRMDBEJDTWKA-UHFFFAOYSA-N 0 0 264.328 3.861 20 10 CHCDRN Cc1cc(C)cc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000693216991 1118421830 /nfs/dbraw/zinc/42/18/30/1118421830.db2.gz XGXZSHWRYUUSQV-CYBMUJFWSA-N 0 0 273.351 3.999 20 10 CHCDRN C[C@@H](Nc1cnn([C@@H](C)C2CC2)c1)c1cc(F)ccc1O ZINC000187616008 1118421859 /nfs/dbraw/zinc/42/18/59/1118421859.db2.gz JTTZBHPEGMQLKV-MNOVXSKESA-N 0 0 289.354 3.872 20 10 CHCDRN CCOc1cccc(C[N@H+](C)Cc2cccc(F)c2)c1O ZINC000160462794 1118428237 /nfs/dbraw/zinc/42/82/37/1118428237.db2.gz BGETWHPNGKRVAM-UHFFFAOYSA-N 0 0 289.350 3.562 20 10 CHCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)c1[O-] ZINC000088706267 1118524599 /nfs/dbraw/zinc/52/45/99/1118524599.db2.gz UMQRYLJWAMOUMB-MNOVXSKESA-N 0 0 295.810 3.869 20 10 CHCDRN Oc1cccc(Br)c1CNc1ccccc1F ZINC000706806383 1118543126 /nfs/dbraw/zinc/54/31/26/1118543126.db2.gz APOTVJFWMHYBIA-UHFFFAOYSA-N 0 0 296.139 3.906 20 10 CHCDRN CCC[C@@H](CC(C)C)C(=O)N(C)Cc1ccccc1O ZINC000308054800 1118553175 /nfs/dbraw/zinc/55/31/75/1118553175.db2.gz LMAXKHODNPPCHS-AWEZNQCLSA-N 0 0 277.408 3.813 20 10 CHCDRN Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000092326838 1118583357 /nfs/dbraw/zinc/58/33/57/1118583357.db2.gz WAYLTOBKRAOHPK-DTWKUNHWSA-N 0 0 278.327 3.548 20 10 CHCDRN COc1ccccc1N[C@H]1CCc2cccc(O)c21 ZINC000296851342 1118610335 /nfs/dbraw/zinc/61/03/35/1118610335.db2.gz NFOIDBLSWKFVTL-ZDUSSCGKSA-N 0 0 255.317 3.500 20 10 CHCDRN Cc1ccc(Sc2ncc([N+](=O)[O-])s2)cc1 ZINC000190300740 1128810710 /nfs/dbraw/zinc/81/07/10/1128810710.db2.gz YTRQWIHXJCTBGU-UHFFFAOYSA-N 0 0 252.320 3.511 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)C1CCC1)c1ccc(F)cc1[O-] ZINC000796845607 1119211519 /nfs/dbraw/zinc/21/15/19/1119211519.db2.gz BRYKVRFEHADYPX-YGRLFVJLSA-N 0 0 251.345 3.761 20 10 CHCDRN CC(C)[N@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708132517 1119224231 /nfs/dbraw/zinc/22/42/31/1119224231.db2.gz DIGXYYMARRQAIC-UHFFFAOYSA-N 0 0 292.604 3.648 20 10 CHCDRN CC(C(=O)NCc1ccc2c(c1)CCCN2C)=C1CCCC1 ZINC000176591635 1119326903 /nfs/dbraw/zinc/32/69/03/1119326903.db2.gz WAUWRGMTPOJNCT-UHFFFAOYSA-N 0 0 298.430 3.576 20 10 CHCDRN CC(C)Oc1ccc(F)c(N(C)c2ccc(N)cc2)c1 ZINC001212315608 1128840415 /nfs/dbraw/zinc/84/04/15/1128840415.db2.gz KNNBHKVABXHNSR-UHFFFAOYSA-N 0 0 274.339 3.963 20 10 CHCDRN COc1ccc(N(CCOC(C)(C)C)C(C)C)cc1F ZINC000725815870 1119427162 /nfs/dbraw/zinc/42/71/62/1119427162.db2.gz CDTZFPADHBSZCI-UHFFFAOYSA-N 0 0 283.387 3.864 20 10 CHCDRN CC(C)(C)C[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708424110 1119450550 /nfs/dbraw/zinc/45/05/50/1119450550.db2.gz WUASTDNOGNCRAC-LLVKDONJSA-N 0 0 283.362 3.929 20 10 CHCDRN C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C[C@@H]1C ZINC000708498055 1119491195 /nfs/dbraw/zinc/49/11/95/1119491195.db2.gz WUNLZKMDWOFPKD-NRUUGDAUSA-N 0 0 269.335 3.585 20 10 CHCDRN CC[C@@H]([NH2+]CC(C)(C)[C@@H](O)C(C)C)c1ccc(F)cc1[O-] ZINC000796850388 1119644437 /nfs/dbraw/zinc/64/44/37/1119644437.db2.gz ZEEDKAZGIUZYBD-ZBFHGGJFSA-N 0 0 297.414 3.615 20 10 CHCDRN COc1ccc(Nc2ccc(N)cc2)cc1Br ZINC000088317805 1128877571 /nfs/dbraw/zinc/87/75/71/1128877571.db2.gz ZEULZFKPNUMZTB-UHFFFAOYSA-N 0 0 293.164 3.784 20 10 CHCDRN Clc1ncccc1COc1ccc(N2CCCC2)cc1 ZINC000178192564 1119944018 /nfs/dbraw/zinc/94/40/18/1119944018.db2.gz UGZAQRFQWYLGTM-UHFFFAOYSA-N 0 0 288.778 3.914 20 10 CHCDRN Cc1ccc(O)c(CNc2nc3ccccc3s2)c1 ZINC000181469524 1128881491 /nfs/dbraw/zinc/88/14/91/1128881491.db2.gz BHHFCBWSANLPRN-UHFFFAOYSA-N 0 0 270.357 3.922 20 10 CHCDRN C[C@H](Nc1cnn(C(C)(C)C)c1)c1ccc(F)cc1O ZINC000186357258 1120033803 /nfs/dbraw/zinc/03/38/03/1120033803.db2.gz HEULFWYJTCOGBC-JTQLQIEISA-N 0 0 277.343 3.656 20 10 CHCDRN COC(=O)Nc1ccc(NCc2ccc(N(C)C)cc2)cc1 ZINC000122397840 1120168536 /nfs/dbraw/zinc/16/85/36/1120168536.db2.gz FAVQCWBUARPBMV-UHFFFAOYSA-N 0 0 299.374 3.543 20 10 CHCDRN Nc1ccc(NC(=O)N[C@H]2CCCCC23CCCC3)cc1 ZINC000314135544 1120172038 /nfs/dbraw/zinc/17/20/38/1120172038.db2.gz KVPWBAOBNHWJGK-HNNXBMFYSA-N 0 0 287.407 3.893 20 10 CHCDRN COc1cc(O)c(C[N@H+](C)C[C@H]2CC2(C)C)c(Cl)c1 ZINC001236802983 1128896067 /nfs/dbraw/zinc/89/60/67/1128896067.db2.gz LTFLCKRVFHPGCL-SNVBAGLBSA-N 0 0 283.799 3.532 20 10 CHCDRN COc1ncccc1-c1cccc2c1cc(C)n2C ZINC001239861412 1120183088 /nfs/dbraw/zinc/18/30/88/1120183088.db2.gz UPXDRWHQAMXORT-UHFFFAOYSA-N 0 0 252.317 3.557 20 10 CHCDRN Cc1ccc(N[C@H]2CCc3cccc(O)c32)c(F)c1 ZINC000312019978 1120253599 /nfs/dbraw/zinc/25/35/99/1120253599.db2.gz KUWZDIADRLOHJL-AWEZNQCLSA-N 0 0 257.308 3.939 20 10 CHCDRN CC(C)(C)CCCc1nc(Cc2ccc(N)cc2)no1 ZINC000843159510 1120274561 /nfs/dbraw/zinc/27/45/61/1120274561.db2.gz RPRYETKVQAYZLQ-UHFFFAOYSA-N 0 0 273.380 3.611 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1cc(F)cc(F)c1[O-] ZINC000756378930 1120282058 /nfs/dbraw/zinc/28/20/58/1120282058.db2.gz KHGHBCSXADKDFG-VHSXEESVSA-N 0 0 281.302 3.545 20 10 CHCDRN C[C@H]([NH2+]CCO[C@@H]1CCCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000756443667 1120350556 /nfs/dbraw/zinc/35/05/56/1120350556.db2.gz TZXQCIPKWJCUDK-GDZNZVCISA-N 0 0 295.398 3.777 20 10 CHCDRN Oc1c(F)cc(F)cc1Nc1c(Cl)cncc1Cl ZINC001212477941 1120353476 /nfs/dbraw/zinc/35/34/76/1120353476.db2.gz RBJUXHVEUCAFNZ-UHFFFAOYSA-N 0 0 291.084 3.538 20 10 CHCDRN Cc1cccc2c1C[N@H+](Cc1cccc(Cl)c1[O-])CC2 ZINC000763501856 1128913062 /nfs/dbraw/zinc/91/30/62/1128913062.db2.gz GCQROWGYFUZCOF-UHFFFAOYSA-N 0 0 287.790 3.912 20 10 CHCDRN Cc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])o1 ZINC000775643338 1120444068 /nfs/dbraw/zinc/44/40/68/1120444068.db2.gz VBFLTYQBLAPYDN-UHFFFAOYSA-N 0 0 283.730 3.718 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccccc1O ZINC000310933171 1120500727 /nfs/dbraw/zinc/50/07/27/1120500727.db2.gz HYLYWDQSTWIZQB-JQWIXIFHSA-N 0 0 255.308 3.621 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000781908467 1120511051 /nfs/dbraw/zinc/51/10/51/1120511051.db2.gz IYQLNNBFTQMWHQ-PHIMTYICSA-N 0 0 298.224 3.551 20 10 CHCDRN Cc1ccccc1C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191185520 1120517324 /nfs/dbraw/zinc/51/73/24/1120517324.db2.gz GOOBFMNXIPPERY-NSHDSACASA-N 0 0 277.314 3.830 20 10 CHCDRN Cc1cc(F)ccc1NCc1ccc(N(C)C)cc1 ZINC000019960931 1120553826 /nfs/dbraw/zinc/55/38/26/1120553826.db2.gz AWQLLOLSWVBWEM-UHFFFAOYSA-N 0 0 258.340 3.812 20 10 CHCDRN C[C@H](CCC1CC1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000398090078 1120566716 /nfs/dbraw/zinc/56/67/16/1120566716.db2.gz RNNUYMFNIGFUSL-GHMZBOCLSA-N 0 0 251.345 3.761 20 10 CHCDRN Oc1ccccc1CNc1ccccc1N1CCCCC1 ZINC000020123007 1120585502 /nfs/dbraw/zinc/58/55/02/1120585502.db2.gz KUCIXOQOUSMRAA-UHFFFAOYSA-N 0 0 282.387 3.995 20 10 CHCDRN C[C@H]([NH2+]Cc1ccc2ncccc2c1)c1ccc(F)cc1[O-] ZINC000195147322 1120615652 /nfs/dbraw/zinc/61/56/52/1120615652.db2.gz JHOJOBOBACFKTL-LBPRGKRZSA-N 0 0 296.345 3.930 20 10 CHCDRN CC/C=C(\C)C(=O)N(CCCC)Cc1ccccc1O ZINC000282421965 1120651266 /nfs/dbraw/zinc/65/12/66/1120651266.db2.gz GTKGRUYUPFODLJ-NTEUORMPSA-N 0 0 275.392 3.877 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H](C)C1CC1)c1ccc(F)cc1[O-] ZINC000796722052 1120674484 /nfs/dbraw/zinc/67/44/84/1120674484.db2.gz YQOVJYFESUCGMM-IINYFYTJSA-N 0 0 251.345 3.618 20 10 CHCDRN Cc1cnc(CN(C)c2ccc(OC(C)C)cc2)s1 ZINC000191589036 1128943639 /nfs/dbraw/zinc/94/36/39/1128943639.db2.gz WHWVLWXTRIAGQX-UHFFFAOYSA-N 0 0 276.405 3.875 20 10 CHCDRN CCN(C(=O)/C=C\c1ccc(C)nc1)c1ccccc1C ZINC000779471252 1128954513 /nfs/dbraw/zinc/95/45/13/1128954513.db2.gz CRYPTSYJMAXZGT-QXMHVHEDSA-N 0 0 280.371 3.765 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)c1occc1C ZINC000282489707 1121025838 /nfs/dbraw/zinc/02/58/38/1121025838.db2.gz MLCOXVRIBXZTPJ-UHFFFAOYSA-N 0 0 287.359 3.736 20 10 CHCDRN CCN(CC)c1ccc(CNc2ccc3c(c2)OCO3)cc1 ZINC000106958338 1121059201 /nfs/dbraw/zinc/05/92/01/1121059201.db2.gz UZCQNUGUCQOBEF-UHFFFAOYSA-N 0 0 298.386 3.874 20 10 CHCDRN COc1ccc(O)c(CNc2ccc3ncccc3c2)c1 ZINC000054107973 1121108829 /nfs/dbraw/zinc/10/88/29/1121108829.db2.gz VGLDEJPOPKRDTG-UHFFFAOYSA-N 0 0 280.327 3.561 20 10 CHCDRN CCC[N@H+](CCOC)Cc1c([O-])ccc(Cl)c1Cl ZINC001237077795 1128964473 /nfs/dbraw/zinc/96/44/73/1128964473.db2.gz KHXBKTYMJMLUBP-UHFFFAOYSA-N 0 0 292.206 3.557 20 10 CHCDRN COc1cccc(N[C@@H](C)c2ccc(F)cc2O)c1F ZINC000701699295 1121164649 /nfs/dbraw/zinc/16/46/49/1121164649.db2.gz SRHRWGXOCIKVAM-VIFPVBQESA-N 0 0 279.286 3.852 20 10 CHCDRN CCOc1ccc(Nc2cccc(O)c2O)c(F)c1F ZINC001175152093 1121186932 /nfs/dbraw/zinc/18/69/32/1121186932.db2.gz JWNABWKNCHXOGK-UHFFFAOYSA-N 0 0 281.258 3.518 20 10 CHCDRN CC(C)Oc1cc(F)cc(Nc2cccc(O)c2O)c1 ZINC001175142617 1121199276 /nfs/dbraw/zinc/19/92/76/1121199276.db2.gz IGGHYTYRLPYSEX-UHFFFAOYSA-N 0 0 277.295 3.768 20 10 CHCDRN CCOc1cc(C)c(Nc2cccc(O)c2O)c(C)c1 ZINC001175173012 1121216345 /nfs/dbraw/zinc/21/63/45/1121216345.db2.gz AQXOSCYXLQGCOO-UHFFFAOYSA-N 0 0 273.332 3.857 20 10 CHCDRN CCOc1ccc(N(C)c2ccc(N)cc2)c(F)c1 ZINC001175253408 1121232078 /nfs/dbraw/zinc/23/20/78/1121232078.db2.gz IOKOBGONMGPYDM-UHFFFAOYSA-N 0 0 260.312 3.575 20 10 CHCDRN Cc1cnc(CNC(=S)Nc2cccc(C)c2C)c(C)c1 ZINC000243532828 1128979651 /nfs/dbraw/zinc/97/96/51/1128979651.db2.gz OEKJGCMKHNSNDM-UHFFFAOYSA-N 0 0 299.443 3.802 20 10 CHCDRN CC(C)(C)CC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000236595194 1121358923 /nfs/dbraw/zinc/35/89/23/1121358923.db2.gz BLUNQCPMUAKQME-UHFFFAOYSA-N 0 0 280.368 3.605 20 10 CHCDRN CC(C)c1cccc(CNC(=O)NCc2ccccc2O)c1 ZINC000773509870 1121409501 /nfs/dbraw/zinc/40/95/01/1121409501.db2.gz AMZDTJRTWQRTCU-UHFFFAOYSA-N 0 0 298.386 3.515 20 10 CHCDRN CCC1([NH2+]Cc2c(O)cccc2Br)CCC1 ZINC000706858500 1121442394 /nfs/dbraw/zinc/44/23/94/1121442394.db2.gz ZQEHNCRIUSZMBN-UHFFFAOYSA-N 0 0 284.197 3.577 20 10 CHCDRN COc1cc(N(C)c2ccc(N)cc2)ccc1Cl ZINC001175778061 1121462802 /nfs/dbraw/zinc/46/28/02/1121462802.db2.gz UMSWXFZYTLUGHP-UHFFFAOYSA-N 0 0 262.740 3.699 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000708408979 1121464140 /nfs/dbraw/zinc/46/41/40/1121464140.db2.gz KDHQXAWNMQDEBY-CYBMUJFWSA-N 0 0 295.354 3.899 20 10 CHCDRN CCOc1cccc(CNc2cncc(Cl)c2C)c1O ZINC000709827714 1121472012 /nfs/dbraw/zinc/47/20/12/1121472012.db2.gz BGQVMBHRBQTSGZ-UHFFFAOYSA-N 0 0 292.766 3.760 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)CC(C)C ZINC000282536246 1121528703 /nfs/dbraw/zinc/52/87/03/1121528703.db2.gz QYSUKGKKJIWOPO-UHFFFAOYSA-N 0 0 263.381 3.567 20 10 CHCDRN Nc1ccc(NCc2cc(Br)cs2)cc1 ZINC000070652595 1128992149 /nfs/dbraw/zinc/99/21/49/1128992149.db2.gz FKVDOYJZFSZLAX-UHFFFAOYSA-N 0 0 283.194 3.705 20 10 CHCDRN Cc1ncc(Nc2ccccc2Cc2ccc(N)cc2)cn1 ZINC001176397207 1121624572 /nfs/dbraw/zinc/62/45/72/1121624572.db2.gz DMSGIIWSUDHXGV-UHFFFAOYSA-N 0 0 290.370 3.702 20 10 CHCDRN CC[N@H+](CCC(F)(F)F)Cc1cccc(Cl)c1[O-] ZINC000688498699 1129003841 /nfs/dbraw/zinc/00/38/41/1129003841.db2.gz DWQBEKVVSDXSTD-UHFFFAOYSA-N 0 0 281.705 3.820 20 10 CHCDRN CC[C@H](C)CN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773610399 1121708950 /nfs/dbraw/zinc/70/89/50/1121708950.db2.gz IMDJQYMLKCWWNW-KBPBESRZSA-N 0 0 291.439 3.501 20 10 CHCDRN CC(C)CC(CC(C)C)NC(=O)NCc1ccccc1O ZINC000729051043 1121737560 /nfs/dbraw/zinc/73/75/60/1121737560.db2.gz ZCAQFZWUFNWBCM-UHFFFAOYSA-N 0 0 292.423 3.652 20 10 CHCDRN C[C@@H]1CC[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC001178624226 1121799795 /nfs/dbraw/zinc/79/97/95/1121799795.db2.gz KFDSAQFZNAHIBH-ZJUUUORDSA-N 0 0 271.763 3.711 20 10 CHCDRN C[C@]1([NH2+]Cc2c([O-])ccc(Cl)c2F)CC=CCC1 ZINC001178930495 1121826959 /nfs/dbraw/zinc/82/69/59/1121826959.db2.gz DBDHVOLZNLRMSU-AWEZNQCLSA-N 0 0 269.747 3.773 20 10 CHCDRN CC1(C)CCC[C@H]1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001179215299 1121859863 /nfs/dbraw/zinc/85/98/63/1121859863.db2.gz AGJIUFBPLDGIPA-ZDUSSCGKSA-N 0 0 292.379 3.606 20 10 CHCDRN CCCOC1CN(Cc2ccc(N(C)C)c3ccccc23)C1 ZINC001204241332 1121868358 /nfs/dbraw/zinc/86/83/58/1121868358.db2.gz FIRJSHWPRDGOCU-UHFFFAOYSA-N 0 0 298.430 3.517 20 10 CHCDRN CC(C)(C)c1noc(-c2ccc(-n3cccc3)c(F)c2)n1 ZINC000731793713 1121883952 /nfs/dbraw/zinc/88/39/52/1121883952.db2.gz UHKFQPLBWDTHGN-UHFFFAOYSA-N 0 0 285.322 3.964 20 10 CHCDRN CCCCCC[C@@H](C)NC(=O)C1=CC(=O)CS1 ZINC000731867623 1121889862 /nfs/dbraw/zinc/88/98/62/1121889862.db2.gz OGKDXHUSVUXRHT-SNVBAGLBSA-N 0 0 255.383 3.542 20 10 CHCDRN CCCCCC[C@H](C)NC(=O)C1=CC(=O)CS1 ZINC000731867622 1121890271 /nfs/dbraw/zinc/89/02/71/1121890271.db2.gz OGKDXHUSVUXRHT-JTQLQIEISA-N 0 0 255.383 3.542 20 10 CHCDRN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C1=CC(=O)CS1 ZINC000731867541 1121891347 /nfs/dbraw/zinc/89/13/47/1121891347.db2.gz MBJNOJITMAJXII-QMMMGPOBSA-N 0 0 297.326 3.565 20 10 CHCDRN Cc1ccc2c(c1)N(C(=O)/C=C\c1cncc(F)c1)CCC2 ZINC000732008414 1121902035 /nfs/dbraw/zinc/90/20/35/1121902035.db2.gz MULAYTSDRGCWTE-ALCCZGGFSA-N 0 0 296.345 3.522 20 10 CHCDRN CC(C)OCc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000732277344 1121914168 /nfs/dbraw/zinc/91/41/68/1121914168.db2.gz GSTBIBSPBCFCFK-UHFFFAOYSA-N 0 0 291.372 3.631 20 10 CHCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(C)cc1 ZINC000732257276 1121914817 /nfs/dbraw/zinc/91/48/17/1121914817.db2.gz ISPFYFGTYAXBJN-ZDUSSCGKSA-N 0 0 275.373 3.643 20 10 CHCDRN CC[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(C)cc1 ZINC000732257275 1121914831 /nfs/dbraw/zinc/91/48/31/1121914831.db2.gz ISPFYFGTYAXBJN-CYBMUJFWSA-N 0 0 275.373 3.643 20 10 CHCDRN CCCC[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000732285045 1121915519 /nfs/dbraw/zinc/91/55/19/1121915519.db2.gz OQGOEIRIRATYLN-ZYHUDNBSSA-N 0 0 267.394 3.542 20 10 CHCDRN CC[C@H](C)C[C@H](C)NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180129696 1121950498 /nfs/dbraw/zinc/95/04/98/1121950498.db2.gz COBZGOHGKSPHJU-IKYJFFNYSA-N 0 0 288.435 3.707 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)C(C)C)cc1F ZINC000733153274 1121964457 /nfs/dbraw/zinc/96/44/57/1121964457.db2.gz PEGQFKXPMTYTCF-ZDUSSCGKSA-N 0 0 294.414 3.580 20 10 CHCDRN CC(C)CN(Cc1cc(F)c(F)cc1O)CC(F)(F)F ZINC001180249721 1121970236 /nfs/dbraw/zinc/97/02/36/1121970236.db2.gz YCIBYSJYAYPKHN-UHFFFAOYSA-N 0 0 297.267 3.691 20 10 CHCDRN CSc1ccc(NCc2ccc(N(C)C)c(F)c2)nc1 ZINC000150893035 1121977614 /nfs/dbraw/zinc/97/76/14/1121977614.db2.gz LBULOSFKNSOGPD-UHFFFAOYSA-N 0 0 291.395 3.621 20 10 CHCDRN CCC[C@](C)(CC)C(=O)NCc1cccc(Cl)c1O ZINC001180409907 1121987685 /nfs/dbraw/zinc/98/76/85/1121987685.db2.gz IHCOJMOIJBWKAL-HNNXBMFYSA-N 0 0 283.799 3.878 20 10 CHCDRN CC[C@@H](CC(C)C)C(=O)NCc1cccc(Cl)c1O ZINC001180410941 1121988040 /nfs/dbraw/zinc/98/80/40/1121988040.db2.gz VSAXOPWBNVFJIZ-NSHDSACASA-N 0 0 283.799 3.734 20 10 CHCDRN [O-]c1c(F)c(F)ccc1C[N@H+](Cc1cccs1)C1CC1 ZINC001180557835 1121999568 /nfs/dbraw/zinc/99/95/68/1121999568.db2.gz HJIMBUJJVXZQDT-UHFFFAOYSA-N 0 0 295.354 3.897 20 10 CHCDRN COc1ccc2c(c1)CCCN2Cc1cccc2c1OCC2 ZINC001180715626 1122007824 /nfs/dbraw/zinc/00/78/24/1122007824.db2.gz CPMWDZMRCICRHE-UHFFFAOYSA-N 0 0 295.382 3.583 20 10 CHCDRN COc1ccc2c(c1)CCCN2Cc1ccc(C)cc1O ZINC001180715983 1122008285 /nfs/dbraw/zinc/00/82/85/1122008285.db2.gz KKPDMJIVTUDFAG-UHFFFAOYSA-N 0 0 283.371 3.662 20 10 CHCDRN Cc1ccc(CN(C)c2cccc(C)c2C)c(O)c1 ZINC001180886398 1122020107 /nfs/dbraw/zinc/02/01/07/1122020107.db2.gz ZQEIUQSJTSRLLY-UHFFFAOYSA-N 0 0 255.361 3.954 20 10 CHCDRN C[C@@H]1CCC[C@H](C[NH2+]Cc2cc(F)c(F)cc2[O-])[C@H]1C ZINC001181233354 1122045115 /nfs/dbraw/zinc/04/51/15/1122045115.db2.gz AMZCUEKTLDGMSZ-GRYCIOLGSA-N 0 0 283.362 3.832 20 10 CHCDRN CCc1cccc(CN(CCOC)c2ccccc2)c1O ZINC001181785254 1122077664 /nfs/dbraw/zinc/07/76/64/1122077664.db2.gz AUFWRKGKKNCQLJ-UHFFFAOYSA-N 0 0 285.387 3.608 20 10 CHCDRN CCC[C@H](CN1CCCCc2cc(OC)ccc21)OC ZINC001182160311 1122116200 /nfs/dbraw/zinc/11/62/00/1122116200.db2.gz HFEQXXVDRUIWOF-MRXNPFEDSA-N 0 0 277.408 3.653 20 10 CHCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC001182356874 1122147428 /nfs/dbraw/zinc/14/74/28/1122147428.db2.gz PTPACVKVJOFRSB-NSHDSACASA-N 0 0 283.774 3.807 20 10 CHCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC001182450935 1122160613 /nfs/dbraw/zinc/16/06/13/1122160613.db2.gz BSKJSIPXWFRSTQ-WCQYABFASA-N 0 0 281.346 3.729 20 10 CHCDRN COc1cccc(CNc2nccc3ccc(F)cc32)c1O ZINC000774524372 1122180522 /nfs/dbraw/zinc/18/05/22/1122180522.db2.gz PKBQGWCGUWEJNV-UHFFFAOYSA-N 0 0 298.317 3.700 20 10 CHCDRN CCN(Cc1cc(Cl)cc(F)c1O)c1cccc(O)c1 ZINC001182883254 1122193824 /nfs/dbraw/zinc/19/38/24/1122193824.db2.gz YCOAGILPTJNJNE-UHFFFAOYSA-N 0 0 295.741 3.917 20 10 CHCDRN C/C=C\C[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001183168708 1122211149 /nfs/dbraw/zinc/21/11/49/1122211149.db2.gz AHFYLVADGLGLBD-XQJDBVBESA-N 0 0 263.356 3.710 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccc(F)cc1[O-] ZINC000273462321 1122233652 /nfs/dbraw/zinc/23/36/52/1122233652.db2.gz CZPWHMVYGDVTQG-BONVTDFDSA-N 0 0 287.334 3.575 20 10 CHCDRN Cc1ccc([C@@H](C)Nc2ccc(CCO)cc2)c(O)c1C ZINC000273475550 1122235158 /nfs/dbraw/zinc/23/51/58/1122235158.db2.gz KUSJSLXRUULXGZ-CQSZACIVSA-N 0 0 285.387 3.717 20 10 CHCDRN Cc1cccc(Cl)c1NC(=O)Nc1cccc(O)c1O ZINC001184534785 1122280736 /nfs/dbraw/zinc/28/07/36/1122280736.db2.gz YURMSWKOGQOSAW-UHFFFAOYSA-N 0 0 292.722 3.704 20 10 CHCDRN CCN(Cc1ccccc1O)C(=O)NCC1CCCCC1 ZINC001186872497 1122410579 /nfs/dbraw/zinc/41/05/79/1122410579.db2.gz KPUDTUBQYHTUDV-UHFFFAOYSA-N 0 0 290.407 3.504 20 10 CHCDRN O=C(Nc1cccc(O)c1O)Nc1cccc(Cl)c1F ZINC001188409965 1122464441 /nfs/dbraw/zinc/46/44/41/1122464441.db2.gz UOFLWDDEDXJOQA-UHFFFAOYSA-N 0 0 296.685 3.534 20 10 CHCDRN CCC[C@@]1(COC)CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000775205159 1122481282 /nfs/dbraw/zinc/48/12/82/1122481282.db2.gz QBZYFNWCLFPWTK-INIZCTEOSA-N 0 0 297.826 3.827 20 10 CHCDRN Cc1ccc(O)c(CNc2ccccc2OC(F)F)c1 ZINC000071406334 1129060248 /nfs/dbraw/zinc/06/02/48/1129060248.db2.gz ONLPXSFTUPIWHH-UHFFFAOYSA-N 0 0 279.286 3.914 20 10 CHCDRN CC/C(C)=C(/C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775409335 1122553703 /nfs/dbraw/zinc/55/37/03/1122553703.db2.gz FOAKILMBAPGWNO-DINCDJDBSA-N 0 0 274.408 3.676 20 10 CHCDRN CN(C)c1ccc(N=Nc2cccc(C(=O)NC=N)c2)cc1 ZINC001190973968 1122563238 /nfs/dbraw/zinc/56/32/38/1122563238.db2.gz ASNKJJZBXZDUBV-UHFFFAOYSA-N 0 0 295.346 3.505 20 10 CHCDRN COc1cc(N(C)CCCC2CCC2)cc(OC)c1OC ZINC001191013657 1122565698 /nfs/dbraw/zinc/56/56/98/1122565698.db2.gz NEQKETYUEVRJPB-UHFFFAOYSA-N 0 0 293.407 3.729 20 10 CHCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1ccns1 ZINC001191654681 1122609749 /nfs/dbraw/zinc/60/97/49/1122609749.db2.gz IDDDAEQRKKTESR-UHFFFAOYSA-N 0 0 296.342 3.697 20 10 CHCDRN COc1ccc(N(C)C[C@H](OC)C2CCCCC2)cc1F ZINC001191892075 1122620556 /nfs/dbraw/zinc/62/05/56/1122620556.db2.gz SADXMGRBBDWBBK-KRWDZBQOSA-N 0 0 295.398 3.866 20 10 CHCDRN CCOc1ccc(N(CC)C[C@@H]2C[C@H]3CCC[C@H]3O2)cc1 ZINC001192013374 1122626651 /nfs/dbraw/zinc/62/66/51/1122626651.db2.gz MUAQPJNYVNCPBS-FHLIZLRMSA-N 0 0 289.419 3.869 20 10 CHCDRN CCOc1ccc(N(CC)C[C@@H]2C[C@@H]3CCC[C@H]3O2)cc1 ZINC001192013376 1122626818 /nfs/dbraw/zinc/62/68/18/1122626818.db2.gz MUAQPJNYVNCPBS-JCGIZDLHSA-N 0 0 289.419 3.869 20 10 CHCDRN CC[C@@H](Nc1cnn(C)c1C1CC1)c1ccccc1O ZINC000775554793 1122660769 /nfs/dbraw/zinc/66/07/69/1122660769.db2.gz NYAZMJCCOLYTOJ-CYBMUJFWSA-N 0 0 271.364 3.566 20 10 CHCDRN COC1(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CCCCC1 ZINC000775562685 1122675779 /nfs/dbraw/zinc/67/57/79/1122675779.db2.gz NPPUZZZZSQELEF-LLVKDONJSA-N 0 0 299.361 3.670 20 10 CHCDRN Cc1ccc(OC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC001194452789 1122775376 /nfs/dbraw/zinc/77/53/76/1122775376.db2.gz YMOHSHXMDDHKPD-UHFFFAOYSA-N 0 0 298.386 3.692 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)OCC(C)(C)C ZINC001194378985 1122775742 /nfs/dbraw/zinc/77/57/42/1122775742.db2.gz VRLRVVPNNKZVAR-UHFFFAOYSA-N 0 0 292.423 3.757 20 10 CHCDRN C[C@@H](Nc1cnn(C(C)(C)C)c1)c1ccccc1O ZINC000183668203 1129078501 /nfs/dbraw/zinc/07/85/01/1129078501.db2.gz BYXFEFAWJMRNDO-LLVKDONJSA-N 0 0 259.353 3.517 20 10 CHCDRN CC(C)CCn1ccc(N[C@H](C)c2ccccc2O)n1 ZINC000183665723 1129080487 /nfs/dbraw/zinc/08/04/87/1129080487.db2.gz GXTLONTVLMPFHG-CYBMUJFWSA-N 0 0 273.380 3.808 20 10 CHCDRN CCN(Cc1ccc(C)nc1C)c1ccc(OC)cc1 ZINC000775622976 1122828121 /nfs/dbraw/zinc/82/81/21/1122828121.db2.gz BTVLTJIYRVTTDY-UHFFFAOYSA-N 0 0 270.376 3.734 20 10 CHCDRN O=C(c1ccccc1NN=C1C=CC(=O)C=C1)N1CC=CC1 ZINC001195254343 1122857746 /nfs/dbraw/zinc/85/77/46/1122857746.db2.gz JKFVKQTZJSVOQU-VHEBQXMUSA-N 0 0 293.326 3.820 20 10 CHCDRN CCC[C@H](C)[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775651307 1122864461 /nfs/dbraw/zinc/86/44/61/1122864461.db2.gz MHDLNLQRMCZEKS-VIFPVBQESA-N 0 0 259.752 3.805 20 10 CHCDRN CC[C@H](C)C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775654967 1122866608 /nfs/dbraw/zinc/86/66/08/1122866608.db2.gz SFMDOKTWFIZWHM-VIFPVBQESA-N 0 0 259.752 3.663 20 10 CHCDRN CCCC[N@H+](Cc1cccc(Cl)c1[O-])C1CC1 ZINC000775652674 1122869017 /nfs/dbraw/zinc/86/90/17/1122869017.db2.gz PGTGUFWUDQVBJG-UHFFFAOYSA-N 0 0 253.773 3.810 20 10 CHCDRN C[N@H+](Cc1ccccc1O)Cc1cc(Cl)cc(F)c1[O-] ZINC000775655860 1122869327 /nfs/dbraw/zinc/86/93/27/1122869327.db2.gz LTAOUWLMEYOWBV-UHFFFAOYSA-N 0 0 295.741 3.522 20 10 CHCDRN C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775700985 1122912246 /nfs/dbraw/zinc/91/22/46/1122912246.db2.gz ABOJDZYLGHFVLE-BDAKNGLRSA-N 0 0 289.803 3.511 20 10 CHCDRN CC[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCS1 ZINC000775701577 1122915695 /nfs/dbraw/zinc/91/56/95/1122915695.db2.gz HBFWCQPIWJUGTJ-NSHDSACASA-N 0 0 289.803 3.512 20 10 CHCDRN CSCC[C@H](C)[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775713335 1122919430 /nfs/dbraw/zinc/91/94/30/1122919430.db2.gz IJADRLBIHITOGM-VIFPVBQESA-N 0 0 291.819 3.758 20 10 CHCDRN CSCC[C@H](C)[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000775714793 1122921676 /nfs/dbraw/zinc/92/16/76/1122921676.db2.gz UBZFGUNUEZZASX-NSHDSACASA-N 0 0 287.856 3.927 20 10 CHCDRN CCOc1ccc(N(CC)Cc2ccncc2C)cc1 ZINC001167984815 1122938914 /nfs/dbraw/zinc/93/89/14/1122938914.db2.gz WTKPIVBUJDGBIM-UHFFFAOYSA-N 0 0 270.376 3.815 20 10 CHCDRN CC(C)c1cnc(CN[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000775833761 1122986801 /nfs/dbraw/zinc/98/68/01/1122986801.db2.gz LLCYYRRIWYSQNN-CYBMUJFWSA-N 0 0 287.407 3.715 20 10 CHCDRN C[C@H](NC(=O)CC1CC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000794431431 1122993621 /nfs/dbraw/zinc/99/36/21/1122993621.db2.gz BAAWOSRLWXPKQY-ZDUSSCGKSA-N 0 0 288.435 3.756 20 10 CHCDRN Cc1ccccc1NC(=S)NCc1cccc(Cl)n1 ZINC001198443202 1122993649 /nfs/dbraw/zinc/99/36/49/1122993649.db2.gz WZZLGACEEVMYRA-UHFFFAOYSA-N 0 0 291.807 3.530 20 10 CHCDRN COc1ccc(C[NH2+]C[C@@H](C)C2CCCCC2)c(O)c1 ZINC000776077344 1123053454 /nfs/dbraw/zinc/05/34/54/1123053454.db2.gz NTDBVWSWQGFADW-CYBMUJFWSA-N 0 0 277.408 3.707 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000776175035 1123102620 /nfs/dbraw/zinc/10/26/20/1123102620.db2.gz TVURTSJVBODSHC-LSDHHAIUSA-N 0 0 287.790 3.939 20 10 CHCDRN COc1ccc(N)cc1Nc1ccc(NC(C)C)cc1 ZINC001201497850 1123111198 /nfs/dbraw/zinc/11/11/98/1123111198.db2.gz NTUXBVRPXQYMOD-UHFFFAOYSA-N 0 0 271.364 3.841 20 10 CHCDRN CC(C)Nc1ccc(Nc2cccc(O)c2O)cc1 ZINC001201497853 1123111275 /nfs/dbraw/zinc/11/12/75/1123111275.db2.gz NXQNDPMRMYPGQQ-UHFFFAOYSA-N 0 0 258.321 3.662 20 10 CHCDRN Cc1ccc(C(N)=O)cc1Nc1ccc(NC(C)C)cc1 ZINC001201498078 1123111697 /nfs/dbraw/zinc/11/16/97/1123111697.db2.gz RECBHZILMKOVLT-UHFFFAOYSA-N 0 0 283.375 3.658 20 10 CHCDRN CC(C)Nc1ccc(Nc2cccc3c2CNC(=O)N3)cc1 ZINC001201506478 1123113117 /nfs/dbraw/zinc/11/31/17/1123113117.db2.gz ZIGZJZMGFMIUMZ-UHFFFAOYSA-N 0 0 296.374 3.886 20 10 CHCDRN Cc1ncccc1NCc1cc(Cl)cc(F)c1O ZINC001201566228 1123125046 /nfs/dbraw/zinc/12/50/46/1123125046.db2.gz CZNJCUKMTFSSPF-UHFFFAOYSA-N 0 0 266.703 3.500 20 10 CHCDRN C[C@H](NC(=O)Nc1c(F)cccc1F)c1ccccc1O ZINC001202045240 1123169419 /nfs/dbraw/zinc/16/94/19/1123169419.db2.gz UAAHEJCOOQZTGM-VIFPVBQESA-N 0 0 292.285 3.553 20 10 CHCDRN CC(C)C(C)(C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776237354 1123173552 /nfs/dbraw/zinc/17/35/52/1123173552.db2.gz GJELDXWYSVNAER-CYBMUJFWSA-N 0 0 291.439 3.547 20 10 CHCDRN CC(C)C(C)(C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776237356 1123173976 /nfs/dbraw/zinc/17/39/76/1123173976.db2.gz GJELDXWYSVNAER-ZDUSSCGKSA-N 0 0 291.439 3.547 20 10 CHCDRN Cc1cccc(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001202320179 1123198866 /nfs/dbraw/zinc/19/88/66/1123198866.db2.gz YNEZEPFBPPYTRG-GFCCVEGCSA-N 0 0 270.332 3.583 20 10 CHCDRN CC[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001202454181 1123209153 /nfs/dbraw/zinc/20/91/53/1123209153.db2.gz AQAWJWILFUKQBF-MNOVXSKESA-N 0 0 269.335 3.586 20 10 CHCDRN CCC[C@H](C)NC(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000849999635 1123236190 /nfs/dbraw/zinc/23/61/90/1123236190.db2.gz VPAAQDHXIXGAAW-JGVFFNPUSA-N 0 0 292.857 3.582 20 10 CHCDRN Cc1ncsc1CSc1ncc(Cl)s1 ZINC000850000270 1123237157 /nfs/dbraw/zinc/23/71/57/1123237157.db2.gz OPBPVTOWHGIWRB-UHFFFAOYSA-N 0 0 262.812 3.854 20 10 CHCDRN CC[C@@H](C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108294360 1123230562 /nfs/dbraw/zinc/23/05/62/1123230562.db2.gz LEZQKXJDLSGERL-OAHLLOKOSA-N 0 0 288.435 3.585 20 10 CHCDRN O=C1CCC(CSc2ncc(Cl)s2)CC1 ZINC000849999891 1123236090 /nfs/dbraw/zinc/23/60/90/1123236090.db2.gz BKNPILCCRTVEPD-UHFFFAOYSA-N 0 0 261.799 3.648 20 10 CHCDRN COC1(CCSc2ncc(Cl)s2)CCC1 ZINC000850001293 1123237161 /nfs/dbraw/zinc/23/71/61/1123237161.db2.gz FKZWYTHOXMBEMX-UHFFFAOYSA-N 0 0 263.815 3.848 20 10 CHCDRN CCCCOc1ccccc1NCc1nc(C)c(C)[nH]1 ZINC000850204619 1123246478 /nfs/dbraw/zinc/24/64/78/1123246478.db2.gz VZLBPUYUDGEHCW-UHFFFAOYSA-N 0 0 273.380 3.818 20 10 CHCDRN Oc1ccccc1CNc1ccc2c(c1)[C@H](O)CCCC2 ZINC000850362738 1123257348 /nfs/dbraw/zinc/25/73/48/1123257348.db2.gz NEDOWLDGRAETMA-GOSISDBHSA-N 0 0 283.371 3.764 20 10 CHCDRN COCc1csc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000850532489 1123285833 /nfs/dbraw/zinc/28/58/33/1123285833.db2.gz MKBUCCYRYVRVRQ-SNVBAGLBSA-N 0 0 295.379 3.590 20 10 CHCDRN C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccc(F)cc1[O-] ZINC000850536219 1123286937 /nfs/dbraw/zinc/28/69/37/1123286937.db2.gz IMVHCEXTBZLGIM-ZANVPECISA-N 0 0 273.298 3.617 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(F)cc1[O-] ZINC000850537594 1123288132 /nfs/dbraw/zinc/28/81/32/1123288132.db2.gz WEGUNKDZUSUGLR-DGCLKSJQSA-N 0 0 273.298 3.617 20 10 CHCDRN CC(C)[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000850555104 1123290769 /nfs/dbraw/zinc/29/07/69/1123290769.db2.gz GYYPRSQPFMYDEI-YMTOWFKASA-N 0 0 269.335 3.756 20 10 CHCDRN CC(C)CC1([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000850565379 1123293566 /nfs/dbraw/zinc/29/35/66/1123293566.db2.gz AKHNWJJRFOFHDI-NSHDSACASA-N 0 0 278.352 3.530 20 10 CHCDRN Nc1ccc(NC(=O)N2CCCC3(CCCC3)CC2)cc1 ZINC000850751672 1123299815 /nfs/dbraw/zinc/29/98/15/1123299815.db2.gz FPKXQOCYRSZPNC-UHFFFAOYSA-N 0 0 287.407 3.847 20 10 CHCDRN Nc1ccc(NC(=O)N2CCCC[C@H]2CC2CCC2)cc1 ZINC000850749154 1123299856 /nfs/dbraw/zinc/29/98/56/1123299856.db2.gz BOAZLSIGQWQIGR-INIZCTEOSA-N 0 0 287.407 3.845 20 10 CHCDRN Cc1nc(CN(Cc2ccc(N(C)C)cc2)C2CC2)c(C)o1 ZINC000851732486 1123375600 /nfs/dbraw/zinc/37/56/00/1123375600.db2.gz RTHPEJMHECIXFL-UHFFFAOYSA-N 0 0 299.418 3.522 20 10 CHCDRN COc1ccc(N(Cc2coc(C)n2)C(C)C)cc1F ZINC000851836719 1123384762 /nfs/dbraw/zinc/38/47/62/1123384762.db2.gz XLOPLRFBTRDNPL-UHFFFAOYSA-N 0 0 278.327 3.546 20 10 CHCDRN CC(C)c1cccc(/C=C2/SC(=S)N(C)C2=O)c1 ZINC000853000095 1123417711 /nfs/dbraw/zinc/41/77/11/1123417711.db2.gz COZNEVFITKHPKX-XYOKQWHBSA-N 0 0 277.414 3.641 20 10 CHCDRN CN(Cc1coc(-c2ccccc2)n1)Cc1ccccc1O ZINC000111235303 1123432192 /nfs/dbraw/zinc/43/21/92/1123432192.db2.gz WGGIZODJTGUDTK-UHFFFAOYSA-N 0 0 294.354 3.679 20 10 CHCDRN Cc1cc(C(F)(F)F)cc(N(C)Cc2ccccc2O)n1 ZINC000853461836 1123441714 /nfs/dbraw/zinc/44/17/14/1123441714.db2.gz AAHWDKHLSMPCGM-UHFFFAOYSA-N 0 0 296.292 3.751 20 10 CHCDRN CCN(C(=O)/C=C/c1cnc(C)s1)c1ccccc1 ZINC000112230143 1123485204 /nfs/dbraw/zinc/48/52/04/1123485204.db2.gz JHAWPYCQBNTREK-MDZDMXLPSA-N 0 0 272.373 3.518 20 10 CHCDRN Cc1ncsc1/C=C/C(=O)N1CCCCc2ccccc21 ZINC000776774678 1123503868 /nfs/dbraw/zinc/50/38/68/1123503868.db2.gz FFDNZEGJSVOXIY-MDZDMXLPSA-N 0 0 298.411 3.834 20 10 CHCDRN CCc1cccc(CNc2cccc(OC)c2OC)c1O ZINC000895775727 1123513343 /nfs/dbraw/zinc/51/33/43/1123513343.db2.gz VNUCEOBHTIXNBB-UHFFFAOYSA-N 0 0 287.359 3.584 20 10 CHCDRN Cc1ncsc1/C=C/C(=O)N1C[C@H](C)Cc2ccccc21 ZINC000776828925 1123533251 /nfs/dbraw/zinc/53/32/51/1123533251.db2.gz NJVGWGIRPHOYMT-ABZNLYFFSA-N 0 0 298.411 3.690 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SCCc1cccnc1 ZINC000114097037 1123557012 /nfs/dbraw/zinc/55/70/12/1123557012.db2.gz IJAHTFACEGRMMX-UHFFFAOYSA-N 0 0 295.411 3.817 20 10 CHCDRN CC[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(F)cc1[O-] ZINC000857080436 1123585299 /nfs/dbraw/zinc/58/52/99/1123585299.db2.gz GLVCHKFYXDEPJE-JOYOIKCWSA-N 0 0 273.298 3.617 20 10 CHCDRN CC[C@@H](Nc1cccc(C(=O)N(C)C)c1)c1ccccc1O ZINC000274784412 1129133128 /nfs/dbraw/zinc/13/31/28/1129133128.db2.gz PWJSNRLCLQLDNP-MRXNPFEDSA-N 0 0 298.386 3.657 20 10 CHCDRN CC(C)(O)/C=C/N(Cc1ccccc1)c1ccc(N)cc1 ZINC001203219390 1123614386 /nfs/dbraw/zinc/61/43/86/1123614386.db2.gz ACAKUDLAJWMMHC-OUKQBFOZSA-N 0 0 282.387 3.560 20 10 CHCDRN Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000896802638 1123628774 /nfs/dbraw/zinc/62/87/74/1123628774.db2.gz DNVOEBYITXKPOF-JTQLQIEISA-N 0 0 295.304 3.969 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)c1cc(F)cc(F)c1[O-] ZINC000858444325 1123654376 /nfs/dbraw/zinc/65/43/76/1123654376.db2.gz VIVYSCNHLBLEIF-QCNOEVLYSA-N 0 0 281.346 3.757 20 10 CHCDRN CCC[C@H](C[NH2+][C@@H](CC)c1ccc(F)cc1[O-])OCC ZINC000858451090 1123655343 /nfs/dbraw/zinc/65/53/43/1123655343.db2.gz NBXJVCRWLMTJOY-HIFRSBDPSA-N 0 0 283.387 3.777 20 10 CHCDRN CCCC[C@@H](CC)CC(=O)NCc1cccc(OC)c1O ZINC000117413536 1123730916 /nfs/dbraw/zinc/73/09/16/1123730916.db2.gz XZNRUCDLSNZPME-CYBMUJFWSA-N 0 0 293.407 3.624 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ncccc1C ZINC000195119097 1129142542 /nfs/dbraw/zinc/14/25/42/1129142542.db2.gz LKPBOOLWBPNRCO-UHFFFAOYSA-N 0 0 299.374 3.540 20 10 CHCDRN C[C@@H](NC(=O)[C@H]1CCCC12CC2)c1ccc(N(C)C)cc1 ZINC000860950885 1123760125 /nfs/dbraw/zinc/76/01/25/1123760125.db2.gz TYTDWPVUMLHJAN-CZUORRHYSA-N 0 0 286.419 3.510 20 10 CHCDRN c1csc(SCCOC2CCCCCC2)n1 ZINC000118612514 1123787387 /nfs/dbraw/zinc/78/73/87/1123787387.db2.gz CJLIYYHSBLVCNZ-UHFFFAOYSA-N 0 0 257.424 3.975 20 10 CHCDRN O=C(C1=CC(=O)CS1)N1CCC(c2ccsc2)CC1 ZINC000777225058 1123787821 /nfs/dbraw/zinc/78/78/21/1123787821.db2.gz SREBBZAREHILOF-UHFFFAOYSA-N 0 0 293.413 3.535 20 10 CHCDRN COc1ccc2c(c1)CCCN2Cc1cnc(C2CC2)o1 ZINC000862304542 1123798685 /nfs/dbraw/zinc/79/86/85/1123798685.db2.gz PWBQMNIKYPFSKA-UHFFFAOYSA-N 0 0 284.359 3.513 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)c1ccn(C)n1)c1cccc(Cl)c1[O-] ZINC000840814615 1123821373 /nfs/dbraw/zinc/82/13/73/1123821373.db2.gz CKBACHGBBWZJEB-ZWNOBZJWSA-N 0 0 293.798 3.581 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)CC2CCCCCC2)c1 ZINC000862758182 1123827373 /nfs/dbraw/zinc/82/73/73/1123827373.db2.gz RRJTZZAFXGELBN-UHFFFAOYSA-N 0 0 275.392 3.677 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)C(C)(C)c2ccccc2C)c1 ZINC000862758788 1123827535 /nfs/dbraw/zinc/82/75/35/1123827535.db2.gz LGNUANWVYKEQJH-UHFFFAOYSA-N 0 0 297.398 3.603 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)C(C)(C)Cc2ccccc2)c1 ZINC000862760056 1123827812 /nfs/dbraw/zinc/82/78/12/1123827812.db2.gz KJPUVZMXLCXZLC-UHFFFAOYSA-N 0 0 297.398 3.586 20 10 CHCDRN CC(=O)Nc1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000192907345 1123866487 /nfs/dbraw/zinc/86/64/87/1123866487.db2.gz HITMFIUCNPRNPR-ZDUSSCGKSA-N 0 0 297.402 3.884 20 10 CHCDRN C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])CC(F)(F)F ZINC000840873044 1123867927 /nfs/dbraw/zinc/86/79/27/1123867927.db2.gz PMLORSZJMOLRKD-YUMQZZPRSA-N 0 0 297.267 3.910 20 10 CHCDRN COc1ccc(O)c([C@H](C)Nc2ncnc3ccccc32)c1 ZINC000301180042 1123880222 /nfs/dbraw/zinc/88/02/22/1123880222.db2.gz HIMHNMZEXHUUMT-NSHDSACASA-N 0 0 295.342 3.517 20 10 CHCDRN CCOc1ccc(N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000864012289 1123909313 /nfs/dbraw/zinc/90/93/13/1123909313.db2.gz CIFSEZKZMZVQJL-UHFFFAOYSA-N 0 0 284.403 3.788 20 10 CHCDRN CN(C)c1cc(F)cc(NCc2c(O)cccc2Cl)c1 ZINC000864016736 1123909815 /nfs/dbraw/zinc/90/98/15/1123909815.db2.gz MONIQIVLJUCAHX-UHFFFAOYSA-N 0 0 294.757 3.863 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNc1ncccc1Cl ZINC000301577973 1123914183 /nfs/dbraw/zinc/91/41/83/1123914183.db2.gz RNNCHLIPODCCCL-UHFFFAOYSA-N 0 0 275.783 3.722 20 10 CHCDRN CCc1cc(NCc2c(O)cc(C)cc2Cl)no1 ZINC000840880053 1123960463 /nfs/dbraw/zinc/96/04/63/1123960463.db2.gz VLZGILMQEDMNPL-UHFFFAOYSA-N 0 0 266.728 3.517 20 10 CHCDRN CC[C@H](C)[C@@H](C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000779854508 1129156772 /nfs/dbraw/zinc/15/67/72/1129156772.db2.gz GVHLTZOWNCBVHA-LSDHHAIUSA-N 0 0 290.451 3.831 20 10 CHCDRN Cc1cncc(/C=C/C(=O)N2C[C@H](C)c3ccccc32)c1 ZINC000120517629 1123973472 /nfs/dbraw/zinc/97/34/72/1123973472.db2.gz OYRVSSGKMBJQAI-NPQIQWPPSA-N 0 0 278.355 3.554 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)C1(OC)CCC1)c1ccc(F)cc1[O-] ZINC000840884351 1123995883 /nfs/dbraw/zinc/99/58/83/1123995883.db2.gz KWDRIGCBTUJNKM-RISCZKNCSA-N 0 0 281.371 3.530 20 10 CHCDRN FC[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000865822441 1124017949 /nfs/dbraw/zinc/01/79/49/1124017949.db2.gz HFENGDIRTSYFJU-MRXNPFEDSA-N 0 0 289.325 3.561 20 10 CHCDRN CCC[C@H](O)CCCSc1ncc(Cl)s1 ZINC000866033657 1124030439 /nfs/dbraw/zinc/03/04/39/1124030439.db2.gz QCJSCFNYHUNBAG-QMMMGPOBSA-N 0 0 265.831 3.830 20 10 CHCDRN CCC[C@H](CCO)[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000866415198 1124064343 /nfs/dbraw/zinc/06/43/43/1124064343.db2.gz RQOVILYWPMJOTB-BXUZGUMPSA-N 0 0 285.815 3.637 20 10 CHCDRN CCC[C@H](CCO)[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000866415200 1124064464 /nfs/dbraw/zinc/06/44/64/1124064464.db2.gz RQOVILYWPMJOTB-RISCZKNCSA-N 0 0 285.815 3.637 20 10 CHCDRN CC[C@H](Nc1cnn2c1CCCC2)c1ccc(C)cc1O ZINC000866461809 1124068945 /nfs/dbraw/zinc/06/89/45/1124068945.db2.gz VAFZOQLEYGCTGV-AWEZNQCLSA-N 0 0 285.391 3.797 20 10 CHCDRN COC(C)(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000866505135 1124073725 /nfs/dbraw/zinc/07/37/25/1124073725.db2.gz HWHWOLXHADZQMR-JTQLQIEISA-N 0 0 271.788 3.511 20 10 CHCDRN C[C@@H]([NH2+]CCSCCC(F)(F)F)c1ccccc1O ZINC000866543154 1124080976 /nfs/dbraw/zinc/08/09/76/1124080976.db2.gz MHXKSKSWPNFDAF-SNVBAGLBSA-N 0 0 293.354 3.728 20 10 CHCDRN COc1ccc(N(C)Cc2cccc(Cl)n2)cc1F ZINC000121752759 1124101489 /nfs/dbraw/zinc/10/14/89/1124101489.db2.gz IYPAHYROQQNBEQ-UHFFFAOYSA-N 0 0 280.730 3.519 20 10 CHCDRN COc1cc(Cl)cc(CNc2ccccc2C)c1O ZINC000076274182 1129175342 /nfs/dbraw/zinc/17/53/42/1129175342.db2.gz VYVUTLGFZSZLEL-UHFFFAOYSA-N 0 0 277.751 3.975 20 10 CHCDRN Cc1cc(OC(C)C)ncc1-c1ccnc2c1ccn2C ZINC001238828941 1131250502 /nfs/dbraw/zinc/25/05/02/1131250502.db2.gz OPRHEMDMVWRLSM-UHFFFAOYSA-N 0 0 281.359 3.731 20 10 CHCDRN C[C@H](NC(=O)[C@H]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000819501807 1131251570 /nfs/dbraw/zinc/25/15/70/1131251570.db2.gz LWHXMQLPUDDXLM-KEYYUXOJSA-N 0 0 288.435 3.756 20 10 CHCDRN CC[C@@H](CC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871203074 1124602730 /nfs/dbraw/zinc/60/27/30/1124602730.db2.gz RKUJADQRZNAIOS-AWEZNQCLSA-N 0 0 295.382 3.818 20 10 CHCDRN O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1Cc2cccc(O)c2C1 ZINC000871203023 1124602981 /nfs/dbraw/zinc/60/29/81/1124602981.db2.gz KMTAXCXMBDXPOU-RRFJBIMHSA-N 0 0 299.414 3.841 20 10 CHCDRN CC[C@H]([NH2+]CCC(C)(C)COC)c1ccc(F)cc1[O-] ZINC000872104606 1124683122 /nfs/dbraw/zinc/68/31/22/1124683122.db2.gz KZLRUZWZEBEAIL-AWEZNQCLSA-N 0 0 283.387 3.635 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1CC(C)C ZINC000825679546 1124771995 /nfs/dbraw/zinc/77/19/95/1124771995.db2.gz USZXCPBHHMDTJW-HZPDHXFCSA-N 0 0 289.419 3.813 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C1CCC=CCC1 ZINC000820880067 1131307540 /nfs/dbraw/zinc/30/75/40/1131307540.db2.gz XDPWQTPMOUDCQY-UHFFFAOYSA-N 0 0 287.403 3.877 20 10 CHCDRN C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124666908 1124803221 /nfs/dbraw/zinc/80/32/21/1124803221.db2.gz ABNSZYSHHMPSIN-GWCFXTLKSA-N 0 0 253.773 3.714 20 10 CHCDRN CC(=O)Nc1cccc(N[C@H](C)c2ccc(C)cc2O)c1 ZINC000020089355 1124804785 /nfs/dbraw/zinc/80/47/85/1124804785.db2.gz XPGRABDHTGRFTC-GFCCVEGCSA-N 0 0 284.359 3.832 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)C1(C)CCC(F)(F)CC1 ZINC000528822583 1124820184 /nfs/dbraw/zinc/82/01/84/1124820184.db2.gz COWAWEULMPFYMN-UHFFFAOYSA-N 0 0 297.345 3.566 20 10 CHCDRN Cc1cc(O)c(CNc2cn(C)nc2C(C)C)cc1Cl ZINC000825753001 1124869149 /nfs/dbraw/zinc/86/91/49/1124869149.db2.gz LEORBYZAADYXOK-UHFFFAOYSA-N 0 0 293.798 3.823 20 10 CHCDRN CC[C@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC000875176016 1124882535 /nfs/dbraw/zinc/88/25/35/1124882535.db2.gz LUDOQTZDHZQTCE-CJNGLKHVSA-N 0 0 298.386 3.904 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SCc1cccc(N)c1 ZINC000821070067 1131318319 /nfs/dbraw/zinc/31/83/19/1131318319.db2.gz YFJSLDMLXKTLPG-UHFFFAOYSA-N 0 0 295.411 3.962 20 10 CHCDRN CCCCN(C(=O)/C=C\c1ccc(C)nc1)c1ccncc1 ZINC000876289466 1124936020 /nfs/dbraw/zinc/93/60/20/1124936020.db2.gz NSWFAFSKBUVHDU-FPLPWBNLSA-N 0 0 295.386 3.632 20 10 CHCDRN CCCCN(C(=O)/C(C)=C/c1cccnc1)c1ccncc1 ZINC000876293071 1124937240 /nfs/dbraw/zinc/93/72/40/1124937240.db2.gz SPVGHOZFIHPABZ-FYWRMAATSA-N 0 0 295.386 3.713 20 10 CHCDRN CCC[C@@H](NC(=O)Nc1ccc(N)cc1)C(C)(C)C ZINC000841300570 1124955384 /nfs/dbraw/zinc/95/53/84/1124955384.db2.gz WLDRDYJIKFAXHQ-CYBMUJFWSA-N 0 0 263.385 3.605 20 10 CHCDRN COc1cc(C)ccc1NCc1ccc(C)cc1O ZINC000876848901 1124984773 /nfs/dbraw/zinc/98/47/73/1124984773.db2.gz NYXAXRHVBOCBAC-UHFFFAOYSA-N 0 0 257.333 3.630 20 10 CHCDRN Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])CC2 ZINC000877015542 1124998776 /nfs/dbraw/zinc/99/87/76/1124998776.db2.gz SXASOCSJRDIYQU-HNNXBMFYSA-N 0 0 289.325 3.756 20 10 CHCDRN CN(C(=O)[C@@H]1CCC[C@@H]1c1ccccc1)c1ccc(N)cc1 ZINC000877074724 1125005468 /nfs/dbraw/zinc/00/54/68/1125005468.db2.gz QXPWZPLTJWVTIB-QZTJIDSGSA-N 0 0 294.398 3.816 20 10 CHCDRN CCCOc1ccc(NC(=O)Cc2ccc(N)cc2)cc1C ZINC000877084418 1125008379 /nfs/dbraw/zinc/00/83/79/1125008379.db2.gz MQOVKROCTZSDQF-UHFFFAOYSA-N 0 0 298.386 3.547 20 10 CHCDRN CCCCc1noc([C@H](C)N[C@H](C)c2ccccc2O)n1 ZINC000879650064 1125223171 /nfs/dbraw/zinc/22/31/71/1125223171.db2.gz ZJBURHNUOVDKLC-NEPJUHHUSA-N 0 0 289.379 3.530 20 10 CHCDRN O=[N+]([O-])c1ccccc1NCCCSc1nccs1 ZINC000074277233 1125352741 /nfs/dbraw/zinc/35/27/41/1125352741.db2.gz HRVXKOBVGITUAN-UHFFFAOYSA-N 0 0 295.389 3.646 20 10 CHCDRN O=C(C1=CC(=O)CS1)N1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000882747683 1125354970 /nfs/dbraw/zinc/35/49/70/1125354970.db2.gz DWOJJQXHZWWNLR-HZMBPMFUSA-N 0 0 285.368 3.528 20 10 CHCDRN CC(C)([NH2+]Cc1cc(F)cc(F)c1[O-])c1cccc(F)c1 ZINC000883016258 1125368404 /nfs/dbraw/zinc/36/84/04/1125368404.db2.gz SHEAARRNKBDCRA-UHFFFAOYSA-N 0 0 295.304 3.834 20 10 CHCDRN CC[C@@H]([NH2+]CCc1ccns1)c1cccc(Cl)c1[O-] ZINC000883247625 1125384426 /nfs/dbraw/zinc/38/44/26/1125384426.db2.gz QTGKYMAHOIYDHC-CYBMUJFWSA-N 0 0 296.823 3.786 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000310873627 1125389861 /nfs/dbraw/zinc/38/98/61/1125389861.db2.gz QESHCDCZGWFBHA-TXEJJXNPSA-N 0 0 265.784 3.668 20 10 CHCDRN COc1cccc([C@H](C)Nc2cnc(C)c(C)c2)c1O ZINC000883342581 1125398498 /nfs/dbraw/zinc/39/84/98/1125398498.db2.gz DTKAKBRJOLZDFT-LBPRGKRZSA-N 0 0 272.348 3.586 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])[C@H]1CCCOC1 ZINC000883353266 1125400078 /nfs/dbraw/zinc/40/00/78/1125400078.db2.gz RITPTOCDEFLHSU-ZETOZRRWSA-N 0 0 299.361 3.526 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccc(F)cc1[O-] ZINC000883357718 1125401212 /nfs/dbraw/zinc/40/12/12/1125401212.db2.gz RMTPIHADGOXFRL-UKRRQHHQSA-N 0 0 293.382 3.674 20 10 CHCDRN CSc1ncc(-c2ccccc2)n1CC(F)(F)F ZINC000072050795 1129186865 /nfs/dbraw/zinc/18/68/65/1129186865.db2.gz JJYAEZOINHMGGB-UHFFFAOYSA-N 0 0 272.295 3.834 20 10 CHCDRN Oc1cccc(Nc2ccc(Br)cc2F)c1O ZINC001212870546 1129208403 /nfs/dbraw/zinc/20/84/03/1129208403.db2.gz FKFZQSSADDCZRV-UHFFFAOYSA-N 0 0 298.111 3.743 20 10 CHCDRN CC[C@H]([NH2+]Cc1scnc1C)c1ccc(F)cc1[O-] ZINC000796760359 1129265550 /nfs/dbraw/zinc/26/55/50/1129265550.db2.gz COFJYBZKHIFQMX-LBPRGKRZSA-N 0 0 280.368 3.537 20 10 CHCDRN COc1cc(C)ccc1N[C@@H](C)c1ccccc1O ZINC000037783073 1129269770 /nfs/dbraw/zinc/26/97/70/1129269770.db2.gz UQKNUIGJJUCRKT-LBPRGKRZSA-N 0 0 257.333 3.882 20 10 CHCDRN C[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc(Br)c1[O-] ZINC000091937697 1129375058 /nfs/dbraw/zinc/37/50/58/1129375058.db2.gz QGKPYFRTWHJHFT-AOOOYVTPSA-N 0 0 284.197 3.528 20 10 CHCDRN Cc1ncccc1/C=C\C(=O)N1CCCc2cc(F)ccc21 ZINC001125025424 1131370016 /nfs/dbraw/zinc/37/00/16/1131370016.db2.gz JFIAXNFOBQQYNP-TWGQIWQCSA-N 0 0 296.345 3.522 20 10 CHCDRN CCOc1ccc(N(CC)CCc2scnc2C)cc1 ZINC000738309289 1129392908 /nfs/dbraw/zinc/39/29/08/1129392908.db2.gz LSJLUPUBONUIEM-UHFFFAOYSA-N 0 0 290.432 3.919 20 10 CHCDRN COc1ccc(N(C)Cc2c(C)cccc2C)cc1OC ZINC000738310439 1129392987 /nfs/dbraw/zinc/39/29/87/1129392987.db2.gz YFOIQFBHGKHKAZ-UHFFFAOYSA-N 0 0 285.387 3.957 20 10 CHCDRN CCOc1ccc(N(C)Cc2cn3cccc(C)c3n2)cc1 ZINC000739923018 1129409476 /nfs/dbraw/zinc/40/94/76/1129409476.db2.gz BJNMXEXHBQGWFM-UHFFFAOYSA-N 0 0 295.386 3.678 20 10 CHCDRN CC(=O)Nc1nc2ccc(Nc3ccc(N)cc3)cc2s1 ZINC001212942402 1129409501 /nfs/dbraw/zinc/40/95/01/1129409501.db2.gz FBXWAGFOQILTAS-UHFFFAOYSA-N 0 0 298.371 3.581 20 10 CHCDRN CCOc1ccc(N(C)CCc2ccc(OC)cc2)cc1 ZINC000739926918 1129409547 /nfs/dbraw/zinc/40/95/47/1129409547.db2.gz NZBVGPUDSFZDQI-UHFFFAOYSA-N 0 0 285.387 3.773 20 10 CHCDRN Oc1cccc(Cl)c1CNc1ncccc1Cl ZINC000795805479 1129449709 /nfs/dbraw/zinc/44/97/09/1129449709.db2.gz GYXPQCYFZJHEOT-UHFFFAOYSA-N 0 0 269.131 3.706 20 10 CHCDRN Fc1cccc(-c2nnc(CSc3nccs3)o2)c1 ZINC000741852309 1129456709 /nfs/dbraw/zinc/45/67/09/1129456709.db2.gz CCRHNKZKLPMGJN-UHFFFAOYSA-N 0 0 293.348 3.625 20 10 CHCDRN CCCC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000742417109 1129477686 /nfs/dbraw/zinc/47/76/86/1129477686.db2.gz IMZZOGFWMRTUQB-UHFFFAOYSA-N 0 0 288.435 3.872 20 10 CHCDRN C/C(=C\C(=O)NCc1ccc(N(C)C)c(F)c1)C(C)(C)C ZINC000742597264 1129489899 /nfs/dbraw/zinc/48/98/99/1129489899.db2.gz 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1130001299 /nfs/dbraw/zinc/00/12/99/1130001299.db2.gz CFEXHYZTZKUACQ-FPLPWBNLSA-N 0 0 296.345 3.522 20 10 CHCDRN Cc1cncc(/C=C/C(=O)N2CCCc3c(F)cccc32)c1 ZINC000772159081 1130008191 /nfs/dbraw/zinc/00/81/91/1130008191.db2.gz MBRQTABIVJTZLY-BQYQJAHWSA-N 0 0 296.345 3.522 20 10 CHCDRN COc1ccc2c(c1)CCCCN2Cc1ncc(C)s1 ZINC000772273820 1130013412 /nfs/dbraw/zinc/01/34/12/1130013412.db2.gz ZVTQQCCGDFAUMZ-UHFFFAOYSA-N 0 0 288.416 3.803 20 10 CHCDRN C[C@@H](Nc1cnc2ccccc2n1)c1ccc(N(C)C)cc1 ZINC000772298036 1130016049 /nfs/dbraw/zinc/01/60/49/1130016049.db2.gz QFBBTWOHMBFNKE-CYBMUJFWSA-N 0 0 292.386 3.869 20 10 CHCDRN Cc1nc(N[C@H](C)c2ccc(N(C)C)cc2)sc1C ZINC000772299727 1130016597 /nfs/dbraw/zinc/01/65/97/1130016597.db2.gz GSUKHPQELJAPLD-LLVKDONJSA-N 0 0 275.421 3.999 20 10 CHCDRN CC(C)c1cc(N[C@@H](C)c2ccc(N(C)C)cc2)ncn1 ZINC000772300932 1130016722 /nfs/dbraw/zinc/01/67/22/1130016722.db2.gz RFQHNRHDNVLKOG-ZDUSSCGKSA-N 0 0 284.407 3.839 20 10 CHCDRN CC[C@@](C)([NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000691514385 1130019757 /nfs/dbraw/zinc/01/97/57/1130019757.db2.gz PHMKMMVEFDOHSU-CQSZACIVSA-N 0 0 253.773 3.714 20 10 CHCDRN COc1ccc2c(c1)CCN2Cc1sccc1C ZINC000772597329 1130031908 /nfs/dbraw/zinc/03/19/08/1130031908.db2.gz CXJFIXXPKHQXGO-UHFFFAOYSA-N 0 0 259.374 3.628 20 10 CHCDRN Cn1cnc2cc(NCc3ccc4cnccc4c3)ccc21 ZINC000785496171 1130037042 /nfs/dbraw/zinc/03/70/42/1130037042.db2.gz LDTSWSXTAUYXQA-UHFFFAOYSA-N 0 0 288.354 3.734 20 10 CHCDRN CCc1ccc2occ(C(=O)NCc3ccccc3O)c2c1 ZINC000802777342 1130037027 /nfs/dbraw/zinc/03/70/27/1130037027.db2.gz JHKBGKZMCTWKTQ-UHFFFAOYSA-N 0 0 295.338 3.631 20 10 CHCDRN CNc1ccc(C)cc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000902705120 1130042086 /nfs/dbraw/zinc/04/20/86/1130042086.db2.gz SSHPOWLUMFMLLD-UHFFFAOYSA-N 0 0 290.794 3.686 20 10 CHCDRN COc1ccc(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)cn1 ZINC000785567139 1130042939 /nfs/dbraw/zinc/04/29/39/1130042939.db2.gz MDAOBCXZKGWIDW-CABZTGNLSA-N 0 0 288.322 3.595 20 10 CHCDRN COc1ccc(N(C[C@@H]2CCO[C@@H](C)C2)C(C)C)cc1F 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C[C@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1(F)F ZINC000689235681 1130182103 /nfs/dbraw/zinc/18/21/03/1130182103.db2.gz FXSNZWACGOOQKL-LLVKDONJSA-N 0 0 296.144 3.834 20 10 CHCDRN CCCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788498155 1130191252 /nfs/dbraw/zinc/19/12/52/1130191252.db2.gz LIAHCXWTSDGHBG-SECBINFHSA-N 0 0 261.287 3.862 20 10 CHCDRN c1csc(Sc2nccc(Oc3ccccc3)n2)n1 ZINC000788532913 1130194454 /nfs/dbraw/zinc/19/44/54/1130194454.db2.gz WTBTZFIBXSAZPA-UHFFFAOYSA-N 0 0 287.369 3.877 20 10 CHCDRN COc1cccc(CNc2cccc3c2OC(C)(C)C3)c1O ZINC000788972834 1130221308 /nfs/dbraw/zinc/22/13/08/1130221308.db2.gz IGKFDLNLHAWRFZ-UHFFFAOYSA-N 0 0 299.370 3.726 20 10 CHCDRN Cc1ccc(O)c(CNc2ccc(OCC(F)F)cc2)c1 ZINC000748240686 1130225176 /nfs/dbraw/zinc/22/51/76/1130225176.db2.gz ZPWBEQAHPIHCAO-UHFFFAOYSA-N 0 0 293.313 3.957 20 10 CHCDRN Cc1ccc(NC(=O)NCc2ccccc2O)c(Cl)c1 ZINC000748437861 1130231838 /nfs/dbraw/zinc/23/18/38/1130231838.db2.gz AUBVPLZSHRULOO-UHFFFAOYSA-N 0 0 290.750 3.676 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(-c2ccc3nccn3c2)cn1 ZINC001240219850 1130238085 /nfs/dbraw/zinc/23/80/85/1130238085.db2.gz XNGKCWUYXXCTEA-UHFFFAOYSA-N 0 0 288.354 3.804 20 10 CHCDRN Cc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])nc1 ZINC000789588190 1130260803 /nfs/dbraw/zinc/26/08/03/1130260803.db2.gz ACJUEFIVQNTCFG-UHFFFAOYSA-N 0 0 294.757 3.520 20 10 CHCDRN CCOC(=O)[C@H](CC)Sc1ncc(C(C)(C)C)s1 ZINC000789930101 1130281411 /nfs/dbraw/zinc/28/14/11/1130281411.db2.gz QHSBYRLEEXFTGH-VIFPVBQESA-N 0 0 287.450 3.874 20 10 CHCDRN Cc1csc2c1ncnc2NCc1ccc(N(C)C)cc1 ZINC000790086237 1130289527 /nfs/dbraw/zinc/28/95/27/1130289527.db2.gz OZDOQFDGKCCFAO-UHFFFAOYSA-N 0 0 298.415 3.678 20 10 CHCDRN CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000754169981 1130307777 /nfs/dbraw/zinc/30/77/77/1130307777.db2.gz PALMWMMRILWXGA-NXEZZACHSA-N 0 0 283.799 3.772 20 10 CHCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCCC(F)(F)F ZINC000790971219 1130341818 /nfs/dbraw/zinc/34/18/18/1130341818.db2.gz SFVJETHIZCKMKH-UHFFFAOYSA-N 0 0 285.668 3.617 20 10 CHCDRN O=C(/C=C/c1cccnc1)N1CC2(CCC2)c2ccccc21 ZINC000791019979 1130346163 /nfs/dbraw/zinc/34/61/63/1130346163.db2.gz MICDDCHEUOFYER-CMDGGOBGSA-N 0 0 290.366 3.563 20 10 CHCDRN COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@@H]2CC[C@@H](C)C2)C1 ZINC001170152355 1130361738 /nfs/dbraw/zinc/36/17/38/1130361738.db2.gz KQJOUJKBZSGXHW-ZIAGYGMSSA-N 0 0 298.430 3.734 20 10 CHCDRN Cn1ccc2ccc(-c3ncc(C(F)(F)F)cc3N)cc21 ZINC001240570701 1130365319 /nfs/dbraw/zinc/36/53/19/1130365319.db2.gz CJZFGNZGFJTUNT-UHFFFAOYSA-N 0 0 291.276 3.841 20 10 CHCDRN Cc1c2cc[nH]c2ncc1-c1ccc2ccn(C)c2c1 ZINC001240574055 1130367023 /nfs/dbraw/zinc/36/70/23/1130367023.db2.gz QKLKCTODRQYSHB-UHFFFAOYSA-N 0 0 261.328 3.982 20 10 CHCDRN Cn1ccc2ccc(-c3cnc(N4CCCCC4)nc3)cc21 ZINC001240574689 1130368092 /nfs/dbraw/zinc/36/80/92/1130368092.db2.gz YAOJCXZXCPLXQY-UHFFFAOYSA-N 0 0 292.386 3.626 20 10 CHCDRN C[C@H](C1CC1)[N@H+](Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000792162953 1130434514 /nfs/dbraw/zinc/43/45/14/1130434514.db2.gz 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1130692059 /nfs/dbraw/zinc/69/20/59/1130692059.db2.gz JIVJIMGLPBQLDY-ZFWWWQNUSA-N 0 0 290.407 3.502 20 10 CHCDRN COc1ccc(N(C)Cc2cccc(C)c2O)cc1Cl ZINC000780778896 1130692083 /nfs/dbraw/zinc/69/20/83/1130692083.db2.gz XAPWZSOGUSOWNH-UHFFFAOYSA-N 0 0 291.778 3.999 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)CCCC1CC1 ZINC000812492851 1130694605 /nfs/dbraw/zinc/69/46/05/1130694605.db2.gz PEBOLUQLCVIZCY-UHFFFAOYSA-N 0 0 275.392 3.711 20 10 CHCDRN Cc1cc(O)c(CNc2nnc(-c3ccccc3)o2)cc1C ZINC000780904467 1130694681 /nfs/dbraw/zinc/69/46/81/1130694681.db2.gz NSLPDMANDRQSHR-UHFFFAOYSA-N 0 0 295.342 3.671 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1CCC ZINC000812565995 1130700052 /nfs/dbraw/zinc/70/00/52/1130700052.db2.gz XIQGVPCYNMYHSD-GDBMZVCRSA-N 0 0 289.419 3.957 20 10 CHCDRN Oc1c(CN2C[C@@H](F)[C@@H](F)C2)cccc1-c1ccccc1 ZINC001235003075 1130702817 /nfs/dbraw/zinc/70/28/17/1130702817.db2.gz SLZRWSXKVAODBA-IYBDPMFKSA-N 0 0 289.325 3.551 20 10 CHCDRN CCOc1cccc(CNc2ncc(Cl)cc2C)c1O ZINC000812784377 1130713919 /nfs/dbraw/zinc/71/39/19/1130713919.db2.gz KZLRXQIHQJJIEJ-UHFFFAOYSA-N 0 0 292.766 3.760 20 10 CHCDRN Cn1ccc2c1nccc2-c1c(Cl)ccnc1Cl ZINC001244940093 1130726366 /nfs/dbraw/zinc/72/63/66/1130726366.db2.gz GDMBLSIPRDINRK-UHFFFAOYSA-N 0 0 278.142 3.942 20 10 CHCDRN C[C@H](NC(=O)[C@H]1[C@H](c2ccccc2)[C@@H]1C)c1ccccc1O ZINC000827963810 1130754501 /nfs/dbraw/zinc/75/45/01/1130754501.db2.gz BBGWVJRHGWTNLO-DSIZOQBWSA-N 0 0 295.382 3.619 20 10 CHCDRN CCC[C@](C)(CC)C(=O)N[C@@H](C)c1ccccc1O ZINC000827964828 1130774658 /nfs/dbraw/zinc/77/46/58/1130774658.db2.gz XCQNAOVPGHMJGR-LRDDRELGSA-N 0 0 263.381 3.786 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1cc(F)ccc1O ZINC000695135306 1130792595 /nfs/dbraw/zinc/79/25/95/1130792595.db2.gz CFPZQVUYGIBMQC-KOLCDFICSA-N 0 0 273.298 3.760 20 10 CHCDRN COCOc1ccc(-c2cccc3c2cc(C)n3C)cn1 ZINC001235963630 1130820355 /nfs/dbraw/zinc/82/03/55/1130820355.db2.gz CENQZFRHSZQTHS-UHFFFAOYSA-N 0 0 282.343 3.531 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH+](C1CCC1)C1CCC1 ZINC000814177676 1130835053 /nfs/dbraw/zinc/83/50/53/1130835053.db2.gz LPWFZNQUMWLVSM-UHFFFAOYSA-N 0 0 265.784 3.953 20 10 CHCDRN CN(C)c1ccc(CN(C)C(=O)C(C)(C)C(C)(C)C)cc1 ZINC000814259472 1130853262 /nfs/dbraw/zinc/85/32/62/1130853262.db2.gz OOCRHAAAMBHPTH-UHFFFAOYSA-N 0 0 290.451 3.783 20 10 CHCDRN C/C(=C/C(C)(C)C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827969621 1130854904 /nfs/dbraw/zinc/85/49/04/1130854904.db2.gz QCOAVUSASYVLAZ-WEHUKYGOSA-N 0 0 261.365 3.562 20 10 CHCDRN Cc1ccncc1/C=C\C(=O)N1CC[C@@H](C)c2ccccc21 ZINC000783903451 1130862398 /nfs/dbraw/zinc/86/23/98/1130862398.db2.gz KVCCDNUZNFEWMR-ZPIQOJFGSA-N 0 0 292.382 3.944 20 10 CHCDRN Nc1ccc(Nc2cc(CCc3ccccc3)no2)cc1 ZINC001159118047 1130863090 /nfs/dbraw/zinc/86/30/90/1130863090.db2.gz SWUFDZCKHHFZDR-UHFFFAOYSA-N 0 0 279.343 3.786 20 10 CHCDRN CSc1cccc(N(C)C(=O)/C=C/c2cnccc2C)c1 ZINC000783950759 1130864449 /nfs/dbraw/zinc/86/44/49/1130864449.db2.gz JKFYJGYJASUSNQ-BQYQJAHWSA-N 0 0 298.411 3.788 20 10 CHCDRN Cc1ccc(C[C@H](C)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827970182 1130867357 /nfs/dbraw/zinc/86/73/57/1130867357.db2.gz YYEYZTYQRFTBJZ-GJZGRUSLSA-N 0 0 297.398 3.757 20 10 CHCDRN CSc1ccc(N(C)C(=O)/C=C\c2cnccc2C)cc1 ZINC000783991169 1130867659 /nfs/dbraw/zinc/86/76/59/1130867659.db2.gz DRKTUNPTDWNVMC-WTKPLQERSA-N 0 0 298.411 3.788 20 10 CHCDRN Cc1ccncc1/C=C\C(=O)N1CCCc2c(C)cccc21 ZINC000783997232 1130867785 /nfs/dbraw/zinc/86/77/85/1130867785.db2.gz BOACRJXHBYWFJK-HJWRWDBZSA-N 0 0 292.382 3.691 20 10 CHCDRN Fc1cccc2oc(Sc3nccs3)nc21 ZINC000784102649 1130878025 /nfs/dbraw/zinc/87/80/25/1130878025.db2.gz HRICQWOUBLYTHO-UHFFFAOYSA-N 0 0 252.295 3.575 20 10 CHCDRN Cc1cc(CSc2nccs2)ccc1N(C)C ZINC000814743369 1130906939 /nfs/dbraw/zinc/90/69/39/1130906939.db2.gz BDEGGZFGYQYJBZ-UHFFFAOYSA-N 0 0 264.419 3.810 20 10 CHCDRN CC[C@H]([NH2+]CCc1ccccc1F)c1ccc(F)cc1[O-] ZINC000796672739 1130922990 /nfs/dbraw/zinc/92/29/90/1130922990.db2.gz NMCWAFLQALNANS-INIZCTEOSA-N 0 0 291.341 3.954 20 10 CHCDRN CC[C@H]([NH2+]Cc1cc(C(C)C)no1)c1ccc(F)cc1[O-] ZINC000796763952 1130930038 /nfs/dbraw/zinc/93/00/38/1130930038.db2.gz SYUOCMQEVJQZJY-AWEZNQCLSA-N 0 0 292.354 3.884 20 10 CHCDRN CC[C@@H]([NH2+]CC(CC)(CC)CCO)c1ccc(F)cc1[O-] ZINC000796778149 1130930857 /nfs/dbraw/zinc/93/08/57/1130930857.db2.gz FVBSRPBPHFEACG-OAHLLOKOSA-N 0 0 297.414 3.761 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H](CCO)CC(C)C)c1ccc(F)cc1[O-] ZINC000796781282 1130932144 /nfs/dbraw/zinc/93/21/44/1130932144.db2.gz LRLWMMCBJNPVFT-BBRMVZONSA-N 0 0 297.414 3.617 20 10 CHCDRN Cc1ccc(C(C)(C)[NH2+]Cc2ccc(N(C)C)c(C)c2)cn1 ZINC000815092170 1130960828 /nfs/dbraw/zinc/96/08/28/1130960828.db2.gz BJJJINRGEDWQLT-UHFFFAOYSA-N 0 0 297.446 3.789 20 10 CHCDRN COc1cccc(O)c1CNc1ccc([C@@H]2CCOC2)cc1 ZINC000815153987 1130963457 /nfs/dbraw/zinc/96/34/57/1130963457.db2.gz KUJMKXYMNMAPPH-CQSZACIVSA-N 0 0 299.370 3.517 20 10 CHCDRN Oc1cccc(Cl)c1CNc1cccc(C2CC2)n1 ZINC000815144270 1130965819 /nfs/dbraw/zinc/96/58/19/1130965819.db2.gz WPJJKVRLPCPPQP-UHFFFAOYSA-N 0 0 274.751 3.930 20 10 CHCDRN COc1ccc2ccc(O)c(C[N@H+]3CC(C)=C[C@H](C)C3)c2c1 ZINC000797416025 1130985672 /nfs/dbraw/zinc/98/56/72/1130985672.db2.gz FMKFVWRSPRFWJT-ZDUSSCGKSA-N 0 0 297.398 3.952 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1cc(F)cc(F)c1[O-] ZINC000797586426 1130994975 /nfs/dbraw/zinc/99/49/75/1130994975.db2.gz COMCTPDJSQRROE-DTWKUNHWSA-N 0 0 291.288 3.756 20 10 CHCDRN CC(C)(CC(=O)NCCCSc1nccs1)C1CC1 ZINC000815590726 1131004870 /nfs/dbraw/zinc/00/48/70/1131004870.db2.gz GTMORJGOLWCDCZ-UHFFFAOYSA-N 0 0 298.477 3.568 20 10 CHCDRN Oc1cc(Cl)c(Cl)cc1CN1C[C@@H](F)C[C@H]1CF ZINC001236794600 1131008681 /nfs/dbraw/zinc/00/86/81/1131008681.db2.gz SYFPEPOQEZDRKL-IUCAKERBSA-N 0 0 296.144 3.581 20 10 CHCDRN C[C@H]1C[C@@H](CF)N(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236792672 1131009843 /nfs/dbraw/zinc/00/98/43/1131009843.db2.gz GQSQWIXIQKMJGF-WPRPVWTQSA-N 0 0 292.181 3.879 20 10 CHCDRN C[C@H]([NH2+][C@H]1CC[C@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000815625372 1131010527 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ZINC001236826768 1131016804 /nfs/dbraw/zinc/01/68/04/1131016804.db2.gz MRCPVENUFRRQRW-UHFFFAOYSA-N 0 0 255.361 3.776 20 10 CHCDRN C[C@]1(F)CC[N@H+](Cc2cc3ccccc3cc2O)C[C@@H]1F ZINC001236827187 1131017241 /nfs/dbraw/zinc/01/72/41/1131017241.db2.gz QUHRSKCUMMJNRI-IRXDYDNUSA-N 0 0 291.341 3.817 20 10 CHCDRN CCN(Cc1ccc(C(C)C)cc1O)CC(F)(F)F ZINC001237049192 1131039880 /nfs/dbraw/zinc/03/98/80/1131039880.db2.gz MHZPPEVQXIWXDE-UHFFFAOYSA-N 0 0 275.314 3.900 20 10 CHCDRN Cc1ccc(C(=O)Nc2cccc(C(C)C)c2)c(O)c1O ZINC001135327471 1131040965 /nfs/dbraw/zinc/04/09/65/1131040965.db2.gz GUBMYDPPKNPIIT-UHFFFAOYSA-N 0 0 285.343 3.782 20 10 CHCDRN CC(C)c1ccc(C[N@@H+]2CCc3c(O)cccc3C2)c(O)c1 ZINC001237045884 1131041314 /nfs/dbraw/zinc/04/13/14/1131041314.db2.gz MHUDAVXKXUBHNV-UHFFFAOYSA-N 0 0 297.398 3.780 20 10 CHCDRN CC(C)c1ccc(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)c(O)c1 ZINC001237046285 1131041473 /nfs/dbraw/zinc/04/14/73/1131041473.db2.gz SLLBYQPFEKZUMX-CVEARBPZSA-N 0 0 283.362 3.788 20 10 CHCDRN C[C@@H]1c2cccn2CCN1Cc1c(O)ccc(F)c1Cl ZINC001237129653 1131054616 /nfs/dbraw/zinc/05/46/16/1131054616.db2.gz JDOYCWNKRFUQTI-SNVBAGLBSA-N 0 0 294.757 3.563 20 10 CHCDRN CCOC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000779072189 1131102568 /nfs/dbraw/zinc/10/25/68/1131102568.db2.gz KHQPUOCSAHPRQM-DTWKUNHWSA-N 0 0 292.206 3.775 20 10 CHCDRN CC[C@@H]1C[N@H+](Cc2cc(Cl)c(F)cc2[O-])CCS1 ZINC000816513107 1131103805 /nfs/dbraw/zinc/10/38/05/1131103805.db2.gz GNJUIWKVUZZBMZ-SNVBAGLBSA-N 0 0 289.803 3.512 20 10 CHCDRN Oc1c(C[N@@H+]2CCOC3(CCCC3)C2)ccc2ccccc21 ZINC000816513738 1131104296 /nfs/dbraw/zinc/10/42/96/1131104296.db2.gz AEIFCGHXNRIPDU-UHFFFAOYSA-N 0 0 297.398 3.690 20 10 CHCDRN C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cccc(O)c1 ZINC000816548280 1131106397 /nfs/dbraw/zinc/10/63/97/1131106397.db2.gz BVDNAMSDHYOGFX-SECBINFHSA-N 0 0 295.741 3.741 20 10 CHCDRN CCC(C)(CC)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816549982 1131106418 /nfs/dbraw/zinc/10/64/18/1131106418.db2.gz FCJZHVAURYCSRJ-UHFFFAOYSA-N 0 0 259.752 3.853 20 10 CHCDRN COc1ccc(NCc2cc(Cl)c(F)cc2O)cc1 ZINC000816522603 1131106903 /nfs/dbraw/zinc/10/69/03/1131106903.db2.gz HDAGNVYDUUNORG-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN COc1cc(NCc2cc(Cl)c(F)cc2O)ccc1F ZINC000816584848 1131108024 /nfs/dbraw/zinc/10/80/24/1131108024.db2.gz UFPQJAMTIGTZBE-UHFFFAOYSA-N 0 0 299.704 3.945 20 10 CHCDRN COc1ccc(NCc2ccc3ccccc3c2O)cn1 ZINC000816556501 1131109438 /nfs/dbraw/zinc/10/94/38/1131109438.db2.gz LDRNYYXXJHIWRB-UHFFFAOYSA-N 0 0 280.327 3.561 20 10 CHCDRN Cc1cncc(NCc2cc(Cl)c(F)cc2O)c1 ZINC000816558074 1131111523 /nfs/dbraw/zinc/11/15/23/1131111523.db2.gz MCWJOSGIPZDDDV-UHFFFAOYSA-N 0 0 266.703 3.500 20 10 CHCDRN CC(C)(C)n1cc(NCc2cc(Cl)c(F)cc2O)cn1 ZINC000816559873 1131111601 /nfs/dbraw/zinc/11/16/01/1131111601.db2.gz XYSHLGFZEPLYES-UHFFFAOYSA-N 0 0 297.761 3.748 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000816597680 1131114611 /nfs/dbraw/zinc/11/46/11/1131114611.db2.gz BJNCDRLEQQZFRI-QMMMGPOBSA-N 0 0 293.716 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1131567204 /nfs/dbraw/zinc/56/72/04/1131567204.db2.gz DBBYZCHBKBUIGG-ZDUSSCGKSA-N 0 0 276.424 3.756 20 10 CHCDRN CC[C@@H](C)[N@H+](C)Cc1cc(Br)c(F)cc1[O-] ZINC001144293661 1131613098 /nfs/dbraw/zinc/61/30/98/1131613098.db2.gz RPGMUSFHAFLQDC-MRVPVSSYSA-N 0 0 290.176 3.524 20 10 CHCDRN C[C@H]1C[N@@H+](Cc2c(F)ccc(F)c2[O-])CCC[C@@H]1C ZINC001139685682 1131628954 /nfs/dbraw/zinc/62/89/54/1131628954.db2.gz SRRCPMKWGHHGFH-QWRGUYRKSA-N 0 0 269.335 3.538 20 10 CHCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC2(C1)CCCCC2 ZINC001139690172 1131629304 /nfs/dbraw/zinc/62/93/04/1131629304.db2.gz RPRVRKNLRCEVHM-UHFFFAOYSA-N 0 0 281.346 3.827 20 10 CHCDRN COc1ccc(N(C)Cc2cnc(C(C)C)s2)cc1 ZINC000845997984 1131676362 /nfs/dbraw/zinc/67/63/62/1131676362.db2.gz HRXONWBQBVAFJB-UHFFFAOYSA-N 0 0 276.405 3.912 20 10 CHCDRN Cc1cc(C(=O)N[C@H]2CC[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC001140221802 1131679207 /nfs/dbraw/zinc/67/92/07/1131679207.db2.gz GKCAJPXAVZXYIG-UGSOOPFHSA-N 0 0 296.414 3.931 20 10 CHCDRN 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20 10 CHCDRN Oc1cccc(Cl)c1CN1CCC[C@@H]1c1nccs1 ZINC001140341380 1131703451 /nfs/dbraw/zinc/70/34/51/1131703451.db2.gz LEPCOGMBRAVDSH-GFCCVEGCSA-N 0 0 294.807 3.839 20 10 CHCDRN Oc1cccc(Cl)c1CN1CCCC[C@@H]1C(F)(F)F ZINC001140345709 1131704682 /nfs/dbraw/zinc/70/46/82/1131704682.db2.gz YIKWQETYHXGGMQ-GFCCVEGCSA-N 0 0 293.716 3.962 20 10 CHCDRN Oc1cccc2c1[C@@H](Nc1cc3c(c[nH+]1)CCCC3)CC2 ZINC000834807403 1131706239 /nfs/dbraw/zinc/70/62/39/1131706239.db2.gz PBYAUAUFSRYOJL-HNNXBMFYSA-N 0 0 280.371 3.765 20 10 CHCDRN CC[C@@H](N[C@H](CC)C(F)F)c1ccc(C)cc1O ZINC000834826107 1131707609 /nfs/dbraw/zinc/70/76/09/1131707609.db2.gz BPMDLTGBZAKNHW-VXGBXAGGSA-N 0 0 257.324 3.785 20 10 CHCDRN O=C(CCC1CCCC1)NCc1cc(Cl)ccc1O ZINC000846478814 1131710893 /nfs/dbraw/zinc/71/08/93/1131710893.db2.gz FDCGRDTZJQULKY-UHFFFAOYSA-N 0 0 281.783 3.632 20 10 CHCDRN C/C=C(/C=C/C(=O)NCc1cc(Cl)ccc1O)CC ZINC000846477398 1131710975 /nfs/dbraw/zinc/71/09/75/1131710975.db2.gz SWCDMDXDZLRTQR-GQHUZBHDSA-N 0 0 279.767 3.574 20 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O=C1c2ccccc2C(=O)c2c(O[C@@H]3C=CCC3)cccc21 ZINC001228078468 1131802123 /nfs/dbraw/zinc/80/21/23/1131802123.db2.gz IZCIAFUVJCJQTG-GFCCVEGCSA-N 0 0 290.318 3.559 20 10 CHCDRN CCC[N@H+](Cc1c([O-])cc(F)cc1F)[C@H](C)CC ZINC001140579930 1131805763 /nfs/dbraw/zinc/80/57/63/1131805763.db2.gz MUYYCICUMUAHTG-SNVBAGLBSA-N 0 0 257.324 3.681 20 10 CHCDRN C[N@@H+](Cc1c([O-])cc(F)cc1F)CC1CCCCC1 ZINC001140584387 1131809277 /nfs/dbraw/zinc/80/92/77/1131809277.db2.gz PKVCMTHSMXONEH-UHFFFAOYSA-N 0 0 269.335 3.683 20 10 CHCDRN C[N@H+](Cc1c([O-])cc(F)cc1F)[C@H]1CCc2ccccc21 ZINC001140584688 1131809393 /nfs/dbraw/zinc/80/93/93/1131809393.db2.gz BYKWLMLAKXSGSV-INIZCTEOSA-N 0 0 289.325 3.790 20 10 CHCDRN Cc1ccc(O)c(C[N@@H+]2CCc3cc(F)c(F)cc3C2)c1 ZINC001140624363 1131832785 /nfs/dbraw/zinc/83/27/85/1131832785.db2.gz SXFMUENFWUJCGF-UHFFFAOYSA-N 0 0 289.325 3.537 20 10 CHCDRN CCc1ccccc1C(=O)NCc1c(C)cc(C)cc1O ZINC001148417103 1131855654 /nfs/dbraw/zinc/85/56/54/1131855654.db2.gz QJWSWJYCNKCRPW-UHFFFAOYSA-N 0 0 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Oc1ccc2ccccc2c1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001231586167 1132316722 /nfs/dbraw/zinc/31/67/22/1132316722.db2.gz CKQPADZGAXBLRF-HNAYVOBHSA-N 0 0 297.398 3.546 20 10 CHCDRN Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001231586166 1132317503 /nfs/dbraw/zinc/31/75/03/1132317503.db2.gz CKQPADZGAXBLRF-DNVCBOLYSA-N 0 0 297.398 3.546 20 10 CHCDRN Oc1ccc2ccccc2c1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001231586165 1132317866 /nfs/dbraw/zinc/31/78/66/1132317866.db2.gz CKQPADZGAXBLRF-BEFAXECRSA-N 0 0 297.398 3.546 20 10 CHCDRN C[C@H](NC(=O)Nc1ccc(N)cc1)[C@@H]1CCC[C@H](C)C1 ZINC000841299275 1132343007 /nfs/dbraw/zinc/34/30/07/1132343007.db2.gz YXWGRENACXZRHI-RWMBFGLXSA-N 0 0 275.396 3.605 20 10 CHCDRN CCC[C@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(N)cc1 ZINC000841299878 1132343377 /nfs/dbraw/zinc/34/33/77/1132343377.db2.gz LDWYLQXIUYXGIQ-WFASDCNBSA-N 0 0 275.396 3.701 20 10 CHCDRN Cc1c(NC(=O)Nc2ccc(N)cc2)cnn1C1CCCC1 ZINC000841297970 1132343585 /nfs/dbraw/zinc/34/35/85/1132343585.db2.gz 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[O-]c1c(Cl)cccc1C[N@H+](Cc1ccco1)C1CC1 ZINC001231912870 1132398372 /nfs/dbraw/zinc/39/83/72/1132398372.db2.gz CRPWDCCRUIMHNR-UHFFFAOYSA-N 0 0 277.751 3.803 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001231910716 1132400631 /nfs/dbraw/zinc/40/06/31/1132400631.db2.gz RNJSODULXHNHMZ-UHFFFAOYSA-N 0 0 283.774 3.760 20 10 CHCDRN Cc1cccc(COc2ccc(N3CCCC3)cc2)n1 ZINC000842034191 1132404628 /nfs/dbraw/zinc/40/46/28/1132404628.db2.gz QPVCKSRKJVHTQE-UHFFFAOYSA-N 0 0 268.360 3.569 20 10 CHCDRN COc1cc(O)c(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)cc1Cl ZINC001232267785 1132446930 /nfs/dbraw/zinc/44/69/30/1132446930.db2.gz IXNUMNPLYOPKEG-RYUDHWBXSA-N 0 0 295.810 3.676 20 10 CHCDRN C[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])CC(F)F ZINC000842890861 1132474353 /nfs/dbraw/zinc/47/43/53/1132474353.db2.gz UMMADQQGWHEQEB-YUMQZZPRSA-N 0 0 279.277 3.612 20 10 CHCDRN CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1ccc(C)cc1 ZINC001143084484 1132497984 /nfs/dbraw/zinc/49/79/84/1132497984.db2.gz WGZSQVILBZHUMY-OAHLLOKOSA-N 0 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CC(C)=CNc1ccc(C(=O)Oc2ccc(N)cc2)cc1 ZINC001174556187 1132922602 /nfs/dbraw/zinc/92/26/02/1132922602.db2.gz NKIYNCAMQSXVMC-UHFFFAOYSA-N 0 0 282.343 3.824 20 10 CHCDRN COc1ccc(C)nc1NCc1cc2ccccc2cc1O ZINC001160206908 1132945480 /nfs/dbraw/zinc/94/54/80/1132945480.db2.gz NZZZRFYYAFIJRA-UHFFFAOYSA-N 0 0 294.354 3.870 20 10 CHCDRN Cc1cnc(C)nc1NCc1cc2ccccc2cc1O ZINC001160206409 1132945504 /nfs/dbraw/zinc/94/55/04/1132945504.db2.gz IKJORIDMLABGEK-UHFFFAOYSA-N 0 0 279.343 3.564 20 10 CHCDRN Nc1ccc(Nc2cc(Cl)cc3ncoc32)cc1 ZINC001160288986 1132958168 /nfs/dbraw/zinc/95/81/68/1132958168.db2.gz OVWOHRZWILVKTI-UHFFFAOYSA-N 0 0 259.696 3.807 20 10 CHCDRN Cc1cccc(CNC(F)(F)c2cccc(Cl)n2)c1O ZINC001160764136 1132979567 /nfs/dbraw/zinc/97/95/67/1132979567.db2.gz CQPRYGZFOJQETO-UHFFFAOYSA-N 0 0 298.720 3.588 20 10 CHCDRN Cc1cccc(CNc2ncc(Cl)cc2F)c1O ZINC001160765109 1132980025 /nfs/dbraw/zinc/98/00/25/1132980025.db2.gz SGMSOVYILLAFAX-UHFFFAOYSA-N 0 0 266.703 3.500 20 10 CHCDRN Cc1cccc(CNc2ccc3ccccc3n2)c1O 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CCn1nccc1N(Cc1ccccc1)c1ccc(N)cc1 ZINC001205317466 1133558941 /nfs/dbraw/zinc/55/89/41/1133558941.db2.gz CUUSKQIXSDKGCQ-UHFFFAOYSA-N 0 0 292.386 3.824 20 10 CHCDRN COc1cccc(NCc2ccc(Cl)cc2O)c1F ZINC001205491920 1133582804 /nfs/dbraw/zinc/58/28/04/1133582804.db2.gz DHAUXJGGHRTTLX-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN CC(C)C[C@@]1(C)CCC[N@@H+]1Cc1cccc(F)c1[O-] ZINC001205907543 1133629124 /nfs/dbraw/zinc/62/91/24/1133629124.db2.gz JIRVPALTTRJGTP-MRXNPFEDSA-N 0 0 265.372 3.932 20 10 CHCDRN COc1ccc(N(C)C[C@@H]2CCc3ccccc32)cc1 ZINC001206553378 1133717225 /nfs/dbraw/zinc/71/72/25/1133717225.db2.gz VNRYQCICHSMLRD-HNNXBMFYSA-N 0 0 267.372 3.861 20 10 CHCDRN [O-]c1cccc(F)c1C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001207623889 1133831828 /nfs/dbraw/zinc/83/18/28/1133831828.db2.gz YPMRXRMSQOFLMQ-MGPQQGTHSA-N 0 0 277.383 3.980 20 10 CHCDRN Oc1cc(Cl)ccc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC001207744375 1133843631 /nfs/dbraw/zinc/84/36/31/1133843631.db2.gz DQFWJZPVJDXMRE-INIZCTEOSA-N 0 0 288.778 3.682 20 10 CHCDRN Cc1ccc(CN[C@@H](c2ccccc2)C(F)F)c(O)c1 ZINC001207872249 1133857484 /nfs/dbraw/zinc/85/74/84/1133857484.db2.gz AKJRDLLGFOZBIA-HNNXBMFYSA-N 0 0 277.314 3.797 20 10 CHCDRN Fc1ccc(Nc2ccc3c(c2)OCCN3)c(F)c1 ZINC001209728239 1134054592 /nfs/dbraw/zinc/05/45/92/1134054592.db2.gz OCQYGVHMBHWKQB-UHFFFAOYSA-N 0 0 262.259 3.513 20 10 CHCDRN FC(F)Oc1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209726912 1134056009 /nfs/dbraw/zinc/05/60/09/1134056009.db2.gz FBWWICASAJRCNR-UHFFFAOYSA-N 0 0 292.285 3.836 20 10 CHCDRN FC(F)Oc1cccc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209767071 1134060854 /nfs/dbraw/zinc/06/08/54/1134060854.db2.gz JDGFKEQMPWNLJQ-UHFFFAOYSA-N 0 0 292.285 3.836 20 10 CHCDRN C=Cc1cccc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209788165 1134064461 /nfs/dbraw/zinc/06/44/61/1134064461.db2.gz GEEOHOWIAODYNH-UHFFFAOYSA-N 0 0 252.317 3.878 20 10 CHCDRN CCC(=O)c1ccccc1Nc1ccc2c(c1)OCCN2 ZINC001209789432 1134064490 /nfs/dbraw/zinc/06/44/90/1134064490.db2.gz PRKQCVCBPCBZEE-UHFFFAOYSA-N 0 0 282.343 3.827 20 10 CHCDRN Cc1c(F)ccc(Nc2ccc3c(c2)OCCN3)c1F ZINC001209788647 1134064950 /nfs/dbraw/zinc/06/49/50/1134064950.db2.gz PBLJGXXAPZCXJI-UHFFFAOYSA-N 0 0 276.286 3.821 20 10 CHCDRN CCCOc1ccc(N(C)c2ccc(N)cc2)cc1 ZINC001209867700 1134090343 /nfs/dbraw/zinc/09/03/43/1134090343.db2.gz RSWWYEODANSCSV-UHFFFAOYSA-N 0 0 256.349 3.826 20 10 CHCDRN Oc1cc(F)ccc1Nc1ccnc2ccc(Cl)cc21 ZINC001210014937 1134122923 /nfs/dbraw/zinc/12/29/23/1134122923.db2.gz RAIKDLCWSNDCBO-UHFFFAOYSA-N 0 0 288.709 3.898 20 10 CHCDRN Nc1ccc(N(Cc2ccccc2)c2cncc(N)c2)cc1 ZINC001210441184 1134214648 /nfs/dbraw/zinc/21/46/48/1134214648.db2.gz HRZSIPGFHVDILQ-UHFFFAOYSA-N 0 0 290.370 3.584 20 10 CHCDRN Cc1cc(C2CC2)ccc1N(CCO)c1ccc(N)cc1 ZINC001213864407 1134491868 /nfs/dbraw/zinc/49/18/68/1134491868.db2.gz HTUZZVVTUPGBGH-UHFFFAOYSA-N 0 0 282.387 3.585 20 10 CHCDRN CCCc1ccc(NC(=O)NCc2cc(C)ccc2O)cc1 ZINC001214335235 1134530582 /nfs/dbraw/zinc/53/05/82/1134530582.db2.gz PJJVIUJPHROHHJ-UHFFFAOYSA-N 0 0 298.386 3.975 20 10 CHCDRN CCCOc1ccc(F)c(Nc2cccc(O)c2O)c1F ZINC001215568018 1134643150 /nfs/dbraw/zinc/64/31/50/1134643150.db2.gz BQBMBJRTEBZMCP-UHFFFAOYSA-N 0 0 295.285 3.908 20 10 CHCDRN Cc1ccc(Nc2cccc(O)c2O)c(OC(C)C)c1 ZINC001215878620 1134712960 /nfs/dbraw/zinc/71/29/60/1134712960.db2.gz CRKXEEGQUZZIAQ-UHFFFAOYSA-N 0 0 273.332 3.937 20 10 CHCDRN CN(c1cc2c(cccc2F)o1)c1ccc(N)cc1 ZINC001216293119 1134838845 /nfs/dbraw/zinc/83/88/45/1134838845.db2.gz QIGFRNVGPURYMX-UHFFFAOYSA-N 0 0 256.280 3.922 20 10 CHCDRN O=C1c2ccccc2-c2cccc(NC3=CCCOC3)c21 ZINC001216509671 1134912680 /nfs/dbraw/zinc/91/26/80/1134912680.db2.gz BHIFTIFYKIONDU-UHFFFAOYSA-N 0 0 277.323 3.614 20 10 CHCDRN O=C1C=CC(=NNc2ccc(OC[C@H]3C[C@H](O)C3)cc2)C=C1 ZINC001218431585 1135104806 /nfs/dbraw/zinc/10/48/06/1135104806.db2.gz XTXAZVXANLZQLO-YGUOUDRMSA-N 0 0 298.342 3.957 20 10 CHCDRN Cc1[nH]c2c(cccc2NC(=O)Cc2ccc(N)cc2)c1C ZINC001219341435 1135130377 /nfs/dbraw/zinc/13/03/77/1135130377.db2.gz LESAGIFQISQZNR-UHFFFAOYSA-N 0 0 293.370 3.548 20 10 CHCDRN [O-]c1c(F)cccc1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000317559121 1135173988 /nfs/dbraw/zinc/17/39/88/1135173988.db2.gz VAHAUPYHBUWJBJ-UHFFFAOYSA-N 0 0 299.389 3.986 20 10 CHCDRN O=C1C=CC(=NNc2ccccn2)C(O[C@H]2CCCOC2)=C1 ZINC001227489730 1135839920 /nfs/dbraw/zinc/83/99/20/1135839920.db2.gz PKABNAYETGHOPJ-HVCBDAARSA-N 0 0 299.330 3.760 20 10 CHCDRN CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185437236 262053789 /nfs/dbraw/zinc/05/37/89/262053789.db2.gz BKTXMVWCDGHBNE-IUCAKERBSA-N 0 0 292.206 3.511 20 10 CHCDRN CCN(CC)c1ccc(Nc2ccc(N)cc2)cc1 ZINC000006869842 170251432 /nfs/dbraw/zinc/25/14/32/170251432.db2.gz DVESTULVTKYRRZ-UHFFFAOYSA-N 0 0 255.365 3.859 20 10 CHCDRN CC(=O)Nc1ccc(N[C@H](C)c2ccccc2O)cc1 ZINC000019885845 170909789 /nfs/dbraw/zinc/90/97/89/170909789.db2.gz GIXBMNPXPVOAHY-LLVKDONJSA-N 0 0 270.332 3.524 20 10 CHCDRN Cc1ccc(OCCCC(=O)Nc2ccc(N)cc2)cc1C ZINC000022174156 171369544 /nfs/dbraw/zinc/36/95/44/171369544.db2.gz LFSZGEBPGJYNON-UHFFFAOYSA-N 0 0 298.386 3.683 20 10 CHCDRN Cc1ccnc(N2CC=C(c3c[nH]c4ncccc34)CC2)c1 ZINC000347700178 226239419 /nfs/dbraw/zinc/23/94/19/226239419.db2.gz BFDSVTRYGWPEGC-UHFFFAOYSA-N 0 0 290.370 3.560 20 10 CHCDRN C[C@H](Nc1cccc(N2CCCC2=O)c1)c1ccccc1O ZINC000192937009 227398043 /nfs/dbraw/zinc/39/80/43/227398043.db2.gz CMIKVVUFBGOTRW-ZDUSSCGKSA-N 0 0 296.370 3.692 20 10 CHCDRN CCc1cnc(CN[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000130470986 260397106 /nfs/dbraw/zinc/39/71/06/260397106.db2.gz OMPOKYOLWVFVKU-GFCCVEGCSA-N 0 0 289.448 3.622 20 10 CHCDRN CC(C)N1CC[C@@H](Sc2ncc(C(C)(C)C)s2)C1=O ZINC000164098769 261339853 /nfs/dbraw/zinc/33/98/53/261339853.db2.gz HWAGBECOOACMJZ-SNVBAGLBSA-N 0 0 298.477 3.542 20 10 CHCDRN Cc1cc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])ccc1F ZINC000184911702 262033480 /nfs/dbraw/zinc/03/34/80/262033480.db2.gz OBMDVRLZZIWLQC-NSHDSACASA-N 0 0 277.314 3.830 20 10 CHCDRN C[C@H]([NH2+]Cc1ccoc1)c1cc2c(cc1O)CCCC2 ZINC000185106755 262041896 /nfs/dbraw/zinc/04/18/96/262041896.db2.gz HPFLVAXMGADEBL-LBPRGKRZSA-N 0 0 271.360 3.715 20 10 CHCDRN CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185389999 262052997 /nfs/dbraw/zinc/05/29/97/262052997.db2.gz MHQIJMWDLDTVLM-OQPBUACISA-N 0 0 292.206 3.511 20 10 CHCDRN COc1cc(C)cc(NCc2cccc(OC)c2O)c1C ZINC000278815969 263051207 /nfs/dbraw/zinc/05/12/07/263051207.db2.gz SVNYCYMXOHHBQZ-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN CC[C@H]([NH2+]CCc1cccnc1)c1cccc(Cl)c1[O-] ZINC000287854383 263102912 /nfs/dbraw/zinc/10/29/12/263102912.db2.gz WZRNUVKWAHNMQE-HNNXBMFYSA-N 0 0 290.794 3.724 20 10 CHCDRN CC[C@H]([NH2+]CCC1(OC)CCC1)c1ccc(F)cc1[O-] ZINC000293860838 263151254 /nfs/dbraw/zinc/15/12/54/263151254.db2.gz YZVJKPSGJSLTNS-AWEZNQCLSA-N 0 0 281.371 3.531 20 10 CHCDRN CC(=O)OCCCc1cccc(NCc2ccccc2O)c1 ZINC000188532497 327864634 /nfs/dbraw/zinc/86/46/34/327864634.db2.gz GMIWJHIKCUUWMY-UHFFFAOYSA-N 0 0 299.370 3.500 20 10 CHCDRN CCCC[C@@H](C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000409970812 327171321 /nfs/dbraw/zinc/17/13/21/327171321.db2.gz LPEVCWSCXQYOTQ-CYBMUJFWSA-N 0 0 286.419 3.929 20 10 CHCDRN C[C@H](Nc1cnn(-c2ccccc2F)c1)c1ccccc1O ZINC000183667454 329251685 /nfs/dbraw/zinc/25/16/85/329251685.db2.gz GNFFAVVTPMDWJZ-LBPRGKRZSA-N 0 0 297.333 3.890 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)C1CCC1 ZINC000457767447 331233765 /nfs/dbraw/zinc/23/37/65/331233765.db2.gz PTTNGKLFOFJGQJ-GFCCVEGCSA-N 0 0 284.403 3.539 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C12CCC(CC1)C2 ZINC000471242757 331504749 /nfs/dbraw/zinc/50/47/49/331504749.db2.gz KOPLSIRPMTVWIA-UHFFFAOYSA-N 0 0 296.414 3.683 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCCC[C@H]1C ZINC000472239994 331533247 /nfs/dbraw/zinc/53/32/47/331533247.db2.gz JMTFMSAJFDEQCL-CYBMUJFWSA-N 0 0 299.418 3.571 20 10 CHCDRN Cc1c2ccccc2n(C)c1CN[C@H](C)c1cscn1 ZINC000530413101 333546695 /nfs/dbraw/zinc/54/66/95/333546695.db2.gz FXTGJEWJOXCYCL-GFCCVEGCSA-N 0 0 285.416 3.794 20 10 CHCDRN Cc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)c(F)c1 ZINC000267219694 334695737 /nfs/dbraw/zinc/69/57/37/334695737.db2.gz VTROXVMUHJRAPL-UHFFFAOYSA-N 0 0 298.361 3.987 20 10 CHCDRN CC(=O)C(=O)CS[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000289766946 519357999 /nfs/dbraw/zinc/35/79/99/519357999.db2.gz VXUKKKQKEWFCQR-QMMMGPOBSA-N 0 0 291.199 3.946 20 10 CHCDRN CC(C)CCN(CCC(C)C)C(=O)Cc1ccc(N)cc1 ZINC000037804671 519651772 /nfs/dbraw/zinc/65/17/72/519651772.db2.gz KGGRLEJLUAJEEW-UHFFFAOYSA-N 0 0 290.451 3.732 20 10 CHCDRN CC(=O)Nc1cc(NCc2ccc(N(C)C)cc2)ccc1C ZINC000078996306 519707066 /nfs/dbraw/zinc/70/70/66/519707066.db2.gz TVYZNNZNOBGUQA-UHFFFAOYSA-N 0 0 297.402 3.632 20 10 CHCDRN CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CCO1 ZINC000276969830 519805872 /nfs/dbraw/zinc/80/58/72/519805872.db2.gz UCOUOJVHRWYDKP-WDMOLILDSA-N 0 0 299.361 3.525 20 10 CHCDRN CC(C)c1noc([C@H](C)Sc2nccs2)n1 ZINC000064660119 519911173 /nfs/dbraw/zinc/91/11/73/519911173.db2.gz FJHFHPIGSFDABM-ZETCQYMHSA-N 0 0 255.368 3.503 20 10 CHCDRN CC(C)n1ncnc1CSc1ncc(C(C)(C)C)s1 ZINC000278707818 520139377 /nfs/dbraw/zinc/13/93/77/520139377.db2.gz NUFDGZKPFHRAGF-UHFFFAOYSA-N 0 0 296.465 3.905 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)C=C1CCC1 ZINC000282385769 520546355 /nfs/dbraw/zinc/54/63/55/520546355.db2.gz DBRYNDVGONUUPE-UHFFFAOYSA-N 0 0 273.376 3.631 20 10 CHCDRN CCOc1ccc(N(CC)Cc2nccn2C(F)F)cc1 ZINC000299396243 521029154 /nfs/dbraw/zinc/02/91/54/521029154.db2.gz KUWVHCQDIWSHPQ-UHFFFAOYSA-N 0 0 295.333 3.703 20 10 CHCDRN CCC[C@](C)(CC)C(=O)N(C)Cc1ccccc1O ZINC000279951975 521262448 /nfs/dbraw/zinc/26/24/48/521262448.db2.gz PBRIONGFPDJDBJ-INIZCTEOSA-N 0 0 263.381 3.567 20 10 CHCDRN CCOC1CC(CC[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000276662050 521647264 /nfs/dbraw/zinc/64/72/64/521647264.db2.gz QYRNLOXZGJUEKT-VOMCLLRMSA-N 0 0 299.361 3.526 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)CCC(C)C ZINC000299612721 521687113 /nfs/dbraw/zinc/68/71/13/521687113.db2.gz HOWLLILKCFVEJR-UHFFFAOYSA-N 0 0 263.381 3.567 20 10 CHCDRN CCNC(=O)c1ccc(C)c(N[C@H](C)c2ccccc2O)c1 ZINC000192827521 521747532 /nfs/dbraw/zinc/74/75/32/521747532.db2.gz AUDGCPZLBXPWLI-CYBMUJFWSA-N 0 0 298.386 3.623 20 10 CHCDRN CCc1cnc(CN(C)Cc2cc(C)c(C)cc2O)s1 ZINC000083115038 522019985 /nfs/dbraw/zinc/01/99/85/522019985.db2.gz XOALRSWBAQPBCT-UHFFFAOYSA-N 0 0 290.432 3.660 20 10 CHCDRN COc1ccc(F)cc1N[C@H]1CCc2cccc(O)c21 ZINC000296766574 524326267 /nfs/dbraw/zinc/32/62/67/524326267.db2.gz KJHUVZDUTDPHRA-LBPRGKRZSA-N 0 0 273.307 3.639 20 10 CHCDRN C[C@@H](CC(=O)NCCc1ccc(N)cc1)C1CCCCC1 ZINC000237446664 524372269 /nfs/dbraw/zinc/37/22/69/524372269.db2.gz WNLBSKPNFKTGTH-AWEZNQCLSA-N 0 0 288.435 3.534 20 10 CHCDRN C[C@@H](CCc1ccco1)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276149365 524546159 /nfs/dbraw/zinc/54/61/59/524546159.db2.gz DRQAMVBYUXHYSZ-QWRGUYRKSA-N 0 0 295.329 3.935 20 10 CHCDRN C[C@@H]([NH2+]CC(C)(C)c1ccccn1)c1ccc(F)cc1[O-] ZINC000297394007 525416683 /nfs/dbraw/zinc/41/66/83/525416683.db2.gz RZOKPPVYHAWOKN-GFCCVEGCSA-N 0 0 288.366 3.555 20 10 CHCDRN C[C@@H]([NH2+]Cc1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000062745491 525534166 /nfs/dbraw/zinc/53/41/66/525534166.db2.gz VQBABVCXCWGDSZ-SNVBAGLBSA-N 0 0 263.287 3.521 20 10 CHCDRN CSC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000076769245 525632284 /nfs/dbraw/zinc/63/22/84/525632284.db2.gz ZUQHHNPRUQRZGT-SSDOTTSWSA-N 0 0 280.220 3.540 20 10 CHCDRN C[C@H](Nc1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000037298461 525672156 /nfs/dbraw/zinc/67/21/56/525672156.db2.gz YKFLEURNPWUJGN-LBPRGKRZSA-N 0 0 285.347 3.834 20 10 CHCDRN C[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000278924386 525758630 /nfs/dbraw/zinc/75/86/30/525758630.db2.gz WWTYFEIBTWCWDG-BDAKNGLRSA-N 0 0 292.206 3.511 20 10 CHCDRN C[C@H](O)c1cc(NCc2ccc(N(C)C)cc2)ccc1F ZINC000285588648 525852650 /nfs/dbraw/zinc/85/26/50/525852650.db2.gz VVBROZJHGKAKPC-LBPRGKRZSA-N 0 0 288.366 3.557 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278315979 526325831 /nfs/dbraw/zinc/32/58/31/526325831.db2.gz FRVAUSCVHVHZCA-VIFPVBQESA-N 0 0 293.716 3.820 20 10 CHCDRN CC[N@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)C1CCC1 ZINC000737101502 600418107 /nfs/dbraw/zinc/41/81/07/600418107.db2.gz AIXGCMPKDBBILA-UHFFFAOYSA-N 0 0 299.370 3.618 20 10 CHCDRN C[C@@H](C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)c1ccccc1 ZINC001592706944 979181384 /nfs/dbraw/zinc/18/13/84/979181384.db2.gz OXYMNVWPWSBZEV-QWHCGFSZSA-N 0 0 299.370 3.545 20 10 CHCDRN C[C@H](NC(=O)Nc1cc(F)ccc1F)c1ccccc1O ZINC001202661890 1125493319 /nfs/dbraw/zinc/49/33/19/1125493319.db2.gz XLMFHZHQDXDHSA-VIFPVBQESA-N 0 0 292.285 3.553 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)c1ccccc1 ZINC001597349454 987485773 /nfs/dbraw/zinc/48/57/73/987485773.db2.gz JRHSSVBCNGXPLN-WBMJQRKESA-N 0 0 299.370 3.892 20 10 CHCDRN C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1cc(F)cc(F)c1[O-] ZINC000850536170 1123287428 /nfs/dbraw/zinc/28/74/28/1123287428.db2.gz HVNAEPABKKGXRC-AMIZOPFISA-N 0 0 291.288 3.756 20 10 CHCDRN COc1cccc([C@H](C)NCC(F)(F)C(C)(C)C)c1O ZINC000850572695 1123294899 /nfs/dbraw/zinc/29/48/99/1123294899.db2.gz NYNWRZQDUFZKPX-JTQLQIEISA-N 0 0 287.350 3.733 20 10 CHCDRN Cc1ncc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])s1 ZINC000866455389 1124067922 /nfs/dbraw/zinc/06/79/22/1124067922.db2.gz LDLCEKRXFWNIDB-IUCAKERBSA-N 0 0 280.368 3.708 20 10 CHCDRN CCCn1cc(N[C@@H](C)c2ccc(Cl)cc2O)cn1 ZINC000841750146 1132389115 /nfs/dbraw/zinc/38/91/15/1132389115.db2.gz MFNPINHWAJYNRT-JTQLQIEISA-N 0 0 279.771 3.825 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(Cl)cc1[O-] ZINC000841755643 1132392365 /nfs/dbraw/zinc/39/23/65/1132392365.db2.gz QNUSSZUZCVDYSK-KOLCDFICSA-N 0 0 271.813 3.592 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCCS1)c1ccc(Cl)cc1[O-] ZINC000841761581 1132396492 /nfs/dbraw/zinc/39/64/92/1132396492.db2.gz YNZZWDBLYBOWNS-ONGXEEELSA-N 0 0 271.813 3.592 20 10 CHCDRN CC(C)(C)C1CC[NH+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233331706 1132603407 /nfs/dbraw/zinc/60/34/07/1132603407.db2.gz HRBSNGUSWRIXJD-UHFFFAOYSA-N 0 0 283.362 3.929 20 10 CHCDRN COC(C)(C)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000404299009 1134944425 /nfs/dbraw/zinc/94/44/25/1134944425.db2.gz GRAXBRYEYKAUSC-UHFFFAOYSA-N 0 0 292.206 3.556 20 10 CHCDRN CC1(C)CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000133932302 1125510640 /nfs/dbraw/zinc/51/06/40/1125510640.db2.gz RNMGLJOCZPUPMX-UHFFFAOYSA-N 0 0 298.224 3.777 20 10 CHCDRN Cc1cccc(NC(=O)N[C@H](C)c2ccccc2O)c1C ZINC001202708738 1125526630 /nfs/dbraw/zinc/52/66/30/1125526630.db2.gz ORWIJMOIVJRJCD-CYBMUJFWSA-N 0 0 284.359 3.892 20 10 CHCDRN C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841757141 1125596688 /nfs/dbraw/zinc/59/66/88/1125596688.db2.gz FBGDOQRBEMRFLQ-QWRGUYRKSA-N 0 0 283.799 3.511 20 10 CHCDRN Cc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886489516 1125680366 /nfs/dbraw/zinc/68/03/66/1125680366.db2.gz KPLRVXBFPZDWMT-GFCCVEGCSA-N 0 0 259.324 3.691 20 10 CHCDRN Cc1ccsc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886512668 1125683313 /nfs/dbraw/zinc/68/33/13/1125683313.db2.gz KTYQAKFMEINFDO-SNVBAGLBSA-N 0 0 265.353 3.752 20 10 CHCDRN COc1ccc(C)cc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886543014 1125686493 /nfs/dbraw/zinc/68/64/93/1125686493.db2.gz JLNWCAJSJKWHKP-LBPRGKRZSA-N 0 0 289.350 3.699 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1c([O-])cccc1F ZINC000886551466 1125690429 /nfs/dbraw/zinc/69/04/29/1125690429.db2.gz IKGHQKDAMHRTTG-QWHCGFSZSA-N 0 0 293.382 3.674 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1c([O-])cccc1F ZINC000886558705 1125690454 /nfs/dbraw/zinc/69/04/54/1125690454.db2.gz QFOTUYYSMUSEEW-YWPYICTPSA-N 0 0 295.398 3.776 20 10 CHCDRN COc1ccc(N[C@@H](C)c2c(O)cccc2F)cc1OC ZINC000886564239 1125691413 /nfs/dbraw/zinc/69/14/13/1125691413.db2.gz QPWWPESEGNGXCX-JTQLQIEISA-N 0 0 291.322 3.722 20 10 CHCDRN COc1ccc(N[C@H](C)c2c(O)cccc2F)c(OC)c1 ZINC000886564455 1125691871 /nfs/dbraw/zinc/69/18/71/1125691871.db2.gz XOGQXVVLCPSIDF-SNVBAGLBSA-N 0 0 291.322 3.722 20 10 CHCDRN C[C@@H](N[C@@H](C)c1c(O)cccc1F)c1c(F)cncc1F ZINC000886609356 1125697024 /nfs/dbraw/zinc/69/70/24/1125697024.db2.gz REKCNZVCPNNRFZ-BDAKNGLRSA-N 0 0 296.292 3.616 20 10 CHCDRN C[C@H]([NH2+]CC[C@@]1(C)C[C@@]1(F)Cl)c1c([O-])cccc1F ZINC000886630996 1125701394 /nfs/dbraw/zinc/70/13/94/1125701394.db2.gz ABOBZWFZCRZGIM-HERUPUMHSA-N 0 0 289.753 3.887 20 10 CHCDRN CC(C)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(N)cc1 ZINC000886961696 1125727177 /nfs/dbraw/zinc/72/71/77/1125727177.db2.gz WICAESPVLXGTNL-QGZVFWFLSA-N 0 0 297.402 3.658 20 10 CHCDRN CO[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)C1CC1 ZINC000293669348 1129179038 /nfs/dbraw/zinc/17/90/38/1129179038.db2.gz JHJVEAVNCJPFHE-YVEFUNNKSA-N 0 0 285.387 3.621 20 10 CHCDRN Cc1cc(-c2nnc3n2CCCC3)c(C)n1-c1ccccc1 ZINC000103225989 1126759376 /nfs/dbraw/zinc/75/93/76/1126759376.db2.gz PQWSFDQFDHGRBV-UHFFFAOYSA-N 0 0 292.386 3.689 20 10 CHCDRN C[C@H]1CCSCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000792195654 1130437671 /nfs/dbraw/zinc/43/76/71/1130437671.db2.gz DAVBTBJADVIASK-VIFPVBQESA-N 0 0 289.803 3.512 20 10 CHCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCC1(F)F ZINC000811512062 1130618362 /nfs/dbraw/zinc/61/83/62/1130618362.db2.gz DEDLIHPAQBUHJE-MRVPVSSYSA-N 0 0 293.716 3.662 20 10 CHCDRN CCCc1ccccc1NCc1cc2c(cc1O)OCO2 ZINC000042879878 1126837188 /nfs/dbraw/zinc/83/71/88/1126837188.db2.gz UOGNEKGGCVUHBX-UHFFFAOYSA-N 0 0 285.343 3.686 20 10 CHCDRN C[C@@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1O ZINC000183660704 1126889370 /nfs/dbraw/zinc/88/93/70/1126889370.db2.gz VDXPUVUJSOKSFM-CZUORRHYSA-N 0 0 299.370 3.733 20 10 CHCDRN Cc1cc(O)c(CNc2nnc(C3CCC3)o2)c(Cl)c1 ZINC000905429881 1126901862 /nfs/dbraw/zinc/90/18/62/1126901862.db2.gz ZHVJOUHVAFVAHL-UHFFFAOYSA-N 0 0 293.754 3.617 20 10 CHCDRN CSCC[C@H](C)[N@H+](C)Cc1c(O)cccc1Cl ZINC000129018909 1126917192 /nfs/dbraw/zinc/91/71/92/1126917192.db2.gz NDCPGIXPRUFLKG-JTQLQIEISA-N 0 0 273.829 3.619 20 10 CHCDRN Cc1nc([C@H]2CCC[N@@H+]2Cc2cccc(C)c2O)cs1 ZINC000189918607 1126935880 /nfs/dbraw/zinc/93/58/80/1126935880.db2.gz YVEATUNHHWHHQC-OAHLLOKOSA-N 0 0 288.416 3.803 20 10 CHCDRN Cc1cccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000191191171 1126948711 /nfs/dbraw/zinc/94/87/11/1126948711.db2.gz CXBSAQUFUOKNJE-LLVKDONJSA-N 0 0 277.314 3.830 20 10 CHCDRN 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CCC[C@@H](C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000916502224 1128422163 /nfs/dbraw/zinc/42/21/63/1128422163.db2.gz GIWNJQOLZDIULX-CQSZACIVSA-N 0 0 276.424 3.585 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324701863 1128460180 /nfs/dbraw/zinc/46/01/80/1128460180.db2.gz UPMAZHFTFGGFIB-CQSZACIVSA-N 0 0 265.784 3.714 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)CCC1(C)CC1 ZINC000934706302 1128467675 /nfs/dbraw/zinc/46/76/75/1128467675.db2.gz HXSJEPXXQVGZKH-UHFFFAOYSA-N 0 0 275.392 3.711 20 10 CHCDRN CC(C)(C)c1cnc(SCc2nncs2)s1 ZINC000917218476 1128490614 /nfs/dbraw/zinc/49/06/14/1128490614.db2.gz UWZRJQLOHYZJFJ-UHFFFAOYSA-N 0 0 271.436 3.584 20 10 CHCDRN CC(C)=C[C@@H]1[C@H](C(=O)N(C)Cc2ccccc2O)C1(C)C ZINC000917310045 1128493546 /nfs/dbraw/zinc/49/35/46/1128493546.db2.gz HSZHUHZLSQRJFE-GDBMZVCRSA-N 0 0 287.403 3.589 20 10 CHCDRN CC(C)Oc1cc(F)c(F)cc1Nc1cccc(O)c1O ZINC001212227267 1128497038 /nfs/dbraw/zinc/49/70/38/1128497038.db2.gz APNBFBPZXKAKEA-UHFFFAOYSA-N 0 0 295.285 3.907 20 10 CHCDRN Clc1cnc(SC2CCSCC2)s1 ZINC000918095394 1128533317 /nfs/dbraw/zinc/53/33/17/1128533317.db2.gz JIGSVVVXKNUIKO-UHFFFAOYSA-N 0 0 251.829 3.784 20 10 CHCDRN Cc1cc(O)c(CNc2ccc(-n3ccnc3)cc2)cc1C ZINC000155941317 1128620050 /nfs/dbraw/zinc/62/00/50/1128620050.db2.gz DEIWKGRUORVTQJ-UHFFFAOYSA-N 0 0 293.370 3.807 20 10 CHCDRN FC(F)Oc1ccc2c(c1)CCCN2C[C@@H]1CCCCO1 ZINC000919804864 1128631653 /nfs/dbraw/zinc/63/16/53/1128631653.db2.gz OIWAUOJWSOBNLF-AWEZNQCLSA-N 0 0 297.345 3.610 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]CCc1cc(F)cc(F)c1 ZINC000158131267 1128663877 /nfs/dbraw/zinc/66/38/77/1128663877.db2.gz NOJNKNSAOLJTHE-UHFFFAOYSA-N 0 0 297.732 3.656 20 10 CHCDRN Oc1c(Cl)cccc1CN1CCCOc2ccccc21 ZINC000158873072 1128672271 /nfs/dbraw/zinc/67/22/71/1128672271.db2.gz VFUJWODTJRJVAP-UHFFFAOYSA-N 0 0 289.762 3.835 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)Nc1ccccc1Cl ZINC000047323029 1128669344 /nfs/dbraw/zinc/66/93/44/1128669344.db2.gz RWXOREPXUDTMCT-UHFFFAOYSA-N 0 0 290.750 3.710 20 10 CHCDRN Cc1cc(C(=O)N2CC=CCC2)c(C)n1-c1cccc(C)c1 ZINC000778988279 1128673657 /nfs/dbraw/zinc/67/36/57/1128673657.db2.gz FFPKIYKMYDXAKI-UHFFFAOYSA-N 0 0 294.398 3.805 20 10 CHCDRN C[C@@H]1CCCC[C@H]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000920431403 1128683533 /nfs/dbraw/zinc/68/35/33/1128683533.db2.gz YCUMVGZBWBGMEX-ZBFHGGJFSA-N 0 0 288.435 3.585 20 10 CHCDRN COc1cccc(N[C@@H](C)c2ccccc2O)c1F ZINC000690044671 1128724460 /nfs/dbraw/zinc/72/44/60/1128724460.db2.gz DFXAVBWMVUUSED-JTQLQIEISA-N 0 0 261.296 3.713 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CC12CCCC2 ZINC000763458454 1128731978 /nfs/dbraw/zinc/73/19/78/1128731978.db2.gz QBWOFPMJBWXVCG-GFCCVEGCSA-N 0 0 269.747 3.607 20 10 CHCDRN Clc1cccc(OCCSc2nccs2)c1 ZINC000064660140 1128731998 /nfs/dbraw/zinc/73/19/98/1128731998.db2.gz DIGMJQBQYRTBQT-UHFFFAOYSA-N 0 0 271.794 3.968 20 10 CHCDRN CC1(C)Cc2cc(NCc3cc(F)ccc3O)ccc2O1 ZINC000779122799 1128739700 /nfs/dbraw/zinc/73/97/00/1128739700.db2.gz LCMXAHNYPVKHSO-UHFFFAOYSA-N 0 0 287.334 3.857 20 10 CHCDRN C[C@@H](Nc1ccc(N(C)C)cc1)c1ccccc1O ZINC000036335464 1117913902 /nfs/dbraw/zinc/91/39/02/1117913902.db2.gz WBMVDOSTLCNUPV-GFCCVEGCSA-N 0 0 256.349 3.631 20 10 CHCDRN CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000160255490 1117915327 /nfs/dbraw/zinc/91/53/27/1117915327.db2.gz ANGURZJKIGRXPK-ZYHUDNBSSA-N 0 0 253.773 3.809 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000471228200 1118000521 /nfs/dbraw/zinc/00/05/21/1118000521.db2.gz SJPFRUPPEPSVFW-HIFRSBDPSA-N 0 0 298.430 3.929 20 10 CHCDRN CC[C@@H](C)[C@@H](C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000471242412 1118021247 /nfs/dbraw/zinc/02/12/47/1118021247.db2.gz IRHDHSOYTZKPGT-CHWSQXEVSA-N 0 0 286.419 3.785 20 10 CHCDRN Cc1ccc(Nc2ccc3c(c2)OCCN3)c(F)c1 ZINC001209728266 1118088803 /nfs/dbraw/zinc/08/88/03/1118088803.db2.gz PAAQUOJWJXJEHH-UHFFFAOYSA-N 0 0 258.296 3.682 20 10 CHCDRN CCOc1ccc(Nc2cccc(O)c2O)c(Cl)c1 ZINC001209895841 1118105111 /nfs/dbraw/zinc/10/51/11/1118105111.db2.gz YWYRFKFYEPUIAU-UHFFFAOYSA-N 0 0 279.723 3.894 20 10 CHCDRN C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CC(C)(C)O1 ZINC000068462366 1118174253 /nfs/dbraw/zinc/17/42/53/1118174253.db2.gz FPWFSFMGJVHHCU-ZDUSSCGKSA-N 0 0 285.387 3.545 20 10 CHCDRN O=C(/C=C/c1cncc(F)c1)N1CCC=Cc2ccccc21 ZINC000188240662 1128761222 /nfs/dbraw/zinc/76/12/22/1128761222.db2.gz YGFKNEAQOSYIAE-CMDGGOBGSA-N 0 0 294.329 3.684 20 10 CHCDRN Cc1cc(C)c(C)c(OCCC(=O)Nc2ccc(N)cc2)c1 ZINC000237809157 1128761344 /nfs/dbraw/zinc/76/13/44/1128761344.db2.gz KMSYOKYPCASLAM-UHFFFAOYSA-N 0 0 298.386 3.602 20 10 CHCDRN Cc1ccc(CN2CCOc3cc(N(C)C)ccc32)s1 ZINC000765659381 1118187624 /nfs/dbraw/zinc/18/76/24/1118187624.db2.gz YOBGNPAYIGJQQB-UHFFFAOYSA-N 0 0 288.416 3.522 20 10 CHCDRN CC(C)[C@@H]1CCCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000079357366 1118305963 /nfs/dbraw/zinc/30/59/63/1118305963.db2.gz KVYMRLGAGSENKR-CYBMUJFWSA-N 0 0 275.396 3.559 20 10 CHCDRN Cc1nc(CSc2ncc(-c3ccccc3)n2C)oc1C ZINC000060534436 1118382323 /nfs/dbraw/zinc/38/23/23/1118382323.db2.gz ZOZQFBNKBWBYGW-UHFFFAOYSA-N 0 0 299.399 3.984 20 10 CHCDRN CCCNC(=O)Nc1c(C)cc(Br)cc1C ZINC000048466791 1118417100 /nfs/dbraw/zinc/41/71/00/1118417100.db2.gz JKPGDSLOHRUAJJ-UHFFFAOYSA-N 0 0 285.185 3.597 20 10 CHCDRN CCN(C(=O)/C=C\c1cnc(C)s1)c1ccccc1 ZINC000255354850 1118661942 /nfs/dbraw/zinc/66/19/42/1118661942.db2.gz JHAWPYCQBNTREK-KTKRTIGZSA-N 0 0 272.373 3.518 20 10 CHCDRN COc1cc(N(C)C[C@@H]2CC=CCC2)cc(OC)c1OC ZINC000180758414 1128805242 /nfs/dbraw/zinc/80/52/42/1128805242.db2.gz MCSJCVXSQLMFIG-CYBMUJFWSA-N 0 0 291.391 3.505 20 10 CHCDRN CCN(C(=O)/C=C\c1scnc1C)c1ccccc1 ZINC000588516814 1119061484 /nfs/dbraw/zinc/06/14/84/1119061484.db2.gz FDNGMWUVTOEICA-KTKRTIGZSA-N 0 0 272.373 3.518 20 10 CHCDRN CCC(CC)[N@H+](CC)Cc1c([O-])cc(F)cc1F ZINC001140584596 1119160804 /nfs/dbraw/zinc/16/08/04/1119160804.db2.gz YDILPTKVSPIYBL-UHFFFAOYSA-N 0 0 257.324 3.681 20 10 CHCDRN C[C@H](CCCO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192949834 1119341034 /nfs/dbraw/zinc/34/10/34/1119341034.db2.gz CDZDJEMBHRJCLQ-BDAKNGLRSA-N 0 0 292.206 3.511 20 10 CHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccco1 ZINC000052396834 1119369880 /nfs/dbraw/zinc/36/98/80/1119369880.db2.gz HDKPIENPAZWSDN-UHFFFAOYSA-N 0 0 298.386 3.542 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)C/C=C/c1cccc(F)c1 ZINC000176831106 1119508147 /nfs/dbraw/zinc/50/81/47/1119508147.db2.gz HDQZHFUHJMWZAK-FNORWQNLSA-N 0 0 299.345 3.593 20 10 CHCDRN Cc1ccnc(CSc2ncc(C(C)(C)C)s2)n1 ZINC000755840673 1119817274 /nfs/dbraw/zinc/81/72/74/1119817274.db2.gz KRFPJJKLBJHTSD-UHFFFAOYSA-N 0 0 279.434 3.831 20 10 CHCDRN CCSCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000309251309 1119830895 /nfs/dbraw/zinc/83/08/95/1119830895.db2.gz ZXVYBKSJYOQTEY-UHFFFAOYSA-N 0 0 280.220 3.542 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000310787844 1119952355 /nfs/dbraw/zinc/95/23/55/1119952355.db2.gz CZVAKYNSYJPRIN-SECBINFHSA-N 0 0 296.144 3.976 20 10 CHCDRN C[C@@H](Nc1cnn(C(C)(C)C)c1)c1ccc(F)cc1O ZINC000186357278 1120033498 /nfs/dbraw/zinc/03/34/98/1120033498.db2.gz HEULFWYJTCOGBC-SNVBAGLBSA-N 0 0 277.343 3.656 20 10 CHCDRN CC[C@@H](Nc1ccc2c(c1)N(C)CCO2)c1ccccc1O ZINC000186376745 1120038700 /nfs/dbraw/zinc/03/87/00/1120038700.db2.gz CLPHJIOFGUROIB-OAHLLOKOSA-N 0 0 298.386 3.784 20 10 CHCDRN Cc1snnc1-c1nc(-c2ccc3ccccc3c2)no1 ZINC001212404998 1120067458 /nfs/dbraw/zinc/06/74/58/1120067458.db2.gz DHKDKEZZZNLSAG-UHFFFAOYSA-N 0 0 294.339 3.717 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000695095528 1120104589 /nfs/dbraw/zinc/10/45/89/1120104589.db2.gz HGNWYVNHOQRCDC-JTQLQIEISA-N 0 0 275.726 3.713 20 10 CHCDRN Cc1ccc(F)cc1N[C@@H]1CCc2cccc(O)c21 ZINC000311834267 1120109841 /nfs/dbraw/zinc/10/98/41/1120109841.db2.gz GPPAOEGCHSMTKF-CYBMUJFWSA-N 0 0 257.308 3.939 20 10 CHCDRN Cc1cccc(N[C@H]2CCc3cccc(O)c32)c1F ZINC000311843745 1120113097 /nfs/dbraw/zinc/11/30/97/1120113097.db2.gz HYEABHVVXRMSJW-LBPRGKRZSA-N 0 0 257.308 3.939 20 10 CHCDRN COc1ccc(N(C)Cc2ccco2)cc1Cl ZINC000171389542 1120125782 /nfs/dbraw/zinc/12/57/82/1120125782.db2.gz LYLVZKPTQIYZAI-UHFFFAOYSA-N 0 0 251.713 3.578 20 10 CHCDRN [O-]c1cc(Cl)c(Cl)cc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001236793274 1128892539 /nfs/dbraw/zinc/89/25/39/1128892539.db2.gz JTPYKAHXMHKBMA-UWVGGRQHSA-N 0 0 286.202 3.931 20 10 CHCDRN CC(C)OCCCSc1ncc(-c2ccccc2)n1C ZINC000728687133 1120138929 /nfs/dbraw/zinc/13/89/29/1120138929.db2.gz OMOABPFRWFORSN-UHFFFAOYSA-N 0 0 290.432 3.994 20 10 CHCDRN CC(C)c1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000180586083 1120278845 /nfs/dbraw/zinc/27/88/45/1120278845.db2.gz KYUIJZNUBZLLKV-ONNFQVAWSA-N 0 0 297.354 3.873 20 10 CHCDRN COc1ccc(N(C)CC2CC(C)(C)C2)cc1F ZINC001307555073 1120445238 /nfs/dbraw/zinc/44/52/38/1120445238.db2.gz DYNPZMXFMHJEFO-UHFFFAOYSA-N 0 0 251.345 3.707 20 10 CHCDRN CCOc1ccc(N(CC)Cc2cncc(C)c2)cc1 ZINC000785466184 1120449131 /nfs/dbraw/zinc/44/91/31/1120449131.db2.gz KITVDMKMDLECGJ-UHFFFAOYSA-N 0 0 270.376 3.815 20 10 CHCDRN CC[C@H]([NH2+]C[C@H](C)c1ccccn1)c1ccccc1O ZINC000692692686 1120488247 /nfs/dbraw/zinc/48/82/47/1120488247.db2.gz VFRACNDNDPZGNR-ZFWWWQNUSA-N 0 0 270.376 3.632 20 10 CHCDRN CCCC[C@@H](C)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000312605944 1120493011 /nfs/dbraw/zinc/49/30/11/1120493011.db2.gz FITBRCDPWNZKAY-LLVKDONJSA-N 0 0 281.371 3.744 20 10 CHCDRN CC[C@@H](Nc1ccc(OC)cc1)c1ccccc1O ZINC000019964832 1120552065 /nfs/dbraw/zinc/55/20/65/1120552065.db2.gz MHEJIEFNFFKXFC-OAHLLOKOSA-N 0 0 257.333 3.964 20 10 CHCDRN COCCCCCN(C)c1ccc(OC(C)C)cc1 ZINC000759913426 1120622183 /nfs/dbraw/zinc/62/21/83/1120622183.db2.gz BBAPEOIJPOOPNE-UHFFFAOYSA-N 0 0 265.397 3.727 20 10 CHCDRN CCCO[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000124030991 1120640554 /nfs/dbraw/zinc/64/05/54/1120640554.db2.gz XRFCITUFCYQUGQ-CYBMUJFWSA-N 0 0 297.826 3.827 20 10 CHCDRN CC(=O)CCCSc1ncc(-c2ccccc2)n1C ZINC000125380140 1120732094 /nfs/dbraw/zinc/73/20/94/1120732094.db2.gz FFMGIFGYRIDWMU-UHFFFAOYSA-N 0 0 274.389 3.548 20 10 CHCDRN CC(C)Oc1ccc(N(C)CC(=O)Nc2ccccc2)cc1 ZINC000191598057 1128944812 /nfs/dbraw/zinc/94/48/12/1128944812.db2.gz OKMQJNLNLDWMMN-UHFFFAOYSA-N 0 0 298.386 3.549 20 10 CHCDRN CSc1ccc(N[C@H](C)c2cc(F)ccc2O)nc1 ZINC000756845042 1120937817 /nfs/dbraw/zinc/93/78/17/1120937817.db2.gz ODTDNNGFGUQEOD-SECBINFHSA-N 0 0 278.352 3.821 20 10 CHCDRN CN(C)c1ccc(CNc2ccc(Cl)cn2)cc1F ZINC000078655820 1128951768 /nfs/dbraw/zinc/95/17/68/1128951768.db2.gz HRANBKCRCAYPQX-UHFFFAOYSA-N 0 0 279.746 3.552 20 10 CHCDRN Cc1cccc(CNc2cnn(C3CCCC3)c2)c1O ZINC000722372668 1121006858 /nfs/dbraw/zinc/00/68/58/1121006858.db2.gz OGOLBLCORUGMSP-UHFFFAOYSA-N 0 0 271.364 3.624 20 10 CHCDRN CCOc1cccc(CNc2cc(OC)ccc2F)c1O ZINC000094854130 1121233211 /nfs/dbraw/zinc/23/32/11/1121233211.db2.gz OHRBRBLHHPBHQX-UHFFFAOYSA-N 0 0 291.322 3.551 20 10 CHCDRN [O-]c1c(C[NH2+]CC2CCC(F)(F)CC2)ccc(F)c1F ZINC000703326591 1121245267 /nfs/dbraw/zinc/24/52/67/1121245267.db2.gz DEOARNVQRJLQRB-UHFFFAOYSA-N 0 0 291.288 3.586 20 10 CHCDRN CCCCCC(C)(C)CNC(=O)Nc1ccc(N)cc1 ZINC000094990332 1121250087 /nfs/dbraw/zinc/25/00/87/1121250087.db2.gz BKJYBIJBWKLYPX-UHFFFAOYSA-N 0 0 277.412 3.997 20 10 CHCDRN CSCCCCCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703379687 1121253647 /nfs/dbraw/zinc/25/36/47/1121253647.db2.gz PCIHALXWAKGGFZ-UHFFFAOYSA-N 0 0 289.391 3.683 20 10 CHCDRN CCCN(CCC)c1ccc(CNc2ccon2)cc1 ZINC000766109257 1121262264 /nfs/dbraw/zinc/26/22/64/1121262264.db2.gz JEOBCITUKDFDRW-UHFFFAOYSA-N 0 0 273.380 3.913 20 10 CHCDRN CCCC1CCC(N(C)C(=O)c2cccc(O)c2O)CC1 ZINC000192267380 1128981759 /nfs/dbraw/zinc/98/17/59/1128981759.db2.gz BBIRWMRXHZHXMC-UHFFFAOYSA-N 0 0 291.391 3.529 20 10 CHCDRN CCc1ccc(C[N@H+](C)Cc2c([O-])cccc2F)cc1 ZINC001137838745 1121420623 /nfs/dbraw/zinc/42/06/23/1121420623.db2.gz JOGWGJFQDFDHKU-UHFFFAOYSA-N 0 0 273.351 3.726 20 10 CHCDRN COc1ccccc1[C@@H](C)[N@H+](C)Cc1c([O-])cccc1F ZINC001137839039 1121425463 /nfs/dbraw/zinc/42/54/63/1121425463.db2.gz OXUIMAJXSXJMCK-GFCCVEGCSA-N 0 0 289.350 3.733 20 10 CHCDRN [O-]c1c(Br)cccc1C[NH2+][C@H]1CCCC12CC2 ZINC000706937172 1121446229 /nfs/dbraw/zinc/44/62/29/1121446229.db2.gz TWHWGJFBGKLXAR-LBPRGKRZSA-N 0 0 296.208 3.577 20 10 CHCDRN CC[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])CC(F)(F)F ZINC000708494650 1121468587 /nfs/dbraw/zinc/46/85/87/1121468587.db2.gz NGEBAFQRNALPKO-QMMMGPOBSA-N 0 0 297.267 3.739 20 10 CHCDRN CN(C)c1ccc(CNc2cccc3ccn(C)c32)cc1 ZINC000190906199 1121618509 /nfs/dbraw/zinc/61/85/09/1121618509.db2.gz JJCCKADBYFKYOF-UHFFFAOYSA-N 0 0 279.387 3.856 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C1CCC(F)(F)CC1 ZINC000688482219 1128999249 /nfs/dbraw/zinc/99/92/49/1128999249.db2.gz MNSCXXRXROFMEV-UHFFFAOYSA-N 0 0 275.726 3.713 20 10 CHCDRN Oc1cccc(Nc2ccc(-c3ccncc3)cc2)c1O ZINC001176697337 1121676102 /nfs/dbraw/zinc/67/61/02/1121676102.db2.gz DTJQYQBCWAUDPR-UHFFFAOYSA-N 0 0 278.311 3.903 20 10 CHCDRN Cc1c(C)n(C)c2ccc(OCc3cc(C)nc(C)n3)cc12 ZINC000664097102 1121681136 /nfs/dbraw/zinc/68/11/36/1121681136.db2.gz AUOHXLZBHVYDKX-UHFFFAOYSA-N 0 0 295.386 3.781 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)CCC(C)(F)F ZINC000727168066 1121705565 /nfs/dbraw/zinc/70/55/65/1121705565.db2.gz IYYNYGCWLGXFLW-UHFFFAOYSA-N 0 0 285.334 3.566 20 10 CHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)c(C)c2)c1 ZINC000728983675 1121733852 /nfs/dbraw/zinc/73/38/52/1121733852.db2.gz CKUOWSJRPWZWAH-ZDUSSCGKSA-N 0 0 299.370 3.509 20 10 CHCDRN O=C(CSc1ncc(Cl)s1)[C@@H]1Cc2ccccc21 ZINC001166587462 1121760831 /nfs/dbraw/zinc/76/08/31/1121760831.db2.gz PHWWXQCTKQLYIX-SNVBAGLBSA-N 0 0 295.816 3.798 20 10 CHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(C)c2C)c1 ZINC000729280306 1121771201 /nfs/dbraw/zinc/77/12/01/1121771201.db2.gz PXWINGWFPQHYLU-CYBMUJFWSA-N 0 0 299.370 3.509 20 10 CHCDRN C[C@H]1CCN(C(=O)/C=C\c2cncc(F)c2)c2ccccc21 ZINC000729323098 1121776824 /nfs/dbraw/zinc/77/68/24/1121776824.db2.gz MSKGKLRNMVAFCG-FWWRYZNZSA-N 0 0 296.345 3.774 20 10 CHCDRN CC(C)CN(C(=O)/C=C\c1cncc(F)c1)c1ccccc1 ZINC000729350205 1121778272 /nfs/dbraw/zinc/77/82/72/1121778272.db2.gz VVFNUVPSZZKAQX-HJWRWDBZSA-N 0 0 298.361 3.923 20 10 CHCDRN CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H]1CC1(C)C ZINC001178978235 1121831792 /nfs/dbraw/zinc/83/17/92/1121831792.db2.gz 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CHCDRN CC[C@](C)(NCc1ccc(OC)c(C)c1)C(F)(F)F ZINC000747814113 1130711350 /nfs/dbraw/zinc/71/13/50/1130711350.db2.gz PQLJXTWISCHGGQ-ZDUSSCGKSA-N 0 0 275.314 3.824 20 10 CHCDRN Cc1nn(C)c2cc(NCc3cc(C)ccc3O)ccc12 ZINC000812773938 1130712632 /nfs/dbraw/zinc/71/26/32/1130712632.db2.gz AEFPMAGLCAHKBS-UHFFFAOYSA-N 0 0 281.359 3.508 20 10 CHCDRN Cc1cc2c(cc1N[C@@H](C)c1ccc(N(C)C)cc1)OCO2 ZINC000781429062 1130717496 /nfs/dbraw/zinc/71/74/96/1130717496.db2.gz XSDYOJJSGUIQPH-ZDUSSCGKSA-N 0 0 298.386 3.963 20 10 CHCDRN CC[C@@H](C)[N@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000781896598 1130745228 /nfs/dbraw/zinc/74/52/28/1130745228.db2.gz LMQZLRYUVFAYHH-SNVBAGLBSA-N 0 0 286.213 3.693 20 10 CHCDRN CCCc1nc(C)c(CNCc2ccc(OC)c(C)c2)o1 ZINC000813791870 1130785247 /nfs/dbraw/zinc/78/52/47/1130785247.db2.gz GSWBABGNSFJLAL-UHFFFAOYSA-N 0 0 288.391 3.542 20 10 CHCDRN Cc1ccc(N(C)C(=O)/C=C\c2cnccc2C)cc1C ZINC000783920401 1130863261 /nfs/dbraw/zinc/86/32/61/1130863261.db2.gz PWDABCQXWVTUEZ-VURMDHGXSA-N 0 0 280.371 3.683 20 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UDCLGNQEWDJMEL-GJZGRUSLSA-N 0 0 283.387 3.633 20 10 CHCDRN CC[C@H]([NH2+]CC1(SC)CCC1)c1ccc(F)cc1[O-] ZINC000796972327 1130949731 /nfs/dbraw/zinc/94/97/31/1130949731.db2.gz NCJYYYHORJBFAJ-ZDUSSCGKSA-N 0 0 283.412 3.858 20 10 CHCDRN CCc1ccc(CN2CCCc3cc(OC)ccc32)nc1 ZINC000815013729 1130951144 /nfs/dbraw/zinc/95/11/44/1130951144.db2.gz QQQWCHBQNFYEPA-UHFFFAOYSA-N 0 0 282.387 3.605 20 10 CHCDRN COC(=O)c1cc(Cl)sc1Nc1ccc(N)cc1 ZINC001159287790 1130958731 /nfs/dbraw/zinc/95/87/31/1130958731.db2.gz ILFHNQFUGSJEOW-UHFFFAOYSA-N 0 0 282.752 3.514 20 10 CHCDRN COc1ccc(CNCc2c(F)cc(F)cc2F)cc1C ZINC000815152390 1130963979 /nfs/dbraw/zinc/96/39/79/1130963979.db2.gz RPPQSNHWQOEDNM-UHFFFAOYSA-N 0 0 295.304 3.711 20 10 CHCDRN CCc1ccnc(CNC(=S)Nc2ccc(C)cc2C)c1 ZINC000797793799 1131002453 /nfs/dbraw/zinc/00/24/53/1131002453.db2.gz WUSSLFZDHFDNNI-UHFFFAOYSA-N 0 0 299.443 3.747 20 10 CHCDRN C[C@@H]([NH2+]Cc1ccn(C)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815585731 1131003526 /nfs/dbraw/zinc/00/35/26/1131003526.db2.gz QPDCXOLOSRBSMS-SNVBAGLBSA-N 0 0 298.308 3.600 20 10 CHCDRN C[C@H]([NH2+]CC1(C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815595686 1131005922 /nfs/dbraw/zinc/00/59/22/1131005922.db2.gz YDSHAWDWLTZFPK-VIFPVBQESA-N 0 0 273.298 3.862 20 10 CHCDRN C[C@H]([NH2+]C1CC(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815595565 1131006077 /nfs/dbraw/zinc/00/60/77/1131006077.db2.gz VIFKLAVWTWCTMB-KYHHOPLUSA-N 0 0 273.298 3.860 20 10 CHCDRN CCc1ccc(CN2CCCC[C@@H]2C(F)(F)F)c(O)c1 ZINC001236786756 1131007023 /nfs/dbraw/zinc/00/70/23/1131007023.db2.gz IEZZYXGXQPMVTO-CQSZACIVSA-N 0 0 287.325 3.871 20 10 CHCDRN CC[C@@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236802885 1131011388 /nfs/dbraw/zinc/01/13/88/1131011388.db2.gz KIYXAKSRADOBQE-SECBINFHSA-N 0 0 274.191 3.931 20 10 CHCDRN COc1ccc(C[NH+]2CC3(C2)CCCCC3)c([O-])c1Cl ZINC001236805863 1131011533 /nfs/dbraw/zinc/01/15/33/1131011533.db2.gz GMNMCNGAHWVYMD-UHFFFAOYSA-N 0 0 295.810 3.820 20 10 CHCDRN COc1ccc(C[NH+]2C3CCCC2CCC3)c([O-])c1Cl ZINC001236806497 1131011712 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C[N@H+](CCC1CC1)Cc1c(O)cccc1OC(F)(F)F ZINC001237114920 1131052124 /nfs/dbraw/zinc/05/21/24/1131052124.db2.gz PCSKNKGWGNXNLT-UHFFFAOYSA-N 0 0 289.297 3.523 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000798938479 1131063384 /nfs/dbraw/zinc/06/33/84/1131063384.db2.gz XWQJGNAZYVVZTE-DCAQKATOSA-N 0 0 269.335 3.757 20 10 CHCDRN CC[C@H]1C[N@H+](Cc2cc(Cl)c(F)cc2[O-])CCS1 ZINC000816513106 1131103072 /nfs/dbraw/zinc/10/30/72/1131103072.db2.gz GNJUIWKVUZZBMZ-JTQLQIEISA-N 0 0 289.803 3.512 20 10 CHCDRN CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816539548 1131106026 /nfs/dbraw/zinc/10/60/26/1131106026.db2.gz KUSVVTCLDICJFK-BDAKNGLRSA-N 0 0 259.752 3.709 20 10 CHCDRN C[C@@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccc(F)cc1[O-] ZINC000799729292 1131106158 /nfs/dbraw/zinc/10/61/58/1131106158.db2.gz SACFJCVLYWHKEU-GFCCVEGCSA-N 0 0 298.361 3.906 20 10 CHCDRN Oc1cc(F)c(Cl)cc1CNc1ccc(F)cc1 ZINC000816522960 1131106587 /nfs/dbraw/zinc/10/65/87/1131106587.db2.gz 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ZINC000817118492 1131143831 /nfs/dbraw/zinc/14/38/31/1131143831.db2.gz YOLFVJLXHXUMER-UHFFFAOYSA-N 0 0 275.377 3.513 20 10 CHCDRN C[C@@H]1CCCC[N@@H+]1Cc1cc(F)c(Cl)cc1[O-] ZINC001237947439 1131154786 /nfs/dbraw/zinc/15/47/86/1131154786.db2.gz PSECTKAZWHMEJO-SECBINFHSA-N 0 0 257.736 3.559 20 10 CHCDRN Oc1cc(Cl)c(F)cc1CN1CCc2ccccc2C1 ZINC001237947615 1131155479 /nfs/dbraw/zinc/15/54/79/1131155479.db2.gz RQFWFOZWKLVPSI-UHFFFAOYSA-N 0 0 291.753 3.743 20 10 CHCDRN Clc1cc(OCc2ccno2)ccc1N1CCCCC1 ZINC000817381293 1131156661 /nfs/dbraw/zinc/15/66/61/1131156661.db2.gz GANOOBOZOUQLFE-UHFFFAOYSA-N 0 0 292.766 3.897 20 10 CHCDRN Cc1cc(F)cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1O ZINC001238065818 1131166515 /nfs/dbraw/zinc/16/65/15/1131166515.db2.gz BJUHSKKXESYRQB-IUODEOHRSA-N 0 0 263.356 3.604 20 10 CHCDRN CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)CCO1 ZINC000817587416 1131173833 /nfs/dbraw/zinc/17/38/33/1131173833.db2.gz WLHNXCOBEADBRV-RAIGVLPGSA-N 0 0 283.799 3.654 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1cc(F)ccc1O ZINC000817588311 1131173857 /nfs/dbraw/zinc/17/38/57/1131173857.db2.gz DGGBLCCTZKXSOF-VXGBXAGGSA-N 0 0 295.423 3.715 20 10 CHCDRN CC[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)CCO1 ZINC000817586755 1131174325 /nfs/dbraw/zinc/17/43/25/1131174325.db2.gz SBNQVSMDPPNXED-BYNQJWBRSA-N 0 0 293.382 3.627 20 10 CHCDRN C[C@@H](Nc1ccc2c(c1)CCN2)c1cc(F)ccc1O ZINC000817950746 1131189220 /nfs/dbraw/zinc/18/92/20/1131189220.db2.gz YLMXIDMMANHBCK-SNVBAGLBSA-N 0 0 272.323 3.672 20 10 CHCDRN COc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)CCN3)c1 ZINC000817949674 1131189597 /nfs/dbraw/zinc/18/95/97/1131189597.db2.gz MAJJRMJVNOHNKE-LLVKDONJSA-N 0 0 284.359 3.542 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CC12CC2)c1cccc(C(F)(F)F)c1[O-] ZINC000818356521 1131211754 /nfs/dbraw/zinc/21/17/54/1131211754.db2.gz NWJWMMGMTLKZKP-LDYMZIIASA-N 0 0 271.282 3.614 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](C)[C@H]2C)cc1 ZINC000818467443 1131215082 /nfs/dbraw/zinc/21/50/82/1131215082.db2.gz UBRKLVDWDCPFRL-SWLSCSKDSA-N 0 0 282.387 3.575 20 10 CHCDRN CC[C@@H](CC(=O)Nc1ccc(N)cc1)c1ccc(OC)cc1 ZINC000818556303 1131217008 /nfs/dbraw/zinc/21/70/08/1131217008.db2.gz JVGOHTGKJAXFLG-ZDUSSCGKSA-N 0 0 298.386 3.800 20 10 CHCDRN CN(CC[C@H]1CCOC1)c1ccc(-c2nccs2)cc1 ZINC001118306017 1131218174 /nfs/dbraw/zinc/21/81/74/1131218174.db2.gz BQABVYYDWYAQNS-ZDUSSCGKSA-N 0 0 288.416 3.673 20 10 CHCDRN Cc1cc(-c2nnc(C)o2)c(C)n1-c1ccccc1C ZINC001118412326 1131223750 /nfs/dbraw/zinc/22/37/50/1131223750.db2.gz HCICQEDIJHNLIF-UHFFFAOYSA-N 0 0 267.332 3.761 20 10 CHCDRN CC[C@H]([NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)c1ccc(F)cc1[O-] ZINC001118489833 1131229788 /nfs/dbraw/zinc/22/97/88/1131229788.db2.gz WBPMQRKFMHESSA-RYDUCSDGSA-N 0 0 285.309 3.616 20 10 CHCDRN CCN(Cc1ccccc1F)Cc1c(O)cccc1F ZINC001137839224 1131421325 /nfs/dbraw/zinc/42/13/25/1131421325.db2.gz XKGKYWHREBOZHI-UHFFFAOYSA-N 0 0 277.314 3.693 20 10 CHCDRN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001137837556 1131421450 /nfs/dbraw/zinc/42/14/50/1131421450.db2.gz LTDFHWKCKLGNPX-HNNXBMFYSA-N 0 0 285.362 3.911 20 10 CHCDRN CCC[C@@H]1CCCC[N@@H+]1Cc1c([O-])cccc1F ZINC001137837802 1131421764 /nfs/dbraw/zinc/42/17/64/1131421764.db2.gz VIEVMIDJROVYLZ-GFCCVEGCSA-N 0 0 251.345 3.686 20 10 CHCDRN CC[C@H]1CCC[C@@H]1C(=O)NCCCSc1nccs1 ZINC000823298303 1131422313 /nfs/dbraw/zinc/42/23/13/1131422313.db2.gz POLPJCTXTGJRRK-RYUDHWBXSA-N 0 0 298.477 3.568 20 10 CHCDRN CC[N@H+](Cc1ccc(C)cc1)Cc1c([O-])cccc1F ZINC001137840420 1131422380 /nfs/dbraw/zinc/42/23/80/1131422380.db2.gz ZTEBHJFDSUPWGF-UHFFFAOYSA-N 0 0 273.351 3.862 20 10 CHCDRN C[C@H](NC(=O)[C@@]1(C)CC=CCC1)c1ccc(N(C)C)cc1 ZINC000829816373 1131434966 /nfs/dbraw/zinc/43/49/66/1131434966.db2.gz ACVYFKQVCZQIMX-KSSFIOAISA-N 0 0 286.419 3.676 20 10 CHCDRN C[C@H](NC(=O)[C@@]1(C)CCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000829816634 1131435076 /nfs/dbraw/zinc/43/50/76/1131435076.db2.gz FJXBTHFUGNMZJK-GLJUWKHASA-N 0 0 288.435 3.756 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC1(C)C ZINC000830141230 1131446283 /nfs/dbraw/zinc/44/62/83/1131446283.db2.gz PDSKHLKULCLJNZ-CQSZACIVSA-N 0 0 275.392 3.567 20 10 CHCDRN O=C(NCc1c(O)cccc1F)c1ccccc1C1CCC1 ZINC000830179632 1131447445 /nfs/dbraw/zinc/44/74/45/1131447445.db2.gz BENOYARXILXBCK-UHFFFAOYSA-N 0 0 299.345 3.729 20 10 CHCDRN COc1ccc(O)c([C@@H](C)NC(=O)O[C@@H](C)CC(C)C)c1 ZINC000830623405 1131462398 /nfs/dbraw/zinc/46/23/98/1131462398.db2.gz OOPDWXPTBJOSBW-NWDGAFQWSA-N 0 0 295.379 3.623 20 10 CHCDRN CC[N@H+](Cc1ccc(F)cc1)Cc1cccc(F)c1[O-] ZINC001138128496 1131469985 /nfs/dbraw/zinc/46/99/85/1131469985.db2.gz NUAGCZRZXDIRMV-UHFFFAOYSA-N 0 0 277.314 3.693 20 10 CHCDRN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CC2(CCCC2)O1 ZINC000843434070 1131471077 /nfs/dbraw/zinc/47/10/77/1131471077.db2.gz HHQOWJPGAWGLAH-GFCCVEGCSA-N 0 0 295.810 3.579 20 10 CHCDRN CCOc1ccc(O)c(CNc2cncc(Cl)c2C)c1 ZINC000824494676 1131471215 /nfs/dbraw/zinc/47/12/15/1131471215.db2.gz IJWWMXIJMIXWSP-UHFFFAOYSA-N 0 0 292.766 3.760 20 10 CHCDRN Cc1c(C[N@H+](C)Cc2cccc(O)c2)c2ccccc2n1C ZINC001138252572 1131482458 /nfs/dbraw/zinc/48/24/58/1131482458.db2.gz MFZNJUHRRDGNAV-UHFFFAOYSA-N 0 0 294.398 3.824 20 10 CHCDRN CCN(C(=O)/C=C(/C)c1cnccn1)c1cc(C)cc(C)c1 ZINC000824821357 1131485524 /nfs/dbraw/zinc/48/55/24/1131485524.db2.gz YRFPOSGAYXXFHK-PTNGSMBKSA-N 0 0 295.386 3.550 20 10 CHCDRN CCOC1CC(CN(CC2CC2)c2ccc(OC)cc2)C1 ZINC000831587511 1131491593 /nfs/dbraw/zinc/49/15/93/1131491593.db2.gz CCXWIUPEFODJNO-UHFFFAOYSA-N 0 0 289.419 3.727 20 10 CHCDRN Cc1cccc(C2(NC(=O)C3=CC(=O)CS3)CCC2)c1 ZINC000844147952 1131535552 /nfs/dbraw/zinc/53/55/52/1131535552.db2.gz IPRTUKAKEMZHMV-UHFFFAOYSA-N 0 0 287.384 3.571 20 10 CHCDRN C/C=C(\C)C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001143951799 1131561874 /nfs/dbraw/zinc/56/18/74/1131561874.db2.gz VJYBLQVBVRPJFX-OJXHRBAXSA-N 0 0 287.403 3.715 20 10 CHCDRN CCC[C@@H](CC)S(=O)(=O)Nc1cc(C)c(O)c(C)c1C ZINC000844664098 1131591917 /nfs/dbraw/zinc/59/19/17/1131591917.db2.gz SCTMDINTRSMOGT-CYBMUJFWSA-N 0 0 299.436 3.638 20 10 CHCDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1cccc(C2CC2)c1 ZINC000833036417 1131601843 /nfs/dbraw/zinc/60/18/43/1131601843.db2.gz BVSSBSPORGBMEQ-JTQLQIEISA-N 0 0 287.384 3.822 20 10 CHCDRN Cc1cncc(CCSc2ncc(C(C)(C)C)s2)n1 ZINC000845309330 1131628269 /nfs/dbraw/zinc/62/82/69/1131628269.db2.gz MINSOERJRJDHSK-UHFFFAOYSA-N 0 0 293.461 3.874 20 10 CHCDRN Cc1cc(C)c(CNC(=O)C[C@H](C)c2ccccc2)c(O)c1 ZINC001144432390 1131633939 /nfs/dbraw/zinc/63/39/39/1131633939.db2.gz PTLRZUKZBWVGDQ-AWEZNQCLSA-N 0 0 297.398 3.819 20 10 CHCDRN COc1ccc(N(C)Cc2ncc(C(C)C)s2)cc1 ZINC000845999756 1131676907 /nfs/dbraw/zinc/67/69/07/1131676907.db2.gz ZAZVJSNHYIMYPT-UHFFFAOYSA-N 0 0 276.405 3.912 20 10 CHCDRN CCc1c(N[C@H]2CCc3cccc(O)c32)cnn1CC(C)C ZINC000834733656 1131698770 /nfs/dbraw/zinc/69/87/70/1131698770.db2.gz QZBNGJIEDKRBJA-AWEZNQCLSA-N 0 0 299.418 3.907 20 10 CHCDRN Oc1cccc(Cl)c1CN1CCC[C@H](F)C(F)(F)C1 ZINC001140337984 1131702475 /nfs/dbraw/zinc/70/24/75/1131702475.db2.gz POQZGJVMAYRAKB-LBPRGKRZSA-N 0 0 293.716 3.615 20 10 CHCDRN C/C(=C/C(C)(C)C)C(=O)NCc1cc(Cl)ccc1O ZINC000846472647 1131710981 /nfs/dbraw/zinc/71/09/81/1131710981.db2.gz CYCFLUNOXHKHGW-NTMALXAHSA-N 0 0 281.783 3.654 20 10 CHCDRN O=C(NCc1cc(Cl)ccc1O)C1CCCCCC1 ZINC000846472770 1131711036 /nfs/dbraw/zinc/71/10/36/1131711036.db2.gz MPFJMOOTSPEDQE-UHFFFAOYSA-N 0 0 281.783 3.632 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-])[C@@H](C)O ZINC000834886181 1131718364 /nfs/dbraw/zinc/71/83/64/1131718364.db2.gz ADDPLXUWQVKCFB-SXMVTHIZSA-N 0 0 292.206 3.509 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc(Cl)c1[O-] ZINC000834896232 1131722003 /nfs/dbraw/zinc/72/20/03/1131722003.db2.gz HWTFUUIBJQJJMA-DFBGVHRSSA-N 0 0 297.826 3.637 20 10 CHCDRN Cc1cc(C)c(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cn1 ZINC000834902099 1131727105 /nfs/dbraw/zinc/72/71/05/1131727105.db2.gz DQTBYGZWMUUCET-NSHDSACASA-N 0 0 292.329 3.533 20 10 CHCDRN COCC1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CCCC1 ZINC000834906998 1131729822 /nfs/dbraw/zinc/72/98/22/1131729822.db2.gz VPHVLYKLTGBJTF-NSHDSACASA-N 0 0 299.361 3.528 20 10 CHCDRN CCO[C@@H]1CCC[C@H]1[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000834912886 1131731901 /nfs/dbraw/zinc/73/19/01/1131731901.db2.gz MZOMMPIBSCDDON-IIAWOOMASA-N 0 0 281.371 3.530 20 10 CHCDRN CCC(C)(C)OCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000834914102 1131733063 /nfs/dbraw/zinc/73/30/63/1131733063.db2.gz LFNAFMMWQGZHIT-NSHDSACASA-N 0 0 285.815 3.901 20 10 CHCDRN C[N@H+](Cc1ccc(Cl)cc1O)Cc1ccccc1F ZINC001140467591 1131751808 /nfs/dbraw/zinc/75/18/08/1131751808.db2.gz YRKRPEZBPKSNQN-UHFFFAOYSA-N 0 0 279.742 3.817 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCC1CC(F)(F)C1 ZINC000835059867 1131766432 /nfs/dbraw/zinc/76/64/32/1131766432.db2.gz LHBUPSZUGGBORR-UHFFFAOYSA-N 0 0 293.716 3.710 20 10 CHCDRN CN(CCCCF)c1ccc(-c2nccs2)cc1 ZINC000846990384 1131767496 /nfs/dbraw/zinc/76/74/96/1131767496.db2.gz AHXFNZOPLHQGIN-UHFFFAOYSA-N 0 0 264.369 3.996 20 10 CHCDRN C[C@H](COc1ccc(N(C)C)cc1)Oc1ccccc1 ZINC001227938718 1131771079 /nfs/dbraw/zinc/77/10/79/1131771079.db2.gz DQXDFABIRTVYER-CQSZACIVSA-N 0 0 271.360 3.599 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)[C@@H]1CC1(C)C ZINC001171285842 1131799375 /nfs/dbraw/zinc/79/93/75/1131799375.db2.gz CWORXNIEAJNQLX-LSDHHAIUSA-N 0 0 293.382 3.648 20 10 CHCDRN Cc1ccc(O)c(CN2CCCC[C@@H]2C(F)(F)F)c1 ZINC001140621057 1131831630 /nfs/dbraw/zinc/83/16/30/1131831630.db2.gz NGCILBPRAWZCLX-CYBMUJFWSA-N 0 0 273.298 3.617 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1 ZINC001147956168 1131840185 /nfs/dbraw/zinc/84/01/85/1131840185.db2.gz ALULLXLEPSQDRF-SHTZXODSSA-N 0 0 289.419 3.779 20 10 CHCDRN CCCCCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772995762 1131876225 /nfs/dbraw/zinc/87/62/25/1131876225.db2.gz RJUKNBMTOKRNJH-ZDUSSCGKSA-N 0 0 262.397 3.510 20 10 CHCDRN CC[C@H](C)[C@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773010239 1131919221 /nfs/dbraw/zinc/91/92/21/1131919221.db2.gz NHWDKUKRLKXXKB-MELADBBJSA-N 0 0 276.424 3.612 20 10 CHCDRN C[C@H](NC(=O)/C=C\C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773017174 1131919762 /nfs/dbraw/zinc/91/97/62/1131919762.db2.gz UPPDROZYFXABPE-HHQWOOOKSA-N 0 0 274.408 3.532 20 10 CHCDRN CCC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCCC1 ZINC000773016107 1131920298 /nfs/dbraw/zinc/92/02/98/1131920298.db2.gz SWPZATBBDVPEKP-AWEZNQCLSA-N 0 0 288.435 3.900 20 10 CHCDRN CCC/C(C)=C\C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773023868 1131921864 /nfs/dbraw/zinc/92/18/64/1131921864.db2.gz KWUDROCFDWWDOW-WUFNSSIPSA-N 0 0 274.408 3.676 20 10 CHCDRN CN(C)c1ccc(C[N@@H+]2CCC23CCCC3)c(Cl)c1 ZINC001140922635 1131962692 /nfs/dbraw/zinc/96/26/92/1131962692.db2.gz XOKMPIZUBHYESJ-UHFFFAOYSA-N 0 0 278.827 3.925 20 10 CHCDRN Cc1cc(NCc2cc3ccccc3cc2O)nc(C)n1 ZINC001171399530 1131966250 /nfs/dbraw/zinc/96/62/50/1131966250.db2.gz JOKMZNLQFQQNKX-UHFFFAOYSA-N 0 0 279.343 3.564 20 10 CHCDRN Oc1cc2ccccc2cc1CNc1ccc(=S)[nH]c1 ZINC001171405446 1131972175 /nfs/dbraw/zinc/97/21/75/1131972175.db2.gz VFXUWFAXJDODLK-UHFFFAOYSA-N 0 0 282.368 3.841 20 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/nfs/dbraw/zinc/38/77/54/1133387754.db2.gz SHPHLZWMQKVFOW-UHFFFAOYSA-N 0 0 295.430 3.752 20 10 CHCDRN CC[N@H+](Cc1cccc(Cl)c1)Cc1ccc(O)cc1O ZINC001204277353 1133426824 /nfs/dbraw/zinc/42/68/24/1133426824.db2.gz BCKPHGAMJRXTBF-UHFFFAOYSA-N 0 0 291.778 3.773 20 10 CHCDRN CCCN(Cc1ccc(Cl)cc1O)CC(F)F ZINC001204566795 1133464159 /nfs/dbraw/zinc/46/41/59/1133464159.db2.gz XNKRMFKTJQAMNR-UHFFFAOYSA-N 0 0 263.715 3.523 20 10 CHCDRN CC1(C)C[NH+](Cc2ccc(F)c(F)c2[O-])CC(C)(C)C1 ZINC001205236422 1133548733 /nfs/dbraw/zinc/54/87/33/1133548733.db2.gz BAWREPYISRPDDP-UHFFFAOYSA-N 0 0 283.362 3.929 20 10 CHCDRN CCCOc1cncc(NCc2cccc(CC)c2O)c1 ZINC001206708717 1133734808 /nfs/dbraw/zinc/73/48/08/1133734808.db2.gz WAUNTCCOQCLFMW-UHFFFAOYSA-N 0 0 286.375 3.751 20 10 CHCDRN c1cnc2cccc(Nc3ccc4c(c3)OCCN4)c2c1 ZINC001209726820 1134054631 /nfs/dbraw/zinc/05/46/31/1134054631.db2.gz CXSUPCCMTTUFDK-UHFFFAOYSA-N 0 0 277.327 3.783 20 10 CHCDRN c1cc2ccc(Nc3ccc4c(c3)OCCN4)cc2cn1 ZINC001209766305 1134059919 /nfs/dbraw/zinc/05/99/19/1134059919.db2.gz NGXNZJNHRGSCMN-UHFFFAOYSA-N 0 0 277.327 3.783 20 10 CHCDRN CC(=O)c1ccc(F)c(Nc2ccc3c(c2)OCCN3)c1 ZINC001209766889 1134060182 /nfs/dbraw/zinc/06/01/82/1134060182.db2.gz FJUIFMHGLMFZKU-UHFFFAOYSA-N 0 0 286.306 3.576 20 10 CHCDRN COc1cccc(Nc2ccc3c(c2)OCCN3)c1C ZINC001209766262 1134061046 /nfs/dbraw/zinc/06/10/46/1134061046.db2.gz LLSLSAAEWALLAT-UHFFFAOYSA-N 0 0 270.332 3.552 20 10 CHCDRN Cc1cc(F)cc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209768340 1134063969 /nfs/dbraw/zinc/06/39/69/1134063969.db2.gz YHAAMXZZXQXEMR-UHFFFAOYSA-N 0 0 258.296 3.682 20 10 CHCDRN Nc1ccc(N(c2ccccc2)c2ccnnc2)cc1 ZINC001209962020 1134110661 /nfs/dbraw/zinc/11/06/61/1134110661.db2.gz VUIWKKXCFPGSKD-UHFFFAOYSA-N 0 0 262.316 3.529 20 10 CHCDRN Oc1c(Cl)cccc1Nc1c(Cl)cncc1Cl ZINC001210216111 1134168517 /nfs/dbraw/zinc/16/85/17/1134168517.db2.gz CDRMEGYZQJPQBD-UHFFFAOYSA-N 0 0 289.549 3.913 20 10 CHCDRN CCCCOC(=O)c1cccc(N(C)c2ccc(N)cc2)c1 ZINC001211284019 1134403085 /nfs/dbraw/zinc/40/30/85/1134403085.db2.gz AYWLXHIJGABSQN-UHFFFAOYSA-N 0 0 298.386 3.994 20 10 CHCDRN CC(C)Oc1ccc(F)c(F)c1Nc1cccc(O)c1O ZINC001215076777 1134597579 /nfs/dbraw/zinc/59/75/79/1134597579.db2.gz UPMYZVWJRDVIEQ-UHFFFAOYSA-N 0 0 295.285 3.907 20 10 CHCDRN CN(c1ccc(N)cc1)c1ccc(N)cc1C(F)(F)F ZINC001216133948 1134788335 /nfs/dbraw/zinc/78/83/35/1134788335.db2.gz YJNFLCMUBQKNCB-UHFFFAOYSA-N 0 0 281.281 3.638 20 10 CHCDRN COc1cc(Nc2ccc(N)cc2)ccc1OC(C)C ZINC001216247352 1134825829 /nfs/dbraw/zinc/82/58/29/1134825829.db2.gz FBAPFDAXTVNYBF-UHFFFAOYSA-N 0 0 272.348 3.808 20 10 CHCDRN Oc1cccc(Nc2ccc(F)c3ccoc32)c1O ZINC001216297311 1134840925 /nfs/dbraw/zinc/84/09/25/1134840925.db2.gz HGASXAVNUVVDOJ-UHFFFAOYSA-N 0 0 259.236 3.727 20 10 CHCDRN Nc1ccc(N(CCO)c2cccc(C3CCC3)c2)cc1 ZINC001216340949 1134860070 /nfs/dbraw/zinc/86/00/70/1134860070.db2.gz INCPBVYOYBNOEL-UHFFFAOYSA-N 0 0 282.387 3.667 20 10 CHCDRN Oc1cccc(Nc2cc(F)c(F)cc2Cl)c1O ZINC001216371234 1134870793 /nfs/dbraw/zinc/87/07/93/1134870793.db2.gz HHSSBBCHFGPHHX-UHFFFAOYSA-N 0 0 271.650 3.773 20 10 CHCDRN C=Cc1ccccc1NC(=O)N[C@H](C)c1ccccc1O ZINC001219815258 1135140999 /nfs/dbraw/zinc/14/09/99/1135140999.db2.gz RZQGSUPZIMHCEC-GFCCVEGCSA-N 0 0 282.343 3.918 20 10 CHCDRN CC(C)(C)c1cnc(SCc2ccon2)s1 ZINC000163997860 261337145 /nfs/dbraw/zinc/33/71/45/261337145.db2.gz CFUSQOVQWDMWKH-UHFFFAOYSA-N 0 0 254.380 3.721 20 10 CHCDRN CC[C@H](Nc1cc(OC)cc(OC)c1)c1ccccc1O ZINC000019909671 170921361 /nfs/dbraw/zinc/92/13/61/170921361.db2.gz HXQCDCJECIHOKD-INIZCTEOSA-N 0 0 287.359 3.973 20 10 CHCDRN Cc1ccc(NC(=O)Nc2ccc(N)cc2)cc1Cl ZINC000035407594 172178427 /nfs/dbraw/zinc/17/84/27/172178427.db2.gz LLDZJUBDHGNDGR-UHFFFAOYSA-N 0 0 275.739 3.875 20 10 CHCDRN Clc1cc(NCCCSc2nccs2)ccn1 ZINC000301752449 227664777 /nfs/dbraw/zinc/66/47/77/227664777.db2.gz BMAMDBUZVQBNLW-UHFFFAOYSA-N 0 0 285.825 3.786 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNc1sccc1[N+](=O)[O-] ZINC000302031160 227764806 /nfs/dbraw/zinc/76/48/06/227764806.db2.gz SDOVYXSULAACPB-UHFFFAOYSA-N 0 0 291.376 3.643 20 10 CHCDRN COCC[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000081709684 260184660 /nfs/dbraw/zinc/18/46/60/260184660.db2.gz NLFSGZKLPMSMSR-OLZOCXBDSA-N 0 0 273.376 3.621 20 10 CHCDRN CCS[C@@H](C)c1noc(CSc2nccs2)n1 ZINC000154643756 261093800 /nfs/dbraw/zinc/09/38/00/261093800.db2.gz PSXSRYBPNSEEAM-ZETCQYMHSA-N 0 0 287.435 3.633 20 10 CHCDRN CCc1ccc(C(C)(C)C(=O)Nc2ccc(N)cc2)cc1 ZINC000160390016 261212543 /nfs/dbraw/zinc/21/25/43/261212543.db2.gz USZXECWZNKPREE-UHFFFAOYSA-N 0 0 282.387 3.748 20 10 CHCDRN C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000163710170 261326261 /nfs/dbraw/zinc/32/62/61/261326261.db2.gz RUQIQFWYRSCQIW-HNNXBMFYSA-N 0 0 296.414 3.515 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)C1(C)CCCCCC1 ZINC000182157650 261926794 /nfs/dbraw/zinc/92/67/94/261926794.db2.gz GTXDPBYIZFWEHH-UHFFFAOYSA-N 0 0 275.392 3.711 20 10 CHCDRN C[C@H]([NH2+]CCC[C@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000183981897 262003955 /nfs/dbraw/zinc/00/39/55/262003955.db2.gz HXOQJUXIYSAZJP-GXTWGEPZSA-N 0 0 281.371 3.531 20 10 CHCDRN CCOc1ccccc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185103503 262041367 /nfs/dbraw/zinc/04/13/67/262041367.db2.gz PBOAFEJTPWCAPI-GFCCVEGCSA-N 0 0 289.350 3.781 20 10 CHCDRN CC[C@H](COC)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185504348 262057102 /nfs/dbraw/zinc/05/71/02/262057102.db2.gz DTPNILHMVXPALR-RKDXNWHRSA-N 0 0 292.206 3.775 20 10 CHCDRN COC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000186034437 262076181 /nfs/dbraw/zinc/07/61/81/262076181.db2.gz HYJCWCFVHQXHNA-WBMJQRKESA-N 0 0 289.350 3.570 20 10 CHCDRN C[C@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(F)cc1[O-] ZINC000186117345 262080242 /nfs/dbraw/zinc/08/02/42/262080242.db2.gz BASCHGWMZRFEFI-VIFPVBQESA-N 0 0 292.379 3.716 20 10 CHCDRN C[C@@H](Nc1ccc(CCO)cc1)c1cc(Cl)ccc1O ZINC000186352258 262090664 /nfs/dbraw/zinc/09/06/64/262090664.db2.gz CVWPFCZYEXKJRZ-LLVKDONJSA-N 0 0 291.778 3.754 20 10 CHCDRN COc1ccc(N(C)Cc2cn(C(C)C)nc2C)cc1F ZINC000281622707 263070894 /nfs/dbraw/zinc/07/08/94/263070894.db2.gz NSMXCFLWVLZFKQ-UHFFFAOYSA-N 0 0 291.370 3.557 20 10 CHCDRN CCC1(C(=O)N(C)Cc2ccccc2O)CCCCC1 ZINC000184206858 327825288 /nfs/dbraw/zinc/82/52/88/327825288.db2.gz YVNVZBXZBBHZDF-UHFFFAOYSA-N 0 0 275.392 3.711 20 10 CHCDRN CC[C@H](O)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185802345 327845468 /nfs/dbraw/zinc/84/54/68/327845468.db2.gz RZKLFMXPGDQSOK-BDAKNGLRSA-N 0 0 292.206 3.511 20 10 CHCDRN CC[C@@H]([NH2+]CC1(CCOC)CC1)c1cccc(Cl)c1[O-] ZINC000287859354 328252049 /nfs/dbraw/zinc/25/20/49/328252049.db2.gz XFOMOYUBUDJCBD-CQSZACIVSA-N 0 0 297.826 3.903 20 10 CHCDRN Cc1cccc([N+](=O)[O-])c1NCc1ccc(N(C)C)cc1 ZINC000003899187 326808211 /nfs/dbraw/zinc/80/82/11/326808211.db2.gz RZKFADICRLBNLG-UHFFFAOYSA-N 0 0 285.347 3.581 20 10 CHCDRN COCCCCOc1ccc2c(c1)c(C)c(C)n2C ZINC000421196608 329807331 /nfs/dbraw/zinc/80/73/31/329807331.db2.gz JJKNXPUPMCJNTD-UHFFFAOYSA-N 0 0 261.365 3.601 20 10 CHCDRN Cc1ncccc1C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000527987250 330298859 /nfs/dbraw/zinc/29/88/59/330298859.db2.gz NKDQGZFBSMASBR-AWEZNQCLSA-N 0 0 296.414 3.825 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C(C)C)C1CC1 ZINC000472223005 331532054 /nfs/dbraw/zinc/53/20/54/331532054.db2.gz RRSIFQIWZBXCKZ-UHFFFAOYSA-N 0 0 299.418 3.569 20 10 CHCDRN CCC1(NC(=O)NCc2c(C)c3ccccc3n2C)CCC1 ZINC000472242351 331533357 /nfs/dbraw/zinc/53/33/57/331533357.db2.gz OCOAFDXSJAYACV-UHFFFAOYSA-N 0 0 299.418 3.619 20 10 CHCDRN Cc1ccccc1C[C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC000528823825 333460499 /nfs/dbraw/zinc/46/04/99/333460499.db2.gz HDCIBPWQRBSEBF-OAHLLOKOSA-N 0 0 297.398 3.538 20 10 CHCDRN CCCOc1ccccc1NCc1cccc(OC)c1O ZINC000036955576 520482686 /nfs/dbraw/zinc/48/26/86/520482686.db2.gz UQCUOZPVRWNUBY-UHFFFAOYSA-N 0 0 287.359 3.802 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)c1cccs1 ZINC000282553556 520548066 /nfs/dbraw/zinc/54/80/66/520548066.db2.gz SRFVUGXKUYNWHD-UHFFFAOYSA-N 0 0 289.400 3.896 20 10 CHCDRN CCOc1cc(N[C@H](C)c2ccccc2O)ccc1OC ZINC000037091850 520763572 /nfs/dbraw/zinc/76/35/72/520763572.db2.gz SGFKHTLEMYFEAB-GFCCVEGCSA-N 0 0 287.359 3.973 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(C)oc1C ZINC000299598581 521690184 /nfs/dbraw/zinc/69/01/84/521690184.db2.gz FZGJORLUKDVVMR-UHFFFAOYSA-N 0 0 287.359 3.654 20 10 CHCDRN CC[C@@H](CC(=O)NCc1ccccc1O)c1ccccc1 ZINC000264123625 522477923 /nfs/dbraw/zinc/47/79/23/522477923.db2.gz LKHGQHIGVZVFRP-AWEZNQCLSA-N 0 0 283.371 3.592 20 10 CHCDRN COc1cc(N[C@@H](C)c2ccc(F)cc2O)cc(OC)c1 ZINC000062744804 522758852 /nfs/dbraw/zinc/75/88/52/522758852.db2.gz WYSUPLGNLJETED-JTQLQIEISA-N 0 0 291.322 3.722 20 10 CHCDRN COCc1cccc(N[C@@H](C)c2cc(F)ccc2O)c1 ZINC000094617145 523078024 /nfs/dbraw/zinc/07/80/24/523078024.db2.gz DMRUYWJRXHSMCQ-NSHDSACASA-N 0 0 275.323 3.851 20 10 CHCDRN CCc1cccc(CC)c1NC(=O)NCc1ccccc1O ZINC000299546689 524068773 /nfs/dbraw/zinc/06/87/73/524068773.db2.gz WOBACBZDKSJCCO-UHFFFAOYSA-N 0 0 298.386 3.839 20 10 CHCDRN COc1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000062747711 524093038 /nfs/dbraw/zinc/09/30/38/524093038.db2.gz BPUPEQRGQUJLDO-NEPJUHHUSA-N 0 0 289.350 3.952 20 10 CHCDRN C[C@H](CC1CCCCC1)C(=O)Nc1ccc(N)cc1 ZINC000237373913 524112696 /nfs/dbraw/zinc/11/26/96/524112696.db2.gz DBYHHQXXWWLMQH-GFCCVEGCSA-N 0 0 260.381 3.814 20 10 CHCDRN C[C@@H]1CCc2sc(C(=O)Nc3ccc(N)cc3)cc2C1 ZINC000237550863 524734876 /nfs/dbraw/zinc/73/48/76/524734876.db2.gz QPZYZHYNULTCIO-SNVBAGLBSA-N 0 0 286.400 3.707 20 10 CHCDRN COc1ccc(O)c(CNc2ccc(OC(C)C)cc2)c1 ZINC000020472706 524756078 /nfs/dbraw/zinc/75/60/78/524756078.db2.gz VQRQVVZBYQIFJS-UHFFFAOYSA-N 0 0 287.359 3.800 20 10 CHCDRN COc1ccc(O)c([C@H](C)Nc2ccc(C)nc2C)c1 ZINC000094664243 524774498 /nfs/dbraw/zinc/77/44/98/524774498.db2.gz JMGBKXPTKPHDPY-NSHDSACASA-N 0 0 272.348 3.586 20 10 CHCDRN Cc1cc(O)c(CNc2cc(C(C)C)on2)cc1C ZINC000272264641 525322362 /nfs/dbraw/zinc/32/23/62/525322362.db2.gz RAKNOXNSBPRXOC-UHFFFAOYSA-N 0 0 260.337 3.733 20 10 CHCDRN Cc1ccc(O)c([C@H](C)Nc2ccc3c(c2)CCO3)c1 ZINC000037103956 525364561 /nfs/dbraw/zinc/36/45/61/525364561.db2.gz RAWWGDKYEZTMSH-LBPRGKRZSA-N 0 0 269.344 3.809 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1ccc(F)cc1[O-] ZINC000062744688 525613605 /nfs/dbraw/zinc/61/36/05/525613605.db2.gz WUQYACQROYVIBZ-NWDGAFQWSA-N 0 0 259.324 3.943 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCSC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278631680 525627418 /nfs/dbraw/zinc/62/74/18/525627418.db2.gz HAAVQWVGNYHIBF-YUMQZZPRSA-N 0 0 292.231 3.855 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@H+](Cc1cccnc1)C1CC1 ZINC000290427403 526327038 /nfs/dbraw/zinc/32/70/38/526327038.db2.gz LDZIFAQOYQSRQY-UHFFFAOYSA-N 0 0 288.778 3.605 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SCC(=O)C1(C)CC1 ZINC000279939440 527016914 /nfs/dbraw/zinc/01/69/14/527016914.db2.gz LZKUQGCBWWRBCO-UHFFFAOYSA-N 0 0 286.400 3.548 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SCC(=O)C1CCC1 ZINC000278184608 527017701 /nfs/dbraw/zinc/01/77/01/527017701.db2.gz QYNPGHVEDXSKHT-UHFFFAOYSA-N 0 0 286.400 3.548 20 10 CHCDRN Cc1nn(C)c(C)c1N[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273369952 527651510 /nfs/dbraw/zinc/65/15/10/527651510.db2.gz ANKBAXFZILTHOP-LLVKDONJSA-N 0 0 299.418 3.794 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001592706942 979181458 /nfs/dbraw/zinc/18/14/58/979181458.db2.gz OXYMNVWPWSBZEV-CHWSQXEVSA-N 0 0 299.370 3.545 20 10 CHCDRN CCC[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1ccccc1O ZINC000836691838 979246604 /nfs/dbraw/zinc/24/66/04/979246604.db2.gz SNZGAJHKEYSYBD-UHFFFAOYSA-N 0 0 299.370 3.503 20 10 CHCDRN CCCC[C@H]([NH2+]Cc1ccc(OCCC)c(C)c1)C(=O)[O-] ZINC000871877182 979980267 /nfs/dbraw/zinc/98/02/67/979980267.db2.gz AFDMHSMFLNAQQQ-HNNXBMFYSA-N 0 0 293.407 3.517 20 10 CHCDRN CCC[C@H](NC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000732258578 1121913587 /nfs/dbraw/zinc/91/35/87/1121913587.db2.gz VGZLDVQEKVENPA-ZDUSSCGKSA-N 0 0 275.373 3.725 20 10 CHCDRN CCCc1cccc(/C=C2\SC(=S)N(CC)C2=O)c1 ZINC000773905714 1122040953 /nfs/dbraw/zinc/04/09/53/1122040953.db2.gz CEEGVKHSVMACAJ-RAXLEYEMSA-N 0 0 291.441 3.860 20 10 CHCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC001182356873 1122147350 /nfs/dbraw/zinc/14/73/50/1122147350.db2.gz PTPACVKVJOFRSB-LLVKDONJSA-N 0 0 283.774 3.807 20 10 CHCDRN CCc1cc(Cl)cnc1NCc1cc(F)ccc1O ZINC001183346563 1122220566 /nfs/dbraw/zinc/22/05/66/1122220566.db2.gz YKNQRGFTCSPQFR-UHFFFAOYSA-N 0 0 280.730 3.754 20 10 CHCDRN CN(C(=O)C1=CC(=O)CS1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000842272838 1132414057 /nfs/dbraw/zinc/41/40/57/1132414057.db2.gz SQIIBXAKNWTAFG-NWDGAFQWSA-N 0 0 281.421 3.741 20 10 CHCDRN CC[N@H+](Cc1cccc(C(F)(F)F)c1[O-])C(C)C ZINC001233415830 1132619014 /nfs/dbraw/zinc/61/90/14/1132619014.db2.gz JQIKGWHOJOOCTE-UHFFFAOYSA-N 0 0 261.287 3.641 20 10 CHCDRN Cc1ccccc1[C@H](C)CC(=O)N(C)Cc1ccccc1O ZINC000116443172 1125510816 /nfs/dbraw/zinc/51/08/16/1125510816.db2.gz ZTCYYIXZYXTPIC-OAHLLOKOSA-N 0 0 297.398 3.853 20 10 CHCDRN COc1ccc(NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000237341333 1125523571 /nfs/dbraw/zinc/52/35/71/1125523571.db2.gz SYUHODRCOHHVAK-UHFFFAOYSA-N 0 0 297.402 3.693 20 10 CHCDRN COCCC(C)(C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841752498 1125584631 /nfs/dbraw/zinc/58/46/31/1125584631.db2.gz PBCCZSQRBWFRSE-LLVKDONJSA-N 0 0 285.815 3.759 20 10 CHCDRN CCOc1ccc(NCc2cc(OC)ccc2O)cc1F ZINC000135750184 1125596904 /nfs/dbraw/zinc/59/69/04/1125596904.db2.gz RENOPRWWJVQRPN-UHFFFAOYSA-N 0 0 291.322 3.551 20 10 CHCDRN OCCCc1cccc(NCc2cccc(Cl)c2O)c1 ZINC000136265599 1125624664 /nfs/dbraw/zinc/62/46/64/1125624664.db2.gz OXBGKQBJXAETBK-UHFFFAOYSA-N 0 0 291.778 3.583 20 10 CHCDRN CN(c1ccc(N)cc1)c1cccc(OC(F)F)c1 ZINC001212065348 1125677609 /nfs/dbraw/zinc/67/76/09/1125677609.db2.gz ZCTKRHKUUJLSBS-UHFFFAOYSA-N 0 0 264.275 3.638 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1c([O-])cccc1F ZINC000886494938 1125680329 /nfs/dbraw/zinc/68/03/29/1125680329.db2.gz AGOKGFJJKTUSIG-XHDPSFHLSA-N 0 0 271.335 3.869 20 10 CHCDRN CCOc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886512868 1125682817 /nfs/dbraw/zinc/68/28/17/1125682817.db2.gz ORXXLIBUAJSGJP-GFCCVEGCSA-N 0 0 289.350 3.781 20 10 CHCDRN C[C@@H](Nc1cnn(C(C)(C)C)c1)c1c(O)cccc1F ZINC000886578163 1125692983 /nfs/dbraw/zinc/69/29/83/1125692983.db2.gz MFDBQEMTOYOWFW-SNVBAGLBSA-N 0 0 277.343 3.656 20 10 CHCDRN CC(C)Cn1cc(N[C@@H](C)c2c(O)cccc2F)cn1 ZINC000886578296 1125692990 /nfs/dbraw/zinc/69/29/90/1125692990.db2.gz QYPKHSPVTGYHFM-NSHDSACASA-N 0 0 277.343 3.557 20 10 CHCDRN Cc1csc([C@@H](C)C[NH2+][C@@H](C)c2c([O-])cccc2F)n1 ZINC000886587925 1125694418 /nfs/dbraw/zinc/69/44/18/1125694418.db2.gz IITCVSVEEOLSSR-ONGXEEELSA-N 0 0 294.395 3.751 20 10 CHCDRN C[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1c([O-])cccc1F ZINC000886590097 1125695454 /nfs/dbraw/zinc/69/54/54/1125695454.db2.gz NTPONJUCHPPKBD-STQMWFEESA-N 0 0 281.371 3.531 20 10 CHCDRN C[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1c([O-])cccc1F ZINC000886609674 1125696637 /nfs/dbraw/zinc/69/66/37/1125696637.db2.gz ZBTPNSZVDOALAA-QMMMGPOBSA-N 0 0 277.261 3.524 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1c([O-])cccc1F ZINC000886605766 1125696680 /nfs/dbraw/zinc/69/66/80/1125696680.db2.gz YDPADUFDGCQDGM-UWVGGRQHSA-N 0 0 273.298 3.617 20 10 CHCDRN Cc1cc(Cl)nc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886606670 1125696776 /nfs/dbraw/zinc/69/67/76/1125696776.db2.gz CZCMMJAZPLLRTQ-JTQLQIEISA-N 0 0 294.757 3.739 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1ccc(F)cc1[O-] ZINC000886731122 1125714882 /nfs/dbraw/zinc/71/48/82/1125714882.db2.gz VSJFDMYTVHZVPX-GXTWGEPZSA-N 0 0 293.382 3.531 20 10 CHCDRN CC[C@H]([NH2+]CCF)c1cc(Cl)cc(Cl)c1[O-] ZINC000286849172 1125752383 /nfs/dbraw/zinc/75/23/83/1125752383.db2.gz AIBOQFSQOGGEMG-JTQLQIEISA-N 0 0 266.143 3.709 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826538527 1125759663 /nfs/dbraw/zinc/75/96/63/1125759663.db2.gz FHDRHAAQLGBFLG-ZANVPECISA-N 0 0 269.747 3.559 20 10 CHCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CCC2(CC2)CC1 ZINC000766212186 1129337855 /nfs/dbraw/zinc/33/78/55/1129337855.db2.gz BMWBDZKULHPFEU-UHFFFAOYSA-N 0 0 283.774 3.997 20 10 CHCDRN CN(Cc1ccccc1O)Cc1ccc(Cl)nc1Cl ZINC000788020293 1130172037 /nfs/dbraw/zinc/17/20/37/1130172037.db2.gz PJAMSHXOFAGBIW-UHFFFAOYSA-N 0 0 297.185 3.726 20 10 CHCDRN COc1ccc(CNc2ncc(C(C)C)s2)c(O)c1 ZINC000795285971 1129209337 /nfs/dbraw/zinc/20/93/37/1129209337.db2.gz WZCVKHCZNIHKAW-UHFFFAOYSA-N 0 0 278.377 3.593 20 10 CHCDRN Cc1ccc([C@H](C)N(C)C(=O)c2ccc(C)c(O)c2O)cc1 ZINC000181871068 1126862785 /nfs/dbraw/zinc/86/27/85/1126862785.db2.gz IXAAOXNIGDUBLW-ZDUSSCGKSA-N 0 0 299.370 3.548 20 10 CHCDRN CCCCC[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000042993680 1126881806 /nfs/dbraw/zinc/88/18/06/1126881806.db2.gz WCPOAVPSZMEZCF-ZDUSSCGKSA-N 0 0 278.396 3.502 20 10 CHCDRN COc1ccc(F)cc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000187596989 1126912248 /nfs/dbraw/zinc/91/22/48/1126912248.db2.gz FYNRXXCPMYYWGJ-JTQLQIEISA-N 0 0 293.313 3.530 20 10 CHCDRN CCc1cnc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])s1 ZINC000187738816 1126913947 /nfs/dbraw/zinc/91/39/47/1126913947.db2.gz GEQRZGBCSISNPX-QMMMGPOBSA-N 0 0 298.358 3.540 20 10 CHCDRN C[C@@H]([NH2+]C[C@H](C)c1nccs1)c1ccc(F)c(F)c1[O-] ZINC000187916427 1126916894 /nfs/dbraw/zinc/91/68/94/1126916894.db2.gz QOQXQQIJRLTWIU-DTWKUNHWSA-N 0 0 298.358 3.581 20 10 CHCDRN Cc1cc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])ccc1F ZINC000191190266 1126948647 /nfs/dbraw/zinc/94/86/47/1126948647.db2.gz KMOHJOWMPBNXGY-JTQLQIEISA-N 0 0 295.304 3.969 20 10 CHCDRN C[C@H]([NH2+]CCc1ccsc1)c1ccc(F)c(F)c1[O-] ZINC000191192784 1126949358 /nfs/dbraw/zinc/94/93/58/1126949358.db2.gz LJTVFMKCVMVUEX-VIFPVBQESA-N 0 0 283.343 3.625 20 10 CHCDRN CN(c1ccc(CNCc2cocn2)cc1)C1CCCCC1 ZINC000192299657 1126960292 /nfs/dbraw/zinc/96/02/92/1126960292.db2.gz ISICMOZUOCHQRJ-UHFFFAOYSA-N 0 0 299.418 3.733 20 10 CHCDRN C[C@H]([NH2+]Cc1ccc(Cl)o1)c1ccc(N(C)C)cc1 ZINC000698115831 1127083138 /nfs/dbraw/zinc/08/31/38/1127083138.db2.gz JOOBFNGCOITHKS-NSHDSACASA-N 0 0 278.783 3.850 20 10 CHCDRN Oc1ccc(F)c(Cl)c1C[N@@H+]1CCC2(CCC2)C1 ZINC001237126979 1131056930 /nfs/dbraw/zinc/05/69/30/1131056930.db2.gz RHWZIKKZSROMCJ-UHFFFAOYSA-N 0 0 269.747 3.561 20 10 CHCDRN C[C@@H]1C[C@H](C)C[N@@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237125456 1131056969 /nfs/dbraw/zinc/05/69/69/1131056969.db2.gz CAIZAZIZLJAFNK-AOOOYVTPSA-N 0 0 271.763 3.663 20 10 CHCDRN O=C(NCc1ccccc1O)c1ccc(Cl)cc1Cl ZINC000164072859 1127152292 /nfs/dbraw/zinc/15/22/92/1127152292.db2.gz XIAITFQWHVQDTP-UHFFFAOYSA-N 0 0 296.153 3.629 20 10 CHCDRN CCc1nc(CN[C@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000156419529 1127155401 /nfs/dbraw/zinc/15/54/01/1127155401.db2.gz ISEYBTWTQQYZGH-GFCCVEGCSA-N 0 0 289.448 3.622 20 10 CHCDRN CCC(CC)[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC001237621527 1131118577 /nfs/dbraw/zinc/11/85/77/1131118577.db2.gz BQNRAFWUTXWDKQ-UHFFFAOYSA-N 0 0 259.752 3.805 20 10 CHCDRN CCC[NH+](CCC)Cc1cc(F)cc(Cl)c1[O-] ZINC001237809728 1131143136 /nfs/dbraw/zinc/14/31/36/1131143136.db2.gz LBOIMGUGFZKPMW-UHFFFAOYSA-N 0 0 259.752 3.807 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1cccnc1)c1ccc(F)cc1[O-] ZINC000285519470 1127235044 /nfs/dbraw/zinc/23/50/44/1127235044.db2.gz DXEHUFSRQBXGIT-ABAIWWIYSA-N 0 0 274.339 3.728 20 10 CHCDRN C[C@H]1C[C@H](C)C[NH+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237948633 1131155438 /nfs/dbraw/zinc/15/54/38/1131155438.db2.gz FSBHUIWINRWOST-UWVGGRQHSA-N 0 0 271.763 3.663 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000285860711 1127245554 /nfs/dbraw/zinc/24/55/54/1127245554.db2.gz YJKNNTSXHREFKV-OAHLLOKOSA-N 0 0 259.324 3.772 20 10 CHCDRN CC[C@H]([NH2+]CCCC(F)(F)F)c1ccc(F)cc1[O-] ZINC000286003662 1127252603 /nfs/dbraw/zinc/25/26/03/1127252603.db2.gz IVALOATVRGELEH-NSHDSACASA-N 0 0 279.277 3.915 20 10 CHCDRN CCOCCC[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000287043430 1127284140 /nfs/dbraw/zinc/28/41/40/1127284140.db2.gz SFYWKLFOMZTNAS-CYBMUJFWSA-N 0 0 271.788 3.513 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)CSC)c1cccc(Cl)c1[O-] ZINC000287819399 1127313640 /nfs/dbraw/zinc/31/36/40/1127313640.db2.gz VCKSKSJLNVWLIO-CABZTGNLSA-N 0 0 273.829 3.838 20 10 CHCDRN CN(c1ccc(N)cc1)c1cccc(OCC(F)(F)F)c1 ZINC001212173388 1127381434 /nfs/dbraw/zinc/38/14/34/1127381434.db2.gz GQJAYZYZYUGVPY-UHFFFAOYSA-N 0 0 296.292 3.978 20 10 CHCDRN CC(=O)Nc1ccc(NCc2cccc(C)c2O)cc1C ZINC000158052252 1127415535 /nfs/dbraw/zinc/41/55/35/1127415535.db2.gz IYXRBXIOCDTPKG-UHFFFAOYSA-N 0 0 284.359 3.580 20 10 CHCDRN COc1ccc(NCc2cc(F)ccc2O)cc1Cl ZINC000226580564 1127411456 /nfs/dbraw/zinc/41/14/56/1127411456.db2.gz HKKYRTHJTFAZMF-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000158077308 1127436967 /nfs/dbraw/zinc/43/69/67/1127436967.db2.gz AQFDBMCLLKKBHS-OAHLLOKOSA-N 0 0 287.790 3.693 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(Cl)o2)cc1OC ZINC000761222797 1127546683 /nfs/dbraw/zinc/54/66/83/1127546683.db2.gz WEGBHHJPPZRQTE-UHFFFAOYSA-N 0 0 281.739 3.587 20 10 CHCDRN COc1ccc(N(C)[C@H](C)Cc2ccsc2)cc1OC ZINC000761222911 1127547573 /nfs/dbraw/zinc/54/75/73/1127547573.db2.gz YCFBHRXDGNLXOG-GFCCVEGCSA-N 0 0 291.416 3.833 20 10 CHCDRN CSc1ccc(N(C)Cc2ccccc2O)cc1 ZINC000761222095 1127548898 /nfs/dbraw/zinc/54/88/98/1127548898.db2.gz HVTSRGDURXOYME-UHFFFAOYSA-N 0 0 259.374 3.751 20 10 CHCDRN CCN(CC)c1ccc(CN[C@@H]2C[C@H](C)n3ccnc32)cc1 ZINC000295210667 1127627819 /nfs/dbraw/zinc/62/78/19/1127627819.db2.gz LMLPEQCBPQHOIZ-WMLDXEAASA-N 0 0 298.434 3.525 20 10 CHCDRN CC[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298339342 1127719831 /nfs/dbraw/zinc/71/98/31/1127719831.db2.gz IZQCRPXZPROSMU-AWEZNQCLSA-N 0 0 276.424 3.536 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000230407935 1127752230 /nfs/dbraw/zinc/75/22/30/1127752230.db2.gz IXDZFOJUWGSKKR-GRYCIOLGSA-N 0 0 251.345 3.618 20 10 CHCDRN C[C@@H](Nc1ccc(F)c(F)c1)c1ccc(F)cc1O ZINC000062744855 1127772595 /nfs/dbraw/zinc/77/25/95/1127772595.db2.gz AGGOYKPONYPZMT-MRVPVSSYSA-N 0 0 267.250 3.983 20 10 CHCDRN COc1ccccc1N[C@H](C)c1ccc(F)cc1O ZINC000062744737 1127772316 /nfs/dbraw/zinc/77/23/16/1127772316.db2.gz IEAXVQIMMPOLNL-SNVBAGLBSA-N 0 0 261.296 3.713 20 10 CHCDRN CC(=O)Nc1ccc(N[C@H](C)c2ccc(F)cc2O)cc1 ZINC000062744715 1127772351 /nfs/dbraw/zinc/77/23/51/1127772351.db2.gz RIOFTPNJVZGGRJ-SNVBAGLBSA-N 0 0 288.322 3.663 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)Cc1cccs1)c1ccc(F)cc1[O-] ZINC000062746782 1127774170 /nfs/dbraw/zinc/77/41/70/1127774170.db2.gz FLSSAROSITXHSS-WDEREUQCSA-N 0 0 279.380 3.875 20 10 CHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H]1C ZINC000173133361 1127805173 /nfs/dbraw/zinc/80/51/73/1127805173.db2.gz SUADHEXXDKATLW-LLVKDONJSA-N 0 0 288.416 3.780 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SCCOCC1CC1 ZINC000173984107 1127864948 /nfs/dbraw/zinc/86/49/48/1127864948.db2.gz WRQKWLANQOZKMZ-UHFFFAOYSA-N 0 0 288.416 3.606 20 10 CHCDRN Oc1cc(C(F)(F)F)ccc1CN1CCCC(F)(F)C1 ZINC001233451207 1127966505 /nfs/dbraw/zinc/96/65/05/1127966505.db2.gz BQWGSTOCPCSFCJ-UHFFFAOYSA-N 0 0 295.251 3.642 20 10 CHCDRN CC[C@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000134906935 1128091830 /nfs/dbraw/zinc/09/18/30/1128091830.db2.gz XJCJDHKTRNNALZ-JGVFFNPUSA-N 0 0 290.176 3.743 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(N(C)C)cc2)cc1F ZINC000780779700 1128099297 /nfs/dbraw/zinc/09/92/97/1128099297.db2.gz UQNZZJIZGVSNSY-UHFFFAOYSA-N 0 0 288.366 3.537 20 10 CHCDRN c1csc(Sc2nc(-c3ccccc3)c[nH]2)n1 ZINC000914862420 1128255798 /nfs/dbraw/zinc/25/57/98/1128255798.db2.gz GGJRJYRVHXGIBA-UHFFFAOYSA-N 0 0 259.359 3.684 20 10 CHCDRN CC(C)CCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000914505816 1128201004 /nfs/dbraw/zinc/20/10/04/1128201004.db2.gz SFVNVDXGNXTMQU-UHFFFAOYSA-N 0 0 290.451 3.926 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)/C=C\c1ccccc1 ZINC000761749144 1128203681 /nfs/dbraw/zinc/20/36/81/1128203681.db2.gz AEXJOKNYUKDIHE-SEYXRHQNSA-N 0 0 295.382 3.844 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)c1ccc(F)cc1[O-] ZINC000927101897 1128217372 /nfs/dbraw/zinc/21/73/72/1128217372.db2.gz PTAPCRWQLQAHDI-VXGBXAGGSA-N 0 0 295.398 3.776 20 10 CHCDRN CCC[C@@H](C)[NH2+]Cc1cc(Cl)c2cccnc2c1[O-] ZINC001257308419 1128218206 /nfs/dbraw/zinc/21/82/06/1128218206.db2.gz RWVIQTIJWPRBFB-SNVBAGLBSA-N 0 0 278.783 3.872 20 10 CHCDRN C[C@@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1c([O-])cccc1F ZINC000927124003 1128219744 /nfs/dbraw/zinc/21/97/44/1128219744.db2.gz GOBNLSQAUMPQKU-OLZOCXBDSA-N 0 0 293.382 3.674 20 10 CHCDRN C[C@H](NC(=O)C[C@H]1C=CCCC1)c1ccc(N(C)C)cc1 ZINC000777793940 1128277736 /nfs/dbraw/zinc/27/77/36/1128277736.db2.gz RUHAZTLXHNMSLE-GJZGRUSLSA-N 0 0 286.419 3.676 20 10 CHCDRN Cc1cc(-c2nc([C@@H]3C[C@H]3C)no2)c(C)n1-c1ccccn1 ZINC000762253244 1128287235 /nfs/dbraw/zinc/28/72/35/1128287235.db2.gz KWDACNROSISEOX-ZWNOBZJWSA-N 0 0 294.358 3.663 20 10 CHCDRN Cl/C=C/CN(C/C=C/Cl)c1ccc2c(c1)CCO2 ZINC000915261233 1128298022 /nfs/dbraw/zinc/29/80/22/1128298022.db2.gz GZYLFVKPKMQBGT-LWBLAMGCSA-N 0 0 284.186 3.933 20 10 CHCDRN O=C(Nc1ccc(C2CC2)cc1)N1Cc2cccc(O)c2C1 ZINC000930681234 1128331273 /nfs/dbraw/zinc/33/12/73/1128331273.db2.gz UOZYGHBJKFSNKS-UHFFFAOYSA-N 0 0 294.354 3.817 20 10 CHCDRN CC(C)(C)/C=C/C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000171772560 1128363496 /nfs/dbraw/zinc/36/34/96/1128363496.db2.gz CPWNPKSXYNFMSA-ZHACJKMWSA-N 0 0 286.419 3.505 20 10 CHCDRN CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001202779140 1128560886 /nfs/dbraw/zinc/56/08/86/1128560886.db2.gz RSGYIFIUFQMXNI-JSGCOSHPSA-N 0 0 283.362 3.975 20 10 CHCDRN COc1ccc(N(Cc2scnc2C)CC2CC2)cc1 ZINC000831594686 1128565111 /nfs/dbraw/zinc/56/51/11/1128565111.db2.gz YYWXAZXHULEUKL-UHFFFAOYSA-N 0 0 288.416 3.877 20 10 CHCDRN CCC/C(C)=C/C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000920222025 1128673753 /nfs/dbraw/zinc/67/37/53/1128673753.db2.gz JVLLKQCUQYWEGS-FYWRMAATSA-N 0 0 288.435 3.895 20 10 CHCDRN Fc1c(Cl)cccc1NNC(=S)Nc1ccccc1 ZINC000921143360 1128701958 /nfs/dbraw/zinc/70/19/58/1128701958.db2.gz NEBQXGRGHLSKLO-UHFFFAOYSA-N 0 0 295.770 3.793 20 10 CHCDRN Clc1ccc(OCCSc2nccs2)cc1 ZINC000064660133 1128732163 /nfs/dbraw/zinc/73/21/63/1128732163.db2.gz BPOFXNFPBWCVRH-UHFFFAOYSA-N 0 0 271.794 3.968 20 10 CHCDRN CC(C)[C@@H](Sc1nccs1)C(=O)N1CCCC[C@@H]1C ZINC000064661954 1128732269 /nfs/dbraw/zinc/73/22/69/1128732269.db2.gz QAJIHDWAQOUBBQ-NWDGAFQWSA-N 0 0 298.477 3.661 20 10 CHCDRN CC/C=C(\C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000194735167 1117746792 /nfs/dbraw/zinc/74/67/92/1117746792.db2.gz LPYMWHUKCCQUKZ-RIYZIHGNSA-N 0 0 274.408 3.505 20 10 CHCDRN C/C(=C\C(C)(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000185191526 1117780403 /nfs/dbraw/zinc/78/04/03/1117780403.db2.gz VDPKGJFYTJKZPX-ZRDIBKRKSA-N 0 0 292.398 3.500 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SCCCCCCO ZINC000175547934 1128735591 /nfs/dbraw/zinc/73/55/91/1128735591.db2.gz LKHOBQVEILIOKD-UHFFFAOYSA-N 0 0 290.432 3.732 20 10 CHCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccccc2)cc1 ZINC000728218893 1117996300 /nfs/dbraw/zinc/99/63/00/1117996300.db2.gz FEANJRNSTGNUHS-UHFFFAOYSA-N 0 0 296.414 3.805 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000471228199 1118000445 /nfs/dbraw/zinc/00/04/45/1118000445.db2.gz SJPFRUPPEPSVFW-DZGCQCFKSA-N 0 0 298.430 3.929 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000471230362 1118002073 /nfs/dbraw/zinc/00/20/73/1118002073.db2.gz PQACJAGKKUGVSC-HIFRSBDPSA-N 0 0 298.430 3.929 20 10 CHCDRN CCCc1occc1C(=O)NCc1cccc(Cl)c1O ZINC000890759206 1118076852 /nfs/dbraw/zinc/07/68/52/1118076852.db2.gz GQBKNXRVRBWZDL-UHFFFAOYSA-N 0 0 293.750 3.521 20 10 CHCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CCCC2(CC2)C1 ZINC000890760892 1118077579 /nfs/dbraw/zinc/07/75/79/1118077579.db2.gz DALQPCFTBVMCGN-NSHDSACASA-N 0 0 293.794 3.632 20 10 CHCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCCC2(CC2)C1 ZINC000890760891 1118078238 /nfs/dbraw/zinc/07/82/38/1118078238.db2.gz DALQPCFTBVMCGN-LLVKDONJSA-N 0 0 293.794 3.632 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1cccc(Cl)c1[O-] ZINC000295843648 1118085715 /nfs/dbraw/zinc/08/57/15/1118085715.db2.gz AQVPBMAXRNKLPQ-GXFFZTMASA-N 0 0 285.815 3.636 20 10 CHCDRN COc1cc(C)ccc1Nc1ccc2c(c1)OCCN2 ZINC001209766462 1118088542 /nfs/dbraw/zinc/08/85/42/1118088542.db2.gz PWUWWECGIVWKOD-UHFFFAOYSA-N 0 0 270.332 3.552 20 10 CHCDRN C/C(=C\c1cccnc1)C(=O)N(C)c1cc(C)cc(C)c1 ZINC001125333279 1118102304 /nfs/dbraw/zinc/10/23/04/1118102304.db2.gz RKDBSAXRHRVTID-RVDMUPIBSA-N 0 0 280.371 3.765 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)CC(C)C ZINC000765418798 1118151300 /nfs/dbraw/zinc/15/13/00/1118151300.db2.gz ZEQULGBCEVOFHP-OAHLLOKOSA-N 0 0 290.451 3.783 20 10 CHCDRN Oc1cccc(Nc2cc(Cl)c(F)cc2F)c1O ZINC001210112997 1118156753 /nfs/dbraw/zinc/15/67/53/1118156753.db2.gz DWAPAZOLBDXFED-UHFFFAOYSA-N 0 0 271.650 3.773 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H](C)CC(F)F)c1ccc(F)cc1[O-] ZINC000842892327 1118158348 /nfs/dbraw/zinc/15/83/48/1118158348.db2.gz AYRJCWUZAQCUCA-CABZTGNLSA-N 0 0 275.314 3.863 20 10 CHCDRN Cc1cccc(CNc2cc(-n3cccn3)ccc2C)c1O ZINC000188093754 1128760060 /nfs/dbraw/zinc/76/00/60/1128760060.db2.gz SNMALXATKOLKEW-UHFFFAOYSA-N 0 0 293.370 3.807 20 10 CHCDRN CC(C)=C[C@H]1[C@@H](C(=O)NCc2cc(C)ccc2O)C1(C)C ZINC001167290621 1118174276 /nfs/dbraw/zinc/17/42/76/1118174276.db2.gz IHBDTWJNIFAVOP-HOCLYGCPSA-N 0 0 287.403 3.555 20 10 CHCDRN CN(Cc1cc[nH]n1)c1ccc(OCc2ccccc2)cc1 ZINC000188808800 1128765314 /nfs/dbraw/zinc/76/53/14/1128765314.db2.gz UOJDDWCOQPJLKQ-UHFFFAOYSA-N 0 0 293.370 3.625 20 10 CHCDRN CC[C@@H]1CCC[C@@]1(C)C(=O)NCc1cc(C)ccc1O ZINC001167293739 1118184460 /nfs/dbraw/zinc/18/44/60/1118184460.db2.gz QGYOTCLGHIVIAS-RHSMWYFYSA-N 0 0 275.392 3.533 20 10 CHCDRN C[C@H](c1ccccc1)[N@H+](C)Cc1cc(F)ccc1O ZINC000179887390 1128765199 /nfs/dbraw/zinc/76/51/99/1128765199.db2.gz PULPDWBYLMSJHT-GFCCVEGCSA-N 0 0 259.324 3.724 20 10 CHCDRN CN(C)c1ccc(CNc2ccc(F)cc2)cc1F ZINC001648854145 1118260302 /nfs/dbraw/zinc/26/03/02/1118260302.db2.gz JGLUMTJTBXCUEN-UHFFFAOYSA-N 0 0 262.303 3.643 20 10 CHCDRN C/C(=C\C(=O)N[C@H](C)c1ccccc1O)c1ccccc1C ZINC001648889607 1118270727 /nfs/dbraw/zinc/27/07/27/1118270727.db2.gz DKKQFUMCJXRQKF-OKFGHLOFSA-N 0 0 295.382 3.981 20 10 CHCDRN Nc1ccc(N(c2ccccc2)c2cncc(N)c2)cc1 ZINC001210441597 1118282005 /nfs/dbraw/zinc/28/20/05/1118282005.db2.gz MFRVCPSZNOOTDC-UHFFFAOYSA-N 0 0 276.343 3.716 20 10 CHCDRN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c1[O-] ZINC000253061181 1118288491 /nfs/dbraw/zinc/28/84/91/1118288491.db2.gz DUKTWBBIIUXNLI-GHMZBOCLSA-N 0 0 295.810 3.726 20 10 CHCDRN Nc1ccc(Cc2ccccc2Nc2cc[nH]c(=O)c2)cc1 ZINC001212278035 1128774556 /nfs/dbraw/zinc/77/45/56/1128774556.db2.gz JLPDMQTUAYFOPG-UHFFFAOYSA-N 0 0 291.354 3.704 20 10 CHCDRN COc1c(F)cc(N[C@@H](C)c2ccc(F)cc2O)cc1F ZINC000186284655 1118410058 /nfs/dbraw/zinc/41/00/58/1118410058.db2.gz QMVARTBMSIRVQR-QMMMGPOBSA-N 0 0 297.276 3.991 20 10 CHCDRN COC1(CSc2ncc(-c3ccccc3)n2C)CCC1 ZINC000828808669 1118511966 /nfs/dbraw/zinc/51/19/66/1118511966.db2.gz VEGSGIHVPPLOOZ-UHFFFAOYSA-N 0 0 288.416 3.748 20 10 CHCDRN CCc1ccc(C(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000827981595 1118623729 /nfs/dbraw/zinc/62/37/29/1118623729.db2.gz AKBJMILGWODLQL-JTQLQIEISA-N 0 0 275.373 3.507 20 10 CHCDRN C[C@@H]([NH2+][C@H](C1CC1)C1CCC1)c1cc(F)cc(F)c1[O-] ZINC000834913672 1118629830 /nfs/dbraw/zinc/62/98/30/1118629830.db2.gz ZGGJIFHFLMYLGC-PSLIRLAXSA-N 0 0 281.346 3.900 20 10 CHCDRN CN1C(=O)/C(=C\c2cc3ccccc3s2)SC1=S ZINC000255356632 1118663944 /nfs/dbraw/zinc/66/39/44/1118663944.db2.gz RFRQTIDNOVJIFL-YRNVUSSQSA-N 0 0 291.422 3.732 20 10 CHCDRN N#Cc1ccc(COc2ccc(N3CCCC3)cc2)cc1F ZINC000190100182 1128793142 /nfs/dbraw/zinc/79/31/42/1128793142.db2.gz WENKKCFBYRUBAS-UHFFFAOYSA-N 0 0 296.345 3.877 20 10 CHCDRN Oc1cc(Cl)ccc1CN1Cc2cccc(F)c2C1 ZINC001140466435 1118751824 /nfs/dbraw/zinc/75/18/24/1118751824.db2.gz FOQHFGRPDCHOTG-UHFFFAOYSA-N 0 0 277.726 3.701 20 10 CHCDRN C[C@H](N[C@@H](C)c1c(F)cncc1F)c1cc(F)ccc1O ZINC000285773606 1118872318 /nfs/dbraw/zinc/87/23/18/1118872318.db2.gz UFBXYZMTMZTAQH-IUCAKERBSA-N 0 0 296.292 3.616 20 10 CHCDRN COc1ccc(N(C)Cc2ccsc2)cc1F ZINC000180773192 1128808301 /nfs/dbraw/zinc/80/83/01/1128808301.db2.gz PTPVIDBCHHBTSO-UHFFFAOYSA-N 0 0 251.326 3.532 20 10 CHCDRN Cc1cc(O)c(CN(C)Cc2nccs2)cc1C(C)C ZINC000074723890 1119007187 /nfs/dbraw/zinc/00/71/87/1119007187.db2.gz UBDWARKQUUQYAW-UHFFFAOYSA-N 0 0 290.432 3.913 20 10 CHCDRN Cc1ncsc1/C=C\C(=O)N1C[C@H](C)c2ccccc21 ZINC000588517573 1119080484 /nfs/dbraw/zinc/08/04/84/1119080484.db2.gz KQIXCERBMYKIOX-TVRMLOFPSA-N 0 0 284.384 3.615 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(NCc2ccnc(N)c2)cc1 ZINC001167617596 1119216586 /nfs/dbraw/zinc/21/65/86/1119216586.db2.gz QWIPUEFIPATMFI-UHFFFAOYSA-N 0 0 292.386 3.683 20 10 CHCDRN COc1ccc(CN[C@H](C)c2nc(C)cs2)cc1C ZINC000069168370 1128831462 /nfs/dbraw/zinc/83/14/62/1128831462.db2.gz CKHABVFRJZAYND-GFCCVEGCSA-N 0 0 276.405 3.619 20 10 CHCDRN CC(C)COc1ccccc1NCc1nccn1C1CC1 ZINC000892327300 1119299395 /nfs/dbraw/zinc/29/93/95/1119299395.db2.gz LIYVSADVORINHL-UHFFFAOYSA-N 0 0 285.391 3.865 20 10 CHCDRN CCN(CC)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000097654445 1119314112 /nfs/dbraw/zinc/31/41/12/1119314112.db2.gz GOJMHADNULEWJP-UHFFFAOYSA-N 0 0 270.376 3.576 20 10 CHCDRN CC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCC1 ZINC000226787196 1119335656 /nfs/dbraw/zinc/33/56/56/1119335656.db2.gz KNVGVIQWOBUEAW-UHFFFAOYSA-N 0 0 274.191 3.979 20 10 CHCDRN Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000728562892 1119345033 /nfs/dbraw/zinc/34/50/33/1119345033.db2.gz QFYUQDRMBVNGKW-KRWDZBQOSA-N 0 0 267.372 3.920 20 10 CHCDRN CC[C@H](C)[C@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000317896145 1119417852 /nfs/dbraw/zinc/41/78/52/1119417852.db2.gz QZDMMBWIWKVZPY-KSSFIOAISA-N 0 0 297.398 3.838 20 10 CHCDRN C[C@H](NC(=O)CCCSC(C)(C)C)c1ccccc1O ZINC000827972853 1119486308 /nfs/dbraw/zinc/48/63/08/1119486308.db2.gz AYBISWBRPUCFCH-LBPRGKRZSA-N 0 0 295.448 3.881 20 10 CHCDRN CCCC[C@@H](CC)C(=O)N[C@@H](C)c1ccccc1O ZINC000827982181 1119624445 /nfs/dbraw/zinc/62/44/45/1119624445.db2.gz NGODMHGPOABNKR-QWHCGFSZSA-N 0 0 263.381 3.786 20 10 CHCDRN CC[C@@H](NC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000052343931 1119815494 /nfs/dbraw/zinc/81/54/94/1119815494.db2.gz FXRZLQIDFJVYLV-OAHLLOKOSA-N 0 0 275.396 3.749 20 10 CHCDRN CCCN(Cc1cc(Cl)cc(OC)c1O)CC(F)F ZINC000184685819 1129234526 /nfs/dbraw/zinc/23/45/26/1129234526.db2.gz FJAXAYVACDVNMT-UHFFFAOYSA-N 0 0 293.741 3.531 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000310787846 1119952508 /nfs/dbraw/zinc/95/25/08/1119952508.db2.gz CZVAKYNSYJPRIN-VIFPVBQESA-N 0 0 296.144 3.976 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000311236718 1120047291 /nfs/dbraw/zinc/04/72/91/1120047291.db2.gz WPQGYBZXQAVDMI-QIMFLAQGSA-N 0 0 265.784 3.714 20 10 CHCDRN Cc1ccc(NCc2ccc(N3CCCC3)cc2)c(C)n1 ZINC000094664265 1120054193 /nfs/dbraw/zinc/05/41/93/1120054193.db2.gz OJEDSJOLRUCSFN-UHFFFAOYSA-N 0 0 281.403 3.911 20 10 CHCDRN Cc1snnc1-c1nc(-c2ccc(Cl)cc2C)no1 ZINC001212405073 1120067431 /nfs/dbraw/zinc/06/74/31/1120067431.db2.gz GCHIPWFOTJVZIP-UHFFFAOYSA-N 0 0 292.751 3.525 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1cncs1)c1cc(Cl)ccc1O ZINC000903310818 1120081084 /nfs/dbraw/zinc/08/10/84/1120081084.db2.gz LNNVMHKFUKTLTM-BDAKNGLRSA-N 0 0 282.796 3.914 20 10 CHCDRN C[C@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1cncs1 ZINC000903310820 1120081129 /nfs/dbraw/zinc/08/11/29/1120081129.db2.gz LNNVMHKFUKTLTM-IUCAKERBSA-N 0 0 282.796 3.914 20 10 CHCDRN [O-]c1c(F)cccc1C[NH2+][C@H]1CCCc2sccc21 ZINC000158760781 1120082051 /nfs/dbraw/zinc/08/20/51/1120082051.db2.gz FKDYGNVNXBMQPE-ZDUSSCGKSA-N 0 0 277.364 3.760 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CC2CCC1CC2)c1ccc(F)cc1[O-] ZINC000311847006 1120113454 /nfs/dbraw/zinc/11/34/54/1120113454.db2.gz ILKOZAQZFKUGPM-FLRBZUCHSA-N 0 0 263.356 3.761 20 10 CHCDRN Cc1ccc(C(C)C)cc1OCC(=O)Nc1ccc(N)cc1 ZINC000236629439 1120129913 /nfs/dbraw/zinc/12/99/13/1120129913.db2.gz JQKIDCYTKJCKDM-UHFFFAOYSA-N 0 0 298.386 3.718 20 10 CHCDRN C[C@@H]1CCN(C(=O)C2=CC(=O)CS2)CC12CCCCC2 ZINC000765865267 1120154121 /nfs/dbraw/zinc/15/41/21/1120154121.db2.gz MBQIHUXVTVZIKJ-GFCCVEGCSA-N 0 0 293.432 3.886 20 10 CHCDRN COc1ccc(C[N@H+](CC2CC2)C(C)C)c([O-])c1Cl ZINC001236812613 1128897789 /nfs/dbraw/zinc/89/77/89/1128897789.db2.gz DVRWEOCKJVKLJJ-UHFFFAOYSA-N 0 0 283.799 3.675 20 10 CHCDRN Cc1cccc(C(C)C)c1NC(=O)Cc1ccc(N)cc1 ZINC000019265177 1120488337 /nfs/dbraw/zinc/48/83/37/1120488337.db2.gz JKWXNHYOHAZXTM-UHFFFAOYSA-N 0 0 282.387 3.882 20 10 CHCDRN CN(Cc1ccccc1O)c1ccc2ccccc2n1 ZINC000189997908 1120493041 /nfs/dbraw/zinc/49/30/41/1120493041.db2.gz CHMUYCNVVGZDDU-UHFFFAOYSA-N 0 0 264.328 3.577 20 10 CHCDRN Oc1c(F)cccc1CNc1cnc2ccccc2c1 ZINC000164967005 1120510056 /nfs/dbraw/zinc/51/00/56/1120510056.db2.gz CCCLAMNMPOYYMD-UHFFFAOYSA-N 0 0 268.291 3.692 20 10 CHCDRN COc1cccc(O)c1CNc1ccc(C(C)C)nc1 ZINC000922584938 1120557190 /nfs/dbraw/zinc/55/71/90/1120557190.db2.gz BHBLAAFCOMPHGS-UHFFFAOYSA-N 0 0 272.348 3.531 20 10 CHCDRN C[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC000756582956 1120562382 /nfs/dbraw/zinc/56/23/82/1120562382.db2.gz LXRJDCTYIAIGBZ-QWRGUYRKSA-N 0 0 280.368 3.633 20 10 CHCDRN CCOc1ccc(O)c(CNc2ccc(COC)cc2)c1 ZINC000195461634 1120623462 /nfs/dbraw/zinc/62/34/62/1120623462.db2.gz FARTYUSRUVAQBR-UHFFFAOYSA-N 0 0 287.359 3.549 20 10 CHCDRN Cc1ccc(Cl)c(NCc2cc3c(cc2O)OCO3)c1 ZINC000124071242 1120646431 /nfs/dbraw/zinc/64/64/31/1120646431.db2.gz RWWZUBMYRWXEPX-UHFFFAOYSA-N 0 0 291.734 3.695 20 10 CHCDRN CC[C@](C)(NCc1ccc(N(C)C)cc1)C(F)(F)F ZINC000779431678 1128937386 /nfs/dbraw/zinc/93/73/86/1128937386.db2.gz AXKXPZSRBSHURO-ZDUSSCGKSA-N 0 0 274.330 3.573 20 10 CHCDRN CC(C)Oc1ccc(N(C)C[C@H](O)Cc2ccccc2)cc1 ZINC000759928601 1120823336 /nfs/dbraw/zinc/82/33/36/1120823336.db2.gz OAVICRAIJCONAK-GOSISDBHSA-N 0 0 299.414 3.514 20 10 CHCDRN CC(C)Oc1ccc(N(C)CC[C@@H]2CCCCO2)cc1 ZINC000759929399 1120871821 /nfs/dbraw/zinc/87/18/21/1120871821.db2.gz VMMDCLFZSVNPAP-INIZCTEOSA-N 0 0 277.408 3.869 20 10 CHCDRN COc1ccc(O)c([C@H](C)Nc2cscc2C)c1 ZINC000273516721 1120937026 /nfs/dbraw/zinc/93/70/26/1120937026.db2.gz SPQFIPLGBWIYRD-JTQLQIEISA-N 0 0 263.362 3.944 20 10 CHCDRN COc1ccc(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)nc1 ZINC000756846690 1120938942 /nfs/dbraw/zinc/93/89/42/1120938942.db2.gz WVFGBMOIJLVOIQ-CABZTGNLSA-N 0 0 288.322 3.595 20 10 CHCDRN CN(C)c1ccc(CNc2ccc(-n3cccn3)cc2)cc1 ZINC000121733171 1120961430 /nfs/dbraw/zinc/96/14/30/1120961430.db2.gz CGSNTIGUAYRKAM-UHFFFAOYSA-N 0 0 292.386 3.550 20 10 CHCDRN COc1cc(N[C@@H]2CCc3cccc(O)c32)cc(OC)c1 ZINC000314637344 1120968194 /nfs/dbraw/zinc/96/81/94/1120968194.db2.gz XYCYBERZOSCXGC-OAHLLOKOSA-N 0 0 285.343 3.509 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccc(F)cc1[O-] ZINC000282484688 1121020986 /nfs/dbraw/zinc/02/09/86/1121020986.db2.gz HIINGIUJFWQPMW-BLLLJJGKSA-N 0 0 293.382 3.531 20 10 CHCDRN Cc1cc(Nc2ccc(Cc3ccc(N)cc3)cc2)n(C)n1 ZINC001174831902 1121049974 /nfs/dbraw/zinc/04/99/74/1121049974.db2.gz YHWQWHDLUJAVOV-UHFFFAOYSA-N 0 0 292.386 3.645 20 10 CHCDRN COc1ccc(N[C@@H](C)c2cc(F)ccc2O)cc1 ZINC000094616781 1121086398 /nfs/dbraw/zinc/08/63/98/1121086398.db2.gz BXHKJVGKIJZTAP-JTQLQIEISA-N 0 0 261.296 3.713 20 10 CHCDRN Cc1cc(O)c(CNc2nc3c(cccc3F)n2C)cc1C ZINC000766106570 1121261344 /nfs/dbraw/zinc/26/13/44/1121261344.db2.gz FNHSQKRLVANUKU-UHFFFAOYSA-N 0 0 299.349 3.647 20 10 CHCDRN COc1ccc(O)c([C@@H](C)Nc2cnc3ccccc3n2)c1 ZINC000728910123 1121268710 /nfs/dbraw/zinc/26/87/10/1121268710.db2.gz VCWFQUAIYKNIDH-LLVKDONJSA-N 0 0 295.342 3.517 20 10 CHCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(C2CC2)cc1 ZINC000779546924 1128977220 /nfs/dbraw/zinc/97/72/20/1128977220.db2.gz GDSCTTWHUWENIE-SGAXSIHGSA-N 0 0 295.338 3.627 20 10 CHCDRN Nc1ccc(NC(=O)C[C@@H]2CCCc3ccccc32)cc1 ZINC000237981030 1121393993 /nfs/dbraw/zinc/39/39/93/1121393993.db2.gz ONHNEOWRKHZJJW-AWEZNQCLSA-N 0 0 280.371 3.718 20 10 CHCDRN Oc1ccc(F)c(Cl)c1CN1Cc2cccc(F)c2C1 ZINC001237126519 1128982792 /nfs/dbraw/zinc/98/27/92/1128982792.db2.gz MIDREVIPMUKOMB-UHFFFAOYSA-N 0 0 295.716 3.840 20 10 CHCDRN CC(C)Oc1ccc(N(C)C[C@H]2CCO[C@H](C)C2)cc1 ZINC000763544336 1128982823 /nfs/dbraw/zinc/98/28/23/1128982823.db2.gz LOGZCWGLLZVMAY-CABCVRRESA-N 0 0 277.408 3.725 20 10 CHCDRN C[N@H+](Cc1cccc2cccnc21)Cc1c([O-])cccc1F ZINC001137837480 1121400366 /nfs/dbraw/zinc/40/03/66/1121400366.db2.gz INVQOUUPCYPNMS-UHFFFAOYSA-N 0 0 296.345 3.712 20 10 CHCDRN CC(C)(C)[C@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000708466482 1121464528 /nfs/dbraw/zinc/46/45/28/1121464528.db2.gz IRCBGHOBMZYXMC-LBPRGKRZSA-N 0 0 275.396 3.559 20 10 CHCDRN CCc1cccc(CNc2ccc(N(C)C)cc2)c1O ZINC000709422616 1121470546 /nfs/dbraw/zinc/47/05/46/1121470546.db2.gz LABCRVJKHOWVBT-UHFFFAOYSA-N 0 0 270.376 3.633 20 10 CHCDRN CN(c1ccc(N)cc1)c1cccc(OC(F)(F)F)c1 ZINC001176539848 1121645107 /nfs/dbraw/zinc/64/51/07/1121645107.db2.gz KFQCDZFNASQMNW-UHFFFAOYSA-N 0 0 282.265 3.935 20 10 CHCDRN CCC[C@@H](C(=O)NCc1ccc(N(C)C)cc1C)C(C)C ZINC000763581498 1129000191 /nfs/dbraw/zinc/00/01/91/1129000191.db2.gz SEHGQCGMURYTDF-QGZVFWFLSA-N 0 0 290.451 3.750 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1cc2ccccc2o1 ZINC001177294363 1121720431 /nfs/dbraw/zinc/72/04/31/1121720431.db2.gz ILASQCAZMCUSQJ-UHFFFAOYSA-N 0 0 289.281 3.706 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CC=CCC1 ZINC001177542704 1121737800 /nfs/dbraw/zinc/73/78/00/1121737800.db2.gz RVWGNZBIODYPII-JTQLQIEISA-N 0 0 269.747 3.631 20 10 CHCDRN CCCC[C@H]1CCC[C@H]1NC(=O)NCc1ccccc1O ZINC000727941461 1121756643 /nfs/dbraw/zinc/75/66/43/1121756643.db2.gz WRHHLGWWHVNWLW-DZGCQCFKSA-N 0 0 290.407 3.550 20 10 CHCDRN CSc1ccc(NCc2cc(Cl)cc(F)c2O)nc1 ZINC001178059719 1121763357 /nfs/dbraw/zinc/76/33/57/1121763357.db2.gz GREWTJDHKDPWMI-UHFFFAOYSA-N 0 0 298.770 3.914 20 10 CHCDRN Cn1cnc2cc(NCc3ccc4[nH]ccc4c3)ccc21 ZINC001178037344 1121765579 /nfs/dbraw/zinc/76/55/79/1121765579.db2.gz DZCPXEFZYPRIGY-UHFFFAOYSA-N 0 0 276.343 3.667 20 10 CHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)cc2C)c1 ZINC000729279064 1121770055 /nfs/dbraw/zinc/77/00/55/1121770055.db2.gz YVPIQTUDFPRDEA-CYBMUJFWSA-N 0 0 299.370 3.509 20 10 CHCDRN COc1ccc(NCc2c(C)c3ccccc3n2C)c(C)n1 ZINC001178263478 1121779177 /nfs/dbraw/zinc/77/91/77/1121779177.db2.gz FGFJWCRUNONKPI-UHFFFAOYSA-N 0 0 295.386 3.811 20 10 CHCDRN CC(C)[C@H]1CN(C(=O)/C=C\c2cccnc2)c2ccccc21 ZINC000773778985 1121825937 /nfs/dbraw/zinc/82/59/37/1121825937.db2.gz ZUADNSJVZBLQAU-DOOKAGJSSA-N 0 0 292.382 3.881 20 10 CHCDRN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)c1O ZINC000797127928 1121845426 /nfs/dbraw/zinc/84/54/26/1121845426.db2.gz HOGHVZRBVGBDAM-GMOODISLSA-N 0 0 298.224 3.912 20 10 CHCDRN CCc1noc(-c2cc(C)n(-c3ccc(OC)cc3)c2C)n1 ZINC000731793510 1121883893 /nfs/dbraw/zinc/88/38/93/1121883893.db2.gz URHWFSYLXFQNDW-UHFFFAOYSA-N 0 0 297.358 3.715 20 10 CHCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000731867527 1121890994 /nfs/dbraw/zinc/89/09/94/1121890994.db2.gz WJVLSRHNNUFJDJ-LBPRGKRZSA-N 0 0 295.791 3.988 20 10 CHCDRN CCN(CC)c1ccc(CNc2ccnc(C3CC3)n2)cc1 ZINC000731976422 1121899702 /nfs/dbraw/zinc/89/97/02/1121899702.db2.gz BXMHJDBCJZDWRV-UHFFFAOYSA-N 0 0 296.418 3.812 20 10 CHCDRN Cc1ccc(CN2CCc3c(F)ccc(F)c3C2)c(O)c1 ZINC001179942714 1121927223 /nfs/dbraw/zinc/92/72/23/1121927223.db2.gz UHVOAKIEBMSUGM-UHFFFAOYSA-N 0 0 289.325 3.537 20 10 CHCDRN Cc1ncc(/C=C\C(=O)N2C[C@H](C)Cc3ccccc32)s1 ZINC000732736703 1121934859 /nfs/dbraw/zinc/93/48/59/1121934859.db2.gz CNDYJQJRIWFSNK-QDZRJHCZSA-N 0 0 298.411 3.690 20 10 CHCDRN CCN(C(=O)/C=C\c1cnc(C)s1)c1cccc(C)c1 ZINC000732730699 1121938042 /nfs/dbraw/zinc/93/80/42/1121938042.db2.gz XZOXQFQAOSEPHC-HJWRWDBZSA-N 0 0 286.400 3.826 20 10 CHCDRN CC(C)[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000733091418 1121962121 /nfs/dbraw/zinc/96/21/21/1121962121.db2.gz JDOFTAWSPYGTJA-HNNXBMFYSA-N 0 0 290.451 3.782 20 10 CHCDRN CC(C)[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000733091420 1121962323 /nfs/dbraw/zinc/96/23/23/1121962323.db2.gz JDOFTAWSPYGTJA-OAHLLOKOSA-N 0 0 290.451 3.782 20 10 CHCDRN C[N@H+](Cc1ccc2c(c1)CCCC2)Cc1ccccc1O ZINC001180240076 1121968256 /nfs/dbraw/zinc/96/82/56/1121968256.db2.gz SYIBIURADOPCME-UHFFFAOYSA-N 0 0 281.399 3.903 20 10 CHCDRN Cc1cc(C(=O)O[C@H]2C=CCCC2)c(C)n1-c1ccccn1 ZINC000733436239 1121988675 /nfs/dbraw/zinc/98/86/75/1121988675.db2.gz SVXJUOHGLUBYOP-HNNXBMFYSA-N 0 0 296.370 3.755 20 10 CHCDRN CC(C)(C)C[C@@H]1C[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC001180420559 1121989830 /nfs/dbraw/zinc/98/98/30/1121989830.db2.gz MEWLWVXGQAUFOS-NWDGAFQWSA-N 0 0 295.810 3.734 20 10 CHCDRN CCCCc1nc(COC(=O)C2=CC(=O)CS2)cs1 ZINC000733496968 1121994204 /nfs/dbraw/zinc/99/42/04/1121994204.db2.gz OFRBZHTYMMVWHI-UHFFFAOYSA-N 0 0 297.401 3.610 20 10 CHCDRN C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)c(F)cc2[O-])C[C@@H]1C ZINC001180707277 1122009596 /nfs/dbraw/zinc/00/95/96/1122009596.db2.gz GRSREKDJRGKWTN-JFGNBEQYSA-N 0 0 269.335 3.585 20 10 CHCDRN Cc1ccc(CN2CCc3cccc(C)c32)c(O)c1 ZINC001180757807 1122012292 /nfs/dbraw/zinc/01/22/92/1122012292.db2.gz BKCDUAPVTIKNED-UHFFFAOYSA-N 0 0 253.345 3.572 20 10 CHCDRN CC(=O)c1cc(Cl)cc(C[N@H+](C)CC2CCCC2)c1[O-] ZINC000110838393 1122067916 /nfs/dbraw/zinc/06/79/16/1122067916.db2.gz YMLOTNXOXLJXLB-UHFFFAOYSA-N 0 0 295.810 3.870 20 10 CHCDRN Cc1c2cc(OCc3nc(C(C)C)no3)ccc2n(C)c1C ZINC000421197573 1122081712 /nfs/dbraw/zinc/08/17/12/1122081712.db2.gz KYSXQGGCZSIZMJ-UHFFFAOYSA-N 0 0 299.374 3.881 20 10 CHCDRN CC[C@@H](C(=O)NCc1c(C)cc(C)cc1O)c1ccccc1 ZINC001182134032 1122114628 /nfs/dbraw/zinc/11/46/28/1122114628.db2.gz XRRKHKUDHYPURR-MRXNPFEDSA-N 0 0 297.398 3.819 20 10 CHCDRN C[C@H](NC(=O)Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000774019123 1122119534 /nfs/dbraw/zinc/11/95/34/1122119534.db2.gz WDAHJDXGMUNGJY-ZDUSSCGKSA-N 0 0 283.375 3.635 20 10 CHCDRN COC(C)(C)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774222002 1122145198 /nfs/dbraw/zinc/14/51/98/1122145198.db2.gz ATFOTFPMDHAKLR-MRVPVSSYSA-N 0 0 292.206 3.775 20 10 CHCDRN CC(C)[C@@H]1[N@H+](Cc2cccc(F)c2[O-])CC12CCCC2 ZINC001182336179 1122145542 /nfs/dbraw/zinc/14/55/42/1122145542.db2.gz YDBZVOVGADCZFB-INIZCTEOSA-N 0 0 277.383 3.932 20 10 CHCDRN CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774376448 1122158328 /nfs/dbraw/zinc/15/83/28/1122158328.db2.gz YGQIEFWNUPGDGJ-DJLDLDEBSA-N 0 0 292.206 3.773 20 10 CHCDRN C[C@@H]([NH2+]C1CCC2(CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000774382139 1122159040 /nfs/dbraw/zinc/15/90/40/1122159040.db2.gz RQWUBMKLBDYLDD-LLVKDONJSA-N 0 0 290.363 3.674 20 10 CHCDRN Oc1ccccc1CNc1nccc2ccc(F)cc21 ZINC000774522847 1122178437 /nfs/dbraw/zinc/17/84/37/1122178437.db2.gz AJRWPZZSIOWKAD-UHFFFAOYSA-N 0 0 268.291 3.692 20 10 CHCDRN COc1ccc(N(C)Cc2cn(C)nc2C2CCCC2)cc1 ZINC001182734295 1122185748 /nfs/dbraw/zinc/18/57/48/1122185748.db2.gz UDYLBEXGSZEKAK-UHFFFAOYSA-N 0 0 299.418 3.723 20 10 CHCDRN C[C@]1(C[NH2+]Cc2ccc(Cl)cc2[O-])C[C@H]2C[C@H]2C1 ZINC001183237949 1122212815 /nfs/dbraw/zinc/21/28/15/1122212815.db2.gz GAFGXJWONLLQNN-JYAVWHMHSA-N 0 0 265.784 3.571 20 10 CHCDRN CSc1ccc(N[C@@H](C)c2ccc(C)cc2O)nc1 ZINC000273355716 1122229082 /nfs/dbraw/zinc/22/90/82/1122229082.db2.gz CMJVFESJNQDUDG-NSHDSACASA-N 0 0 274.389 3.991 20 10 CHCDRN CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])CCO1 ZINC000273354417 1122229128 /nfs/dbraw/zinc/22/91/28/1122229128.db2.gz CHUHSRZFOXEGLI-NWANDNLSSA-N 0 0 295.398 3.776 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](CF)C1 ZINC000711493779 1122295691 /nfs/dbraw/zinc/29/56/91/1122295691.db2.gz AIPMEETYNDPDOR-SECBINFHSA-N 0 0 292.181 3.881 20 10 CHCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC001185035069 1122312291 /nfs/dbraw/zinc/31/22/91/1122312291.db2.gz JSYOUFQGSRHRCQ-OLZOCXBDSA-N 0 0 284.359 3.514 20 10 CHCDRN C=Cc1ccc(C(=O)NCc2c(C)cc(C)cc2O)cc1 ZINC001186526286 1122395992 /nfs/dbraw/zinc/39/59/92/1122395992.db2.gz JCVHBLDIZXSPLX-UHFFFAOYSA-N 0 0 281.355 3.582 20 10 CHCDRN CC[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000135649832 1122431899 /nfs/dbraw/zinc/43/18/99/1122431899.db2.gz YZDPHZJKEMCFHZ-VIFPVBQESA-N 0 0 274.191 3.931 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C1CCC2(CC2)CC1 ZINC000775134672 1122436589 /nfs/dbraw/zinc/43/65/89/1122436589.db2.gz DAAJTWIHHJZHAN-UHFFFAOYSA-N 0 0 283.774 3.997 20 10 CHCDRN O=[N+]([O-])c1cc(Cl)ccc1NCc1c(O)cccc1F ZINC001187677900 1122437183 /nfs/dbraw/zinc/43/71/83/1122437183.db2.gz PZUCXZOIZGZFPU-UHFFFAOYSA-N 0 0 296.685 3.705 20 10 CHCDRN CC(C)[C@@H]1CN(C(=O)C2=CC(=O)CS2)c2ccccc21 ZINC000775145272 1122443382 /nfs/dbraw/zinc/44/33/82/1122443382.db2.gz UNTAQXUAXBZOPI-ZDUSSCGKSA-N 0 0 287.384 3.854 20 10 CHCDRN COc1cc(C)c(NCc2c(O)cccc2OC)cc1C ZINC000775182431 1122468379 /nfs/dbraw/zinc/46/83/79/1122468379.db2.gz FEJKOGSVHKQTQN-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN CN(C)c1ccc(CNc2cccc3cc[nH]c32)cc1 ZINC000775337702 1122522003 /nfs/dbraw/zinc/52/20/03/1122522003.db2.gz BTAIFLZYGSETDR-UHFFFAOYSA-N 0 0 265.360 3.846 20 10 CHCDRN C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(Cl)cc2[O-])C[C@H](C)O1 ZINC001205506600 1122534612 /nfs/dbraw/zinc/53/46/12/1122534612.db2.gz BTUCMGXPCMZDKI-CLLJXQQHSA-N 0 0 297.826 3.729 20 10 CHCDRN CC(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)=C1CCCC1 ZINC000775412177 1122555451 /nfs/dbraw/zinc/55/54/51/1122555451.db2.gz UUBHEMZMELASMM-CQSZACIVSA-N 0 0 286.419 3.820 20 10 CHCDRN CC[C@H]1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC001151900674 1122561288 /nfs/dbraw/zinc/56/12/88/1122561288.db2.gz VPWITDKOSRTDIM-YDHLFZDLSA-N 0 0 275.392 3.786 20 10 CHCDRN CC(=O)c1cc(F)cc(CN2CCc3ccc(C)cc32)c1O ZINC001191671692 1122608482 /nfs/dbraw/zinc/60/84/82/1122608482.db2.gz AKONXOUMWNNYSW-UHFFFAOYSA-N 0 0 299.345 3.605 20 10 CHCDRN CCc1cnc(NCc2ccc(N(C)C)cc2C)s1 ZINC000775477346 1122614411 /nfs/dbraw/zinc/61/44/11/1122614411.db2.gz QXNXFSLIMRIBJI-UHFFFAOYSA-N 0 0 275.421 3.692 20 10 CHCDRN CC[C@@H](N[C@@H](CC)c1ccccc1O)C(=O)OC(C)(C)C ZINC000775513516 1122632809 /nfs/dbraw/zinc/63/28/09/1122632809.db2.gz KMXLQZMSTKARMQ-UONOGXRCSA-N 0 0 293.407 3.553 20 10 CHCDRN CSc1ccccc1CN(C)c1ccc2c(c1)OCO2 ZINC001192284677 1122637781 /nfs/dbraw/zinc/63/77/81/1122637781.db2.gz XRBGQUQTLKUSMY-UHFFFAOYSA-N 0 0 287.384 3.774 20 10 CHCDRN CC[C@@H](Nc1cnn(-c2ccccn2)c1)c1ccccc1O ZINC000775540606 1122653921 /nfs/dbraw/zinc/65/39/21/1122653921.db2.gz NZDNQEZXRDRYHP-OAHLLOKOSA-N 0 0 294.358 3.536 20 10 CHCDRN C[C@@H]1CCCC[C@@H]1CN1CCOc2cc(N(C)C)ccc21 ZINC001192939438 1122666119 /nfs/dbraw/zinc/66/61/19/1122666119.db2.gz NADYFIIJAQKSEI-HUUCEWRRSA-N 0 0 288.435 3.778 20 10 CHCDRN Cc1nocc1CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000295018883 1122740280 /nfs/dbraw/zinc/74/02/80/1122740280.db2.gz WJSPCMWOJMDFLY-UHFFFAOYSA-N 0 0 299.418 3.605 20 10 CHCDRN Cc1ccc(OC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001194479776 1122779336 /nfs/dbraw/zinc/77/93/36/1122779336.db2.gz OBGIROGHGBYKMN-LBPRGKRZSA-N 0 0 271.316 3.550 20 10 CHCDRN CC(C)CCn1ccc(N[C@@H](C)c2ccccc2O)n1 ZINC000183665711 1129080309 /nfs/dbraw/zinc/08/03/09/1129080309.db2.gz GXTLONTVLMPFHG-ZDUSSCGKSA-N 0 0 273.380 3.808 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000775628932 1122829187 /nfs/dbraw/zinc/82/91/87/1122829187.db2.gz BSCYVFBLUWFBEW-CQSZACIVSA-N 0 0 294.757 3.850 20 10 CHCDRN CC[C@H](C)OC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001195103554 1122837646 /nfs/dbraw/zinc/83/76/46/1122837646.db2.gz CLLJOUKXJDDEIM-AWEZNQCLSA-N 0 0 290.407 3.654 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000775634798 1122840515 /nfs/dbraw/zinc/84/05/15/1122840515.db2.gz YNVPYKDJQWNCKQ-OAHLLOKOSA-N 0 0 273.763 3.993 20 10 CHCDRN CC[N@H+](CCc1ccccn1)Cc1cccc(Cl)c1[O-] ZINC000775661383 1122874538 /nfs/dbraw/zinc/87/45/38/1122874538.db2.gz MYWDNEMXUZYXFC-UHFFFAOYSA-N 0 0 290.794 3.505 20 10 CHCDRN CC(C)[C@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCS1 ZINC000775735787 1122929579 /nfs/dbraw/zinc/92/95/79/1122929579.db2.gz WUGKHLSXVTXIIA-CYBMUJFWSA-N 0 0 285.840 3.619 20 10 CHCDRN Cc1[nH]c2ccccc2c1C(=O)CSc1nccs1 ZINC000048874370 1122952577 /nfs/dbraw/zinc/95/25/77/1122952577.db2.gz FYKCBKPVVHWVCX-UHFFFAOYSA-N 0 0 288.397 3.908 20 10 CHCDRN Cc1ccc(NC(=S)NCc2ncccc2Cl)cc1 ZINC001197940558 1122975223 /nfs/dbraw/zinc/97/52/23/1122975223.db2.gz CKYVMRSFALPNAZ-UHFFFAOYSA-N 0 0 291.807 3.530 20 10 CHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)ccc2C)c1 ZINC000104124953 1122975720 /nfs/dbraw/zinc/97/57/20/1122975720.db2.gz JKMOLAKFMVTDPH-CYBMUJFWSA-N 0 0 299.370 3.509 20 10 CHCDRN Cc1cccc(C)c1NC(=S)Nc1cccc(O)c1O ZINC001198357912 1122989403 /nfs/dbraw/zinc/98/94/03/1122989403.db2.gz UXPNIZBGCMBFFT-UHFFFAOYSA-N 0 0 288.372 3.524 20 10 CHCDRN Nc1ccc(N(Cc2ccccc2)C(=O)C2=CC=CC2)cc1 ZINC001199694638 1123038746 /nfs/dbraw/zinc/03/87/46/1123038746.db2.gz WJWKLYQOLNTOBZ-UHFFFAOYSA-N 0 0 290.366 3.688 20 10 CHCDRN Cc1cc(Cl)cc(C[NH2+][C@@H](C)c2ccccn2)c1O ZINC000776071650 1123051941 /nfs/dbraw/zinc/05/19/41/1123051941.db2.gz ZILMMRYBTUXTLP-NSHDSACASA-N 0 0 276.767 3.600 20 10 CHCDRN C[C@H](COc1ccccc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776065953 1123052386 /nfs/dbraw/zinc/05/23/86/1123052386.db2.gz MFAJVETUEAAFKA-GFCCVEGCSA-N 0 0 291.778 3.603 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000776106853 1123059598 /nfs/dbraw/zinc/05/95/98/1123059598.db2.gz HGUSXTOYKTVUHR-UHFFFAOYSA-N 0 0 286.762 3.817 20 10 CHCDRN Cc1c(N(C)c2ccc(N)cc2)cnn1-c1ccccc1 ZINC001201376943 1123094928 /nfs/dbraw/zinc/09/49/28/1123094928.db2.gz GKKBMXOJLOAJBO-UHFFFAOYSA-N 0 0 278.359 3.531 20 10 CHCDRN COc1cc(Nc2ccc(NC(C)C)cc2)c(F)cn1 ZINC001201491610 1123109584 /nfs/dbraw/zinc/10/95/84/1123109584.db2.gz QUGVIKORHRKYAP-UHFFFAOYSA-N 0 0 275.327 3.793 20 10 CHCDRN COC(=O)c1cc(N)cc(Nc2ccc(NC(C)C)cc2)c1 ZINC001201498309 1123111436 /nfs/dbraw/zinc/11/14/36/1123111436.db2.gz XWWGOOAEKVRUTL-UHFFFAOYSA-N 0 0 299.374 3.619 20 10 CHCDRN Cc1cc(F)cc(NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001201830642 1123154198 /nfs/dbraw/zinc/15/41/98/1123154198.db2.gz NWFJVQLLUNAFAV-NSHDSACASA-N 0 0 288.322 3.722 20 10 CHCDRN C[C@@H](NC(=O)Nc1ccccc1Cl)c1ccccc1O ZINC001202067387 1123172249 /nfs/dbraw/zinc/17/22/49/1123172249.db2.gz XSMYOVDAULOSHN-SNVBAGLBSA-N 0 0 290.750 3.928 20 10 CHCDRN CCC1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCC1 ZINC000776231462 1123172872 /nfs/dbraw/zinc/17/28/72/1123172872.db2.gz HRMPAKRKCXCONU-UHFFFAOYSA-N 0 0 257.736 3.607 20 10 CHCDRN Cc1ccccc1NC(=O)N[C@H](C)c1ccccc1O ZINC001202188995 1123184352 /nfs/dbraw/zinc/18/43/52/1123184352.db2.gz GWWGZBVNWBNMFY-GFCCVEGCSA-N 0 0 270.332 3.583 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)c1sccc1C1CC1 ZINC000729521825 1123204529 /nfs/dbraw/zinc/20/45/29/1123204529.db2.gz CZQXDUHIWVTGMK-UHFFFAOYSA-N 0 0 287.384 3.603 20 10 CHCDRN Cc1cc(O)c(CN2CCC(F)(F)C2)cc1C(C)C ZINC000776290938 1123207311 /nfs/dbraw/zinc/20/73/11/1123207311.db2.gz CWMVCQBTGCOQMD-UHFFFAOYSA-N 0 0 269.335 3.665 20 10 CHCDRN CC(C)c1nnc(CSc2ncc(Cl)s2)o1 ZINC000849998664 1123236151 /nfs/dbraw/zinc/23/61/51/1123236151.db2.gz HTWPLDCRPQIFNO-UHFFFAOYSA-N 0 0 275.786 3.595 20 10 CHCDRN C[C@@H](Sc1ncc(Cl)s1)c1nc(C2CC2)no1 ZINC000849998685 1123236297 /nfs/dbraw/zinc/23/62/97/1123236297.db2.gz IEPPLCRQQFQQGM-RXMQYKEDSA-N 0 0 287.797 3.910 20 10 CHCDRN C[C@H]1C[C@H](CSc2ncc(Cl)s2)CCO1 ZINC000850000033 1123236442 /nfs/dbraw/zinc/23/64/42/1123236442.db2.gz HDZYNEOVLVCBNM-JGVFFNPUSA-N 0 0 263.815 3.704 20 10 CHCDRN Cc1noc(C)c1CCSc1ncc(Cl)s1 ZINC000850000543 1123236778 /nfs/dbraw/zinc/23/67/78/1123236778.db2.gz YSJJYVIZQYNBLF-UHFFFAOYSA-N 0 0 274.798 3.736 20 10 CHCDRN Cc1ncsc1CCSc1ncc(Cl)s1 ZINC000850000182 1123236887 /nfs/dbraw/zinc/23/68/87/1123236887.db2.gz LSKGBCPGZGQUNL-UHFFFAOYSA-N 0 0 276.839 3.896 20 10 CHCDRN C[C@H](NC/C=C\c1ccc(N(C)C)cc1)c1cscn1 ZINC000850359702 1123256269 /nfs/dbraw/zinc/25/62/69/1123256269.db2.gz OMBCRTUUIRENEU-ZFDPJTLLSA-N 0 0 287.432 3.573 20 10 CHCDRN Oc1cccc(Cl)c1CNc1ccc2c(c1)CCOC2 ZINC000850382128 1123261081 /nfs/dbraw/zinc/26/10/81/1123261081.db2.gz NWODDAISSNAILT-UHFFFAOYSA-N 0 0 289.762 3.730 20 10 CHCDRN C[C@@H](N[C@H](C)c1cc(Cl)ccc1O)c1cscn1 ZINC000850511998 1123278930 /nfs/dbraw/zinc/27/89/30/1123278930.db2.gz SUAQUMIXMYOSGL-RKDXNWHRSA-N 0 0 282.796 3.914 20 10 CHCDRN CC[C@H]1CN(Cc2cccc(OC)c2O)c2ccccc2O1 ZINC000776527176 1123354108 /nfs/dbraw/zinc/35/41/08/1123354108.db2.gz RQQMGXHVWLFFGS-AWEZNQCLSA-N 0 0 299.370 3.578 20 10 CHCDRN Nc1ccc(NC(=O)C2(C(F)(F)F)CCCCC2)cc1 ZINC000851633804 1123372187 /nfs/dbraw/zinc/37/21/87/1123372187.db2.gz UQAXDYXZKSPOIE-UHFFFAOYSA-N 0 0 286.297 3.720 20 10 CHCDRN CCCCC[C@@H]1CCCCN1C(=O)Cc1ccc(N)cc1 ZINC000851647632 1123372436 /nfs/dbraw/zinc/37/24/36/1123372436.db2.gz OXAKFDAQCNZPFG-QGZVFWFLSA-N 0 0 288.435 3.773 20 10 CHCDRN CC[C@H](CC(F)F)CN(C)c1ccc(OC)c(OC)c1 ZINC000851735048 1123376092 /nfs/dbraw/zinc/37/60/92/1123376092.db2.gz NZCZNQBPFPYHFA-LLVKDONJSA-N 0 0 287.350 3.821 20 10 CHCDRN Cc1cccc(O)c1CNc1cc(F)cc(N(C)C)c1 ZINC000895177058 1123387261 /nfs/dbraw/zinc/38/72/61/1123387261.db2.gz SXPRXIWPTZZXLV-UHFFFAOYSA-N 0 0 274.339 3.518 20 10 CHCDRN Cc1cc(CN(C)c2ccc(OC(C)C)cc2)nc(C)n1 ZINC000851984766 1123392240 /nfs/dbraw/zinc/39/22/40/1123392240.db2.gz GAPSLQOSOWJLBR-UHFFFAOYSA-N 0 0 285.391 3.517 20 10 CHCDRN Nc1ccc(Cc2noc([C@H]3CCCC4(CC4)C3)n2)cc1 ZINC000854133761 1123470009 /nfs/dbraw/zinc/47/00/09/1123470009.db2.gz JOYZQOUMDNYQFQ-ZDUSSCGKSA-N 0 0 283.375 3.680 20 10 CHCDRN CC1=CC[C@@](C)(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000854271918 1123480333 /nfs/dbraw/zinc/48/03/33/1123480333.db2.gz VMBFTNMIRMWAFO-GOSISDBHSA-N 0 0 286.419 3.505 20 10 CHCDRN Cc1cc(C(=O)N[C@H](C)C(C)(C)C)c(C)n1-c1ccccn1 ZINC000112307863 1123487501 /nfs/dbraw/zinc/48/75/01/1123487501.db2.gz ATFQAPVBGXMXPO-CQSZACIVSA-N 0 0 299.418 3.654 20 10 CHCDRN CC(C)C[C@H](C)n1nccc1NC(=O)C1=CC(=O)CS1 ZINC000854510429 1123487592 /nfs/dbraw/zinc/48/75/92/1123487592.db2.gz JJGBVCGTFGSJSK-JTQLQIEISA-N 0 0 293.392 3.510 20 10 CHCDRN CC1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC(F)(F)C1 ZINC000895531837 1123488571 /nfs/dbraw/zinc/48/85/71/1123488571.db2.gz IQJPWGSUOXBEQW-UHFFFAOYSA-N 0 0 293.716 3.710 20 10 CHCDRN C[C@H](Nc1cnn(Cc2ccccc2)c1)c1ccccc1O ZINC000193927124 1129125907 /nfs/dbraw/zinc/12/59/07/1129125907.db2.gz ZTNMLTQJWOFSPK-AWEZNQCLSA-N 0 0 293.370 3.810 20 10 CHCDRN CC[C@@H](C)[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000194174213 1129131422 /nfs/dbraw/zinc/13/14/22/1129131422.db2.gz OZMFTJSFHFMLFT-TZMCWYRMSA-N 0 0 299.418 3.654 20 10 CHCDRN CCc1ccsc1C(=O)NCc1cc(Cl)ccc1O ZINC000857547562 1123606303 /nfs/dbraw/zinc/60/63/03/1123606303.db2.gz KAVNTYRBNNAZHF-UHFFFAOYSA-N 0 0 295.791 3.600 20 10 CHCDRN CC(C)(/C=C\Cl)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000896746325 1123618446 /nfs/dbraw/zinc/61/84/46/1123618446.db2.gz COTICMREDITART-SREVYHEPSA-N 0 0 260.164 3.666 20 10 CHCDRN COc1ccc(O)c([C@@H](C)Nc2nc(Cl)cs2)c1 ZINC000858391758 1123650237 /nfs/dbraw/zinc/65/02/37/1123650237.db2.gz QCVKWNFEYAGLSV-SSDOTTSWSA-N 0 0 284.768 3.684 20 10 CHCDRN C[C@@H](NCc1ncccc1Cl)c1ccc(N(C)C)cc1 ZINC000859258586 1123692951 /nfs/dbraw/zinc/69/29/51/1123692951.db2.gz QHXFEIUWGHVWRD-GFCCVEGCSA-N 0 0 289.810 3.652 20 10 CHCDRN C[C@H](NCc1ncccc1Cl)c1ccc(N(C)C)cc1 ZINC000859258587 1123693172 /nfs/dbraw/zinc/69/31/72/1123693172.db2.gz QHXFEIUWGHVWRD-LBPRGKRZSA-N 0 0 289.810 3.652 20 10 CHCDRN COc1ccc(N(Cc2ccnc(F)c2)CC2CC2)cc1 ZINC000859324893 1123694712 /nfs/dbraw/zinc/69/47/12/1123694712.db2.gz PBKRQLPEFGEBMA-UHFFFAOYSA-N 0 0 286.350 3.646 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)CCC3)c1 ZINC000860280528 1123727864 /nfs/dbraw/zinc/72/78/64/1123727864.db2.gz OHRPNDXWPRVPAS-UHFFFAOYSA-N 0 0 296.370 3.511 20 10 CHCDRN COc1cccc2c1CN(Cc1cc(Cl)ccc1O)C2 ZINC000862528926 1123817006 /nfs/dbraw/zinc/81/70/06/1123817006.db2.gz FHGDMJISBADRMW-UHFFFAOYSA-N 0 0 289.762 3.570 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000862759697 1123827781 /nfs/dbraw/zinc/82/77/81/1123827781.db2.gz JIOVAVHDWVIEDZ-UHFFFAOYSA-N 0 0 299.414 3.533 20 10 CHCDRN CCC[C@@H](C(=O)NCc1cc(C)ccc1O)c1ccccc1 ZINC000862761765 1123827845 /nfs/dbraw/zinc/82/78/45/1123827845.db2.gz WUNLHTYSVOTCFZ-QGZVFWFLSA-N 0 0 297.398 3.901 20 10 CHCDRN Cc1ccc(C)c(NC(=S)NCc2ccc(C)c(C)n2)c1 ZINC000840845228 1123850923 /nfs/dbraw/zinc/85/09/23/1123850923.db2.gz YWSVTAYPLHKWKJ-UHFFFAOYSA-N 0 0 299.443 3.802 20 10 CHCDRN c1csc(S[C@H]2CCO[C@H](c3ccncc3)C2)n1 ZINC000863295450 1123859771 /nfs/dbraw/zinc/85/97/71/1123859771.db2.gz UJIGWQRMAPWMMK-RYUDHWBXSA-N 0 0 278.402 3.551 20 10 CHCDRN COc1cccc(SCCN(C)c2ccc(N)cc2)c1 ZINC000863558599 1123875290 /nfs/dbraw/zinc/87/52/90/1123875290.db2.gz OQGOLNSJEHKLTE-UHFFFAOYSA-N 0 0 288.416 3.506 20 10 CHCDRN COc1nccc2c(NCc3ccccc3O)cccc21 ZINC000864014349 1123909470 /nfs/dbraw/zinc/90/94/70/1123909470.db2.gz NNQVXBOOWHDKGN-UHFFFAOYSA-N 0 0 280.327 3.561 20 10 CHCDRN Cc1cccc2c(Sc3nccs3)ncnc12 ZINC000301678344 1123923660 /nfs/dbraw/zinc/92/36/60/1123923660.db2.gz QZPDPFIDPSOSJH-UHFFFAOYSA-N 0 0 259.359 3.546 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNc1nc2ccccc2[nH]1 ZINC000301861388 1123939229 /nfs/dbraw/zinc/93/92/29/1123939229.db2.gz FWMLVHIASKOCGD-UHFFFAOYSA-N 0 0 280.375 3.549 20 10 CHCDRN CC[C@H](Nc1cccc2c1OCO2)c1ccc(C)cc1O ZINC000794814274 1123957566 /nfs/dbraw/zinc/95/75/66/1123957566.db2.gz DGHWJXRCLQKNGQ-ZDUSSCGKSA-N 0 0 285.343 3.993 20 10 CHCDRN Clc1cnc(SCc2coc(C3CC3)n2)s1 ZINC000865371584 1123975566 /nfs/dbraw/zinc/97/55/66/1123975566.db2.gz FHFWHPUGUAPYCP-UHFFFAOYSA-N 0 0 272.782 3.954 20 10 CHCDRN Cc1cc(Cl)cc([C@@H](C)N[C@H](C)c2csnn2)c1O ZINC000840886143 1123997512 /nfs/dbraw/zinc/99/75/12/1123997512.db2.gz PLTHLMVMKTZCTN-RKDXNWHRSA-N 0 0 297.811 3.617 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@H]1C)c1cccc(Cl)c1[O-] ZINC000866448355 1124066260 /nfs/dbraw/zinc/06/62/60/1124066260.db2.gz VGPQIBJSINLHNP-TXFQPVFDSA-N 0 0 283.799 3.652 20 10 CHCDRN Cc1ncc([C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])s1 ZINC000866455492 1124068094 /nfs/dbraw/zinc/06/80/94/1124068094.db2.gz MEGZFQVWVJUKTN-YUMQZZPRSA-N 0 0 298.358 3.847 20 10 CHCDRN Cc1ncc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])s1 ZINC000866455263 1124068285 /nfs/dbraw/zinc/06/82/85/1124068285.db2.gz LDLCEKRXFWNIDB-BDAKNGLRSA-N 0 0 280.368 3.708 20 10 CHCDRN COCc1cc(N[C@@H]2CCc3cccc(O)c32)ccc1OC ZINC000866500947 1124073133 /nfs/dbraw/zinc/07/31/33/1124073133.db2.gz IIZAYOJBUZXHCQ-OAHLLOKOSA-N 0 0 299.370 3.647 20 10 CHCDRN Oc1cccc2c1[C@@H](Nc1cccc3c1OCCCO3)CC2 ZINC000866618556 1124090372 /nfs/dbraw/zinc/09/03/72/1124090372.db2.gz FQAFTNTZEJWNEF-ZDUSSCGKSA-N 0 0 297.354 3.653 20 10 CHCDRN C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1ccc(F)cc1[O-] ZINC000866622559 1124091472 /nfs/dbraw/zinc/09/14/72/1124091472.db2.gz GVRUKCPRKPCPCP-WBMJQRKESA-N 0 0 293.382 3.674 20 10 CHCDRN OC1(CNc2ccc(Nc3ccccc3)cc2)CCC1 ZINC000819395306 1131244144 /nfs/dbraw/zinc/24/41/44/1131244144.db2.gz JMHNOEPYAMQNCA-UHFFFAOYSA-N 0 0 268.360 3.757 20 10 CHCDRN Cc1ccc(C2CC2)c(C(=O)N(C)Cc2ccccc2O)c1 ZINC000819383402 1131246156 /nfs/dbraw/zinc/24/61/56/1131246156.db2.gz WYNBSTPYUUAIHE-UHFFFAOYSA-N 0 0 295.382 3.850 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCC[C@H]1C ZINC000819382623 1131246199 /nfs/dbraw/zinc/24/61/99/1131246199.db2.gz PGOWIMKIXSVCLQ-ZBFHGGJFSA-N 0 0 289.419 3.957 20 10 CHCDRN C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000819501805 1131252130 /nfs/dbraw/zinc/25/21/30/1131252130.db2.gz LWHXMQLPUDDXLM-GRDNDAEWSA-N 0 0 288.435 3.756 20 10 CHCDRN C(=C\c1ccc(N2CCCC2)cc1)\c1nccs1 ZINC001119555028 1131258690 /nfs/dbraw/zinc/25/86/90/1131258690.db2.gz GIWGCFWCDHTYOU-YVMONPNESA-N 0 0 256.374 3.914 20 10 CHCDRN CC(C)Oc1cnc(F)c(-c2nccc3c2ccn3C)c1 ZINC001238871944 1131262075 /nfs/dbraw/zinc/26/20/75/1131262075.db2.gz BCDXQMWCLJHKDF-UHFFFAOYSA-N 0 0 285.322 3.562 20 10 CHCDRN Cc1ccccc1NC(=O)CNc1ccccc1NC(C)C ZINC000871847538 1124645194 /nfs/dbraw/zinc/64/51/94/1124645194.db2.gz SWGBTQVWLNWTEE-UHFFFAOYSA-N 0 0 297.402 3.866 20 10 CHCDRN CC(C)Nc1ccccc1NCc1nc(-c2ccoc2)no1 ZINC000871847710 1124645209 /nfs/dbraw/zinc/64/52/09/1124645209.db2.gz VTMJGYQSNYAGGR-UHFFFAOYSA-N 0 0 298.346 3.762 20 10 CHCDRN CC(C)Nc1ccccc1NCc1noc(C2CCC2)n1 ZINC000871845955 1124645432 /nfs/dbraw/zinc/64/54/32/1124645432.db2.gz HYLPFIHYFQEGGL-UHFFFAOYSA-N 0 0 286.379 3.770 20 10 CHCDRN CCn1ncc(N[C@H](C)c2ccc(C)c(C)c2O)c1C ZINC000872137854 1124694551 /nfs/dbraw/zinc/69/45/51/1124694551.db2.gz PKTCTQUNYOSMNK-GFCCVEGCSA-N 0 0 273.380 3.707 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCc2ccccc2C1 ZINC000124494498 1124765950 /nfs/dbraw/zinc/76/59/50/1124765950.db2.gz FBLWHFODGPVAHW-UHFFFAOYSA-N 0 0 273.763 3.604 20 10 CHCDRN CC(=O)Nc1cccc(N[C@H](C)c2ccccc2O)c1 ZINC000019917187 1124770545 /nfs/dbraw/zinc/77/05/45/1124770545.db2.gz OHCWLSOLEFHJRB-LLVKDONJSA-N 0 0 270.332 3.524 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@H]1CC ZINC000825679472 1124773389 /nfs/dbraw/zinc/77/33/89/1124773389.db2.gz SVNGIUOHKXLPGJ-GDBMZVCRSA-N 0 0 289.419 3.957 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(/C=C/C(C)(C)O)cc1 ZINC001239155326 1131302325 /nfs/dbraw/zinc/30/23/25/1131302325.db2.gz HWJGVWIHRHCWPH-VAWYXSNFSA-N 0 0 255.361 3.878 20 10 CHCDRN COc1ccc(O)c(CNc2ccc(SC)cc2)c1 ZINC000020088001 1124805111 /nfs/dbraw/zinc/80/51/11/1124805111.db2.gz ANHDFWJXKKACCC-UHFFFAOYSA-N 0 0 275.373 3.735 20 10 CHCDRN CCCCC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000873957569 1124810806 /nfs/dbraw/zinc/81/08/06/1124810806.db2.gz BHHUOLMZVBTYCP-LLVKDONJSA-N 0 0 290.367 3.548 20 10 CHCDRN CCCCN(C(=O)/C=C/c1cccnc1C)c1cccnc1 ZINC000875884389 1124909742 /nfs/dbraw/zinc/90/97/42/1124909742.db2.gz IVJHPQYTXDQMBJ-MDZDMXLPSA-N 0 0 295.386 3.632 20 10 CHCDRN Cc1ccc(CNc2ccc(N3CCCC3)cc2)c(O)c1 ZINC000876820532 1124981429 /nfs/dbraw/zinc/98/14/29/1124981429.db2.gz ORNBLSPUFRYKHQ-UHFFFAOYSA-N 0 0 282.387 3.913 20 10 CHCDRN CCOc1ccc(NCc2ccc(C)cc2O)cc1OC ZINC000876838383 1124983463 /nfs/dbraw/zinc/98/34/63/1124983463.db2.gz YUMJQNVKHIKWBT-UHFFFAOYSA-N 0 0 287.359 3.720 20 10 CHCDRN Cc1cc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])ccc1F ZINC000877083191 1125006366 /nfs/dbraw/zinc/00/63/66/1125006366.db2.gz JLIOCCLUQJEIOX-SNVBAGLBSA-N 0 0 295.304 3.969 20 10 CHCDRN CN(C(=O)C[C@H]1CCCc2ccccc21)c1ccc(N)cc1 ZINC000877078273 1125006570 /nfs/dbraw/zinc/00/65/70/1125006570.db2.gz KLXXYHKZKZUZRN-OAHLLOKOSA-N 0 0 294.398 3.742 20 10 CHCDRN CCCC[C@H](CC)CC(=O)N(C)c1ccc(N)cc1 ZINC000877078249 1125006647 /nfs/dbraw/zinc/00/66/47/1125006647.db2.gz JIWHZQAITFIPSH-ZDUSSCGKSA-N 0 0 262.397 3.838 20 10 CHCDRN CC(C)[C@H](C(=O)N(C)c1ccc(N)cc1)c1ccccc1 ZINC000877081184 1125007018 /nfs/dbraw/zinc/00/70/18/1125007018.db2.gz WOLHYAYKKLQSMN-KRWDZBQOSA-N 0 0 282.387 3.671 20 10 CHCDRN CC[C@H](Cc1ccccc1)C(=O)N(C)c1ccc(N)cc1 ZINC000877078402 1125007209 /nfs/dbraw/zinc/00/72/09/1125007209.db2.gz OKGWAAZATPIVCX-OAHLLOKOSA-N 0 0 282.387 3.501 20 10 CHCDRN CC(C)COc1cccc(C(=O)N(C)c2ccc(N)cc2)c1 ZINC000877080922 1125007242 /nfs/dbraw/zinc/00/72/42/1125007242.db2.gz RKKVDDLTBGSURV-UHFFFAOYSA-N 0 0 298.386 3.580 20 10 CHCDRN C[C@H]1C[C@H]1c1ccc(CCC(=O)N(C)c2ccc(N)cc2)o1 ZINC000877080023 1125007336 /nfs/dbraw/zinc/00/73/36/1125007336.db2.gz DZZVOVHRVSXQBV-BLLLJJGKSA-N 0 0 298.386 3.581 20 10 CHCDRN CN(C(=O)[C@@]1(C)CCCc2ccccc21)c1ccc(N)cc1 ZINC000877078132 1125007451 /nfs/dbraw/zinc/00/74/51/1125007451.db2.gz DZHZYXVFJGCRKN-IBGZPJMESA-N 0 0 294.398 3.526 20 10 CHCDRN Cc1cc(O)c(CN[C@@H](C2CC2)C(F)(F)F)cc1Cl ZINC000825939649 1125017318 /nfs/dbraw/zinc/01/73/18/1125017318.db2.gz FIFKPKJQSFDNPJ-LBPRGKRZSA-N 0 0 293.716 3.785 20 10 CHCDRN [O-]c1c(C[NH2+]C[C@H]2CCCC(F)(F)C2)ccc(F)c1F ZINC000877498542 1125036886 /nfs/dbraw/zinc/03/68/86/1125036886.db2.gz RCWYENUXDLWFMC-VIFPVBQESA-N 0 0 291.288 3.586 20 10 CHCDRN Cc1ccc(CNc2ccc([C@H]3CCOC3)cc2)c(O)c1 ZINC000877552545 1125044130 /nfs/dbraw/zinc/04/41/30/1125044130.db2.gz DBJNSQAMKXMCJV-INIZCTEOSA-N 0 0 283.371 3.817 20 10 CHCDRN Cc1ccc(-c2cc(N(C)c3ccccc3)ncn2)c(C)n1 ZINC001239451281 1131327575 /nfs/dbraw/zinc/32/75/75/1131327575.db2.gz NEOVBLCIGHLOCH-UHFFFAOYSA-N 0 0 290.370 3.923 20 10 CHCDRN CCc1cccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000877614969 1125053388 /nfs/dbraw/zinc/05/33/88/1125053388.db2.gz PXXXJZGYZXNKEN-UHFFFAOYSA-N 0 0 277.314 3.523 20 10 CHCDRN COc1ccc(N(C)Cc2scnc2Cl)cc1F ZINC000878185663 1125128990 /nfs/dbraw/zinc/12/89/90/1125128990.db2.gz BZANWYCRAGLIKT-UHFFFAOYSA-N 0 0 286.759 3.581 20 10 CHCDRN CC[C@@H]1CCC[C@@]1(C)C(=O)N(C)Cc1ccccc1O ZINC000878276473 1125137341 /nfs/dbraw/zinc/13/73/41/1125137341.db2.gz BHAGLGZXWWFVGB-RHSMWYFYSA-N 0 0 275.392 3.567 20 10 CHCDRN C[C@@H](NCc1ncc(C(C)(C)C)o1)c1ccccc1O ZINC000879649280 1125222644 /nfs/dbraw/zinc/22/26/44/1125222644.db2.gz OZNURMAOXFPTBR-LLVKDONJSA-N 0 0 274.364 3.529 20 10 CHCDRN CCCCc1noc([C@H](C)N[C@@H](C)c2ccccc2O)n1 ZINC000879652373 1125224531 /nfs/dbraw/zinc/22/45/31/1125224531.db2.gz ZJBURHNUOVDKLC-RYUDHWBXSA-N 0 0 289.379 3.530 20 10 CHCDRN C/C=C/C=C/C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000880200371 1125255665 /nfs/dbraw/zinc/25/56/65/1125255665.db2.gz WPNCLBSRXDJDPN-CPSCNVPRSA-N 0 0 286.419 3.624 20 10 CHCDRN Clc1cnc(SC[C@@H]2CCC3(CCC3)O2)s1 ZINC000882239122 1125341798 /nfs/dbraw/zinc/34/17/98/1125341798.db2.gz QREOGAPQTSZEKI-QMMMGPOBSA-N 0 0 275.826 3.990 20 10 CHCDRN COc1ccccc1[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882879787 1125359991 /nfs/dbraw/zinc/35/99/91/1125359991.db2.gz MRSSXGXCIUIXPS-SNVBAGLBSA-N 0 0 293.313 3.530 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000882935646 1125362511 /nfs/dbraw/zinc/36/25/11/1125362511.db2.gz YHSDVOWEYLXSFN-OAHLLOKOSA-N 0 0 293.288 3.587 20 10 CHCDRN CC(C)([NH2+]Cc1cc(F)cc(F)c1[O-])c1cccs1 ZINC000883007873 1125367372 /nfs/dbraw/zinc/36/73/72/1125367372.db2.gz JRHNXIMWEKHKFA-UHFFFAOYSA-N 0 0 283.343 3.757 20 10 CHCDRN CCc1cccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000883158766 1125374279 /nfs/dbraw/zinc/37/42/79/1125374279.db2.gz QTELFJYBUWJMQJ-UHFFFAOYSA-N 0 0 277.314 3.523 20 10 CHCDRN COc1ccc(O)c(CNc2cccc3ccncc32)c1 ZINC000131459315 1125392680 /nfs/dbraw/zinc/39/26/80/1125392680.db2.gz GQLTUTREOSDJHE-UHFFFAOYSA-N 0 0 280.327 3.561 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@H]1CCCOC1 ZINC000883353286 1125400295 /nfs/dbraw/zinc/40/02/95/1125400295.db2.gz ROCJJEFFUDVLAS-HUBLWGQQSA-N 0 0 297.826 3.901 20 10 CHCDRN CC[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1ccc(F)cc1[O-] ZINC000883368809 1125403099 /nfs/dbraw/zinc/40/30/99/1125403099.db2.gz BVGCNCACEGNHKC-OIISXLGYSA-N 0 0 293.382 3.674 20 10 CHCDRN COc1cccc(C[N@@H+]2CCC[C@H]2C2CCCC2)c1O ZINC000132827763 1125423933 /nfs/dbraw/zinc/42/39/33/1125423933.db2.gz WRZODKRRTKYNDN-HNNXBMFYSA-N 0 0 275.392 3.555 20 10 CHCDRN CC[C@@H](C)CCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000795202755 1129188169 /nfs/dbraw/zinc/18/81/69/1129188169.db2.gz ASJIOOVCFJRMLY-OAHLLOKOSA-N 0 0 288.435 3.729 20 10 CHCDRN COc1ccc(CNc2cc[nH+]c3cc(F)ccc23)c(O)c1 ZINC000795284036 1129209182 /nfs/dbraw/zinc/20/91/82/1129209182.db2.gz GTRRMBZFKRXDES-UHFFFAOYSA-N 0 0 298.317 3.700 20 10 CHCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001237938058 1129221835 /nfs/dbraw/zinc/22/18/35/1129221835.db2.gz XGRBGPAXZAJYIQ-QMMMGPOBSA-N 0 0 293.716 3.662 20 10 CHCDRN CN(C)c1ccc(N[C@H]2CCc3cccc(O)c32)cc1 ZINC000296636292 1129223458 /nfs/dbraw/zinc/22/34/58/1129223458.db2.gz CPBBXQRQVYREEK-HNNXBMFYSA-N 0 0 268.360 3.558 20 10 CHCDRN CN(C)c1ccc(NCc2ccccc2O)cc1Cl ZINC000037781244 1129269011 /nfs/dbraw/zinc/26/90/11/1129269011.db2.gz DWLHQDJRMIKFLW-UHFFFAOYSA-N 0 0 276.767 3.724 20 10 CHCDRN Cc1csc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000379088947 1129285572 /nfs/dbraw/zinc/28/55/72/1129285572.db2.gz CYGYZBWLVVWJCP-UHFFFAOYSA-N 0 0 267.781 3.705 20 10 CHCDRN C[C@H](CCC1CCCCC1)NC(=O)C1=CC(=O)CS1 ZINC000734552720 1129313438 /nfs/dbraw/zinc/31/34/38/1129313438.db2.gz LZTUONCTVUVTRJ-LLVKDONJSA-N 0 0 281.421 3.933 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC(C)(C)C ZINC000737819856 1129388932 /nfs/dbraw/zinc/38/89/32/1129388932.db2.gz YZYMKEZAVPAGIS-UHFFFAOYSA-N 0 0 290.451 3.927 20 10 CHCDRN CC/C(C)=C/C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000822268754 1131372170 /nfs/dbraw/zinc/37/21/70/1131372170.db2.gz GIRJSDXELGHXDA-FYWRMAATSA-N 0 0 288.435 3.848 20 10 CHCDRN CC[C@@H]1C[C@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000822268497 1131372813 /nfs/dbraw/zinc/37/28/13/1131372813.db2.gz CGEDXMGYJMUDED-NVXWUHKLSA-N 0 0 288.435 3.537 20 10 CHCDRN O=C(NC1(c2cccc(Cl)c2)CC1)C1=CC(=O)CS1 ZINC000740942996 1129424272 /nfs/dbraw/zinc/42/42/72/1129424272.db2.gz PNQOIKOPCSRJIJ-UHFFFAOYSA-N 0 0 293.775 3.526 20 10 CHCDRN COc1ccc2c(c1)CCCCN2Cc1cccc(C)n1 ZINC000766267482 1129432404 /nfs/dbraw/zinc/43/24/04/1129432404.db2.gz BPRUHYAIJQJUPS-UHFFFAOYSA-N 0 0 282.387 3.742 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[O-]c1cc(F)c(Cl)cc1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000816609251 1131114200 /nfs/dbraw/zinc/11/42/00/1131114200.db2.gz WAKLCLRMZPSGRP-UHFFFAOYSA-N 0 0 297.679 3.617 20 10 CHCDRN CCCC[C@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000799923167 1131116025 /nfs/dbraw/zinc/11/60/25/1131116025.db2.gz CWTPNVYPGGZEFZ-AWEZNQCLSA-N 0 0 288.435 3.512 20 10 CHCDRN CC(C)(C)C1CC([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000816642321 1131117851 /nfs/dbraw/zinc/11/78/51/1131117851.db2.gz WHIOBCABVNCHOH-UHFFFAOYSA-N 0 0 267.800 3.960 20 10 CHCDRN CN(Cc1cc(-c2ccc(F)cc2)ccc1O)CC(F)F ZINC001237649491 1131123980 /nfs/dbraw/zinc/12/39/80/1131123980.db2.gz LICQSAJFGSVTGY-UHFFFAOYSA-N 0 0 295.304 3.895 20 10 CHCDRN Cc1cc(Cl)cc(CN2CC[C@@](C)(F)[C@@H](F)C2)c1O ZINC001237681988 1131127124 /nfs/dbraw/zinc/12/71/24/1131127124.db2.gz VLBHFAQCTCPCEV-GXTWGEPZSA-N 0 0 289.753 3.626 20 10 CHCDRN [O-]c1c(Cl)cc(F)cc1C[NH+]1CC2(C1)CCCC2 ZINC001237800445 1131140465 /nfs/dbraw/zinc/14/04/65/1131140465.db2.gz ONZZYCIRJVPZEH-UHFFFAOYSA-N 0 0 269.747 3.561 20 10 CHCDRN CCN1C(=O)/C(=C/c2cccc(C3CC3)c2)SC1=S ZINC000817343118 1131155547 /nfs/dbraw/zinc/15/55/47/1131155547.db2.gz ZHZLDHNIDFPYKF-LCYFTJDESA-N 0 0 289.425 3.785 20 10 CHCDRN Cc1c(F)cccc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000817428860 1131163267 /nfs/dbraw/zinc/16/32/67/1131163267.db2.gz YUZHSCVSKKQMMK-UHFFFAOYSA-N 0 0 298.361 3.987 20 10 CHCDRN C=C/C=C\CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001135968438 1131177413 /nfs/dbraw/zinc/17/74/13/1131177413.db2.gz XLXJFOFICHGHIF-XQRVVYSFSA-N 0 0 298.430 3.768 20 10 CHCDRN Cc1cc(NCc2ccc(N(C)C)c(F)c2)nn1C(C)C ZINC000817709817 1131180514 /nfs/dbraw/zinc/18/05/14/1131180514.db2.gz ATTMFDLILUYOGA-UHFFFAOYSA-N 0 0 290.386 3.590 20 10 CHCDRN Cc1c(C)n(C)c2ccc(OC(=O)COC(C)(C)C)cc12 ZINC000817762354 1131183983 /nfs/dbraw/zinc/18/39/83/1131183983.db2.gz UXBAYBLFUXITAP-UHFFFAOYSA-N 0 0 289.375 3.516 20 10 CHCDRN CC[C@H](Nc1ccc2c(c1)CCN2)c1ccccc1O ZINC000817950804 1131189412 /nfs/dbraw/zinc/18/94/12/1131189412.db2.gz ZGFVHUHFXQAGJJ-HNNXBMFYSA-N 0 0 268.360 3.923 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cc(C)cc(N)c1)c1ccc(F)cc1[O-] ZINC000817980397 1131194589 /nfs/dbraw/zinc/19/45/89/1131194589.db2.gz LBXRVKMADKWTAP-MRXNPFEDSA-N 0 0 288.366 3.663 20 10 CHCDRN CC[C@H]([NH2+][C@@H](CN)C1CCCC1)c1cccc(Cl)c1[O-] ZINC000817982099 1131195155 /nfs/dbraw/zinc/19/51/55/1131195155.db2.gz POQCJPWVQCGJFI-GJZGRUSLSA-N 0 0 296.842 3.604 20 10 CHCDRN C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@@H](C)C1 ZINC000226345797 1131200643 /nfs/dbraw/zinc/20/06/43/1131200643.db2.gz OXZXYIDFHGRRSX-UHIISALHSA-N 0 0 267.800 3.960 20 10 CHCDRN CO[C@@H](CSc1ncc(-c2ccccc2)n1C)C1CC1 ZINC000818064744 1131200998 /nfs/dbraw/zinc/20/09/98/1131200998.db2.gz GIQNJJKGYPHKRT-HNNXBMFYSA-N 0 0 288.416 3.604 20 10 CHCDRN CC[C@@H](C)n1ncc(C(=O)Nc2ccc(N)cc2)c1C1CC1 ZINC000818556463 1131216938 /nfs/dbraw/zinc/21/69/38/1131216938.db2.gz STPQKVBKVJQNKU-LLVKDONJSA-N 0 0 298.390 3.566 20 10 CHCDRN C[C@H]1c2ccccc2CC[N@H+]1Cc1c([O-])cccc1F ZINC001137832045 1131420114 /nfs/dbraw/zinc/42/01/14/1131420114.db2.gz YGOSCCLAHUBBBN-LBPRGKRZSA-N 0 0 271.335 3.651 20 10 CHCDRN CC[N@H+](Cc1c([O-])cccc1F)C1CCCCC1 ZINC001137832055 1131420196 /nfs/dbraw/zinc/42/01/96/1131420196.db2.gz YYFCISIUVWYNLC-UHFFFAOYSA-N 0 0 251.345 3.686 20 10 CHCDRN COC(=O)c1cnc(S[C@H]2CCc3ccccc32)s1 ZINC000829677861 1131428581 /nfs/dbraw/zinc/42/85/81/1131428581.db2.gz OYOCUHSAOLXBBU-NSHDSACASA-N 0 0 291.397 3.709 20 10 CHCDRN C[C@@H](NC(=O)[C@]1(C)CC=CCC1)c1ccc(N(C)C)cc1 ZINC000829816374 1131434918 /nfs/dbraw/zinc/43/49/18/1131434918.db2.gz ACVYFKQVCZQIMX-RDTXWAMCSA-N 0 0 286.419 3.676 20 10 CHCDRN [O-]c1c(F)cccc1C[N@@H+]1CCSc2ccccc2C1 ZINC001138129930 1131469696 /nfs/dbraw/zinc/46/96/96/1131469696.db2.gz ZXOIZHFAKGBANP-UHFFFAOYSA-N 0 0 289.375 3.639 20 10 CHCDRN Cc1c(C[N@H+]2CC[C@@H](C)[C@H](F)C2)c2ccccc2n1C ZINC001138252684 1131482547 /nfs/dbraw/zinc/48/25/47/1131482547.db2.gz QBSSFXUJZCLYFO-MLGOLLRUSA-N 0 0 274.383 3.667 20 10 CHCDRN COc1ccc(N(C)Cc2cc(C(C)(C)C)on2)cc1 ZINC000844353359 1131554296 /nfs/dbraw/zinc/55/42/96/1131554296.db2.gz UABAGCDZGPCLCU-UHFFFAOYSA-N 0 0 274.364 3.617 20 10 CHCDRN CCc1cccc(NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001202888980 1131576731 /nfs/dbraw/zinc/57/67/31/1131576731.db2.gz PTVBJTXCMNFLIS-LBPRGKRZSA-N 0 0 284.359 3.837 20 10 CHCDRN CCc1cc(C[N@H+](C)Cc2ccccc2O)cc(CC)c1O ZINC001144150985 1131591355 /nfs/dbraw/zinc/59/13/55/1131591355.db2.gz LSRJWPYTTYZCGZ-UHFFFAOYSA-N 0 0 299.414 3.855 20 10 CHCDRN CN(Cc1ccccc1O)Cc1cc(Cl)cnc1Cl ZINC001139359645 1131605388 /nfs/dbraw/zinc/60/53/88/1131605388.db2.gz VNJZXXLJTNUIES-UHFFFAOYSA-N 0 0 297.185 3.726 20 10 CHCDRN Nc1ccc(Cc2noc([C@H]3C[C@@H]3C3CCCC3)n2)cc1 ZINC000844905774 1131606241 /nfs/dbraw/zinc/60/62/41/1131606241.db2.gz GFKKAHAMZDCTBP-CABCVRRESA-N 0 0 283.375 3.536 20 10 CHCDRN CCN(CCCCCF)c1ccc(OC)c(OC)c1 ZINC000792870066 1131659644 /nfs/dbraw/zinc/65/96/44/1131659644.db2.gz HJTDFFVLKMXKEX-UHFFFAOYSA-N 0 0 269.360 3.670 20 10 CHCDRN Cc1cc(N(C)c2ccc(N)cc2)cnc1OCC(C)C ZINC001203012542 1131677419 /nfs/dbraw/zinc/67/74/19/1131677419.db2.gz JCIUOYHYBOFNCW-UHFFFAOYSA-N 0 0 285.391 3.775 20 10 CHCDRN COc1cccc([C@@H](C)Nc2ccc(F)c(OC)c2)c1O ZINC000846162366 1131692921 /nfs/dbraw/zinc/69/29/21/1131692921.db2.gz AHLVSGATWBMNEZ-SNVBAGLBSA-N 0 0 291.322 3.722 20 10 CHCDRN COc1cccc([C@@H](C)Nc2ccc(N(C)C)cc2)c1O ZINC000846160941 1131692999 /nfs/dbraw/zinc/69/29/99/1131692999.db2.gz XKJFGRJGNFIBDS-GFCCVEGCSA-N 0 0 286.375 3.640 20 10 CHCDRN C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000846214239 1131699597 /nfs/dbraw/zinc/69/95/97/1131699597.db2.gz QGNNLKJJHSTMOL-RKDXNWHRSA-N 0 0 257.324 3.756 20 10 CHCDRN Oc1cccc(Cl)c1CN1CCC[C@@H](F)C(F)(F)C1 ZINC001140337983 1131702463 /nfs/dbraw/zinc/70/24/63/1131702463.db2.gz POQZGJVMAYRAKB-GFCCVEGCSA-N 0 0 293.716 3.615 20 10 CHCDRN COc1cc(C)c(N[C@@H]2CCc3cccc(O)c32)cc1F ZINC000834770467 1131704143 /nfs/dbraw/zinc/70/41/43/1131704143.db2.gz UXGQCBIXLWCGQQ-CYBMUJFWSA-N 0 0 287.334 3.948 20 10 CHCDRN COCC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCCCC1 ZINC000834807937 1131706923 /nfs/dbraw/zinc/70/69/23/1131706923.db2.gz VBHHMOKFOIRDDL-OAHLLOKOSA-N 0 0 289.419 3.566 20 10 CHCDRN CC[C@@H](N[C@H](C)c1ccc(N(C)CC)cc1)C(F)F ZINC000834826639 1131707627 /nfs/dbraw/zinc/70/76/27/1131707627.db2.gz GIUZGWCTIDCIQU-BXUZGUMPSA-N 0 0 270.367 3.837 20 10 CHCDRN CC[C@H](N[C@@H](CC)C(F)F)c1ccc(F)cc1O ZINC000834826607 1131707825 /nfs/dbraw/zinc/70/78/25/1131707825.db2.gz FQZMZYQYDJXPMG-QWRGUYRKSA-N 0 0 261.287 3.616 20 10 CHCDRN CC[C@@H]([NH2+]CCCC1CCOCC1)c1ccc(F)cc1[O-] ZINC000834818062 1131707911 /nfs/dbraw/zinc/70/79/11/1131707911.db2.gz HDWIEEOUCKODPP-MRXNPFEDSA-N 0 0 295.398 3.779 20 10 CHCDRN CCC1(C(=O)NCc2cc(Cl)ccc2O)CCCC1 ZINC000846475756 1131710641 /nfs/dbraw/zinc/71/06/41/1131710641.db2.gz IGKIACKSOXVJFL-UHFFFAOYSA-N 0 0 281.783 3.632 20 10 CHCDRN CCCc1occc1C(=O)NCc1cc(Cl)ccc1O ZINC000846473952 1131711227 /nfs/dbraw/zinc/71/12/27/1131711227.db2.gz OSOIYOWABRFDHP-UHFFFAOYSA-N 0 0 293.750 3.521 20 10 CHCDRN CC1(C(=O)NCc2cc(Cl)ccc2O)CCCCC1 ZINC000846472654 1131711418 /nfs/dbraw/zinc/71/14/18/1131711418.db2.gz DGIRUVSUGBIEMD-UHFFFAOYSA-N 0 0 281.783 3.632 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1ccc(F)cc1[O-] ZINC000834883959 1131717903 /nfs/dbraw/zinc/71/79/03/1131717903.db2.gz VKLRVCOJRLOOPX-QWHCGFSZSA-N 0 0 293.382 3.531 20 10 CHCDRN Nc1ccc(NC(=O)/C=C\C2CCCCCC2)cc1 ZINC000846662749 1131717989 /nfs/dbraw/zinc/71/79/89/1131717989.db2.gz XLMYBGGHMHDSQH-GHXNOFRVSA-N 0 0 258.365 3.734 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-])[C@@H](C)O ZINC000834886180 1131718338 /nfs/dbraw/zinc/71/83/38/1131718338.db2.gz ADDPLXUWQVKCFB-RWYTXXIDSA-N 0 0 292.206 3.509 20 10 CHCDRN Nc1ccc(NC(=O)/C=C/C2CCCCCC2)cc1 ZINC000846662750 1131718648 /nfs/dbraw/zinc/71/86/48/1131718648.db2.gz XLMYBGGHMHDSQH-KPKJPENVSA-N 0 0 258.365 3.734 20 10 CHCDRN C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1ccc(F)cc1[O-] ZINC000834885507 1131718751 /nfs/dbraw/zinc/71/87/51/1131718751.db2.gz XACAHBHJAYMUQN-UFBFGSQYSA-N 0 0 292.181 3.766 20 10 CHCDRN CC[C@H]([NH2+][C@H]1COCC1(C)C)c1cccc(Cl)c1[O-] ZINC000834903117 1131727187 /nfs/dbraw/zinc/72/71/87/1131727187.db2.gz ILDLLGYKSTYRBY-STQMWFEESA-N 0 0 283.799 3.511 20 10 CHCDRN CN(C[C@H]1CCCCO1)c1ccc(-c2nccs2)cc1 ZINC000846747982 1131727556 /nfs/dbraw/zinc/72/75/56/1131727556.db2.gz DFMRJZDGTXTSID-OAHLLOKOSA-N 0 0 288.416 3.815 20 10 CHCDRN CN(C[C@@H]1CCCOC1)c1ccc(-c2nccs2)cc1 ZINC000846750039 1131728620 /nfs/dbraw/zinc/72/86/20/1131728620.db2.gz LKZAGDZBSIRGGL-ZDUSSCGKSA-N 0 0 288.416 3.673 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)[C@H](OC)C1CC1)c1cccc(Cl)c1[O-] ZINC000834903897 1131728676 /nfs/dbraw/zinc/72/86/76/1131728676.db2.gz MBUANVJCEUDMHA-FSBGKCOPSA-N 0 0 297.826 3.900 20 10 CHCDRN C[C@@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1ccc(F)cc1[O-] ZINC000834907239 1131730427 /nfs/dbraw/zinc/73/04/27/1131730427.db2.gz ZIOCVZHZWGNEGA-GFCCVEGCSA-N 0 0 295.398 3.513 20 10 CHCDRN CC[C@@H](Nc1cccc(CCO)c1)c1ccc(C)cc1O ZINC000834913473 1131731366 /nfs/dbraw/zinc/73/13/66/1131731366.db2.gz PVYCVBBYCXVXBK-QGZVFWFLSA-N 0 0 285.387 3.799 20 10 CHCDRN CC(C)c1nn(C)cc1NC/C=C/c1ccc(N(C)C)cc1 ZINC000835052667 1131766633 /nfs/dbraw/zinc/76/66/33/1131766633.db2.gz PUVYLUXLMVBUBM-VOTSOKGWSA-N 0 0 298.434 3.735 20 10 CHCDRN C[C@@H](Oc1ccc(N(C)C)cc1)c1cccc(N(C)C)c1 ZINC001227939057 1131772933 /nfs/dbraw/zinc/77/29/33/1131772933.db2.gz JXRNYAASNFNYPZ-CQSZACIVSA-N 0 0 284.403 3.959 20 10 CHCDRN CCN(Cc1ccccc1O)Cc1c(F)cc(F)cc1F ZINC001140535012 1131782270 /nfs/dbraw/zinc/78/22/70/1131782270.db2.gz WQLNGBVIOZLJNG-UHFFFAOYSA-N 0 0 295.304 3.832 20 10 CHCDRN CC(C)C1CC[NH+](Cc2c([O-])cc(F)cc2F)CC1 ZINC001140584065 1131810449 /nfs/dbraw/zinc/81/04/49/1131810449.db2.gz FIVJSUHVUUFNDM-UHFFFAOYSA-N 0 0 269.335 3.538 20 10 CHCDRN CC[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(C)cc1C ZINC001148224676 1131846672 /nfs/dbraw/zinc/84/66/72/1131846672.db2.gz SBSSUCVCBLPNLP-OAHLLOKOSA-N 0 0 299.370 3.596 20 10 CHCDRN CCC[C@H](NC(=O)N[C@@H](C)c1ccccc1O)C(C)(C)C ZINC001228587063 1131916901 /nfs/dbraw/zinc/91/69/01/1131916901.db2.gz ZUTAKYTVGUGGJC-WFASDCNBSA-N 0 0 292.423 3.967 20 10 CHCDRN C[C@@H](NC(=O)[C@@H](C)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773011036 1131919272 /nfs/dbraw/zinc/91/92/72/1131919272.db2.gz VRRYQUZVASYEKQ-CHWSQXEVSA-N 0 0 276.424 3.612 20 10 CHCDRN CCC1(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCCC1 ZINC000773016108 1131920259 /nfs/dbraw/zinc/92/02/59/1131920259.db2.gz SWPZATBBDVPEKP-CQSZACIVSA-N 0 0 288.435 3.900 20 10 CHCDRN CCC1(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCC1 ZINC000773018518 1131920824 /nfs/dbraw/zinc/92/08/24/1131920824.db2.gz MHRDKLHSWCVCAY-ZDUSSCGKSA-N 0 0 274.408 3.510 20 10 CHCDRN C/C(=C/C(C)(C)C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773021049 1131920950 /nfs/dbraw/zinc/92/09/50/1131920950.db2.gz QYBRVONLGNVYPI-DINCDJDBSA-N 0 0 288.435 3.922 20 10 CHCDRN CCC[C@@H](C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773014888 1131921021 /nfs/dbraw/zinc/92/10/21/1131921021.db2.gz MNXQCBASZWMVGK-ZIAGYGMSSA-N 0 0 276.424 3.756 20 10 CHCDRN C[C@@H](NC(=O)C[C@@H]1CC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773021859 1131921526 /nfs/dbraw/zinc/92/15/26/1131921526.db2.gz UQNGFLQIUMRLME-RBSFLKMASA-N 0 0 288.435 3.756 20 10 CHCDRN CCc1cncnc1NCc1cc2ccccc2cc1O ZINC001171400595 1131969112 /nfs/dbraw/zinc/96/91/12/1131969112.db2.gz WIVLJPCBPSXNHW-UHFFFAOYSA-N 0 0 279.343 3.510 20 10 CHCDRN Cc1ccc(C[N@H+]2Cc3ccccc3C[C@@H]2C)c(O)c1 ZINC001140958256 1131973718 /nfs/dbraw/zinc/97/37/18/1131973718.db2.gz WGKSSFQOVIAJKM-AWEZNQCLSA-N 0 0 267.372 3.647 20 10 CHCDRN CC(=O)Nc1ccc(N[C@@H](C)c2ccccc2O)cc1C ZINC000036919203 1131980766 /nfs/dbraw/zinc/98/07/66/1131980766.db2.gz SDPLMLIFWMQCHF-LBPRGKRZSA-N 0 0 284.359 3.832 20 10 CHCDRN CN(C)c1ccc(CNc2cccc(OC(F)F)c2)cc1 ZINC000037006020 1131987503 /nfs/dbraw/zinc/98/75/03/1131987503.db2.gz QUOMOTQBNBWMJF-UHFFFAOYSA-N 0 0 292.329 3.966 20 10 CHCDRN CCC[C@H](CC)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773240412 1132011175 /nfs/dbraw/zinc/01/11/75/1132011175.db2.gz DSGSIDGJGFLESX-HIFRSBDPSA-N 0 0 291.439 3.692 20 10 CHCDRN CC[C@H]1CC[C@H](NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000838601129 1132141478 /nfs/dbraw/zinc/14/14/78/1132141478.db2.gz FSBXFMASZHBRJB-CTYIDZIISA-N 0 0 290.407 3.502 20 10 CHCDRN CC[C@H](NC(=O)N(C)Cc1ccccc1O)C1CCCC1 ZINC000838705513 1132144688 /nfs/dbraw/zinc/14/46/88/1132144688.db2.gz SHWGTIUTWLXJFY-HNNXBMFYSA-N 0 0 290.407 3.502 20 10 CHCDRN C[C@H](NC(=O)NC1[C@H](C)CCC[C@H]1C)c1ccccc1O ZINC001230051255 1132150136 /nfs/dbraw/zinc/15/01/36/1132150136.db2.gz XWWYBXYNSFXZNL-UPJWGTAASA-N 0 0 290.407 3.577 20 10 CHCDRN CC[C@@H]([NH2+][C@@H]1CCO[C@H]1CC)c1cccc(Cl)c1[O-] ZINC000840819961 1132290568 /nfs/dbraw/zinc/29/05/68/1132290568.db2.gz FGDGCUWIJSMHHQ-MCIONIFRSA-N 0 0 283.799 3.654 20 10 CHCDRN CCc1ccc(NC(=S)NCc2ccc(C)c(C)n2)cc1 ZINC000840844122 1132292999 /nfs/dbraw/zinc/29/29/99/1132292999.db2.gz OUKGMWKMDIQAGH-UHFFFAOYSA-N 0 0 299.443 3.747 20 10 CHCDRN C[C@H]([NH2+]CC(C)(C)OCC1CC1)c1cc(F)cc(F)c1[O-] ZINC000840876892 1132301203 /nfs/dbraw/zinc/30/12/03/1132301203.db2.gz QKXYSQNEZSMZNT-JTQLQIEISA-N 0 0 299.361 3.526 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)c1csnn1)c1cccc(Cl)c1[O-] ZINC000840886267 1132302096 /nfs/dbraw/zinc/30/20/96/1132302096.db2.gz UJWAUEFNCRETGK-LDYMZIIASA-N 0 0 297.811 3.699 20 10 CHCDRN CC[C@@H](N[C@@H](C)c1csnn1)c1cc(Cl)ccc1O ZINC000840885717 1132302294 /nfs/dbraw/zinc/30/22/94/1132302294.db2.gz GGMWCYCHIMEIJJ-GZMMTYOYSA-N 0 0 297.811 3.699 20 10 CHCDRN CC[C@@H](N[C@H](C)c1csnn1)c1cc(Cl)ccc1O ZINC000840885721 1132303279 /nfs/dbraw/zinc/30/32/79/1132303279.db2.gz GGMWCYCHIMEIJJ-LDYMZIIASA-N 0 0 297.811 3.699 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1cccc(Cl)c1[O-] ZINC000840893690 1132306378 /nfs/dbraw/zinc/30/63/78/1132306378.db2.gz LBHQSYDYIASTHT-HUBLWGQQSA-N 0 0 297.826 3.637 20 10 CHCDRN C[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])CC(F)(F)F ZINC000840963572 1132314287 /nfs/dbraw/zinc/31/42/87/1132314287.db2.gz MHQWSLVIVPIYQL-SSDOTTSWSA-N 0 0 299.695 3.863 20 10 CHCDRN CC[C@@H](c1ccccc1)[N@H+](C)Cc1cc(C(=O)[O-])ccc1O ZINC001231565563 1132315737 /nfs/dbraw/zinc/31/57/37/1132315737.db2.gz GIHSYHMZGPZTMY-INIZCTEOSA-N 0 0 299.370 3.674 20 10 CHCDRN CC(C)Oc1ccc(CNc2ccc(N)cc2)cc1 ZINC000841040641 1132323309 /nfs/dbraw/zinc/32/33/09/1132323309.db2.gz WAZFOFXVGDMXKI-UHFFFAOYSA-N 0 0 256.349 3.668 20 10 CHCDRN Cc1ccccc1-c1noc(-c2nnsc2C(C)C)n1 ZINC001212687268 1132335418 /nfs/dbraw/zinc/33/54/18/1132335418.db2.gz KMNDSFMUNKRJEH-UHFFFAOYSA-N 0 0 286.360 3.687 20 10 CHCDRN CCC[C@H](NC(=O)Nc1ccc(N)cc1)C1CCCC1 ZINC000841297457 1132342913 /nfs/dbraw/zinc/34/29/13/1132342913.db2.gz FJYIUHSDNZPEAO-HNNXBMFYSA-N 0 0 275.396 3.749 20 10 CHCDRN CC[C@@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(N)cc1 ZINC000841300927 1132344258 /nfs/dbraw/zinc/34/42/58/1132344258.db2.gz XCRCUWNRNFKHON-KRWDZBQOSA-N 0 0 297.402 3.754 20 10 CHCDRN Cc1cc(C)c(CN2Cc3cccc(F)c3C2)c(O)c1 ZINC001231846117 1132377661 /nfs/dbraw/zinc/37/76/61/1132377661.db2.gz GPQHVDSSONFKOR-UHFFFAOYSA-N 0 0 271.335 3.664 20 10 CHCDRN Cc1nc2c(s1)CN(Cc1cc(Cl)c(C)cc1O)C2 ZINC001231871613 1132383756 /nfs/dbraw/zinc/38/37/56/1132383756.db2.gz OGXDOFWANXYLDB-UHFFFAOYSA-N 0 0 294.807 3.635 20 10 CHCDRN C[C@H]([NH2+][C@H]1CC=CCC1)c1ccc(Cl)cc1[O-] ZINC000841748962 1132389430 /nfs/dbraw/zinc/38/94/30/1132389430.db2.gz MSWPQFFIDPHLDD-JQWIXIFHSA-N 0 0 251.757 3.805 20 10 CHCDRN C[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc(Cl)cc1[O-] ZINC000841749346 1132389686 /nfs/dbraw/zinc/38/96/86/1132389686.db2.gz CWMHHKUYCYWPKF-SECBINFHSA-N 0 0 251.757 3.639 20 10 CHCDRN C[C@H](N[C@H]1CCCC1(F)F)c1ccc(Cl)cc1O ZINC000841753077 1132391215 /nfs/dbraw/zinc/39/12/15/1132391215.db2.gz DVDMNYDFUWOUHU-UFBFGSQYSA-N 0 0 275.726 3.884 20 10 CHCDRN C[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(Cl)cc1[O-] ZINC000841754621 1132391443 /nfs/dbraw/zinc/39/14/43/1132391443.db2.gz UDKDOMDXEKEIRR-WCQYABFASA-N 0 0 283.799 3.655 20 10 CHCDRN CSC1(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCC1 ZINC000841752172 1132392104 /nfs/dbraw/zinc/39/21/04/1132392104.db2.gz MPLODGKQQMEHTE-JTQLQIEISA-N 0 0 285.840 3.982 20 10 CHCDRN C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccc(Cl)cc1[O-] ZINC000841752904 1132392680 /nfs/dbraw/zinc/39/26/80/1132392680.db2.gz VVFLNGAOAWOIDF-NXEZZACHSA-N 0 0 253.773 3.885 20 10 CHCDRN C[C@@H]([NH2+]CC1(C)CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841753271 1132392878 /nfs/dbraw/zinc/39/28/78/1132392878.db2.gz YLVLMTBVERAIQN-LLVKDONJSA-N 0 0 283.799 3.513 20 10 CHCDRN CC(C)C1([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841756760 1132394777 /nfs/dbraw/zinc/39/47/77/1132394777.db2.gz KAQKSVKFBKTRCO-JTQLQIEISA-N 0 0 253.773 3.885 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1[O-] ZINC000841759268 1132395294 /nfs/dbraw/zinc/39/52/94/1132395294.db2.gz XVENUWGZWFOICG-RYUDHWBXSA-N 0 0 297.826 3.901 20 10 CHCDRN C[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CCC1(F)F ZINC001231909484 1132399010 /nfs/dbraw/zinc/39/90/10/1132399010.db2.gz FQFVWSOMIYHIQB-JTQLQIEISA-N 0 0 289.753 3.913 20 10 CHCDRN C[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])CCC[C@@H]1C ZINC001231911048 1132399038 /nfs/dbraw/zinc/39/90/38/1132399038.db2.gz ZQMPTCGRBROQCL-RYUDHWBXSA-N 0 0 267.800 3.914 20 10 CHCDRN C[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2[O-])C[C@@H]1C ZINC001142508942 1132402871 /nfs/dbraw/zinc/40/28/71/1132402871.db2.gz QMRLKQCXAANDQX-MNOVXSKESA-N 0 0 269.335 3.538 20 10 CHCDRN Oc1cc(F)c(F)cc1CN1Cc2ccc(Cl)cc2C1 ZINC001142526918 1132403197 /nfs/dbraw/zinc/40/31/97/1132403197.db2.gz BPBNXNYYGQAPDJ-UHFFFAOYSA-N 0 0 295.716 3.840 20 10 CHCDRN C[C@@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1cc(F)cc(F)c1[O-] ZINC000842921223 1132476409 /nfs/dbraw/zinc/47/64/09/1132476409.db2.gz OPFGBALJDXSJAF-JLLWLGSASA-N 0 0 299.361 3.667 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1cc(F)cc(F)c1[O-] ZINC000842929509 1132477843 /nfs/dbraw/zinc/47/78/43/1132477843.db2.gz OICFDELOOPWFCC-QFOLPQNPSA-N 0 0 267.319 3.510 20 10 CHCDRN Cc1nocc1N(Cc1ccccc1)c1ccc(N)cc1 ZINC001212724079 1132479936 /nfs/dbraw/zinc/47/99/36/1132479936.db2.gz XTJZCBQSESQWKY-UHFFFAOYSA-N 0 0 279.343 3.904 20 10 CHCDRN Cc1nocc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001212724046 1132480136 /nfs/dbraw/zinc/48/01/36/1132480136.db2.gz VWSVGPRLUFEGCU-UHFFFAOYSA-N 0 0 280.331 3.617 20 10 CHCDRN C[C@@H]1CCC[C@H](c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000843158979 1132499919 /nfs/dbraw/zinc/49/99/19/1132499919.db2.gz JSPYLHGTJFNPBQ-YPMHNXCESA-N 0 0 271.364 3.536 20 10 CHCDRN C[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])CC(F)F ZINC000843419406 1132529730 /nfs/dbraw/zinc/52/97/30/1132529730.db2.gz VQLWFOXJNBHBMN-SSDOTTSWSA-N 0 0 281.705 3.566 20 10 CHCDRN [O-]c1c(C[N@@H+]2CCCc3ccccc3C2)ccc(F)c1F ZINC001233077433 1132569207 /nfs/dbraw/zinc/56/92/07/1132569207.db2.gz NUEIELASEMQIEJ-UHFFFAOYSA-N 0 0 289.325 3.619 20 10 CHCDRN C[C@H]1CCC[C@H](C)[NH+]1Cc1c(O)cccc1Cl ZINC000131842454 1132573155 /nfs/dbraw/zinc/57/31/55/1132573155.db2.gz XCRSLXNLSXSLSQ-QWRGUYRKSA-N 0 0 253.773 3.809 20 10 CHCDRN C[C@H](NC(=O)[C@H]1C[C@H](C)C[C@H](C)C1)c1ccccc1O ZINC001151892035 1132574831 /nfs/dbraw/zinc/57/48/31/1132574831.db2.gz GCQJXVZGAFTDCO-RFQIPJPRSA-N 0 0 275.392 3.642 20 10 CHCDRN Cc1cc2c(cn1)CN(Cc1cc(C(C)(C)C)ccc1O)C2 ZINC001233287011 1132595251 /nfs/dbraw/zinc/59/52/51/1132595251.db2.gz SAAPVBKZBUQUNL-UHFFFAOYSA-N 0 0 296.414 3.909 20 10 CHCDRN CC[N@H+](Cc1ccc(Cl)o1)Cc1ccccc1O ZINC001233316909 1132599517 /nfs/dbraw/zinc/59/95/17/1132599517.db2.gz KUZCDMIAKJIZBV-UHFFFAOYSA-N 0 0 265.740 3.661 20 10 CHCDRN CCC[N@H+](Cc1c([O-])ccc(F)c1F)[C@H](C)CC ZINC001233331601 1132604163 /nfs/dbraw/zinc/60/41/63/1132604163.db2.gz CSUMGBJUPPLCDC-SNVBAGLBSA-N 0 0 257.324 3.681 20 10 CHCDRN C[N@H+](C/C=C/c1ccccc1)Cc1c([O-])ccc(F)c1F ZINC001233335376 1132604821 /nfs/dbraw/zinc/60/48/21/1132604821.db2.gz SFXFDICUWZOSGE-VMPITWQZSA-N 0 0 289.325 3.816 20 10 CHCDRN C[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2O)C[C@H]1F ZINC001233415857 1132618329 /nfs/dbraw/zinc/61/83/29/1132618329.db2.gz LBKKLIBUHNQYMW-BXKDBHETSA-N 0 0 291.288 3.591 20 10 CHCDRN C[C@H]1CCN(C(=O)C2=CC(=O)CS2)[C@H]1c1ccccc1 ZINC001154726244 1132622819 /nfs/dbraw/zinc/62/28/19/1132622819.db2.gz AFXDHWLITQLBLR-XHDPSFHLSA-N 0 0 287.384 3.677 20 10 CHCDRN Nc1ccc(N(c2ccncc2)c2ccc(N)cc2)cc1 ZINC001173884900 1132624989 /nfs/dbraw/zinc/62/49/89/1132624989.db2.gz XHKFFVWAASZWDV-UHFFFAOYSA-N 0 0 276.343 3.716 20 10 CHCDRN CCN(Cc1ccccc1O)c1ncnc2sc(C)cc21 ZINC001154882627 1132629178 /nfs/dbraw/zinc/62/91/78/1132629178.db2.gz WXKUNMVRBWMTBF-UHFFFAOYSA-N 0 0 299.399 3.732 20 10 CHCDRN CCN(Cc1ccccc1O)c1ncnc2cc(F)ccc21 ZINC001154890365 1132631174 /nfs/dbraw/zinc/63/11/74/1132631174.db2.gz XEIQKWOLVWOFGV-UHFFFAOYSA-N 0 0 297.333 3.501 20 10 CHCDRN CCN(Cc1ccccc1O)c1ccc2c(n1)CCCC2 ZINC001154889705 1132631464 /nfs/dbraw/zinc/63/14/64/1132631464.db2.gz FOJGYDHYPLDYDV-UHFFFAOYSA-N 0 0 282.387 3.693 20 10 CHCDRN CCN(Cc1ccccc1O)c1nnc(C)c2ccccc21 ZINC001154889167 1132631500 /nfs/dbraw/zinc/63/15/00/1132631500.db2.gz RIMNCTHLESTDHF-UHFFFAOYSA-N 0 0 293.370 3.670 20 10 CHCDRN CCN(Cc1ccccc1O)c1cnc2ccc(F)cc2n1 ZINC001154890363 1132631538 /nfs/dbraw/zinc/63/15/38/1132631538.db2.gz XEBMAHFUTRWNJM-UHFFFAOYSA-N 0 0 297.333 3.501 20 10 CHCDRN CCN(CC)C(=O)c1ccc(N(C)c2ccc(N)cc2)cc1 ZINC001174065177 1132690665 /nfs/dbraw/zinc/69/06/65/1132690665.db2.gz DBGZJKKOQFTIDC-UHFFFAOYSA-N 0 0 297.402 3.519 20 10 CHCDRN Cc1cc(Cl)cc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001156920852 1132715385 /nfs/dbraw/zinc/71/53/85/1132715385.db2.gz HTDURTLGZPMARI-UHFFFAOYSA-N 0 0 289.810 3.746 20 10 CHCDRN Cc1cc(C(C)C)nc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001156927287 1132716732 /nfs/dbraw/zinc/71/67/32/1132716732.db2.gz HGMZSVFYAHBNOG-UHFFFAOYSA-N 0 0 298.434 3.611 20 10 CHCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCCC(C)(C)C ZINC001157102975 1132722793 /nfs/dbraw/zinc/72/27/93/1132722793.db2.gz UAUATGKRAWSFGS-UHFFFAOYSA-N 0 0 298.423 3.711 20 10 CHCDRN Cc1ccc(Nc2cnn(C)c2)c(C(=O)c2ccccc2)c1 ZINC001174332554 1132794792 /nfs/dbraw/zinc/79/47/92/1132794792.db2.gz LNVUEZNAKNUXOP-UHFFFAOYSA-N 0 0 291.354 3.703 20 10 CHCDRN CCOC(=O)c1c(C)c(C)sc1Nc1ccc(N)cc1 ZINC001159153924 1132813199 /nfs/dbraw/zinc/81/31/99/1132813199.db2.gz TWJAOROMHKTYKJ-UHFFFAOYSA-N 0 0 290.388 3.867 20 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COc1ccc(OC(F)(F)F)cc1Nc1ccc(N)cc1 ZINC001159486220 1132855537 /nfs/dbraw/zinc/85/55/37/1132855537.db2.gz ZTBFYKDWKMVXSZ-UHFFFAOYSA-N 0 0 298.264 3.920 20 10 CHCDRN CCOc1cccc(Nc2ccc3c(c2)CCN3)c1F ZINC001159522634 1132857822 /nfs/dbraw/zinc/85/78/22/1132857822.db2.gz LZEPDYWZJGNQHH-UHFFFAOYSA-N 0 0 272.323 3.936 20 10 CHCDRN c1cc(Nc2ccc3c(c2)CCCN3)cc2c1NCC2 ZINC001159522930 1132858180 /nfs/dbraw/zinc/85/81/80/1132858180.db2.gz QBYYAWSXGPYSBJ-UHFFFAOYSA-N 0 0 265.360 3.756 20 10 CHCDRN Cc1n[nH]cc1N(Cc1ccccc1)c1ccc(N)cc1 ZINC001174476318 1132881189 /nfs/dbraw/zinc/88/11/89/1132881189.db2.gz CTQCZAKHGZJLPS-UHFFFAOYSA-N 0 0 278.359 3.639 20 10 CHCDRN CCOC(=O)c1cc(Nc2ccc(N)cc2)ccc1Cl ZINC001159706916 1132896863 /nfs/dbraw/zinc/89/68/63/1132896863.db2.gz PEFZLFAMPIEDKZ-UHFFFAOYSA-N 0 0 290.750 3.843 20 10 CHCDRN Nc1ccc(Nc2cc(F)cc3cccnc32)cc1 ZINC001159723596 1132900584 /nfs/dbraw/zinc/90/05/84/1132900584.db2.gz XEZOXTUBTDFLAY-UHFFFAOYSA-N 0 0 253.280 3.700 20 10 CHCDRN Nc1nc2ccc(Nc3ccc4c(c3)CCCN4)cc2s1 ZINC001159821606 1132912426 /nfs/dbraw/zinc/91/24/26/1132912426.db2.gz SKSJTWRLAHSWDC-UHFFFAOYSA-N 0 0 296.399 3.980 20 10 CHCDRN COc1cccc(Br)c1Nc1ccc(N)cc1 ZINC001159823537 1132912831 /nfs/dbraw/zinc/91/28/31/1132912831.db2.gz ZKIOMFFCFGRESA-UHFFFAOYSA-N 0 0 293.164 3.784 20 10 CHCDRN CCOc1nccc(Nc2ccc(NC)cc2)c1Cl ZINC001159827387 1132913805 /nfs/dbraw/zinc/91/38/05/1132913805.db2.gz OTGOVMOCOKDJDK-UHFFFAOYSA-N 0 0 277.755 3.919 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc(N)cc2F)cc1 ZINC001159836877 1132915228 /nfs/dbraw/zinc/91/52/28/1132915228.db2.gz JOUKCLXWSAJXAV-UHFFFAOYSA-N 0 0 259.328 3.972 20 10 CHCDRN COCc1ccc(NCc2cc3ccccc3cc2O)nc1 ZINC001160207239 1132946142 /nfs/dbraw/zinc/94/61/42/1132946142.db2.gz UYHQYCPCHZWUKK-UHFFFAOYSA-N 0 0 294.354 3.699 20 10 CHCDRN Nc1ccc(-n2c3ccccc3c3cccc(N)c32)cc1 ZINC001160360011 1132964984 /nfs/dbraw/zinc/96/49/84/1132964984.db2.gz GVJZMPWPSDPLRR-UHFFFAOYSA-N 0 0 273.339 3.948 20 10 CHCDRN Cc1cccc(CNC(F)(F)c2cccnc2Cl)c1O ZINC001160765114 1132979586 /nfs/dbraw/zinc/97/95/86/1132979586.db2.gz SMWHAXLDESZTST-UHFFFAOYSA-N 0 0 298.720 3.588 20 10 CHCDRN Cc1cccc(CNc2ncnc3c(C)cccc23)c1O ZINC001160768847 1132980066 /nfs/dbraw/zinc/98/00/66/1132980066.db2.gz BSIBQXSBCYSRRV-UHFFFAOYSA-N 0 0 279.343 3.564 20 10 CHCDRN Cc1cccc(CNc2ncc3ccc(Cl)cc3n2)c1O ZINC001160770348 1132980749 /nfs/dbraw/zinc/98/07/49/1132980749.db2.gz YTMVILOSWQTMNK-UHFFFAOYSA-N 0 0 299.761 3.909 20 10 CHCDRN Cc1cccc(CNc2nc3ccccc3nc2Cl)c1O ZINC001160770286 1132980777 /nfs/dbraw/zinc/98/07/77/1132980777.db2.gz XVOIEOLICHDKKE-UHFFFAOYSA-N 0 0 299.761 3.909 20 10 CHCDRN Cc1cccc(CNc2cc(Cl)nc(C)c2C)c1O ZINC001160769794 1132980969 /nfs/dbraw/zinc/98/09/69/1132980969.db2.gz VFQLWGHNKAXZMU-UHFFFAOYSA-N 0 0 276.767 3.978 20 10 CHCDRN Cc1cc(C)c(CNc2cnc(-c3ccco3)cn2)c(O)c1 ZINC001160810442 1132983039 /nfs/dbraw/zinc/98/30/39/1132983039.db2.gz QDCXAIGUQFXUSC-UHFFFAOYSA-N 0 0 295.342 3.671 20 10 CHCDRN Cc1cc(C)c(CNc2ccc3cccnc3n2)c(O)c1 ZINC001160810154 1132983084 /nfs/dbraw/zinc/98/30/84/1132983084.db2.gz KPXAUEGYIWIKHJ-UHFFFAOYSA-N 0 0 279.343 3.564 20 10 CHCDRN Cc1cc(C)c(CNc2ncnc3ccccc32)c(O)c1 ZINC001160808497 1132983100 /nfs/dbraw/zinc/98/31/00/1132983100.db2.gz UEQAVURUCCIOEO-UHFFFAOYSA-N 0 0 279.343 3.564 20 10 CHCDRN Cc1cc(C)c(CNc2cc(Cl)cc(C)n2)c(O)c1 ZINC001160808665 1132983335 /nfs/dbraw/zinc/98/33/35/1132983335.db2.gz XNBAEULKGZZKIC-UHFFFAOYSA-N 0 0 276.767 3.978 20 10 CHCDRN CC(C)N(C(=O)Cc1ccc(N)cc1)[C@@H](C)c1ccccc1 ZINC001161442627 1133001459 /nfs/dbraw/zinc/00/14/59/1133001459.db2.gz DETXMOVUFVTDAQ-HNNXBMFYSA-N 0 0 296.414 3.810 20 10 CHCDRN CC[C@@H](C)c1nc2[nH]ccc2c(NCc2ccc(N)cc2)n1 ZINC001162789880 1133112572 /nfs/dbraw/zinc/11/25/72/1133112572.db2.gz NCGMQTJVBZWYLX-LLVKDONJSA-N 0 0 295.390 3.666 20 10 CHCDRN Cc1nc(NCc2ccc(N)cc2)c(Cl)cc1Cl ZINC001162787786 1133112846 /nfs/dbraw/zinc/11/28/46/1133112846.db2.gz QTRIYTCELFRDQT-UHFFFAOYSA-N 0 0 282.174 3.891 20 10 CHCDRN Cc1ccc(O)c(CNc2nc3cccc(F)c3o2)c1 ZINC001163754937 1133172141 /nfs/dbraw/zinc/17/21/41/1133172141.db2.gz XIRCRLFPYRMOKK-UHFFFAOYSA-N 0 0 272.279 3.593 20 10 CHCDRN Oc1cccc(F)c1CNc1nc(C2CCCC2)ns1 ZINC001164185709 1133204280 /nfs/dbraw/zinc/20/42/80/1133204280.db2.gz QMNOYRITBQMCGG-UHFFFAOYSA-N 0 0 293.367 3.653 20 10 CHCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000252762319 1133230650 /nfs/dbraw/zinc/23/06/50/1133230650.db2.gz DMFUWUXQINBIRE-OLZOCXBDSA-N 0 0 263.356 3.543 20 10 CHCDRN COc1cccc(N)c1NC1CCC(C(F)(F)F)CC1 ZINC001165642055 1133247412 /nfs/dbraw/zinc/24/74/12/1133247412.db2.gz NSHCRAWZOJRTDI-UHFFFAOYSA-N 0 0 288.313 3.810 20 10 CHCDRN CC(C)(O)C=CNc1ccccc1Cc1ccc(N)cc1 ZINC001203224509 1133306468 /nfs/dbraw/zinc/30/64/68/1133306468.db2.gz IZXXCKBEMWJRFC-VAWYXSNFSA-N 0 0 282.387 3.556 20 10 CHCDRN COc1ccc(N(c2cnoc2)c2ccc(N)cc2)cc1 ZINC001203244568 1133308151 /nfs/dbraw/zinc/30/81/51/1133308151.db2.gz DUJNNAOBFDRGQC-UHFFFAOYSA-N 0 0 281.315 3.735 20 10 CHCDRN Oc1ccccc1C[N@H+](Cc1ccccc1)C1CCC1 ZINC001203561168 1133340957 /nfs/dbraw/zinc/34/09/57/1133340957.db2.gz MOGLZFHYCCLUOC-UHFFFAOYSA-N 0 0 267.372 3.947 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC2(CC2)C1 ZINC001203574421 1133341687 /nfs/dbraw/zinc/34/16/87/1133341687.db2.gz VIVTUUWSDJVUMT-UHFFFAOYSA-N 0 0 272.175 3.685 20 10 CHCDRN Cc1sccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC001204002011 1133398004 /nfs/dbraw/zinc/39/80/04/1133398004.db2.gz HXPHEHBKDHHUPO-UHFFFAOYSA-N 0 0 267.781 3.705 20 10 CHCDRN CN(C)c1ccc(CN2CCC(F)(F)C2)c2ccccc21 ZINC001204232613 1133422145 /nfs/dbraw/zinc/42/21/45/1133422145.db2.gz GFXUZYUGSQKNEU-UHFFFAOYSA-N 0 0 290.357 3.747 20 10 CHCDRN CCC1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC001204228932 1133423038 /nfs/dbraw/zinc/42/30/38/1133423038.db2.gz CKNLSJUGORDVAA-UHFFFAOYSA-N 0 0 271.763 3.807 20 10 CHCDRN Oc1ccc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001204275058 1133426650 /nfs/dbraw/zinc/42/66/50/1133426650.db2.gz MYZWFCWWSXJTCX-INIZCTEOSA-N 0 0 297.398 3.553 20 10 CHCDRN Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@H]2C)cc1Cl ZINC001204400642 1133443457 /nfs/dbraw/zinc/44/34/57/1133443457.db2.gz FWXGFDBHMWASLB-MWLCHTKSSA-N 0 0 253.773 3.584 20 10 CHCDRN CCCN(C/C=C\c1ccc(N(C)C)cc1)CC(F)F ZINC001204566319 1133462401 /nfs/dbraw/zinc/46/24/01/1133462401.db2.gz VASZBBHHLQBRQJ-WAYWQWQTSA-N 0 0 282.378 3.743 20 10 CHCDRN O=C(c1ccncc1)c1ccccc1Nc1ccccc1O ZINC001206246664 1133675461 /nfs/dbraw/zinc/67/54/61/1133675461.db2.gz AGCGCLLTUOLZDL-UHFFFAOYSA-N 0 0 290.322 3.762 20 10 CHCDRN Cc1ccc(NCc2cccc(Cl)c2O)c([N+](=O)[O-])c1 ZINC000164980648 1133814982 /nfs/dbraw/zinc/81/49/82/1133814982.db2.gz ZQEWGHIALIAMNZ-UHFFFAOYSA-N 0 0 292.722 3.874 20 10 CHCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000166371181 1133917651 /nfs/dbraw/zinc/91/76/51/1133917651.db2.gz NKBZERYUKXVGLD-INIZCTEOSA-N 0 0 271.335 3.868 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(CN2C[C@@H](F)[C@H](F)C2)cc1 ZINC001209517084 1134031832 /nfs/dbraw/zinc/03/18/32/1134031832.db2.gz XQDCOEFKVUGWSB-IAGOWNOFSA-N 0 0 290.357 3.586 20 10 CHCDRN c1nc2ccc(Nc3ccc4c(c3)OCCN4)cc2s1 ZINC001209726946 1134056289 /nfs/dbraw/zinc/05/62/89/1134056289.db2.gz FVSQAAYDQMAQJC-UHFFFAOYSA-N 0 0 283.356 3.844 20 10 CHCDRN CCOc1ccc(C)cc1Nc1ccc2c(c1)OCCN2 ZINC001209766662 1134061038 /nfs/dbraw/zinc/06/10/38/1134061038.db2.gz SFYHUEOLIVYNPE-UHFFFAOYSA-N 0 0 284.359 3.942 20 10 CHCDRN CNc1cccc(C)c1Nc1ccc2c(c1)OCCN2 ZINC001209792416 1134064592 /nfs/dbraw/zinc/06/45/92/1134064592.db2.gz OSBUZGAXDKWZRG-UHFFFAOYSA-N 0 0 269.348 3.585 20 10 CHCDRN Fc1ccc(Nc2ccc3c(c2)OCCN3)c2ccncc12 ZINC001209788323 1134065277 /nfs/dbraw/zinc/06/52/77/1134065277.db2.gz ALPXISOOLIZNTE-UHFFFAOYSA-N 0 0 295.317 3.922 20 10 CHCDRN COc1cc(Cl)ccc1N(C)c1ccc(N)cc1 ZINC001209908880 1134100021 /nfs/dbraw/zinc/10/00/21/1134100021.db2.gz RRGYJKLKNNUYGD-UHFFFAOYSA-N 0 0 262.740 3.699 20 10 CHCDRN Cc1ccc(Nc2ccnnc2)c(C(=O)c2ccccc2)c1 ZINC001209959722 1134110585 /nfs/dbraw/zinc/11/05/85/1134110585.db2.gz FBJNZWJINQPGCG-UHFFFAOYSA-N 0 0 289.338 3.760 20 10 CHCDRN CN(c1ccc(N)cc1)c1ccc(O)c(C(F)(F)F)c1 ZINC001209986835 1134116807 /nfs/dbraw/zinc/11/68/07/1134116807.db2.gz CVULAZZSJORNLA-UHFFFAOYSA-N 0 0 282.265 3.761 20 10 CHCDRN Cn1ccc(Nc2ccccc2C(=O)c2ccc(F)cc2)n1 ZINC001210351296 1134197168 /nfs/dbraw/zinc/19/71/68/1134197168.db2.gz SWXORGOVGNRNSP-UHFFFAOYSA-N 0 0 295.317 3.534 20 10 CHCDRN Nc1cncc(Nc2cccc3c2C(=O)c2ccccc2-3)c1 ZINC001210441759 1134214784 /nfs/dbraw/zinc/21/47/84/1134214784.db2.gz PEIDZKYFIRSSPS-UHFFFAOYSA-N 0 0 287.322 3.619 20 10 CHCDRN CCc1cc(OC)ccc1N(C)c1ccc(N)cc1 ZINC001210718489 1134282095 /nfs/dbraw/zinc/28/20/95/1134282095.db2.gz PHKJJMFYEYLTTK-UHFFFAOYSA-N 0 0 256.349 3.608 20 10 CHCDRN CSc1ccc(N(C)c2ccc(N)cc2)c(F)c1 ZINC001210872959 1134320658 /nfs/dbraw/zinc/32/06/58/1134320658.db2.gz FQQHMQCMOJCCHB-UHFFFAOYSA-N 0 0 262.353 3.898 20 10 CHCDRN Cc1c(CO)cccc1Nc1nc(-c2ccncc2)cs1 ZINC001211161825 1134381071 /nfs/dbraw/zinc/38/10/71/1134381071.db2.gz YSPGGBZVEOEPSN-UHFFFAOYSA-N 0 0 297.383 3.749 20 10 CHCDRN Cc1ncc(C(F)(F)F)cc1Nc1cccc(O)c1O ZINC001213831017 1134490072 /nfs/dbraw/zinc/49/00/72/1134490072.db2.gz WMTRGAPGTCSZJW-UHFFFAOYSA-N 0 0 284.237 3.564 20 10 CHCDRN Oc1cccc(-c2nc(-c3ccc4occc4c3)no2)c1O ZINC001215145942 1134601485 /nfs/dbraw/zinc/60/14/85/1134601485.db2.gz SPZUHGSMVLDZOZ-UHFFFAOYSA-N 0 0 294.266 3.561 20 10 CHCDRN CCN(CC)c1cc(F)cc(Nc2ccc(N)cc2)c1 ZINC001216183798 1134798229 /nfs/dbraw/zinc/79/82/29/1134798229.db2.gz YTQMDMRPPBHSDJ-UHFFFAOYSA-N 0 0 273.355 3.998 20 10 CHCDRN CN(c1ccc(N)cc1)c1cc(F)c(F)cc1Cl ZINC001216372273 1134872055 /nfs/dbraw/zinc/87/20/55/1134872055.db2.gz LCBYNSGSJXHEMV-UHFFFAOYSA-N 0 0 268.694 3.968 20 10 CHCDRN O=C1C=CC=CC1=NNc1ccccc1OC1CC(O)C1 ZINC001218258051 1135076376 /nfs/dbraw/zinc/07/63/76/1135076376.db2.gz PIJKBZSMEPJHLB-ISLYRVAYSA-N 0 0 284.315 3.710 20 10 CHCDRN Nc1ccc(O[C@H]2CCc3c2cc(F)cc3F)cc1 ZINC001218373688 1135096639 /nfs/dbraw/zinc/09/66/39/1135096639.db2.gz ZHAJIHXTRGXONS-HNNXBMFYSA-N 0 0 261.271 3.613 20 10 CHCDRN Cc1ccc2ccccc2c1NC(=O)Cc1ccc(N)cc1 ZINC001218810726 1135120131 /nfs/dbraw/zinc/12/01/31/1135120131.db2.gz AEDQNDREOHPIBD-UHFFFAOYSA-N 0 0 290.366 3.912 20 10 CHCDRN c1n[nH]c2cc(NCc3ccc(N4CCCC4)cc3)ccc12 ZINC000315657593 1135158495 /nfs/dbraw/zinc/15/84/95/1135158495.db2.gz OFNKIYDLRPEPRS-UHFFFAOYSA-N 0 0 292.386 3.775 20 10 CHCDRN O=C(NCc1cccc(Cl)c1O)NC1CCCCCC1 ZINC001222069040 1135189326 /nfs/dbraw/zinc/18/93/26/1135189326.db2.gz KJWKIIJIOULTQB-UHFFFAOYSA-N 0 0 296.798 3.568 20 10 CHCDRN C[C@H]1COC[C@@H]1OC1=CC(=O)C=CC1=NNc1ccccn1 ZINC001227487648 1135839820 /nfs/dbraw/zinc/83/98/20/1135839820.db2.gz XUJMMAMNJLVBHV-GYACPANFSA-N 0 0 299.330 3.616 20 10 CHCDRN CSc1cccc(NCc2cc(F)ccc2O)c1 ZINC000083459528 178481641 /nfs/dbraw/zinc/48/16/41/178481641.db2.gz CQBVUWMGWFBPKZ-UHFFFAOYSA-N 0 0 263.337 3.865 20 10 CHCDRN Cc1cc(CNC(=O)NC(C)C)c(C)n1-c1cccc(C)c1 ZINC000009228782 170367675 /nfs/dbraw/zinc/36/76/75/170367675.db2.gz NKGIKJJXQAVQEK-UHFFFAOYSA-N 0 0 299.418 3.610 20 10 CHCDRN COc1cccc(N[C@@H](C)c2ccc(C)cc2O)c1 ZINC000020092685 170991776 /nfs/dbraw/zinc/99/17/76/170991776.db2.gz POZVHKPGRRLXNX-LBPRGKRZSA-N 0 0 257.333 3.882 20 10 CHCDRN CC(C)OCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000020198165 171062144 /nfs/dbraw/zinc/06/21/44/171062144.db2.gz LXOFVVDNYMUWLC-UHFFFAOYSA-N 0 0 292.206 3.604 20 10 CHCDRN CC(C)c1cccc(O[C@@H](C)C(=O)Nc2ccc(N)cc2)c1 ZINC000022223967 171379508 /nfs/dbraw/zinc/37/95/08/171379508.db2.gz XGBLYGISOWGLMN-ZDUSSCGKSA-N 0 0 298.386 3.798 20 10 CHCDRN Cc1cc(Sc2ncc(C(C)(C)C)s2)nc(C)n1 ZINC000302567036 227866703 /nfs/dbraw/zinc/86/67/03/227866703.db2.gz WWQQCYQRIMIQHI-UHFFFAOYSA-N 0 0 279.434 3.999 20 10 CHCDRN CC1CCN(c2ccc(CNC(=O)C3CC=CC3)cc2)CC1 ZINC000151776639 261055097 /nfs/dbraw/zinc/05/50/97/261055097.db2.gz HIMPRPLCYXSAEU-UHFFFAOYSA-N 0 0 298.430 3.505 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)c1ccccc1 ZINC000183551470 261979974 /nfs/dbraw/zinc/97/99/74/261979974.db2.gz KCJSLYXSGFJTRD-HNNXBMFYSA-N 0 0 297.398 3.935 20 10 CHCDRN CCN(CC)c1ccc(CN(C)Cc2cscn2)cc1 ZINC000184740412 262027861 /nfs/dbraw/zinc/02/78/61/262027861.db2.gz KTVOMNZKOHVZNP-UHFFFAOYSA-N 0 0 289.448 3.621 20 10 CHCDRN COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000186086084 262079381 /nfs/dbraw/zinc/07/93/81/262079381.db2.gz TUUKKHKDQPXTRZ-GFCCVEGCSA-N 0 0 290.432 3.674 20 10 CHCDRN Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000186157586 262082815 /nfs/dbraw/zinc/08/28/15/262082815.db2.gz YJLOKVHBYATIMS-VHSXEESVSA-N 0 0 292.354 3.590 20 10 CHCDRN CCN(CC)c1ccc(CN[C@@H](C)c2cc(C)on2)cc1 ZINC000282689653 328243176 /nfs/dbraw/zinc/24/31/76/328243176.db2.gz NZHOBXRMYYYCJI-AWEZNQCLSA-N 0 0 287.407 3.680 20 10 CHCDRN CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000290049115 328257678 /nfs/dbraw/zinc/25/76/78/328257678.db2.gz DYGQLHZOOLZBRY-HLTSFMKQSA-N 0 0 292.206 3.773 20 10 CHCDRN CC[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1cccc(Cl)c1[O-] ZINC000527927989 330296846 /nfs/dbraw/zinc/29/68/46/330296846.db2.gz SONNSIIGUYVCJN-SWLSCSKDSA-N 0 0 297.826 3.903 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C1CCCCC1 ZINC000471228353 331504252 /nfs/dbraw/zinc/50/42/52/331504252.db2.gz OXBAOXZNELNRCS-UHFFFAOYSA-N 0 0 284.403 3.683 20 10 CHCDRN CC[C@]1(C)C[C@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000471233591 331504406 /nfs/dbraw/zinc/50/44/06/331504406.db2.gz CEWAXNJCKWQBJT-KBXCAEBGSA-N 0 0 284.403 3.539 20 10 CHCDRN CCC[C@H](C)CC(=O)NCc1c(C)c2ccccc2n1C ZINC000471233067 331504453 /nfs/dbraw/zinc/50/44/53/331504453.db2.gz BHJHXOCYMZUSNG-ZDUSSCGKSA-N 0 0 286.419 3.929 20 10 CHCDRN Cc1cncc(/C=C\C(=O)N(C)c2ccc3cc[nH]c3c2)c1 ZINC000491965742 332377539 /nfs/dbraw/zinc/37/75/39/332377539.db2.gz TXQDEAZQWFXHTQ-UTCJRWHESA-N 0 0 291.354 3.548 20 10 CHCDRN Cc1ncsc1/C=C\C(=O)N(C)c1ccc2cc[nH]c2c1 ZINC000492020641 332379517 /nfs/dbraw/zinc/37/95/17/332379517.db2.gz QVDYBUGLRFWAFJ-WAYWQWQTSA-N 0 0 297.383 3.609 20 10 CHCDRN CC[C@@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(N)cc1 ZINC000236868407 333375913 /nfs/dbraw/zinc/37/59/13/333375913.db2.gz IYRNGVQRRSIXHF-OAHLLOKOSA-N 0 0 296.414 3.639 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCC12CC2 ZINC000528824009 333460450 /nfs/dbraw/zinc/46/04/50/333460450.db2.gz JAYIPJWPYZUUMF-HNNXBMFYSA-N 0 0 287.403 3.711 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCC12CC2 ZINC000528824012 333460523 /nfs/dbraw/zinc/46/05/23/333460523.db2.gz JAYIPJWPYZUUMF-OAHLLOKOSA-N 0 0 287.403 3.711 20 10 CHCDRN C[C@H](NCc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000277180274 334811694 /nfs/dbraw/zinc/81/16/94/334811694.db2.gz SYLGXEYBDOXXML-LBPRGKRZSA-N 0 0 286.341 3.717 20 10 CHCDRN CCOc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000062747656 521370751 /nfs/dbraw/zinc/37/07/51/521370751.db2.gz WBDZKXJLZNOFNZ-LBPRGKRZSA-N 0 0 289.350 3.781 20 10 CHCDRN CCN(Cc1nc(C)cs1)Cc1ccc(N(C)C)cc1 ZINC000129325166 521449110 /nfs/dbraw/zinc/44/91/10/521449110.db2.gz VPYVXNUGIAUIDE-UHFFFAOYSA-N 0 0 289.448 3.540 20 10 CHCDRN CN(C)c1ccc(CN(C)C(=O)C2=CCCCCC2)cc1 ZINC000274734682 522164410 /nfs/dbraw/zinc/16/44/10/522164410.db2.gz HRWQSKHNYKEGPD-UHFFFAOYSA-N 0 0 286.419 3.602 20 10 CHCDRN CCc1nn(C)cc1N[C@@H](CC)c1cccc(Cl)c1O ZINC000287838029 522702831 /nfs/dbraw/zinc/70/28/31/522702831.db2.gz WACDXQBCLSOYFL-LBPRGKRZSA-N 0 0 293.798 3.905 20 10 CHCDRN CC[C@H](Nc1ccc(CNC(C)=O)cc1)c1ccccc1O ZINC000274724279 522767141 /nfs/dbraw/zinc/76/71/41/522767141.db2.gz AEIMDXXKAYXSOM-KRWDZBQOSA-N 0 0 298.386 3.592 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)CCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000287556565 522933260 /nfs/dbraw/zinc/93/32/60/522933260.db2.gz FYSKSXMMPKOCOS-PRHODGIISA-N 0 0 292.206 3.511 20 10 CHCDRN CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000079540946 523191461 /nfs/dbraw/zinc/19/14/61/523191461.db2.gz PPPQGMCBVCHTNP-HIFRSBDPSA-N 0 0 290.407 3.502 20 10 CHCDRN CC[C@@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000079540955 523217580 /nfs/dbraw/zinc/21/75/80/523217580.db2.gz PPPQGMCBVCHTNP-UKRRQHHQSA-N 0 0 290.407 3.502 20 10 CHCDRN CC[C@H](C)NC(=O)c1ccc(NCc2ccccc2O)cc1 ZINC000280646667 523999422 /nfs/dbraw/zinc/99/94/22/523999422.db2.gz JDLXPERNXBZERS-ZDUSSCGKSA-N 0 0 298.386 3.533 20 10 CHCDRN COCCOc1ccc(N[C@H](C)c2ccccc2O)cc1 ZINC000037106225 524050851 /nfs/dbraw/zinc/05/08/51/524050851.db2.gz VGDMMQXSGZOHBT-CYBMUJFWSA-N 0 0 287.359 3.591 20 10 CHCDRN Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000062744931 524605506 /nfs/dbraw/zinc/60/55/06/524605506.db2.gz PMSUUIQUVCCWPE-GFCCVEGCSA-N 0 0 259.324 3.691 20 10 CHCDRN COc1ccc(N[C@H](C)c2ccccc2O)c(C)c1 ZINC000061565827 524709625 /nfs/dbraw/zinc/70/96/25/524709625.db2.gz ZSLZMRZJKHVVRH-GFCCVEGCSA-N 0 0 257.333 3.882 20 10 CHCDRN C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000290215194 525070856 /nfs/dbraw/zinc/07/08/56/525070856.db2.gz QXYJBLPRYSKQIB-BMIGLBTASA-N 0 0 289.762 3.657 20 10 CHCDRN CSC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000292730146 525651108 /nfs/dbraw/zinc/65/11/08/525651108.db2.gz GCXHGTWHIIMBBQ-LLVKDONJSA-N 0 0 285.840 3.621 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCSC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278631678 525688292 /nfs/dbraw/zinc/68/82/92/525688292.db2.gz HAAVQWVGNYHIBF-SFYZADRCSA-N 0 0 292.231 3.855 20 10 CHCDRN CSC[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000076769241 525692890 /nfs/dbraw/zinc/69/28/90/525692890.db2.gz ZUQHHNPRUQRZGT-ZETCQYMHSA-N 0 0 280.220 3.540 20 10 CHCDRN O=C(C[C@H]1CCCc2ccccc21)NCc1ccccc1O ZINC000264466333 527171101 /nfs/dbraw/zinc/17/11/01/527171101.db2.gz HZEPUQCHSAJDEZ-OAHLLOKOSA-N 0 0 295.382 3.519 20 10 CHCDRN CCCN(Cc1ccccc1O)c1ncnc2ccccc21 ZINC000301774285 528149023 /nfs/dbraw/zinc/14/90/23/528149023.db2.gz QHCAVBSANCUDGR-UHFFFAOYSA-N 0 0 293.370 3.752 20 10 CHCDRN CC[C@H]1CCC[N@@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736940940 599767874 /nfs/dbraw/zinc/76/78/74/599767874.db2.gz VQWNJKQIQYGBPM-ZDUSSCGKSA-N 0 0 299.370 3.618 20 10 CHCDRN CCCCc1nc(CN(C)Cc2ccccc2O)cs1 ZINC000109771147 1125469055 /nfs/dbraw/zinc/46/90/55/1125469055.db2.gz ZCIINKBRROJVAA-UHFFFAOYSA-N 0 0 290.432 3.823 20 10 CHCDRN Oc1ccc(F)cc1CNc1ccccc1Br ZINC000226581052 1119203525 /nfs/dbraw/zinc/20/35/25/1119203525.db2.gz XDLZZWZDGQKNRN-UHFFFAOYSA-N 0 0 296.139 3.906 20 10 CHCDRN C[C@H]([NH2+]CCC(C)(C)C1CC1)c1cc(C(=O)[O-])ccc1O ZINC001593261223 994548765 /nfs/dbraw/zinc/54/87/65/994548765.db2.gz LBCFAHFRZSUBBA-NSHDSACASA-N 0 0 291.391 3.567 20 10 CHCDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])C1CCC(F)(F)CC1 ZINC000703562866 1121278122 /nfs/dbraw/zinc/27/81/22/1121278122.db2.gz KJPBDJJWKDWXQZ-UHFFFAOYSA-N 0 0 291.288 3.680 20 10 CHCDRN CC[C@@H](CC(F)F)CN(C)c1ccc2c(c1)OCO2 ZINC000851867490 1123385365 /nfs/dbraw/zinc/38/53/65/1123385365.db2.gz HHVFPPXUUFXISY-JTQLQIEISA-N 0 0 271.307 3.533 20 10 CHCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CC1(F)F ZINC000840967352 1124062241 /nfs/dbraw/zinc/06/22/41/1124062241.db2.gz FWAWHSUAXPMROK-HZGVNTEJSA-N 0 0 296.144 3.832 20 10 CHCDRN COc1cc(N(C)CCC(C)(C)C)cc(OC)c1OC ZINC000125688806 1124914971 /nfs/dbraw/zinc/91/49/71/1124914971.db2.gz KTRIVAWBOIHUMD-UHFFFAOYSA-N 0 0 281.396 3.585 20 10 CHCDRN C[C@@H]1CCC[N@H+](Cc2c(F)ccc(F)c2[O-])C[C@@H]1C ZINC001139685681 1131628838 /nfs/dbraw/zinc/62/88/38/1131628838.db2.gz SRRCPMKWGHHGFH-MNOVXSKESA-N 0 0 269.335 3.538 20 10 CHCDRN CCC[N@@H+](Cc1ccc(Cl)cc1[O-])CC1CC1 ZINC001140461707 1131748323 /nfs/dbraw/zinc/74/83/23/1131748323.db2.gz RKFFHTHMXXYCPD-UHFFFAOYSA-N 0 0 253.773 3.668 20 10 CHCDRN COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841748612 1132389724 /nfs/dbraw/zinc/38/97/24/1132389724.db2.gz AWSHHWHUJGMGIX-MNOVXSKESA-N 0 0 285.815 3.900 20 10 CHCDRN Oc1ccc(Cl)cc1CN1CCCC[C@@H]1C(F)(F)F ZINC001203657261 1133349269 /nfs/dbraw/zinc/34/92/69/1133349269.db2.gz IQXMDAZGUBNNOS-GFCCVEGCSA-N 0 0 293.716 3.962 20 10 CHCDRN CC(C)[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000215142644 1125563100 /nfs/dbraw/zinc/56/31/00/1125563100.db2.gz AYJOMQBPYVKITE-LSDHHAIUSA-N 0 0 275.396 3.605 20 10 CHCDRN CCC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000134900669 1125569965 /nfs/dbraw/zinc/56/99/65/1125569965.db2.gz RMKKWYPEDXNIBV-SSDOTTSWSA-N 0 0 292.604 3.869 20 10 CHCDRN CCOC1CC(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841752230 1125585000 /nfs/dbraw/zinc/58/50/00/1125585000.db2.gz NJOMQCHVMUDPNJ-DCBWTQNWSA-N 0 0 297.826 3.901 20 10 CHCDRN C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1ccc(Cl)cc1[O-] ZINC000841756640 1125593535 /nfs/dbraw/zinc/59/35/35/1125593535.db2.gz ZIPQPPXILXGHDY-KNXALSJPSA-N 0 0 297.826 3.637 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CCCSC1)c1ccc(Cl)cc1[O-] ZINC000841758081 1125597826 /nfs/dbraw/zinc/59/78/26/1125597826.db2.gz RYVCPIDMEFWMAN-WDEREUQCSA-N 0 0 285.840 3.839 20 10 CHCDRN Cc1ccccc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000030827898 1125610382 /nfs/dbraw/zinc/61/03/82/1125610382.db2.gz KFGCWXHXTZQAFX-UHFFFAOYSA-N 0 0 280.371 3.848 20 10 CHCDRN CC/C=C(/C)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000136908337 1125647322 /nfs/dbraw/zinc/64/73/22/1125647322.db2.gz XNGMTECJYVADIF-AUWJEWJLSA-N 0 0 299.370 3.870 20 10 CHCDRN Cc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)cc1F ZINC000886495221 1125680636 /nfs/dbraw/zinc/68/06/36/1125680636.db2.gz NQNBLSUKXDTDBO-LLVKDONJSA-N 0 0 277.314 3.830 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1ccncc1 ZINC000886532784 1125685509 /nfs/dbraw/zinc/68/55/09/1125685509.db2.gz OUJLUUIKPDOWKL-BXUZGUMPSA-N 0 0 274.339 3.728 20 10 CHCDRN COCCC1(C[NH2+][C@H](C)c2c([O-])cccc2F)CCCC1 ZINC000886540971 1125687625 /nfs/dbraw/zinc/68/76/25/1125687625.db2.gz NXFRZXPDQVBNCN-CYBMUJFWSA-N 0 0 295.398 3.779 20 10 CHCDRN CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)c2c([O-])cccc2F)CCO1 ZINC000886580246 1125692904 /nfs/dbraw/zinc/69/29/04/1125692904.db2.gz BFHQOHLKHGFNQP-BFHYXJOUSA-N 0 0 295.398 3.776 20 10 CHCDRN Cc1csc([C@@H](C)C[NH2+][C@H](C)c2c([O-])cccc2F)n1 ZINC000886587922 1125694114 /nfs/dbraw/zinc/69/41/14/1125694114.db2.gz IITCVSVEEOLSSR-GXSJLCMTSA-N 0 0 294.395 3.751 20 10 CHCDRN C[C@H](C1CC1)n1cc(N[C@@H](C)c2c(O)cccc2F)cn1 ZINC000886594202 1125695125 /nfs/dbraw/zinc/69/51/25/1125695125.db2.gz HRQQSXLDROIQGK-WDEREUQCSA-N 0 0 289.354 3.872 20 10 CHCDRN COCC(C)(C)CCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886608820 1125696810 /nfs/dbraw/zinc/69/68/10/1125696810.db2.gz GIHNUDUTLCDZQZ-LBPRGKRZSA-N 0 0 283.387 3.635 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1c([O-])cccc1F ZINC000886619003 1125699294 /nfs/dbraw/zinc/69/92/94/1125699294.db2.gz QGUFZULEAZETFH-QWHCGFSZSA-N 0 0 293.382 3.531 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1c([O-])cccc1F ZINC000886619004 1125699431 /nfs/dbraw/zinc/69/94/31/1125699431.db2.gz QGUFZULEAZETFH-STQMWFEESA-N 0 0 293.382 3.531 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1c([O-])cccc1F ZINC000886634537 1125701179 /nfs/dbraw/zinc/70/11/79/1125701179.db2.gz GRSMLNJPAWNUGN-OLZOCXBDSA-N 0 0 293.382 3.674 20 10 CHCDRN C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCCO1)c1c([O-])cccc1F ZINC000886646590 1125702674 /nfs/dbraw/zinc/70/26/74/1125702674.db2.gz NHUOMJUOWFNWKR-CXMBCZLWSA-N 0 0 293.382 3.530 20 10 CHCDRN COc1cccc(CNc2ccc(C)c3ncccc23)c1O ZINC000237426876 1125709100 /nfs/dbraw/zinc/70/91/00/1125709100.db2.gz JWKLRDWMYWHTAX-UHFFFAOYSA-N 0 0 294.354 3.870 20 10 CHCDRN C[C@H](CC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000237467870 1125753036 /nfs/dbraw/zinc/75/30/36/1125753036.db2.gz XUTSSDJZYQUBNV-GFCCVEGCSA-N 0 0 260.381 3.814 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000179022271 1126822242 /nfs/dbraw/zinc/82/22/42/1126822242.db2.gz IZZALXSXGDGVLP-CYBMUJFWSA-N 0 0 275.392 3.567 20 10 CHCDRN Nc1ccc(Cc2noc([C@@H]3CCC=CCCC3)n2)cc1 ZINC000904077005 1126827061 /nfs/dbraw/zinc/82/70/61/1126827061.db2.gz MOVWMHCDUPZITJ-CQSZACIVSA-N 0 0 283.375 3.847 20 10 CHCDRN Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000179598606 1126830954 /nfs/dbraw/zinc/83/09/54/1126830954.db2.gz BBESVIBKGKNBAF-HNNXBMFYSA-N 0 0 290.794 3.721 20 10 CHCDRN C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000180179009 1126840335 /nfs/dbraw/zinc/84/03/35/1126840335.db2.gz XZBWMMXRWDFONP-NSHDSACASA-N 0 0 291.778 3.944 20 10 CHCDRN Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(C)c(O)c2O)cc1 ZINC000181871046 1126862766 /nfs/dbraw/zinc/86/27/66/1126862766.db2.gz IXAAOXNIGDUBLW-CYBMUJFWSA-N 0 0 299.370 3.548 20 10 CHCDRN CC[C@@](C)([NH2+]Cc1cccc(Cl)c1[O-])c1nccs1 ZINC000182372070 1126871078 /nfs/dbraw/zinc/87/10/78/1126871078.db2.gz CXZZOZQBOXREEH-CQSZACIVSA-N 0 0 296.823 3.917 20 10 CHCDRN Cn1ccc2ccc(-c3cnn([C@H]4CCCCO4)c3)cc21 ZINC000906178149 1126934475 /nfs/dbraw/zinc/93/44/75/1126934475.db2.gz DKUFLNSQHMNCEQ-QGZVFWFLSA-N 0 0 281.359 3.741 20 10 CHCDRN Cc1ccccc1C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191185537 1126948741 /nfs/dbraw/zinc/94/87/41/1126948741.db2.gz GOOBFMNXIPPERY-LLVKDONJSA-N 0 0 277.314 3.830 20 10 CHCDRN Cc1c(NCc2cccc(C)c2O)cnn1C1CCCC1 ZINC000195033262 1126977710 /nfs/dbraw/zinc/97/77/10/1126977710.db2.gz NRFLICQKOTUDCN-UHFFFAOYSA-N 0 0 285.391 3.933 20 10 CHCDRN Cc1ncsc1CCOc1ccc(N2CCCC2)cc1 ZINC000267425036 1126999798 /nfs/dbraw/zinc/99/97/98/1126999798.db2.gz MXTFOBNDDIVGBO-UHFFFAOYSA-N 0 0 288.416 3.673 20 10 CHCDRN CC[C@H]([NH2+]CC1CCCC1)c1ccc(F)cc1[O-] ZINC000796704748 1130925388 /nfs/dbraw/zinc/92/53/88/1130925388.db2.gz QSWBAICXNIBADU-AWEZNQCLSA-N 0 0 251.345 3.762 20 10 CHCDRN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(N)cc1 ZINC000269147328 1127035500 /nfs/dbraw/zinc/03/55/00/1127035500.db2.gz ZROVPZYEDILYPZ-KCXAZCMYSA-N 0 0 290.407 3.581 20 10 CHCDRN CC[C@@H]([NH2+][C@@H]1CC12CCCC2)c1ccc(F)cc1[O-] ZINC000796961845 1130949556 /nfs/dbraw/zinc/94/95/56/1130949556.db2.gz NYFYQDHVMTVPAK-UKRRQHHQSA-N 0 0 263.356 3.905 20 10 CHCDRN Cc1ccc([C@@H](C)N(C)C(=O)Cc2ccc(N)cc2)c(C)c1 ZINC000269248039 1127036359 /nfs/dbraw/zinc/03/63/59/1127036359.db2.gz RYIVWWWPMFCFQH-OAHLLOKOSA-N 0 0 296.414 3.648 20 10 CHCDRN CCOc1ccc(N(C)Cc2csc(CC)n2)cc1 ZINC000150731151 1127099998 /nfs/dbraw/zinc/09/99/98/1127099998.db2.gz WRSGTFQKVNITKM-UHFFFAOYSA-N 0 0 276.405 3.741 20 10 CHCDRN C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237123981 1131054120 /nfs/dbraw/zinc/05/41/20/1131054120.db2.gz 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CCCC[C@@H](CCC)NC(=O)N(C)Cc1ccccc1O ZINC000175982405 1118735671 /nfs/dbraw/zinc/73/56/71/1118735671.db2.gz ZJMGVKSVMSWZTM-OAHLLOKOSA-N 0 0 292.423 3.893 20 10 CHCDRN CCc1occc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000430829216 1118775206 /nfs/dbraw/zinc/77/52/06/1118775206.db2.gz FGFXNMGGBSFRPM-UHFFFAOYSA-N 0 0 296.370 3.572 20 10 CHCDRN CCC[C@H]1CCCC[C@@H]1NC(=O)NCc1ccccc1O ZINC000728397722 1118809927 /nfs/dbraw/zinc/80/99/27/1118809927.db2.gz UULBAYTXAKBOLS-ZFWWWQNUSA-N 0 0 290.407 3.550 20 10 CHCDRN C[C@H](NC(=O)Nc1ccc(C2CC2)cn1)c1ccccc1O ZINC000933956439 1118865477 /nfs/dbraw/zinc/86/54/77/1118865477.db2.gz NYRRZQPNTIABGS-NSHDSACASA-N 0 0 297.358 3.547 20 10 CHCDRN CC/C=C\CCN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000588477226 1118902688 /nfs/dbraw/zinc/90/26/88/1118902688.db2.gz RVPBNGCBEXGQAH-FPLPWBNLSA-N 0 0 279.380 3.505 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC1(C)C ZINC000801551503 1128814058 /nfs/dbraw/zinc/81/40/58/1128814058.db2.gz MIUGCCPDTAGEPP-CQSZACIVSA-N 0 0 275.392 3.567 20 10 CHCDRN COc1ccc(O)c([C@H](C)Nc2ccc(F)cc2OC)c1 ZINC000049563908 1119105093 /nfs/dbraw/zinc/10/50/93/1119105093.db2.gz LNOMQINJIIHCJD-JTQLQIEISA-N 0 0 291.322 3.722 20 10 CHCDRN C[C@@H]1CCC[N@H+](Cc2c([O-])cc(F)cc2F)C[C@@H]1C ZINC001140582930 1119148162 /nfs/dbraw/zinc/14/81/62/1119148162.db2.gz PWMMAOURNXFHKK-MNOVXSKESA-N 0 0 269.335 3.538 20 10 CHCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1cscn1 ZINC000065597242 1119204007 /nfs/dbraw/zinc/20/40/07/1119204007.db2.gz WFWVNRMJWBVSGT-UHFFFAOYSA-N 0 0 296.342 3.697 20 10 CHCDRN COc1cccc(CNc2nc3ccccc3cc2C)c1O ZINC000091479189 1119237066 /nfs/dbraw/zinc/23/70/66/1119237066.db2.gz CYUMUEGTSZYVTE-UHFFFAOYSA-N 0 0 294.354 3.870 20 10 CHCDRN CC(C)Oc1cc(F)ccc1N(C)c1ccc(N)cc1 ZINC001212295949 1128833816 /nfs/dbraw/zinc/83/38/16/1128833816.db2.gz GECAIJZJBVOVRB-UHFFFAOYSA-N 0 0 274.339 3.963 20 10 CHCDRN C/C=C(/CC)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000588566504 1119275799 /nfs/dbraw/zinc/27/57/99/1119275799.db2.gz GEFISRNEMXZREI-WCSRMQSCSA-N 0 0 274.408 3.505 20 10 CHCDRN C[C@H](NC(=O)CCCc1ccccc1)c1ccccc1O ZINC000827982297 1119428021 /nfs/dbraw/zinc/42/80/21/1119428021.db2.gz ROVUIFRHPSEPEZ-AWEZNQCLSA-N 0 0 283.371 3.592 20 10 CHCDRN CCN(CC)c1ccc(/C=C\c2ccncn2)cc1F ZINC000255634719 1119666108 /nfs/dbraw/zinc/66/61/08/1119666108.db2.gz QORFNRFRZLOVTB-ALCCZGGFSA-N 0 0 271.339 3.632 20 10 CHCDRN CCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S ZINC000001188424 1119682955 /nfs/dbraw/zinc/68/29/55/1119682955.db2.gz YPDFZFLJWFYJOX-QXGKOBNPSA-N 0 0 289.425 3.854 20 10 CHCDRN Cc1cccc(CCC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000827982010 1119740875 /nfs/dbraw/zinc/74/08/75/1119740875.db2.gz KUGRVOZOUMECKO-AWEZNQCLSA-N 0 0 283.371 3.511 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)C/C=C\c1ccc(F)cc1 ZINC000255771165 1119744051 /nfs/dbraw/zinc/74/40/51/1119744051.db2.gz MIQRKYKAJNITCT-PLNGDYQASA-N 0 0 299.345 3.593 20 10 CHCDRN Cn1cc(CCSc2ncc(C(C)(C)C)s2)cn1 ZINC000177123452 1119762019 /nfs/dbraw/zinc/76/20/19/1119762019.db2.gz PINWJDLMURRMRT-UHFFFAOYSA-N 0 0 281.450 3.509 20 10 CHCDRN C[C@H]1CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000309224304 1119812472 /nfs/dbraw/zinc/81/24/72/1119812472.db2.gz RKPZDHNMELYTBB-WRWORJQWSA-N 0 0 260.164 3.587 20 10 CHCDRN COc1ccc(CNc2ccc3c(c2)CCC3)c(O)c1OC ZINC000892636999 1119999366 /nfs/dbraw/zinc/99/93/66/1119999366.db2.gz KMZSLMXATOENIF-UHFFFAOYSA-N 0 0 299.370 3.510 20 10 CHCDRN COc1ccc(O)c([C@H](C)Nc2cnn(C(C)(C)C)c2)c1 ZINC000186357303 1120033581 /nfs/dbraw/zinc/03/35/81/1120033581.db2.gz KSXSSURAFZBOAB-NSHDSACASA-N 0 0 289.379 3.525 20 10 CHCDRN CCSCC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000168807595 1120096860 /nfs/dbraw/zinc/09/68/60/1120096860.db2.gz ISRPPBGPGPUQNW-WDEREUQCSA-N 0 0 271.401 3.714 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CC2CCC1CC2)c1ccc(F)cc1[O-] ZINC000311847010 1120113199 /nfs/dbraw/zinc/11/31/99/1120113199.db2.gz ILKOZAQZFKUGPM-ZIULKBFBSA-N 0 0 263.356 3.761 20 10 CHCDRN Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)c1 ZINC000069772150 1128904891 /nfs/dbraw/zinc/90/48/91/1128904891.db2.gz ALZILRYIXPRWFJ-UHFFFAOYSA-N 0 0 296.414 3.642 20 10 CHCDRN C[C@H]1CC[C@H](C[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000230409382 1120295725 /nfs/dbraw/zinc/29/57/25/1120295725.db2.gz BOQCJKHJGXNUQV-QWRGUYRKSA-N 0 0 253.773 3.571 20 10 CHCDRN CCOc1ccc(C#N)cc1NCc1ccc(N(C)C)cc1 ZINC000181416276 1120295958 /nfs/dbraw/zinc/29/59/58/1120295958.db2.gz UJYZWNWAJAMGPO-UHFFFAOYSA-N 0 0 295.386 3.635 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(NC(C)(C)CCO)cc1 ZINC001167739059 1120378521 /nfs/dbraw/zinc/37/85/21/1120378521.db2.gz BSXKURBUZZCONL-UHFFFAOYSA-N 0 0 272.392 3.667 20 10 CHCDRN CCOc1ccc(N(CC)CC2CCC(=O)CC2)cc1 ZINC000828194881 1120451116 /nfs/dbraw/zinc/45/11/16/1120451116.db2.gz VSVGXNKFEQCADL-UHFFFAOYSA-N 0 0 275.392 3.671 20 10 CHCDRN CC1(C)Oc2ccc(N[C@H]3CCc4cccc(O)c43)cc2O1 ZINC000319204073 1120504269 /nfs/dbraw/zinc/50/42/69/1120504269.db2.gz FEGBNOOIABTKPR-ZDUSSCGKSA-N 0 0 297.354 3.999 20 10 CHCDRN CCc1ccc(NCc2cc(OC)ccc2O)cc1 ZINC000020091550 1120582925 /nfs/dbraw/zinc/58/29/25/1120582925.db2.gz QBRRONXMZUEGBW-UHFFFAOYSA-N 0 0 257.333 3.575 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000922843069 1120609760 /nfs/dbraw/zinc/60/97/60/1120609760.db2.gz OXYDOVWFFMHXDX-GFCCVEGCSA-N 0 0 299.386 3.578 20 10 CHCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000228003364 1120663049 /nfs/dbraw/zinc/66/30/49/1120663049.db2.gz RVJDREZTZXEXRJ-SWLSCSKDSA-N 0 0 263.356 3.686 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccc(F)cc1[O-] ZINC000796722053 1120674543 /nfs/dbraw/zinc/67/45/43/1120674543.db2.gz YQOVJYFESUCGMM-QMTHXVAHSA-N 0 0 251.345 3.618 20 10 CHCDRN CCN(CC)c1ccc(/C=C2/C(=O)Oc3ccccc32)cc1 ZINC000147025006 1120735446 /nfs/dbraw/zinc/73/54/46/1120735446.db2.gz VDDDFPYRELNRHO-GHRIWEEISA-N 0 0 293.366 3.992 20 10 CHCDRN CC(C)Oc1ccc(N(C)CCCc2ccncc2)cc1 ZINC000759928798 1120867572 /nfs/dbraw/zinc/86/75/72/1120867572.db2.gz RTMGRSWINMXTBQ-UHFFFAOYSA-N 0 0 284.403 3.938 20 10 CHCDRN Cc1ccccc1CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000094183084 1120980118 /nfs/dbraw/zinc/98/01/18/1120980118.db2.gz ZEHSJEIVRAUNAU-CYBMUJFWSA-N 0 0 273.351 3.733 20 10 CHCDRN CC(C)OC(=O)c1cccc(N(C)c2ccc(N)cc2)c1 ZINC001174918014 1121093773 /nfs/dbraw/zinc/09/37/73/1121093773.db2.gz QHYSQJPWICPOHT-UHFFFAOYSA-N 0 0 284.359 3.602 20 10 CHCDRN Cc1cc2c(cc1C)N(C(=O)/C=C/c1cccnc1C)CC2 ZINC001128783740 1121169152 /nfs/dbraw/zinc/16/91/52/1121169152.db2.gz WRHGUPBIMJFVSQ-VOTSOKGWSA-N 0 0 292.382 3.609 20 10 CHCDRN COc1ccc(N(Cc2nnc(C)s2)CC(C)C)cc1 ZINC000773451325 1121172960 /nfs/dbraw/zinc/17/29/60/1121172960.db2.gz KRSYQMURCIPASH-UHFFFAOYSA-N 0 0 291.420 3.518 20 10 CHCDRN Oc1cccc(Nc2ccc(F)c(C(F)(F)F)c2)c1O ZINC001175078092 1121174485 /nfs/dbraw/zinc/17/44/85/1121174485.db2.gz QHRQICHGBLRXMG-UHFFFAOYSA-N 0 0 287.212 3.999 20 10 CHCDRN COc1ccc2c(c1)CN(Cc1cc(Cl)ccc1O)C2 ZINC000692922022 1121203518 /nfs/dbraw/zinc/20/35/18/1121203518.db2.gz XAROBVKYVYUUOL-UHFFFAOYSA-N 0 0 289.762 3.570 20 10 CHCDRN CCOc1cccc(F)c1N(C)c1ccc(N)cc1 ZINC001175227480 1121233592 /nfs/dbraw/zinc/23/35/92/1121233592.db2.gz VBJQMDMBROJRDS-UHFFFAOYSA-N 0 0 260.312 3.575 20 10 CHCDRN Cc1cccc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000703258286 1121242354 /nfs/dbraw/zinc/24/23/54/1121242354.db2.gz RRDGDGNLSNWDNA-LLVKDONJSA-N 0 0 277.314 3.830 20 10 CHCDRN CCC(F)(F)C(C)(C)C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703293787 1121244887 /nfs/dbraw/zinc/24/48/87/1121244887.db2.gz DYBSXWMPRVWASQ-UHFFFAOYSA-N 0 0 293.304 3.832 20 10 CHCDRN CC(C)OC(=O)c1ccc(N(C)c2ccc(N)cc2)cc1 ZINC001175258617 1121264506 /nfs/dbraw/zinc/26/45/06/1121264506.db2.gz HHQUAMKXAOJCHR-UHFFFAOYSA-N 0 0 284.359 3.602 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000124513722 1121302430 /nfs/dbraw/zinc/30/24/30/1121302430.db2.gz KNWOWXNPUULPSH-JTQLQIEISA-N 0 0 293.716 3.820 20 10 CHCDRN Oc1ccc(F)c(Cl)c1CN1CCCC[C@@H](F)C1 ZINC001237122776 1128978746 /nfs/dbraw/zinc/97/87/46/1128978746.db2.gz YRQHOQXOZBEAJP-SECBINFHSA-N 0 0 275.726 3.509 20 10 CHCDRN Nc1ccc(NC(=O)C[C@H]2CCCc3ccccc32)cc1 ZINC000237981651 1121394506 /nfs/dbraw/zinc/39/45/06/1121394506.db2.gz ONHNEOWRKHZJJW-CQSZACIVSA-N 0 0 280.371 3.718 20 10 CHCDRN Nc1ccc(NC(=O)c2cccc(OC3CCCC3)c2)cc1 ZINC000238032881 1121396499 /nfs/dbraw/zinc/39/64/99/1121396499.db2.gz ZHOJHGBAGJOOIM-UHFFFAOYSA-N 0 0 296.370 3.843 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2cnn3ccccc23)cc1 ZINC000763544310 1128983005 /nfs/dbraw/zinc/98/30/05/1128983005.db2.gz KZPDGGFCLUAFCA-UHFFFAOYSA-N 0 0 295.386 3.758 20 10 CHCDRN Oc1cccc(Br)c1C[NH2+]C1CCCCC1 ZINC000706863467 1121442495 /nfs/dbraw/zinc/44/24/95/1121442495.db2.gz IHBKMSNTSIHPED-UHFFFAOYSA-N 0 0 284.197 3.577 20 10 CHCDRN Cc1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000708421122 1121463996 /nfs/dbraw/zinc/46/39/96/1121463996.db2.gz PMCIEJGJLMFSTR-LLVKDONJSA-N 0 0 277.314 3.830 20 10 CHCDRN C[C@@H]1CCC[C@@H](CCNC(=O)Nc2ccc(N)cc2)C1 ZINC000070549724 1128986619 /nfs/dbraw/zinc/98/66/19/1128986619.db2.gz XTOFJHQTMNSOLX-OLZOCXBDSA-N 0 0 275.396 3.607 20 10 CHCDRN CCCn1cc(N[C@H](CC)c2ccc(N(C)C)cc2)cn1 ZINC000182588786 1128986969 /nfs/dbraw/zinc/98/69/69/1128986969.db2.gz LTYUUFCFTUTFKT-QGZVFWFLSA-N 0 0 286.423 3.922 20 10 CHCDRN Oc1cccc(Nc2ccc(-c3ccccn3)cc2)c1O ZINC001176039240 1121529687 /nfs/dbraw/zinc/52/96/87/1121529687.db2.gz LKJGQUSOHUVDOJ-UHFFFAOYSA-N 0 0 278.311 3.903 20 10 CHCDRN Nc1ccc(N(CCO)c2cc(Cl)cc(Cl)c2)cc1 ZINC001176570997 1121657633 /nfs/dbraw/zinc/65/76/33/1121657633.db2.gz RSVADDRFTCEPRR-UHFFFAOYSA-N 0 0 297.185 3.706 20 10 CHCDRN CN(c1ccc(N)cc1)c1ccc(OC(F)(F)F)cc1 ZINC001176644375 1121667432 /nfs/dbraw/zinc/66/74/32/1121667432.db2.gz VZQJPYGWTCZHBF-UHFFFAOYSA-N 0 0 282.265 3.935 20 10 CHCDRN Nc1ccc(N(CCO)c2ccc(Cl)cc2Cl)cc1 ZINC001176652929 1121677760 /nfs/dbraw/zinc/67/77/60/1121677760.db2.gz HEGOZZMIFFWOPI-UHFFFAOYSA-N 0 0 297.185 3.706 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1cccc(F)c1 ZINC001177153826 1121716638 /nfs/dbraw/zinc/71/66/38/1121716638.db2.gz ZQDQWKAHPNXLPU-UHFFFAOYSA-N 0 0 283.705 3.614 20 10 CHCDRN C[C@H]1CCN(C(=O)/C=C/c2cncc(F)c2)c2ccccc21 ZINC000729323101 1121777286 /nfs/dbraw/zinc/77/72/86/1121777286.db2.gz MSKGKLRNMVAFCG-YBJDMEARSA-N 0 0 296.345 3.774 20 10 CHCDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1cccc(C)c1C ZINC000729341276 1121777804 /nfs/dbraw/zinc/77/78/04/1121777804.db2.gz POBUBZJDZRUEDA-CMDGGOBGSA-N 0 0 298.361 3.904 20 10 CHCDRN CC1(C)C(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1(C)C ZINC001178545982 1121794947 /nfs/dbraw/zinc/79/49/47/1121794947.db2.gz GNPORVFWNOXYMP-UHFFFAOYSA-N 0 0 285.790 3.957 20 10 CHCDRN CC(C)[C@H]1CN(C(=O)/C=C/c2cccnc2)c2ccccc21 ZINC000773778991 1121825625 /nfs/dbraw/zinc/82/56/25/1121825625.db2.gz ZUADNSJVZBLQAU-OAGJVSPASA-N 0 0 292.382 3.881 20 10 CHCDRN Cc1ccc(F)c2c1N(C(=O)/C=C\c1cccnc1)CCC2 ZINC000731329635 1121862024 /nfs/dbraw/zinc/86/20/24/1121862024.db2.gz DBNNVIMQKKPWOU-CLFYSBASSA-N 0 0 296.345 3.522 20 10 CHCDRN CC1(C)C[C@@]1(C)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001179468895 1121880745 /nfs/dbraw/zinc/88/07/45/1121880745.db2.gz SHDWWEOFNFLSKN-AWEZNQCLSA-N 0 0 271.763 3.711 20 10 CHCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccccc1Cl ZINC000731861899 1121887311 /nfs/dbraw/zinc/88/73/11/1121887311.db2.gz RYDPIPLWPGTXQS-MRVPVSSYSA-N 0 0 281.764 3.598 20 10 CHCDRN CC(C)c1ccc(CN(C)C(=O)C2=CC(=O)CS2)cc1 ZINC000732258736 1121913727 /nfs/dbraw/zinc/91/37/27/1121913727.db2.gz ROMWVBPGQBPNCC-UHFFFAOYSA-N 0 0 289.400 3.849 20 10 CHCDRN CCc1cc(NCc2ccc(N3CCCCC3)cc2)ncn1 ZINC000733188817 1121967351 /nfs/dbraw/zinc/96/73/51/1121967351.db2.gz NERUIHAMPUXISV-UHFFFAOYSA-N 0 0 296.418 3.641 20 10 CHCDRN COc1ccc2c(c1)CCN2Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001180297513 1121977136 /nfs/dbraw/zinc/97/71/36/1121977136.db2.gz ZZCZEDGBVNFMDC-CYBMUJFWSA-N 0 0 295.382 3.581 20 10 CHCDRN COc1ccc(N(C)C[C@@](C)(OC)C2CC2)cc1Cl ZINC001180757895 1122012253 /nfs/dbraw/zinc/01/22/53/1122012253.db2.gz CBYGQIONPMFXML-OAHLLOKOSA-N 0 0 283.799 3.600 20 10 CHCDRN C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774355515 1122160424 /nfs/dbraw/zinc/16/04/24/1122160424.db2.gz TYZWQLPWYBDPQQ-HRDYMLBCSA-N 0 0 292.206 3.509 20 10 CHCDRN CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000271786855 1122175390 /nfs/dbraw/zinc/17/53/90/1122175390.db2.gz FWMQCCHQOIMKPX-TZMCWYRMSA-N 0 0 297.826 3.729 20 10 CHCDRN CCc1nn(C)cc1N[C@@H](C)c1cc(Cl)ccc1O ZINC000273353055 1122228849 /nfs/dbraw/zinc/22/88/49/1122228849.db2.gz CDYNCZGQZPMOBQ-VIFPVBQESA-N 0 0 279.771 3.515 20 10 CHCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000273422113 1122233026 /nfs/dbraw/zinc/23/30/26/1122233026.db2.gz SLMNPGIQBHLQER-CHWSQXEVSA-N 0 0 299.370 3.591 20 10 CHCDRN C[C@@H]([NH2+]C1(c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273486876 1122234965 /nfs/dbraw/zinc/23/49/65/1122234965.db2.gz NKHFLXAQCOJREM-GFCCVEGCSA-N 0 0 298.342 3.640 20 10 CHCDRN Cc1cc(C(=O)N(C)C2CCCC2)c(C)n1-c1ccccn1 ZINC000192847799 1129041384 /nfs/dbraw/zinc/04/13/84/1129041384.db2.gz MMSOVMOAKHSZLZ-UHFFFAOYSA-N 0 0 297.402 3.504 20 10 CHCDRN CCCCn1ncc(NCc2c(O)cccc2Cl)c1C ZINC000774822866 1122319063 /nfs/dbraw/zinc/31/90/63/1122319063.db2.gz GKULAWAWFZOGRX-UHFFFAOYSA-N 0 0 293.798 3.963 20 10 CHCDRN Cc1c(NCc2ccc(N(C)C)cc2)cnn1CC(C)C ZINC000774824150 1122319279 /nfs/dbraw/zinc/31/92/79/1122319279.db2.gz UGOBPJYECLBQOC-UHFFFAOYSA-N 0 0 286.423 3.526 20 10 CHCDRN Cc1ncnc(Sc2ncc(C(C)(C)C)s2)c1C ZINC001185726197 1122357073 /nfs/dbraw/zinc/35/70/73/1122357073.db2.gz ILLIARZPZQBDSS-UHFFFAOYSA-N 0 0 279.434 3.999 20 10 CHCDRN Clc1cnc(Sc2ccc3c(c2)CCO3)s1 ZINC001186661746 1122402719 /nfs/dbraw/zinc/40/27/19/1122402719.db2.gz KLHFWZPEUJNGSH-UHFFFAOYSA-N 0 0 269.778 3.883 20 10 CHCDRN C[C@@H](NC(=O)Nc1cc(F)cc(F)c1)c1ccccc1O ZINC001187589773 1122431935 /nfs/dbraw/zinc/43/19/35/1122431935.db2.gz OOAWGAZLWYRANM-SECBINFHSA-N 0 0 292.285 3.553 20 10 CHCDRN O=[N+]([O-])c1ccsc1NCc1cccc(Cl)c1O ZINC001187862356 1122445244 /nfs/dbraw/zinc/44/52/44/1122445244.db2.gz UDSBDCKSXQNFHR-UHFFFAOYSA-N 0 0 284.724 3.627 20 10 CHCDRN CCCCc1cc(NCc2cccc(Cl)c2O)ncn1 ZINC001187862271 1122445509 /nfs/dbraw/zinc/44/55/09/1122445509.db2.gz RHWRZHWSSVHXET-UHFFFAOYSA-N 0 0 291.782 3.790 20 10 CHCDRN Cc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)cc1F ZINC001187999614 1122450382 /nfs/dbraw/zinc/45/03/82/1122450382.db2.gz GARCNRCIGPUDEF-NSHDSACASA-N 0 0 288.322 3.722 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SCc1ccnc(F)c1 ZINC001188400529 1122464466 /nfs/dbraw/zinc/46/44/66/1122464466.db2.gz LPVSXRWLEXXWFX-UHFFFAOYSA-N 0 0 299.374 3.914 20 10 CHCDRN Cc1ccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775410749 1122555240 /nfs/dbraw/zinc/55/52/40/1122555240.db2.gz WKAJALQSGMXMPY-AWEZNQCLSA-N 0 0 297.402 3.944 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(C)nc2Cl)cc1F ZINC000838869754 1122565072 /nfs/dbraw/zinc/56/50/72/1122565072.db2.gz WFXRLLGCEOIMCB-UHFFFAOYSA-N 0 0 294.757 3.828 20 10 CHCDRN CC[C@H](N[C@H](C)C(F)(F)F)c1ccc(F)cc1O ZINC000287201018 1122569190 /nfs/dbraw/zinc/56/91/90/1122569190.db2.gz DSVVATJGYLSLAZ-XCBNKYQSSA-N 0 0 265.250 3.523 20 10 CHCDRN Cc1coc2ccc(NC(=O)c3ccc(C)c(O)c3O)cc12 ZINC000775447403 1122588972 /nfs/dbraw/zinc/58/89/72/1122588972.db2.gz RMYUTLTZVAHMRM-UHFFFAOYSA-N 0 0 297.310 3.713 20 10 CHCDRN CC[C@H](Nc1c(C)nn(C)c1C)c1cc(Cl)ccc1O ZINC000775542573 1122655837 /nfs/dbraw/zinc/65/58/37/1122655837.db2.gz QULJQZXOJQYARQ-ZDUSSCGKSA-N 0 0 293.798 3.959 20 10 CHCDRN CCc1cccc(CN2CCOc3cc(N(C)C)ccc32)c1 ZINC001192938759 1122666136 /nfs/dbraw/zinc/66/61/36/1122666136.db2.gz IOARIFXXDISCRD-UHFFFAOYSA-N 0 0 296.414 3.714 20 10 CHCDRN CC(C)CCC[C@H](C)NC(=O)c1ccc(O)c(O)c1Cl ZINC001193236772 1122681935 /nfs/dbraw/zinc/68/19/35/1122681935.db2.gz QKTTYMZAYMFRAQ-JTQLQIEISA-N 0 0 299.798 3.696 20 10 CHCDRN O=C(NCc1cc2ccccc2cc1O)Oc1ccccc1 ZINC001194272631 1122759774 /nfs/dbraw/zinc/75/97/74/1122759774.db2.gz YMPIDHIHHWIPEY-UHFFFAOYSA-N 0 0 293.322 3.834 20 10 CHCDRN COCc1ccc(N[C@H](C)c2ccc(F)cc2O)cc1 ZINC000193422574 1129076586 /nfs/dbraw/zinc/07/65/86/1129076586.db2.gz HILXDKHCJQXDKT-LLVKDONJSA-N 0 0 275.323 3.851 20 10 CHCDRN CC[C@H](C)COC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001194796507 1122799858 /nfs/dbraw/zinc/79/98/58/1122799858.db2.gz PSZOYICYFCGQEF-AWEZNQCLSA-N 0 0 292.423 3.757 20 10 CHCDRN CNC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC000048689110 1122839307 /nfs/dbraw/zinc/83/93/07/1122839307.db2.gz WRGJAWOPMXRXFB-UHFFFAOYSA-N 0 0 270.376 3.577 20 10 CHCDRN Cc1cc(N[C@@H](C)c2ccccc2O)ccc1N(C)C ZINC000183682296 1129081798 /nfs/dbraw/zinc/08/17/98/1129081798.db2.gz KFECQUMYGLSOLF-ZDUSSCGKSA-N 0 0 270.376 3.940 20 10 CHCDRN CC/C=C/CCN1CCCc2cc(OC)cc(OC)c21 ZINC001195178409 1122853437 /nfs/dbraw/zinc/85/34/37/1122853437.db2.gz KKUIIOQZTNEKEO-AATRIKPKSA-N 0 0 275.392 3.813 20 10 CHCDRN COc1ccc(O)c(C[N@@H+]2CCc3sccc3[C@@H]2C)c1 ZINC000775647673 1122861190 /nfs/dbraw/zinc/86/11/90/1122861190.db2.gz XWTQYEGNPKIIPW-NSHDSACASA-N 0 0 289.400 3.582 20 10 CHCDRN CCC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000775652747 1122868993 /nfs/dbraw/zinc/86/89/93/1122868993.db2.gz QSBURGXZVCXJEJ-UHFFFAOYSA-N 0 0 257.736 3.559 20 10 CHCDRN C[C@H](NC(=S)Nc1ccccc1F)c1ccccc1O ZINC001195792396 1122889211 /nfs/dbraw/zinc/88/92/11/1122889211.db2.gz KVVPRQYMQUNVGJ-JTQLQIEISA-N 0 0 290.363 3.579 20 10 CHCDRN CC[N@H+](Cc1ccoc1)Cc1cccc(Cl)c1[O-] ZINC000775675300 1122894988 /nfs/dbraw/zinc/89/49/88/1122894988.db2.gz WPFVSZHZNYENTL-UHFFFAOYSA-N 0 0 265.740 3.661 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000775677157 1122901209 /nfs/dbraw/zinc/90/12/09/1122901209.db2.gz ICYWFLCSFIDTGK-ZDUSSCGKSA-N 0 0 269.747 3.559 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCc2ccc(F)cc2C1 ZINC000775702098 1122914301 /nfs/dbraw/zinc/91/43/01/1122914301.db2.gz QBOWIIYBYCEESQ-UHFFFAOYSA-N 0 0 291.753 3.743 20 10 CHCDRN CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(Cl)c2[O-])C1(C)C ZINC000775716633 1122921079 /nfs/dbraw/zinc/92/10/79/1122921079.db2.gz YPVJXDSHOKZLFD-ZIAGYGMSSA-N 0 0 297.826 3.681 20 10 CHCDRN C[C@H]([N@H+](C)Cc1cc(Cl)cc(F)c1[O-])C1(C)CC1 ZINC000775735860 1122930186 /nfs/dbraw/zinc/93/01/86/1122930186.db2.gz DECPFFMIBPKUDB-VIFPVBQESA-N 0 0 271.763 3.805 20 10 CHCDRN CC(C)[C@H]1CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000775764927 1122950518 /nfs/dbraw/zinc/95/05/18/1122950518.db2.gz LWEHWZGBTAEOJY-GFCCVEGCSA-N 0 0 274.191 3.929 20 10 CHCDRN CCN(CCCCCn1cccn1)c1ccc(OC)cc1 ZINC000729473808 1122955541 /nfs/dbraw/zinc/95/55/41/1122955541.db2.gz TXGRMLMXDYTXNV-UHFFFAOYSA-N 0 0 287.407 3.589 20 10 CHCDRN CC[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(O)c(O)c1 ZINC001203880610 1122959038 /nfs/dbraw/zinc/95/90/38/1122959038.db2.gz VYINTVWEJHQADY-UHFFFAOYSA-N 0 0 291.778 3.773 20 10 CHCDRN CSCCCCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776016105 1123036743 /nfs/dbraw/zinc/03/67/43/1123036743.db2.gz ZBSSWKNHEAFAST-UHFFFAOYSA-N 0 0 291.819 3.808 20 10 CHCDRN C[C@H]1Cc2cc(CNc3ccc4c(c3)ncn4C)ccc2O1 ZINC001201115121 1123073800 /nfs/dbraw/zinc/07/38/00/1123073800.db2.gz XUUBHVCRXLCURT-LBPRGKRZSA-N 0 0 293.370 3.509 20 10 CHCDRN Cn1cnc2cc(NCc3ccc4cc[nH]c4c3)ccc21 ZINC001201114956 1123073834 /nfs/dbraw/zinc/07/38/34/1123073834.db2.gz TUZFBUGFFXEEIS-UHFFFAOYSA-N 0 0 276.343 3.667 20 10 CHCDRN Cc1ccc(CC[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000776174822 1123101589 /nfs/dbraw/zinc/10/15/89/1123101589.db2.gz HHHDIYFXWGCITO-UHFFFAOYSA-N 0 0 275.779 3.686 20 10 CHCDRN CC(C)Nc1ccc(Nc2cc(Cl)ncc2CO)cc1 ZINC001201491722 1123109479 /nfs/dbraw/zinc/10/94/79/1123109479.db2.gz SKNFKPSLHGHQIT-UHFFFAOYSA-N 0 0 291.782 3.791 20 10 CHCDRN Cc1cccc(C(N)=O)c1Nc1ccc(NC(C)C)cc1 ZINC001201498983 1123111295 /nfs/dbraw/zinc/11/12/95/1123111295.db2.gz JJCMBLPEIOLVTE-UHFFFAOYSA-N 0 0 283.375 3.658 20 10 CHCDRN CSc1ccncc1NC/C=C/c1ccc(N(C)C)cc1 ZINC001201580095 1123127753 /nfs/dbraw/zinc/12/77/53/1123127753.db2.gz IGDPHIDCBZRCDH-SNAWJCMRSA-N 0 0 299.443 3.995 20 10 CHCDRN CCCC(C)(C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776239908 1123173808 /nfs/dbraw/zinc/17/38/08/1123173808.db2.gz SDGMTYFXVCGTCV-ZDUSSCGKSA-N 0 0 291.439 3.692 20 10 CHCDRN Cc1cc(C)c(CNC(=O)Nc2c(C)cccc2C)c(O)c1 ZINC001202214777 1123188462 /nfs/dbraw/zinc/18/84/62/1123188462.db2.gz CWZISEQYPLDXOF-UHFFFAOYSA-N 0 0 298.386 3.948 20 10 CHCDRN CCCCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108295578 1123230116 /nfs/dbraw/zinc/23/01/16/1123230116.db2.gz KXFKHAYPHSJION-UHFFFAOYSA-N 0 0 288.435 3.729 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC000776451594 1123233828 /nfs/dbraw/zinc/23/38/28/1123233828.db2.gz XIIBVCDCFIIMPN-GDBMZVCRSA-N 0 0 288.435 3.537 20 10 CHCDRN COC1(CSc2ncc(Cl)s2)CCCC1 ZINC000850000278 1123236087 /nfs/dbraw/zinc/23/60/87/1123236087.db2.gz OWBKZLHQYJVNBO-UHFFFAOYSA-N 0 0 263.815 3.848 20 10 CHCDRN CCC[C@@H](C)NC(=O)[C@H](C)Sc1ncc(Cl)s1 ZINC000849999636 1123236181 /nfs/dbraw/zinc/23/61/81/1123236181.db2.gz VPAAQDHXIXGAAW-SFYZADRCSA-N 0 0 292.857 3.582 20 10 CHCDRN CCCCCNC(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000849999424 1123236410 /nfs/dbraw/zinc/23/64/10/1123236410.db2.gz QYWPJXQDWIJSJR-MRVPVSSYSA-N 0 0 292.857 3.584 20 10 CHCDRN CCSC1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000850394453 1123261958 /nfs/dbraw/zinc/26/19/58/1123261958.db2.gz ROLWBOGNMXGQJZ-UHFFFAOYSA-N 0 0 289.803 3.560 20 10 CHCDRN CC[C@H](COCC1CC1)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000850493191 1123275451 /nfs/dbraw/zinc/27/54/51/1123275451.db2.gz HVHPDYZCTCFACA-ZWNOBZJWSA-N 0 0 299.361 3.526 20 10 CHCDRN CC[C@H]([NH2+]CCc1cnccc1C)c1ccc(F)cc1[O-] ZINC000850505254 1123275914 /nfs/dbraw/zinc/27/59/14/1123275914.db2.gz QDBTXQDYIDDSEO-INIZCTEOSA-N 0 0 288.366 3.518 20 10 CHCDRN C[C@H](NCC(F)(F)c1cccc(F)c1)c1ccccc1O ZINC000850504121 1123276201 /nfs/dbraw/zinc/27/62/01/1123276201.db2.gz VBHNNAVBJUGEOA-NSHDSACASA-N 0 0 295.304 3.974 20 10 CHCDRN C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1cscn1 ZINC000850511274 1123277704 /nfs/dbraw/zinc/27/77/04/1123277704.db2.gz BCSOKPHTHGCUOQ-HTQZYQBOSA-N 0 0 284.331 3.539 20 10 CHCDRN C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1cc(F)cc(F)c1[O-] ZINC000850536172 1123286991 /nfs/dbraw/zinc/28/69/91/1123286991.db2.gz HVNAEPABKKGXRC-OQPBUACISA-N 0 0 291.288 3.756 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000850539182 1123287874 /nfs/dbraw/zinc/28/78/74/1123287874.db2.gz BKSZESUBUVBDHZ-ISVAXAHUSA-N 0 0 255.308 3.510 20 10 CHCDRN C[C@@H](NCC(F)(F)C(C)(C)C)c1cc(F)ccc1O ZINC000850571850 1123294962 /nfs/dbraw/zinc/29/49/62/1123294962.db2.gz CVIXHAKGRQHJOT-SECBINFHSA-N 0 0 275.314 3.863 20 10 CHCDRN CC(C)(C)C(F)(F)CN[C@H]1CCc2cccc(O)c21 ZINC000850572260 1123295655 /nfs/dbraw/zinc/29/56/55/1123295655.db2.gz IYLRHFOKPSLYRE-NSHDSACASA-N 0 0 269.335 3.651 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1cccc(Cl)c1[O-] ZINC000850571282 1123295665 /nfs/dbraw/zinc/29/56/65/1123295665.db2.gz OXRFMOSEDDCLDL-BXUZGUMPSA-N 0 0 297.826 3.901 20 10 CHCDRN C[C@H](c1c(F)cccc1F)N(C)Cc1ccccc1O ZINC000109772107 1123326108 /nfs/dbraw/zinc/32/61/08/1123326108.db2.gz CLNACDFSSWGOHW-LLVKDONJSA-N 0 0 277.314 3.863 20 10 CHCDRN c1csc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000110052153 1123368858 /nfs/dbraw/zinc/36/88/58/1123368858.db2.gz FTQRZMUJNOKSTP-UHFFFAOYSA-N 0 0 273.405 3.746 20 10 CHCDRN CCC1(C(=O)Nc2ccc(N)cc2)CCC(F)(F)CC1 ZINC000851633351 1123371858 /nfs/dbraw/zinc/37/18/58/1123371858.db2.gz HNWCVMSQLCJRPO-UHFFFAOYSA-N 0 0 282.334 3.813 20 10 CHCDRN CCOc1ccc(N(CC)Cc2cc(C)nc(C)n2)cc1 ZINC000851829508 1123383351 /nfs/dbraw/zinc/38/33/51/1123383351.db2.gz IGLLKAXVYMQDIH-UHFFFAOYSA-N 0 0 285.391 3.519 20 10 CHCDRN CCOc1ccc(N(CC)Cc2cncs2)cc1 ZINC000851829676 1123383556 /nfs/dbraw/zinc/38/35/56/1123383556.db2.gz JTHPNIIZWVBYNP-UHFFFAOYSA-N 0 0 262.378 3.568 20 10 CHCDRN Nc1ccc(Cc2noc(C3[C@@H]4CCCCCC[C@@H]34)n2)cc1 ZINC000854134377 1123471100 /nfs/dbraw/zinc/47/11/00/1123471100.db2.gz PVLWWPQBCOVRIY-HUUCEWRRSA-N 0 0 297.402 3.926 20 10 CHCDRN [O-]c1c(C[NH2+]CC[C@H]2CCCC2(F)F)ccc(F)c1F ZINC000895545659 1123490947 /nfs/dbraw/zinc/49/09/47/1123490947.db2.gz VMBTVRBHEFUVQO-SNVBAGLBSA-N 0 0 291.288 3.586 20 10 CHCDRN C[C@@H](Nc1cnn(Cc2ccccc2)c1)c1ccccc1O ZINC000193927134 1129125981 /nfs/dbraw/zinc/12/59/81/1129125981.db2.gz ZTNMLTQJWOFSPK-CQSZACIVSA-N 0 0 293.370 3.810 20 10 CHCDRN CC(C)(C(=O)NCc1cc(Cl)ccc1O)C1CCCC1 ZINC000857547460 1123606750 /nfs/dbraw/zinc/60/67/50/1123606750.db2.gz FMYIQAQJNCLVOK-UHFFFAOYSA-N 0 0 295.810 3.878 20 10 CHCDRN CC[C@@H](C)Oc1cc(Sc2nccs2)nc(C)n1 ZINC000858359752 1123647650 /nfs/dbraw/zinc/64/76/50/1123647650.db2.gz JJVMUKDOCDGZMD-MRVPVSSYSA-N 0 0 281.406 3.570 20 10 CHCDRN COc1cccc([C@@H](C)Nc2cccc3c2OCC3)c1O ZINC000858478682 1123656899 /nfs/dbraw/zinc/65/68/99/1123656899.db2.gz ADSFIEXIHUWDNT-LLVKDONJSA-N 0 0 285.343 3.509 20 10 CHCDRN C[C@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1cc(F)cc(F)c1[O-] ZINC000858538826 1123660788 /nfs/dbraw/zinc/66/07/88/1123660788.db2.gz YEERVKCWONIQBY-DJQAVVSRSA-N 0 0 281.346 3.757 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1cccc(Cl)c1[O-] ZINC000858547692 1123661346 /nfs/dbraw/zinc/66/13/46/1123661346.db2.gz NNJYJJRUVLJMPC-UGFHNGPFSA-N 0 0 295.810 3.654 20 10 CHCDRN COCc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1OC ZINC000858568311 1123663217 /nfs/dbraw/zinc/66/32/17/1123663217.db2.gz QRACXGFOLLHJBT-OAHLLOKOSA-N 0 0 299.370 3.647 20 10 CHCDRN 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CHCDRN Cc1cc(N(C)C)ccc1CNc1ccncc1Cl ZINC000301535790 1123908857 /nfs/dbraw/zinc/90/88/57/1123908857.db2.gz TWOYLWADYBAGFN-UHFFFAOYSA-N 0 0 275.783 3.722 20 10 CHCDRN CCOc1ccc(N(C)Cc2c(F)cccc2F)cc1 ZINC000864012332 1123908881 /nfs/dbraw/zinc/90/88/81/1123908881.db2.gz GMRWCLWVXGEQBI-UHFFFAOYSA-N 0 0 277.314 4.000 20 10 CHCDRN C[C@H](Nc1cc(F)cc(N(C)C)c1)c1cc(F)ccc1O ZINC000864025124 1123910975 /nfs/dbraw/zinc/91/09/75/1123910975.db2.gz NHDLVOYNEIUKAN-JTQLQIEISA-N 0 0 292.329 3.910 20 10 CHCDRN Cc1cc(O)c(CNc2ccc3cn[nH]c3c2)c(Cl)c1 ZINC000864043686 1123912978 /nfs/dbraw/zinc/91/29/78/1123912978.db2.gz UDAMGXUXDNWVGC-UHFFFAOYSA-N 0 0 287.750 3.842 20 10 CHCDRN CCN(Cc1cc(C)cc(C)c1O)[C@@H](C)C(F)(F)F ZINC000794677404 1123926821 /nfs/dbraw/zinc/92/68/21/1123926821.db2.gz JKXUUNMGUYYSMI-NSHDSACASA-N 0 0 275.314 3.782 20 10 CHCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)CC(C)C)c1 ZINC000084631656 1129154213 /nfs/dbraw/zinc/15/42/13/1129154213.db2.gz IUIULDJIQHXFEY-GFCCVEGCSA-N 0 0 293.407 3.650 20 10 CHCDRN Cc1nsc(Sc2ncc(C(C)(C)C)s2)n1 ZINC000301953521 1123946215 /nfs/dbraw/zinc/94/62/15/1123946215.db2.gz JPJBQLTVGWZHPI-UHFFFAOYSA-N 0 0 271.436 3.752 20 10 CHCDRN CC[C@H](Nc1ccc(C)nc1)c1ccc(C)cc1O ZINC000794813944 1123957425 /nfs/dbraw/zinc/95/74/25/1123957425.db2.gz QMVXLZFZYKMHII-HNNXBMFYSA-N 0 0 256.349 3.967 20 10 CHCDRN COCC(C)(C)CSc1ncc(Cl)s1 ZINC000865371939 1123975683 /nfs/dbraw/zinc/97/56/83/1123975683.db2.gz JAPKBYXYFZEZQT-UHFFFAOYSA-N 0 0 251.804 3.561 20 10 CHCDRN Cc1cc(N[C@H](C)c2ccccc2O)nc(C2CC2)n1 ZINC000866236618 1124039281 /nfs/dbraw/zinc/03/92/81/1124039281.db2.gz CADXXZJZHYNHIJ-LLVKDONJSA-N 0 0 269.348 3.541 20 10 CHCDRN CC(C)C[C@H](C)OC(=O)N[C@@H](C)c1ccccc1O ZINC000867836208 1124103801 /nfs/dbraw/zinc/10/38/01/1124103801.db2.gz JQXCAEFNCYEYOX-RYUDHWBXSA-N 0 0 265.353 3.614 20 10 CHCDRN CCOC(=O)c1cc(C)c(Nc2ccc(N)cc2)c(C)c1 ZINC001159782758 1131261493 /nfs/dbraw/zinc/26/14/93/1131261493.db2.gz AAEGDDVGDYWHCN-UHFFFAOYSA-N 0 0 284.359 3.806 20 10 CHCDRN O=C(C1=CC(=O)CS1)N(CC1CC1)c1cccc(F)c1 ZINC000869718117 1124528559 /nfs/dbraw/zinc/52/85/59/1124528559.db2.gz PLLNXJKGUILCTC-UHFFFAOYSA-N 0 0 291.347 3.650 20 10 CHCDRN C[C@@H](C1CC1)N(C(=O)c1cccc(O)c1O)c1ccccc1 ZINC000869878771 1124539367 /nfs/dbraw/zinc/53/93/67/1124539367.db2.gz UQAGUEMRRPYWPK-LBPRGKRZSA-N 0 0 297.354 3.543 20 10 CHCDRN Oc1ccc(-c2csc(N3CCCCCC3)n2)cc1O ZINC000123203089 1124575521 /nfs/dbraw/zinc/57/55/21/1124575521.db2.gz HCIJPDRBVNQJSO-UHFFFAOYSA-N 0 0 290.388 3.602 20 10 CHCDRN Cc1cc(-c2ccnc3c2ccn3C)cnc1OCC(C)C ZINC001238925369 1131271315 /nfs/dbraw/zinc/27/13/15/1131271315.db2.gz XFGJIJGAFQDZFO-UHFFFAOYSA-N 0 0 295.386 3.979 20 10 CHCDRN CCCCCC(C)(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202966 1124602413 /nfs/dbraw/zinc/60/24/13/1124602413.db2.gz IEWQTHWVHAZBMW-UHFFFAOYSA-N 0 0 275.392 3.841 20 10 CHCDRN O=C([C@@H]1CCC[C@@H]2CCCC[C@H]12)N1Cc2cccc(O)c2C1 ZINC000871204736 1124602512 /nfs/dbraw/zinc/60/25/12/1124602512.db2.gz JHCUJULGEQVINR-CWRNSKLLSA-N 0 0 299.414 3.841 20 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COCC(C)(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000872104836 1124684176 /nfs/dbraw/zinc/68/41/76/1124684176.db2.gz RDHFZIGOYZIEJM-NSHDSACASA-N 0 0 285.815 3.759 20 10 CHCDRN CC(C)c1ccccc1NC(=O)Cc1ccc(N)cc1 ZINC000019392874 1124699515 /nfs/dbraw/zinc/69/95/15/1124699515.db2.gz OIIFQOAHHIJDAG-UHFFFAOYSA-N 0 0 268.360 3.573 20 10 CHCDRN Cc1ccc(SCCC(=O)Nc2ccc(N)cc2)cc1 ZINC000019846224 1124753104 /nfs/dbraw/zinc/75/31/04/1124753104.db2.gz BZBFXLOFEZJTDZ-UHFFFAOYSA-N 0 0 286.400 3.698 20 10 CHCDRN CN(C(=O)c1ccccc1C1(C)CC1)c1ccc(N)cc1 ZINC001122172489 1131298714 /nfs/dbraw/zinc/29/87/14/1131298714.db2.gz BWBJPMNRCINLDQ-UHFFFAOYSA-N 0 0 280.371 3.597 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)NCC[C@@H](C)CC ZINC000820872318 1131308088 /nfs/dbraw/zinc/30/80/88/1131308088.db2.gz BBXXECXBFKEKFR-AWEZNQCLSA-N 0 0 292.423 3.750 20 10 CHCDRN C[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000124662239 1124803310 /nfs/dbraw/zinc/80/33/10/1124803310.db2.gz WTGYIEFHKANTGV-GFCCVEGCSA-N 0 0 275.779 3.939 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000124676512 1124803914 /nfs/dbraw/zinc/80/39/14/1124803914.db2.gz UBNNNEUVGXIGOO-OAHLLOKOSA-N 0 0 273.763 3.823 20 10 CHCDRN COc1ccc(O)c(CNc2cccc(SC)c2)c1 ZINC000020086684 1124804821 /nfs/dbraw/zinc/80/48/21/1124804821.db2.gz ZIZVWXBHJICPAX-UHFFFAOYSA-N 0 0 275.373 3.735 20 10 CHCDRN COc1ccc(O)c([C@H](C)Nc2cnc3ccccc3n2)c1 ZINC000728910125 1124828630 /nfs/dbraw/zinc/82/86/30/1124828630.db2.gz VCWFQUAIYKNIDH-NSHDSACASA-N 0 0 295.342 3.517 20 10 CHCDRN CC[C@@H](CC(C)C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000825737285 1124831154 /nfs/dbraw/zinc/83/11/54/1124831154.db2.gz XVUHBWXQZLJJAB-OLZOCXBDSA-N 0 0 293.407 3.650 20 10 CHCDRN CCCC[C@@H](CC)COC(=O)NCCc1ccc(N)cc1 ZINC001239325283 1131317371 /nfs/dbraw/zinc/31/73/71/1131317371.db2.gz FOFLTMWCEVYUOP-CQSZACIVSA-N 0 0 292.423 3.754 20 10 CHCDRN CCCCN(C(=O)/C=C/c1cncc(C)c1)c1cccnc1 ZINC000875882666 1124908818 /nfs/dbraw/zinc/90/88/18/1124908818.db2.gz CUYRAZBYTXQAQY-BQYQJAHWSA-N 0 0 295.386 3.632 20 10 CHCDRN CCCCN(C(=O)/C=C\c1cnccc1C)c1ccncc1 ZINC000876292155 1124935491 /nfs/dbraw/zinc/93/54/91/1124935491.db2.gz KXHFLOJDGMMTCY-WAYWQWQTSA-N 0 0 295.386 3.632 20 10 CHCDRN Cc1ccc(CNc2cccc(NC(=O)C(C)C)c2)c(O)c1 ZINC000876819437 1124981375 /nfs/dbraw/zinc/98/13/75/1124981375.db2.gz LLKYHKKLBUTAMX-UHFFFAOYSA-N 0 0 298.386 3.907 20 10 CHCDRN CC(=O)Nc1c(C)ccc(NCc2c(C)cccc2O)c1C ZINC000876824390 1124981979 /nfs/dbraw/zinc/98/19/79/1124981979.db2.gz NRAPZPACHCZGPH-UHFFFAOYSA-N 0 0 298.386 3.888 20 10 CHCDRN Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877015438 1124998372 /nfs/dbraw/zinc/99/83/72/1124998372.db2.gz PTKNZLKHUHJMLK-OAHLLOKOSA-N 0 0 289.325 3.756 20 10 CHCDRN Cc1ccc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)c(O)c1 ZINC000877038525 1125000790 /nfs/dbraw/zinc/00/07/90/1125000790.db2.gz RFFNLOMFAPCNCZ-RDJZCZTQSA-N 0 0 291.435 3.632 20 10 CHCDRN CN(C(=O)c1ccc(C2CCC2)cc1)c1ccc(N)cc1 ZINC000877075223 1125005032 /nfs/dbraw/zinc/00/50/32/1125005032.db2.gz APLBAMBBBVCZRJ-UHFFFAOYSA-N 0 0 280.371 3.813 20 10 CHCDRN CCCC[C@@H](C(=O)N(C)c1ccc(N)cc1)C(C)C ZINC000877074987 1125005979 /nfs/dbraw/zinc/00/59/79/1125005979.db2.gz XDXUYLXRAGTTCC-OAHLLOKOSA-N 0 0 262.397 3.694 20 10 CHCDRN CC[C@H](CC(=O)N(C)c1ccc(N)cc1)c1ccccc1 ZINC000877078096 1125006670 /nfs/dbraw/zinc/00/66/70/1125006670.db2.gz CTMKFIQUPZEHFX-CQSZACIVSA-N 0 0 282.387 3.816 20 10 CHCDRN COC(=O)c1cc2ccc(-c3ccc(C)nc3C)cc2n1C ZINC001239457470 1131326891 /nfs/dbraw/zinc/32/68/91/1131326891.db2.gz GBWGCUJKXXZOBH-UHFFFAOYSA-N 0 0 294.354 3.644 20 10 CHCDRN Cc1ccc(CNc2ccc(F)c([C@H](C)O)c2)c(O)c1 ZINC000877520721 1125037844 /nfs/dbraw/zinc/03/78/44/1125037844.db2.gz GNEJYEZTQPYBID-NSHDSACASA-N 0 0 275.323 3.505 20 10 CHCDRN CC(C)([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1F ZINC000877545674 1125042164 /nfs/dbraw/zinc/04/21/64/1125042164.db2.gz LCQKASQSGGEJKB-UHFFFAOYSA-N 0 0 295.304 3.834 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000877771118 1125078345 /nfs/dbraw/zinc/07/83/45/1125078345.db2.gz LHJCVQQQHYVGKF-AWEZNQCLSA-N 0 0 295.810 3.627 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C1CCC1 ZINC000128188957 1125249414 /nfs/dbraw/zinc/24/94/14/1125249414.db2.gz ULRGPNBGCXLXNN-ZDUSSCGKSA-N 0 0 290.407 3.502 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCC(C)C)cc1 ZINC001124423938 1131349765 /nfs/dbraw/zinc/34/97/65/1131349765.db2.gz JYRCZKNIZXLUTB-UHFFFAOYSA-N 0 0 284.403 3.870 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCc2c1cccc2F ZINC000882935645 1125362884 /nfs/dbraw/zinc/36/28/84/1125362884.db2.gz YHSDVOWEYLXSFN-HNNXBMFYSA-N 0 0 293.288 3.587 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000882944748 1125363623 /nfs/dbraw/zinc/36/36/23/1125363623.db2.gz UAQIUPUTWDLTDL-UHFFFAOYSA-N 0 0 289.325 3.839 20 10 CHCDRN CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1nc(C)cs1 ZINC000882986706 1125365680 /nfs/dbraw/zinc/36/56/80/1125365680.db2.gz HGMSRMUFNYGRJJ-LBPRGKRZSA-N 0 0 298.358 3.676 20 10 CHCDRN CN(Cc1ccccc1O)c1ncnc2cc(Cl)ccc21 ZINC000760262777 1125400420 /nfs/dbraw/zinc/40/04/20/1125400420.db2.gz OSEXSCRJXABNPT-UHFFFAOYSA-N 0 0 299.761 3.625 20 10 CHCDRN CCSCc1cccnc1NCc1ccccc1O ZINC000883378304 1125405096 /nfs/dbraw/zinc/40/50/96/1125405096.db2.gz GTUGXUZPCLVBFJ-UHFFFAOYSA-N 0 0 274.389 3.652 20 10 CHCDRN CC[C@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000028020604 1125413458 /nfs/dbraw/zinc/41/34/58/1125413458.db2.gz AUMHMQLVHXKOSF-SFHVURJKSA-N 0 0 296.414 3.563 20 10 CHCDRN CC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000028020599 1125413558 /nfs/dbraw/zinc/41/35/58/1125413558.db2.gz AUMHMQLVHXKOSF-GOSISDBHSA-N 0 0 296.414 3.563 20 10 CHCDRN Clc1ccc(COc2ccc(N3CCCC3)cc2)cn1 ZINC000132036565 1125413576 /nfs/dbraw/zinc/41/35/76/1125413576.db2.gz FGLRUVGFTNZKGM-UHFFFAOYSA-N 0 0 288.778 3.914 20 10 CHCDRN Cc1nc(COc2ccc(N3CCCC3)cc2)sc1C ZINC000088521544 1129206654 /nfs/dbraw/zinc/20/66/54/1129206654.db2.gz MVIOTPQOPUMNKJ-UHFFFAOYSA-N 0 0 288.416 3.939 20 10 CHCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 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ZINC000735415739 1129342519 /nfs/dbraw/zinc/34/25/19/1129342519.db2.gz PUYJDGIGIAMMLC-SNVBAGLBSA-N 0 0 299.804 3.803 20 10 CHCDRN CCSCCSc1ncc(-c2ccccc2)n1C ZINC000735795718 1129359059 /nfs/dbraw/zinc/35/90/59/1129359059.db2.gz PQQZYPRXDYKSNE-UHFFFAOYSA-N 0 0 278.446 3.932 20 10 CHCDRN CCN(Cc1ccccc1O)c1cc(C(C)C)nc(C)n1 ZINC001154889712 1129369727 /nfs/dbraw/zinc/36/97/27/1129369727.db2.gz FRWABOBJMRWRJK-UHFFFAOYSA-N 0 0 285.391 3.641 20 10 CHCDRN Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000092326844 1129386934 /nfs/dbraw/zinc/38/69/34/1129386934.db2.gz WAYLTOBKRAOHPK-BDAKNGLRSA-N 0 0 278.327 3.548 20 10 CHCDRN CCOc1ccc(N(C)Cc2noc3c2CCCC3)cc1 ZINC000739923207 1129409688 /nfs/dbraw/zinc/40/96/88/1129409688.db2.gz ZFFQVQJPBGWHHS-UHFFFAOYSA-N 0 0 286.375 3.589 20 10 CHCDRN CS[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000248483397 1129419443 /nfs/dbraw/zinc/41/94/43/1129419443.db2.gz CRYSXHDDTFNQEC-KGYLQXTDSA-N 0 0 283.412 3.856 20 10 CHCDRN CCOc1ccc(N(CC)CCC(F)(F)F)cc1 ZINC000740876148 1129422098 /nfs/dbraw/zinc/42/20/98/1129422098.db2.gz NNICTDOECRSROX-UHFFFAOYSA-N 0 0 261.287 3.864 20 10 CHCDRN FCCCCN1CCCc2cc(OC(F)F)ccc21 ZINC000795940909 1129459450 /nfs/dbraw/zinc/45/94/50/1129459450.db2.gz WYKSSVHFDXIMMV-UHFFFAOYSA-N 0 0 273.298 3.790 20 10 CHCDRN Cc1ncsc1CCN(C)c1ccc(OC(C)C)cc1 ZINC000796043131 1129464961 /nfs/dbraw/zinc/46/49/61/1129464961.db2.gz YZFPDFCWNDKBAH-UHFFFAOYSA-N 0 0 290.432 3.918 20 10 CHCDRN CCC[C@@H](C)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743715727 1129535127 /nfs/dbraw/zinc/53/51/27/1129535127.db2.gz DHMBMIVHBDXSDJ-CYBMUJFWSA-N 0 0 289.419 3.714 20 10 CHCDRN C[C@H]1CCN(C(=O)C2=CC(=O)CS2)[C@@H](c2ccco2)C1 ZINC000743820699 1129538045 /nfs/dbraw/zinc/53/80/45/1129538045.db2.gz DTWRJTZTZJXJDE-CMPLNLGQSA-N 0 0 291.372 3.660 20 10 CHCDRN FC(F)Oc1ccc2c(c1)CCCN2CC1CCC1 ZINC000744391350 1129575249 /nfs/dbraw/zinc/57/52/49/1129575249.db2.gz TWSSAPZRCHZGQI-UHFFFAOYSA-N 0 0 267.319 3.841 20 10 CHCDRN O=C(OCCF)c1ccccc1NN=C1C=CC(=O)C=C1 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ZINC000768207330 1129840093 /nfs/dbraw/zinc/84/00/93/1129840093.db2.gz DBLYOHVXPOOIKD-UHFFFAOYSA-N 0 0 289.448 3.621 20 10 CHCDRN COc1cccc(C[N@@H+]2CCC[C@H]2C2CCCCC2)c1O ZINC000768319336 1129850667 /nfs/dbraw/zinc/85/06/67/1129850667.db2.gz MXDGGVJFPVXAIZ-INIZCTEOSA-N 0 0 289.419 3.946 20 10 CHCDRN Oc1cc2c(cc1CN(CC(F)F)C1CC1)CCCC2 ZINC000768453306 1129857737 /nfs/dbraw/zinc/85/77/37/1129857737.db2.gz UZHRUASUGKSBOP-UHFFFAOYSA-N 0 0 281.346 3.501 20 10 CHCDRN COc1ccc(N(CC(C)C)C[C@H]2CCCOC2)cc1 ZINC000768543111 1129859860 /nfs/dbraw/zinc/85/98/60/1129859860.db2.gz ZHWNTJIVTSUOEQ-OAHLLOKOSA-N 0 0 277.408 3.584 20 10 CHCDRN COc1ccc(N(CC(C)C)C[C@@H]2CCCOC2)cc1 ZINC000768543109 1129860487 /nfs/dbraw/zinc/86/04/87/1129860487.db2.gz ZHWNTJIVTSUOEQ-HNNXBMFYSA-N 0 0 277.408 3.584 20 10 CHCDRN CCCC[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000800519401 1129881602 /nfs/dbraw/zinc/88/16/02/1129881602.db2.gz PVBRZHFQLSTVTN-CYBMUJFWSA-N 0 0 289.419 3.714 20 10 CHCDRN CC(C)[C@H]1CCC[C@H](NC(=O)C2=CC(=O)CS2)CC1 ZINC000769652008 1129920160 /nfs/dbraw/zinc/92/01/60/1129920160.db2.gz ADXJBZCMUIYGQZ-RYUDHWBXSA-N 0 0 281.421 3.788 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)C(C)=C(C)C ZINC000801548092 1129926028 /nfs/dbraw/zinc/92/60/28/1129926028.db2.gz MLWIWHKZHPYWFZ-UHFFFAOYSA-N 0 0 275.392 3.877 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C\c1ccco1 ZINC000801545836 1129926085 /nfs/dbraw/zinc/92/60/85/1129926085.db2.gz SBYMVVOBINENHJ-KHPPLWFESA-N 0 0 299.370 3.827 20 10 CHCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC23CCC3)c1[O-] ZINC000769983199 1129934860 /nfs/dbraw/zinc/93/48/60/1129934860.db2.gz GQZFKQLOTCPRRS-UHFFFAOYSA-N 0 0 293.794 3.767 20 10 CHCDRN CCOc1ccc(CNc2cc(C)ccc2F)c(O)c1 ZINC000770413270 1129946700 /nfs/dbraw/zinc/94/67/00/1129946700.db2.gz ZXMOAHCOQYQEIK-UHFFFAOYSA-N 0 0 275.323 3.851 20 10 CHCDRN CCCN(Cc1ccccc1O)c1cnc2ccccc2n1 ZINC000770470463 1129947416 /nfs/dbraw/zinc/94/74/16/1129947416.db2.gz UBBQBRQARMQPTJ-UHFFFAOYSA-N 0 0 293.370 3.752 20 10 CHCDRN COc1c(F)cc(F)cc1NCc1cc(Cl)ccc1O ZINC000770562465 1129952992 /nfs/dbraw/zinc/95/29/92/1129952992.db2.gz FIJNOHOHIDQOAC-UHFFFAOYSA-N 0 0 299.704 3.945 20 10 CHCDRN CCOc1ccccc1NCc1cccc(CC)c1O ZINC000691501016 1129978285 /nfs/dbraw/zinc/97/82/85/1129978285.db2.gz SPHPKKQJHVZKIB-UHFFFAOYSA-N 0 0 271.360 3.965 20 10 CHCDRN CCOc1ccc(CNc2cccnc2C2CC2)c(O)c1 ZINC000902292345 1129997151 /nfs/dbraw/zinc/99/71/51/1129997151.db2.gz ZQFNCKOFWNWXCA-UHFFFAOYSA-N 0 0 284.359 3.675 20 10 CHCDRN CCOc1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c(O)c1 ZINC000771939248 1129997389 /nfs/dbraw/zinc/99/73/89/1129997389.db2.gz OOKYXKFJNINUIY-QGZVFWFLSA-N 0 0 283.371 3.738 20 10 CHCDRN CCN(C(=O)/C=C\c1cncc(C)c1)c1ccc(C)cc1 ZINC000772046878 1130002194 /nfs/dbraw/zinc/00/21/94/1130002194.db2.gz MRMVIYLGQKBAOF-YFHOEESVSA-N 0 0 280.371 3.765 20 10 CHCDRN Cc1ccc2c(c1)N(C(=O)/C=C/c1cncc(C)c1)CCC2 ZINC000772117973 1130005457 /nfs/dbraw/zinc/00/54/57/1130005457.db2.gz FYOUKEIEPVNXPL-SOFGYWHQSA-N 0 0 292.382 3.691 20 10 CHCDRN CCOc1ccc(N(CC)C[C@@H]2CCO[C@@H](C)C2)cc1 ZINC000785743472 1130052123 /nfs/dbraw/zinc/05/21/23/1130052123.db2.gz LNIGEQVXPUGXPA-LSDHHAIUSA-N 0 0 277.408 3.727 20 10 CHCDRN CCOc1ccc(N(CC)Cc2ncc(C)s2)cc1 ZINC000772203667 1130012467 /nfs/dbraw/zinc/01/24/67/1130012467.db2.gz YVQCEKQCAPBVRI-UHFFFAOYSA-N 0 0 276.405 3.877 20 10 CHCDRN Cc1nc2[nH]ccc2c(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000772296264 1130016383 /nfs/dbraw/zinc/01/63/83/1130016383.db2.gz JPPFIJQOLMRQCW-LLVKDONJSA-N 0 0 295.390 3.505 20 10 CHCDRN CC(C)c1[nH]ccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000803119858 1130101122 /nfs/dbraw/zinc/10/11/22/1130101122.db2.gz AOIFFRMAXABQSH-ZDUSSCGKSA-N 0 0 299.418 3.695 20 10 CHCDRN Cc1cncc(/C=C\C(=O)N2CCC=Cc3ccccc32)c1 ZINC000786668870 1130112042 /nfs/dbraw/zinc/11/20/42/1130112042.db2.gz CLMQDWGOHCRQTQ-KTKRTIGZSA-N 0 0 290.366 3.853 20 10 CHCDRN Cc1ccncc1/C=C\C(=O)N1CCC=Cc2ccccc21 ZINC000786670036 1130112669 /nfs/dbraw/zinc/11/26/69/1130112669.db2.gz IWDJXXIVBGUQEN-KTKRTIGZSA-N 0 0 290.366 3.853 20 10 CHCDRN COc1ccc2c(c1)CCN2Cc1scnc1C1CC1 ZINC000787041673 1130126760 /nfs/dbraw/zinc/12/67/60/1130126760.db2.gz NKYTWBPOZYOWHF-UHFFFAOYSA-N 0 0 286.400 3.592 20 10 CHCDRN C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1[O-] ZINC000903266197 1130140689 /nfs/dbraw/zinc/14/06/89/1130140689.db2.gz WAAOSXOANGGBQY-HUBLWGQQSA-N 0 0 297.826 3.637 20 10 CHCDRN Cc1cscc1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000787295591 1130142982 /nfs/dbraw/zinc/14/29/82/1130142982.db2.gz MJYVPVKELNHLKR-UHFFFAOYSA-N 0 0 285.771 3.844 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(F)cn2)cc1Cl ZINC000787264488 1130143256 /nfs/dbraw/zinc/14/32/56/1130143256.db2.gz TZCNPKFAPINVKE-UHFFFAOYSA-N 0 0 280.730 3.519 20 10 CHCDRN COc1ccc(N(C)Cc2scnc2C2CC2)cc1F ZINC000787272441 1130143841 /nfs/dbraw/zinc/14/38/41/1130143841.db2.gz RBLJZVVTFKSTTO-UHFFFAOYSA-N 0 0 292.379 3.805 20 10 CHCDRN FC(F)Oc1ccc2c(c1)CCCN2C[C@H]1CCSC1 ZINC000787272103 1130145104 /nfs/dbraw/zinc/14/51/04/1130145104.db2.gz OHCVKCFEYODKDD-LLVKDONJSA-N 0 0 299.386 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Cc1cccc(CNc2cnc3ccc(Cl)cc3n2)c1O ZINC001160769302 1132981014 /nfs/dbraw/zinc/98/10/14/1132981014.db2.gz KJBDZLZCBIWGNW-UHFFFAOYSA-N 0 0 299.761 3.909 20 10 CHCDRN Cc1cc(C)c(CNc2cc(C(C)C)ncn2)c(O)c1 ZINC001160810543 1132983031 /nfs/dbraw/zinc/98/30/31/1132983031.db2.gz SCCHVCUWODASHR-UHFFFAOYSA-N 0 0 271.364 3.535 20 10 CHCDRN Cc1cc(C)c(CNc2ccc3ncccc3n2)c(O)c1 ZINC001160810926 1132983121 /nfs/dbraw/zinc/98/31/21/1132983121.db2.gz WQYVEPZBKFWCPA-UHFFFAOYSA-N 0 0 279.343 3.564 20 10 CHCDRN CCCCc1cc(N(CCC)Cc2ccccc2O)ncn1 ZINC001162781908 1133112360 /nfs/dbraw/zinc/11/23/60/1133112360.db2.gz ZULCFNGWTCILKY-UHFFFAOYSA-N 0 0 299.418 3.941 20 10 CHCDRN COc1ccc2nc(NCc3ccc(N)cc3)cc(C)c2c1 ZINC001162785430 1133112712 /nfs/dbraw/zinc/11/27/12/1133112712.db2.gz DJGFOQIDPKXMAX-UHFFFAOYSA-N 0 0 293.370 3.746 20 10 CHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1ncnc(C)c1C ZINC001163524436 1133156513 /nfs/dbraw/zinc/15/65/13/1133156513.db2.gz SXCOZPBAGJHMMX-CYBMUJFWSA-N 0 0 298.434 3.511 20 10 CHCDRN 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CHCDRN C[N@H+](Cc1c([O-])ccc(Cl)c1F)C1CC(C)(C)C1 ZINC001206216414 1133672136 /nfs/dbraw/zinc/67/21/36/1133672136.db2.gz XCBJPHKMMGKNDY-UHFFFAOYSA-N 0 0 271.763 3.805 20 10 CHCDRN C[C@@H]1[C@H](C)C[N@H+](Cc2c([O-])ccc(Cl)c2F)[C@H]1C ZINC001206342868 1133692993 /nfs/dbraw/zinc/69/29/93/1133692993.db2.gz MRHLZOWJTJKEBH-BBBLOLIVSA-N 0 0 271.763 3.661 20 10 CHCDRN C[C@@]1(CC[NH2+]Cc2ccc(Cl)cc2[O-])C[C@@]1(F)Cl ZINC001206516832 1133712816 /nfs/dbraw/zinc/71/28/16/1133712816.db2.gz GAOFKKAJXAZPOZ-OLZOCXBDSA-N 0 0 292.181 3.840 20 10 CHCDRN CC[N@H+](CCCc1cccc(F)c1)Cc1ccccc1O ZINC001207604353 1133827559 /nfs/dbraw/zinc/82/75/59/1133827559.db2.gz MMUQGYZDIFSGSO-UHFFFAOYSA-N 0 0 287.378 3.986 20 10 CHCDRN CCc1ccc(Nc2ccc3c(c2)OCCN3)cc1 ZINC001209726899 1134054881 /nfs/dbraw/zinc/05/48/81/1134054881.db2.gz DZYIAIFMHCBRHC-UHFFFAOYSA-N 0 0 254.333 3.797 20 10 CHCDRN Fc1cccc(F)c1Nc1ccc2c(c1)OCCN2 ZINC001209728908 1134056027 /nfs/dbraw/zinc/05/60/27/1134056027.db2.gz VGJSFSZPNAYZRV-UHFFFAOYSA-N 0 0 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CN(C)c1ccc(Nc2cccc(O)c2O)cc1Cl ZINC001216060634 1134763803 /nfs/dbraw/zinc/76/38/03/1134763803.db2.gz FJCCOGORCYIKKL-UHFFFAOYSA-N 0 0 278.739 3.561 20 10 CHCDRN Nc1ccc(Nc2ccc(N)cc2C(F)(F)F)cc1 ZINC001216132664 1134787991 /nfs/dbraw/zinc/78/79/91/1134787991.db2.gz RTMVQRGRNGSHRR-UHFFFAOYSA-N 0 0 267.254 3.613 20 10 CHCDRN COc1cc(N(C)c2ccc(N)cc2)ccc1C1CC1 ZINC001216253108 1134826860 /nfs/dbraw/zinc/82/68/60/1134826860.db2.gz FRRUDHXTKXHMQL-UHFFFAOYSA-N 0 0 268.360 3.923 20 10 CHCDRN COc1cc(Nc2cccc(O)c2O)ccc1C1CC1 ZINC001216251795 1134827309 /nfs/dbraw/zinc/82/73/09/1134827309.db2.gz KHQZHNNHJCNDTB-UHFFFAOYSA-N 0 0 271.316 3.727 20 10 CHCDRN CC[C@H](C)C[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC001222302493 1135220453 /nfs/dbraw/zinc/22/04/53/1135220453.db2.gz PLBBYFYRKIAYRU-XQQFMLRXSA-N 0 0 278.396 3.577 20 10 CHCDRN COc1ccc(O)cc1-c1ccc(-n2c(C)ccc2C)nc1 ZINC001222628919 1135257543 /nfs/dbraw/zinc/25/75/43/1135257543.db2.gz JLARMKSORXQKCN-UHFFFAOYSA-N 0 0 294.354 3.870 20 10 CHCDRN COCCc1ccccc1NCc1cccc(Cl)c1O ZINC000191679743 533325536 /nfs/dbraw/zinc/32/55/36/533325536.db2.gz UBCIJJSQOXLUPO-UHFFFAOYSA-N 0 0 291.778 3.847 20 10 CHCDRN Cc1ccc(O)c([C@H](C)Nc2ccc3c(c2)OCO3)c1 ZINC000035628734 172308090 /nfs/dbraw/zinc/30/80/90/172308090.db2.gz AQKHFMJTJSRGHP-NSHDSACASA-N 0 0 271.316 3.602 20 10 CHCDRN CCOc1cccc(NCc2cc(C)ccc2O)c1 ZINC000071408139 176156821 /nfs/dbraw/zinc/15/68/21/176156821.db2.gz VVCTXOVPLQWZRG-UHFFFAOYSA-N 0 0 257.333 3.711 20 10 CHCDRN Cc1ccc(O)c([C@H](C)Nc2ccc(N3CCCC3)nc2)c1 ZINC000192752365 227281139 /nfs/dbraw/zinc/28/11/39/227281139.db2.gz QRMMVFHXTKVXRY-AWEZNQCLSA-N 0 0 297.402 3.869 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNc1ncnc2ccccc21 ZINC000301294480 227502530 /nfs/dbraw/zinc/50/25/30/227502530.db2.gz ORGQUKPIKXGTDD-UHFFFAOYSA-N 0 0 292.386 3.616 20 10 CHCDRN Cc1cc(N(C)C)ccc1N[C@H](C)c1ccccc1O ZINC000036934944 260052158 /nfs/dbraw/zinc/05/21/58/260052158.db2.gz LUMFCGKASMVXOR-CYBMUJFWSA-N 0 0 270.376 3.940 20 10 CHCDRN CCCC[C@@H](CC)CC(=O)NCCc1ccc(N)cc1 ZINC000152520040 261065319 /nfs/dbraw/zinc/06/53/19/261065319.db2.gz YUFVYLRHYRZLEL-CQSZACIVSA-N 0 0 276.424 3.534 20 10 CHCDRN COC(=O)c1oc([C@H](C)Sc2nccs2)cc1C ZINC000154656405 261093680 /nfs/dbraw/zinc/09/36/80/261093680.db2.gz KNSSSWUQVKMUOZ-QMMMGPOBSA-N 0 0 283.374 3.684 20 10 CHCDRN CCc1ccc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)o1 ZINC000160564438 261217943 /nfs/dbraw/zinc/21/79/43/261217943.db2.gz YHPFUDYSBQGVSZ-CYBMUJFWSA-N 0 0 272.392 3.759 20 10 CHCDRN CC[C@H](Nc1cnn(CC)c1)c1ccc(N(C)C)cc1 ZINC000183368889 261972321 /nfs/dbraw/zinc/97/23/21/261972321.db2.gz XLHUCUNUFXJNSH-INIZCTEOSA-N 0 0 272.396 3.532 20 10 CHCDRN CO[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000185101748 262041047 /nfs/dbraw/zinc/04/10/47/262041047.db2.gz MBRWMFRRESYQKM-SJCJKPOMSA-N 0 0 289.350 3.570 20 10 CHCDRN COCC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185290820 262049093 /nfs/dbraw/zinc/04/90/93/262049093.db2.gz JZRSFVSDLXHNHY-RKDXNWHRSA-N 0 0 292.206 3.775 20 10 CHCDRN CC(C)[C@H](c1ccccc1)N(C)C(=O)c1cccc(O)c1O ZINC000188482350 262157426 /nfs/dbraw/zinc/15/74/26/262157426.db2.gz BWHKQXLXGDSYDF-MRXNPFEDSA-N 0 0 299.370 3.567 20 10 CHCDRN CCN(C(=O)/C=C\c1cncs1)c1ccccc1Cl ZINC000493717219 262245342 /nfs/dbraw/zinc/24/53/42/262245342.db2.gz FNDAXVAEMBICLZ-FPLPWBNLSA-N 0 0 292.791 3.863 20 10 CHCDRN CC[C@@H]([NH2+]CCCCCOC)c1cccc(Cl)c1[O-] ZINC000287854407 263102884 /nfs/dbraw/zinc/10/28/84/263102884.db2.gz WZVHXOKNEJKAMV-CQSZACIVSA-N 0 0 285.815 3.903 20 10 CHCDRN C[C@@H]([NH2+]CC1CC=CC1)c1ccc(Cl)cc1[O-] ZINC000527948604 330294369 /nfs/dbraw/zinc/29/43/69/330294369.db2.gz MAUSZVCFGLNPSG-SNVBAGLBSA-N 0 0 251.757 3.662 20 10 CHCDRN CC[C@@H](c1ccc(F)cc1[O-])[NH+]1CCC(CCOC)CC1 ZINC000527936719 330298023 /nfs/dbraw/zinc/29/80/23/330298023.db2.gz QYCOAYPOZBDYMK-INIZCTEOSA-N 0 0 295.398 3.731 20 10 CHCDRN C[C@H](Nc1ccnc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000149127554 330573857 /nfs/dbraw/zinc/57/38/57/330573857.db2.gz IHQSCBAQEZJOMV-NSHDSACASA-N 0 0 275.783 3.974 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000471228823 331504208 /nfs/dbraw/zinc/50/42/08/331504208.db2.gz XLRKFBZVMPNJHY-HWWDLCQESA-N 0 0 296.414 3.539 20 10 CHCDRN Cc1ccc(/C=C\C(=O)N(C)c2ccc3cc[nH]c3c2)cn1 ZINC000491997664 332378659 /nfs/dbraw/zinc/37/86/59/332378659.db2.gz GIKAJMGCSSXEQM-YVMONPNESA-N 0 0 291.354 3.548 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000565045792 334536218 /nfs/dbraw/zinc/53/62/18/334536218.db2.gz BUAOFLADAVEEIC-JKSUJKDBSA-N 0 0 296.414 3.539 20 10 CHCDRN CC(=O)C(=O)CSc1cc(C(C)(C)C)ccc1C ZINC000289645759 519357973 /nfs/dbraw/zinc/35/79/73/519357973.db2.gz NILUQKWQCPMCPE-UHFFFAOYSA-N 0 0 264.390 3.543 20 10 CHCDRN CCC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000299267510 521091935 /nfs/dbraw/zinc/09/19/35/521091935.db2.gz PWAVVZZJEQEYKT-CQSZACIVSA-N 0 0 283.371 3.892 20 10 CHCDRN CCOc1cccc(CNc2ccc(OC)cc2C)c1O ZINC000061565698 521378765 /nfs/dbraw/zinc/37/87/65/521378765.db2.gz VZHVQXBFDMNYQK-UHFFFAOYSA-N 0 0 287.359 3.720 20 10 CHCDRN COc1cc(NCc2cccc(OC)c2O)c(C)cc1C ZINC000280256060 522747269 /nfs/dbraw/zinc/74/72/69/522747269.db2.gz LOVMDTMNHTVFFT-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN CC[C@@H](Nc1c(C)nn(C)c1C)c1ccc(C)cc1O ZINC000280233532 522954446 /nfs/dbraw/zinc/95/44/46/522954446.db2.gz VLKMLGOQHMNXPC-CQSZACIVSA-N 0 0 273.380 3.614 20 10 CHCDRN CC[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2ccccc2O)C1 ZINC000077856173 523273121 /nfs/dbraw/zinc/27/31/21/523273121.db2.gz WXGKYWMOFBDCIT-UKRRQHHQSA-N 0 0 290.407 3.502 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)NC1CCC(C)(C)CC1 ZINC000074525346 523378845 /nfs/dbraw/zinc/37/88/45/523378845.db2.gz YKVOEBQYJQRJKS-UHFFFAOYSA-N 0 0 290.407 3.502 20 10 CHCDRN COc1ccc(N(Cc2c(C)noc2C)C(C)C)cc1F ZINC000263762846 524367498 /nfs/dbraw/zinc/36/74/98/524367498.db2.gz ZHXKTGXWLXWJKY-UHFFFAOYSA-N 0 0 292.354 3.854 20 10 CHCDRN Cc1cc(C)cc([C@H](C)NC(=O)NCc2ccccc2O)c1 ZINC000264381856 524468712 /nfs/dbraw/zinc/46/87/12/524468712.db2.gz JQXOQJYWPYRVGX-AWEZNQCLSA-N 0 0 298.386 3.569 20 10 CHCDRN COc1ccc(O)c(CNc2ccccc2OC(C)C)c1 ZINC000037125957 524756803 /nfs/dbraw/zinc/75/68/03/524756803.db2.gz SCHLJGZWKDJWSA-UHFFFAOYSA-N 0 0 287.359 3.800 20 10 CHCDRN COc1cccc(CNc2ccc(C)c(OC)c2C)c1O ZINC000037125864 526042549 /nfs/dbraw/zinc/04/25/49/526042549.db2.gz MUXRJHDLYQXAKQ-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN Cc1ccc2c(C3=CCN(c4cnccn4)CC3)c[nH]c2c1 ZINC000364830389 526121416 /nfs/dbraw/zinc/12/14/16/526121416.db2.gz LSIDGZUQBMWALA-UHFFFAOYSA-N 0 0 290.370 3.560 20 10 CHCDRN Oc1ccccc1CNc1ccccc1N1CCCC1 ZINC000036958647 526374182 /nfs/dbraw/zinc/37/41/82/526374182.db2.gz LXUOAXNFDYNHDD-UHFFFAOYSA-N 0 0 268.360 3.605 20 10 CHCDRN Cc1nc(C)c(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])s1 ZINC000276986692 526724373 /nfs/dbraw/zinc/72/43/73/526724373.db2.gz WRUCKRAOWUHRSE-ZETCQYMHSA-N 0 0 298.358 3.595 20 10 CHCDRN Cc1ncsc1COc1ccc(N2CCCC2)cc1 ZINC000289400683 527514685 /nfs/dbraw/zinc/51/46/85/527514685.db2.gz NZMLZBHXLVATLK-UHFFFAOYSA-N 0 0 274.389 3.631 20 10 CHCDRN CCC(CC)[N@H+](CCOC)Cc1cc(Cl)ccc1O ZINC000133483364 1125462203 /nfs/dbraw/zinc/46/22/03/1125462203.db2.gz DVGCBHQUKWEYNY-UHFFFAOYSA-N 0 0 285.815 3.683 20 10 CHCDRN CCOC[C@H]1CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000113923138 1125496703 /nfs/dbraw/zinc/49/67/03/1125496703.db2.gz BMZKDLRIRCWBKD-HNNXBMFYSA-N 0 0 299.414 3.794 20 10 CHCDRN CN(C)c1cc(CSc2ncc(Cl)s2)ccn1 ZINC000850000036 1123236114 /nfs/dbraw/zinc/23/61/14/1123236114.db2.gz HFYPWWUXRUUOIG-UHFFFAOYSA-N 0 0 285.825 3.550 20 10 CHCDRN CC(C)(C)CC(=O)CSc1ncc(Cl)s1 ZINC000850000256 1123236344 /nfs/dbraw/zinc/23/63/44/1123236344.db2.gz OAMJAUPEFWCLAP-UHFFFAOYSA-N 0 0 263.815 3.894 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1cscn1)c1ccc(F)cc1[O-] ZINC000850511828 1123278382 /nfs/dbraw/zinc/27/83/82/1123278382.db2.gz NYMSIYLOIVXHAS-SKDRFNHKSA-N 0 0 280.368 3.790 20 10 CHCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CC1(F)F ZINC000840967356 1132315947 /nfs/dbraw/zinc/31/59/47/1132315947.db2.gz FWAWHSUAXPMROK-MUWHJKNJSA-N 0 0 296.144 3.832 20 10 CHCDRN Cc1cc(C)c(CN2CCCC[C@H]2C(F)(F)F)c(O)c1 ZINC001231845688 1132379363 /nfs/dbraw/zinc/37/93/63/1132379363.db2.gz QCHGUEOTTWMNRA-AWEZNQCLSA-N 0 0 287.325 3.926 20 10 CHCDRN Cc1cccc(NC(=O)NCc2cccc(C)c2O)c1C ZINC001202709324 1125528214 /nfs/dbraw/zinc/52/82/14/1125528214.db2.gz BNSNBZBHQCRWKY-UHFFFAOYSA-N 0 0 284.359 3.639 20 10 CHCDRN CC(C)[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000215142595 1125562192 /nfs/dbraw/zinc/56/21/92/1125562192.db2.gz AYJOMQBPYVKITE-CABCVRRESA-N 0 0 275.396 3.605 20 10 CHCDRN CN(C(=O)CC[C@@H]1CCc2ccccc21)c1ccc(N)cc1 ZINC000884441713 1125565380 /nfs/dbraw/zinc/56/53/80/1125565380.db2.gz NUTSRFQLLGFOLO-HNNXBMFYSA-N 0 0 294.398 3.742 20 10 CHCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1nccs1 ZINC000135175387 1125579645 /nfs/dbraw/zinc/57/96/45/1125579645.db2.gz IXLUOFIATYNNHF-UHFFFAOYSA-N 0 0 296.342 3.697 20 10 CHCDRN CCOc1ccc(NCc2cc(C)ccc2O)cc1F ZINC000135309083 1125583505 /nfs/dbraw/zinc/58/35/05/1125583505.db2.gz PZSVTEORSRVFKC-UHFFFAOYSA-N 0 0 275.323 3.851 20 10 CHCDRN Cc1cccc(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841750805 1125582960 /nfs/dbraw/zinc/58/29/60/1125582960.db2.gz BPQYPYXEBILQQK-LBPRGKRZSA-N 0 0 290.794 3.642 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@H]1CCCOC1 ZINC000841755027 1125593856 /nfs/dbraw/zinc/59/38/56/1125593856.db2.gz XLNCJYKOLAKZNY-WOPDTQHZSA-N 0 0 283.799 3.511 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(Cl)cc1[O-] ZINC000841758909 1125600822 /nfs/dbraw/zinc/60/08/22/1125600822.db2.gz WDYBQUHMKUHBTH-GIFSMMMISA-N 0 0 265.784 3.885 20 10 CHCDRN CCOc1cccc(C[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886505147 1125681412 /nfs/dbraw/zinc/68/14/12/1125681412.db2.gz NHUJVOKUXDGKLC-GFCCVEGCSA-N 0 0 289.350 3.781 20 10 CHCDRN COc1cccc([C@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886507682 1125681441 /nfs/dbraw/zinc/68/14/41/1125681441.db2.gz VDCIQRXAMHRSAW-RYUDHWBXSA-N 0 0 289.350 3.952 20 10 CHCDRN COC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886547471 1125689225 /nfs/dbraw/zinc/68/92/25/1125689225.db2.gz LYQJWJPEUIVLCE-DOMZBBRYSA-N 0 0 289.350 3.570 20 10 CHCDRN C[C@H]([NH2+]CC1(CCO)CCCCC1)c1c([O-])cccc1F ZINC000886536085 1125685823 /nfs/dbraw/zinc/68/58/23/1125685823.db2.gz AFFIVOWKSVTSAX-ZDUSSCGKSA-N 0 0 295.398 3.515 20 10 CHCDRN C[C@@H]([NH2+]C1(c2ccccc2)CC1)c1c([O-])cccc1F ZINC000886572107 1125691594 /nfs/dbraw/zinc/69/15/94/1125691594.db2.gz YNDHQSGWZDVING-GFCCVEGCSA-N 0 0 271.335 3.871 20 10 CHCDRN CC[C@H](CC(F)(F)F)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886589998 1125693972 /nfs/dbraw/zinc/69/39/72/1125693972.db2.gz LIYHFOYGFAFUTQ-RKDXNWHRSA-N 0 0 279.277 3.913 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1c([O-])cccc1F ZINC000886605767 1125696771 /nfs/dbraw/zinc/69/67/71/1125696771.db2.gz YDPADUFDGCQDGM-VHSXEESVSA-N 0 0 273.298 3.617 20 10 CHCDRN C[C@H](N[C@@H](C)c1c(F)cncc1F)c1c(O)cccc1F ZINC000886609358 1125697104 /nfs/dbraw/zinc/69/71/04/1125697104.db2.gz REKCNZVCPNNRFZ-IUCAKERBSA-N 0 0 296.292 3.616 20 10 CHCDRN C[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)CC(F)(F)F ZINC000886625584 1125699717 /nfs/dbraw/zinc/69/97/17/1125699717.db2.gz VHTWNCROOSKYOO-IUCAKERBSA-N 0 0 279.277 3.770 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1c([O-])cccc1F ZINC000886638680 1125700572 /nfs/dbraw/zinc/70/05/72/1125700572.db2.gz ZPUMHDVHMQSFBF-BMIGLBTASA-N 0 0 287.334 3.575 20 10 CHCDRN C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1c([O-])cccc1F ZINC000886640382 1125701326 /nfs/dbraw/zinc/70/13/26/1125701326.db2.gz XXOMTEZLKCGDHZ-IUCAKERBSA-N 0 0 292.181 3.766 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1c([O-])cccc1F ZINC000886732584 1125714970 /nfs/dbraw/zinc/71/49/70/1125714970.db2.gz KQMMFUDFFKNFGQ-CHWSQXEVSA-N 0 0 293.382 3.531 20 10 CHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccoc1 ZINC000053305886 1125729387 /nfs/dbraw/zinc/72/93/87/1125729387.db2.gz ISHQSANRPBYOKX-UHFFFAOYSA-N 0 0 298.386 3.542 20 10 CHCDRN O=[N+]([O-])c1ccc(NCc2ccccc2O)c(C(F)F)c1 ZINC000228427435 1125785590 /nfs/dbraw/zinc/78/55/90/1125785590.db2.gz BNJKXBHFSMCBAS-UHFFFAOYSA-N 0 0 294.257 3.850 20 10 CHCDRN CCSCc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000743556943 1129529970 /nfs/dbraw/zinc/52/99/70/1129529970.db2.gz DZONXVXRGZSNRW-UHFFFAOYSA-N 0 0 293.413 3.959 20 10 CHCDRN CCOc1ccc(NCc2ccc(N(C)C)cc2)cc1F ZINC000159488136 1126743678 /nfs/dbraw/zinc/74/36/78/1126743678.db2.gz BXHJMQONSFDKPI-UHFFFAOYSA-N 0 0 288.366 3.903 20 10 CHCDRN COc1ccccc1[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158065275 1126745946 /nfs/dbraw/zinc/74/59/46/1126745946.db2.gz ZHSVSIGCQDMKLC-NSHDSACASA-N 0 0 291.778 3.905 20 10 CHCDRN COc1cc(N[C@H](C)c2ccc(F)cc2O)ccc1F ZINC000159954157 1126760936 /nfs/dbraw/zinc/76/09/36/1126760936.db2.gz JNCPWCBIOHNJQU-SECBINFHSA-N 0 0 279.286 3.852 20 10 CHCDRN C/C=C(\C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000176031633 1126787588 /nfs/dbraw/zinc/78/75/88/1126787588.db2.gz PXLCYVVLFUBWES-SYZQJQIISA-N 0 0 286.419 3.505 20 10 CHCDRN CC(C)COC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000179807521 1126834804 /nfs/dbraw/zinc/83/48/04/1126834804.db2.gz SLNYJLBWSHWRMV-UHFFFAOYSA-N 0 0 297.826 3.683 20 10 CHCDRN Cc1ccc(O)c(CNc2nnc(C3CCCCC3)o2)c1 ZINC000181632686 1126858331 /nfs/dbraw/zinc/85/83/31/1126858331.db2.gz ATLOATMUBCMPET-UHFFFAOYSA-N 0 0 287.363 3.743 20 10 CHCDRN C[C@H]([NH2+]CCCCC(F)(F)F)c1ccccc1O ZINC000148808150 1126863337 /nfs/dbraw/zinc/86/33/37/1126863337.db2.gz MBPYWIOKGNWOEY-JTQLQIEISA-N 0 0 261.287 3.775 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H](C)CC ZINC000189366958 1126931543 /nfs/dbraw/zinc/93/15/43/1126931543.db2.gz RBQPEZKXRNYHPA-ZDUSSCGKSA-N 0 0 263.381 3.567 20 10 CHCDRN CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000191634273 1126953607 /nfs/dbraw/zinc/95/36/07/1126953607.db2.gz DYGQLHZOOLZBRY-CIUDSAMLSA-N 0 0 292.206 3.773 20 10 CHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C(C)C ZINC000192943693 1126964929 /nfs/dbraw/zinc/96/49/29/1126964929.db2.gz HTEUNNQCFOPEHM-UHFFFAOYSA-N 0 0 276.405 3.636 20 10 CHCDRN C/C=C(\C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000267503626 1127001512 /nfs/dbraw/zinc/00/15/12/1127001512.db2.gz HVJATPWAWPZOPT-SYZQJQIISA-N 0 0 286.419 3.602 20 10 CHCDRN C[C@H](Nc1cccc(Cl)n1)c1ccc(N(C)C)cc1 ZINC000149780460 1127024370 /nfs/dbraw/zinc/02/43/70/1127024370.db2.gz WGWMYVZFFCRSFL-NSHDSACASA-N 0 0 275.783 3.974 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](C)C2)cc1 ZINC000028017940 1127043378 /nfs/dbraw/zinc/04/33/78/1127043378.db2.gz ZFWUOUSTVZPNNX-AWEZNQCLSA-N 0 0 296.414 3.966 20 10 CHCDRN C[C@H]([NH2+]Cc1ccc(Cl)o1)c1ccc(F)cc1[O-] ZINC000698085006 1127061994 /nfs/dbraw/zinc/06/19/94/1127061994.db2.gz JJKKWOPHIAEGBP-QMMMGPOBSA-N 0 0 269.703 3.629 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC000843820282 1127108333 /nfs/dbraw/zinc/10/83/33/1127108333.db2.gz QIVJOFIGGMJHNS-CVEARBPZSA-N 0 0 287.403 3.567 20 10 CHCDRN Oc1ccc(F)c(Cl)c1C[N@@H+]1CCCCC12CC2 ZINC001237130151 1131054736 /nfs/dbraw/zinc/05/47/36/1131054736.db2.gz KLPBCOUEAFLFGA-UHFFFAOYSA-N 0 0 269.747 3.703 20 10 CHCDRN CCOCCCSc1ncc(C(C)(C)C)s1 ZINC000164142757 1127154791 /nfs/dbraw/zinc/15/47/91/1127154791.db2.gz MWRIAERSFVQYBY-UHFFFAOYSA-N 0 0 259.440 3.959 20 10 CHCDRN CC[C@H]1CCC[N@@H+]1Cc1c(O)cccc1Br ZINC000707133853 1127206527 /nfs/dbraw/zinc/20/65/27/1127206527.db2.gz FNRZWGFLAXCTAJ-JTQLQIEISA-N 0 0 284.197 3.529 20 10 CHCDRN CC[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237800144 1131141245 /nfs/dbraw/zinc/14/12/45/1131141245.db2.gz XWWNTYBKYXVPNA-SNVBAGLBSA-N 0 0 271.763 3.807 20 10 CHCDRN CCC[N@@H+](Cc1cc(F)cc(Cl)c1[O-])CC1CC1 ZINC001237810662 1131141891 /nfs/dbraw/zinc/14/18/91/1131141891.db2.gz STWWZGKWJPEWEG-UHFFFAOYSA-N 0 0 271.763 3.807 20 10 CHCDRN CC[C@H]([NH2+]Cc1nc(C)cs1)c1ccc(F)cc1[O-] ZINC000285784583 1127243187 /nfs/dbraw/zinc/24/31/87/1127243187.db2.gz UJVHWUNGEOSUAK-LBPRGKRZSA-N 0 0 280.368 3.537 20 10 CHCDRN CC[C@H]([NH2+]Cc1sc(C)nc1C)c1ccc(F)cc1[O-] ZINC000285975250 1127250386 /nfs/dbraw/zinc/25/03/86/1127250386.db2.gz HJMLHFNHPTZAMK-ZDUSSCGKSA-N 0 0 294.395 3.846 20 10 CHCDRN CC[C@H]([NH2+]CC[C@H]1CCO[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000286002752 1127253100 /nfs/dbraw/zinc/25/31/00/1127253100.db2.gz HRBRAKOTHIYCRK-XEZPLFJOSA-N 0 0 295.398 3.777 20 10 CHCDRN CC[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000224316492 1127258440 /nfs/dbraw/zinc/25/84/40/1127258440.db2.gz SGTUSJFBOLSAOL-KAMXEHQASA-N 0 0 298.338 3.806 20 10 CHCDRN CC[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000286107466 1127258605 /nfs/dbraw/zinc/25/86/05/1127258605.db2.gz MYRTWMXECQMXCG-DZGCQCFKSA-N 0 0 281.371 3.531 20 10 CHCDRN CC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000286166519 1127262067 /nfs/dbraw/zinc/26/20/67/1127262067.db2.gz PQEXDFHJZTXYSB-GXTWGEPZSA-N 0 0 281.371 3.530 20 10 CHCDRN CC[C@H]([NH2+]CCCCOC(C)C)c1ccc(F)cc1[O-] ZINC000286211176 1127262643 /nfs/dbraw/zinc/26/26/43/1127262643.db2.gz RUNGWMKOPPVXEW-HNNXBMFYSA-N 0 0 283.387 3.777 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(F)c(F)c1[O-] ZINC000287065807 1127285740 /nfs/dbraw/zinc/28/57/40/1127285740.db2.gz NUVQMRVHNMOUCU-LDYMZIIASA-N 0 0 255.308 3.510 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1cccc(Cl)c1[O-] ZINC000287201966 1127296637 /nfs/dbraw/zinc/29/66/37/1127296637.db2.gz WJLWNGDNUYFXGG-HUBLWGQQSA-N 0 0 297.826 3.759 20 10 CHCDRN CC[C@H]([NH2+][C@H](COC)C1CC1)c1cccc(Cl)c1[O-] ZINC000287285814 1127299680 /nfs/dbraw/zinc/29/96/80/1127299680.db2.gz BSPMSFCFMQNRET-UONOGXRCSA-N 0 0 283.799 3.511 20 10 CHCDRN Cc1ccc([C@@H](C)N[C@@H](C2CC2)C(F)(F)F)c(O)c1 ZINC000287457597 1127306448 /nfs/dbraw/zinc/30/64/48/1127306448.db2.gz VNZHQVCGUKPKIL-RNCFNFMXSA-N 0 0 273.298 3.692 20 10 CHCDRN CO[C@@H]1Cc2ccc(N[C@H](C)c3ccccc3O)cc2C1 ZINC000760889041 1127316518 /nfs/dbraw/zinc/31/65/18/1127316518.db2.gz UKMGBGQXNAPICW-MLGOLLRUSA-N 0 0 283.371 3.679 20 10 CHCDRN CC[C@@H]([NH2+]CC(O)(CC)CC)c1cccc(Cl)c1[O-] ZINC000287733364 1127312576 /nfs/dbraw/zinc/31/25/76/1127312576.db2.gz PGDJMJIUUWEITB-CYBMUJFWSA-N 0 0 285.815 3.637 20 10 CHCDRN CC[C@H]([NH2+]C[C@H]1CCCCO1)c1cccc(Cl)c1[O-] ZINC000287697965 1127312883 /nfs/dbraw/zinc/31/28/83/1127312883.db2.gz NNJJVFPDCWVNRD-RISCZKNCSA-N 0 0 283.799 3.655 20 10 CHCDRN CC[C@H]([NH2+]CCOCC1CC1)c1cccc(Cl)c1[O-] ZINC000287762470 1127313457 /nfs/dbraw/zinc/31/34/57/1127313457.db2.gz QYKXLNAJVBWWJC-AWEZNQCLSA-N 0 0 283.799 3.513 20 10 CHCDRN CCC[C@@H](CCO)C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287886565 1127314634 /nfs/dbraw/zinc/31/46/34/1127314634.db2.gz YSRYBDSYGGPCBZ-WFASDCNBSA-N 0 0 299.842 3.885 20 10 CHCDRN CO[C@@H]1Cc2ccc(N[C@@H](C)c3ccccc3O)cc2C1 ZINC000760889037 1127316611 /nfs/dbraw/zinc/31/66/11/1127316611.db2.gz UKMGBGQXNAPICW-BLLLJJGKSA-N 0 0 283.371 3.679 20 10 CHCDRN CN(C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(N)cc1 ZINC000167501210 1127363604 /nfs/dbraw/zinc/36/36/04/1127363604.db2.gz CVRMWHGIKQVOHG-RRFJBIMHSA-N 0 0 286.419 3.838 20 10 CHCDRN Nc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000167495281 1127363839 /nfs/dbraw/zinc/36/38/39/1127363839.db2.gz DGABBGKINZMJCI-BFHYXJOUSA-N 0 0 272.392 3.814 20 10 CHCDRN CC(=O)C(=O)CSc1ccc(Cl)c(C(F)(F)F)c1 ZINC000288827293 1127365088 /nfs/dbraw/zinc/36/50/88/1127365088.db2.gz ITPPDJVGAQDBGX-UHFFFAOYSA-N 0 0 296.697 3.609 20 10 CHCDRN Oc1ccc(F)cc1CNc1ccc(OC(F)F)cc1 ZINC000226580570 1127411500 /nfs/dbraw/zinc/41/15/00/1127411500.db2.gz MEKQJBNZUSBNPI-UHFFFAOYSA-N 0 0 283.249 3.745 20 10 CHCDRN Oc1ccc(F)cc1CNc1ccc2ncsc2c1 ZINC000226620701 1127413361 /nfs/dbraw/zinc/41/33/61/1127413361.db2.gz DPDIJCQUQHEPMR-UHFFFAOYSA-N 0 0 274.320 3.753 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCCc2ccccc2C1 ZINC000158031823 1127415892 /nfs/dbraw/zinc/41/58/92/1127415892.db2.gz LHLYKEITKQRLCR-UHFFFAOYSA-N 0 0 287.790 3.994 20 10 CHCDRN Cc1nc2cc(NCc3cccc(C)c3O)ccc2o1 ZINC000158116251 1127451963 /nfs/dbraw/zinc/45/19/63/1127451963.db2.gz HDGBHFRAEOZNGA-UHFFFAOYSA-N 0 0 268.316 3.762 20 10 CHCDRN C[C@H]1[C@@H](C)[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C[C@H]1C ZINC001308826186 1127498264 /nfs/dbraw/zinc/49/82/64/1127498264.db2.gz UTIAKTMPTBTGRI-OPRDCNLKSA-N 0 0 271.763 3.661 20 10 CHCDRN COc1ccc(O)c(CNc2cccc(OC(C)C)c2)c1 ZINC000294962381 1127610850 /nfs/dbraw/zinc/61/08/50/1127610850.db2.gz IIELMFBASYUFCH-UHFFFAOYSA-N 0 0 287.359 3.800 20 10 CHCDRN COC(=O)c1cnc(SCCCCC(F)(F)F)s1 ZINC000295391984 1127640728 /nfs/dbraw/zinc/64/07/28/1127640728.db2.gz VGECOMGXRYNOCB-UHFFFAOYSA-N 0 0 299.339 3.754 20 10 CHCDRN CN(C)c1ccc(CNc2ccc(C(F)(F)F)cn2)cc1 ZINC000061173812 1127660334 /nfs/dbraw/zinc/66/03/34/1127660334.db2.gz JIGCZNTWBGMUJA-UHFFFAOYSA-N 0 0 295.308 3.779 20 10 CHCDRN Cc1cc(N[C@H]2CCc3cccc(O)c32)ccc1N(C)C ZINC000296618214 1127678405 /nfs/dbraw/zinc/67/84/05/1127678405.db2.gz YZQGKMFDGVVQNW-HNNXBMFYSA-N 0 0 282.387 3.866 20 10 CHCDRN C[C@@H]([NH2+]CCCc1ccccc1)c1ccc(F)cc1[O-] ZINC000062744997 1127772574 /nfs/dbraw/zinc/77/25/74/1127772574.db2.gz QLMUCEYOAJXSQG-CYBMUJFWSA-N 0 0 273.351 3.815 20 10 CHCDRN CC(=O)Nc1cccc(N[C@@H](C)c2ccc(F)cc2O)c1 ZINC000062744844 1127772626 /nfs/dbraw/zinc/77/26/26/1127772626.db2.gz OFRHBJZQRKKAIW-JTQLQIEISA-N 0 0 288.322 3.663 20 10 CHCDRN C[C@H]([NH2+]CCc1ccccc1F)c1ccc(F)cc1[O-] ZINC000062744820 1127772194 /nfs/dbraw/zinc/77/21/94/1127772194.db2.gz ZWSISWKARCTUSZ-NSHDSACASA-N 0 0 277.314 3.564 20 10 CHCDRN C[C@@H]([NH2+]C1CCCCCC1)c1ccc(F)cc1[O-] ZINC000062744995 1127772249 /nfs/dbraw/zinc/77/22/49/1127772249.db2.gz LVAHQWKPZZFHPD-LLVKDONJSA-N 0 0 251.345 3.905 20 10 CHCDRN COc1ccccc1N[C@@H](C)c1ccc(F)cc1O ZINC000062744736 1127772434 /nfs/dbraw/zinc/77/24/34/1127772434.db2.gz IEAXVQIMMPOLNL-JTQLQIEISA-N 0 0 261.296 3.713 20 10 CHCDRN C[C@H]([NH2+]CCCOC1CCCCC1)c1ccc(F)cc1[O-] ZINC000062745328 1127773231 /nfs/dbraw/zinc/77/32/31/1127773231.db2.gz WXQLZOTTXIXDNR-ZDUSSCGKSA-N 0 0 295.398 3.921 20 10 CHCDRN COc1cc(F)ccc1N[C@H](C)c1ccc(F)cc1O ZINC000062748272 1127773908 /nfs/dbraw/zinc/77/39/08/1127773908.db2.gz VKUDSDWHVNCTMB-SECBINFHSA-N 0 0 279.286 3.852 20 10 CHCDRN C[C@H]1C[N@H+](Cc2ccccc2O)[C@H]1c1ccccc1 ZINC000245585647 1128042246 /nfs/dbraw/zinc/04/22/46/1128042246.db2.gz DKAZEJLOWUVRGO-SUMWQHHRSA-N 0 0 253.345 3.585 20 10 CHCDRN CCCCCc1nnc(NCc2cc(C)ccc2O)s1 ZINC000777507846 1128096068 /nfs/dbraw/zinc/09/60/68/1128096068.db2.gz GSEUNALNUWDEDE-UHFFFAOYSA-N 0 0 291.420 3.897 20 10 CHCDRN Cc1cc(-c2nc(C3CCC3)no2)c(C)n1-c1ccccn1 ZINC000761644183 1128182192 /nfs/dbraw/zinc/18/21/92/1128182192.db2.gz SWORWCASMOXYQV-UHFFFAOYSA-N 0 0 294.358 3.807 20 10 CHCDRN CCN(C(=O)/C=C/c1cccnc1)c1cccc(C)c1C ZINC000914528922 1128204967 /nfs/dbraw/zinc/20/49/67/1128204967.db2.gz HQZKAFQXFHOCET-ZHACJKMWSA-N 0 0 280.371 3.765 20 10 CHCDRN Cc1cc(F)c(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c(F)c1 ZINC000927095308 1128216301 /nfs/dbraw/zinc/21/63/01/1128216301.db2.gz ZSRWKOHQTVYPKG-JTQLQIEISA-N 0 0 295.304 3.969 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)c1c([O-])cccc1F ZINC000927100881 1128217289 /nfs/dbraw/zinc/21/72/89/1128217289.db2.gz VEYCDXOPPPEORI-NWDGAFQWSA-N 0 0 295.398 3.776 20 10 CHCDRN Cc1cc(C(=O)NCCC(C)(C)C)c(C)n1-c1ccccn1 ZINC000915197549 1128290394 /nfs/dbraw/zinc/29/03/94/1128290394.db2.gz XCOZFGWIUJLYFS-UHFFFAOYSA-N 0 0 299.418 3.655 20 10 CHCDRN Cc1ccc(/C=C\C(=O)N(CC2CC2)c2ccccc2)cn1 ZINC000777868454 1128298816 /nfs/dbraw/zinc/29/88/16/1128298816.db2.gz WOICNQHZJKEVOJ-QXMHVHEDSA-N 0 0 292.382 3.846 20 10 CHCDRN CCN(CC)c1ccc(CNc2ccc(C3CC3)nn2)cc1 ZINC000762653406 1128313323 /nfs/dbraw/zinc/31/33/23/1128313323.db2.gz YAXRJVVMBJSRPX-UHFFFAOYSA-N 0 0 296.418 3.812 20 10 CHCDRN CCC1(CNC(=O)C2=CC(=O)CS2)CCCCC1 ZINC000762819181 1128319402 /nfs/dbraw/zinc/31/94/02/1128319402.db2.gz YEEBMLLBTZDUHS-UHFFFAOYSA-N 0 0 267.394 3.544 20 10 CHCDRN CCC1(CNC(=O)NCc2ccccc2O)CCCCC1 ZINC000763028673 1128346921 /nfs/dbraw/zinc/34/69/21/1128346921.db2.gz JGSAIISVRPKBDJ-UHFFFAOYSA-N 0 0 290.407 3.552 20 10 CHCDRN Cc1ccnc(NCc2ccc(N(C)C)cc2)c1Cl ZINC000763207794 1128376318 /nfs/dbraw/zinc/37/63/18/1128376318.db2.gz YYDDDAGFSXKBBL-UHFFFAOYSA-N 0 0 275.783 3.722 20 10 CHCDRN c1cc(COc2ccc(N3CCCC3)cc2)cc2c1COC2 ZINC000778031512 1128382750 /nfs/dbraw/zinc/38/27/50/1128382750.db2.gz CUUJQRUARPKLQM-UHFFFAOYSA-N 0 0 295.382 3.896 20 10 CHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2c(C)cccc2C)c1 ZINC000153887604 1128410658 /nfs/dbraw/zinc/41/06/58/1128410658.db2.gz CWHKPOMEUIAXBF-CYBMUJFWSA-N 0 0 299.370 3.509 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)CC2CCCC2)cc1 ZINC000916502462 1128422193 /nfs/dbraw/zinc/42/21/93/1128422193.db2.gz FZVCXGMJBBHHPZ-UHFFFAOYSA-N 0 0 288.435 3.729 20 10 CHCDRN COc1ccc2c(c1)CCCN2Cc1ccc(Cl)cn1 ZINC000778212366 1128449603 /nfs/dbraw/zinc/44/96/03/1128449603.db2.gz LGRZKXWSRZYTMS-UHFFFAOYSA-N 0 0 288.778 3.696 20 10 CHCDRN Cc1ccncc1NCc1cc(Cl)c2cccnc2c1O ZINC001168521794 1128457922 /nfs/dbraw/zinc/45/79/22/1128457922.db2.gz KRNQQBGKGGGQJU-UHFFFAOYSA-N 0 0 299.761 3.909 20 10 CHCDRN CCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)C(C)C ZINC000917826030 1128522618 /nfs/dbraw/zinc/52/26/18/1128522618.db2.gz NQUMGGPSFFRQCH-UHFFFAOYSA-N 0 0 284.403 3.965 20 10 CHCDRN COc1ccc(N(Cc2oc(C)nc2C)CC2CC2)cc1 ZINC000831588020 1128559064 /nfs/dbraw/zinc/55/90/64/1128559064.db2.gz RILRJXWIWOPBFS-UHFFFAOYSA-N 0 0 286.375 3.717 20 10 CHCDRN Cc1c(F)cccc1NCc1ccc(N(C)C)cc1 ZINC000043319336 1128602082 /nfs/dbraw/zinc/60/20/82/1128602082.db2.gz SILCGFZXXSTYGM-UHFFFAOYSA-N 0 0 258.340 3.812 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(Cl)cc1 ZINC000045827153 1128653159 /nfs/dbraw/zinc/65/31/59/1128653159.db2.gz XKCZDEOCBKRJDX-UHFFFAOYSA-N 0 0 290.750 3.710 20 10 CHCDRN Cc1cc(C(=O)OC2CCCC2)c(C)n1-c1ccccn1 ZINC000920124517 1128665721 /nfs/dbraw/zinc/66/57/21/1128665721.db2.gz YRRJQRYPNMVXJW-UHFFFAOYSA-N 0 0 284.359 3.589 20 10 CHCDRN CCCC[C@@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000050887916 1128662774 /nfs/dbraw/zinc/66/27/74/1128662774.db2.gz VHGXRWDSZDENPM-SNVBAGLBSA-N 0 0 286.213 3.823 20 10 CHCDRN C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(F)ccc1O ZINC000779018421 1128681912 /nfs/dbraw/zinc/68/19/12/1128681912.db2.gz LORPYQJJBZEUJC-TYNCELHUSA-N 0 0 263.356 3.684 20 10 CHCDRN C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(F)ccc1O ZINC000779018417 1128682042 /nfs/dbraw/zinc/68/20/42/1128682042.db2.gz LORPYQJJBZEUJC-JMSVASOKSA-N 0 0 263.356 3.684 20 10 CHCDRN C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(F)ccc1O ZINC000779018419 1128682082 /nfs/dbraw/zinc/68/20/82/1128682082.db2.gz LORPYQJJBZEUJC-LALPHHSUSA-N 0 0 263.356 3.684 20 10 CHCDRN C[C@H]1C[N@H+](Cc2cc(F)ccc2O)[C@@H]1c1ccccc1 ZINC000779034654 1128691708 /nfs/dbraw/zinc/69/17/08/1128691708.db2.gz ZEMIKUJOUFPOHF-SJCJKPOMSA-N 0 0 271.335 3.724 20 10 CHCDRN CC(C)OCCSc1ncc(-c2ccccc2)n1C ZINC000048397766 1128705544 /nfs/dbraw/zinc/70/55/44/1128705544.db2.gz GRQIGBJADMLNTJ-UHFFFAOYSA-N 0 0 276.405 3.604 20 10 CHCDRN CCC[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000179523319 1128746300 /nfs/dbraw/zinc/74/63/00/1128746300.db2.gz ZFDNJLNTHZYCPV-AWEZNQCLSA-N 0 0 263.381 3.555 20 10 CHCDRN Oc1ccccc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000037075099 1117963503 /nfs/dbraw/zinc/96/35/03/1117963503.db2.gz WNDKJASAJUSGRJ-KRWDZBQOSA-N 0 0 253.345 3.633 20 10 CHCDRN CC[C@H](C)[C@@H](C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000471242416 1118021178 /nfs/dbraw/zinc/02/11/78/1118021178.db2.gz IRHDHSOYTZKPGT-QWHCGFSZSA-N 0 0 286.419 3.785 20 10 CHCDRN O=C(C=C1CCCCC1)NCc1cccc(Cl)c1O ZINC000890758331 1118075307 /nfs/dbraw/zinc/07/53/07/1118075307.db2.gz VWRKRRMJOPAFCW-UHFFFAOYSA-N 0 0 279.767 3.552 20 10 CHCDRN CC(C(=O)NCc1cccc(Cl)c1O)=C1CCCC1 ZINC000890760584 1118076301 /nfs/dbraw/zinc/07/63/01/1118076301.db2.gz UHNIRRULKOAEPC-UHFFFAOYSA-N 0 0 279.767 3.552 20 10 CHCDRN CCC1(C(=O)NCc2cccc(Cl)c2O)CCCC1 ZINC000890760411 1118077149 /nfs/dbraw/zinc/07/71/49/1118077149.db2.gz REZRAJKVLXRPOD-UHFFFAOYSA-N 0 0 281.783 3.632 20 10 CHCDRN CCc1ccc(O)c(Nc2ccc3c(c2)OCCN3)c1 ZINC001209766497 1118088491 /nfs/dbraw/zinc/08/84/91/1118088491.db2.gz QHFOEHUGEQTWGQ-UHFFFAOYSA-N 0 0 270.332 3.503 20 10 CHCDRN Clc1cnc(Sc2n[nH]c(-c3ccccc3)n2)s1 ZINC000764999199 1118129536 /nfs/dbraw/zinc/12/95/36/1118129536.db2.gz AFTOQFDBJOLVCG-UHFFFAOYSA-N 0 0 294.792 3.733 20 10 CHCDRN Oc1ccc(F)cc1CN1CCc2[nH]c3ccccc3c2C1 ZINC000179896455 1128764399 /nfs/dbraw/zinc/76/43/99/1128764399.db2.gz QBVFGXYALKMNJX-UHFFFAOYSA-N 0 0 296.345 3.571 20 10 CHCDRN Cc1cnc(COc2ccc(N3CCCC3)cc2)s1 ZINC000179914082 1128765956 /nfs/dbraw/zinc/76/59/56/1128765956.db2.gz OLWWEGAKKCFGLX-UHFFFAOYSA-N 0 0 274.389 3.631 20 10 CHCDRN CCCCc1ccc(-c2noc(-c3csnn3)n2)cc1 ZINC001212362105 1118265826 /nfs/dbraw/zinc/26/58/26/1118265826.db2.gz MZQOKCOKSQMKTM-UHFFFAOYSA-N 0 0 286.360 3.598 20 10 CHCDRN Clc1ccc(-c2noc(-c3csnn3)n2)cc1Cl ZINC001212362381 1118266048 /nfs/dbraw/zinc/26/60/48/1118266048.db2.gz QRFCQNJFYCPEAQ-UHFFFAOYSA-N 0 0 299.142 3.562 20 10 CHCDRN C[C@H](Nc1cccc(CCCO)c1)c1ccc(N(C)C)cc1 ZINC000317288250 1118289520 /nfs/dbraw/zinc/28/95/20/1118289520.db2.gz YCZTUCJQSPQISE-HNNXBMFYSA-N 0 0 298.430 3.851 20 10 CHCDRN C[C@@]1(C(=O)Nc2ccc(N)cc2)CCCc2ccccc21 ZINC000160338512 1118302664 /nfs/dbraw/zinc/30/26/64/1118302664.db2.gz ZEQIHJUYXNONNY-GOSISDBHSA-N 0 0 280.371 3.502 20 10 CHCDRN Nc1ccc(N(c2ccccc2)c2c[nH]c(=O)c(F)c2)cc1 ZINC001210602940 1118347224 /nfs/dbraw/zinc/34/72/24/1118347224.db2.gz ZOBWHIKWOBICFJ-UHFFFAOYSA-N 0 0 295.317 3.978 20 10 CHCDRN CCCCC[C@@H](C)CC(=O)NCc1cccc(OC)c1O ZINC000175928632 1118419470 /nfs/dbraw/zinc/41/94/70/1118419470.db2.gz CLPZJNDWKRDMPX-CYBMUJFWSA-N 0 0 293.407 3.624 20 10 CHCDRN Cc1ncc(/C=C\C(=O)N2C[C@H](C)c3ccccc32)s1 ZINC000255270414 1118541927 /nfs/dbraw/zinc/54/19/27/1118541927.db2.gz UOLWMLKUVGYXPM-TVRMLOFPSA-N 0 0 284.384 3.615 20 10 CHCDRN C[C@H]([NH2+]CC(C)(C)C1(O)CCCC1)c1ccc(F)cc1[O-] ZINC000834907240 1118624540 /nfs/dbraw/zinc/62/45/40/1118624540.db2.gz ZIOCVZHZWGNEGA-LBPRGKRZSA-N 0 0 295.398 3.513 20 10 CHCDRN C[N@H+](Cc1c(O)cccc1Br)C1CCCCC1 ZINC000707145004 1118647796 /nfs/dbraw/zinc/64/77/96/1118647796.db2.gz DGWWJFIIYGEKIQ-UHFFFAOYSA-N 0 0 298.224 3.919 20 10 CHCDRN C[C@@H](NC(=O)/C=C\C1CCCC1)c1ccc(N(C)C)cc1 ZINC000843581730 1118742159 /nfs/dbraw/zinc/74/21/59/1118742159.db2.gz VAKZOZYHOURYTD-YLHGKKIISA-N 0 0 286.419 3.676 20 10 CHCDRN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)c1O ZINC000252873733 1118847926 /nfs/dbraw/zinc/84/79/26/1118847926.db2.gz VQVWJFITFULGKA-JTNHKYCSSA-N 0 0 297.826 3.969 20 10 CHCDRN CC[C@H]1CN(Cc2ccc(N(C)C)cc2)c2ccccc2O1 ZINC001167512011 1118976314 /nfs/dbraw/zinc/97/63/14/1118976314.db2.gz HCDHJYKSCBXXPJ-KRWDZBQOSA-N 0 0 296.414 3.930 20 10 CHCDRN CCOC[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000044688699 1119058467 /nfs/dbraw/zinc/05/84/67/1119058467.db2.gz BCMSXMJWMBZVSL-QWHCGFSZSA-N 0 0 273.376 3.621 20 10 CHCDRN CC[NH+](CC)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708132111 1119224704 /nfs/dbraw/zinc/22/47/04/1119224704.db2.gz AZJZHGARUSRCBS-UHFFFAOYSA-N 0 0 292.604 3.650 20 10 CHCDRN Oc1ccc(Cl)cc1CNc1cnc2c(c1)CCCC2 ZINC000782381397 1119272860 /nfs/dbraw/zinc/27/28/60/1119272860.db2.gz QWMTWCDJSOFXRE-UHFFFAOYSA-N 0 0 288.778 3.932 20 10 CHCDRN CC(C)(C)[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708401471 1119437448 /nfs/dbraw/zinc/43/74/48/1119437448.db2.gz TWFVUBLVWHQVNF-NSHDSACASA-N 0 0 269.335 3.538 20 10 CHCDRN CCCCC[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708434915 1119453105 /nfs/dbraw/zinc/45/31/05/1119453105.db2.gz AKWUFTHPDSIYJX-SNVBAGLBSA-N 0 0 257.324 3.729 20 10 CHCDRN Cc1ccccc1C(C)(C)C(=O)N(C)Cc1ccccc1O ZINC000178084318 1119912204 /nfs/dbraw/zinc/91/22/04/1119912204.db2.gz DQXVYUKAEYBQLS-UHFFFAOYSA-N 0 0 297.398 3.637 20 10 CHCDRN C[C@H](NCC(F)(F)C(C)(C)C)c1ccccc1O ZINC000850571948 1119983847 /nfs/dbraw/zinc/98/38/47/1119983847.db2.gz FTHLUNXYRAQHQX-JTQLQIEISA-N 0 0 257.324 3.724 20 10 CHCDRN C[C@H](CC1CCCCC1)NC(=O)Nc1ccc(N)cc1 ZINC000694718364 1120023621 /nfs/dbraw/zinc/02/36/21/1120023621.db2.gz FALPNVMFNCSAJG-GFCCVEGCSA-N 0 0 275.396 3.749 20 10 CHCDRN Cc1oncc1-c1csc(-c2ccc(N(C)C)cc2)n1 ZINC000190879612 1128887867 /nfs/dbraw/zinc/88/78/67/1128887867.db2.gz CETCXWJPEUKWJT-UHFFFAOYSA-N 0 0 285.372 3.840 20 10 CHCDRN Nc1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000110408811 1120108257 /nfs/dbraw/zinc/10/82/57/1120108257.db2.gz BOCOPBDTQRKECN-ZJUUUORDSA-N 0 0 286.297 3.576 20 10 CHCDRN [O-]c1cc(Cl)c(Cl)cc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC001236793269 1128892698 /nfs/dbraw/zinc/89/26/98/1128892698.db2.gz JTPYKAHXMHKBMA-NXEZZACHSA-N 0 0 286.202 3.931 20 10 CHCDRN Nc1ccc(Nc2ccc(OC(F)F)cc2)cc1 ZINC000036905623 1120150703 /nfs/dbraw/zinc/15/07/03/1120150703.db2.gz UMQRIPMHZAHUCZ-UHFFFAOYSA-N 0 0 250.248 3.614 20 10 CHCDRN CCCCC[C@H](NC(=O)Cc1ccc(N)cc1)C(C)(C)C ZINC000236650761 1120153717 /nfs/dbraw/zinc/15/37/17/1120153717.db2.gz VYVQENNECUXWTH-INIZCTEOSA-N 0 0 290.451 3.923 20 10 CHCDRN CNc1ccccc1N[C@H]1CCNc2ccccc21 ZINC001168649730 1120165422 /nfs/dbraw/zinc/16/54/22/1120165422.db2.gz OYNFUXQZIIFDQF-AWEZNQCLSA-N 0 0 253.349 3.697 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCC(C)(C)C ZINC000078132673 1128901944 /nfs/dbraw/zinc/90/19/44/1128901944.db2.gz MWIHRTAZEHLBQM-UHFFFAOYSA-N 0 0 276.424 3.504 20 10 CHCDRN Nc1ccc(Nc2cc(F)c(OC(F)F)c(F)c2)cc1 ZINC001212452244 1120302531 /nfs/dbraw/zinc/30/25/31/1120302531.db2.gz SVJFEDUZFBEZAA-UHFFFAOYSA-N 0 0 286.228 3.892 20 10 CHCDRN C[C@H]([NH2+]CCO[C@H]1CCCC[C@H]1C)c1ccc(F)cc1[O-] ZINC000756443668 1120350222 /nfs/dbraw/zinc/35/02/22/1120350222.db2.gz TZXQCIPKWJCUDK-IGCXYCKISA-N 0 0 295.398 3.777 20 10 CHCDRN CC1(C)CCC(CNC(=O)Nc2ccc(N)cc2)CC1 ZINC000312328690 1120384880 /nfs/dbraw/zinc/38/48/80/1120384880.db2.gz ABBOPWGPPSRAQC-UHFFFAOYSA-N 0 0 275.396 3.607 20 10 CHCDRN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)c2ccccn2)c(O)c1 ZINC000692692150 1120488179 /nfs/dbraw/zinc/48/81/79/1120488179.db2.gz QIHTVERSFCESMH-KGLIPLIRSA-N 0 0 270.376 3.550 20 10 CHCDRN CCCCOc1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000319272283 1120519477 /nfs/dbraw/zinc/51/94/77/1120519477.db2.gz LROPJVWBFJAUOG-UHFFFAOYSA-N 0 0 299.370 3.501 20 10 CHCDRN CC[C@H]([NH2+]Cc1ccc(OC)cc1)c1ccccc1O ZINC000019909220 1120544938 /nfs/dbraw/zinc/54/49/38/1120544938.db2.gz KLQMSXJLRZKYRJ-INIZCTEOSA-N 0 0 271.360 3.642 20 10 CHCDRN COc1ccc(N[C@@H](C)c2ccc(C)cc2O)cc1 ZINC000020092869 1120583469 /nfs/dbraw/zinc/58/34/69/1120583469.db2.gz CXOYEIHSDVCFFH-LBPRGKRZSA-N 0 0 257.333 3.882 20 10 CHCDRN CC[C@@H]([NH2+]CCCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000194218686 1120595340 /nfs/dbraw/zinc/59/53/40/1120595340.db2.gz UQIUWXYUWIWRFN-LLVKDONJSA-N 0 0 292.206 3.512 20 10 CHCDRN CC1(C)C[C@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000124216328 1120652615 /nfs/dbraw/zinc/65/26/15/1120652615.db2.gz OCXKSJFAUOSVCE-HNNXBMFYSA-N 0 0 299.370 3.560 20 10 CHCDRN CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000186834463 1120676162 /nfs/dbraw/zinc/67/61/62/1120676162.db2.gz WGWKPUSFSHZRQJ-NUTKFTJISA-N 0 0 295.398 3.776 20 10 CHCDRN Cc1nnc([C@@H](C)Sc2ncc(C(C)(C)C)s2)o1 ZINC000164311130 1120727207 /nfs/dbraw/zinc/72/72/07/1120727207.db2.gz FDBAXDHWUUUWFP-SSDOTTSWSA-N 0 0 283.422 3.985 20 10 CHCDRN Cc1cccnc1CN(C)c1ccc(OC(C)C)cc1 ZINC000759934538 1120902913 /nfs/dbraw/zinc/90/29/13/1120902913.db2.gz XUIGAUXFFBCRTF-UHFFFAOYSA-N 0 0 270.376 3.814 20 10 CHCDRN CCN(C(=O)/C=C/c1cncc(C)c1)c1cccc(F)c1 ZINC000178493730 1120947992 /nfs/dbraw/zinc/94/79/92/1120947992.db2.gz HXIQGKZZOPQISJ-BQYQJAHWSA-N 0 0 284.334 3.595 20 10 CHCDRN Oc1ccccc1CNc1ccc(N2CCCCC2)cc1 ZINC000057707897 1120998848 /nfs/dbraw/zinc/99/88/48/1120998848.db2.gz LLMOOUUJDOKOPK-UHFFFAOYSA-N 0 0 282.387 3.995 20 10 CHCDRN C[C@@H](Nc1cccc(CCCO)c1)c1ccc(N(C)C)cc1 ZINC000317288254 1121005287 /nfs/dbraw/zinc/00/52/87/1121005287.db2.gz YCZTUCJQSPQISE-OAHLLOKOSA-N 0 0 298.430 3.851 20 10 CHCDRN Cc1cnc(CNC(=S)Nc2cc(C)cc(C)c2)c(C)c1 ZINC000243075711 1128956344 /nfs/dbraw/zinc/95/63/44/1128956344.db2.gz INTOJFDZQPIYPU-UHFFFAOYSA-N 0 0 299.443 3.802 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@H](C)SC ZINC000282500098 1121034868 /nfs/dbraw/zinc/03/48/68/1121034868.db2.gz NKDQCIBHMFAVQB-ZDUSSCGKSA-N 0 0 295.448 3.663 20 10 CHCDRN CCCCCC[C@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779494270 1128960781 /nfs/dbraw/zinc/96/07/81/1128960781.db2.gz VTPNVMAPMUBYNP-STRFDMGBSA-N 0 0 291.391 3.586 20 10 CHCDRN CCCCc1ccc(N(CCO)c2ccc(N)cc2)cc1 ZINC001175030602 1121150718 /nfs/dbraw/zinc/15/07/18/1121150718.db2.gz GRWKPDWSVLFVOR-UHFFFAOYSA-N 0 0 284.403 3.742 20 10 CHCDRN Cc1ncsc1CN(C)c1ccc(OC(C)C)cc1 ZINC000192037097 1128967434 /nfs/dbraw/zinc/96/74/34/1128967434.db2.gz SGDKXIYUKWQUKV-UHFFFAOYSA-N 0 0 276.405 3.875 20 10 CHCDRN Nc1ccc(Nc2cccc(O[C@@H]3CCCCO3)c2)cc1 ZINC001175186747 1121221220 /nfs/dbraw/zinc/22/12/20/1121221220.db2.gz JETVTZCAGJMHSJ-QGZVFWFLSA-N 0 0 284.359 3.918 20 10 CHCDRN Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703257237 1121242841 /nfs/dbraw/zinc/24/28/41/1121242841.db2.gz NTNYBEUIDOHUJR-NSHDSACASA-N 0 0 277.314 3.830 20 10 CHCDRN C[C@H]1CC(C[NH2+]Cc2ccc(F)c(F)c2[O-])C[C@H](C)C1 ZINC000703326043 1121244906 /nfs/dbraw/zinc/24/49/06/1121244906.db2.gz AYIMPBRXBZVEDC-GHMZBOCLSA-N 0 0 283.362 3.832 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCc2occc21 ZINC000124701970 1121318152 /nfs/dbraw/zinc/31/81/52/1121318152.db2.gz RRHWQUOWHZVJPH-ZDUSSCGKSA-N 0 0 277.751 3.806 20 10 CHCDRN COCC(C)(C)CN(C)c1ccc(OC(C)C)cc1 ZINC000763545023 1128981434 /nfs/dbraw/zinc/98/14/34/1128981434.db2.gz RXDVFRHNUUXAAB-UHFFFAOYSA-N 0 0 265.397 3.583 20 10 CHCDRN Nc1ccc(NC(=O)C2(c3cccc(F)c3)CCCC2)cc1 ZINC000237967758 1121394424 /nfs/dbraw/zinc/39/44/24/1121394424.db2.gz CFCJNXSFYYPXLX-UHFFFAOYSA-N 0 0 298.361 3.858 20 10 CHCDRN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC001137837759 1121405586 /nfs/dbraw/zinc/40/55/86/1121405586.db2.gz TWZDCFPZOYRIAL-INIZCTEOSA-N 0 0 271.335 3.868 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1CCCC12CC2)c1ccc(F)cc1[O-] ZINC000706225411 1121421424 /nfs/dbraw/zinc/42/14/24/1121421424.db2.gz IWFINHNGSNCMRB-NEPJUHHUSA-N 0 0 263.356 3.762 20 10 CHCDRN COc1ccccc1[C@H](C)[N@H+](C)Cc1c([O-])cccc1F ZINC001137839040 1121425729 /nfs/dbraw/zinc/42/57/29/1121425729.db2.gz OXUIMAJXSXJMCK-LBPRGKRZSA-N 0 0 289.350 3.733 20 10 CHCDRN C[C@@H](c1cccs1)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893947248 1121444712 /nfs/dbraw/zinc/44/47/12/1121444712.db2.gz VKZXXVJVXOOXNM-VIFPVBQESA-N 0 0 283.343 3.925 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000709309800 1121470475 /nfs/dbraw/zinc/47/04/75/1121470475.db2.gz VRZQWZKUJIZHHD-ZDUSSCGKSA-N 0 0 295.810 3.627 20 10 CHCDRN Nc1ccc(N(c2cscn2)c2ccc(N)cc2)cc1 ZINC001175944671 1121491879 /nfs/dbraw/zinc/49/18/79/1121491879.db2.gz HBDBAIWLLZBEFP-UHFFFAOYSA-N 0 0 282.372 3.777 20 10 CHCDRN CN(c1ccc(N)cc1)c1ccccc1OC(F)F ZINC001176013227 1121525108 /nfs/dbraw/zinc/52/51/08/1121525108.db2.gz DJKLOTGESVLRMV-UHFFFAOYSA-N 0 0 264.275 3.638 20 10 CHCDRN CCN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccccc1 ZINC000758350098 1121539338 /nfs/dbraw/zinc/53/93/38/1121539338.db2.gz JSBYENDUFFITCB-PKNBQFBNSA-N 0 0 286.762 3.801 20 10 CHCDRN CCCCC[C@@](C)(CC)C(=O)NCc1cc(O)ccc1O ZINC001176754897 1121693149 /nfs/dbraw/zinc/69/31/49/1121693149.db2.gz IUSLMFRHJLDDJS-QGZVFWFLSA-N 0 0 293.407 3.711 20 10 CHCDRN Cc1cc(C)c2c(c1)N(C(=O)/C=C\c1cccnc1)CCC2 ZINC000727330904 1121714584 /nfs/dbraw/zinc/71/45/84/1121714584.db2.gz CSGMFHGMVWSMMW-FPLPWBNLSA-N 0 0 292.382 3.691 20 10 CHCDRN Oc1c(F)cc(Cl)cc1CNc1ccc(F)cc1 ZINC001177366488 1121725527 /nfs/dbraw/zinc/72/55/27/1121725527.db2.gz FGLHSFZEKVDVIN-UHFFFAOYSA-N 0 0 269.678 3.936 20 10 CHCDRN Cn1cnc2cc(NCc3cccc4c3CCC4)ccc21 ZINC001178037697 1121765683 /nfs/dbraw/zinc/76/56/83/1121765683.db2.gz XFQUHPODLYCIHP-UHFFFAOYSA-N 0 0 277.371 3.674 20 10 CHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)cc2C)c1 ZINC000729279068 1121770807 /nfs/dbraw/zinc/77/08/07/1121770807.db2.gz YVPIQTUDFPRDEA-ZDUSSCGKSA-N 0 0 299.370 3.509 20 10 CHCDRN CCOc1cccc(NCc2ccc(N3CCCC3)cc2)n1 ZINC001179152596 1121854302 /nfs/dbraw/zinc/85/43/02/1121854302.db2.gz AJUAPQCOEAKKGK-UHFFFAOYSA-N 0 0 297.402 3.693 20 10 CHCDRN COc1ccc(C2([NH2+]Cc3ccc(OC)c(C)c3)CC2)cc1 ZINC000731678566 1121879915 /nfs/dbraw/zinc/87/99/15/1121879915.db2.gz QGZXLBCZEZBGOQ-UHFFFAOYSA-N 0 0 297.398 3.791 20 10 CHCDRN COc1nscc1NCc1c(C)c2ccccc2n1C ZINC001179494212 1121885033 /nfs/dbraw/zinc/88/50/33/1121885033.db2.gz MVIIDEFPTMCVTQ-UHFFFAOYSA-N 0 0 287.388 3.564 20 10 CHCDRN CC[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(Cl)cc1 ZINC000731867526 1121891097 /nfs/dbraw/zinc/89/10/97/1121891097.db2.gz WJVLSRHNNUFJDJ-GFCCVEGCSA-N 0 0 295.791 3.988 20 10 CHCDRN Cc1ccc([C@H](C)N(C)C(=O)C2=CC(=O)CS2)c(C)c1 ZINC000732268015 1121915754 /nfs/dbraw/zinc/91/57/54/1121915754.db2.gz BZKYNNNGVODNOG-LBPRGKRZSA-N 0 0 289.400 3.904 20 10 CHCDRN Cc1ncc(/C=C/C(=O)N(C)c2ccc(C)c(C)c2)s1 ZINC000732734280 1121937852 /nfs/dbraw/zinc/93/78/52/1121937852.db2.gz CFRSIZLDDCPEFU-BQYQJAHWSA-N 0 0 286.400 3.745 20 10 CHCDRN Oc1cc(Cl)ccc1CNc1cccc(-n2cccn2)c1 ZINC001180288350 1121977631 /nfs/dbraw/zinc/97/76/31/1121977631.db2.gz FCNLUKKWVFRADK-UHFFFAOYSA-N 0 0 299.761 3.843 20 10 CHCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CCc2ccccc21 ZINC001180531718 1121995084 /nfs/dbraw/zinc/99/50/84/1121995084.db2.gz JIKQTRICQXYDKH-MRXNPFEDSA-N 0 0 289.325 3.790 20 10 CHCDRN CCc1cccc(CN(C)c2ccc(OC)c(F)c2)c1O ZINC001180757968 1122012472 /nfs/dbraw/zinc/01/24/72/1122012472.db2.gz CRJLLCWZZSNYRY-UHFFFAOYSA-N 0 0 289.350 3.739 20 10 CHCDRN [O-]c1c(F)cccc1C[NH+]1CCCCCCCC1 ZINC000322041421 1122016323 /nfs/dbraw/zinc/01/63/23/1122016323.db2.gz GPYFBEYZVWOXJV-UHFFFAOYSA-N 0 0 251.345 3.688 20 10 CHCDRN CCCCOc1ccc(NCc2ccc(C)cc2O)cn1 ZINC001181043829 1122029764 /nfs/dbraw/zinc/02/97/64/1122029764.db2.gz QBTZTQFCYKPPBA-UHFFFAOYSA-N 0 0 286.375 3.887 20 10 CHCDRN Cc1ccc(O)c(CNc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000071407403 1122050732 /nfs/dbraw/zinc/05/07/32/1122050732.db2.gz MJDCSOJWEYMXCE-UHFFFAOYSA-N 0 0 292.722 3.874 20 10 CHCDRN C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[O-])C1 ZINC001181399749 1122054216 /nfs/dbraw/zinc/05/42/16/1122054216.db2.gz MBYXIZQUTFBDSU-WDEREUQCSA-N 0 0 253.773 3.571 20 10 CHCDRN Fc1cccc2c1CN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001204322184 1122113555 /nfs/dbraw/zinc/11/35/55/1122113555.db2.gz PDSHGSIEVWVHGK-UHFFFAOYSA-N 0 0 296.389 3.942 20 10 CHCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC001182575065 1122176125 /nfs/dbraw/zinc/17/61/25/1122176125.db2.gz VVJKFTGWRMKSKD-TZMCWYRMSA-N 0 0 289.325 3.564 20 10 CHCDRN CCC(C)(C)OC1CN(Cc2cc(C(C)C)ccc2O)C1 ZINC001182918303 1122195814 /nfs/dbraw/zinc/19/58/14/1122195814.db2.gz MIYIXLMCNQADTH-UHFFFAOYSA-N 0 0 291.435 3.905 20 10 CHCDRN Oc1cccc2c1CN(C/C=C\c1ccc(F)cc1F)C2 ZINC001183453704 1122223647 /nfs/dbraw/zinc/22/36/47/1122223647.db2.gz GJTKTCSQRVCXRA-RQOWECAXSA-N 0 0 287.309 3.699 20 10 CHCDRN CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])CCO1 ZINC000273354420 1122228964 /nfs/dbraw/zinc/22/89/64/1122228964.db2.gz CHUHSRZFOXEGLI-VHDGCEQUSA-N 0 0 295.398 3.776 20 10 CHCDRN CC(=O)NCc1ccc(N[C@H](C)c2ccc(C)cc2O)cc1 ZINC000273409278 1122231578 /nfs/dbraw/zinc/23/15/78/1122231578.db2.gz HOGYHEMPRNXLTE-CYBMUJFWSA-N 0 0 298.386 3.510 20 10 CHCDRN Cc1cc(C)c(CNC(=O)C2CCC3(CC3)CC2)c(O)c1 ZINC001183883683 1122244085 /nfs/dbraw/zinc/24/40/85/1122244085.db2.gz 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ZINC000775680881 1122900987 /nfs/dbraw/zinc/90/09/87/1122900987.db2.gz KBENSJHVUBRJTE-CQSZACIVSA-N 0 0 297.826 3.827 20 10 CHCDRN Cc1cc(Cl)cc(C[N@@H+]2CCC(C)(C)C2)c1O ZINC000775691469 1122912309 /nfs/dbraw/zinc/91/23/09/1122912309.db2.gz XXGBHOJJLZVZAP-UHFFFAOYSA-N 0 0 253.773 3.586 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000775723510 1122924959 /nfs/dbraw/zinc/92/49/59/1122924959.db2.gz HICQJELAMBRUPG-UONOGXRCSA-N 0 0 297.851 3.906 20 10 CHCDRN CC(C)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775737847 1122931179 /nfs/dbraw/zinc/93/11/79/1122931179.db2.gz UEKVOTSUZCWHIC-SNVBAGLBSA-N 0 0 271.763 3.663 20 10 CHCDRN COc1cc(O)c(CNc2ccc(Cl)cc2)cc1OC ZINC000775748970 1122938876 /nfs/dbraw/zinc/93/88/76/1122938876.db2.gz NSCSEMTXIUYBJW-UHFFFAOYSA-N 0 0 293.750 3.675 20 10 CHCDRN [O-]c1c(F)cccc1C[NH+]1CCC2(CCCC2)CC1 ZINC000160232645 1122947616 /nfs/dbraw/zinc/94/76/16/1122947616.db2.gz VVYSYCVKDZNHLA-UHFFFAOYSA-N 0 0 263.356 3.688 20 10 CHCDRN CC(C)[C@@H]1CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000775764929 1122950261 /nfs/dbraw/zinc/95/02/61/1122950261.db2.gz LWEHWZGBTAEOJY-LBPRGKRZSA-N 0 0 274.191 3.929 20 10 CHCDRN CN(c1ccc(N)cc1)C1=CC[C@H](C(F)(F)F)CC1 ZINC001197426363 1122956837 /nfs/dbraw/zinc/95/68/37/1122956837.db2.gz QRGTWGDTLVZFGM-JTQLQIEISA-N 0 0 270.298 3.951 20 10 CHCDRN C[C@H](NC/C(Cl)=C\Cl)c1ccc(N(C)C)cc1 ZINC000775830482 1122984666 /nfs/dbraw/zinc/98/46/66/1122984666.db2.gz KAONJBUKQIHSOM-MJWAUXSNSA-N 0 0 273.207 3.722 20 10 CHCDRN C[C@H](NC(=S)NC1CCCCCC1)c1ccccc1O ZINC001199972907 1123049318 /nfs/dbraw/zinc/04/93/18/1123049318.db2.gz IEDKMDOGPCIXFL-LBPRGKRZSA-N 0 0 292.448 3.640 20 10 CHCDRN CCc1cc(OC)ccc1CNc1ccc2c(c1)ncn2C ZINC001201114603 1123073985 /nfs/dbraw/zinc/07/39/85/1123073985.db2.gz JBWKJCXVXGYWRK-UHFFFAOYSA-N 0 0 295.386 3.756 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccn3ccnc3c2)cc1 ZINC001201498430 1123111202 /nfs/dbraw/zinc/11/12/02/1123111202.db2.gz YRNSMKZCIRTFNE-UHFFFAOYSA-N 0 0 266.348 3.898 20 10 CHCDRN 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ZINC000776472628 1123266203 /nfs/dbraw/zinc/26/62/03/1123266203.db2.gz AJJDIXDYMVGPPX-KBPBESRZSA-N 0 0 275.392 3.567 20 10 CHCDRN CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000850493190 1123275393 /nfs/dbraw/zinc/27/53/93/1123275393.db2.gz HVHPDYZCTCFACA-MFKMUULPSA-N 0 0 299.361 3.526 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cccc(Cl)c1[O-] ZINC000850524058 1123280107 /nfs/dbraw/zinc/28/01/07/1123280107.db2.gz SZFBLPIMAQDBAA-FZMZJTMJSA-N 0 0 295.810 3.798 20 10 CHCDRN COCc1csc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000850532488 1123286378 /nfs/dbraw/zinc/28/63/78/1123286378.db2.gz MKBUCCYRYVRVRQ-JTQLQIEISA-N 0 0 295.379 3.590 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000850539184 1123288263 /nfs/dbraw/zinc/28/82/63/1123288263.db2.gz BKSZESUBUVBDHZ-OQPBUACISA-N 0 0 255.308 3.510 20 10 CHCDRN C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000850556980 1123291197 /nfs/dbraw/zinc/29/11/97/1123291197.db2.gz SQZCQNRKRMJNDC-XLKFXECMSA-N 0 0 255.308 3.510 20 10 CHCDRN CC(C)CC1([NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000850566335 1123293551 /nfs/dbraw/zinc/29/35/51/1123293551.db2.gz LRFQIJXBNXYPIB-NSHDSACASA-N 0 0 251.345 3.761 20 10 CHCDRN Nc1ccc(CNC(=O)c2cccc(C3CCCC3)c2)cc1 ZINC000850712328 1123297273 /nfs/dbraw/zinc/29/72/73/1123297273.db2.gz WNRJZGQHRDNZIC-UHFFFAOYSA-N 0 0 294.398 3.856 20 10 CHCDRN c1ccn(-c2ccc(-c3nc(-c4ccccn4)no3)cc2)c1 ZINC000109498860 1123298443 /nfs/dbraw/zinc/29/84/43/1123298443.db2.gz SAIQTMIRYPWHKX-UHFFFAOYSA-N 0 0 288.310 3.589 20 10 CHCDRN Cc1cccc2c1CCC[C@H]2NC(=O)Nc1ccc(N)cc1 ZINC000850750927 1123299543 /nfs/dbraw/zinc/29/95/43/1123299543.db2.gz PVYDECZSAQGMEU-QGZVFWFLSA-N 0 0 295.386 3.776 20 10 CHCDRN CCN(Cc1cnn(C(C)(C)C)c1)c1ccc(OC)cc1 ZINC000851827181 1123383294 /nfs/dbraw/zinc/38/32/94/1123383294.db2.gz CEATWMKLHSJJTF-UHFFFAOYSA-N 0 0 287.407 3.673 20 10 CHCDRN CCOc1ccc(N(CC)Cc2cccc(F)n2)cc1 ZINC000851830309 1123383504 /nfs/dbraw/zinc/38/35/04/1123383504.db2.gz QQEGPNPGLWOCHM-UHFFFAOYSA-N 0 0 274.339 3.646 20 10 CHCDRN COc1ccc(C[N@H+](C)Cc2ccccc2O)c(Cl)c1 ZINC000749840177 1123393502 /nfs/dbraw/zinc/39/35/02/1123393502.db2.gz JRPMZSVQRDUSDX-UHFFFAOYSA-N 0 0 291.778 3.686 20 10 CHCDRN C/C(=C/C(=O)N(C)Cc1ccccc1O)c1cccc(F)c1 ZINC000111570015 1123453331 /nfs/dbraw/zinc/45/33/31/1123453331.db2.gz NIOFJFLHVNLDTO-RAXLEYEMSA-N 0 0 299.345 3.593 20 10 CHCDRN CC[C@H](C)N(CC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000854002461 1123464991 /nfs/dbraw/zinc/46/49/91/1123464991.db2.gz AHLBAFDYLSQSQY-KBPBESRZSA-N 0 0 291.439 3.644 20 10 CHCDRN Nc1ccc(Cc2noc([C@@H]3CCCC4(CC4)C3)n2)cc1 ZINC000854133760 1123470024 /nfs/dbraw/zinc/47/00/24/1123470024.db2.gz JOYZQOUMDNYQFQ-CYBMUJFWSA-N 0 0 283.375 3.680 20 10 CHCDRN C[C@H]([NH2+]CCCc1cccs1)c1ccccc1O ZINC000783526713 1123497493 /nfs/dbraw/zinc/49/74/93/1123497493.db2.gz XRUMWNVNDHPKDL-LBPRGKRZSA-N 0 0 261.390 3.737 20 10 CHCDRN CC1=CC[C@@](C)(C(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000855022538 1123503583 /nfs/dbraw/zinc/50/35/83/1123503583.db2.gz 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Cc1cc(C)c([C@@H](C)Nc2cnn3c2CCCC3)c(O)c1 ZINC000866460687 1124069039 /nfs/dbraw/zinc/06/90/39/1124069039.db2.gz IXPMZRZVYNASSS-CYBMUJFWSA-N 0 0 285.391 3.715 20 10 CHCDRN CC[C@H]([NH2+]Cc1ccc(C)o1)c1ccc(F)cc1[O-] ZINC000866478536 1124070388 /nfs/dbraw/zinc/07/03/88/1124070388.db2.gz JJTZMPOZQYYOCH-AWEZNQCLSA-N 0 0 263.312 3.674 20 10 CHCDRN Cc1ccc(SCC(=O)c2ccc(O)c(O)c2)c(C)c1 ZINC000034980055 1124071667 /nfs/dbraw/zinc/07/16/67/1124071667.db2.gz GMNWXLKRJXYFSY-UHFFFAOYSA-N 0 0 288.368 3.690 20 10 CHCDRN CN(C)c1ccc(N[C@H]2CCc3cccc(O)c32)cc1F ZINC000866626343 1124092181 /nfs/dbraw/zinc/09/21/81/1124092181.db2.gz SATFEAMMCOHGNW-AWEZNQCLSA-N 0 0 286.350 3.697 20 10 CHCDRN CCCCC1CCC(C(=O)NCc2ccc(N)cc2)CC1 ZINC000037666262 1129165834 /nfs/dbraw/zinc/16/58/34/1129165834.db2.gz DIXRVSVQOTVSCX-UHFFFAOYSA-N 0 0 288.435 3.882 20 10 CHCDRN CC[C@@H](O)CNc1cc2oc3ccccc3c2cc1OC ZINC000819399320 1131244443 /nfs/dbraw/zinc/24/44/43/1131244443.db2.gz SWAXNNQYXRWNSB-LLVKDONJSA-N 0 0 285.343 3.777 20 10 CHCDRN Nc1ccc(NC(=O)N2CCC[C@@H](C3CCC3)CC2)cc1 ZINC000868163034 1124460104 /nfs/dbraw/zinc/46/01/04/1124460104.db2.gz LQVFNNRYCLZMQC-CQSZACIVSA-N 0 0 287.407 3.703 20 10 CHCDRN Cc1cnn(-c2ccc(C)cc2NCc2ccccc2O)c1 ZINC000122365654 1124494591 /nfs/dbraw/zinc/49/45/91/1124494591.db2.gz UTVALXMONWKTRI-UHFFFAOYSA-N 0 0 293.370 3.807 20 10 CHCDRN CN(C)c1ccc(-c2nc(-c3cccnc3)cs2)cc1 ZINC000123047191 1124556219 /nfs/dbraw/zinc/55/62/19/1124556219.db2.gz QUTBMFYCGGDQNL-UHFFFAOYSA-N 0 0 281.384 3.938 20 10 CHCDRN Cc1cccc(C(=O)N(C)Cc2ccccc2O)c1Cl ZINC000123290614 1124582098 /nfs/dbraw/zinc/58/20/98/1124582098.db2.gz XNLQHRZROOVTTE-UHFFFAOYSA-N 0 0 289.762 3.626 20 10 CHCDRN Oc1ccccc1CN(Cc1ccco1)Cc1ccncc1 ZINC000123383302 1124589133 /nfs/dbraw/zinc/58/91/33/1124589133.db2.gz TWKFDZGYWXYJCW-UHFFFAOYSA-N 0 0 294.354 3.583 20 10 CHCDRN CCCC[C@@H](CC)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871202918 1124602398 /nfs/dbraw/zinc/60/23/98/1124602398.db2.gz PDBXNUPJEDBOPU-CYBMUJFWSA-N 0 0 275.392 3.841 20 10 CHCDRN CC(C)[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871202353 1124602858 /nfs/dbraw/zinc/60/28/58/1124602858.db2.gz FLHUCJAUNFNXAR-SFHVURJKSA-N 0 0 295.382 3.674 20 10 CHCDRN Clc1ncsc1COc1ccc(N2CCCC2)cc1 ZINC000871736448 1124634203 /nfs/dbraw/zinc/63/42/03/1124634203.db2.gz LFVHOTMNUWUGQV-UHFFFAOYSA-N 0 0 294.807 3.976 20 10 CHCDRN Cc1ncsc1CNc1ccccc1NC(C)C ZINC000871845905 1124645010 /nfs/dbraw/zinc/64/50/10/1124645010.db2.gz MQQGIJNMDXCBPD-UHFFFAOYSA-N 0 0 261.394 3.884 20 10 CHCDRN CC(C)Nc1ccccc1NCc1noc(C(C)(C)C)n1 ZINC000871846146 1124645054 /nfs/dbraw/zinc/64/50/54/1124645054.db2.gz SORDHTCXWMXAGY-UHFFFAOYSA-N 0 0 288.395 3.800 20 10 CHCDRN COc1cc(C)nc(CNc2ccccc2NC(C)C)c1 ZINC000871846221 1124645136 /nfs/dbraw/zinc/64/51/36/1124645136.db2.gz VRXLOJUVOZUWSF-UHFFFAOYSA-N 0 0 285.391 3.831 20 10 CHCDRN Cc1n[nH]c(C)c1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000124086020 1124715579 /nfs/dbraw/zinc/71/55/79/1124715579.db2.gz YQOWFOYGSTXUCI-UHFFFAOYSA-N 0 0 299.418 3.677 20 10 CHCDRN O=C(NCc1ccccc1O)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000825659339 1124740917 /nfs/dbraw/zinc/74/09/17/1124740917.db2.gz ZTPMCFAVNXPELW-IAGOWNOFSA-N 0 0 295.382 3.592 20 10 CHCDRN c1cn(Cc2ccccc2)c2ccnc(-c3cnoc3)c12 ZINC001239168501 1131303618 /nfs/dbraw/zinc/30/36/18/1131303618.db2.gz BBPSMKFHNCSPFG-UHFFFAOYSA-N 0 0 275.311 3.740 20 10 CHCDRN CCCCc1ccc(NC(=O)NCc2ccc(N)cc2)cc1 ZINC001239219956 1131306853 /nfs/dbraw/zinc/30/68/53/1131306853.db2.gz FNHAIGPHPHIWFP-UHFFFAOYSA-N 0 0 297.402 3.933 20 10 CHCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000124655631 1124802916 /nfs/dbraw/zinc/80/29/16/1124802916.db2.gz JMYACVSOHORGDM-LLVKDONJSA-N 0 0 261.752 3.896 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]CCCc1ccccc1 ZINC000124648434 1124803073 /nfs/dbraw/zinc/80/30/73/1124803073.db2.gz WZFZHHHNXRZWOM-UHFFFAOYSA-N 0 0 275.779 3.768 20 10 CHCDRN CC[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC000875176018 1124882486 /nfs/dbraw/zinc/88/24/86/1124882486.db2.gz LUDOQTZDHZQTCE-CZUORRHYSA-N 0 0 298.386 3.904 20 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CHCDRN COc1ccc(NCc2c(C)cccc2O)c(C)c1 ZINC000876842198 1124984881 /nfs/dbraw/zinc/98/48/81/1124984881.db2.gz HETMXZYSWGCTOY-UHFFFAOYSA-N 0 0 257.333 3.630 20 10 CHCDRN CCOCc1cccc(NCc2c(C)cccc2O)c1 ZINC000876856298 1124985086 /nfs/dbraw/zinc/98/50/86/1124985086.db2.gz DWEPCMMLTBYTBK-UHFFFAOYSA-N 0 0 271.360 3.849 20 10 CHCDRN C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])o1 ZINC000876945589 1124991441 /nfs/dbraw/zinc/99/14/41/1124991441.db2.gz FXRVKQWXAXTMSI-SKDRFNHKSA-N 0 0 293.313 3.677 20 10 CHCDRN Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876973423 1124993665 /nfs/dbraw/zinc/99/36/65/1124993665.db2.gz GACKKYYKQUNVQU-HNNXBMFYSA-N 0 0 289.325 3.756 20 10 CHCDRN CCC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccn1 ZINC000877012837 1124998082 /nfs/dbraw/zinc/99/80/82/1124998082.db2.gz GBZYENSZDBKAEP-CYBMUJFWSA-N 0 0 292.329 3.696 20 10 CHCDRN Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877015437 1124998253 /nfs/dbraw/zinc/99/82/53/1124998253.db2.gz PTKNZLKHUHJMLK-HNNXBMFYSA-N 0 0 289.325 3.756 20 10 CHCDRN CN(C(=O)[C@H]1CCC[C@@H]1c1ccccc1)c1ccc(N)cc1 ZINC000877074723 1125004773 /nfs/dbraw/zinc/00/47/73/1125004773.db2.gz QXPWZPLTJWVTIB-MSOLQXFVSA-N 0 0 294.398 3.816 20 10 CHCDRN Cc1cc(C(=O)N(C)c2ccc(N)cc2)c(C)n1C(C)C ZINC000877081098 1125006310 /nfs/dbraw/zinc/00/63/10/1125006310.db2.gz UOIWWGUCVZOQQY-UHFFFAOYSA-N 0 0 285.391 3.545 20 10 CHCDRN CC(C)c1ccc(CCC(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877081199 1125006548 /nfs/dbraw/zinc/00/65/48/1125006548.db2.gz XHAHEMLBTLVBIH-UHFFFAOYSA-N 0 0 296.414 3.988 20 10 CHCDRN Cc1ccc(C(C)(C)C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877078395 1125007148 /nfs/dbraw/zinc/00/71/48/1125007148.db2.gz OGEZFZWYGYZPNH-UHFFFAOYSA-N 0 0 282.387 3.518 20 10 CHCDRN CC(C)(C)c1ncc(CN2Cc3cccc(O)c3C2)s1 ZINC000877704220 1125066240 /nfs/dbraw/zinc/06/62/40/1125066240.db2.gz ZXCSAZWGLOOPQN-UHFFFAOYSA-N 0 0 288.416 3.662 20 10 CHCDRN CCOc1ccc(N(CC)C(=O)C2=CC(=O)CS2)cc1 ZINC000821433062 1131329742 /nfs/dbraw/zinc/32/97/42/1131329742.db2.gz MQXHMIRVPQVJFS-UHFFFAOYSA-N 0 0 291.372 3.519 20 10 CHCDRN C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])o1 ZINC000882903818 1125361481 /nfs/dbraw/zinc/36/14/81/1125361481.db2.gz KKZLPNCKDXWDNS-NOZJJQNGSA-N 0 0 293.313 3.677 20 10 CHCDRN Cc1cccc(C)c1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883048488 1125369556 /nfs/dbraw/zinc/36/95/56/1125369556.db2.gz PQKXNEGUSSPVEI-UHFFFAOYSA-N 0 0 277.314 3.577 20 10 CHCDRN CC(C)c1c[nH]c(CNc2ccccc2OCC(F)F)n1 ZINC000883045390 1125369694 /nfs/dbraw/zinc/36/96/94/1125369694.db2.gz XCHRDVFYWLLJKN-UHFFFAOYSA-N 0 0 295.333 3.789 20 10 CHCDRN CCCc1ccccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC001124479358 1131352337 /nfs/dbraw/zinc/35/23/37/1131352337.db2.gz AMYNDNSJFXBJFS-UHFFFAOYSA-N 0 0 296.414 3.635 20 10 CHCDRN Oc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000131579987 1125398344 /nfs/dbraw/zinc/39/83/44/1125398344.db2.gz MLUMHDVBAMGOSR-MRXNPFEDSA-N 0 0 253.345 3.729 20 10 CHCDRN COc1ccc(O)c([C@@H](C)Nc2cnc(C)c(C)c2)c1 ZINC000883342878 1125398759 /nfs/dbraw/zinc/39/87/59/1125398759.db2.gz PNRAVSDIUZHQSQ-GFCCVEGCSA-N 0 0 272.348 3.586 20 10 CHCDRN CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000131852277 1125410267 /nfs/dbraw/zinc/41/02/67/1125410267.db2.gz OJTDMHHQLMABJL-UHFFFAOYSA-N 0 0 274.191 3.931 20 10 CHCDRN CN(C[C@@H]1CC[C@H](c2ccccc2)O1)c1ccc(N)cc1 ZINC000883438128 1125410594 /nfs/dbraw/zinc/41/05/94/1125410594.db2.gz LHPLEVUCVYILQU-ZWKOTPCHSA-N 0 0 282.387 3.625 20 10 CHCDRN CC[N@H+](Cc1cc(Cl)ccc1[O-])C1CCCC1 ZINC000132152058 1125415422 /nfs/dbraw/zinc/41/54/22/1125415422.db2.gz PZEHMLIGEHXSOZ-UHFFFAOYSA-N 0 0 253.773 3.810 20 10 CHCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(C)CC=CC1 ZINC001124550356 1131354716 /nfs/dbraw/zinc/35/47/16/1131354716.db2.gz AFZLQQICKBUHRW-UHFFFAOYSA-N 0 0 298.430 3.602 20 10 CHCDRN COC(=O)c1cccc(Cl)c1CSc1nccs1 ZINC000795216171 1129192251 /nfs/dbraw/zinc/19/22/51/1129192251.db2.gz XTOWFGLKXFAORU-UHFFFAOYSA-N 0 0 299.804 3.875 20 10 CHCDRN COc1ccccc1N[C@@H]1CCc2cccc(O)c21 ZINC000296851338 1129223812 /nfs/dbraw/zinc/22/38/12/1129223812.db2.gz NFOIDBLSWKFVTL-CYBMUJFWSA-N 0 0 255.317 3.500 20 10 CHCDRN C[C@H]1CCC[C@H](C)[NH+]1Cc1cc(F)c(Cl)cc1[O-] ZINC001237947516 1129225028 /nfs/dbraw/zinc/22/50/28/1129225028.db2.gz QIUVRLSLORTTJW-UWVGGRQHSA-N 0 0 271.763 3.948 20 10 CHCDRN CSc1cccc(N(C)Cc2ccccc2O)c1 ZINC000184749914 1129244897 /nfs/dbraw/zinc/24/48/97/1129244897.db2.gz JVCSKDVBMZVHSB-UHFFFAOYSA-N 0 0 259.374 3.751 20 10 CHCDRN Clc1ncc(COc2ccc(N3CCCC3)cc2)s1 ZINC000089739239 1129250516 /nfs/dbraw/zinc/25/05/16/1129250516.db2.gz GMBOPXWMASMTRQ-UHFFFAOYSA-N 0 0 294.807 3.976 20 10 CHCDRN Cc1cc(-c2nc(C)no2)c(C)n1-c1ccc(F)cc1 ZINC000733739484 1129268109 /nfs/dbraw/zinc/26/81/09/1129268109.db2.gz LYIPAKJJQRUNPY-UHFFFAOYSA-N 0 0 271.295 3.592 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccnc(C)c1 ZINC000282593032 1129273027 /nfs/dbraw/zinc/27/30/27/1129273027.db2.gz XGEQWXNECWTVBC-UHFFFAOYSA-N 0 0 298.386 3.538 20 10 CHCDRN CC[C@H]([NH2+]CCc1ccc(C)nc1)c1ccc(F)cc1[O-] ZINC000796762406 1129273975 /nfs/dbraw/zinc/27/39/75/1129273975.db2.gz RQERTVFYLFMDIS-INIZCTEOSA-N 0 0 288.366 3.518 20 10 CHCDRN CO[C@@H](CSc1nccs1)c1ccccc1 ZINC000282662261 1129276790 /nfs/dbraw/zinc/27/67/90/1129276790.db2.gz NVSQTYDOKAAGJU-NSHDSACASA-N 0 0 251.376 3.623 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C=C1CCCCC1 ZINC000734406210 1129307926 /nfs/dbraw/zinc/30/79/26/1129307926.db2.gz QPFDIXLYALZALS-UHFFFAOYSA-N 0 0 286.419 3.568 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H](C)CC(C)C ZINC000734405733 1129308347 /nfs/dbraw/zinc/30/83/47/1129308347.db2.gz IYKITMXTAQQGOR-AWEZNQCLSA-N 0 0 290.451 3.750 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNc1cnc2ccccc2n1 ZINC000734483667 1129309523 /nfs/dbraw/zinc/30/95/23/1129309523.db2.gz QELKGXJBONISGH-UHFFFAOYSA-N 0 0 292.386 3.616 20 10 CHCDRN COC(C)(C)[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000720233951 1129364607 /nfs/dbraw/zinc/36/46/07/1129364607.db2.gz NXGGJQARRCGRLM-QMMMGPOBSA-N 0 0 292.206 3.602 20 10 CHCDRN COc1ccc(N(CC(F)(F)C(F)F)C(C)C)cc1F ZINC000736619773 1129377922 /nfs/dbraw/zinc/37/79/22/1129377922.db2.gz OQLGRAPNOLCGFX-UHFFFAOYSA-N 0 0 297.267 3.950 20 10 CHCDRN CC(C)CN(Cc1ccccc1)C(=O)C1=CC(=O)CS1 ZINC000736720557 1129378953 /nfs/dbraw/zinc/37/89/53/1129378953.db2.gz GJJSOXVWVADVRO-UHFFFAOYSA-N 0 0 289.400 3.752 20 10 CHCDRN Cc1cc(O)c(CNc2ccc3c(c2)COC3)cc1C ZINC000092855136 1129410190 /nfs/dbraw/zinc/41/01/90/1129410190.db2.gz YKRWUNJBEUKQEO-UHFFFAOYSA-N 0 0 269.344 3.651 20 10 CHCDRN COc1ccc(N(Cc2ncccc2C)C(C)C)cc1F ZINC000093192727 1129418299 /nfs/dbraw/zinc/41/82/99/1129418299.db2.gz QMQGHHJWLIDKEE-UHFFFAOYSA-N 0 0 288.366 3.953 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12)c1ccc(F)cc1[O-] ZINC000248490335 1129419738 /nfs/dbraw/zinc/41/97/38/1129419738.db2.gz IBJKRORTWGEZRJ-GIYVSIDVSA-N 0 0 297.373 3.768 20 10 CHCDRN COc1ccc2c(c1)CCCCN2Cc1ccc(C)cn1 ZINC000766270220 1129433988 /nfs/dbraw/zinc/43/39/88/1129433988.db2.gz RTADTWPHTRPAII-UHFFFAOYSA-N 0 0 282.387 3.742 20 10 CHCDRN COc1cc(N[C@H](C)c2cc(F)ccc2O)cc(OC)c1 ZINC000094616636 1129448333 /nfs/dbraw/zinc/44/83/33/1129448333.db2.gz JGBQGIJNJXHBAU-SNVBAGLBSA-N 0 0 291.322 3.722 20 10 CHCDRN CCOc1ccc(N(CC)Cc2ccccn2)cc1 ZINC000741781196 1129452422 /nfs/dbraw/zinc/45/24/22/1129452422.db2.gz LWTIFTILBGRBPT-UHFFFAOYSA-N 0 0 256.349 3.507 20 10 CHCDRN CC[C@H]1CC[C@H](C(=O)N(C)Cc2ccccc2O)CC1 ZINC000249848235 1129460762 /nfs/dbraw/zinc/46/07/62/1129460762.db2.gz OVQMIAGEIMVUOE-HDJSIYSDSA-N 0 0 275.392 3.567 20 10 CHCDRN CCCCC[C@@H](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000742489054 1129482087 /nfs/dbraw/zinc/48/20/87/1129482087.db2.gz UOUMUAXODJJODA-OAHLLOKOSA-N 0 0 290.451 3.975 20 10 CHCDRN Fc1cc(C2=CCN(c3ccccc3)CC2)cnc1F ZINC001241352291 1129522879 /nfs/dbraw/zinc/52/28/79/1129522879.db2.gz PZTNQDPCZZBXPH-UHFFFAOYSA-N 0 0 272.298 3.654 20 10 CHCDRN COc1ccc(N(Cc2ccccc2)CC2(C)COC2)cc1 ZINC000744386063 1129576239 /nfs/dbraw/zinc/57/62/39/1129576239.db2.gz YLPYRFSADBEURM-UHFFFAOYSA-N 0 0 297.398 3.738 20 10 CHCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCC1CCCCC1 ZINC000096939381 1129577140 /nfs/dbraw/zinc/57/71/40/1129577140.db2.gz XJJMXUOCQZQZQY-VQHVLOKHSA-N 0 0 290.359 3.625 20 10 CHCDRN Cc1cc(O)c(CNc2cnn([C@H](C)C3CC3)c2)cc1C ZINC000189253928 1129605782 /nfs/dbraw/zinc/60/57/82/1129605782.db2.gz YWNUBGQZFQEGDH-CYBMUJFWSA-N 0 0 285.391 3.789 20 10 CHCDRN COc1ccc(N(Cc2cccc(C)n2)C(C)C)cc1F ZINC000745983969 1129622246 /nfs/dbraw/zinc/62/22/46/1129622246.db2.gz KKZOUDHKBHPMQU-UHFFFAOYSA-N 0 0 288.366 3.953 20 10 CHCDRN COc1ccc(N(Cc2nc(C)c(C)o2)CC(C)C)cc1 ZINC000746169845 1129628556 /nfs/dbraw/zinc/62/85/56/1129628556.db2.gz ACCUCIAMSWPMBK-UHFFFAOYSA-N 0 0 288.391 3.963 20 10 CHCDRN CN(C)c1ccc(C2=CCOCC2)c(C(F)(F)F)c1 ZINC001242075651 1129655036 /nfs/dbraw/zinc/65/50/36/1129655036.db2.gz BGZMDGLATDQCIH-UHFFFAOYSA-N 0 0 271.282 3.575 20 10 CHCDRN COCc1ccnc(NCc2c(C)c3ccccc3n2C)c1 ZINC000650243930 1129702280 /nfs/dbraw/zinc/70/22/80/1129702280.db2.gz VMRXBJUQMIIZGV-UHFFFAOYSA-N 0 0 295.386 3.640 20 10 CHCDRN C[C@H](O)c1cc(NCc2c(O)cccc2Cl)ccc1F ZINC000796518390 1129767842 /nfs/dbraw/zinc/76/78/42/1129767842.db2.gz GMNOWPMOIWDKNU-VIFPVBQESA-N 0 0 295.741 3.850 20 10 CHCDRN C[C@@H](O)c1cc(NCc2cc(Cl)ccc2O)ccc1F ZINC000796521566 1129770315 /nfs/dbraw/zinc/77/03/15/1129770315.db2.gz KCBQECNIDQPBEK-SECBINFHSA-N 0 0 295.741 3.850 20 10 CHCDRN CC/C=C\CCN(CCOC)c1ccc(OC)c(OC)c1 ZINC000767334857 1129785611 /nfs/dbraw/zinc/78/56/11/1129785611.db2.gz XLZHCKIWWGJKQG-SREVYHEPSA-N 0 0 293.407 3.513 20 10 CHCDRN COCc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000767737217 1129810769 /nfs/dbraw/zinc/81/07/69/1129810769.db2.gz DBRQBCBQPBOSBT-UHFFFAOYSA-N 0 0 288.366 3.650 20 10 CHCDRN CCc1ccccc1NCc1ccc(N(C)C)cc1 ZINC000019956293 1129847468 /nfs/dbraw/zinc/84/74/68/1129847468.db2.gz QLGRIKALTBAVBN-UHFFFAOYSA-N 0 0 254.377 3.927 20 10 CHCDRN CC[N@H+](Cc1ccccc1C)Cc1c(O)cccc1OC ZINC000768334382 1129851065 /nfs/dbraw/zinc/85/10/65/1129851065.db2.gz GSCMBYGICSPQMQ-UHFFFAOYSA-N 0 0 285.387 3.731 20 10 CHCDRN CC(C)C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000768531758 1129861750 /nfs/dbraw/zinc/86/17/50/1129861750.db2.gz BKFYKNQVWCNKBH-UHFFFAOYSA-N 0 0 298.770 3.574 20 10 CHCDRN CCCC[C@@H](C)C(=O)NCCCSc1nccs1 ZINC000800491963 1129879739 /nfs/dbraw/zinc/87/97/39/1129879739.db2.gz YOZRFFKJPHIYDT-LLVKDONJSA-N 0 0 286.466 3.568 20 10 CHCDRN COc1ccc(N(C)Cc2cccc(OC)c2F)cc1F ZINC000800520366 1129880932 /nfs/dbraw/zinc/88/09/32/1129880932.db2.gz BAEABHLJIOEKPS-UHFFFAOYSA-N 0 0 293.313 3.618 20 10 CHCDRN CC[C@H](NC1(C(F)F)CC1)c1cc(Cl)ccc1O ZINC000800501938 1129881110 /nfs/dbraw/zinc/88/11/10/1129881110.db2.gz IAJOSFBJEJNPQX-JTQLQIEISA-N 0 0 275.726 3.884 20 10 CHCDRN Oc1ccc(Cl)cc1CN1CCCC[C@@H]1C(F)F ZINC000800533221 1129882649 /nfs/dbraw/zinc/88/26/49/1129882649.db2.gz KXZSZZMCIDFEMX-LLVKDONJSA-N 0 0 275.726 3.665 20 10 CHCDRN Oc1ccc(-c2csc(CC3CCCC3)n2)cc1O ZINC000800721897 1129886186 /nfs/dbraw/zinc/88/61/86/1129886186.db2.gz YAOCFUQVOANOKS-UHFFFAOYSA-N 0 0 275.373 3.954 20 10 CHCDRN CCCCN(Cc1ccccc1O)c1ncncc1Cl ZINC000800887028 1129895994 /nfs/dbraw/zinc/89/59/94/1129895994.db2.gz LQLCNOQTWFLZLY-UHFFFAOYSA-N 0 0 291.782 3.642 20 10 CHCDRN C[C@H](NCc1csc(Cl)n1)c1ccc(N(C)C)cc1 ZINC000828959700 1131407537 /nfs/dbraw/zinc/40/75/37/1131407537.db2.gz PHBLTCDBBYUMPK-JTQLQIEISA-N 0 0 295.839 3.713 20 10 CHCDRN C/C=C/C=C/C(=O)N(CCCC)Cc1ccccc1O ZINC000801548247 1129926114 /nfs/dbraw/zinc/92/61/14/1129926114.db2.gz QHHKROBKRBYGRT-PPRDQHCASA-N 0 0 273.376 3.653 20 10 CHCDRN O=C(OCCC1CCCCC1)C1=CC(=O)CS1 ZINC000745002332 1129932764 /nfs/dbraw/zinc/93/27/64/1129932764.db2.gz IRMYEIFNLHLHKG-UHFFFAOYSA-N 0 0 254.351 3.581 20 10 CHCDRN CCN(C)c1ccc([C@H](C)Nc2cnn(C)c2C2CC2)cc1 ZINC000769982509 1129934157 /nfs/dbraw/zinc/93/41/57/1129934157.db2.gz XRKRZXACONMNMD-ZDUSSCGKSA-N 0 0 298.434 3.927 20 10 CHCDRN CCc1cccc(CNc2cccc(OC)c2)c1O ZINC000691503830 1129981687 /nfs/dbraw/zinc/98/16/87/1129981687.db2.gz HHLIZPYIAHXOES-UHFFFAOYSA-N 0 0 257.333 3.575 20 10 CHCDRN C[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000802308806 1129991643 /nfs/dbraw/zinc/99/16/43/1129991643.db2.gz IZIKKYARGBAHAY-UPJWGTAASA-N 0 0 295.398 3.776 20 10 CHCDRN CC[C@H](Nc1ccc(OC(F)F)nc1)c1ccccc1O ZINC000802320412 1129992777 /nfs/dbraw/zinc/99/27/77/1129992777.db2.gz DJRNNPSMMDDVSG-LBPRGKRZSA-N 0 0 294.301 3.952 20 10 CHCDRN Cc1ccc(O)c([C@@H](C)Nc2ccc(OC(F)F)nc2)c1 ZINC000802320821 1129992806 /nfs/dbraw/zinc/99/28/06/1129992806.db2.gz JFNAXTFDTXMSMO-SNVBAGLBSA-N 0 0 294.301 3.870 20 10 CHCDRN Cc1cncc(/C=C/C(=O)N2CCCCc3ccccc32)c1 ZINC000772057975 1130001747 /nfs/dbraw/zinc/00/17/47/1130001747.db2.gz RINGBUZQEKGPRI-MDZDMXLPSA-N 0 0 292.382 3.773 20 10 CHCDRN Cc1cncc(/C=C/C(=O)N2CC[C@@H](C)c3ccccc32)c1 ZINC000772059136 1130001914 /nfs/dbraw/zinc/00/19/14/1130001914.db2.gz ULQUMPUKBKNSIS-MVGZEHJDSA-N 0 0 292.382 3.944 20 10 CHCDRN CCN(C(=O)/C=C/c1cncc(C)c1)c1ccccc1F ZINC000772044623 1130002064 /nfs/dbraw/zinc/00/20/64/1130002064.db2.gz FCCFVLDMEVJFAB-CMDGGOBGSA-N 0 0 284.334 3.595 20 10 CHCDRN Cc1cncc(/C=C/C(=O)N2CCc3ccc(Cl)cc32)c1 ZINC000772091657 1130003132 /nfs/dbraw/zinc/00/31/32/1130003132.db2.gz BMVUAUJORZOJRS-GORDUTHDSA-N 0 0 298.773 3.646 20 10 CHCDRN Cc1cncc(/C=C/C(=O)N2CCc3cccc(Cl)c32)c1 ZINC000772067840 1130004513 /nfs/dbraw/zinc/00/45/13/1130004513.db2.gz CIRKRXNUIUYNHG-AATRIKPKSA-N 0 0 298.773 3.646 20 10 CHCDRN Cc1cncc(/C=C/C(=O)N2C[C@@H](C)Cc3ccccc32)c1 ZINC000772107072 1130004847 /nfs/dbraw/zinc/00/48/47/1130004847.db2.gz QLOGWESRJFGXAQ-KIUWMYQTSA-N 0 0 292.382 3.629 20 10 CHCDRN Cc1cncc(/C=C\C(=O)N(C)c2cc(C)cc(C)c2)c1 ZINC000772072146 1130005108 /nfs/dbraw/zinc/00/51/08/1130005108.db2.gz XFCROXUGUNEHPK-WAYWQWQTSA-N 0 0 280.371 3.683 20 10 CHCDRN CCOc1ccc(N(CC)C[C@H]2CCO[C@H](C)C2)cc1 ZINC000785743283 1130052107 /nfs/dbraw/zinc/05/21/07/1130052107.db2.gz LNIGEQVXPUGXPA-CABCVRRESA-N 0 0 277.408 3.727 20 10 CHCDRN CCOc1ccc(N(CC)Cc2ncccc2C)cc1 ZINC000772201089 1130012160 /nfs/dbraw/zinc/01/21/60/1130012160.db2.gz PFBSHRGRMXDELO-UHFFFAOYSA-N 0 0 270.376 3.815 20 10 CHCDRN COc1cc(C)cc(NCc2ccc(N(C)C)cc2)c1C ZINC000785546130 1130038786 /nfs/dbraw/zinc/03/87/86/1130038786.db2.gz YRDLINSSWDIOIV-UHFFFAOYSA-N 0 0 284.403 3.990 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000796893446 1130055770 /nfs/dbraw/zinc/05/57/70/1130055770.db2.gz ZBIITAIWVUAFCS-JQWIXIFHSA-N 0 0 273.298 3.760 20 10 CHCDRN Cn1ccc2ncc(-c3cnc4ccccc4c3)cc21 ZINC001239795440 1130111332 /nfs/dbraw/zinc/11/13/32/1130111332.db2.gz YBQVYJNQAAGVRG-UHFFFAOYSA-N 0 0 259.312 3.789 20 10 CHCDRN CN(C)c1ccc(OCc2ccn(C3CCCC3)n2)cc1 ZINC000786866304 1130120123 /nfs/dbraw/zinc/12/01/23/1130120123.db2.gz VOZRIBNAWAJVNQ-UHFFFAOYSA-N 0 0 285.391 3.643 20 10 CHCDRN CC[C@H](N[C@@H](C)c1ccc(C)cc1O)C(F)(F)F ZINC000786974160 1130123253 /nfs/dbraw/zinc/12/32/53/1130123253.db2.gz NTKFLEFDWDAKMD-CABZTGNLSA-N 0 0 261.287 3.692 20 10 CHCDRN Cc1cscc1C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000786925499 1130123321 /nfs/dbraw/zinc/12/33/21/1130123321.db2.gz IELGCJXSXAKXRN-SECBINFHSA-N 0 0 283.343 3.891 20 10 CHCDRN C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1[O-] ZINC000903266199 1130140318 /nfs/dbraw/zinc/14/03/18/1130140318.db2.gz WAAOSXOANGGBQY-XUJVJEKNSA-N 0 0 297.826 3.637 20 10 CHCDRN CN(Cc1cc(Cl)cs1)c1ccc2c(c1)OCO2 ZINC000787273920 1130144441 /nfs/dbraw/zinc/14/44/41/1130144441.db2.gz WRROUUAAIRKMCY-UHFFFAOYSA-N 0 0 281.764 3.767 20 10 CHCDRN FC(F)Oc1ccc2c(c1)CCCN2C[C@@H]1CCSC1 ZINC000787272127 1130144881 /nfs/dbraw/zinc/14/48/81/1130144881.db2.gz OHCVKCFEYODKDD-NSHDSACASA-N 0 0 299.386 3.794 20 10 CHCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1(C)CCCC1 ZINC000787337698 1130148298 /nfs/dbraw/zinc/14/82/98/1130148298.db2.gz PGIXRFUSKWQDNG-UHFFFAOYSA-N 0 0 271.763 3.949 20 10 CHCDRN CCCC(C)(C)CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000787443172 1130149917 /nfs/dbraw/zinc/14/99/17/1130149917.db2.gz BBNOXKLHBNEWFW-LBPRGKRZSA-N 0 0 293.407 3.794 20 10 CHCDRN Cc1cnc(C)c(-c2ccn(Cc3ccccc3)c(=O)c2)c1 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/nfs/dbraw/zinc/69/20/90/1130692090.db2.gz MLVYXTSQKSVATE-UHFFFAOYSA-N 0 0 292.338 3.600 20 10 CHCDRN Cc1ccc(C)c(NC(=S)NNc2ccccc2F)c1 ZINC000812475072 1130693954 /nfs/dbraw/zinc/69/39/54/1130693954.db2.gz RXAFJFFZKZHBQG-UHFFFAOYSA-N 0 0 289.379 3.756 20 10 CHCDRN C[C@H](NC(=O)C1CC(C(C)(C)C)C1)c1ccccc1O ZINC000827960680 1130694114 /nfs/dbraw/zinc/69/41/14/1130694114.db2.gz VIJVTJIEMNXWFZ-HIFPTAJRSA-N 0 0 275.392 3.642 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(C3CC3)C2)cc1 ZINC000812648322 1130706602 /nfs/dbraw/zinc/70/66/02/1130706602.db2.gz CJJVFIAXNLSYJU-UHFFFAOYSA-N 0 0 294.398 3.576 20 10 CHCDRN O=C(Nc1cccc(C2CCC2)c1)C1=CC(=O)CS1 ZINC000812659092 1130707477 /nfs/dbraw/zinc/70/74/77/1130707477.db2.gz FXUKWBUNIILHES-UHFFFAOYSA-N 0 0 273.357 3.974 20 10 CHCDRN CCC1([NH2+]Cc2cc(C)cc(Br)c2[O-])CCC1 ZINC000781633092 1130731972 /nfs/dbraw/zinc/73/19/72/1130731972.db2.gz PSYVCZJKRCFPTD-UHFFFAOYSA-N 0 0 298.224 3.885 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[N@H+]2CCCC[C@@H]2C)c1 ZINC000781895504 1130745166 /nfs/dbraw/zinc/74/51/66/1130745166.db2.gz UHGJYEFPENYHIO-NSHDSACASA-N 0 0 298.224 3.838 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC2(C)C)c1 ZINC000781904184 1130747298 /nfs/dbraw/zinc/74/72/98/1130747298.db2.gz FDVYMRCTNRSKNO-UHFFFAOYSA-N 0 0 298.224 3.838 20 10 CHCDRN Cc1ccc(O)c(CNc2cnc3c(c2)CCCC3)c1 ZINC000782216902 1130763437 /nfs/dbraw/zinc/76/34/37/1130763437.db2.gz KHJUNHLUYXCSOW-UHFFFAOYSA-N 0 0 268.360 3.587 20 10 CHCDRN CC(C)(C)c1ccc(CN2Cc3cccnc3C2)c(O)c1 ZINC001235673942 1130766883 /nfs/dbraw/zinc/76/68/83/1130766883.db2.gz BQLCIOJWJCGVJW-UHFFFAOYSA-N 0 0 282.387 3.601 20 10 CHCDRN CN(Cc1cscn1)Cc1ccc(C(C)(C)C)cc1O ZINC001235679674 1130768579 /nfs/dbraw/zinc/76/85/79/1130768579.db2.gz QNUHSCCHFVHDGN-UHFFFAOYSA-N 0 0 290.432 3.778 20 10 CHCDRN Cc1cc(CN2Cc3ccc(F)cc3C2)ccc1N(C)C ZINC001139672895 1130778687 /nfs/dbraw/zinc/77/86/87/1130778687.db2.gz LYDHJCQMORHPOQ-UHFFFAOYSA-N 0 0 284.378 3.716 20 10 CHCDRN Cc1ccc(C(=O)NCc2ccccc2O)c(Cl)c1C ZINC000783589949 1130840346 /nfs/dbraw/zinc/84/03/46/1130840346.db2.gz RCVXLINSDGHGAT-UHFFFAOYSA-N 0 0 289.762 3.592 20 10 CHCDRN COc1cccc(CN(C)c2cc(C)ccc2C)c1O ZINC000783667721 1130846055 /nfs/dbraw/zinc/84/60/55/1130846055.db2.gz JQYPTYWBXIVBAC-UHFFFAOYSA-N 0 0 271.360 3.654 20 10 CHCDRN Cc1ccncc1/C=C/C(=O)N1CCCc2cccc(F)c21 ZINC000783861895 1130860186 /nfs/dbraw/zinc/86/01/86/1130860186.db2.gz ASLPQXCUQXVGSY-BQYQJAHWSA-N 0 0 296.345 3.522 20 10 CHCDRN Cc1cccc2sc(Nc3ccc(N)cc3)nc21 ZINC001159113730 1130864349 /nfs/dbraw/zinc/86/43/49/1130864349.db2.gz UYGNFMDRBZYKRU-UHFFFAOYSA-N 0 0 255.346 3.931 20 10 CHCDRN Cc1cccc([C@H](C)OC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000784286426 1130896620 /nfs/dbraw/zinc/89/66/20/1130896620.db2.gz LBDKKVWBZGLKIJ-JWJUJFCLSA-N 0 0 298.338 3.724 20 10 CHCDRN Cc1cccc([C@@H](C)OC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000784286425 1130897146 /nfs/dbraw/zinc/89/71/46/1130897146.db2.gz LBDKKVWBZGLKIJ-FNOHHLHBSA-N 0 0 298.338 3.724 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CC[C@H](SC)C1)c1ccc(F)cc1[O-] ZINC000796774363 1130931065 /nfs/dbraw/zinc/93/10/65/1130931065.db2.gz DPTQSCINAJKZCA-DYEKYZERSA-N 0 0 283.412 3.856 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000796819579 1130934780 /nfs/dbraw/zinc/93/47/80/1130934780.db2.gz ORPGJUZHADTIGO-LEWSCRJBSA-N 0 0 251.345 3.761 20 10 CHCDRN CC[C@@H]([NH2+]CC1(C2CC2)CC1)c1ccc(F)cc1[O-] ZINC000796841100 1130937652 /nfs/dbraw/zinc/93/76/52/1130937652.db2.gz QPFMJPLZUFUINZ-CQSZACIVSA-N 0 0 263.356 3.762 20 10 CHCDRN CC[C@@H]([NH2+]CCSCC(C)C)c1ccc(F)cc1[O-] ZINC000796847172 1130938540 /nfs/dbraw/zinc/93/85/40/1130938540.db2.gz LCBARPRCBXITTH-CQSZACIVSA-N 0 0 285.428 3.961 20 10 CHCDRN CC[C@H]([NH2+][C@@H](CC)[C@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000796850405 1130938594 /nfs/dbraw/zinc/93/85/94/1130938594.db2.gz ZNYNRFTUDUBPPV-OFQRWUPVSA-N 0 0 281.371 3.530 20 10 CHCDRN CC[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796857697 1130941110 /nfs/dbraw/zinc/94/11/10/1130941110.db2.gz SZAMFJULTHKZEI-NDPMZMCLSA-N 0 0 281.371 3.528 20 10 CHCDRN CC[C@H](Nc1ccc2c(c1)ncn2C)c1ccc(F)cc1O ZINC000796927961 1130946506 /nfs/dbraw/zinc/94/65/06/1130946506.db2.gz YJRZJLBVZDNBSD-AWEZNQCLSA-N 0 0 299.349 3.981 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(F)cc1[O-] ZINC000796932813 1130947150 /nfs/dbraw/zinc/94/71/50/1130947150.db2.gz LUZKSJONJACTGS-JSGCOSHPSA-N 0 0 283.412 3.858 20 10 CHCDRN CC[C@@H](Nc1cnn(C)c1C1CC1)c1ccc(F)cc1O ZINC000796944614 1130947699 /nfs/dbraw/zinc/94/76/99/1130947699.db2.gz YJKKMIIQCXUHAP-CYBMUJFWSA-N 0 0 289.354 3.705 20 10 CHCDRN CCc1ccc2c(c1)CCN2C(=O)/C=C/c1cccnc1C ZINC001134825720 1130949561 /nfs/dbraw/zinc/94/95/61/1130949561.db2.gz WHOKJRQSMXJWQC-VQHVLOKHSA-N 0 0 292.382 3.555 20 10 CHCDRN COc1ccc2c(c1)CCCN2Cc1cccc(F)c1 ZINC000797719582 1131000917 /nfs/dbraw/zinc/00/09/17/1131000917.db2.gz AFVIPOPAMPMKGF-UHFFFAOYSA-N 0 0 271.335 3.787 20 10 CHCDRN CCc1ccc(C[N@H+](C)CCc2cccc(OC)c2)c(O)c1 ZINC001236795269 1131008789 /nfs/dbraw/zinc/00/87/89/1131008789.db2.gz SSXAXYJTNFSAGY-UHFFFAOYSA-N 0 0 299.414 3.638 20 10 CHCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001236800811 1131010798 /nfs/dbraw/zinc/01/07/98/1131010798.db2.gz YQWFWMGAOTXFKH-WCBMZHEXSA-N 0 0 272.175 3.683 20 10 CHCDRN COc1cc(O)c(CN2Cc3ccccc3C2)c(Cl)c1 ZINC001236804383 1131010928 /nfs/dbraw/zinc/01/09/28/1131010928.db2.gz RPWXYUMIYBPXIT-UHFFFAOYSA-N 0 0 289.762 3.570 20 10 CHCDRN COc1ccc(C[N@H+](C)CC(C)(C)C)c([O-])c1Cl ZINC001236812506 1131011490 /nfs/dbraw/zinc/01/14/90/1131011490.db2.gz YENPOQPGWFTVON-UHFFFAOYSA-N 0 0 271.788 3.532 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNC(=O)CC(C)(C)C1CC1 ZINC000815629450 1131012392 /nfs/dbraw/zinc/01/23/92/1131012392.db2.gz DNISMPBIZCYITM-UHFFFAOYSA-N 0 0 288.435 3.504 20 10 CHCDRN C[C@H](NCC(C)(F)F)c1cc2c(cc1O)CCCC2 ZINC000815644501 1131015392 /nfs/dbraw/zinc/01/53/92/1131015392.db2.gz DAOHLFMXXCXXJR-JTQLQIEISA-N 0 0 269.335 3.577 20 10 CHCDRN C[C@]1(F)CC[N@H+](Cc2cc3ccccc3cc2O)C[C@H]1F ZINC001236827188 1131015464 /nfs/dbraw/zinc/01/54/64/1131015464.db2.gz QUHRSKCUMMJNRI-SJORKVTESA-N 0 0 291.341 3.817 20 10 CHCDRN Cc1cncc(/C=C/C(=O)N2CCCCc3sccc32)c1 ZINC000798047521 1131023753 /nfs/dbraw/zinc/02/37/53/1131023753.db2.gz UXXKXSOCGNEFCI-AATRIKPKSA-N 0 0 298.411 3.834 20 10 CHCDRN COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)C(C)(C)C)c1 ZINC000815835228 1131026777 /nfs/dbraw/zinc/02/67/77/1131026777.db2.gz NQMVVINCMWKRKO-NSHDSACASA-N 0 0 293.407 3.650 20 10 CHCDRN CSC[C@@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000798181866 1131028029 /nfs/dbraw/zinc/02/80/29/1131028029.db2.gz AOUQHIUNKHORJN-BDAKNGLRSA-N 0 0 293.354 3.813 20 10 CHCDRN CC(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCCO3)c(O)c1 ZINC001237046673 1131040713 /nfs/dbraw/zinc/04/07/13/1131040713.db2.gz VIJVXCHODZTHRA-SFHVURJKSA-N 0 0 289.419 3.661 20 10 CHCDRN C[C@]1(CF)CC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237076940 1131046092 /nfs/dbraw/zinc/04/60/92/1131046092.db2.gz AXNUZIPNHGQRRU-CYBMUJFWSA-N 0 0 292.181 3.881 20 10 CHCDRN CN(Cc1cccc(F)c1)Cc1c(O)ccc(F)c1Cl ZINC001237119267 1131053025 /nfs/dbraw/zinc/05/30/25/1131053025.db2.gz CPJJPOWLFOEZFM-UHFFFAOYSA-N 0 0 297.732 3.956 20 10 CHCDRN Oc1ccc(F)c(Cl)c1C[N@@H+]1CC2CCC1CC2 ZINC001237127043 1131056672 /nfs/dbraw/zinc/05/66/72/1131056672.db2.gz SPCJSIHKHITJAD-UHFFFAOYSA-N 0 0 269.747 3.559 20 10 CHCDRN C[N@H+](Cc1ccccc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000816478262 1131097104 /nfs/dbraw/zinc/09/71/04/1131097104.db2.gz ZWZIIBYEXJNJSV-UHFFFAOYSA-N 0 0 279.742 3.817 20 10 CHCDRN C[N@H+](CCC1CCOCC1)Cc1ccc2ccccc2c1O ZINC000816514403 1131103627 /nfs/dbraw/zinc/10/36/27/1131103627.db2.gz WWTULPNHSKTZAX-UHFFFAOYSA-N 0 0 299.414 3.794 20 10 CHCDRN CCC[C@H](CC)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816548698 1131106966 /nfs/dbraw/zinc/10/69/66/1131106966.db2.gz PUVJJZPGSZHTMB-JTQLQIEISA-N 0 0 259.752 3.853 20 10 CHCDRN OCc1cccc(NCc2ccc3ccccc3c2O)c1 ZINC000816586245 1131108782 /nfs/dbraw/zinc/10/87/82/1131108782.db2.gz DKDDYNZGMDUXRQ-UHFFFAOYSA-N 0 0 279.339 3.650 20 10 CHCDRN Cc1noc(C)c1[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816551913 1131109282 /nfs/dbraw/zinc/10/92/82/1131109282.db2.gz ULYAILNCRQLEEQ-ZETCQYMHSA-N 0 0 298.745 3.640 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000816556194 1131110217 /nfs/dbraw/zinc/11/02/17/1131110217.db2.gz CANNSPSAKDKROZ-VIFPVBQESA-N 0 0 293.716 3.852 20 10 CHCDRN CSCCCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816574055 1131112994 /nfs/dbraw/zinc/11/29/94/1131112994.db2.gz VDWMYGXYHCLJFA-UHFFFAOYSA-N 0 0 291.819 3.808 20 10 CHCDRN CCCC[C@@H](C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000799923168 1131115835 /nfs/dbraw/zinc/11/58/35/1131115835.db2.gz CWTPNVYPGGZEFZ-CQSZACIVSA-N 0 0 288.435 3.512 20 10 CHCDRN CCCC[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000799937802 1131116052 /nfs/dbraw/zinc/11/60/52/1131116052.db2.gz GLWJKJLBGSBVOG-CYBMUJFWSA-N 0 0 276.424 3.504 20 10 CHCDRN O=C(CSc1ncc(Cl)s1)Nc1ccccc1 ZINC000799970522 1131117549 /nfs/dbraw/zinc/11/75/49/1131117549.db2.gz PXGGARZCNXPFEF-UHFFFAOYSA-N 0 0 284.793 3.527 20 10 CHCDRN Cc1ncccc1C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC001237623098 1131119166 /nfs/dbraw/zinc/11/91/66/1131119166.db2.gz HJAKSBVNMHCVQZ-UHFFFAOYSA-N 0 0 294.757 3.520 20 10 CHCDRN CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001237622275 1131119833 /nfs/dbraw/zinc/11/98/33/1131119833.db2.gz POFVXLNITNOZIW-GFCCVEGCSA-N 0 0 271.763 3.949 20 10 CHCDRN Cc1ccc([N+](=O)[O-])cc1Nc1ccc2c(c1)CCN2 ZINC001159523317 1131125868 /nfs/dbraw/zinc/12/58/68/1131125868.db2.gz VGUXEEOPFRNSFI-UHFFFAOYSA-N 0 0 269.304 3.615 20 10 CHCDRN C[N@H+](Cc1cc(F)cc(Cl)c1[O-])CC(C)(C)C ZINC001237798704 1131140332 /nfs/dbraw/zinc/14/03/32/1131140332.db2.gz LTTMAKRVFJJBCV-UHFFFAOYSA-N 0 0 259.752 3.663 20 10 CHCDRN CC(C)[C@@H]1CCC[N@@H+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237805969 1131142938 /nfs/dbraw/zinc/14/29/38/1131142938.db2.gz PSPZUOZRBAXDIQ-ZDUSSCGKSA-N 0 0 271.763 3.805 20 10 CHCDRN Cc1cc(F)cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1O ZINC001238065815 1131166784 /nfs/dbraw/zinc/16/67/84/1131166784.db2.gz BJUHSKKXESYRQB-DOMZBBRYSA-N 0 0 263.356 3.604 20 10 CHCDRN CCN1C(=O)/C(=C/c2ccc(C)c(C)c2)SC1=S ZINC000209180893 1131172188 /nfs/dbraw/zinc/17/21/88/1131172188.db2.gz NFWSKWVUVTUPIS-WQLSENKSSA-N 0 0 277.414 3.525 20 10 CHCDRN CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(Cl)ccc2O)CCO1 ZINC000817587415 1131173875 /nfs/dbraw/zinc/17/38/75/1131173875.db2.gz WLHNXCOBEADBRV-KGYLQXTDSA-N 0 0 283.799 3.654 20 10 CHCDRN CS/C=C\C(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817760712 1131184134 /nfs/dbraw/zinc/18/41/34/1131184134.db2.gz FPMKRTPTPLHQCP-FPLPWBNLSA-N 0 0 275.373 3.577 20 10 CHCDRN Nc1ccc(CCN[C@H](c2ccccc2)C(F)(F)F)cc1 ZINC000817958837 1131191077 /nfs/dbraw/zinc/19/10/77/1131191077.db2.gz ZLPXFCHZUOKDSS-OAHLLOKOSA-N 0 0 294.320 3.705 20 10 CHCDRN CO[C@H](CSc1ncc(-c2ccccc2)n1C)C1CC1 ZINC000818064749 1131201118 /nfs/dbraw/zinc/20/11/18/1131201118.db2.gz GIQNJJKGYPHKRT-OAHLLOKOSA-N 0 0 288.416 3.604 20 10 CHCDRN CCCN(Cc1ccc(C)cc1)C(=O)C1=CC(=O)CS1 ZINC001136136268 1131210338 /nfs/dbraw/zinc/21/03/38/1131210338.db2.gz HKGAFHGDEPTYFI-UHFFFAOYSA-N 0 0 289.400 3.815 20 10 CHCDRN CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(Cl)c1[O-] ZINC000818358238 1131211323 /nfs/dbraw/zinc/21/13/23/1131211323.db2.gz DSSCQPSSRVVPDC-FBKDDSFISA-N 0 0 265.784 3.885 20 10 CHCDRN CC[C@@H](C)[C@@H](CN1CCCCc2cc(OC)ccc21)OC ZINC001206090952 1131219937 /nfs/dbraw/zinc/21/99/37/1131219937.db2.gz DLIDURXOSIGYDI-RDTXWAMCSA-N 0 0 291.435 3.899 20 10 CHCDRN Cn1cc(CSc2ncc(Cl)s2)c(C(F)F)n1 ZINC001118479851 1131228575 /nfs/dbraw/zinc/22/85/75/1131228575.db2.gz WBVYUIFJLXWWFF-UHFFFAOYSA-N 0 0 295.767 3.760 20 10 CHCDRN Cc1ccc(C[N@@H+](C)Cc2c([O-])cccc2F)cc1C ZINC001137839603 1131420969 /nfs/dbraw/zinc/42/09/69/1131420969.db2.gz FKLDZJXNZWPKOP-UHFFFAOYSA-N 0 0 273.351 3.780 20 10 CHCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001137840046 1131421268 /nfs/dbraw/zinc/42/12/68/1131421268.db2.gz QADPKQZEFBXPNW-CHWSQXEVSA-N 0 0 263.356 3.543 20 10 CHCDRN CC[C@@H]1CCC[C@H]1C(=O)NCCCSc1nccs1 ZINC000823298306 1131421968 /nfs/dbraw/zinc/42/19/68/1131421968.db2.gz POLPJCTXTGJRRK-VXGBXAGGSA-N 0 0 298.477 3.568 20 10 CHCDRN C[N@H+](Cc1c([O-])cccc1F)[C@@H]1CCc2ccccc21 ZINC001137841323 1131422093 /nfs/dbraw/zinc/42/20/93/1131422093.db2.gz AHRCEZINRBGEPZ-MRXNPFEDSA-N 0 0 271.335 3.651 20 10 CHCDRN CC(C)CCCC(=O)NCCCSc1nccs1 ZINC000823297321 1131422112 /nfs/dbraw/zinc/42/21/12/1131422112.db2.gz BQRZFWKIBLXHJW-UHFFFAOYSA-N 0 0 286.466 3.568 20 10 CHCDRN COC(=O)c1cnc(SCCCc2ccsc2)s1 ZINC000829680738 1131429274 /nfs/dbraw/zinc/42/92/74/1131429274.db2.gz DLCIZBDLIJSILT-UHFFFAOYSA-N 0 0 299.442 3.716 20 10 CHCDRN COc1ccccc1[C@@H](C)[N@H+](C)Cc1cccc(F)c1[O-] ZINC001138128764 1131470060 /nfs/dbraw/zinc/47/00/60/1131470060.db2.gz YQXZCWMTTGEVMX-GFCCVEGCSA-N 0 0 289.350 3.733 20 10 CHCDRN CC(C)N(Cc1ccccc1F)C(=O)C1=CC(=O)CS1 ZINC000824477555 1131470686 /nfs/dbraw/zinc/47/06/86/1131470686.db2.gz CJRJICAIDBEDIG-UHFFFAOYSA-N 0 0 293.363 3.644 20 10 CHCDRN COc1ccc(N(Cc2ccc(F)cn2)CC2CC2)cc1 ZINC000831587775 1131491077 /nfs/dbraw/zinc/49/10/77/1131491077.db2.gz LLDIJIMQVMVPPO-UHFFFAOYSA-N 0 0 286.350 3.646 20 10 CHCDRN C[C@@H]1CCN(Cc2ccc3c(c2)CCCN3C)CC1(F)F ZINC001138355049 1131494229 /nfs/dbraw/zinc/49/42/29/1131494229.db2.gz ZZCBMENPQAMXPJ-CYBMUJFWSA-N 0 0 294.389 3.546 20 10 CHCDRN CCc1cccc(CNc2cccc(OC)c2F)c1O ZINC000689951154 1131507597 /nfs/dbraw/zinc/50/75/97/1131507597.db2.gz FYWFOROYEIAUBA-UHFFFAOYSA-N 0 0 275.323 3.714 20 10 CHCDRN CCN(CC)c1ccc(CNc2cc(COC)ccn2)cc1 ZINC000844708652 1131593978 /nfs/dbraw/zinc/59/39/78/1131593978.db2.gz SRXVLVBHAATDEV-UHFFFAOYSA-N 0 0 299.418 3.686 20 10 CHCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H]1CC2CCC1CC2 ZINC001203007086 1131669646 /nfs/dbraw/zinc/66/96/46/1131669646.db2.gz YCPFOCYGALUTIN-QZLRTXKQSA-N 0 0 295.373 3.975 20 10 CHCDRN Cc1ccc(C)c(CN2CCCCC(F)(F)C2)c1O ZINC001140178701 1131673443 /nfs/dbraw/zinc/67/34/43/1131673443.db2.gz VBZNHYYIGHKTKR-UHFFFAOYSA-N 0 0 269.335 3.630 20 10 CHCDRN Cc1ccc(C)c(C[N@H+](C)Cc2ccc(Cl)nc2)c1O ZINC001140184536 1131674411 /nfs/dbraw/zinc/67/44/11/1131674411.db2.gz YLGQJDXAFWYODY-UHFFFAOYSA-N 0 0 290.794 3.689 20 10 CHCDRN CCOc1cccc(N[C@H](C)c2cccc(OC)c2O)c1 ZINC000846157725 1131692309 /nfs/dbraw/zinc/69/23/09/1131692309.db2.gz FNVOHHOKDIPHAU-GFCCVEGCSA-N 0 0 287.359 3.973 20 10 CHCDRN COc1cccc([C@@H](C)Nc2cccc3c2CCO3)c1O ZINC000846167384 1131692844 /nfs/dbraw/zinc/69/28/44/1131692844.db2.gz JBSQFWJTXVFEPX-LLVKDONJSA-N 0 0 285.343 3.509 20 10 CHCDRN COc1cccc(N[C@@H](C)c2cccc(OC)c2O)c1 ZINC000846159397 1131693051 /nfs/dbraw/zinc/69/30/51/1131693051.db2.gz OAUBAIIJYYAKRK-NSHDSACASA-N 0 0 273.332 3.583 20 10 CHCDRN CSc1ccc(N[C@@H]2CCc3cccc(O)c32)nc1 ZINC000834730319 1131699100 /nfs/dbraw/zinc/69/91/00/1131699100.db2.gz UVMSTLKTIAVIDQ-GFCCVEGCSA-N 0 0 272.373 3.609 20 10 CHCDRN CSc1ccc(N[C@H]2CCc3cccc(O)c32)nc1 ZINC000834730321 1131699249 /nfs/dbraw/zinc/69/92/49/1131699249.db2.gz UVMSTLKTIAVIDQ-LBPRGKRZSA-N 0 0 272.373 3.609 20 10 CHCDRN C[C@@H](C1CC1)n1cc(N[C@H]2CCc3cccc(O)c32)cn1 ZINC000834774537 1131704410 /nfs/dbraw/zinc/70/44/10/1131704410.db2.gz QHEFNTQNXLCFRB-NHYWBVRUSA-N 0 0 283.375 3.659 20 10 CHCDRN Oc1cccc2c1[C@H](Nc1cc3c(c[nH+]1)CCCC3)CC2 ZINC000834807406 1131706881 /nfs/dbraw/zinc/70/68/81/1131706881.db2.gz PBYAUAUFSRYOJL-OAHLLOKOSA-N 0 0 280.371 3.765 20 10 CHCDRN CC[C@H]([NH2+]C[C@@](C)(CC)OC)c1cccc(Cl)c1[O-] ZINC000834882022 1131717073 /nfs/dbraw/zinc/71/70/73/1131717073.db2.gz HWTQPAUVVRFYSG-DZGCQCFKSA-N 0 0 285.815 3.901 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@](C)(CC)OC)c1cccc(Cl)c1[O-] ZINC000834882024 1131717143 /nfs/dbraw/zinc/71/71/43/1131717143.db2.gz HWTQPAUVVRFYSG-UKRRQHHQSA-N 0 0 285.815 3.901 20 10 CHCDRN CN(CC[C@H]1CCCO1)c1ccc(-c2nccs2)cc1 ZINC000846753860 1131721850 /nfs/dbraw/zinc/72/18/50/1131721850.db2.gz BEUMOQUQGMROHZ-OAHLLOKOSA-N 0 0 288.416 3.815 20 10 CHCDRN CN(C)c1ccc(CNc2cncc(C(F)F)c2)cc1 ZINC000846745618 1131726822 /nfs/dbraw/zinc/72/68/22/1131726822.db2.gz KMGCJQGAHFHTMZ-UHFFFAOYSA-N 0 0 277.318 3.697 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)[C@@H](OC)C1CC1)c1cccc(Cl)c1[O-] ZINC000834903898 1131728767 /nfs/dbraw/zinc/72/87/67/1131728767.db2.gz MBUANVJCEUDMHA-FUEDEBDSSA-N 0 0 297.826 3.900 20 10 CHCDRN C[N@H+](Cc1ccccc1F)Cc1c(O)ccc2ccncc21 ZINC000834924875 1131734719 /nfs/dbraw/zinc/73/47/19/1131734719.db2.gz VDVKQQCTHUMGLM-UHFFFAOYSA-N 0 0 296.345 3.712 20 10 CHCDRN Oc1cc(Cl)ccc1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001140463260 1131749568 /nfs/dbraw/zinc/74/95/68/1131749568.db2.gz YFGJJPNHSMJACI-PHIMTYICSA-N 0 0 287.737 3.523 20 10 CHCDRN C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)[C@@H]1C ZINC001140466457 1131752554 /nfs/dbraw/zinc/75/25/54/1131752554.db2.gz GKHMXCQJJMZCSA-GHMZBOCLSA-N 0 0 253.773 3.666 20 10 CHCDRN CN(C)c1ccc(O[C@@H]2CCc3ccccc32)cc1 ZINC001227938917 1131772137 /nfs/dbraw/zinc/77/21/37/1131772137.db2.gz HGRIYQLKUQRRLJ-QGZVFWFLSA-N 0 0 253.345 3.819 20 10 CHCDRN CN(C)c1ccc(OC[C@H]2CCc3ccccc3O2)cc1 ZINC001227941895 1131772972 /nfs/dbraw/zinc/77/29/72/1131772972.db2.gz YXWFBBZACPEZBH-QGZVFWFLSA-N 0 0 283.371 3.525 20 10 CHCDRN CC[C@H](Nc1cnn(CC2CC2)c1)c1ccc(F)cc1O ZINC000796888960 1131792816 /nfs/dbraw/zinc/79/28/16/1131792816.db2.gz CNTRUYXWEPMXPP-HNNXBMFYSA-N 0 0 289.354 3.701 20 10 CHCDRN COc1ccc(N(Cc2ccncc2F)CC(C)C)cc1 ZINC001171279474 1131792879 /nfs/dbraw/zinc/79/28/79/1131792879.db2.gz UKCUVLRGURVEDU-UHFFFAOYSA-N 0 0 288.366 3.892 20 10 CHCDRN C[C@H]1Cc2ccccc2C[N@@H+]1Cc1c([O-])cc(F)cc1F ZINC001140584538 1131808733 /nfs/dbraw/zinc/80/87/33/1131808733.db2.gz WCGVDMXGMYWWTR-NSHDSACASA-N 0 0 289.325 3.617 20 10 CHCDRN C[N@H+](Cc1c([O-])cc(F)cc1F)[C@@H]1CCc2ccccc21 ZINC001140584689 1131810960 /nfs/dbraw/zinc/81/09/60/1131810960.db2.gz BYKWLMLAKXSGSV-MRXNPFEDSA-N 0 0 289.325 3.790 20 10 CHCDRN CC1(C)CCC[C@H]1C(=O)NCCCSc1nccs1 ZINC000772981198 1131826485 /nfs/dbraw/zinc/82/64/85/1131826485.db2.gz GAQKOYJKJWPXPB-NSHDSACASA-N 0 0 298.477 3.568 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)c2cc3c(cccc3C)o2)c1 ZINC001147961787 1131840471 /nfs/dbraw/zinc/84/04/71/1131840471.db2.gz IZZKUPCQZYVRDA-UHFFFAOYSA-N 0 0 295.338 3.685 20 10 CHCDRN Cc1cccc(C)c1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001148462433 1131856334 /nfs/dbraw/zinc/85/63/34/1131856334.db2.gz YXYUOAGRGYDIBP-UHFFFAOYSA-N 0 0 296.330 3.718 20 10 CHCDRN C[C@H](NC(=O)NC1C[C@@H](C)C[C@H](C)C1)c1ccccc1O ZINC001228374016 1131870325 /nfs/dbraw/zinc/87/03/25/1131870325.db2.gz DFZUBCLNJRLPNK-AVGNSLFASA-N 0 0 290.407 3.577 20 10 CHCDRN CC(C)C[C@@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000772998334 1131909491 /nfs/dbraw/zinc/90/94/91/1131909491.db2.gz JFSQZNBENKHDBF-ZIAGYGMSSA-N 0 0 276.424 3.612 20 10 CHCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1ccno1 ZINC001171355299 1131910663 /nfs/dbraw/zinc/91/06/63/1131910663.db2.gz XKANITPZWDKQJV-CQSZACIVSA-N 0 0 286.375 3.518 20 10 CHCDRN CCC[C@H](NC(=O)NCc1cc(C)ccc1O)C(C)(C)C ZINC001228576273 1131913276 /nfs/dbraw/zinc/91/32/76/1131913276.db2.gz IVIMDQSAGBSOLB-HNNXBMFYSA-N 0 0 292.423 3.715 20 10 CHCDRN Cc1nc([C@H](C)NCc2ccc(N(C)C)c(C)c2)cs1 ZINC000773001426 1131916481 /nfs/dbraw/zinc/91/64/81/1131916481.db2.gz SENOKRMVIIDGEM-LBPRGKRZSA-N 0 0 289.448 3.677 20 10 CHCDRN CC[C@H](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773010240 1131918850 /nfs/dbraw/zinc/91/88/50/1131918850.db2.gz NHWDKUKRLKXXKB-MJBXVCDLSA-N 0 0 276.424 3.612 20 10 CHCDRN Cc1cccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1C ZINC000773012557 1131918889 /nfs/dbraw/zinc/91/88/89/1131918889.db2.gz CMMHIORRMCRLDX-OAHLLOKOSA-N 0 0 296.414 3.860 20 10 CHCDRN C[C@H](NC(=O)/C=C/c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773019755 1131921008 /nfs/dbraw/zinc/92/10/08/1131921008.db2.gz ZPGYTRWQUDJOCI-HNRFISLBSA-N 0 0 294.398 3.643 20 10 CHCDRN Cc1ccc(C[N@@H+](C)Cc2ccc(F)cc2F)c(O)c1 ZINC001140958126 1131973639 /nfs/dbraw/zinc/97/36/39/1131973639.db2.gz ROCGLWYBKALCTK-UHFFFAOYSA-N 0 0 277.314 3.611 20 10 CHCDRN COCc1cccc(N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000036918170 1131980693 /nfs/dbraw/zinc/98/06/93/1131980693.db2.gz AGWGZEHYPHVRGU-LBPRGKRZSA-N 0 0 287.359 3.720 20 10 CHCDRN CC(C)c1cccc(CC(=O)N(C)Cc2ccccc2O)c1 ZINC000837468331 1132078052 /nfs/dbraw/zinc/07/80/52/1132078052.db2.gz OIYGSVORWIXIQK-UHFFFAOYSA-N 0 0 297.398 3.717 20 10 CHCDRN CC[C@@H](CC(F)F)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000837541173 1132082496 /nfs/dbraw/zinc/08/24/96/1132082496.db2.gz GKCBGTDBPQFWKC-RYUDHWBXSA-N 0 0 298.377 3.611 20 10 CHCDRN CCc1ccc([C@@H](C)C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC001171723516 1132083883 /nfs/dbraw/zinc/08/38/83/1132083883.db2.gz SJSCSHJCXOIHAO-ZIAGYGMSSA-N 0 0 297.398 3.936 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)C1CCC1 ZINC000837605757 1132088190 /nfs/dbraw/zinc/08/81/90/1132088190.db2.gz PLYKBSDVWJDFOS-CQSZACIVSA-N 0 0 289.419 3.957 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCC1(C)C ZINC000773340838 1132115766 /nfs/dbraw/zinc/11/57/66/1132115766.db2.gz NCNUXGPRZWOESZ-OAHLLOKOSA-N 0 0 289.419 3.957 20 10 CHCDRN [O-]c1c(Br)cccc1C[NH+]1CC2(C1)CCCC2 ZINC000839104442 1132180995 /nfs/dbraw/zinc/18/09/95/1132180995.db2.gz KSEJLBZNQOOMQE-UHFFFAOYSA-N 0 0 296.208 3.531 20 10 CHCDRN C[C@@]1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CC=CCC1 ZINC000839193716 1132189659 /nfs/dbraw/zinc/18/96/59/1132189659.db2.gz WCRNBLSYPCZTJX-CQSZACIVSA-N 0 0 269.747 3.773 20 10 CHCDRN Cc1nnc([C@H](C)Sc2ncc(C(C)(C)C)s2)[nH]1 ZINC000840198670 1132249054 /nfs/dbraw/zinc/24/90/54/1132249054.db2.gz BQPKGOBBDDDESV-ZETCQYMHSA-N 0 0 282.438 3.720 20 10 CHCDRN Cc1cc(N(C)C)ccc1CN1CCCC[C@@H]1c1ncc[nH]1 ZINC000840912393 1132308940 /nfs/dbraw/zinc/30/89/40/1132308940.db2.gz GGBWVBQGAHHYND-QGZVFWFLSA-N 0 0 298.434 3.511 20 10 CHCDRN COc1ccc(NCc2ccc(N(C)C)cc2C)cc1F ZINC000840923556 1132310205 /nfs/dbraw/zinc/31/02/05/1132310205.db2.gz PKCRYTGKMIDYKX-UHFFFAOYSA-N 0 0 288.366 3.821 20 10 CHCDRN COCc1ccccc1NCc1ccc(N(C)C)cc1C ZINC000840926639 1132310427 /nfs/dbraw/zinc/31/04/27/1132310427.db2.gz QQTYEGXCAFLCGZ-UHFFFAOYSA-N 0 0 284.403 3.820 20 10 CHCDRN CCc1nocc1CN(C)Cc1c(O)cc(C)cc1Cl ZINC000840948784 1132312611 /nfs/dbraw/zinc/31/26/11/1132312611.db2.gz IQJDBEMEILEXML-UHFFFAOYSA-N 0 0 294.782 3.536 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000840961960 1132312968 /nfs/dbraw/zinc/31/29/68/1132312968.db2.gz GUJRHNYIZQVNKF-ZYHUDNBSSA-N 0 0 275.726 3.555 20 10 CHCDRN CCc1ccc(NC(=O)NCCc2ccc(N)cc2)cc1C ZINC000841168377 1132332783 /nfs/dbraw/zinc/33/27/83/1132332783.db2.gz MWFXSYQIDNNGHE-UHFFFAOYSA-N 0 0 297.402 3.504 20 10 CHCDRN Cc1ccccc1C[C@@H](C)N(C)C(=O)Nc1ccc(N)cc1 ZINC000841294382 1132342317 /nfs/dbraw/zinc/34/23/17/1132342317.db2.gz AQKHYFIUPCXWLV-CQSZACIVSA-N 0 0 297.402 3.672 20 10 CHCDRN C[C@H]1CCc2ccccc2[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841296262 1132342837 /nfs/dbraw/zinc/34/28/37/1132342837.db2.gz SJBGCNQMBLCCGW-SJCJKPOMSA-N 0 0 295.386 3.714 20 10 CHCDRN Cc1ccccc1CC(C)(C)NC(=O)Nc1ccc(N)cc1 ZINC000841299641 1132343183 /nfs/dbraw/zinc/34/31/83/1132343183.db2.gz GYIDWZLAYPCRAT-UHFFFAOYSA-N 0 0 297.402 3.720 20 10 CHCDRN C[C@H](CCCC(F)(F)F)NC(=O)Nc1ccc(N)cc1 ZINC000841296755 1132343498 /nfs/dbraw/zinc/34/34/98/1132343498.db2.gz HTUZEQGDUWKKIS-SECBINFHSA-N 0 0 289.301 3.511 20 10 CHCDRN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841298860 1132343564 /nfs/dbraw/zinc/34/35/64/1132343564.db2.gz DOXLHHLUNKQETL-GUYCJALGSA-N 0 0 295.386 3.679 20 10 CHCDRN Nc1ccc(NC(=O)NC[C@@H]2CCCCC(F)(F)C2)cc1 ZINC000841298765 1132343725 /nfs/dbraw/zinc/34/37/25/1132343725.db2.gz FTIMQBXJWJKPSM-LLVKDONJSA-N 0 0 297.349 3.606 20 10 CHCDRN Cc1cc(C)cc(C[C@H](C)NC(=O)Nc2ccc(N)cc2)c1 ZINC000841300891 1132343853 /nfs/dbraw/zinc/34/38/53/1132343853.db2.gz VVTMHXPWUZLYOU-AWEZNQCLSA-N 0 0 297.402 3.638 20 10 CHCDRN CC[N@H+](Cc1ccccc1)Cc1ccc(N(C)C)cc1OC ZINC001231848466 1132378110 /nfs/dbraw/zinc/37/81/10/1132378110.db2.gz HMLWFRVIVFKTMO-UHFFFAOYSA-N 0 0 298.430 3.783 20 10 CHCDRN Cc1cc(O)c(C[N@@H+]2CCc3sccc3C2)cc1Cl ZINC001231868383 1132384414 /nfs/dbraw/zinc/38/44/14/1132384414.db2.gz URYJVPDHSHLUJH-UHFFFAOYSA-N 0 0 293.819 3.974 20 10 CHCDRN CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841751085 1132389187 /nfs/dbraw/zinc/38/91/87/1132389187.db2.gz KLNGTRADEXMGOS-IAQYHMDHSA-N 0 0 299.842 3.739 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(Cl)cc1[O-] ZINC000841750485 1132389959 /nfs/dbraw/zinc/38/99/59/1132389959.db2.gz QKIILSDBUVEHFH-ZJUUUORDSA-N 0 0 253.773 3.885 20 10 CHCDRN COCC1(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCC1 ZINC000841751230 1132390192 /nfs/dbraw/zinc/39/01/92/1132390192.db2.gz GGVLDPYAFHCHDF-NSHDSACASA-N 0 0 283.799 3.513 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CCCCS1)c1ccc(Cl)cc1[O-] ZINC000841755375 1132391582 /nfs/dbraw/zinc/39/15/82/1132391582.db2.gz ZHQDWHTZEGGNRM-CMPLNLGQSA-N 0 0 285.840 3.982 20 10 CHCDRN COCC1CCC([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841756676 1132391657 /nfs/dbraw/zinc/39/16/57/1132391657.db2.gz YUDLZCPHYPHUTE-LKSINWNRSA-N 0 0 297.826 3.901 20 10 CHCDRN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(Cl)cc1[O-] ZINC000841754235 1132392918 /nfs/dbraw/zinc/39/29/18/1132392918.db2.gz JIQZSZVAHUCXSS-GGZSPTBLSA-N 0 0 295.810 3.510 20 10 CHCDRN CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCO1 ZINC000841759620 1132394686 /nfs/dbraw/zinc/39/46/86/1132394686.db2.gz OOZUXNHEQUWSGZ-RBOXIYTFSA-N 0 0 297.826 3.900 20 10 CHCDRN C[C@@H]([NH2+][C@@H](CO)CC1CCCCC1)c1ccc(F)cc1[O-] ZINC000841763003 1132395767 /nfs/dbraw/zinc/39/57/67/1132395767.db2.gz SVZSIRNCWMXDJX-IUODEOHRSA-N 0 0 295.398 3.513 20 10 CHCDRN CSCC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841761912 1132396245 /nfs/dbraw/zinc/39/62/45/1132396245.db2.gz HRWJXQBKMDLJPX-ZJUUUORDSA-N 0 0 273.829 3.838 20 10 CHCDRN CC[N@@H+](Cc1cccc(Cl)c1[O-])Cc1ccccc1O ZINC001231912280 1132399222 /nfs/dbraw/zinc/39/92/22/1132399222.db2.gz BXFBTDNIQWUPJU-UHFFFAOYSA-N 0 0 291.778 3.773 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(F)cc1[O-] ZINC000842929455 1132477878 /nfs/dbraw/zinc/47/78/78/1132477878.db2.gz NHMOXNLWFOOUFC-CVMIBZJCSA-N 0 0 263.356 3.761 20 10 CHCDRN O=C(NCc1ccccc1O)c1cccc2sccc21 ZINC001153443108 1132594021 /nfs/dbraw/zinc/59/40/21/1132594021.db2.gz UEUVNUGMZNHWNI-UHFFFAOYSA-N 0 0 283.352 3.537 20 10 CHCDRN Oc1c(CN2CCc3occc3C2)cccc1C(F)(F)F ZINC001233419226 1132620414 /nfs/dbraw/zinc/62/04/14/1132620414.db2.gz OFZDNJALSVJCRM-UHFFFAOYSA-N 0 0 297.276 3.562 20 10 CHCDRN [O-]c1c(C[N@H+](CC2CC2)C2CC2)cccc1C(F)(F)F ZINC001233419231 1132621492 /nfs/dbraw/zinc/62/14/92/1132621492.db2.gz ORGDEWGLHXAWGS-UHFFFAOYSA-N 0 0 285.309 3.785 20 10 CHCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H]1CCC[C@@H]1C ZINC001233494252 1132627803 /nfs/dbraw/zinc/62/78/03/1132627803.db2.gz DNZKNXIZDOYWND-BONVTDFDSA-N 0 0 278.348 3.648 20 10 CHCDRN CCN(Cc1ccccc1O)c1nc(Cl)ccc1C ZINC001154882155 1132629784 /nfs/dbraw/zinc/62/97/84/1132629784.db2.gz RRCYOIVXOQGZIF-UHFFFAOYSA-N 0 0 276.767 3.776 20 10 CHCDRN CCN(Cc1ccccc1O)c1ccc(CSC)cn1 ZINC001154890728 1132630641 /nfs/dbraw/zinc/63/06/41/1132630641.db2.gz LJKZBVLPKNSYNN-UHFFFAOYSA-N 0 0 288.416 3.677 20 10 CHCDRN 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COc1ccc(O)c(CNc2ccc(C)cc2C)c1 ZINC000020085257 170987694 /nfs/dbraw/zinc/98/76/94/170987694.db2.gz SIIKYIHIKAJWHQ-UHFFFAOYSA-N 0 0 257.333 3.630 20 10 CHCDRN COc1ccc(N[C@H](C)c2cc(C)ccc2O)cc1 ZINC000035628729 172307750 /nfs/dbraw/zinc/30/77/50/172307750.db2.gz WIEBVMPURSBHGN-GFCCVEGCSA-N 0 0 257.333 3.882 20 10 CHCDRN Cc1ccc(O)c(CNc2ccc3ncccc3c2)c1 ZINC000071409256 176156633 /nfs/dbraw/zinc/15/66/33/176156633.db2.gz VTQDXYMYHLWMFJ-UHFFFAOYSA-N 0 0 264.328 3.861 20 10 CHCDRN Oc1ccccc1CNc1cccc(-c2cnco2)c1 ZINC000037779549 260116566 /nfs/dbraw/zinc/11/65/66/260116566.db2.gz JLGRGNUZOWDPLG-UHFFFAOYSA-N 0 0 266.300 3.659 20 10 CHCDRN CC(C)(C)c1cnc(SCC(=O)C2CC2)s1 ZINC000164197838 261344304 /nfs/dbraw/zinc/34/43/04/261344304.db2.gz OKHQOMDGNFRNPB-UHFFFAOYSA-N 0 0 255.408 3.512 20 10 CHCDRN COCc1ccc(C[NH2+][C@@H](C)c2cc(C)ccc2O)cc1 ZINC000184941805 262035010 /nfs/dbraw/zinc/03/50/10/262035010.db2.gz OEDLNXLLFUXCKR-AWEZNQCLSA-N 0 0 285.387 3.698 20 10 CHCDRN Oc1ccccc1CNc1ccc([C@@H]2CCOC2)cc1 ZINC000293054364 263137474 /nfs/dbraw/zinc/13/74/74/263137474.db2.gz RTQFNLDWZFMQFQ-OAHLLOKOSA-N 0 0 269.344 3.508 20 10 CHCDRN COCC[C@@H]1CCCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000368677737 267197347 /nfs/dbraw/zinc/19/73/47/267197347.db2.gz RCOYEIQSXYLFMZ-ZDUSSCGKSA-N 0 0 297.826 3.684 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184851439 327834203 /nfs/dbraw/zinc/83/42/03/327834203.db2.gz DRWGWYYJUXRXTQ-RKDXNWHRSA-N 0 0 290.190 3.529 20 10 CHCDRN COCCCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185037539 327836132 /nfs/dbraw/zinc/83/61/32/327836132.db2.gz SSILRLYUBXCJTP-VIFPVBQESA-N 0 0 292.206 3.776 20 10 CHCDRN Cc1nnc([C@H](C)N[C@@H](C)c2cc(Cl)ccc2O)s1 ZINC000274273979 328210444 /nfs/dbraw/zinc/21/04/44/328210444.db2.gz XBSCIZOHKHYCDB-YUMQZZPRSA-N 0 0 297.811 3.617 20 10 CHCDRN Cc1ccc(/C=C2\SC(=S)N(C3CCC3)C2=O)s1 ZINC000292307313 328269337 /nfs/dbraw/zinc/26/93/37/328269337.db2.gz KXFUMZUDZXXJNE-XFFZJAGNSA-N 0 0 295.454 3.810 20 10 CHCDRN Cc1c2cc(OCc3nnc(C(C)C)o3)ccc2n(C)c1C ZINC000421201643 329805553 /nfs/dbraw/zinc/80/55/53/329805553.db2.gz OXXAREQPBBXKLF-UHFFFAOYSA-N 0 0 299.374 3.881 20 10 CHCDRN CC[C@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1ccccc1O ZINC000527963793 330300886 /nfs/dbraw/zinc/30/08/86/330300886.db2.gz PKGGTVASJZQHLZ-INIZCTEOSA-N 0 0 295.386 3.520 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCCC[C@@H]1C ZINC000472239996 331533199 /nfs/dbraw/zinc/53/31/99/331533199.db2.gz JMTFMSAJFDEQCL-ZDUSSCGKSA-N 0 0 299.418 3.571 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2ncc(C3CC3)o2)cc1 ZINC000277035857 519780424 /nfs/dbraw/zinc/78/04/24/519780424.db2.gz BKFYSIFFAVHDBB-UHFFFAOYSA-N 0 0 286.375 3.976 20 10 CHCDRN CC(C)[C@H](NC(=O)NCc1ccccc1O)c1ccccc1 ZINC000299492097 519819131 /nfs/dbraw/zinc/81/91/31/519819131.db2.gz JSHLFLBELGQUMA-KRWDZBQOSA-N 0 0 298.386 3.589 20 10 CHCDRN CCC[C@@H](CCO)C[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000287886564 520702174 /nfs/dbraw/zinc/70/21/74/520702174.db2.gz YSRYBDSYGGPCBZ-SWLSCSKDSA-N 0 0 299.842 3.885 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)CC1CCCC1 ZINC000299588483 521687417 /nfs/dbraw/zinc/68/74/17/521687417.db2.gz DNXJGKVWHCJWNS-UHFFFAOYSA-N 0 0 275.392 3.711 20 10 CHCDRN CC[C@@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])OC ZINC000290091891 522550454 /nfs/dbraw/zinc/55/04/54/522550454.db2.gz HKYIOYTXZVSTBP-BDAKNGLRSA-N 0 0 292.206 3.775 20 10 CHCDRN CC[C@H]([NH2+]CC1(C)CCOCC1)c1cccc(Cl)c1[O-] ZINC000287570810 522570942 /nfs/dbraw/zinc/57/09/42/522570942.db2.gz GUNDECVDRRHRGH-AWEZNQCLSA-N 0 0 297.826 3.903 20 10 CHCDRN COCC(C)(C)CCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000290468437 522805589 /nfs/dbraw/zinc/80/55/89/522805589.db2.gz NINXRTARIJXJAQ-UHFFFAOYSA-N 0 0 285.815 3.588 20 10 CHCDRN COCc1cccc(N[C@H](C)c2ccccc2O)c1 ZINC000036918263 523081105 /nfs/dbraw/zinc/08/11/05/523081105.db2.gz YTRPCLPGXBPOKG-GFCCVEGCSA-N 0 0 257.333 3.712 20 10 CHCDRN Cc1cccc(CNc2cc(C3CC3)ccn2)c1O ZINC000290905397 524440892 /nfs/dbraw/zinc/44/08/92/524440892.db2.gz MMEHUGDEWPCJBI-UHFFFAOYSA-N 0 0 254.333 3.585 20 10 CHCDRN C[C@@H](CCC(C)(C)C)NC(=O)N(C)Cc1ccccc1O ZINC000077625313 524446059 /nfs/dbraw/zinc/44/60/59/524446059.db2.gz VGYNHEMUBVXDCB-ZDUSSCGKSA-N 0 0 292.423 3.748 20 10 CHCDRN Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000062744930 524594453 /nfs/dbraw/zinc/59/44/53/524594453.db2.gz PMSUUIQUVCCWPE-LBPRGKRZSA-N 0 0 259.324 3.691 20 10 CHCDRN COc1ccc(O)c([C@H](C)Nc2ccc(OC)c(F)c2)c1 ZINC000037290354 524773830 /nfs/dbraw/zinc/77/38/30/524773830.db2.gz ZWYGOGIVVURUBJ-JTQLQIEISA-N 0 0 291.322 3.722 20 10 CHCDRN C[C@H](Nc1ccc(N(C)C)cc1)c1ccc(F)cc1O ZINC000062745958 525653411 /nfs/dbraw/zinc/65/34/11/525653411.db2.gz RIFCLOUUZPWVEW-NSHDSACASA-N 0 0 274.339 3.770 20 10 CHCDRN Cc1ccc(/C=C2/SC(=S)N(C3CCC3)C2=O)cc1 ZINC000292268423 525960130 /nfs/dbraw/zinc/96/01/30/525960130.db2.gz GRJWQGSLVDAICA-UKTHLTGXSA-N 0 0 289.425 3.749 20 10 CHCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000279940520 526330477 /nfs/dbraw/zinc/33/04/77/526330477.db2.gz YSWCINSKRFDYLX-MRXNPFEDSA-N 0 0 289.325 3.838 20 10 CHCDRN c1cc(N2CCCCC2)ccc1CNc1nc(C2CC2)no1 ZINC000265614161 526432003 /nfs/dbraw/zinc/43/20/03/526432003.db2.gz LZTCMRXCIKTTDT-UHFFFAOYSA-N 0 0 298.390 3.549 20 10 CHCDRN c1csc(SCCCCC2CCOCC2)n1 ZINC000281055832 526583918 /nfs/dbraw/zinc/58/39/18/526583918.db2.gz SWLWRPGIXHXQPQ-UHFFFAOYSA-N 0 0 257.424 3.832 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SCOC1CCC1 ZINC000289704050 527016778 /nfs/dbraw/zinc/01/67/78/527016778.db2.gz REAZIYFVCDRUQA-UHFFFAOYSA-N 0 0 274.389 3.706 20 10 CHCDRN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)[O-])cc2)c(O)c1C ZINC001594349453 958336716 /nfs/dbraw/zinc/33/67/16/958336716.db2.gz HDZIIWWRKHYCTR-CYBMUJFWSA-N 0 0 299.370 3.558 20 10 CHCDRN C[C@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccccc1 ZINC001592706943 979181429 /nfs/dbraw/zinc/18/14/29/979181429.db2.gz OXYMNVWPWSBZEV-OLZOCXBDSA-N 0 0 299.370 3.545 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)CCCO)c1cc(Cl)c(Cl)cc1[O-] ZINC000192949842 1119340619 /nfs/dbraw/zinc/34/06/19/1119340619.db2.gz CDZDJEMBHRJCLQ-DTWKUNHWSA-N 0 0 292.206 3.511 20 10 CHCDRN Cc1ccc(NCc2cc(F)cc(F)c2O)cc1F ZINC000708487392 1119492124 /nfs/dbraw/zinc/49/21/24/1119492124.db2.gz VYVGXWMJWBKKQJ-UHFFFAOYSA-N 0 0 267.250 3.730 20 10 CHCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1cccs1 ZINC000124661211 1119999598 /nfs/dbraw/zinc/99/95/98/1119999598.db2.gz DLBYFLSGKKLCBH-SECBINFHSA-N 0 0 267.781 3.958 20 10 CHCDRN Nc1ccc(N(CCO)c2ccc(Cl)c(Cl)c2)cc1 ZINC001176541476 1121646932 /nfs/dbraw/zinc/64/69/32/1121646932.db2.gz KVRFCPFFHCCKGA-UHFFFAOYSA-N 0 0 297.185 3.706 20 10 CHCDRN CC(C)CC(=O)CCSc1ncc(Cl)s1 ZINC000850002238 1123236713 /nfs/dbraw/zinc/23/67/13/1123236713.db2.gz XJRVNYPSVUNJTR-UHFFFAOYSA-N 0 0 263.815 3.894 20 10 CHCDRN c1csc(SCc2cccc3c2CCOC3)n1 ZINC000865352573 1123973132 /nfs/dbraw/zinc/97/31/32/1123973132.db2.gz NKBNBMWHHROKKW-UHFFFAOYSA-N 0 0 263.387 3.508 20 10 CHCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000840962774 1132314379 /nfs/dbraw/zinc/31/43/79/1132314379.db2.gz NESJOQYFMGEGGM-GHMZBOCLSA-N 0 0 275.726 3.555 20 10 CHCDRN Cc1nn(C)c(C)c1N[C@@H](C)c1ccc(Cl)cc1O ZINC000841752693 1125582952 /nfs/dbraw/zinc/58/29/52/1125582952.db2.gz GFUUXGMJJGWUCD-QMMMGPOBSA-N 0 0 279.771 3.569 20 10 CHCDRN CC(C)C(C)(C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000219274497 1125675584 /nfs/dbraw/zinc/67/55/84/1125675584.db2.gz BCLKBAUGKIMSFP-LLVKDONJSA-N 0 0 253.361 3.864 20 10 CHCDRN COc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886491742 1125680121 /nfs/dbraw/zinc/68/01/21/1125680121.db2.gz OPANHAUOGGXUJG-NEPJUHHUSA-N 0 0 289.350 3.952 20 10 CHCDRN CO[C@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886508831 1125681937 /nfs/dbraw/zinc/68/19/37/1125681937.db2.gz OEWPTTQFQHSQTN-BLLLJJGKSA-N 0 0 289.350 3.570 20 10 CHCDRN COCc1cccc(N[C@H](C)c2c(O)cccc2F)c1 ZINC000886566188 1125691653 /nfs/dbraw/zinc/69/16/53/1125691653.db2.gz LFUFRNHUEZYRDC-LLVKDONJSA-N 0 0 275.323 3.851 20 10 CHCDRN CCc1cnccc1[C@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886561799 1125691670 /nfs/dbraw/zinc/69/16/70/1125691670.db2.gz JKODCZZBYJHLKW-RYUDHWBXSA-N 0 0 288.366 3.901 20 10 CHCDRN Cc1c(N[C@H](C)c2c(O)cccc2F)cnn1CC(C)C ZINC000886580807 1125692811 /nfs/dbraw/zinc/69/28/11/1125692811.db2.gz YMIYLCADLSKBRA-LLVKDONJSA-N 0 0 291.370 3.865 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1c([O-])cccc1F ZINC000886607369 1125696361 /nfs/dbraw/zinc/69/63/61/1125696361.db2.gz QLCDOXIKXVRLRJ-DOMZBBRYSA-N 0 0 293.382 3.531 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)c1c([O-])cccc1F ZINC000886607371 1125696757 /nfs/dbraw/zinc/69/67/57/1125696757.db2.gz QLCDOXIKXVRLRJ-SWLSCSKDSA-N 0 0 293.382 3.531 20 10 CHCDRN C[C@@H](Nc1cccc2c1CCO2)c1c(O)cccc1F ZINC000886605025 1125697228 /nfs/dbraw/zinc/69/72/28/1125697228.db2.gz ICZNBNFLOWRVMM-SNVBAGLBSA-N 0 0 273.307 3.639 20 10 CHCDRN Cc1csc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886618908 1125699514 /nfs/dbraw/zinc/69/95/14/1125699514.db2.gz OAYCOKISZHUOEN-JTQLQIEISA-N 0 0 265.353 3.752 20 10 CHCDRN C[C@H]([NH2+]CC(C)(C)CC(F)F)c1c([O-])cccc1F ZINC000886650022 1125702833 /nfs/dbraw/zinc/70/28/33/1125702833.db2.gz NMRPPZDXBZKKDR-VIFPVBQESA-N 0 0 275.314 3.863 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1c([O-])cccc1F ZINC000886732586 1125715201 /nfs/dbraw/zinc/71/52/01/1125715201.db2.gz KQMMFUDFFKNFGQ-QWHCGFSZSA-N 0 0 293.382 3.531 20 10 CHCDRN C[C@H]([NH2+]C1(C2CC2)CCC1)c1cc(F)cc(F)c1[O-] ZINC000886825039 1125720624 /nfs/dbraw/zinc/72/06/24/1125720624.db2.gz LFMXSQJPZDSRBJ-VIFPVBQESA-N 0 0 267.319 3.654 20 10 CHCDRN COc1cccc(CN(C)c2cccc(SC)c2)c1O ZINC000184749372 1129245112 /nfs/dbraw/zinc/24/51/12/1129245112.db2.gz SKUDQTOWJCSUIQ-UHFFFAOYSA-N 0 0 289.400 3.759 20 10 CHCDRN CC[C@H](C)CC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000790358672 1130311362 /nfs/dbraw/zinc/31/13/62/1130311362.db2.gz CFWIPEJLFKLZGI-AWEZNQCLSA-N 0 0 276.424 3.585 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)NCC1(C)CCC1 ZINC000175006947 1126776393 /nfs/dbraw/zinc/77/63/93/1126776393.db2.gz SWDOMVCIDMEKAO-UHFFFAOYSA-N 0 0 290.407 3.504 20 10 CHCDRN C[C@@]1(CC[NH2+]Cc2cccc(Cl)c2[O-])CC1(F)F ZINC000827251313 1130529742 /nfs/dbraw/zinc/52/97/42/1130529742.db2.gz GMZWTYUQNQBSGJ-GFCCVEGCSA-N 0 0 275.726 3.571 20 10 CHCDRN Cc1ncc(COc2ccc(N3CCCC3)cc2)s1 ZINC000178194201 1126810181 /nfs/dbraw/zinc/81/01/81/1126810181.db2.gz PDEVRAFVBJNKIC-UHFFFAOYSA-N 0 0 274.389 3.631 20 10 CHCDRN Cc1cc(Cc2nc(C3CC3)no2)c(C)n1-c1ccccc1 ZINC000904366020 1126850684 /nfs/dbraw/zinc/85/06/84/1126850684.db2.gz WDXVHHDXOCTUPA-UHFFFAOYSA-N 0 0 293.370 3.945 20 10 CHCDRN Cc1cc(C(=O)NCC2CC2)c(C)n1-c1ccccc1C ZINC000905156918 1126891090 /nfs/dbraw/zinc/89/10/90/1126891090.db2.gz NWHGKUWOHBOJPF-UHFFFAOYSA-N 0 0 282.387 3.542 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccncc1 ZINC000185541003 1126900588 /nfs/dbraw/zinc/90/05/88/1126900588.db2.gz MVJKWRSYELLVFW-ABAIWWIYSA-N 0 0 274.339 3.728 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)C1(C2CCCCC2)CC1 ZINC000906992311 1126970250 /nfs/dbraw/zinc/97/02/50/1126970250.db2.gz UPIQVKCBGNWQPI-UHFFFAOYSA-N 0 0 287.403 3.711 20 10 CHCDRN Clc1cccc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000149816525 1127029412 /nfs/dbraw/zinc/02/94/12/1127029412.db2.gz GPGSEVVAPZYFOZ-UHFFFAOYSA-N 0 0 287.794 3.947 20 10 CHCDRN C[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1cc(F)cc(F)c1[O-] ZINC000797069922 1130958412 /nfs/dbraw/zinc/95/84/12/1130958412.db2.gz HFINHVABHMBYAE-ZETCQYMHSA-N 0 0 295.251 3.664 20 10 CHCDRN CCN(Cc1ncc(C2CC2)o1)c1ccc(OC)cc1 ZINC000270495121 1127056241 /nfs/dbraw/zinc/05/62/41/1127056241.db2.gz GYGBIXXKPXRNNG-UHFFFAOYSA-N 0 0 272.348 3.587 20 10 CHCDRN CCc1cnc(CN(C)Cc2c(O)cccc2Cl)s1 ZINC000271166218 1127071351 /nfs/dbraw/zinc/07/13/51/1127071351.db2.gz BQLZJOUFUPUCKI-UHFFFAOYSA-N 0 0 296.823 3.697 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(N(C)C)cc1 ZINC000271429312 1127080929 /nfs/dbraw/zinc/08/09/29/1127080929.db2.gz AWFGVTZZPMBLSK-IRXDYDNUSA-N 0 0 298.434 3.594 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)NC1CC(C)C1 ZINC000283707069 1127152364 /nfs/dbraw/zinc/15/23/64/1127152364.db2.gz SWLHUHWDVQWTQX-UHFFFAOYSA-N 0 0 290.407 3.502 20 10 CHCDRN Cc1ccnc([C@@H](C)[NH2+]Cc2ccc(N3CCCC3)cc2)c1 ZINC000285651379 1127240179 /nfs/dbraw/zinc/24/01/79/1127240179.db2.gz MGPDDFWBVBMTJP-MRXNPFEDSA-N 0 0 295.430 3.841 20 10 CHCDRN Cc1cc(N(C)C)ccc1NCc1ccc(N(C)C)cc1 ZINC000057667839 1127272095 /nfs/dbraw/zinc/27/20/95/1127272095.db2.gz SIBIAQTVVKBFSU-UHFFFAOYSA-N 0 0 283.419 3.739 20 10 CHCDRN CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cccc(Cl)c1[O-] ZINC000287201969 1127296539 /nfs/dbraw/zinc/29/65/39/1127296539.db2.gz WJLWNGDNUYFXGG-JMSVASOKSA-N 0 0 297.826 3.759 20 10 CHCDRN CC[C@@H](N[C@H](C)C(F)(F)F)c1ccc(F)cc1O ZINC000287201012 1127296670 /nfs/dbraw/zinc/29/66/70/1127296670.db2.gz DSVVATJGYLSLAZ-GMSGAONNSA-N 0 0 265.250 3.523 20 10 CHCDRN CC[C@H]([NH2+]CCCCOC)c1cccc(Cl)c1[O-] ZINC000287570647 1127310586 /nfs/dbraw/zinc/31/05/86/1127310586.db2.gz GTCNSSONJHIQAT-ZDUSSCGKSA-N 0 0 271.788 3.513 20 10 CHCDRN CCCOc1cccc(NCc2cc(F)ccc2O)c1 ZINC000226580697 1127411649 /nfs/dbraw/zinc/41/16/49/1127411649.db2.gz FIFKAGPANPKVPJ-UHFFFAOYSA-N 0 0 275.323 3.932 20 10 CHCDRN Cc1cc(O)c(CN2CC[C@@](C)(F)[C@H](F)C2)cc1Cl ZINC001231868668 1127544643 /nfs/dbraw/zinc/54/46/43/1127544643.db2.gz VZFCSVJBRITMFE-ZIAGYGMSSA-N 0 0 289.753 3.626 20 10 CHCDRN COc1ccc(N(C)Cc2cc(F)ccc2C)cc1OC ZINC000761221290 1127545933 /nfs/dbraw/zinc/54/59/33/1127545933.db2.gz HMUGOVDDRFGAFN-UHFFFAOYSA-N 0 0 289.350 3.788 20 10 CHCDRN Cn1cc(NCc2ccccc2O)c(C2CCCCC2)n1 ZINC000294683961 1127591331 /nfs/dbraw/zinc/59/13/31/1127591331.db2.gz BIPBOQUIKJRHCL-UHFFFAOYSA-N 0 0 285.391 3.786 20 10 CHCDRN CC(C)c1nn(C)cc1NCc1cc(Cl)c(F)cc1O ZINC000294745572 1127596400 /nfs/dbraw/zinc/59/64/00/1127596400.db2.gz RCWIUIRSYYVMED-UHFFFAOYSA-N 0 0 297.761 3.654 20 10 CHCDRN Oc1ccccc1C[NH2+][C@H]1CCCc2c(F)cc(F)cc21 ZINC000295992229 1127659531 /nfs/dbraw/zinc/65/95/31/1127659531.db2.gz KHSAIPGEGXVPIF-INIZCTEOSA-N 0 0 289.325 3.838 20 10 CHCDRN Cc1cc2c(cc1N[C@H]1CCc3cccc(O)c31)OCO2 ZINC000296356124 1127669561 /nfs/dbraw/zinc/66/95/61/1127669561.db2.gz HTEGFSFCHRMPEU-LBPRGKRZSA-N 0 0 283.327 3.529 20 10 CHCDRN Oc1cccc2c1[C@@H](Nc1ccc([C@@H]3CCOC3)cc1)CC2 ZINC000297485305 1127697591 /nfs/dbraw/zinc/69/75/91/1127697591.db2.gz ZOSFUNWFIVRHIH-WBVHZDCISA-N 0 0 295.382 3.996 20 10 CHCDRN C[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000230662382 1127771531 /nfs/dbraw/zinc/77/15/31/1127771531.db2.gz YUECEISMJUNZPU-WDEREUQCSA-N 0 0 298.224 3.681 20 10 CHCDRN C[C@H](CCc1ccco1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062745137 1127773170 /nfs/dbraw/zinc/77/31/70/1127773170.db2.gz IUSQLUHBZOBLBR-VXGBXAGGSA-N 0 0 277.339 3.796 20 10 CHCDRN Oc1ccc(F)cc1CNc1cnc2ccccc2c1 ZINC000231036488 1127793934 /nfs/dbraw/zinc/79/39/34/1127793934.db2.gz BUQCKQPTVDTEHN-UHFFFAOYSA-N 0 0 268.291 3.692 20 10 CHCDRN Oc1ccc(Cl)cc1CN1CCC[C@H]1c1nccs1 ZINC000372433501 1127800166 /nfs/dbraw/zinc/80/01/66/1127800166.db2.gz JNUFHWJQJPCBRQ-LBPRGKRZSA-N 0 0 294.807 3.839 20 10 CHCDRN C[C@H]1CCCC[C@H]1C(=O)NCCCSc1nccs1 ZINC000819277493 1131241265 /nfs/dbraw/zinc/24/12/65/1131241265.db2.gz JNDOIMDFWVWTKR-NWDGAFQWSA-N 0 0 298.477 3.568 20 10 CHCDRN C[C@@H]1CCCC[C@H]1C(=O)NCCCSc1nccs1 ZINC000819277495 1131241484 /nfs/dbraw/zinc/24/14/84/1131241484.db2.gz JNDOIMDFWVWTKR-VXGBXAGGSA-N 0 0 298.477 3.568 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)NCCC1CCC1 ZINC000152109176 1128097467 /nfs/dbraw/zinc/09/74/67/1128097467.db2.gz AKRHOZBGFRDQNG-UHFFFAOYSA-N 0 0 290.407 3.504 20 10 CHCDRN Nc1ccc(NC(=O)NCCC2(c3ccccc3)CC2)cc1 ZINC000926145198 1128157545 /nfs/dbraw/zinc/15/75/45/1128157545.db2.gz VGBPZOUHKHZFBC-UHFFFAOYSA-N 0 0 295.386 3.512 20 10 CHCDRN Cc1ccc(C)c(NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000031726783 1128157888 /nfs/dbraw/zinc/15/78/88/1128157888.db2.gz YKBWFFGXOQXSIC-UHFFFAOYSA-N 0 0 297.402 3.691 20 10 CHCDRN COc1ccc(-c2csc(Cc3ccc(N)cc3)n2)cc1 ZINC000031947689 1128177926 /nfs/dbraw/zinc/17/79/26/1128177926.db2.gz LEQJKUKBRFVCFH-UHFFFAOYSA-N 0 0 296.395 3.992 20 10 CHCDRN CC(=O)c1cc(O)c(O)cc1O[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001234474246 1128194601 /nfs/dbraw/zinc/19/46/01/1128194601.db2.gz PTTZAUIQICUUAC-IAZYJMLFSA-N 0 0 278.348 3.504 20 10 CHCDRN CCNc1nc(Sc2nccs2)nc2ccccc21 ZINC000914862939 1128255682 /nfs/dbraw/zinc/25/56/82/1128255682.db2.gz XGZZQYOFFVFFPT-UHFFFAOYSA-N 0 0 288.401 3.669 20 10 CHCDRN CCc1ccc(N(CC)C(=O)/C=C\c2cccnc2)cc1 ZINC000914519903 1128202337 /nfs/dbraw/zinc/20/23/37/1128202337.db2.gz YPDXXHBKQJYPKL-XFXZXTDPSA-N 0 0 280.371 3.710 20 10 CHCDRN C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1ccc(Cl)cc1[O-] ZINC000926915070 1128202419 /nfs/dbraw/zinc/20/24/19/1128202419.db2.gz DOGFAADLRZGRHL-HFBAOOFYSA-N 0 0 295.810 3.655 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1ccc(F)cc1[O-] ZINC000927061951 1128213291 /nfs/dbraw/zinc/21/32/91/1128213291.db2.gz VMZZNKTWAQRLAV-XHDPSFHLSA-N 0 0 286.350 3.655 20 10 CHCDRN C[C@@H](NC(=O)C[C@@H]1C=CCCC1)c1ccc(N(C)C)cc1 ZINC000777793941 1128277406 /nfs/dbraw/zinc/27/74/06/1128277406.db2.gz RUHAZTLXHNMSLE-HUUCEWRRSA-N 0 0 286.419 3.676 20 10 CHCDRN COc1ccc(O)c(CNc2ccccc2N2CCCC2)c1 ZINC000237363017 1128321811 /nfs/dbraw/zinc/32/18/11/1128321811.db2.gz ZIXGUNWTCXLJHU-UHFFFAOYSA-N 0 0 298.386 3.613 20 10 CHCDRN Cc1ccc2oc(N[C@@H](C)Cc3ccc(O)c(O)c3)nc2c1 ZINC000762800629 1128318570 /nfs/dbraw/zinc/31/85/70/1128318570.db2.gz UTUNXXZFRKEYCJ-NSHDSACASA-N 0 0 298.342 3.591 20 10 CHCDRN CCn1cc(N[C@@H](C)c2ccc3ccccc3c2O)cn1 ZINC000035780737 1128335984 /nfs/dbraw/zinc/33/59/84/1128335984.db2.gz LHJAFOJIEFYBMM-LBPRGKRZSA-N 0 0 281.359 3.935 20 10 CHCDRN Cc1cnc(CCSc2ncc(C(C)(C)C)s2)cn1 ZINC000763180582 1128367884 /nfs/dbraw/zinc/36/78/84/1128367884.db2.gz NGKCEMVNRTVVIF-UHFFFAOYSA-N 0 0 293.461 3.874 20 10 CHCDRN Cc1cc(C(=O)N(C)C)c(C)n1-c1cccc(C(C)C)c1 ZINC000916142203 1128409245 /nfs/dbraw/zinc/40/92/45/1128409245.db2.gz RDHREKAFOFGSHF-UHFFFAOYSA-N 0 0 284.403 3.919 20 10 CHCDRN CCC[C@H](C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000916502223 1128422181 /nfs/dbraw/zinc/42/21/81/1128422181.db2.gz GIWNJQOLZDIULX-AWEZNQCLSA-N 0 0 276.424 3.585 20 10 CHCDRN CC(C)(C)c1nc(CSc2nccs2)co1 ZINC000916759241 1128455004 /nfs/dbraw/zinc/45/50/04/1128455004.db2.gz HIIVQAXXHCVVND-UHFFFAOYSA-N 0 0 254.380 3.721 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000324701862 1128459962 /nfs/dbraw/zinc/45/99/62/1128459962.db2.gz UPMAZHFTFGGFIB-AWEZNQCLSA-N 0 0 265.784 3.714 20 10 CHCDRN CCC[C@@H](C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000042035159 1128562572 /nfs/dbraw/zinc/56/25/72/1128562572.db2.gz VPWMECPTYZYZNB-CQSZACIVSA-N 0 0 276.424 3.537 20 10 CHCDRN CCC[C@@H](NC(=O)Cc1ccc(N)cc1)C1CCCCC1 ZINC000155823022 1128615646 /nfs/dbraw/zinc/61/56/46/1128615646.db2.gz NQUBLYFGWHOHFN-QGZVFWFLSA-N 0 0 288.435 3.677 20 10 CHCDRN C[C@H](Sc1nccs1)c1nc(C(C)(C)C)no1 ZINC000919676953 1128621765 /nfs/dbraw/zinc/62/17/65/1128621765.db2.gz COAUMVWPDWTHQI-ZETCQYMHSA-N 0 0 269.395 3.677 20 10 CHCDRN CC[C@@H](C)CCC(=O)NCc1c(C)c2ccccc2n1C ZINC000572669113 1128646794 /nfs/dbraw/zinc/64/67/94/1128646794.db2.gz KEBBMSCVQUSCDR-CYBMUJFWSA-N 0 0 286.419 3.929 20 10 CHCDRN COc1cc2c(cc1NC[C@H](C)CO)oc1ccccc12 ZINC000157802415 1128662767 /nfs/dbraw/zinc/66/27/67/1128662767.db2.gz AMOPGPGOKLKGFN-NSHDSACASA-N 0 0 285.343 3.635 20 10 CHCDRN CCCC[C@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000050887917 1128662905 /nfs/dbraw/zinc/66/29/05/1128662905.db2.gz VHGXRWDSZDENPM-JTQLQIEISA-N 0 0 286.213 3.823 20 10 CHCDRN CC(=O)c1cc(Cl)cc(C[NH+](C(C)C)C(C)C)c1[O-] ZINC000778959258 1128672437 /nfs/dbraw/zinc/67/24/37/1128672437.db2.gz YLEYYHDWOKXBGG-UHFFFAOYSA-N 0 0 283.799 3.867 20 10 CHCDRN C[C@H]1CCCC[C@H]1CC(=O)N(C)Cc1ccccc1O ZINC000920455178 1128682793 /nfs/dbraw/zinc/68/27/93/1128682793.db2.gz OXILIFPUDIRKTM-KBPBESRZSA-N 0 0 275.392 3.567 20 10 CHCDRN CCCN(CCC)c1ccc(CNCC(F)(F)F)cc1 ZINC000920957033 1128696793 /nfs/dbraw/zinc/69/67/93/1128696793.db2.gz WZWBRLULDNRZRG-UHFFFAOYSA-N 0 0 288.357 3.965 20 10 CHCDRN O=C(/C=C/c1cccnc1)N(CC1CC1)c1ccccc1 ZINC000175378240 1128727703 /nfs/dbraw/zinc/72/77/03/1128727703.db2.gz AJCNPVFKNQYDPK-ZHACJKMWSA-N 0 0 278.355 3.538 20 10 CHCDRN CCC1(NC(=O)c2cc(C)n(-c3ccccn3)c2C)CCC1 ZINC000175463828 1128731445 /nfs/dbraw/zinc/73/14/45/1128731445.db2.gz WNDZHRRHJLQNAU-UHFFFAOYSA-N 0 0 297.402 3.552 20 10 CHCDRN Cc1nc2ccccc2nc1CSc1nccs1 ZINC000064660569 1128731911 /nfs/dbraw/zinc/73/19/11/1128731911.db2.gz LSARKFCRRDZXMZ-UHFFFAOYSA-N 0 0 273.386 3.687 20 10 CHCDRN c1csc(SCc2noc(-c3ccsc3)n2)n1 ZINC000064661970 1128732065 /nfs/dbraw/zinc/73/20/65/1128732065.db2.gz FFNOVROPKCHDML-UHFFFAOYSA-N 0 0 281.387 3.547 20 10 CHCDRN Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c(C)c1 ZINC000185066655 1117759473 /nfs/dbraw/zinc/75/94/73/1117759473.db2.gz FMJIBBUEHCGBTG-CYBMUJFWSA-N 0 0 273.351 3.999 20 10 CHCDRN CN(Cc1cscn1)Cc1c(O)ccc2ccccc21 ZINC000049048529 1128741210 /nfs/dbraw/zinc/74/12/10/1128741210.db2.gz MFMZTMKOWKBJES-UHFFFAOYSA-N 0 0 284.384 3.634 20 10 CHCDRN CC(C)(C)CCC(=O)NCCCSc1nccs1 ZINC000160028621 1128746331 /nfs/dbraw/zinc/74/63/31/1128746331.db2.gz ZUIIPAASCPOTFM-UHFFFAOYSA-N 0 0 286.466 3.568 20 10 CHCDRN Cc1cc(C(=O)N2CCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000068012115 1128751038 /nfs/dbraw/zinc/75/10/38/1128751038.db2.gz RGBDYHFRDMXXRT-UHFFFAOYSA-N 0 0 288.778 3.593 20 10 CHCDRN Oc1c(Br)cccc1CNc1ccccc1F ZINC000042411680 1118031039 /nfs/dbraw/zinc/03/10/39/1118031039.db2.gz PHRFZOVIFKPFGR-UHFFFAOYSA-N 0 0 296.139 3.906 20 10 CHCDRN CC(C)c1occc1C(=O)NCc1cccc(Cl)c1O ZINC000890759851 1118076198 /nfs/dbraw/zinc/07/61/98/1118076198.db2.gz SHKZAZRINBBZAZ-UHFFFAOYSA-N 0 0 293.750 3.692 20 10 CHCDRN C/C(=C/C(=O)NCc1cccc(Cl)c1O)C(C)(C)C ZINC000890760740 1118077007 /nfs/dbraw/zinc/07/70/07/1118077007.db2.gz YHDWPYUEXWOWGI-NTMALXAHSA-N 0 0 281.783 3.654 20 10 CHCDRN CC[C@@H](C(=O)NCc1ccccc1O)C1CCC(C)CC1 ZINC000764250821 1118079611 /nfs/dbraw/zinc/07/96/11/1118079611.db2.gz ODVKELSKJSULMN-ZBCRRDGASA-N 0 0 289.419 3.861 20 10 CHCDRN COc1cc(Nc2ccc3c(c2)OCCN3)ccc1C ZINC001209766348 1118089377 /nfs/dbraw/zinc/08/93/77/1118089377.db2.gz OSMOBDMPGSVJJP-UHFFFAOYSA-N 0 0 270.332 3.552 20 10 CHCDRN CC(C)[C@@H]1CCC[C@@H](NC(=O)C2=CC(=O)CS2)CC1 ZINC000769652018 1118109707 /nfs/dbraw/zinc/10/97/07/1118109707.db2.gz ADXJBZCMUIYGQZ-VXGBXAGGSA-N 0 0 281.421 3.788 20 10 CHCDRN Clc1cnc(SCCOc2ccccc2)s1 ZINC000765002092 1118130788 /nfs/dbraw/zinc/13/07/88/1118130788.db2.gz VEOLXXUKDVQRQY-UHFFFAOYSA-N 0 0 271.794 3.968 20 10 CHCDRN CCOc1cccc(CN2C[C@@H](C)Oc3ccccc32)c1O ZINC000765648315 1118187490 /nfs/dbraw/zinc/18/74/90/1118187490.db2.gz FFYKQPOJSJYQDJ-CYBMUJFWSA-N 0 0 299.370 3.578 20 10 CHCDRN CC(C)CC1(CNC(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC001670433345 1118295735 /nfs/dbraw/zinc/29/57/35/1118295735.db2.gz CYQFEKVAHWTAMG-ZDUSSCGKSA-N 0 0 290.407 3.579 20 10 CHCDRN COc1ccc(O)c(CNc2cccc3ccn(C)c32)c1 ZINC000189198916 1128769211 /nfs/dbraw/zinc/76/92/11/1128769211.db2.gz FDFXFGXRHNBOIJ-UHFFFAOYSA-N 0 0 282.343 3.505 20 10 CHCDRN Cc1cc(C(=O)CSc2nccs2)c(C)n1C1CC1 ZINC000064660815 1118328146 /nfs/dbraw/zinc/32/81/46/1118328146.db2.gz ZPHIJEFJIQTITC-UHFFFAOYSA-N 0 0 292.429 3.871 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)/C=C\Sc1ccccc1 ZINC000255164248 1118356661 /nfs/dbraw/zinc/35/66/61/1118356661.db2.gz AJUXVELLANPNLX-QXMHVHEDSA-N 0 0 299.395 3.657 20 10 CHCDRN C[C@H]1CCCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707136585 1118641509 /nfs/dbraw/zinc/64/15/09/1118641509.db2.gz TTXVBQVBFLZLEE-NSHDSACASA-N 0 0 298.224 3.777 20 10 CHCDRN COc1ccc(CNc2cc(C)cc(C)c2)c(O)c1OC ZINC000892259216 1119069556 /nfs/dbraw/zinc/06/95/56/1119069556.db2.gz QOEXBMLQRVLZKO-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1cccnc1 ZINC000065597634 1119205046 /nfs/dbraw/zinc/20/50/46/1119205046.db2.gz ZYCBMBGSCWRMBI-UHFFFAOYSA-N 0 0 290.313 3.636 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccc(F)cc1[O-] ZINC000796845605 1119211725 /nfs/dbraw/zinc/21/17/25/1119211725.db2.gz BRYKVRFEHADYPX-IINYFYTJSA-N 0 0 251.345 3.761 20 10 CHCDRN CCC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1CCC1 ZINC000708390544 1119424262 /nfs/dbraw/zinc/42/42/62/1119424262.db2.gz QTLSCSPXLXOBBP-CQSZACIVSA-N 0 0 269.335 3.729 20 10 CHCDRN CC[C@@H](Nc1cnn(CC2CC2)c1)c1ccccc1O ZINC000186349124 1120030637 /nfs/dbraw/zinc/03/06/37/1120030637.db2.gz BBTNCYJBQLQPKY-OAHLLOKOSA-N 0 0 271.364 3.562 20 10 CHCDRN [O-]c1cc(Cl)c(Cl)cc1C[NH+]1CC2CC(C2)C1 ZINC001236799267 1128893247 /nfs/dbraw/zinc/89/32/47/1128893247.db2.gz NBSBWDCCHDDSQG-UHFFFAOYSA-N 0 0 272.175 3.541 20 10 CHCDRN Nc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000110408821 1120107870 /nfs/dbraw/zinc/10/78/70/1120107870.db2.gz BOCOPBDTQRKECN-NXEZZACHSA-N 0 0 286.297 3.576 20 10 CHCDRN Cc1ccc(O)c([C@H](C)Nc2ccc3c(c2)N(C)CCO3)c1 ZINC000186458295 1120195471 /nfs/dbraw/zinc/19/54/71/1120195471.db2.gz DNJOOQKROYOYOS-ZDUSSCGKSA-N 0 0 298.386 3.702 20 10 CHCDRN COC(=O)Nc1cccc(NCc2ccc(N(C)C)cc2)c1 ZINC000119716970 1120200124 /nfs/dbraw/zinc/20/01/24/1120200124.db2.gz ZBEIPHSVJKFGBX-UHFFFAOYSA-N 0 0 299.374 3.543 20 10 CHCDRN CCCCOCCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000756340951 1120232579 /nfs/dbraw/zinc/23/25/79/1120232579.db2.gz KAFDCVJIEYPFHJ-LBPRGKRZSA-N 0 0 285.815 3.903 20 10 CHCDRN CC[C@@H](C)[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715705064 1120238839 /nfs/dbraw/zinc/23/88/39/1120238839.db2.gz YLKPYXDUEUMDAA-MRVPVSSYSA-N 0 0 290.176 3.524 20 10 CHCDRN CC(C)n1c2ccc(F)cc2nc1-c1ccc(O)c(O)c1 ZINC000225654306 1120249165 /nfs/dbraw/zinc/24/91/65/1120249165.db2.gz AXCWGDPAFHHJRQ-UHFFFAOYSA-N 0 0 286.306 3.835 20 10 CHCDRN CCCn1c2ccc(F)cc2nc1-c1ccc(O)c(O)c1 ZINC000225654179 1120249206 /nfs/dbraw/zinc/24/92/06/1120249206.db2.gz JSJXIHJQJYZRCA-UHFFFAOYSA-N 0 0 286.306 3.664 20 10 CHCDRN CCOc1ccc(N(C)CCCC2CCOCC2)cc1 ZINC000765949286 1120253080 /nfs/dbraw/zinc/25/30/80/1120253080.db2.gz BYRQXGDYPFZQSA-UHFFFAOYSA-N 0 0 277.408 3.728 20 10 CHCDRN CC(C)CCSCc1nc(Cc2ccc(N)cc2)no1 ZINC000843160331 1120276693 /nfs/dbraw/zinc/27/66/93/1120276693.db2.gz XHNQMXZMSVYLQJ-UHFFFAOYSA-N 0 0 291.420 3.522 20 10 CHCDRN Nc1ccc(Cc2noc(CCC3CCCCC3)n2)cc1 ZINC000843165161 1120298848 /nfs/dbraw/zinc/29/88/48/1120298848.db2.gz ZLBKWTBAHIPVBX-UHFFFAOYSA-N 0 0 285.391 3.756 20 10 CHCDRN CC(C)([NH2+]Cc1cccc(Cl)c1[O-])c1nccs1 ZINC000182213474 1120317027 /nfs/dbraw/zinc/31/70/27/1120317027.db2.gz RELFWCONSNSHRV-UHFFFAOYSA-N 0 0 282.796 3.527 20 10 CHCDRN CCCNc1nnc(Sc2ncc(Cl)s2)s1 ZINC000309972985 1120354528 /nfs/dbraw/zinc/35/45/28/1120354528.db2.gz QOZUUGKVVUJLKE-UHFFFAOYSA-N 0 0 292.842 3.621 20 10 CHCDRN C[N@H+](Cc1ccc(OCC2CC2)cc1)Cc1ccccc1O ZINC000191253471 1120518258 /nfs/dbraw/zinc/51/82/58/1120518258.db2.gz MXBSUDPEBZSNMM-UHFFFAOYSA-N 0 0 297.398 3.813 20 10 CHCDRN Nc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1 ZINC000019835110 1120528851 /nfs/dbraw/zinc/52/88/51/1120528851.db2.gz FYFOYPWXYLMJGH-UHFFFAOYSA-N 0 0 286.400 3.852 20 10 CHCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2ccccc2Cl)c1 ZINC000019908280 1120544450 /nfs/dbraw/zinc/54/44/50/1120544450.db2.gz RZZNJYDVSGJLCI-LLVKDONJSA-N 0 0 291.778 3.905 20 10 CHCDRN CC[C@@H](Nc1cc(OC)cc(OC)c1)c1ccccc1O ZINC000019909668 1120546168 /nfs/dbraw/zinc/54/61/68/1120546168.db2.gz HXQCDCJECIHOKD-MRXNPFEDSA-N 0 0 287.359 3.973 20 10 CHCDRN Cc1cc(C)cc(NCc2ccc(N(C)C)cc2)c1 ZINC000019952516 1120551637 /nfs/dbraw/zinc/55/16/37/1120551637.db2.gz PHHKZUHJWZCWOA-UHFFFAOYSA-N 0 0 254.377 3.982 20 10 CHCDRN Oc1c(F)cc(F)cc1CNc1cnn(C2CCCC2)c1 ZINC000922623753 1120565832 /nfs/dbraw/zinc/56/58/32/1120565832.db2.gz WROIZUGFEYKELZ-UHFFFAOYSA-N 0 0 293.317 3.594 20 10 CHCDRN COc1ccccc1N[C@@H](C)c1ccc(C)cc1O ZINC000020086901 1120582181 /nfs/dbraw/zinc/58/21/81/1120582181.db2.gz WSPULXBLWRFWLJ-LBPRGKRZSA-N 0 0 257.333 3.882 20 10 CHCDRN COc1ccc(N[C@H](C)c2ccc(C)cc2O)c(OC)c1 ZINC000020087263 1120582300 /nfs/dbraw/zinc/58/23/00/1120582300.db2.gz CMRGJDANXHODNP-GFCCVEGCSA-N 0 0 287.359 3.891 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000922843070 1120609523 /nfs/dbraw/zinc/60/95/23/1120609523.db2.gz OXYDOVWFFMHXDX-LBPRGKRZSA-N 0 0 299.386 3.578 20 10 CHCDRN C[C@H]([NH2+]C1(Cc2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000186585378 1120609687 /nfs/dbraw/zinc/60/96/87/1120609687.db2.gz ASUSBOIDNYVFDP-ZDUSSCGKSA-N 0 0 285.362 3.957 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000282404698 1120616464 /nfs/dbraw/zinc/61/64/64/1120616464.db2.gz FOKBPOHRFKVABQ-QLPKVWCKSA-N 0 0 287.403 3.567 20 10 CHCDRN C[C@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccc(F)cc1[O-] ZINC000857082339 1120628573 /nfs/dbraw/zinc/62/85/73/1120628573.db2.gz MUBCFYKZHMIDPT-IUCAKERBSA-N 0 0 292.181 3.766 20 10 CHCDRN CCCCN(CCCC)C(=O)CSc1nccs1 ZINC000193839500 1120643782 /nfs/dbraw/zinc/64/37/82/1120643782.db2.gz JYUNRMBMABUFSK-UHFFFAOYSA-N 0 0 286.466 3.664 20 10 CHCDRN CCN(CC)c1ccc(CNc2cccc(F)n2)cc1 ZINC000132725221 1120665757 /nfs/dbraw/zinc/66/57/57/1120665757.db2.gz YHTXMSVYFDVFBQ-UHFFFAOYSA-N 0 0 273.355 3.679 20 10 CHCDRN Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1ccoc1 ZINC000766028064 1120669650 /nfs/dbraw/zinc/66/96/50/1120669650.db2.gz CYALQZUQMHIILI-ZDUSSCGKSA-N 0 0 258.365 3.505 20 10 CHCDRN CCN(CC)c1ccc(CNc2cccc(CCO)c2)cc1 ZINC000313184705 1120688863 /nfs/dbraw/zinc/68/88/63/1120688863.db2.gz NNBKVXUDYMZTKK-UHFFFAOYSA-N 0 0 298.430 3.680 20 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3.890 20 10 CHCDRN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)ccc1Cl ZINC001175037969 1121154013 /nfs/dbraw/zinc/15/40/13/1121154013.db2.gz NBJPJRPULDMKCB-UHFFFAOYSA-N 0 0 287.746 3.510 20 10 CHCDRN Cc1cccc(C(=O)N2Cc3cccc(O)c3C2)c1Cl ZINC001175037728 1121154129 /nfs/dbraw/zinc/15/41/29/1121154129.db2.gz LARRZPAVMLXTRO-UHFFFAOYSA-N 0 0 287.746 3.510 20 10 CHCDRN COc1ccc(N(C)Cc2cccc(F)n2)cc1Cl ZINC001167881233 1121220791 /nfs/dbraw/zinc/22/07/91/1121220791.db2.gz KAJDGICEVVAVLS-UHFFFAOYSA-N 0 0 280.730 3.519 20 10 CHCDRN C[C@H](Cc1ccccc1F)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000756446479 1121240286 /nfs/dbraw/zinc/24/02/86/1121240286.db2.gz QPSQDWBRRJCHGM-VXGBXAGGSA-N 0 0 291.341 3.952 20 10 CHCDRN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])s1 ZINC000703290734 1121244991 /nfs/dbraw/zinc/24/49/91/1121244991.db2.gz IOWXIFNTTDBWKG-SECBINFHSA-N 0 0 283.343 3.891 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2ccccc2O)cc1 ZINC000763544919 1128981245 /nfs/dbraw/zinc/98/12/45/1128981245.db2.gz NXZFPTAMJIMEIV-UHFFFAOYSA-N 0 0 271.360 3.816 20 10 CHCDRN CCN(Cc1cn2cccc(C)c2n1)c1ccc(OC)cc1 ZINC000728918466 1121382081 /nfs/dbraw/zinc/38/20/81/1121382081.db2.gz YSHQBTUKFLBTJE-UHFFFAOYSA-N 0 0 295.386 3.678 20 10 CHCDRN Nc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1 ZINC000238040201 1121395781 /nfs/dbraw/zinc/39/57/81/1121395781.db2.gz FWVVSLNSWANTGE-UHFFFAOYSA-N 0 0 295.367 3.645 20 10 CHCDRN COc1ccc(N(C)CCC[C@@H]2CCOC2)cc1Cl ZINC000827995495 1121408083 /nfs/dbraw/zinc/40/80/83/1121408083.db2.gz FFBBAFKFPJJLAH-GFCCVEGCSA-N 0 0 283.799 3.602 20 10 CHCDRN CC[N@H+](Cc1cccc(Cl)c1[O-])[C@H](C)C(C)C ZINC000706647480 1121434595 /nfs/dbraw/zinc/43/45/95/1121434595.db2.gz WRWSFKGACBTHFI-LLVKDONJSA-N 0 0 255.789 3.912 20 10 CHCDRN Oc1cccc(F)c1CN1CCc2c3ccccc3oc2C1 ZINC001137839543 1121438917 /nfs/dbraw/zinc/43/89/17/1121438917.db2.gz CKFNUTAJWSNJLW-UHFFFAOYSA-N 0 0 297.329 3.836 20 10 CHCDRN CCOc1cccc(CNc2ccc3oc(C)nc3c2)c1O ZINC000236941915 1121498419 /nfs/dbraw/zinc/49/84/19/1121498419.db2.gz NTYCUNNUXDTNPN-UHFFFAOYSA-N 0 0 298.342 3.853 20 10 CHCDRN O=C(c1ccc(F)cc1)c1ccccc1NC1=CCOCC1 ZINC001176144281 1121550185 /nfs/dbraw/zinc/55/01/85/1121550185.db2.gz NGVVQEUURWAYQC-UHFFFAOYSA-N 0 0 297.329 3.773 20 10 CHCDRN O=C1c2ccccc2-c2cccc(NC3=CCOCC3)c21 ZINC001176146406 1121550408 /nfs/dbraw/zinc/55/04/08/1121550408.db2.gz AXYRXJGCGQOKOJ-UHFFFAOYSA-N 0 0 277.323 3.614 20 10 CHCDRN Cc1noc(C)c1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001176182969 1121566732 /nfs/dbraw/zinc/56/67/32/1121566732.db2.gz HDFGTJWTPFXFMQ-UHFFFAOYSA-N 0 0 294.358 3.926 20 10 CHCDRN CC(C)C[C@@H]1OCCC[C@@H]1[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000248582383 1121574673 /nfs/dbraw/zinc/57/46/73/1121574673.db2.gz WGWKPUSFSHZRQJ-PVUWLOKVSA-N 0 0 295.398 3.776 20 10 CHCDRN CC[C@@H](C)CN(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773610409 1121709283 /nfs/dbraw/zinc/70/92/83/1121709283.db2.gz IMDJQYMLKCWWNW-ZIAGYGMSSA-N 0 0 291.439 3.501 20 10 CHCDRN C[C@H]1CCC[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC001177240680 1121718884 /nfs/dbraw/zinc/71/88/84/1121718884.db2.gz QIUVQUGCTDJPKI-VHSXEESVSA-N 0 0 271.763 3.853 20 10 CHCDRN COc1ccc(O)c([C@H](C)NC(=O)CC2CCCCC2)c1 ZINC000728980913 1121733465 /nfs/dbraw/zinc/73/34/65/1121733465.db2.gz PSLAFAXISPJLFZ-LBPRGKRZSA-N 0 0 291.391 3.548 20 10 CHCDRN CN(Cc1nc2ccccc2s1)c1ccc2c(c1)OCO2 ZINC000178879989 1121787440 /nfs/dbraw/zinc/78/74/40/1121787440.db2.gz VIXAOQSDSFMTRD-UHFFFAOYSA-N 0 0 298.367 3.661 20 10 CHCDRN CC(C)[C@@H]1CN(C(=O)/C=C\c2cccnc2)c2ccccc21 ZINC000773778989 1121825782 /nfs/dbraw/zinc/82/57/82/1121825782.db2.gz ZUADNSJVZBLQAU-IBSYWUHOSA-N 0 0 292.382 3.881 20 10 CHCDRN CC(C)c1cc(NCc2ccc3c(c2)CCCN3C)ncn1 ZINC000732004210 1121901466 /nfs/dbraw/zinc/90/14/66/1121901466.db2.gz SOSAJPUBVTZICD-UHFFFAOYSA-N 0 0 296.418 3.595 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccc2cnccc21 ZINC001179768483 1121906570 /nfs/dbraw/zinc/90/65/70/1121906570.db2.gz PKYNIFYWGVVJHX-UHFFFAOYSA-N 0 0 298.773 3.884 20 10 CHCDRN CN(Cc1ccc2ccccc2c1)C(=O)C1=CC(=O)CS1 ZINC000732258254 1121913926 /nfs/dbraw/zinc/91/39/26/1121913926.db2.gz OYRKMGDJTZNPJN-UHFFFAOYSA-N 0 0 297.379 3.879 20 10 CHCDRN Cc1cc([C@H](C)NC(=O)C2=CC(=O)CS2)c(C)s1 ZINC000732268082 1121914035 /nfs/dbraw/zinc/91/40/35/1121914035.db2.gz ADDGZLCCSIKWFS-QMMMGPOBSA-N 0 0 281.402 3.623 20 10 CHCDRN CCCc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000732263537 1121914191 /nfs/dbraw/zinc/91/41/91/1121914191.db2.gz QSLKJQOQOZOEKJ-UHFFFAOYSA-N 0 0 261.346 3.659 20 10 CHCDRN C[C@@H](CCc1ccccc1)OC(=O)C1=CC(=O)CS1 ZINC000732353799 1121917645 /nfs/dbraw/zinc/91/76/45/1121917645.db2.gz VYWCSRCSPHBRQK-NSHDSACASA-N 0 0 276.357 3.632 20 10 CHCDRN Cc1ncc(/C=C\C(=O)N(C)c2ccc(C)c(C)c2)s1 ZINC000732734282 1121937034 /nfs/dbraw/zinc/93/70/34/1121937034.db2.gz CFRSIZLDDCPEFU-FPLPWBNLSA-N 0 0 286.400 3.745 20 10 CHCDRN C[N@H+](CCCc1ccccc1)Cc1ccc(F)c(F)c1[O-] ZINC001180121056 1121954695 /nfs/dbraw/zinc/95/46/95/1121954695.db2.gz OJWVGIXDHUEOFY-UHFFFAOYSA-N 0 0 291.341 3.735 20 10 CHCDRN CCC[C@@H](C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000733153291 1121964022 /nfs/dbraw/zinc/96/40/22/1121964022.db2.gz PTDXXDNIVBNDEP-CYBMUJFWSA-N 0 0 294.414 3.724 20 10 CHCDRN CC(C)[C@H](C)[N@H+](Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC001180478909 1121989612 /nfs/dbraw/zinc/98/96/12/1121989612.db2.gz DVXLPGXRJFDDSR-JTQLQIEISA-N 0 0 269.335 3.679 20 10 CHCDRN Cc1cccc2c1CCCN2Cc1cc(F)c(F)cc1O ZINC001180752883 1122011864 /nfs/dbraw/zinc/01/18/64/1122011864.db2.gz VUWFTVAXAQVAPG-UHFFFAOYSA-N 0 0 289.325 3.932 20 10 CHCDRN COc1cc(C)cc(CN2CC3(CC3)c3ccccc32)c1O ZINC001180986195 1122028667 /nfs/dbraw/zinc/02/86/67/1122028667.db2.gz WIAGFJHNEGLEEP-UHFFFAOYSA-N 0 0 295.382 3.761 20 10 CHCDRN Cc1cc(NCc2cc(C(C)C)ccc2O)ccc1C(N)=O ZINC001181305108 1122048832 /nfs/dbraw/zinc/04/88/32/1122048832.db2.gz MLZKXMKIZKZVSY-UHFFFAOYSA-N 0 0 298.386 3.535 20 10 CHCDRN CC(C)(C)[C@H]1CCCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000079357393 1129028397 /nfs/dbraw/zinc/02/83/97/1129028397.db2.gz YFXLXCVLJMQDMH-ZDUSSCGKSA-N 0 0 289.423 3.949 20 10 CHCDRN Cc1cc(C)c(CNC(=O)[C@@H]2CC23CCCCC3)c(O)c1 ZINC001181911264 1122096338 /nfs/dbraw/zinc/09/63/38/1122096338.db2.gz MNEAJZVESHGEKM-HNNXBMFYSA-N 0 0 287.403 3.596 20 10 CHCDRN CN(C)c1cc(F)c(C[N@@H+]2CCC[C@H](C3CC3)C2)cc1F ZINC001182184784 1122117494 /nfs/dbraw/zinc/11/74/94/1122117494.db2.gz UPGFFRFPBHMXCZ-ZDUSSCGKSA-N 0 0 294.389 3.653 20 10 CHCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C(C)(C)C ZINC000205579513 1122162908 /nfs/dbraw/zinc/16/29/08/1122162908.db2.gz MERVQZXYIFFVFZ-UHFFFAOYSA-N 0 0 262.180 3.929 20 10 CHCDRN Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)c(F)cc1[O-])CC2 ZINC001182685559 1122182858 /nfs/dbraw/zinc/18/28/58/1122182858.db2.gz RYKNWRKSYBMWBS-MRXNPFEDSA-N 0 0 289.325 3.756 20 10 CHCDRN CN(C)c1cc(F)c(C[N@@H+]2CCC23CCCC3)cc1F ZINC001182756318 1122185123 /nfs/dbraw/zinc/18/51/23/1122185123.db2.gz ZDKJCJCPIGIXHG-UHFFFAOYSA-N 0 0 280.362 3.549 20 10 CHCDRN Cc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000273406637 1122231789 /nfs/dbraw/zinc/23/17/89/1122231789.db2.gz ONKCEFVTMRVRES-SNVBAGLBSA-N 0 0 292.360 3.521 20 10 CHCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(SC)cn2)c1 ZINC000273444266 1122232681 /nfs/dbraw/zinc/23/26/81/1122232681.db2.gz DTYHMMVUSLJDEM-SNVBAGLBSA-N 0 0 290.388 3.691 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC001183822412 1122242040 /nfs/dbraw/zinc/24/20/40/1122242040.db2.gz GVPSEMJSFJDGPO-PWSUYJOCSA-N 0 0 283.774 3.711 20 10 CHCDRN CCN(CC(C)C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000192853509 1129040927 /nfs/dbraw/zinc/04/09/27/1129040927.db2.gz LAEMLESIAKNOMG-UHFFFAOYSA-N 0 0 299.418 3.607 20 10 CHCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001184339773 1122271745 /nfs/dbraw/zinc/27/17/45/1122271745.db2.gz SJDLNZIBLGWONC-CQSZACIVSA-N 0 0 277.383 3.934 20 10 CHCDRN CCC[C@@H](CC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001269587147 1122299184 /nfs/dbraw/zinc/29/91/84/1122299184.db2.gz CRKOUDGHBSEZRG-UONOGXRCSA-N 0 0 276.424 3.756 20 10 CHCDRN O=C(OCC1CC1)N(Cc1ccccc1O)C1CCCC1 ZINC000192887148 1129045500 /nfs/dbraw/zinc/04/55/00/1129045500.db2.gz XZEPHGRFDKDTPU-UHFFFAOYSA-N 0 0 289.375 3.683 20 10 CHCDRN C[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC001185035066 1122312408 /nfs/dbraw/zinc/31/24/08/1122312408.db2.gz JSYOUFQGSRHRCQ-CHWSQXEVSA-N 0 0 284.359 3.514 20 10 CHCDRN CC(C)Cn1ncc(NCc2ccccc2O)c1C(C)C ZINC000774827560 1122315485 /nfs/dbraw/zinc/31/54/85/1122315485.db2.gz PAGGZDLPCGXLGJ-UHFFFAOYSA-N 0 0 287.407 3.980 20 10 CHCDRN COc1ccc(N(C)CC2CC(F)(F)C2)cc1Cl ZINC000828039843 1122349100 /nfs/dbraw/zinc/34/91/00/1122349100.db2.gz AROIKGGAZOBUFL-UHFFFAOYSA-N 0 0 275.726 3.830 20 10 CHCDRN C[C@@H](CC1CCCCC1)NC(=O)C1=CC(=O)CS1 ZINC000775097704 1122422993 /nfs/dbraw/zinc/42/29/93/1122422993.db2.gz LDJRBTXVLYEEQI-JTQLQIEISA-N 0 0 267.394 3.542 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1(C)CCCCC1 ZINC000780721267 1122465715 /nfs/dbraw/zinc/46/57/15/1122465715.db2.gz QEGHDQHRSBYKKU-UHFFFAOYSA-N 0 0 288.435 3.648 20 10 CHCDRN COC(=O)c1ccc(CSc2nccs2)cc1Cl ZINC001188659415 1122471601 /nfs/dbraw/zinc/47/16/01/1122471601.db2.gz CPQLPOPKBRCHAG-UHFFFAOYSA-N 0 0 299.804 3.875 20 10 CHCDRN COC(=O)c1cnc(SC[C@H]2CCC[C@@H](C)C2)s1 ZINC001189407590 1122500518 /nfs/dbraw/zinc/50/05/18/1122500518.db2.gz FGMNAQXWXDKQOX-ZJUUUORDSA-N 0 0 285.434 3.848 20 10 CHCDRN COc1cc(C)c(NCc2ccc(N(C)C)cc2)cc1F ZINC000775322766 1122516391 /nfs/dbraw/zinc/51/63/91/1122516391.db2.gz AQRKBJBKBXGWSI-UHFFFAOYSA-N 0 0 288.366 3.821 20 10 CHCDRN Cc1ccc(O)c(CNc2ccc3c(c2)CCC3)c1 ZINC000071406029 1129060486 /nfs/dbraw/zinc/06/04/86/1129060486.db2.gz DAZHXVRGUVPSSI-UHFFFAOYSA-N 0 0 253.345 3.801 20 10 CHCDRN Cc1cc(C)c(CNC(=O)NC2CCCCCC2)c(O)c1 ZINC001191286655 1122589927 /nfs/dbraw/zinc/58/99/27/1122589927.db2.gz JWOMQYSQSJVZHB-UHFFFAOYSA-N 0 0 290.407 3.531 20 10 CHCDRN COc1ccc(N(C)C[C@@H](OC)C2CCCCC2)cc1F ZINC001191892076 1122620445 /nfs/dbraw/zinc/62/04/45/1122620445.db2.gz SADXMGRBBDWBBK-QGZVFWFLSA-N 0 0 295.398 3.866 20 10 CHCDRN CCCCOCC[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000775495794 1122624347 /nfs/dbraw/zinc/62/43/47/1122624347.db2.gz BYDBDCSEVZVMNX-AWEZNQCLSA-N 0 0 285.815 3.903 20 10 CHCDRN C[C@@H](NC(=O)OC1CCCCC1)c1ccccc1O ZINC001193647148 1122705908 /nfs/dbraw/zinc/70/59/08/1122705908.db2.gz HOAOXUTWQRNMSK-LLVKDONJSA-N 0 0 263.337 3.512 20 10 CHCDRN CCCCOC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001193687274 1122709369 /nfs/dbraw/zinc/70/93/69/1122709369.db2.gz REKJISAPVQPTDO-UHFFFAOYSA-N 0 0 290.407 3.655 20 10 CHCDRN CNC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C ZINC000048545546 1122741545 /nfs/dbraw/zinc/74/15/45/1122741545.db2.gz JGBPMWLLTCDKID-UHFFFAOYSA-N 0 0 270.376 3.577 20 10 CHCDRN COc1ccc(N(CCC(C)(C)OC)CC2CC2)cc1 ZINC001194467541 1122776723 /nfs/dbraw/zinc/77/67/23/1122776723.db2.gz QVZPRQBLJNDHTG-UHFFFAOYSA-N 0 0 277.408 3.727 20 10 CHCDRN CC[C@H](C)COC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001194822180 1122809148 /nfs/dbraw/zinc/80/91/48/1122809148.db2.gz BDMJYMVNYKEOQT-STQMWFEESA-N 0 0 278.396 3.586 20 10 CHCDRN COc1ccc(O)c(C[N@@H+]2CCc3sccc3[C@H]2C)c1 ZINC000775647672 1122862016 /nfs/dbraw/zinc/86/20/16/1122862016.db2.gz XWTQYEGNPKIIPW-LLVKDONJSA-N 0 0 289.400 3.582 20 10 CHCDRN CCN(Cc1cc(Cl)cc(C)c1O)CC(F)(F)F ZINC000775655174 1122866555 /nfs/dbraw/zinc/86/65/55/1122866555.db2.gz WWWPGGJZBIEDEO-UHFFFAOYSA-N 0 0 281.705 3.738 20 10 CHCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C(C1CC1)C1CC1 ZINC000775667827 1122882528 /nfs/dbraw/zinc/88/25/28/1122882528.db2.gz NWPYVVJELLAYQN-UHFFFAOYSA-N 0 0 283.774 3.805 20 10 CHCDRN C[C@@H](NC(=O)Nc1ccsc1)c1ccc(N(C)C)cc1 ZINC000775670333 1122883853 /nfs/dbraw/zinc/88/38/53/1122883853.db2.gz MFFBVQXPIAEHHU-LLVKDONJSA-N 0 0 289.404 3.697 20 10 CHCDRN Cc1cccc(CN(Cc2ccccc2)CC(F)F)c1O ZINC000775723593 1122925450 /nfs/dbraw/zinc/92/54/50/1122925450.db2.gz BVGFKJRBVXECMX-UHFFFAOYSA-N 0 0 291.341 3.968 20 10 CHCDRN Nc1ccc(N(Cc2ccccc2)c2cnoc2)cc1 ZINC001203242260 1122947450 /nfs/dbraw/zinc/94/74/50/1122947450.db2.gz QWXUWMTXPJQVBO-UHFFFAOYSA-N 0 0 265.316 3.595 20 10 CHCDRN Nc1ccc(NC2=CC[C@@H](C(F)(F)F)CC2)cc1 ZINC001197295960 1122950245 /nfs/dbraw/zinc/95/02/45/1122950245.db2.gz SDMJWQHPJDGFLX-SECBINFHSA-N 0 0 256.271 3.927 20 10 CHCDRN CCOc1ccc(N(C)C[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC001197565090 1122960076 /nfs/dbraw/zinc/96/00/76/1122960076.db2.gz PIBWFHGDRACWNJ-KFWWJZLASA-N 0 0 259.393 3.958 20 10 CHCDRN COc1cc(Cl)ccc1NCc1cc(F)ccc1O ZINC000775998158 1123034150 /nfs/dbraw/zinc/03/41/50/1123034150.db2.gz DOLXCLRRKFEUDF-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN Cc1cccc(NNC(=S)Nc2ccc(C)c(F)c2)c1 ZINC000018918885 1123064744 /nfs/dbraw/zinc/06/47/44/1123064744.db2.gz YLRUASDWMUPALE-UHFFFAOYSA-N 0 0 289.379 3.756 20 10 CHCDRN CC(C)Nc1ccc(Nc2cc(N)ccc2O)cc1 ZINC001201496869 1123110046 /nfs/dbraw/zinc/11/00/46/1123110046.db2.gz AQNIAIUKIYPRAU-UHFFFAOYSA-N 0 0 257.337 3.538 20 10 CHCDRN COC(=O)Cc1ccccc1Nc1ccc(NC(C)C)cc1 ZINC001201498394 1123111211 /nfs/dbraw/zinc/11/12/11/1123111211.db2.gz WZLYAQFBONMCCX-UHFFFAOYSA-N 0 0 298.386 3.966 20 10 CHCDRN COc1cc(CO)ccc1Nc1ccc(NC(C)C)cc1 ZINC001201498704 1123111391 /nfs/dbraw/zinc/11/13/91/1123111391.db2.gz CMGRVKPNQRBAIJ-UHFFFAOYSA-N 0 0 286.375 3.751 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc(CO)cc2)cc1 ZINC001201497135 1123111429 /nfs/dbraw/zinc/11/14/29/1123111429.db2.gz CVFWMBGSLGGCAR-UHFFFAOYSA-N 0 0 256.349 3.743 20 10 CHCDRN CC(C)Nc1ccc(Nc2cc(CO)ccc2F)cc1 ZINC001201497812 1123111536 /nfs/dbraw/zinc/11/15/36/1123111536.db2.gz MGCKXAJEODWQDI-UHFFFAOYSA-N 0 0 274.339 3.882 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc3c(c2)CCNC3=O)cc1 ZINC001201498032 1123111612 /nfs/dbraw/zinc/11/16/12/1123111612.db2.gz QLDZPTMCOKGHQG-UHFFFAOYSA-N 0 0 295.386 3.536 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc3c(c2)CNC(=O)N3)cc1 ZINC001201505989 1123112979 /nfs/dbraw/zinc/11/29/79/1123112979.db2.gz UMHAZVBKYBODBW-UHFFFAOYSA-N 0 0 296.374 3.886 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](C)[C@@H](C)C2)cc1 ZINC001126507367 1123145820 /nfs/dbraw/zinc/14/58/20/1123145820.db2.gz OYBMQDHXFHYKJD-KBPBESRZSA-N 0 0 296.414 3.822 20 10 CHCDRN Oc1ccccc1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000134225867 1123159163 /nfs/dbraw/zinc/15/91/63/1123159163.db2.gz WQBCPDNHGMVDTL-HNNXBMFYSA-N 0 0 259.374 3.695 20 10 CHCDRN CCN(CC(C)C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776238200 1123173609 /nfs/dbraw/zinc/17/36/09/1123173609.db2.gz LSPWLVFBXFFZQA-AWEZNQCLSA-N 0 0 291.439 3.501 20 10 CHCDRN CC1(C)CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000776252012 1123178583 /nfs/dbraw/zinc/17/85/83/1123178583.db2.gz IODYTGGTUXUOTA-LLVKDONJSA-N 0 0 271.763 3.853 20 10 CHCDRN CCC(C)(CC)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776245938 1123178661 /nfs/dbraw/zinc/17/86/61/1123178661.db2.gz IMSZUUPVZSVODP-ZDUSSCGKSA-N 0 0 291.439 3.692 20 10 CHCDRN CCC(C)(CC)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776245931 1123178942 /nfs/dbraw/zinc/17/89/42/1123178942.db2.gz IMSZUUPVZSVODP-CYBMUJFWSA-N 0 0 291.439 3.692 20 10 CHCDRN CCC(CC)[C@@H](CC[NH2+]Cc1cccc(Cl)c1[O-])OC ZINC000776253925 1123179595 /nfs/dbraw/zinc/17/95/95/1123179595.db2.gz XATBLTOSEWSENJ-OAHLLOKOSA-N 0 0 299.842 3.977 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]CC12CCC(CC1)C2 ZINC000776254500 1123180441 /nfs/dbraw/zinc/18/04/41/1123180441.db2.gz XORXQKLWKWUMAC-UHFFFAOYSA-N 0 0 265.784 3.716 20 10 CHCDRN CCN(CC)c1ccc(CNc2ncccc2OC)cc1 ZINC000776254127 1123180521 /nfs/dbraw/zinc/18/05/21/1123180521.db2.gz UAJKIUDSZZRJSF-UHFFFAOYSA-N 0 0 285.391 3.549 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000776247138 1123180639 /nfs/dbraw/zinc/18/06/39/1123180639.db2.gz AIMAVPOICSTFQX-JTQLQIEISA-N 0 0 293.716 3.852 20 10 CHCDRN COc1ccc(C[NH2+]Cc2cccc(F)c2F)cc1C ZINC000107712548 1123226166 /nfs/dbraw/zinc/22/61/66/1123226166.db2.gz OAPNIMDULFWTIO-UHFFFAOYSA-N 0 0 277.314 3.572 20 10 CHCDRN C[C@H]([NH2+]Cc1cc(F)ccc1F)c1ccc(F)cc1[O-] ZINC000107929250 1123229413 /nfs/dbraw/zinc/22/94/13/1123229413.db2.gz OMKCPAGQPJCNHW-VIFPVBQESA-N 0 0 281.277 3.660 20 10 CHCDRN CC1CCN(c2ccc(CNC(=O)C(C)(C)C)cc2)CC1 ZINC000108295845 1123230622 /nfs/dbraw/zinc/23/06/22/1123230622.db2.gz ONYFFSHDSBVDKT-UHFFFAOYSA-N 0 0 288.435 3.585 20 10 CHCDRN Clc1cnc(SCCc2cscn2)s1 ZINC000850000157 1123236637 /nfs/dbraw/zinc/23/66/37/1123236637.db2.gz LERBAKZCIYDMDM-UHFFFAOYSA-N 0 0 262.812 3.588 20 10 CHCDRN C[C@@H](Sc1ncc(Cl)s1)c1csnn1 ZINC000850002149 1123236831 /nfs/dbraw/zinc/23/68/31/1123236831.db2.gz UVXLJVVJZPMKSX-SCSAIBSYSA-N 0 0 263.800 3.501 20 10 CHCDRN COc1cc(CNC2(C(F)F)CC2)c(O)c(C(C)(C)C)c1 ZINC000850285512 1123251428 /nfs/dbraw/zinc/25/14/28/1123251428.db2.gz ZIRAJIAIRXZLNX-UHFFFAOYSA-N 0 0 299.361 3.586 20 10 CHCDRN C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)c1cscn1 ZINC000850359699 1123256425 /nfs/dbraw/zinc/25/64/25/1123256425.db2.gz OMBCRTUUIRENEU-DSYXLKISSA-N 0 0 287.432 3.573 20 10 CHCDRN COc1ccc(N(C)Cc2c(C)nn(C(C)C)c2C)cc1 ZINC000895138964 1123267596 /nfs/dbraw/zinc/26/75/96/1123267596.db2.gz WNVDDKUGZRTCLB-UHFFFAOYSA-N 0 0 287.407 3.726 20 10 CHCDRN COC1CC(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000850481275 1123273161 /nfs/dbraw/zinc/27/31/61/1123273161.db2.gz FTBVZCRHOSMBBL-ZBOXLXRLSA-N 0 0 283.799 3.511 20 10 CHCDRN CC[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1cccc(Cl)c1[O-] ZINC000850483283 1123274616 /nfs/dbraw/zinc/27/46/16/1123274616.db2.gz VVOIDWFAXVDDEQ-ZWNOBZJWSA-N 0 0 283.799 3.654 20 10 CHCDRN CC[C@@H]([NH2+][C@H]1C=CCC1)c1cccc(Cl)c1[O-] ZINC000850507532 1123277042 /nfs/dbraw/zinc/27/70/42/1123277042.db2.gz JQZFGFGTJMASJP-GXFFZTMASA-N 0 0 251.757 3.805 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1cscn1)c1cc(F)cc(F)c1[O-] ZINC000850511276 1123278329 /nfs/dbraw/zinc/27/83/29/1123278329.db2.gz BCSOKPHTHGCUOQ-SFYZADRCSA-N 0 0 284.331 3.539 20 10 CHCDRN CCO[C@H]1C[C@H]([NH2+][C@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000850514510 1123279231 /nfs/dbraw/zinc/27/92/31/1123279231.db2.gz NIWNFQWZXNRDRV-JTNHKYCSSA-N 0 0 283.799 3.654 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(F)cc(F)c1[O-] ZINC000850530857 1123284849 /nfs/dbraw/zinc/28/48/49/1123284849.db2.gz FFVCXACNUQELRN-MIJXAVMKSA-N 0 0 281.346 3.757 20 10 CHCDRN CC[C@H]([NH2+]CCC(C)(C)F)c1ccc(F)cc1[O-] ZINC000850531625 1123284862 /nfs/dbraw/zinc/28/48/62/1123284862.db2.gz LPFMSEIVAJOZGR-LBPRGKRZSA-N 0 0 257.324 3.710 20 10 CHCDRN CCSC1(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000850553117 1123289946 /nfs/dbraw/zinc/28/99/46/1123289946.db2.gz SEHUUJIAEMDQJA-SECBINFHSA-N 0 0 287.375 3.607 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc(Cl)cc1[O-] ZINC000850571699 1123295702 /nfs/dbraw/zinc/29/57/02/1123295702.db2.gz UBUUVTHZKOGOFD-QWRGUYRKSA-N 0 0 283.799 3.511 20 10 CHCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1cccnc1 ZINC000020127754 1123361328 /nfs/dbraw/zinc/36/13/28/1123361328.db2.gz BAOYVYQTWKBBIK-VIFPVBQESA-N 0 0 297.185 3.945 20 10 CHCDRN COc1ccc(N(C)Cc2nc(C)oc2C)cc1Cl ZINC000851809403 1123382564 /nfs/dbraw/zinc/38/25/64/1123382564.db2.gz VXKBYBYYCZXSMN-UHFFFAOYSA-N 0 0 280.755 3.590 20 10 CHCDRN COc1ccc(N(C)Cc2cc(C3CC3)no2)cc1Cl ZINC000851808765 1123382645 /nfs/dbraw/zinc/38/26/45/1123382645.db2.gz PFBUGRANYPYXHM-UHFFFAOYSA-N 0 0 292.766 3.850 20 10 CHCDRN Oc1cc(O)c(CCNc2cccc(C3CCC3)c2)cc1O ZINC001168015951 1123383916 /nfs/dbraw/zinc/38/39/16/1123383916.db2.gz ICLXPVBLFDGDTC-UHFFFAOYSA-N 0 0 299.370 3.726 20 10 CHCDRN CCc1nocc1CN(c1ccc(OC)c(F)c1)C(C)C ZINC000851836446 1123384804 /nfs/dbraw/zinc/38/48/04/1123384804.db2.gz SRKPOWOVVTUOEQ-UHFFFAOYSA-N 0 0 292.354 3.800 20 10 CHCDRN Nc1ccc(NC(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000852790229 1123416031 /nfs/dbraw/zinc/41/60/31/1123416031.db2.gz LSHNWZAPQAYUBM-MAUKXSAKSA-N 0 0 294.398 3.866 20 10 CHCDRN COc1ccc(N(Cc2cc(C)on2)[C@H](C)C2CC2)cc1 ZINC000111236719 1123433134 /nfs/dbraw/zinc/43/31/34/1123433134.db2.gz MDAYSRQHKJQFKR-CYBMUJFWSA-N 0 0 286.375 3.797 20 10 CHCDRN CC1(C)C[C@]1(NC(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000853320870 1123433756 /nfs/dbraw/zinc/43/37/56/1123433756.db2.gz HDTMGKHDCXMBGM-SFHVURJKSA-N 0 0 295.386 3.716 20 10 CHCDRN CN(C(=O)c1ccc(C(C)(C)C)cc1)c1ccc(N)cc1 ZINC000020374181 1123462310 /nfs/dbraw/zinc/46/23/10/1123462310.db2.gz NNOYJRLOHNGRCX-UHFFFAOYSA-N 0 0 282.387 3.843 20 10 CHCDRN CC(C)c1nsc(Sc2ncc(Cl)s2)n1 ZINC000853964454 1123464131 /nfs/dbraw/zinc/46/41/31/1123464131.db2.gz NKPOXLNKMHDCAG-UHFFFAOYSA-N 0 0 277.827 3.923 20 10 CHCDRN Cc1cc(Sc2ncc(Cl)s2)nc(C2CC2)n1 ZINC000853964627 1123464353 /nfs/dbraw/zinc/46/43/53/1123464353.db2.gz PRAVEEJGNLVSNU-UHFFFAOYSA-N 0 0 283.809 3.924 20 10 CHCDRN CC(C)([NH2+]Cc1cc(F)ccc1O)c1ccc(F)cc1F ZINC000895854860 1123522382 /nfs/dbraw/zinc/52/23/82/1123522382.db2.gz PTGOIQJYGZLDTE-UHFFFAOYSA-N 0 0 295.304 3.834 20 10 CHCDRN O=C(C1=CC(=O)CS1)N1CCCC[C@@H]1CC1CCC1 ZINC000856271451 1123553770 /nfs/dbraw/zinc/55/37/70/1123553770.db2.gz GGUXFAHGULCORE-GFCCVEGCSA-N 0 0 279.405 3.639 20 10 CHCDRN CCN(Cc1cncc(Cl)c1)c1ccc(OC)cc1 ZINC000856728513 1123566158 /nfs/dbraw/zinc/56/61/58/1123566158.db2.gz BAJDEOKQZHOVTH-UHFFFAOYSA-N 0 0 276.767 3.770 20 10 CHCDRN Cn1cc(/C=C/C(=O)N(CC(C)(C)C)c2ccccc2)cn1 ZINC000776976872 1123619548 /nfs/dbraw/zinc/61/95/48/1123619548.db2.gz UGVNAARYHUIDOG-ZHACJKMWSA-N 0 0 297.402 3.513 20 10 CHCDRN CCOc1ccc(O)c(CNc2cccc(OC)c2C)c1 ZINC000858240992 1123639302 /nfs/dbraw/zinc/63/93/02/1123639302.db2.gz WJTKGNZNAYLAJZ-UHFFFAOYSA-N 0 0 287.359 3.720 20 10 CHCDRN CCCOc1ccc(NCc2ccccc2O)cc1OC ZINC000858341529 1123645873 /nfs/dbraw/zinc/64/58/73/1123645873.db2.gz HZVBHRFJEMKIME-UHFFFAOYSA-N 0 0 287.359 3.802 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)c1cc(F)cc(F)c1[O-] ZINC000858444327 1123654837 /nfs/dbraw/zinc/65/48/37/1123654837.db2.gz VIVYSCNHLBLEIF-WHOHXGKFSA-N 0 0 281.346 3.757 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1ccns1)c1ccc(F)cc1[O-] ZINC000858577677 1123665087 /nfs/dbraw/zinc/66/50/87/1123665087.db2.gz UNZOSWGHYOXFLG-SKDRFNHKSA-N 0 0 280.368 3.790 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1CCCC12CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858594450 1123666423 /nfs/dbraw/zinc/66/64/23/1123666423.db2.gz QEBFDTPDGOLHAJ-NEPJUHHUSA-N 0 0 290.363 3.531 20 10 CHCDRN CCN(Cc1ccccc1O)C(=O)N[C@@H](C)c1ccccc1 ZINC001202499455 1123669666 /nfs/dbraw/zinc/66/96/66/1123669666.db2.gz IUNONZFFWZFHHQ-AWEZNQCLSA-N 0 0 298.386 3.685 20 10 CHCDRN CC[C@@H](Nc1ccc(OC)cn1)c1ccc(N(C)C)cc1 ZINC000777201071 1123781372 /nfs/dbraw/zinc/78/13/72/1123781372.db2.gz SFLNKNHHVQTYIH-MRXNPFEDSA-N 0 0 285.391 3.719 20 10 CHCDRN CCOc1cccc(CNc2ccc(COC)cc2)c1O ZINC000195462240 1129145273 /nfs/dbraw/zinc/14/52/73/1129145273.db2.gz OTLUEOUDPDADDS-UHFFFAOYSA-N 0 0 287.359 3.549 20 10 CHCDRN C[C@H](c1ccco1)N(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862221213 1123793305 /nfs/dbraw/zinc/79/33/05/1123793305.db2.gz RJVACOMBRKELJW-LLVKDONJSA-N 0 0 294.345 3.817 20 10 CHCDRN CC(C)(O)/C=C/N(c1ccccc1)c1ccc(N)cc1 ZINC001203221056 1123819037 /nfs/dbraw/zinc/81/90/37/1123819037.db2.gz SJPRMLHXHOWNET-OUKQBFOZSA-N 0 0 268.360 3.692 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1ccn(C)n1)c1cccc(Cl)c1[O-] ZINC000840814614 1123821008 /nfs/dbraw/zinc/82/10/08/1123821008.db2.gz CKBACHGBBWZJEB-MFKMUULPSA-N 0 0 293.798 3.581 20 10 CHCDRN CCc1ccc([C@@H](C)C(=O)NCc2cc(C)ccc2O)cc1 ZINC000862759086 1123827235 /nfs/dbraw/zinc/82/72/35/1123827235.db2.gz VERXFSXHCJFUCG-CQSZACIVSA-N 0 0 297.398 3.683 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)CC(C)(C)c2ccccc2)c1 ZINC000862758963 1123827332 /nfs/dbraw/zinc/82/73/32/1123827332.db2.gz RGCACXWQSGSJJL-UHFFFAOYSA-N 0 0 297.398 3.685 20 10 CHCDRN CC[C@@H]1CCCC[C@@H]1C(=O)NCc1cc(C)ccc1O ZINC000862755102 1123827829 /nfs/dbraw/zinc/82/78/29/1123827829.db2.gz CXGSKMYJGXAVPI-HIFRSBDPSA-N 0 0 275.392 3.533 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)Cc2ccccc2C)c1 ZINC000862754311 1123828012 /nfs/dbraw/zinc/82/80/12/1123828012.db2.gz XJHXZKRKTAZIRJ-OAHLLOKOSA-N 0 0 297.398 3.504 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ccn(CC)n1)c1cccc(Cl)c1[O-] ZINC000840840484 1123844059 /nfs/dbraw/zinc/84/40/59/1123844059.db2.gz HPPMXCBLYMDARC-CQSZACIVSA-N 0 0 293.798 3.503 20 10 CHCDRN CCc1ccccc1NC(=S)NCc1ccc(C)c(C)n1 ZINC000840844439 1123848546 /nfs/dbraw/zinc/84/85/46/1123848546.db2.gz RXLWZJCFVUWECT-UHFFFAOYSA-N 0 0 299.443 3.747 20 10 CHCDRN O=[N+]([O-])c1ccc(NCCCSc2nccs2)cc1 ZINC000301781638 1123932366 /nfs/dbraw/zinc/93/23/66/1123932366.db2.gz NFQDPBDQKJYBAN-UHFFFAOYSA-N 0 0 295.389 3.646 20 10 CHCDRN C[C@@H](Nc1noc(C(C)(C)C)n1)c1ccc(N(C)C)cc1 ZINC000302356461 1123966680 /nfs/dbraw/zinc/96/66/80/1123966680.db2.gz DROXEENNEDOWCO-LLVKDONJSA-N 0 0 288.395 3.606 20 10 CHCDRN C[C@@H](Nc1cccc2c1CCO2)c1cc(F)cc(F)c1O ZINC000794836363 1123972690 /nfs/dbraw/zinc/97/26/90/1123972690.db2.gz NSHSAIUGCGYQLG-SECBINFHSA-N 0 0 291.297 3.778 20 10 CHCDRN CCN(CC)c1ccc(CNc2ccc([C@H](C)O)cn2)cc1 ZINC000865450983 1123985574 /nfs/dbraw/zinc/98/55/74/1123985574.db2.gz UJKSWWTXNFYCER-AWEZNQCLSA-N 0 0 299.418 3.593 20 10 CHCDRN C[C@H](Nc1cc(C(C)(C)C)ncn1)c1ccccc1O ZINC000866237320 1124040015 /nfs/dbraw/zinc/04/00/15/1124040015.db2.gz HZEGEGPKWMYMFZ-NSHDSACASA-N 0 0 271.364 3.653 20 10 CHCDRN CC(C)Cc1nsc(N[C@H](C)c2ccccc2O)n1 ZINC000866238871 1124040711 /nfs/dbraw/zinc/04/07/11/1124040711.db2.gz QMVHJJSCHYWLNH-SNVBAGLBSA-N 0 0 277.393 3.615 20 10 CHCDRN CC[C@H](O)CNc1cc2oc3ccccc3c2cc1OC ZINC000819399324 1131244015 /nfs/dbraw/zinc/24/40/15/1131244015.db2.gz SWAXNNQYXRWNSB-NSHDSACASA-N 0 0 285.343 3.777 20 10 CHCDRN COC/C(C)=C\CN(c1ccc(OC)c(F)c1)C(C)C ZINC001168097363 1124582306 /nfs/dbraw/zinc/58/23/06/1124582306.db2.gz VENGXYKQXHEXGX-JYRVWZFOSA-N 0 0 281.371 3.642 20 10 CHCDRN C[C@@H](CCC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204682 1124602340 /nfs/dbraw/zinc/60/23/40/1124602340.db2.gz OYLAIDIYHCAUBT-LBPRGKRZSA-N 0 0 275.392 3.697 20 10 CHCDRN Cc1nc(CCNc2ccccc2NC(C)C)cs1 ZINC000871845498 1124645113 /nfs/dbraw/zinc/64/51/13/1124645113.db2.gz CRTWQAULVUBAID-UHFFFAOYSA-N 0 0 275.421 3.926 20 10 CHCDRN CCCCc1noc(CNc2ccccc2NC(C)C)n1 ZINC000871847911 1124644926 /nfs/dbraw/zinc/64/49/26/1124644926.db2.gz ZSPXFZFIOKHWGW-UHFFFAOYSA-N 0 0 288.395 3.845 20 10 CHCDRN CC[C@H](Nc1cnn(CC)c1C)c1ccc(F)cc1O ZINC000872140133 1124695879 /nfs/dbraw/zinc/69/58/79/1124695879.db2.gz YAGZWZNCQZCZPV-ZDUSSCGKSA-N 0 0 277.343 3.619 20 10 CHCDRN C[C@H](NC(=O)CC(C)(C)c1ccccc1)c1ccccc1O ZINC000827978280 1131278985 /nfs/dbraw/zinc/27/89/85/1131278985.db2.gz NPEDRPXDFSXRDM-AWEZNQCLSA-N 0 0 297.398 3.937 20 10 CHCDRN CCOc1ccc(N(C)CCc2csc(C)n2)cc1 ZINC000124289707 1124730943 /nfs/dbraw/zinc/73/09/43/1124730943.db2.gz GDTPMBQXVPNPHA-UHFFFAOYSA-N 0 0 276.405 3.529 20 10 CHCDRN CCCOc1ccc(CNCc2nccs2)cc1C ZINC000873016049 1124733938 /nfs/dbraw/zinc/73/39/38/1124733938.db2.gz DGXHEDXYLXFQMM-UHFFFAOYSA-N 0 0 276.405 3.530 20 10 CHCDRN C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000019846094 1124752387 /nfs/dbraw/zinc/75/23/87/1124752387.db2.gz RXLZAWXZLFCGOY-GFCCVEGCSA-N 0 0 286.400 3.529 20 10 CHCDRN Cc1ccc(C)c(SCC(=O)Nc2ccc(N)cc2)c1 ZINC000019846549 1124753057 /nfs/dbraw/zinc/75/30/57/1124753057.db2.gz XQNUBRQERBZXDM-UHFFFAOYSA-N 0 0 286.400 3.616 20 10 CHCDRN CN(C)c1ccc(CNc2cccc3ncccc32)cc1 ZINC000019906763 1124768856 /nfs/dbraw/zinc/76/88/56/1124768856.db2.gz CMTKLQNFXSGAPU-UHFFFAOYSA-N 0 0 277.371 3.913 20 10 CHCDRN CC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000124550746 1124773947 /nfs/dbraw/zinc/77/39/47/1124773947.db2.gz DZKPSQWWUGJFSX-LLVKDONJSA-N 0 0 253.773 3.668 20 10 CHCDRN C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124667138 1124803359 /nfs/dbraw/zinc/80/33/59/1124803359.db2.gz ABNSZYSHHMPSIN-ZWNOBZJWSA-N 0 0 253.773 3.714 20 10 CHCDRN O=C(C1=CC(=O)CS1)N(CC1CC1)C1CCCCC1 ZINC000825737491 1124832411 /nfs/dbraw/zinc/83/24/11/1124832411.db2.gz BBIJLCKMBSPFCO-UHFFFAOYSA-N 0 0 279.405 3.639 20 10 CHCDRN C[C@@H](Sc1ncc(C(C)(C)C)s1)c1nccc(N)n1 ZINC000821084972 1131318838 /nfs/dbraw/zinc/31/88/38/1131318838.db2.gz UXNGANZJLSEBSY-MRVPVSSYSA-N 0 0 294.449 3.666 20 10 CHCDRN Cc1cccc(O)c1CNc1ccc(NC(=O)C2CC2)cc1 ZINC000876819889 1124981437 /nfs/dbraw/zinc/98/14/37/1124981437.db2.gz IITHOPGFCRIHMG-UHFFFAOYSA-N 0 0 296.370 3.661 20 10 CHCDRN Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])CC2 ZINC000877015543 1124997729 /nfs/dbraw/zinc/99/77/29/1124997729.db2.gz SXASOCSJRDIYQU-OAHLLOKOSA-N 0 0 289.325 3.756 20 10 CHCDRN CC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1nc(C)cs1 ZINC000877025256 1125000574 /nfs/dbraw/zinc/00/05/74/1125000574.db2.gz DXVBIROLZJNBLJ-NSHDSACASA-N 0 0 298.358 3.676 20 10 CHCDRN CCCC[C@H](C(=O)N(C)c1ccc(N)cc1)C(C)C ZINC000877074986 1125005593 /nfs/dbraw/zinc/00/55/93/1125005593.db2.gz XDXUYLXRAGTTCC-HNNXBMFYSA-N 0 0 262.397 3.694 20 10 CHCDRN Cc1cccc(C)c1C[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877111393 1125009435 /nfs/dbraw/zinc/00/94/35/1125009435.db2.gz HIQVLGQDZHSWNY-UHFFFAOYSA-N 0 0 277.314 3.577 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(C(F)F)nc2)cc1F ZINC000877181082 1125019366 /nfs/dbraw/zinc/01/93/66/1125019366.db2.gz HLMDPHXMXQRKIF-UHFFFAOYSA-N 0 0 296.292 3.803 20 10 CHCDRN [O-]c1c(Br)cccc1C[NH2+][C@H]1CCC12CCC2 ZINC000877478781 1125033057 /nfs/dbraw/zinc/03/30/57/1125033057.db2.gz NGSYSCWFCXTOJF-LBPRGKRZSA-N 0 0 296.208 3.577 20 10 CHCDRN Cc1cccc(O)c1CNc1ccc(F)c([C@@H](C)O)c1 ZINC000877521227 1125039353 /nfs/dbraw/zinc/03/93/53/1125039353.db2.gz SXJGAGBBQOXQIK-LLVKDONJSA-N 0 0 275.323 3.505 20 10 CHCDRN Cc1cccc(O)c1CNc1cccc(C2CC2)n1 ZINC000877551183 1125044074 /nfs/dbraw/zinc/04/40/74/1125044074.db2.gz XDRMAYSAPAOXFV-UHFFFAOYSA-N 0 0 254.333 3.585 20 10 CHCDRN Oc1c(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)ccc2ccccc21 ZINC000877736837 1125070318 /nfs/dbraw/zinc/07/03/18/1125070318.db2.gz DMMCXCNUEVCIHF-CVEARBPZSA-N 0 0 299.439 3.730 20 10 CHCDRN C[C@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1ccccc1O ZINC000717108809 1125150193 /nfs/dbraw/zinc/15/01/93/1125150193.db2.gz GJLHTJGZGWOIKF-KBPBESRZSA-N 0 0 275.392 3.535 20 10 CHCDRN Oc1cccc(Cl)c1CNc1ccc(F)cc1F ZINC000127238250 1125164682 /nfs/dbraw/zinc/16/46/82/1125164682.db2.gz DWJOCWCBVWYHGL-UHFFFAOYSA-N 0 0 269.678 3.936 20 10 CHCDRN C[C@@H](Sc1nccs1)c1cn(-c2ccccc2)nn1 ZINC000127423706 1125186326 /nfs/dbraw/zinc/18/63/26/1125186326.db2.gz VAMIOXBIORCZAZ-SNVBAGLBSA-N 0 0 288.401 3.577 20 10 CHCDRN C[C@@H]([NH2+]Cc1cccc2cccnc21)c1ccc(F)cc1[O-] ZINC000127654026 1125207832 /nfs/dbraw/zinc/20/78/32/1125207832.db2.gz UBOWDLGXQPJEDN-GFCCVEGCSA-N 0 0 296.345 3.930 20 10 CHCDRN CCOc1ccc(O)c(CNc2cc(C)ccc2F)c1 ZINC000128176037 1125249500 /nfs/dbraw/zinc/24/95/00/1125249500.db2.gz JESOYTJRORZUSY-UHFFFAOYSA-N 0 0 275.323 3.851 20 10 CHCDRN CCn1c2ccc(F)cc2nc1NCc1cc(C)ccc1O ZINC000780395519 1125288971 /nfs/dbraw/zinc/28/89/71/1125288971.db2.gz NMNQZGBXEYJQTC-UHFFFAOYSA-N 0 0 299.349 3.821 20 10 CHCDRN Nc1ccc(OCc2cn([C@H]3C=CCCCCC3)nn2)cc1 ZINC000881315740 1125307812 /nfs/dbraw/zinc/30/78/12/1125307812.db2.gz IVTYCBYOMZJLFB-INIZCTEOSA-N 0 0 298.390 3.501 20 10 CHCDRN FC(F)C1(NCc2ccc(N3CCCCC3)cc2)CC1 ZINC000697411585 1125328302 /nfs/dbraw/zinc/32/83/02/1125328302.db2.gz YKLQNEUGLIRCDV-UHFFFAOYSA-N 0 0 280.362 3.564 20 10 CHCDRN CC[C@@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000025377382 1125349559 /nfs/dbraw/zinc/34/95/59/1125349559.db2.gz FUPWZDFJGULJDU-GFCCVEGCSA-N 0 0 270.376 3.622 20 10 CHCDRN C[C@H]1CC[C@@H](CC(=O)NCCCSc2nccs2)C1 ZINC000129825396 1125351716 /nfs/dbraw/zinc/35/17/16/1125351716.db2.gz ANZNBUVPIQAANM-NWDGAFQWSA-N 0 0 298.477 3.568 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000882881666 1125359525 /nfs/dbraw/zinc/35/95/25/1125359525.db2.gz YEAOBOOTCHWDTN-INIZCTEOSA-N 0 0 289.325 3.911 20 10 CHCDRN COc1ccccc1[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882879786 1125359911 /nfs/dbraw/zinc/35/99/11/1125359911.db2.gz MRSSXGXCIUIXPS-JTQLQIEISA-N 0 0 293.313 3.530 20 10 CHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)CC1CC1 ZINC000079769432 1125399661 /nfs/dbraw/zinc/39/96/61/1125399661.db2.gz OCXBEWQLJFWINQ-UHFFFAOYSA-N 0 0 288.416 3.638 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])[C@@H]1CCCOC1 ZINC000883353289 1125400135 /nfs/dbraw/zinc/40/01/35/1125400135.db2.gz ROCJJEFFUDVLAS-ZOWXZIJZSA-N 0 0 297.826 3.901 20 10 CHCDRN CCc1ccccc1CCN(C)c1ccc2c(c1)OCO2 ZINC001168215795 1125414929 /nfs/dbraw/zinc/41/49/29/1125414929.db2.gz WXMZCUVMWRZCED-UHFFFAOYSA-N 0 0 283.371 3.657 20 10 CHCDRN Nc1ccc(NC(=O)N2C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC000883569992 1125416047 /nfs/dbraw/zinc/41/60/47/1125416047.db2.gz 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1129500133 /nfs/dbraw/zinc/50/01/33/1129500133.db2.gz BWUVSRBHJQWVBZ-UHFFFAOYSA-N 0 0 296.414 3.932 20 10 CHCDRN CCN(C[C@H]1CCC(F)(F)C1)c1ccc(OC)c(OC)c1 ZINC000828162521 1131379434 /nfs/dbraw/zinc/37/94/34/1131379434.db2.gz IJVZKKJLURAVGI-LBPRGKRZSA-N 0 0 299.361 3.966 20 10 CHCDRN Cc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000743719909 1129535370 /nfs/dbraw/zinc/53/53/70/1129535370.db2.gz ZTAXBWFKNZESCK-UHFFFAOYSA-N 0 0 295.382 3.509 20 10 CHCDRN C[C@H]1CC(C[NH2+]Cc2cc(F)c(F)cc2[O-])C[C@H](C)C1 ZINC001206612968 1129544257 /nfs/dbraw/zinc/54/42/57/1129544257.db2.gz PARDQGOSBVSXAD-GHMZBOCLSA-N 0 0 283.362 3.832 20 10 CHCDRN Nc1ccc(NC(=O)c2nc(-c3ccccc3)cs2)cc1 ZINC000746478637 1129671785 /nfs/dbraw/zinc/67/17/85/1129671785.db2.gz ILLXJVJWDKJSON-UHFFFAOYSA-N 0 0 295.367 3.645 20 10 CHCDRN CNc1ccccc1NC[C@H](C)c1ccc(O)cc1 ZINC001169542639 1129735162 /nfs/dbraw/zinc/73/51/62/1129735162.db2.gz AWQKWGAFQPTPLM-LBPRGKRZSA-N 0 0 256.349 3.650 20 10 CHCDRN CN(C)c1ccc(CNc2ccnc(C(F)(F)F)c2)cc1 ZINC000804329958 1129737764 /nfs/dbraw/zinc/73/77/64/1129737764.db2.gz FVKUXUOEXNRQRE-UHFFFAOYSA-N 0 0 295.308 3.779 20 10 CHCDRN COCc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1 ZINC000380353184 1129767069 /nfs/dbraw/zinc/76/70/69/1129767069.db2.gz YWFMSWZFOPWMNC-OAHLLOKOSA-N 0 0 269.344 3.638 20 10 CHCDRN CSC[C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000798181868 1129826864 /nfs/dbraw/zinc/82/68/64/1129826864.db2.gz AOUQHIUNKHORJN-IUCAKERBSA-N 0 0 293.354 3.813 20 10 CHCDRN CC[N@H+](Cc1cc(F)cc(C(C)=O)c1[O-])CC(C)(C)C ZINC000380484070 1129831456 /nfs/dbraw/zinc/83/14/56/1129831456.db2.gz VDVGIFWUSVABJO-UHFFFAOYSA-N 0 0 281.371 3.602 20 10 CHCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@@H]1C ZINC000380720275 1129832650 /nfs/dbraw/zinc/83/26/50/1129832650.db2.gz ABNNNJIWDZAVHW-RKDXNWHRSA-N 0 0 274.191 3.929 20 10 CHCDRN CCCC[N@H+](Cc1cccc(Br)c1[O-])C1CC1 ZINC000768291675 1129849553 /nfs/dbraw/zinc/84/95/53/1129849553.db2.gz RIYFCJZLOMGNCN-UHFFFAOYSA-N 0 0 298.224 3.919 20 10 CHCDRN CCC(C)(CC)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000768291365 1129849770 /nfs/dbraw/zinc/84/97/70/1129849770.db2.gz CZBNIDDYNHMCHR-UHFFFAOYSA-N 0 0 289.419 3.714 20 10 CHCDRN CSc1cc(NCc2ccc(O)c(O)c2)ccc1C ZINC001169996965 1129876633 /nfs/dbraw/zinc/87/66/33/1129876633.db2.gz ONCHOJZRMYQWSS-UHFFFAOYSA-N 0 0 275.373 3.740 20 10 CHCDRN CCCCN(Cc1c(O)cccc1OC)CC(F)(F)F ZINC000768867185 1129877714 /nfs/dbraw/zinc/87/77/14/1129877714.db2.gz GSTYDSZQULDHDS-UHFFFAOYSA-N 0 0 291.313 3.565 20 10 CHCDRN C[C@@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccc(F)cc1[O-] ZINC000800501436 1129881405 /nfs/dbraw/zinc/88/14/05/1129881405.db2.gz PNSPSOLXKGJHOY-GFCCVEGCSA-N 0 0 298.361 3.906 20 10 CHCDRN C[C@@H](NC1(C(F)F)CC1)c1ccc2ccccc2c1O ZINC000800502639 1129881833 /nfs/dbraw/zinc/88/18/33/1129881833.db2.gz WHQXPFYDJPTATB-SNVBAGLBSA-N 0 0 277.314 3.994 20 10 CHCDRN C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccsc1 ZINC000800987363 1129902709 /nfs/dbraw/zinc/90/27/09/1129902709.db2.gz WSBBHYQLJHIHNN-UWVGGRQHSA-N 0 0 292.360 3.774 20 10 CHCDRN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000769330502 1129902976 /nfs/dbraw/zinc/90/29/76/1129902976.db2.gz OMBOYXQTSSDAJI-ZDUSSCGKSA-N 0 0 296.208 3.529 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000769416845 1129907671 /nfs/dbraw/zinc/90/76/71/1129907671.db2.gz JRWUUVQKIJRIEK-WDEREUQCSA-N 0 0 278.352 3.530 20 10 CHCDRN Cc1nc([C@H](C)NCc2ccc(N(C)C)cc2C)cs1 ZINC000772865602 1131406564 /nfs/dbraw/zinc/40/65/64/1131406564.db2.gz WASZESVWQIPDGA-LBPRGKRZSA-N 0 0 289.448 3.677 20 10 CHCDRN CC1(C)[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]21 ZINC000769488894 1129909411 /nfs/dbraw/zinc/90/94/11/1129909411.db2.gz UATNMGMIEHRIDP-PHIMTYICSA-N 0 0 286.202 3.787 20 10 CHCDRN CC1=CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000769447007 1129910185 /nfs/dbraw/zinc/91/01/85/1129910185.db2.gz RKUBTKNZSCSCMG-UHFFFAOYSA-N 0 0 272.175 3.851 20 10 CHCDRN C[C@H](CCC1CC1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000769558764 1129917954 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/nfs/dbraw/zinc/95/42/79/1129954279.db2.gz GXVNLKZAGSSZKA-UHFFFAOYSA-N 0 0 296.823 3.914 20 10 CHCDRN CCCC(=CC(=O)NCc1ccccc1O)CCC ZINC000770790834 1129959176 /nfs/dbraw/zinc/95/91/76/1129959176.db2.gz HAETWWCZDZBHMA-UHFFFAOYSA-N 0 0 261.365 3.535 20 10 CHCDRN CN(C)c1ccc(CN(C)c2nc(Cl)ccc2F)cc1 ZINC001156924258 1129979577 /nfs/dbraw/zinc/97/95/77/1129979577.db2.gz TZVZJDQNJHAPKC-UHFFFAOYSA-N 0 0 293.773 3.577 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)NCC1(C)CC1 ZINC000802221499 1129983876 /nfs/dbraw/zinc/98/38/76/1129983876.db2.gz PMWBVTCMVKEEDG-UHFFFAOYSA-N 0 0 290.407 3.504 20 10 CHCDRN Cc1cncc(/C=C\C(=O)N(C)c2ccc(C)c(C)c2)c1 ZINC000772067977 1130004084 /nfs/dbraw/zinc/00/40/84/1130004084.db2.gz MLZBGYICQUQUDE-VURMDHGXSA-N 0 0 280.371 3.683 20 10 CHCDRN C[C@H](Nc1ccc(Cl)cn1)c1ccc(N(C)C)cc1 ZINC000772297807 1130016006 /nfs/dbraw/zinc/01/60/06/1130016006.db2.gz NBPMPVHQSGYCGN-NSHDSACASA-N 0 0 275.783 3.974 20 10 CHCDRN Cc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)nc(C2CC2)n1 ZINC000772301391 1130016740 /nfs/dbraw/zinc/01/67/40/1130016740.db2.gz UAQISOBBGBIUBE-ZDUSSCGKSA-N 0 0 296.418 3.902 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(C2CC2)cc1 ZINC000772571960 1130029687 /nfs/dbraw/zinc/02/96/87/1130029687.db2.gz RAWGHZZQFRUSSH-UHFFFAOYSA-N 0 0 296.370 3.934 20 10 CHCDRN COc1ccc2c(c1)CCN2Cc1cnc(Cl)c(C)c1 ZINC000772599189 1130033063 /nfs/dbraw/zinc/03/30/63/1130033063.db2.gz OICMUYMUGZPFHA-UHFFFAOYSA-N 0 0 288.778 3.615 20 10 CHCDRN COc1ccc(N(C[C@H]2CCO[C@@H](C)C2)C(C)C)cc1F ZINC000785748271 1130056346 /nfs/dbraw/zinc/05/63/46/1130056346.db2.gz ISCAHFXYZMGZDT-KBPBESRZSA-N 0 0 295.398 3.864 20 10 CHCDRN CC(=O)Nc1ccccc1-c1cccc2c1ccn2C ZINC001239781687 1130106068 /nfs/dbraw/zinc/10/60/68/1130106068.db2.gz JNIBLZZXBXPGJV-UHFFFAOYSA-N 0 0 264.328 3.804 20 10 CHCDRN C[N@H+](Cc1ccc2cnccc2c1)Cc1ccccc1O ZINC000787112296 1130130846 /nfs/dbraw/zinc/13/08/46/1130130846.db2.gz RLMVRKPRVKVEAI-UHFFFAOYSA-N 0 0 278.355 3.572 20 10 CHCDRN C[C@H](CC1CCCCC1)NC(=O)NCc1ccccc1O ZINC000787130450 1130132318 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C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000788646130 1130197603 /nfs/dbraw/zinc/19/76/03/1130197603.db2.gz BHGBHQMTXXLGKU-GUBZILKMSA-N 0 0 273.298 3.718 20 10 CHCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCCC2(C)C)cc1 ZINC000788727421 1130204940 /nfs/dbraw/zinc/20/49/40/1130204940.db2.gz DZEHMZAKHGSIMF-MRXNPFEDSA-N 0 0 288.435 3.585 20 10 CHCDRN O=C(NCc1ccccc1O)Nc1ccc(F)cc1Cl ZINC000748437849 1130231925 /nfs/dbraw/zinc/23/19/25/1130231925.db2.gz AFNBFOBBEUYVMD-UHFFFAOYSA-N 0 0 294.713 3.506 20 10 CHCDRN O=C(NCc1ccccc1O)Nc1cccc(Cl)c1F ZINC000748444631 1130232813 /nfs/dbraw/zinc/23/28/13/1130232813.db2.gz XDAIARPLHBSNHV-UHFFFAOYSA-N 0 0 294.713 3.506 20 10 CHCDRN CCC[C@@H](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000748705238 1130242512 /nfs/dbraw/zinc/24/25/12/1130242512.db2.gz DTFIJCQRTSXEHI-CQSZACIVSA-N 0 0 276.424 3.537 20 10 CHCDRN C[C@@H]1CC[C@@H](CN2CCCc3cc(OC(F)F)ccc32)O1 ZINC000789336321 1130245279 /nfs/dbraw/zinc/24/52/79/1130245279.db2.gz OPUILOSARYKEAY-RISCZKNCSA-N 0 0 297.345 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288.416 3.671 20 10 CHCDRN C[C@@H](Oc1ccc(N(C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC001227939437 1131772469 /nfs/dbraw/zinc/77/24/69/1131772469.db2.gz WCJYSROMTOBPTK-GFCCVEGCSA-N 0 0 286.331 3.801 20 10 CHCDRN COc1ccccc1[C@H](C)Oc1ccc(N(C)C)cc1 ZINC001227939941 1131772550 /nfs/dbraw/zinc/77/25/50/1131772550.db2.gz GRFLIHTZQGJHCZ-ZDUSSCGKSA-N 0 0 271.360 3.901 20 10 CHCDRN CN(C)c1ccc(O[C@H]2CCc3c2nccc3Cl)cc1 ZINC001227939003 1131772572 /nfs/dbraw/zinc/77/25/72/1131772572.db2.gz IBWGTCIWNPEZMR-HNNXBMFYSA-N 0 0 288.778 3.867 20 10 CHCDRN CN(C)c1ccc(O[C@H]2C[C@@H](OCc3ccccc3)C2)cc1 ZINC001227939331 1131772703 /nfs/dbraw/zinc/77/27/03/1131772703.db2.gz SHETZRPXIPHBIF-KDURUIRLSA-N 0 0 297.398 3.879 20 10 CHCDRN C[C@H](COc1ccc(N(C)C)cc1)OCc1ccccc1 ZINC001227939260 1131772888 /nfs/dbraw/zinc/77/28/88/1131772888.db2.gz QCIHZLQZJSAILG-OAHLLOKOSA-N 0 0 285.387 3.737 20 10 CHCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCCC2(CCCC2)C1 ZINC001140583213 1131807447 /nfs/dbraw/zinc/80/74/47/1131807447.db2.gz 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/nfs/dbraw/zinc/91/94/86/1131919486.db2.gz HAESQPMITLUCCQ-ZDUSSCGKSA-N 0 0 274.408 3.510 20 10 CHCDRN CCc1ccccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773021741 1131920998 /nfs/dbraw/zinc/92/09/98/1131920998.db2.gz BRNJEEDNFOQONZ-AWEZNQCLSA-N 0 0 296.414 3.806 20 10 CHCDRN Cc1cscc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773019044 1131921037 /nfs/dbraw/zinc/92/10/37/1131921037.db2.gz ODGCIGSBNVWMHV-GFCCVEGCSA-N 0 0 288.416 3.614 20 10 CHCDRN CCCC[N@H+](C)Cc1ccc(N(C)C)cc1Cl ZINC001140921875 1131963992 /nfs/dbraw/zinc/96/39/92/1131963992.db2.gz UBCNSVQCSSXZGQ-UHFFFAOYSA-N 0 0 254.805 3.638 20 10 CHCDRN Oc1cc2ccccc2cc1CNc1ccn2ccnc2c1 ZINC001171401922 1131968806 /nfs/dbraw/zinc/96/88/06/1131968806.db2.gz AZTMSPRIAHGVHI-UHFFFAOYSA-N 0 0 289.338 3.805 20 10 CHCDRN Cc1ncccc1NCc1cc2ccccc2cc1O ZINC001171404927 1131972425 /nfs/dbraw/zinc/97/24/25/1131972425.db2.gz LJPIYTMWMJSLRT-UHFFFAOYSA-N 0 0 264.328 3.861 20 10 CHCDRN COc1cccc([C@H]2CC[N@H+](Cc3ccc(C)cc3O)C2)c1 ZINC001140954457 1131972483 /nfs/dbraw/zinc/97/24/83/1131972483.db2.gz SGGYKGAGBDFLAA-INIZCTEOSA-N 0 0 297.398 3.699 20 10 CHCDRN Cc1ccc(C[N@@H+]2Cc3ccccc3C(C)(C)C2)c(O)c1 ZINC001140957467 1131974085 /nfs/dbraw/zinc/97/40/85/1131974085.db2.gz ACNSWEDQGYVQHW-UHFFFAOYSA-N 0 0 281.399 3.994 20 10 CHCDRN CC(=O)Nc1ccc(N[C@H](C)c2ccccc2O)cc1C ZINC000036919204 1131980552 /nfs/dbraw/zinc/98/05/52/1131980552.db2.gz SDPLMLIFWMQCHF-GFCCVEGCSA-N 0 0 284.359 3.832 20 10 CHCDRN CCC1CN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000837261074 1132061629 /nfs/dbraw/zinc/06/16/29/1132061629.db2.gz GFAGZMQLAQFZRO-UHFFFAOYSA-N 0 0 288.416 3.638 20 10 CHCDRN CC(C)(CCC(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC000837303173 1132062033 /nfs/dbraw/zinc/06/20/33/1132062033.db2.gz XKFOYIKAFJRSGK-UHFFFAOYSA-N 0 0 296.414 3.643 20 10 CHCDRN C[C@@H](NC(=O)[C@@H](F)CC1CCCCC1)c1ccccc1O ZINC001171723522 1132085090 /nfs/dbraw/zinc/08/50/90/1132085090.db2.gz SQVUFAKAAWYHFJ-DOMZBBRYSA-N 0 0 293.382 3.878 20 10 CHCDRN C[C@H](NC(=O)[C@H]1CCCCC1(C)C)c1ccccc1O ZINC001171731143 1132086744 /nfs/dbraw/zinc/08/67/44/1132086744.db2.gz YXCZEUUOMNQZLV-GXTWGEPZSA-N 0 0 275.392 3.786 20 10 CHCDRN C[C@@H](C(=O)N[C@@H](C)c1ccccc1O)[C@@H](C)C(C)(C)C ZINC001171729461 1132086930 /nfs/dbraw/zinc/08/69/30/1132086930.db2.gz DDBMSQOJPZNAAB-UPJWGTAASA-N 0 0 277.408 3.888 20 10 CHCDRN CN1CC(OC2=CC(=O)C=CC2=NNc2ccccc2)C1 ZINC001229813158 1132120559 /nfs/dbraw/zinc/12/05/59/1132120559.db2.gz GZVKYBNYIYBJGR-ISLYRVAYSA-N 0 0 283.331 3.500 20 10 CHCDRN C[C@H](NC(=O)NC1[C@@H](C)CCC[C@@H]1C)c1ccccc1O ZINC001230051250 1132149834 /nfs/dbraw/zinc/14/98/34/1132149834.db2.gz XWWYBXYNSFXZNL-AVGNSLFASA-N 0 0 290.407 3.577 20 10 CHCDRN CCOc1ccc(N(CC)Cc2ccncc2F)cc1 ZINC000838881290 1132155126 /nfs/dbraw/zinc/15/51/26/1132155126.db2.gz ZEYUXLIZKTZZFD-UHFFFAOYSA-N 0 0 274.339 3.646 20 10 CHCDRN COc1cc2c(c(OC)c1)N(CC1CC(F)(F)C1)CCC2 ZINC000839654920 1132228304 /nfs/dbraw/zinc/22/83/04/1132228304.db2.gz KOUKKKWGINXRCW-UHFFFAOYSA-N 0 0 297.345 3.502 20 10 CHCDRN O=C1CC(Oc2ccc(NN=C3C=CC(=O)C=C3)cc2)C1 ZINC001231320637 1132281805 /nfs/dbraw/zinc/28/18/05/1132281805.db2.gz RHJBXLMORQPINA-UHFFFAOYSA-N 0 0 282.299 3.918 20 10 CHCDRN CCN1CC(Oc2ccc(NN=C3C=CC(=O)C=C3)cc2)C1 ZINC001231320916 1132281832 /nfs/dbraw/zinc/28/18/32/1132281832.db2.gz YWWFGKGICDSKLP-UHFFFAOYSA-N 0 0 297.358 3.891 20 10 CHCDRN C[C@@H]([NH2+]C1(C2CCC2)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840811139 1132289975 /nfs/dbraw/zinc/28/99/75/1132289975.db2.gz GTAPRNFUVGRTQG-LLVKDONJSA-N 0 0 290.363 3.674 20 10 CHCDRN Cc1ncsc1CN(C)Cc1c(O)cc(C)cc1Cl ZINC000840914234 1132307917 /nfs/dbraw/zinc/30/79/17/1132307917.db2.gz ROBBSANCEKYKAW-UHFFFAOYSA-N 0 0 296.823 3.751 20 10 CHCDRN CC(C)(C[NH2+]Cc1cccc(Cl)c1[O-])c1cccnc1 ZINC000840975878 1132316270 /nfs/dbraw/zinc/31/62/70/1132316270.db2.gz SHBRCNQXJIXNJU-UHFFFAOYSA-N 0 0 290.794 3.508 20 10 CHCDRN Cc1cccc(CN(C)[C@H](C2CCC2)C(F)(F)F)c1O ZINC001231593634 1132321216 /nfs/dbraw/zinc/32/12/16/1132321216.db2.gz KPTYRAYGUYXNAR-CQSZACIVSA-N 0 0 287.325 3.863 20 10 CHCDRN CCOc1ccc(CNc2ccc3c(c2)CCCN3)c(O)c1 ZINC000841036480 1132321125 /nfs/dbraw/zinc/32/11/25/1132321125.db2.gz OWRQKDDGAKFPFH-UHFFFAOYSA-N 0 0 298.386 3.761 20 10 CHCDRN Cc1cccc(CNc2ccc3c(c2)CCCN3)c1O ZINC000841037528 1132322462 /nfs/dbraw/zinc/32/24/62/1132322462.db2.gz VEDJSAXNUBJFMA-UHFFFAOYSA-N 0 0 268.360 3.671 20 10 CHCDRN CCCOc1ccc(CNc2ccc(N)cc2)cc1OC ZINC000841040817 1132323153 /nfs/dbraw/zinc/32/31/53/1132323153.db2.gz ZRVLXEGZILAILM-UHFFFAOYSA-N 0 0 286.375 3.678 20 10 CHCDRN COc1ccc(C[C@H](C)CNc2ccc(N)cc2)cc1F ZINC000841040164 1132323638 /nfs/dbraw/zinc/32/36/38/1132323638.db2.gz KVJRNNLHGBCLFT-LBPRGKRZSA-N 0 0 288.366 3.707 20 10 CHCDRN CC(C)C[C@@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841299114 1132343233 /nfs/dbraw/zinc/34/32/33/1132343233.db2.gz GCAJJUOQMRZXPV-ZDUSSCGKSA-N 0 0 275.396 3.559 20 10 CHCDRN CC(C)C[C@]1(C)CCCN1C(=O)Nc1ccc(N)cc1 ZINC000841299650 1132343282 /nfs/dbraw/zinc/34/32/82/1132343282.db2.gz LWHDDVQBMFRUNH-INIZCTEOSA-N 0 0 275.396 3.701 20 10 CHCDRN C[C@H]1CCN(C(=O)Nc2ccc(N)cc2)[C@@H](c2ccco2)C1 ZINC000841296652 1132343669 /nfs/dbraw/zinc/34/36/69/1132343669.db2.gz WHAQJPWSSXLFMH-SWLSCSKDSA-N 0 0 299.374 3.867 20 10 CHCDRN Nc1ccc(NC(=O)N2CCCC3(CCCCC3)C2)cc1 ZINC000841299589 1132343731 /nfs/dbraw/zinc/34/37/31/1132343731.db2.gz FIGMERJXPKPVJB-UHFFFAOYSA-N 0 0 287.407 3.847 20 10 CHCDRN Nc1ccc(NC(=O)N(Cc2ccco2)C2CCCC2)cc1 ZINC000841300759 1132344691 /nfs/dbraw/zinc/34/46/91/1132344691.db2.gz UAXVEYIPUUMCMZ-UHFFFAOYSA-N 0 0 299.374 3.839 20 10 CHCDRN COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC001231854226 1132378712 /nfs/dbraw/zinc/37/87/12/1132378712.db2.gz BYJYKHKWFWCPLE-GOSISDBHSA-N 0 0 296.414 3.708 20 10 CHCDRN Cc1cc(C)c(C[N@@H+]2CCc3cc(F)ccc3C2)c(O)c1 ZINC001231848688 1132379212 /nfs/dbraw/zinc/37/92/12/1132379212.db2.gz JKKYNMZJZWQEJS-UHFFFAOYSA-N 0 0 285.362 3.706 20 10 CHCDRN Cc1cc(O)c(C[N@H+](CC2CC2)C2CC2)cc1Cl ZINC001231870056 1132384969 /nfs/dbraw/zinc/38/49/69/1132384969.db2.gz HNRWAUXEDQNDTP-UHFFFAOYSA-N 0 0 265.784 3.728 20 10 CHCDRN Cc1cc(O)c(C[N@H+]2C[C@@H](C)CC23CC3)cc1Cl ZINC001231869947 1132385660 /nfs/dbraw/zinc/38/56/60/1132385660.db2.gz BQBSYCFDGBKEQR-JTQLQIEISA-N 0 0 265.784 3.728 20 10 CHCDRN C[C@@H](Nc1cnn(CC2CC2)c1)c1ccc(Cl)cc1O ZINC000841749666 1132388927 /nfs/dbraw/zinc/38/89/27/1132388927.db2.gz GNYJTHJKXOCXJJ-SNVBAGLBSA-N 0 0 291.782 3.825 20 10 CHCDRN Cc1nnc([C@H](C)N[C@@H](C)c2ccc(Cl)cc2O)s1 ZINC000841751242 1132389464 /nfs/dbraw/zinc/38/94/64/1132389464.db2.gz GILNYKLJBVAPJH-YUMQZZPRSA-N 0 0 297.811 3.617 20 10 CHCDRN CCC1(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CCOCC1 ZINC000841748552 1132389743 /nfs/dbraw/zinc/38/97/43/1132389743.db2.gz AOPYWZCGKYBKCJ-GFCCVEGCSA-N 0 0 297.826 3.903 20 10 CHCDRN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(Cl)cc1[O-] ZINC000841754234 1132391740 /nfs/dbraw/zinc/39/17/40/1132391740.db2.gz JIQZSZVAHUCXSS-FFFUXKDYSA-N 0 0 295.810 3.510 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccc(Cl)cc1[O-] ZINC000841760902 1132396826 /nfs/dbraw/zinc/39/68/26/1132396826.db2.gz VSESTFJRCPURRM-VXGBXAGGSA-N 0 0 290.794 3.895 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@H+](C1CCC1)C1CCOCC1 ZINC001231914140 1132398516 /nfs/dbraw/zinc/39/85/16/1132398516.db2.gz YHUJSFWCOOTASN-UHFFFAOYSA-N 0 0 295.810 3.579 20 10 CHCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC2(CCCC2)CC1 ZINC001142512695 1132402962 /nfs/dbraw/zinc/40/29/62/1132402962.db2.gz IKWAHNBIEWQQBW-UHFFFAOYSA-N 0 0 281.346 3.827 20 10 CHCDRN Cc1cccc(CC[N@@H+](C)Cc2cc(F)c(F)cc2[O-])c1 ZINC001142524981 1132403178 /nfs/dbraw/zinc/40/31/78/1132403178.db2.gz RPBMVXPAVREZBF-UHFFFAOYSA-N 0 0 291.341 3.653 20 10 CHCDRN [O-]c1cc(F)c(F)cc1C[N@H+](Cc1ccccc1)C1CC1 ZINC001142526972 1132403215 /nfs/dbraw/zinc/40/32/15/1132403215.db2.gz DFVTYTMPHLIQOO-UHFFFAOYSA-N 0 0 289.325 3.835 20 10 CHCDRN CC[N@H+](Cc1cc(Cl)c(O)cc1O)C1CCCCC1 ZINC001232259097 1132443928 /nfs/dbraw/zinc/44/39/28/1132443928.db2.gz SDFYJUZLJHEULT-UHFFFAOYSA-N 0 0 283.799 3.906 20 10 CHCDRN COc1cc(O)c(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1Cl ZINC001232269508 1132446740 /nfs/dbraw/zinc/44/67/40/1132446740.db2.gz CKAHMLJZWUKLAX-SMDDNHRTSA-N 0 0 295.810 3.819 20 10 CHCDRN Oc1cc(O)c(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)cc1Cl ZINC001232267677 1132446807 /nfs/dbraw/zinc/44/68/07/1132446807.db2.gz KEIYXHQQGLETGY-NEPJUHHUSA-N 0 0 295.810 3.763 20 10 CHCDRN Cc1c(NCc2ccc(N(C)C)cc2)n[nH]c1C(C)C ZINC000842748214 1132457485 /nfs/dbraw/zinc/45/74/85/1132457485.db2.gz AAVNZBOQPVDXHN-UHFFFAOYSA-N 0 0 272.396 3.520 20 10 CHCDRN C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])CC(F)F ZINC000842892389 1132474723 /nfs/dbraw/zinc/47/47/23/1132474723.db2.gz CAJPBLCFGTWUGF-IUCAKERBSA-N 0 0 277.742 3.988 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1cc(F)cc(F)c1[O-] ZINC000842890859 1132475181 /nfs/dbraw/zinc/47/51/81/1132475181.db2.gz UMMADQQGWHEQEB-JGVFFNPUSA-N 0 0 279.277 3.612 20 10 CHCDRN CCN(Cc1ccccc1O)Cc1c(Cl)ccnc1F ZINC001232618630 1132495188 /nfs/dbraw/zinc/49/51/88/1132495188.db2.gz CSZDWVKCUNRIMB-UHFFFAOYSA-N 0 0 294.757 3.602 20 10 CHCDRN Cc1c(NCc2cccc(Cl)c2O)n[nH]c1C(C)C ZINC000843426415 1132532810 /nfs/dbraw/zinc/53/28/10/1132532810.db2.gz SPHPMOAPYRXBSK-UHFFFAOYSA-N 0 0 279.771 3.813 20 10 CHCDRN [O-]c1c(C[N@@H+]2CCCC3(CC(F)C3)CC2)ccc(F)c1F ZINC001233078142 1132569709 /nfs/dbraw/zinc/56/97/09/1132569709.db2.gz HTMVGELDSWDVEN-UHFFFAOYSA-N 0 0 299.336 3.775 20 10 CHCDRN C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])Cc2ccccc21 ZINC001233074245 1132570706 /nfs/dbraw/zinc/57/07/06/1132570706.db2.gz LTGBDAOHTPQFTB-LLVKDONJSA-N 0 0 289.325 3.790 20 10 CHCDRN O=C(c1ccc2ccccc2c1)N1Cc2cccc(O)c2C1 ZINC001152566628 1132584807 /nfs/dbraw/zinc/58/48/07/1132584807.db2.gz YLEFHHADHHJRDI-UHFFFAOYSA-N 0 0 289.334 3.701 20 10 CHCDRN C[C@H]1Cc2ccccc2C[N@@H+]1Cc1c([O-])ccc(F)c1F ZINC001233335892 1132603078 /nfs/dbraw/zinc/60/30/78/1132603078.db2.gz PWTFQTBUFORUER-NSHDSACASA-N 0 0 289.325 3.617 20 10 CHCDRN Oc1ccc(F)c(F)c1CN1Cc2cccc(Cl)c2C1 ZINC001233335939 1132603317 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1132686906 /nfs/dbraw/zinc/68/69/06/1132686906.db2.gz MAGLOMXIBIGECY-UHFFFAOYSA-N 0 0 293.382 3.898 20 10 CHCDRN Oc1cc(Cl)ccc1Nc1ccnc2ccccc21 ZINC001174039743 1132704750 /nfs/dbraw/zinc/70/47/50/1132704750.db2.gz AYHOWGULNMOINF-UHFFFAOYSA-N 0 0 270.719 3.759 20 10 CHCDRN CCC(CC)(CC)C(=O)NCc1cccc(Cl)c1O ZINC001159033346 1132802951 /nfs/dbraw/zinc/80/29/51/1132802951.db2.gz GOSGNEMDVADRBF-UHFFFAOYSA-N 0 0 283.799 3.878 20 10 CHCDRN CCCC[C@H](CC)C(=O)NCc1cccc(Cl)c1O ZINC001159033096 1132802632 /nfs/dbraw/zinc/80/26/32/1132802632.db2.gz BGFIVBVDWFXTEI-NSHDSACASA-N 0 0 283.799 3.878 20 10 CHCDRN C[C@H](C(=O)NCc1cccc(Cl)c1O)c1ccsc1 ZINC001159033617 1132803748 /nfs/dbraw/zinc/80/37/48/1132803748.db2.gz KOYLFRVBTFODCJ-VIFPVBQESA-N 0 0 295.791 3.527 20 10 CHCDRN CSc1ncc(Cl)cc1Nc1ccc(N)cc1 ZINC001159485671 1132853620 /nfs/dbraw/zinc/85/36/20/1132853620.db2.gz PTAQMGSYNMZUMR-UHFFFAOYSA-N 0 0 265.769 3.783 20 10 CHCDRN CC(C)Oc1ccc(Nc2ccc(N)cc2)cc1F ZINC001159486221 1132855323 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CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000290049119 328257681 /nfs/dbraw/zinc/25/76/81/328257681.db2.gz DYGQLHZOOLZBRY-IWSPIJDZSA-N 0 0 292.206 3.773 20 10 CHCDRN Cc1[nH]c2ccccc2c1C1=CCN(c2cnccn2)CC1 ZINC000368109961 328936247 /nfs/dbraw/zinc/93/62/47/328936247.db2.gz QUBYPXFYTOJNCK-UHFFFAOYSA-N 0 0 290.370 3.560 20 10 CHCDRN C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2cc(F)ccc2O)C1 ZINC000184569727 329259941 /nfs/dbraw/zinc/25/99/41/329259941.db2.gz GVHHDCFXEAUEEC-BLLLJJGKSA-N 0 0 286.350 3.509 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H]1C=CCCC1 ZINC000471225577 331503976 /nfs/dbraw/zinc/50/39/76/331503976.db2.gz DCVHHNCVEMVCEM-OAHLLOKOSA-N 0 0 296.414 3.849 20 10 CHCDRN Cc1ncc(/C=C/C(=O)N(C)c2ccc3cc[nH]c3c2)s1 ZINC000491982290 332378109 /nfs/dbraw/zinc/37/81/09/332378109.db2.gz JIDRPENGEXACGW-AATRIKPKSA-N 0 0 297.383 3.609 20 10 CHCDRN CC(C)([NH2+]Cc1cccc(F)c1[O-])c1ccccc1F ZINC000292691795 519325036 /nfs/dbraw/zinc/32/50/36/519325036.db2.gz BLUIPPYKGWINCI-UHFFFAOYSA-N 0 0 277.314 3.695 20 10 CHCDRN CC(C)C[C@H]1CCCCCN1C(=O)Cc1ccc(N)cc1 ZINC000236662921 519405356 /nfs/dbraw/zinc/40/53/56/519405356.db2.gz DGKIVNWRPSFGCD-QGZVFWFLSA-N 0 0 288.435 3.629 20 10 CHCDRN CCOc1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000296692518 521400325 /nfs/dbraw/zinc/40/03/25/521400325.db2.gz HFBUKDCNDMHPCM-OAHLLOKOSA-N 0 0 269.344 3.890 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C1[C@@H]2CCCC[C@H]12 ZINC000081958473 521686980 /nfs/dbraw/zinc/68/69/80/521686980.db2.gz DDRXLEOVBWYWFJ-FKEKPDDDSA-N 0 0 287.403 3.567 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC1(C)C ZINC000287798397 521688802 /nfs/dbraw/zinc/68/88/02/521688802.db2.gz BYQGKVBFJVOOIK-OAHLLOKOSA-N 0 0 290.407 3.502 20 10 CHCDRN CCSc1cccc(C[NH2+]Cc2cccc(F)c2[O-])c1 ZINC000292784019 521757634 /nfs/dbraw/zinc/75/76/34/521757634.db2.gz LRGUETSZNNIYJS-UHFFFAOYSA-N 0 0 291.391 3.933 20 10 CHCDRN CN(C)c1ccc(CN(C(=O)[C@H]2CC=CCC2)C2CC2)cc1 ZINC000298420775 522163941 /nfs/dbraw/zinc/16/39/41/522163941.db2.gz ZLYPVVCIWPYRHQ-INIZCTEOSA-N 0 0 298.430 3.600 20 10 CHCDRN CC[C@@H](C)Oc1ccc(NC(=O)Cc2ccc(N)cc2)cc1 ZINC000066153916 522264457 /nfs/dbraw/zinc/26/44/57/522264457.db2.gz YOJVKIVUPAZDJG-CYBMUJFWSA-N 0 0 298.386 3.627 20 10 CHCDRN CC[C@@H](CC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000103520591 522466888 /nfs/dbraw/zinc/46/68/88/522466888.db2.gz FLHYERLPCDPRPP-HNNXBMFYSA-N 0 0 297.398 3.935 20 10 CHCDRN CC[C@@H](C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-])OC ZINC000290311669 522549766 /nfs/dbraw/zinc/54/97/66/522549766.db2.gz ZVRCOQCXKMCXHG-GWCFXTLKSA-N 0 0 271.788 3.511 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H]1CCCOC1)c1cccc(Cl)c1[O-] ZINC000287273710 522618290 /nfs/dbraw/zinc/61/82/90/522618290.db2.gz BCHPUROLZHMTPU-FZMZJTMJSA-N 0 0 283.799 3.513 20 10 CHCDRN CC[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000299462809 522702282 /nfs/dbraw/zinc/70/22/82/522702282.db2.gz RMWKIRLYUVYWKE-MRXNPFEDSA-N 0 0 298.386 3.685 20 10 CHCDRN CC[C@@H](Nc1ccc(CNC(C)=O)cc1)c1ccccc1O ZINC000274724281 522957497 /nfs/dbraw/zinc/95/74/97/522957497.db2.gz AEIMDXXKAYXSOM-QGZVFWFLSA-N 0 0 298.386 3.592 20 10 CHCDRN CC[C@H]1CCCC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000280075276 523031821 /nfs/dbraw/zinc/03/18/21/523031821.db2.gz XQVANMPWBYVVQM-ZFWWWQNUSA-N 0 0 275.392 3.567 20 10 CHCDRN CN(C(=O)Cc1ccc(N)cc1)c1ccc(C(C)(C)C)cc1 ZINC000237062793 523849244 /nfs/dbraw/zinc/84/92/44/523849244.db2.gz JZSVWJXSMFZAFV-UHFFFAOYSA-N 0 0 296.414 3.772 20 10 CHCDRN COc1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000062747713 524092916 /nfs/dbraw/zinc/09/29/16/524092916.db2.gz BPUPEQRGQUJLDO-VXGBXAGGSA-N 0 0 289.350 3.952 20 10 CHCDRN COc1ccc(N[C@H](C)c2cc(F)ccc2O)cc1OC ZINC000094616632 524707346 /nfs/dbraw/zinc/70/73/46/524707346.db2.gz ZAODGNPJYDGKHB-SNVBAGLBSA-N 0 0 291.322 3.722 20 10 CHCDRN COc1ccc(N[C@H](C)c2ccc(F)cc2O)cc1 ZINC000062744951 524708538 /nfs/dbraw/zinc/70/85/38/524708538.db2.gz GMNQOKOYGVXJNR-SNVBAGLBSA-N 0 0 261.296 3.713 20 10 CHCDRN COc1ccccc1[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062744976 524782863 /nfs/dbraw/zinc/78/28/63/524782863.db2.gz GIWGALUMECGIER-NEPJUHHUSA-N 0 0 289.350 3.952 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccc(F)c(F)c1[O-] ZINC000281085506 525383420 /nfs/dbraw/zinc/38/34/20/525383420.db2.gz JUCYIRBQCCWQKO-DTWKUNHWSA-N 0 0 291.288 3.756 20 10 CHCDRN C[C@@H](NCc1ccc(N2CCCCC2)cc1)C(F)(F)F ZINC000277180269 525527059 /nfs/dbraw/zinc/52/70/59/525527059.db2.gz SYLGXEYBDOXXML-GFCCVEGCSA-N 0 0 286.341 3.717 20 10 CHCDRN C[C@@H]([NH2+]Cc1ccn(C)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278356422 525542153 /nfs/dbraw/zinc/54/21/53/525542153.db2.gz BCNUDHVTEGRCJY-SECBINFHSA-N 0 0 299.201 3.888 20 10 CHCDRN C[C@H](Nc1ccc2c(c1)CCO2)c1ccccc1O ZINC000037103907 525661976 /nfs/dbraw/zinc/66/19/76/525661976.db2.gz LUSHXJJXWCAXTQ-NSHDSACASA-N 0 0 255.317 3.500 20 10 CHCDRN C[C@H](O)CCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278973359 525714918 /nfs/dbraw/zinc/71/49/18/525714918.db2.gz CGPHPSMKYHZUPZ-IUCAKERBSA-N 0 0 292.206 3.511 20 10 CHCDRN Cc1ccc(C(=O)N(C)C)cc1N[C@H](C)c1ccccc1O ZINC000192761761 526056373 /nfs/dbraw/zinc/05/63/73/526056373.db2.gz FSXNSEQFUPMMRP-CYBMUJFWSA-N 0 0 298.386 3.576 20 10 CHCDRN Cc1nc([C@H]2CCCN2Cc2cccc(F)c2O)cs1 ZINC000275134279 527082363 /nfs/dbraw/zinc/08/23/63/527082363.db2.gz LSOZCOLOPIVQFK-CQSZACIVSA-N 0 0 292.379 3.633 20 10 CHCDRN Nc1ccc(NC(=O)CC[C@@H]2CCc3ccccc32)cc1 ZINC000884009265 1125458869 /nfs/dbraw/zinc/45/88/69/1125458869.db2.gz QWZYZWSBUHYPNE-AWEZNQCLSA-N 0 0 280.371 3.718 20 10 CHCDRN CC(C)c1ccc(O)c(C[NH2+]Cc2cccc(C(=O)[O-])c2)c1 ZINC001588968186 962655354 /nfs/dbraw/zinc/65/53/54/962655354.db2.gz FCNXICKOOACDLE-UHFFFAOYSA-N 0 0 299.370 3.504 20 10 CHCDRN CC(C)[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000186093732 1117990189 /nfs/dbraw/zinc/99/01/89/1117990189.db2.gz ULNJLEWFMGXBAK-DCGLDWPTSA-N 0 0 295.398 3.633 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000211600778 1118146578 /nfs/dbraw/zinc/14/65/78/1118146578.db2.gz OVEVCCWHPWSUED-AOOOYVTPSA-N 0 0 286.202 3.931 20 10 CHCDRN Cc1sc2ncnc(NCc3ccccc3O)c2c1C ZINC000133741734 1125489519 /nfs/dbraw/zinc/48/95/19/1125489519.db2.gz XLFHKUIOXQAVMW-UHFFFAOYSA-N 0 0 285.372 3.626 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccccc1 ZINC001597349451 987485673 /nfs/dbraw/zinc/48/56/73/987485673.db2.gz JRHSSVBCNGXPLN-LRDDRELGSA-N 0 0 299.370 3.892 20 10 CHCDRN C[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccsc1 ZINC001593198945 994177111 /nfs/dbraw/zinc/17/71/11/994177111.db2.gz WBGQLWMBILQEHT-UWVGGRQHSA-N 0 0 291.372 3.564 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccccc1O ZINC000310933172 1120500889 /nfs/dbraw/zinc/50/08/89/1120500889.db2.gz HYLYWDQSTWIZQB-PWSUYJOCSA-N 0 0 255.308 3.621 20 10 CHCDRN C[C@H](CCc1ccco1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124644415 1121310863 /nfs/dbraw/zinc/31/08/63/1121310863.db2.gz XFHKUHMACWZFSR-LLVKDONJSA-N 0 0 279.767 3.750 20 10 CHCDRN CCCCCOC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001193788936 1122716588 /nfs/dbraw/zinc/71/65/88/1122716588.db2.gz WMAREQZFTICTRM-ZDUSSCGKSA-N 0 0 278.396 3.730 20 10 CHCDRN Cc1cc(C(=O)CSc2ncc(Cl)s2)c(C)[nH]1 ZINC000849999428 1123236235 /nfs/dbraw/zinc/23/62/35/1123236235.db2.gz RCKXSCHKVNYLLH-UHFFFAOYSA-N 0 0 286.809 3.716 20 10 CHCDRN FC(F)n1ccnc1CSc1ncc(Cl)s1 ZINC000849999600 1123236244 /nfs/dbraw/zinc/23/62/44/1123236244.db2.gz USLDNDGSBSRJOF-UHFFFAOYSA-N 0 0 281.740 3.680 20 10 CHCDRN CC(C)n1ccc(CSc2ncc(Cl)s2)n1 ZINC000850000372 1123236958 /nfs/dbraw/zinc/23/69/58/1123236958.db2.gz SINRPDPETJOMTE-UHFFFAOYSA-N 0 0 273.814 3.866 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccc(F)cc1[O-] ZINC000850551820 1123290054 /nfs/dbraw/zinc/29/00/54/1123290054.db2.gz KAZYLZHCDKPRDC-DGCLKSJQSA-N 0 0 287.325 3.863 20 10 CHCDRN CSCCCCCCC(=O)N(C)Cc1ccccc1O ZINC000860047895 1123719577 /nfs/dbraw/zinc/71/95/77/1123719577.db2.gz NNBZXXYZUPDKAL-UHFFFAOYSA-N 0 0 295.448 3.664 20 10 CHCDRN CC[N@H+](Cc1cccc(Cl)c1[O-])C1CCCC1 ZINC000124535883 1124771890 /nfs/dbraw/zinc/77/18/90/1124771890.db2.gz BYWHJIZTOAZSKR-UHFFFAOYSA-N 0 0 253.773 3.810 20 10 CHCDRN CC(C)([NH2+]Cc1ccc(F)c(F)c1[O-])c1cccs1 ZINC000877036873 1124999494 /nfs/dbraw/zinc/99/94/94/1124999494.db2.gz UFYVRWDCPGTDMG-UHFFFAOYSA-N 0 0 283.343 3.757 20 10 CHCDRN C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)[C@H](C)C1 ZINC001140466425 1131752566 /nfs/dbraw/zinc/75/25/66/1131752566.db2.gz FJMAXEXBNQVTNS-GHMZBOCLSA-N 0 0 253.773 3.666 20 10 CHCDRN C[C@@H](NC(=O)CCC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773001373 1131915300 /nfs/dbraw/zinc/91/53/00/1131915300.db2.gz TUNQFBMHPIBZHX-CYBMUJFWSA-N 0 0 276.424 3.756 20 10 CHCDRN CSc1cc(F)c(Nc2cccc(O)c2O)cc1F ZINC001215967026 1134735642 /nfs/dbraw/zinc/73/56/42/1134735642.db2.gz CSSIYIOXGJTWRQ-UHFFFAOYSA-N 0 0 283.299 3.842 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C1CCOCC1 ZINC000841748661 1125577607 /nfs/dbraw/zinc/57/76/07/1125577607.db2.gz BBINLPMTLKMOJV-NHYWBVRUSA-N 0 0 297.826 3.901 20 10 CHCDRN CCOc1cccc(C[N@@H+]2CCCCC[C@H]2CC)c1O ZINC000135644505 1125594286 /nfs/dbraw/zinc/59/42/86/1125594286.db2.gz BNLKLFHULVBCKF-OAHLLOKOSA-N 0 0 277.408 3.946 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841755028 1125594436 /nfs/dbraw/zinc/59/44/36/1125594436.db2.gz FUUAJEIRJDTLRK-YWVKMMECSA-N 0 0 271.813 3.590 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc(Cl)cc1[O-] ZINC000841758722 1125600643 /nfs/dbraw/zinc/60/06/43/1125600643.db2.gz URRIHZBOTGGKJZ-PUYPPJJSSA-N 0 0 265.784 3.742 20 10 CHCDRN CCN(CC)c1ccc(CN[C@H](C)c2ncco2)cc1F ZINC000886273885 1125665619 /nfs/dbraw/zinc/66/56/19/1125665619.db2.gz INFFUYPPFVQMKE-GFCCVEGCSA-N 0 0 291.370 3.511 20 10 CHCDRN CCOc1cccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886505148 1125681006 /nfs/dbraw/zinc/68/10/06/1125681006.db2.gz NHUJVOKUXDGKLC-LBPRGKRZSA-N 0 0 289.350 3.781 20 10 CHCDRN COc1cc(C[NH2+][C@@H](C)c2c([O-])cccc2F)ccc1C ZINC000886515552 1125682655 /nfs/dbraw/zinc/68/26/55/1125682655.db2.gz NFQNOKYJZFFSGN-LBPRGKRZSA-N 0 0 289.350 3.699 20 10 CHCDRN Cc1ccncc1[C@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886542611 1125686762 /nfs/dbraw/zinc/68/67/62/1125686762.db2.gz CPTQVEQXTIECLU-RYUDHWBXSA-N 0 0 274.339 3.647 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1c([O-])cccc1F ZINC000886558703 1125690032 /nfs/dbraw/zinc/69/00/32/1125690032.db2.gz QFOTUYYSMUSEEW-HUBLWGQQSA-N 0 0 295.398 3.776 20 10 CHCDRN Cc1cnc([C@@H](C)C[NH2+][C@@H](C)c2c([O-])cccc2F)s1 ZINC000886589839 1125694152 /nfs/dbraw/zinc/69/41/52/1125694152.db2.gz HGYNBFCVIIPRSR-ONGXEEELSA-N 0 0 294.395 3.751 20 10 CHCDRN Cc1cccc(CCC[NH2+][C@H](C)c2c([O-])cccc2F)n1 ZINC000886609122 1125696893 /nfs/dbraw/zinc/69/68/93/1125696893.db2.gz MLASGARGWFNZCN-CYBMUJFWSA-N 0 0 288.366 3.518 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1c([O-])cccc1F ZINC000886638681 1125700779 /nfs/dbraw/zinc/70/07/79/1125700779.db2.gz ZPUMHDVHMQSFBF-BONVTDFDSA-N 0 0 287.334 3.575 20 10 CHCDRN C[C@@]1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1(F)F ZINC000689235682 1130181844 /nfs/dbraw/zinc/18/18/44/1130181844.db2.gz FXSNZWACGOOQKL-NSHDSACASA-N 0 0 296.144 3.834 20 10 CHCDRN COc1cccc([C@@H](C)[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000158113933 1126746189 /nfs/dbraw/zinc/74/61/89/1126746189.db2.gz WHPOGXSSKOPAKG-LLVKDONJSA-N 0 0 291.778 3.905 20 10 CHCDRN Cc1cccc(CNc2ccc3c(c2)OC(C)(C)O3)c1O ZINC000159736261 1126752195 /nfs/dbraw/zinc/75/21/95/1126752195.db2.gz HPAIELVVJUJHAA-UHFFFAOYSA-N 0 0 285.343 3.820 20 10 CHCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCCc1cccs1 ZINC000790980712 1130345343 /nfs/dbraw/zinc/34/53/43/1130345343.db2.gz CEOVBBCBGGJGPJ-UHFFFAOYSA-N 0 0 299.798 3.969 20 10 CHCDRN Cc1ccc(C)c(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001202771066 1126776254 /nfs/dbraw/zinc/77/62/54/1126776254.db2.gz MRNFJZIGBXVJBA-CYBMUJFWSA-N 0 0 284.359 3.892 20 10 CHCDRN C[C@H](c1ncc(C(C)(C)C)o1)N(C)Cc1ccccc1O ZINC000177676204 1126803666 /nfs/dbraw/zinc/80/36/66/1126803666.db2.gz PHXHHXZLOBAPGV-GFCCVEGCSA-N 0 0 288.391 3.871 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2nccs2)cc1 ZINC000191593919 1126953824 /nfs/dbraw/zinc/95/38/24/1126953824.db2.gz DOOZJFBNDBAKNE-UHFFFAOYSA-N 0 0 262.378 3.567 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2cccnc2)cc1 ZINC000191580345 1126953919 /nfs/dbraw/zinc/95/39/19/1126953919.db2.gz NCUZXWPXNWKACK-UHFFFAOYSA-N 0 0 256.349 3.505 20 10 CHCDRN CC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192841708 1126964613 /nfs/dbraw/zinc/96/46/13/1126964613.db2.gz GDNKLPMUSLGTEM-AMIZOPFISA-N 0 0 292.206 3.511 20 10 CHCDRN Cc1c(NCc2cc(F)ccc2O)cnn1C1CCCC1 ZINC000195028740 1126977324 /nfs/dbraw/zinc/97/73/24/1126977324.db2.gz ULTQPSDFFMBGTM-UHFFFAOYSA-N 0 0 289.354 3.763 20 10 CHCDRN CCCCC[C@@H](C(=O)NCc1ccc(O)cc1O)C(C)C ZINC000910951611 1127074754 /nfs/dbraw/zinc/07/47/54/1127074754.db2.gz VBJRAUFSEUJJBU-OAHLLOKOSA-N 0 0 293.407 3.567 20 10 CHCDRN Cc1nnc(CSc2ncc(C(C)(C)C)s2)s1 ZINC000271409196 1127078530 /nfs/dbraw/zinc/07/85/30/1127078530.db2.gz XSYHEQOKOBVQDY-UHFFFAOYSA-N 0 0 285.463 3.893 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SCC(F)(F)F ZINC000913228471 1127127116 /nfs/dbraw/zinc/12/71/16/1127127116.db2.gz KKPDYYGJNUCLEA-UHFFFAOYSA-N 0 0 272.295 3.742 20 10 CHCDRN Cc1cc(Cl)cc(CN2CC[C@@](C)(F)[C@H](F)C2)c1O ZINC001237682048 1131126304 /nfs/dbraw/zinc/12/63/04/1131126304.db2.gz VLBHFAQCTCPCEV-TZMCWYRMSA-N 0 0 289.753 3.626 20 10 CHCDRN Oc1cc(Cl)c(Cl)cc1Nc1ccncc1Cl ZINC001212157306 1127221287 /nfs/dbraw/zinc/22/12/87/1127221287.db2.gz GHWWOMYEQLGYNN-UHFFFAOYSA-N 0 0 289.549 3.913 20 10 CHCDRN CC[C@H]([NH2+]CCC[C@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000285899800 1127246163 /nfs/dbraw/zinc/24/61/63/1127246163.db2.gz BHCVFBZYYQBWLO-ZBFHGGJFSA-N 0 0 295.398 3.921 20 10 CHCDRN CC[C@H](Nc1ccc(CCO)cc1)c1ccc(F)cc1O ZINC000286335672 1127265739 /nfs/dbraw/zinc/26/57/39/1127265739.db2.gz YPQVWCXJNIRJFG-INIZCTEOSA-N 0 0 289.350 3.629 20 10 CHCDRN CC[C@H](CO)[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000286939910 1127275996 /nfs/dbraw/zinc/27/59/96/1127275996.db2.gz LZBJYVFASRZERB-SKDRFNHKSA-N 0 0 292.206 3.511 20 10 CHCDRN CC[C@@H](N[C@@H](C)C(F)(F)F)c1ccc(C)cc1O ZINC000287247624 1127297987 /nfs/dbraw/zinc/29/79/87/1127297987.db2.gz HRECTXOOCVMKEG-GXSJLCMTSA-N 0 0 261.287 3.692 20 10 CHCDRN CC[C@@H]([NH2+]CC[C@@H](C)OC)c1cccc(Cl)c1[O-] ZINC000287733344 1127312911 /nfs/dbraw/zinc/31/29/11/1127312911.db2.gz PFQNZRNGYCODMG-ZWNOBZJWSA-N 0 0 271.788 3.511 20 10 CHCDRN CO[C@@H]1Cc2ccc(N[C@H](C)c3cc(C)ccc3O)cc2C1 ZINC000760881381 1127313166 /nfs/dbraw/zinc/31/31/66/1127313166.db2.gz IEKILOCMUCHAHW-CXAGYDPISA-N 0 0 297.398 3.987 20 10 CHCDRN CO[C@@H]1Cc2ccc(N[C@@H](C)c3ccc(C)cc3O)cc2C1 ZINC000760882088 1127313242 /nfs/dbraw/zinc/31/32/42/1127313242.db2.gz ISJXTJVXZSXTPB-SUMWQHHRSA-N 0 0 297.398 3.987 20 10 CHCDRN CCCC[C@@H](CC)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000157837754 1127397042 /nfs/dbraw/zinc/39/70/42/1127397042.db2.gz BEAWMQHYAGCVBV-QWHCGFSZSA-N 0 0 293.407 3.794 20 10 CHCDRN C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158108936 1127436973 /nfs/dbraw/zinc/43/69/73/1127436973.db2.gz BBFCQPUKDGLRAU-LLVKDONJSA-N 0 0 293.769 3.906 20 10 CHCDRN 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/nfs/dbraw/zinc/95/42/89/1121954289.db2.gz SOMMPXPYRAMPLK-RTZSPXFWSA-N 0 0 286.419 3.555 20 10 CHCDRN CCCCN(Cc1ccc(C)cc1O)CC(F)(F)F ZINC001180275606 1121967311 /nfs/dbraw/zinc/96/73/11/1121967311.db2.gz SXABWEFGZIIUAY-UHFFFAOYSA-N 0 0 275.314 3.865 20 10 CHCDRN CC(C)(C)CCCC(=O)NCc1cccc(Cl)c1O ZINC001180410457 1121987367 /nfs/dbraw/zinc/98/73/67/1121987367.db2.gz QFVURWNIYHQTKG-UHFFFAOYSA-N 0 0 283.799 3.878 20 10 CHCDRN CCC[C@@H](CN(C)c1ccc(OC)c(Cl)c1)OC ZINC001180760016 1122012144 /nfs/dbraw/zinc/01/21/44/1122012144.db2.gz WDJKFGYLWQQOFU-LBPRGKRZSA-N 0 0 271.788 3.600 20 10 CHCDRN CC(C)(C)[C@@H]1CCC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001181205106 1122043507 /nfs/dbraw/zinc/04/35/07/1122043507.db2.gz IXEBGIAHOUTKQM-GFCCVEGCSA-N 0 0 283.362 3.929 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCc2cc(F)ccc2C1 ZINC000779598448 1129030300 /nfs/dbraw/zinc/03/03/00/1129030300.db2.gz ISXQADAAKJUDPV-UHFFFAOYSA-N 0 0 291.753 3.743 20 10 CHCDRN Oc1ccccc1CNc1ccnc2ccsc21 ZINC000774523797 1122178257 /nfs/dbraw/zinc/17/82/57/1122178257.db2.gz KOMIRQZIWABESJ-UHFFFAOYSA-N 0 0 256.330 3.614 20 10 CHCDRN COc1ccc(N(C)Cc2ccc3c(c2)CCCO3)cc1 ZINC001206551686 1122200650 /nfs/dbraw/zinc/20/06/50/1122200650.db2.gz ADCJVLZUFALRST-UHFFFAOYSA-N 0 0 283.371 3.657 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCCC12CC2 ZINC001183196436 1122210702 /nfs/dbraw/zinc/21/07/02/1122210702.db2.gz BOWINQNFTVLNEX-NSHDSACASA-N 0 0 283.774 3.855 20 10 CHCDRN C/C=C\C[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001183168713 1122211715 /nfs/dbraw/zinc/21/17/15/1122211715.db2.gz AHFYLVADGLGLBD-ZRMMWKCHSA-N 0 0 263.356 3.710 20 10 CHCDRN COc1ccc(O)c(CNc2cccc(-c3ccon3)c2)c1 ZINC001183972617 1122249441 /nfs/dbraw/zinc/24/94/41/1122249441.db2.gz WATAYONFKJZVLC-UHFFFAOYSA-N 0 0 296.326 3.668 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC001184265299 1122266249 /nfs/dbraw/zinc/26/62/49/1122266249.db2.gz SEYDUVRXNARWQF-JSGCOSHPSA-N 0 0 265.784 3.714 20 10 CHCDRN CCc1ccccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC001187651961 1122438348 /nfs/dbraw/zinc/43/83/48/1122438348.db2.gz BWZJBHCOTTZCEO-LBPRGKRZSA-N 0 0 284.359 3.837 20 10 CHCDRN CC(C)c1ccc(N(C)C(=O)/C=C/c2cncc(O)c2)cc1 ZINC000779673198 1129056738 /nfs/dbraw/zinc/05/67/38/1129056738.db2.gz VFGDZQMDXCIUDC-RUDMXATFSA-N 0 0 296.370 3.587 20 10 CHCDRN COC(=O)c1cnc(SC[C@H]2CCC[C@H](C)C2)s1 ZINC001189407588 1122500847 /nfs/dbraw/zinc/50/08/47/1122500847.db2.gz FGMNAQXWXDKQOX-UWVGGRQHSA-N 0 0 285.434 3.848 20 10 CHCDRN CCOc1ccc(O)c(CNc2cccc3cc[nH]c32)c1 ZINC000775342141 1122523782 /nfs/dbraw/zinc/52/37/82/1122523782.db2.gz ULSTVGMSNRIEOL-UHFFFAOYSA-N 0 0 282.343 3.884 20 10 CHCDRN CC[C@@H]([NH2+]CCc1ccncc1C)c1ccc(F)cc1[O-] ZINC000285938794 1122527696 /nfs/dbraw/zinc/52/76/96/1122527696.db2.gz DHLYBQIUBACVGM-MRXNPFEDSA-N 0 0 288.366 3.518 20 10 CHCDRN COc1ccc(N(C)CCOCC2CCCC2)cc1Cl ZINC001191891812 1122620514 /nfs/dbraw/zinc/62/05/14/1122620514.db2.gz NAPFCTLMXZRORX-UHFFFAOYSA-N 0 0 297.826 3.992 20 10 CHCDRN CCN(C[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(OC)c(OC)c1 ZINC001192108592 1122628810 /nfs/dbraw/zinc/62/88/10/1122628810.db2.gz YRIBAUCZQRRGMG-BTTYYORXSA-N 0 0 275.392 3.576 20 10 CHCDRN CCN(CCCC(C)(F)F)c1ccc(OC)c(OC)c1 ZINC001192107578 1122629103 /nfs/dbraw/zinc/62/91/03/1122629103.db2.gz JNWRGBGAVCXXII-UHFFFAOYSA-N 0 0 287.350 3.966 20 10 CHCDRN CC[C@H]([NH2+][C@@H](CO)[C@H](C)c1ccccc1)c1ccccc1O ZINC000775525602 1122645742 /nfs/dbraw/zinc/64/57/42/1122645742.db2.gz XNBOUEDVOWTRPY-JLSDUUJJSA-N 0 0 299.414 3.598 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCCOCC1)c1cc(Cl)ccc1O ZINC000775532256 1122648923 /nfs/dbraw/zinc/64/89/23/1122648923.db2.gz UINPTUBHUZJOMI-OCCSQVGLSA-N 0 0 283.799 3.655 20 10 CHCDRN CCC1(NC(=O)c2cc(O)c([O-])c(Cl)c2)CCCCC1 ZINC001193625608 1122702374 /nfs/dbraw/zinc/70/23/74/1122702374.db2.gz KYCWMNQVIOHAAE-UHFFFAOYSA-N 0 0 297.782 3.594 20 10 CHCDRN CCCC[C@@H](CC)COC(=O)NCc1ccccc1O ZINC001193976853 1122733735 /nfs/dbraw/zinc/73/37/35/1122733735.db2.gz RAFTYOVUABRRII-CYBMUJFWSA-N 0 0 279.380 3.835 20 10 CHCDRN Cc1csc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])n1 ZINC000080271800 1129079828 /nfs/dbraw/zinc/07/98/28/1129079828.db2.gz GUZGBVKJYWZCGU-NXEZZACHSA-N 0 0 280.368 3.708 20 10 CHCDRN C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775639702 1122848161 /nfs/dbraw/zinc/84/81/61/1122848161.db2.gz ZEACJAJNTRWHMP-SECBINFHSA-N 0 0 257.736 3.559 20 10 CHCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2CCCF ZINC001195324648 1122861247 /nfs/dbraw/zinc/86/12/47/1122861247.db2.gz QHBQPKSKUOEYOU-AWEZNQCLSA-N 0 0 265.372 3.690 20 10 CHCDRN Cc1cccc(C[N@@H+](C)Cc2cccc(Cl)c2[O-])c1 ZINC000775649081 1122862488 /nfs/dbraw/zinc/86/24/88/1122862488.db2.gz KPXGUJODAVUPFH-UHFFFAOYSA-N 0 0 275.779 3.986 20 10 CHCDRN CC(C)C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000775653693 1122866794 /nfs/dbraw/zinc/86/67/94/1122866794.db2.gz NALKHWDUHCNRDI-UHFFFAOYSA-N 0 0 271.763 3.805 20 10 CHCDRN CC(C)[N@H+](Cc1ccccn1)Cc1cccc(Cl)c1[O-] ZINC000775657499 1122868083 /nfs/dbraw/zinc/86/80/83/1122868083.db2.gz CAQIVXGZQSNCLG-UHFFFAOYSA-N 0 0 290.794 3.851 20 10 CHCDRN CC[C@H](c1ccncc1)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894783028 1122905947 /nfs/dbraw/zinc/90/59/47/1122905947.db2.gz PHDXFLNEOGOGBY-OAHLLOKOSA-N 0 0 292.329 3.649 20 10 CHCDRN CCOc1ccc(OC)cc1N[C@@H](C)c1ccccc1O ZINC000183695002 1129086236 /nfs/dbraw/zinc/08/62/36/1129086236.db2.gz TZRMLWDKJQXBCU-LBPRGKRZSA-N 0 0 287.359 3.973 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCc2ccsc2C1 ZINC000775700772 1122912962 /nfs/dbraw/zinc/91/29/62/1122912962.db2.gz OHTUKGBTOSOMTC-UHFFFAOYSA-N 0 0 279.792 3.665 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000775726632 1122927313 /nfs/dbraw/zinc/92/73/13/1122927313.db2.gz YEYKQEXWWVSFGM-OAHLLOKOSA-N 0 0 287.790 3.863 20 10 CHCDRN C[C@@H](NC(=S)Nc1ccc(F)cc1)c1ccccc1O ZINC001196958076 1122941352 /nfs/dbraw/zinc/94/13/52/1122941352.db2.gz NPSJNBLZXCXUHU-SNVBAGLBSA-N 0 0 290.363 3.579 20 10 CHCDRN Oc1cccc(NC(=S)Nc2ccc(Cl)cc2)c1O ZINC001197331079 1122954140 /nfs/dbraw/zinc/95/41/40/1122954140.db2.gz MPWJZOSJYQOVRG-UHFFFAOYSA-N 0 0 294.763 3.560 20 10 CHCDRN Cc1cccc(NC(=O)[C@@H](C)Sc2nccs2)c1C ZINC000048875605 1122955582 /nfs/dbraw/zinc/95/55/82/1122955582.db2.gz MCRCJXBWJYJBRB-LLVKDONJSA-N 0 0 292.429 3.879 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCCc1ccccc1 ZINC001198981181 1123017702 /nfs/dbraw/zinc/01/77/02/1123017702.db2.gz YMXBQMQGLHTCPV-UHFFFAOYSA-N 0 0 293.769 3.907 20 10 CHCDRN Cc1cc(O)c(C[NH2+][C@H](C)CC(F)(F)F)cc1Cl ZINC000825530468 1123027250 /nfs/dbraw/zinc/02/72/50/1123027250.db2.gz NAUQCZVLYLCPTI-MRVPVSSYSA-N 0 0 281.705 3.785 20 10 CHCDRN O=C(/C=C/C1CCCC1)NCc1ccc(N2CCCC2)cc1 ZINC000843767010 1123093558 /nfs/dbraw/zinc/09/35/58/1123093558.db2.gz WIYVEFVCTSEBNW-FMIVXFBMSA-N 0 0 298.430 3.649 20 10 CHCDRN CCCC1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC001201379352 1123094822 /nfs/dbraw/zinc/09/48/22/1123094822.db2.gz CTSARJSERNXALF-UHFFFAOYSA-N 0 0 271.763 3.855 20 10 CHCDRN CNC(=O)Cc1cccc(Nc2ccc(NC(C)C)cc2)c1 ZINC001201498260 1123111684 /nfs/dbraw/zinc/11/16/84/1123111684.db2.gz VYIXNZBJIMICKE-UHFFFAOYSA-N 0 0 297.402 3.539 20 10 CHCDRN Cc1cc(C(=O)NC2CC=CC2)c(C)n1-c1ccc(F)cc1 ZINC000760034955 1123143882 /nfs/dbraw/zinc/14/38/82/1123143882.db2.gz ZXGHCWZJUAEJCO-UHFFFAOYSA-N 0 0 298.361 3.682 20 10 CHCDRN Cc1cccc(F)c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776221359 1123156038 /nfs/dbraw/zinc/15/60/38/1123156038.db2.gz VUULPCUZYATBFM-UHFFFAOYSA-N 0 0 279.742 3.783 20 10 CHCDRN COc1ccccc1CCCSc1nccs1 ZINC000779760207 1129103686 /nfs/dbraw/zinc/10/36/86/1129103686.db2.gz TVYUOAMFZSROEM-UHFFFAOYSA-N 0 0 265.403 3.877 20 10 CHCDRN COc1cc(O)c(CNc2ccc(C3CC3)cc2)cc1OC ZINC000776256632 1123189480 /nfs/dbraw/zinc/18/94/80/1123189480.db2.gz RJFQNLHBBAMTLH-UHFFFAOYSA-N 0 0 299.370 3.899 20 10 CHCDRN CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001202454180 1123209215 /nfs/dbraw/zinc/20/92/15/1123209215.db2.gz AQAWJWILFUKQBF-GHMZBOCLSA-N 0 0 269.335 3.586 20 10 CHCDRN CC(C)(C)c1nc(CSc2ncc(Cl)s2)no1 ZINC000849998983 1123235891 /nfs/dbraw/zinc/23/58/91/1123235891.db2.gz LPTCSFKCWMTXPS-UHFFFAOYSA-N 0 0 289.813 3.769 20 10 CHCDRN C/C=C/C=C/C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108295926 1123229998 /nfs/dbraw/zinc/22/99/98/1123229998.db2.gz WGAXTPMOOSCMCX-VNKDHWASSA-N 0 0 298.430 3.671 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC[C@H](C)C1 ZINC000776451596 1123233926 /nfs/dbraw/zinc/23/39/26/1123233926.db2.gz XIIBVCDCFIIMPN-HOCLYGCPSA-N 0 0 288.435 3.537 20 10 CHCDRN CCCCCNC(=O)[C@H](C)Sc1ncc(Cl)s1 ZINC000849999425 1123235880 /nfs/dbraw/zinc/23/58/80/1123235880.db2.gz QYWPJXQDWIJSJR-QMMMGPOBSA-N 0 0 292.857 3.584 20 10 CHCDRN CCOc1cccc(CSc2ncc(Cl)s2)n1 ZINC000850000408 1123237056 /nfs/dbraw/zinc/23/70/56/1123237056.db2.gz TYXAUSREQCQVIA-UHFFFAOYSA-N 0 0 286.809 3.883 20 10 CHCDRN Cc1ccccc1NC(=S)NCc1ccc(N(C)C)cc1 ZINC000007371567 1123253956 /nfs/dbraw/zinc/25/39/56/1123253956.db2.gz GZNUGMZBCXYTRE-UHFFFAOYSA-N 0 0 299.443 3.548 20 10 CHCDRN C[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])c1ccccn1 ZINC000850481075 1123273750 /nfs/dbraw/zinc/27/37/50/1123273750.db2.gz FFASGZRAJTZYRK-GHMZBOCLSA-N 0 0 292.329 3.520 20 10 CHCDRN C[C@@H]([NH2+]CCc1ccoc1)c1ccc(Cl)cc1[O-] ZINC000850531036 1123284980 /nfs/dbraw/zinc/28/49/80/1123284980.db2.gz GMHNLVKSMIVDAS-SNVBAGLBSA-N 0 0 265.740 3.532 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1[O-])C1CC1 ZINC000850540435 1123288117 /nfs/dbraw/zinc/28/81/17/1123288117.db2.gz MTKJVTAEJNIDLQ-KGLIPLIRSA-N 0 0 251.345 3.761 20 10 CHCDRN C[C@H]([NH2+][C@]1(C)CC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000850556978 1123291090 /nfs/dbraw/zinc/29/10/90/1123291090.db2.gz SQZCQNRKRMJNDC-RMLUDKJBSA-N 0 0 255.308 3.510 20 10 CHCDRN CC(C)CC1([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000850565956 1123293444 /nfs/dbraw/zinc/29/34/44/1123293444.db2.gz IEHYOACAWXOKIN-JTQLQIEISA-N 0 0 269.335 3.900 20 10 CHCDRN COc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1C ZINC000850579732 1123296422 /nfs/dbraw/zinc/29/64/22/1123296422.db2.gz ZABZSBCBDJSPSC-GFCCVEGCSA-N 0 0 289.350 3.699 20 10 CHCDRN CCOc1ccc(N(CC)Cc2nc(C)oc2C)cc1 ZINC000851830304 1123383092 /nfs/dbraw/zinc/38/30/92/1123383092.db2.gz QIERWABFMRJXCN-UHFFFAOYSA-N 0 0 274.364 3.717 20 10 CHCDRN CCN(Cc1ccsc1)c1ccc(OC)c(OC)c1 ZINC000851828105 1123383227 /nfs/dbraw/zinc/38/32/27/1123383227.db2.gz MVUAJRGWTZXZNG-UHFFFAOYSA-N 0 0 277.389 3.792 20 10 CHCDRN Nc1ccc(NC(=O)[C@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000852789713 1123416002 /nfs/dbraw/zinc/41/60/02/1123416002.db2.gz DLGAFUYQBYTZRJ-IRXDYDNUSA-N 0 0 280.371 3.791 20 10 CHCDRN CC1=C[C@H](C)C[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000797605475 1123459948 /nfs/dbraw/zinc/45/99/48/1123459948.db2.gz ROTFLKTXLGVVSG-JTQLQIEISA-N 0 0 296.208 3.553 20 10 CHCDRN CCCc1nsc(Sc2ncc(Cl)s2)n1 ZINC000853963866 1123463630 /nfs/dbraw/zinc/46/36/30/1123463630.db2.gz CUDMAMVMAVRBGE-UHFFFAOYSA-N 0 0 277.827 3.752 20 10 CHCDRN CN(Cc1ccccc1O)Cc1c(F)cccc1Cl ZINC000112583569 1123494425 /nfs/dbraw/zinc/49/44/25/1123494425.db2.gz CQZYGYLBZRBBQL-UHFFFAOYSA-N 0 0 279.742 3.817 20 10 CHCDRN COc1cc(Cl)cc(CN(CC(F)F)C(C)C)c1O ZINC000273795848 1129128057 /nfs/dbraw/zinc/12/80/57/1129128057.db2.gz WDSXERFQUDJAEL-UHFFFAOYSA-N 0 0 293.741 3.530 20 10 CHCDRN c1csc(SCc2ccc3ccccc3n2)n1 ZINC000114098047 1123557245 /nfs/dbraw/zinc/55/72/45/1123557245.db2.gz YCRKITJXYGBXLJ-UHFFFAOYSA-N 0 0 258.371 3.984 20 10 CHCDRN CCCc1ccc(/C=C2\SC(=S)N(C)C2=O)s1 ZINC000856718369 1123564418 /nfs/dbraw/zinc/56/44/18/1123564418.db2.gz KWSHCTJMGQRMOX-YFHOEESVSA-N 0 0 283.443 3.532 20 10 CHCDRN CC[C@H](CC1CCCC1)C(=O)N(C)Cc1ccccc1O ZINC000114630410 1123570334 /nfs/dbraw/zinc/57/03/34/1123570334.db2.gz NJSJGPPQLUGMHC-OAHLLOKOSA-N 0 0 289.419 3.957 20 10 CHCDRN Cc1cc(Cl)cc([C@H](C)N[C@@H](C)C(F)F)c1O ZINC000883400953 1123574538 /nfs/dbraw/zinc/57/45/38/1123574538.db2.gz YRTYYSWECSNBCY-YUMQZZPRSA-N 0 0 263.715 3.658 20 10 CHCDRN CCC(F)(F)CN[C@@H](C)c1c(C)cc(C)cc1O ZINC000858508786 1123659235 /nfs/dbraw/zinc/65/92/35/1123659235.db2.gz ZNBQVTPKRGVGKP-NSHDSACASA-N 0 0 257.324 3.705 20 10 CHCDRN COc1ccccc1NCc1cc(F)c(N(C)C)cc1F ZINC000858102156 1123632077 /nfs/dbraw/zinc/63/20/77/1123632077.db2.gz TVPLUEHCXXFXCP-UHFFFAOYSA-N 0 0 292.329 3.652 20 10 CHCDRN CC(C)=CCC[C@H](C)NC(=O)NCc1cc(C)ccc1O ZINC000858506366 1123658667 /nfs/dbraw/zinc/65/86/67/1123658667.db2.gz HLLSLPWBBBYXBX-AWEZNQCLSA-N 0 0 290.407 3.635 20 10 CHCDRN C/C=C\C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000858538326 1123659152 /nfs/dbraw/zinc/65/91/52/1123659152.db2.gz UEBUAMSFGSUXCP-TUUFMJSCSA-N 0 0 288.160 3.521 20 10 CHCDRN C[C@@H](NCc1cocn1)c1ccc(N2CCCCCC2)cc1 ZINC000777035329 1123661540 /nfs/dbraw/zinc/66/15/40/1123661540.db2.gz DPYRXIUJQGTDKJ-OAHLLOKOSA-N 0 0 299.418 3.906 20 10 CHCDRN CC1(C)[C@@H](c2ccccc2)[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000859696777 1123705905 /nfs/dbraw/zinc/70/59/05/1123705905.db2.gz PQVRITGKVUQAOU-HOTGVXAUSA-N 0 0 295.386 3.583 20 10 CHCDRN CS[C@@H]1CCC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000117393901 1123728556 /nfs/dbraw/zinc/72/85/56/1123728556.db2.gz SJEOAYYTUSVBKT-GHMZBOCLSA-N 0 0 285.840 3.809 20 10 CHCDRN COc1cc(SC)ccc1NCc1cc(F)ccc1O ZINC000195197152 1129141964 /nfs/dbraw/zinc/14/19/64/1129141964.db2.gz OKXSWIJIBIEIFX-UHFFFAOYSA-N 0 0 293.363 3.874 20 10 CHCDRN COC[C@H](Sc1ncc([N+](=O)[O-])s1)c1ccccc1 ZINC000897003961 1123797178 /nfs/dbraw/zinc/79/71/78/1123797178.db2.gz VWAPKMSOCZNXHS-JTQLQIEISA-N 0 0 296.373 3.531 20 10 CHCDRN C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H](C)C1(F)F ZINC000862444024 1123810600 /nfs/dbraw/zinc/81/06/00/1123810600.db2.gz SJAFFIGWBQOOGX-AOOOYVTPSA-N 0 0 289.753 3.769 20 10 CHCDRN CCC[C@@](C)(CC)C(=O)NCc1cc(C)ccc1O ZINC000862755895 1123827576 /nfs/dbraw/zinc/82/75/76/1123827576.db2.gz MTKZFLAKFDKCNZ-MRXNPFEDSA-N 0 0 263.381 3.533 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)[C@H]2[C@@H]3CCCCCC[C@@H]32)c1 ZINC000862754221 1123827904 /nfs/dbraw/zinc/82/79/04/1123827904.db2.gz UXQDFBPLSQTUFL-QLPKVWCKSA-N 0 0 287.403 3.533 20 10 CHCDRN Cc1ccc(CCC(=O)NCc2cc(C)ccc2O)c(C)c1 ZINC000862759706 1123827951 /nfs/dbraw/zinc/82/79/51/1123827951.db2.gz JNVPSNVATJIARS-UHFFFAOYSA-N 0 0 297.398 3.566 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@H](C)CCOC)c1cccc(Cl)c1[O-] ZINC000840836537 1123838691 /nfs/dbraw/zinc/83/86/91/1123838691.db2.gz ZZGJURMSGWMRGJ-SMDDNHRTSA-N 0 0 285.815 3.759 20 10 CHCDRN CC[C@H]([NH2+]Cc1ccn(CC)n1)c1cccc(Cl)c1[O-] ZINC000840840483 1123843920 /nfs/dbraw/zinc/84/39/20/1123843920.db2.gz HPPMXCBLYMDARC-AWEZNQCLSA-N 0 0 293.798 3.503 20 10 CHCDRN CCc1ccccc1C[NH2+]Cc1cc(Cl)ccc1O ZINC000084200459 1129152631 /nfs/dbraw/zinc/15/26/31/1129152631.db2.gz ZXGMIEBBWYSRSX-UHFFFAOYSA-N 0 0 275.779 3.898 20 10 CHCDRN CN(C)c1ccc(CNc2ccncc2Cl)cc1F ZINC000301551106 1123910881 /nfs/dbraw/zinc/91/08/81/1123910881.db2.gz YGPXVXJSBWKXEO-UHFFFAOYSA-N 0 0 279.746 3.552 20 10 CHCDRN Oc1ccccc1CNc1ccc([C@@H](O)C(F)(F)F)cc1 ZINC000864043411 1123912341 /nfs/dbraw/zinc/91/23/41/1123912341.db2.gz JWXOSRJACVINEI-CQSZACIVSA-N 0 0 297.276 3.600 20 10 CHCDRN CC(C)[C@@H]1[N@H+](Cc2ccc(F)c(F)c2[O-])CC12CC=CC2 ZINC000864050886 1123914145 /nfs/dbraw/zinc/91/41/45/1123914145.db2.gz UKFQGHOGKPAUOU-INIZCTEOSA-N 0 0 293.357 3.847 20 10 CHCDRN c1csc(Sc2ccnc(Cc3ccccc3)n2)n1 ZINC000302013616 1123949771 /nfs/dbraw/zinc/94/97/71/1123949771.db2.gz DORDILAKKLIOPG-UHFFFAOYSA-N 0 0 285.397 3.675 20 10 CHCDRN C[C@H](Nc1noc(C(C)(C)C)n1)c1ccc(N(C)C)cc1 ZINC000302356462 1123966574 /nfs/dbraw/zinc/96/65/74/1123966574.db2.gz DROXEENNEDOWCO-NSHDSACASA-N 0 0 288.395 3.606 20 10 CHCDRN CC(C)c1nnc(N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000302400282 1123967864 /nfs/dbraw/zinc/96/78/64/1123967864.db2.gz KXLZWMVHSUIIHM-LLVKDONJSA-N 0 0 290.436 3.901 20 10 CHCDRN C[C@H](Nc1ncnc2sccc21)c1ccc(N(C)C)cc1 ZINC000302426936 1123968696 /nfs/dbraw/zinc/96/86/96/1123968696.db2.gz OYWFKYYHZSEMCQ-NSHDSACASA-N 0 0 298.415 3.930 20 10 CHCDRN CCc1csc(N[C@@H](C)c2cc(OC)ccc2O)n1 ZINC000865508146 1123990586 /nfs/dbraw/zinc/99/05/86/1123990586.db2.gz MCNZVNQOQQIWFB-VIFPVBQESA-N 0 0 278.377 3.593 20 10 CHCDRN CN(CCCCC(F)(F)F)c1ccc2c(c1)OCO2 ZINC000121319258 1124022942 /nfs/dbraw/zinc/02/29/42/1124022942.db2.gz JCOGPGIJLLHNJI-UHFFFAOYSA-N 0 0 275.270 3.584 20 10 CHCDRN C[C@@H](Nc1ccnc(C(C)(C)C)n1)c1ccccc1O ZINC000866238097 1124040917 /nfs/dbraw/zinc/04/09/17/1124040917.db2.gz MAMGLPRWVJWRMX-LLVKDONJSA-N 0 0 271.364 3.653 20 10 CHCDRN CC[C@@H]([NH2+]CC[C@H]1CCSC1)c1ccc(F)cc1[O-] ZINC000866405184 1124063850 /nfs/dbraw/zinc/06/38/50/1124063850.db2.gz YODSXFDJFHWYIH-SMDDNHRTSA-N 0 0 283.412 3.715 20 10 CHCDRN Cc1ncc([C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])s1 ZINC000866455491 1124067917 /nfs/dbraw/zinc/06/79/17/1124067917.db2.gz MEGZFQVWVJUKTN-SFYZADRCSA-N 0 0 298.358 3.847 20 10 CHCDRN Cc1cc(NCc2ccc(N(C)C)cc2C(F)(F)F)no1 ZINC000794941272 1124093894 /nfs/dbraw/zinc/09/38/94/1124093894.db2.gz MQHCRONXTHHJOK-UHFFFAOYSA-N 0 0 299.296 3.680 20 10 CHCDRN COc1ccc(N(C)Cc2nc3ccccc3o2)cc1F ZINC000121775721 1124102634 /nfs/dbraw/zinc/10/26/34/1124102634.db2.gz BYUVFMITXWVWRH-UHFFFAOYSA-N 0 0 286.306 3.612 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C(F)=C1CCC1 ZINC000819382303 1131246775 /nfs/dbraw/zinc/24/67/75/1131246775.db2.gz LVQBUWURNMDKAZ-UHFFFAOYSA-N 0 0 277.339 3.538 20 10 CHCDRN Cc1oc(C(C)C)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871204414 1124602655 /nfs/dbraw/zinc/60/26/55/1124602655.db2.gz DOYYWTLVQOZHMS-UHFFFAOYSA-N 0 0 285.343 3.573 20 10 CHCDRN C[C@H](CCC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871203919 1124602725 /nfs/dbraw/zinc/60/27/25/1124602725.db2.gz VEPDKJAROQYTET-CQSZACIVSA-N 0 0 295.382 3.818 20 10 CHCDRN C[C@@H](CC(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1 ZINC000871200921 1124602988 /nfs/dbraw/zinc/60/29/88/1124602988.db2.gz NAKNSNBOBDPWFU-LBPRGKRZSA-N 0 0 299.345 3.567 20 10 CHCDRN O=C(CCC1CCCCC1)N1Cc2cccc(O)c2C1 ZINC000871199741 1124602992 /nfs/dbraw/zinc/60/29/92/1124602992.db2.gz TYUXTBMRYKEMLA-UHFFFAOYSA-N 0 0 273.376 3.595 20 10 CHCDRN CC(C)Nc1ccccc1NCc1ncc(Cl)n1C ZINC000871845924 1124644954 /nfs/dbraw/zinc/64/49/54/1124644954.db2.gz NORAEAKVEARAKA-UHFFFAOYSA-N 0 0 278.787 3.506 20 10 CHCDRN CC(C)Nc1ccccc1NCc1nnsc1Cl ZINC000871846400 1124645557 /nfs/dbraw/zinc/64/55/57/1124645557.db2.gz ZRIWMOMIFVUHRW-UHFFFAOYSA-N 0 0 282.800 3.624 20 10 CHCDRN CCCOc1ccc(C[NH2+][C@H](C)CCCC(=O)[O-])cc1C ZINC000871877652 1124649849 /nfs/dbraw/zinc/64/98/49/1124649849.db2.gz PTWWPDDUVLGHIB-CQSZACIVSA-N 0 0 293.407 3.517 20 10 CHCDRN CCn1ncc(N[C@H](C)c2ccc(Cl)cc2O)c1C ZINC000872139749 1124695560 /nfs/dbraw/zinc/69/55/60/1124695560.db2.gz PDQATCLJNQFNTH-SECBINFHSA-N 0 0 279.771 3.744 20 10 CHCDRN CN(c1ccc(CNCc2ccon2)cc1)C1CCCCC1 ZINC000873029384 1124734657 /nfs/dbraw/zinc/73/46/57/1124734657.db2.gz FXWWXWLMPXIYLA-UHFFFAOYSA-N 0 0 299.418 3.733 20 10 CHCDRN CCCOc1ccc(CNCc2cnc(CC)o2)cc1C ZINC000873129046 1124739453 /nfs/dbraw/zinc/73/94/53/1124739453.db2.gz GBQZLWSCRJWVMI-UHFFFAOYSA-N 0 0 288.391 3.624 20 10 CHCDRN C[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])c1ccccc1 ZINC000124662022 1124802644 /nfs/dbraw/zinc/80/26/44/1124802644.db2.gz WTGYIEFHKANTGV-LBPRGKRZSA-N 0 0 275.779 3.939 20 10 CHCDRN CN(C)c1ccc(CNc2ccccc2OC(F)F)cc1 ZINC000020096216 1124805564 /nfs/dbraw/zinc/80/55/64/1124805564.db2.gz IAYGDFCMCYBSKO-UHFFFAOYSA-N 0 0 292.329 3.966 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc(F)c(F)c1 ZINC000124735353 1124810576 /nfs/dbraw/zinc/81/05/76/1124810576.db2.gz PUYVEAFIGCTKLU-UHFFFAOYSA-N 0 0 283.705 3.614 20 10 CHCDRN CCCC[C@@H](CC)COC(=O)NCc1ccc(N)cc1 ZINC001239318835 1131316321 /nfs/dbraw/zinc/31/63/21/1131316321.db2.gz SXAPYZOSBDZIKD-CYBMUJFWSA-N 0 0 278.396 3.711 20 10 CHCDRN CC[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000875176020 1124881697 /nfs/dbraw/zinc/88/16/97/1124881697.db2.gz LUDOQTZDHZQTCE-XJKSGUPXSA-N 0 0 298.386 3.904 20 10 CHCDRN CCCCN(C(=O)/C(C)=C\c1cccnc1)c1cccnc1 ZINC000875884204 1124909445 /nfs/dbraw/zinc/90/94/45/1124909445.db2.gz DIRCMVCWJYVFFR-QINSGFPZSA-N 0 0 295.386 3.713 20 10 CHCDRN C[C@@H](c1cccs1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876590160 1124963715 /nfs/dbraw/zinc/96/37/15/1124963715.db2.gz UDKQBMNDVFQEMQ-VIFPVBQESA-N 0 0 283.343 3.925 20 10 CHCDRN Cc1ccc(CNc2ccccc2N2CCCC2)c(O)c1 ZINC000876834079 1124983455 /nfs/dbraw/zinc/98/34/55/1124983455.db2.gz MEWRKDKRVLOPKN-UHFFFAOYSA-N 0 0 282.387 3.913 20 10 CHCDRN COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876882830 1124987369 /nfs/dbraw/zinc/98/73/69/1124987369.db2.gz SRTHSXMTAFTCSS-SNVBAGLBSA-N 0 0 293.313 3.530 20 10 CHCDRN Cc1cnc(CNCc2ccc(N3CCC(C)CC3)cc2)o1 ZINC000877024600 1124999472 /nfs/dbraw/zinc/99/94/72/1124999472.db2.gz IYXYRUDXNCEDJX-UHFFFAOYSA-N 0 0 299.418 3.509 20 10 CHCDRN Cc1cccc([C@@H](NC(=O)Cc2ccc(N)cc2)C(C)C)c1 ZINC000877053430 1125003065 /nfs/dbraw/zinc/00/30/65/1125003065.db2.gz NAHMKBBNFLBSTL-IBGZPJMESA-N 0 0 296.414 3.633 20 10 CHCDRN CN(C(=O)[C@]1(c2ccccc2)CC1(C)C)c1ccc(N)cc1 ZINC000877074246 1125005898 /nfs/dbraw/zinc/00/58/98/1125005898.db2.gz DMXLQULMFZLQAM-LJQANCHMSA-N 0 0 294.398 3.600 20 10 CHCDRN C[C@@H](CCCc1ccccc1)C(=O)N(C)c1ccc(N)cc1 ZINC000877076904 1125006194 /nfs/dbraw/zinc/00/61/94/1125006194.db2.gz WSTXIIOZFGAITL-HNNXBMFYSA-N 0 0 296.414 3.891 20 10 CHCDRN CCC(CC)(C(=O)N(C)c1ccc(N)cc1)c1ccccc1 ZINC000877077694 1125006343 /nfs/dbraw/zinc/00/63/43/1125006343.db2.gz RDIRTBAFCIWKKX-UHFFFAOYSA-N 0 0 296.414 3.990 20 10 CHCDRN CN(C(=O)C1CC(c2ccc(F)cc2)C1)c1ccc(N)cc1 ZINC000877076066 1125006741 /nfs/dbraw/zinc/00/67/41/1125006741.db2.gz JIKCMHLZWLRDNZ-UHFFFAOYSA-N 0 0 298.361 3.565 20 10 CHCDRN CC[C@@H](Cc1ccccc1C)C(=O)N(C)c1ccc(N)cc1 ZINC000877076471 1125007218 /nfs/dbraw/zinc/00/72/18/1125007218.db2.gz QBHQLZCRKACEGB-HNNXBMFYSA-N 0 0 296.414 3.809 20 10 CHCDRN CO[C@@H]1CCOc2c(NCc3c(C)cccc3O)cccc21 ZINC000877486285 1125032771 /nfs/dbraw/zinc/03/27/71/1125032771.db2.gz LNZRLRMQTOPGMH-QGZVFWFLSA-N 0 0 299.370 3.783 20 10 CHCDRN Cc1cccc(O)c1CNc1ccc([C@H]2CCOC2)cc1 ZINC000877552600 1125044588 /nfs/dbraw/zinc/04/45/88/1125044588.db2.gz FAXRHENVWNRSGL-HNNXBMFYSA-N 0 0 283.371 3.817 20 10 CHCDRN CC(C)(C[NH2+]Cc1ccc(F)c(F)c1[O-])CC(F)(F)F ZINC000877643113 1125058531 /nfs/dbraw/zinc/05/85/31/1125058531.db2.gz 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/nfs/dbraw/zinc/74/74/09/1130747409.db2.gz GSNLRUFHZATOKA-UHFFFAOYSA-N 0 0 298.224 3.838 20 10 CHCDRN CN(CC1(C)COC1)c1ccc(OCc2ccccc2)cc1 ZINC000781964119 1130751076 /nfs/dbraw/zinc/75/10/76/1130751076.db2.gz PHQSUJCFKNGTIE-UHFFFAOYSA-N 0 0 297.398 3.738 20 10 CHCDRN C[C@H](NC(=O)C(C1CCC1)C1CCC1)c1ccccc1O ZINC000827963910 1130754292 /nfs/dbraw/zinc/75/42/92/1130754292.db2.gz DPBFPBLOFKDSGS-LBPRGKRZSA-N 0 0 287.403 3.786 20 10 CHCDRN COc1cc(NCc2ccccc2O)cc2cccnc21 ZINC000813784640 1130783325 /nfs/dbraw/zinc/78/33/25/1130783325.db2.gz MQFVDFFRSMPIEJ-UHFFFAOYSA-N 0 0 280.327 3.561 20 10 CHCDRN CC[C@H](O)C[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000813885843 1130794197 /nfs/dbraw/zinc/79/41/97/1130794197.db2.gz XGRZQOSTGLHALP-KWQFWETISA-N 0 0 292.206 3.511 20 10 CHCDRN Cc1ccncc1/C=C/C(=O)N1CCc2ccc(Cl)cc21 ZINC000783940825 1130864903 /nfs/dbraw/zinc/86/49/03/1130864903.db2.gz GAMBJAVVHMQNNT-HWKANZROSA-N 0 0 298.773 3.646 20 10 CHCDRN C[C@@H](C(=O)N(Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC000747935322 1130865401 /nfs/dbraw/zinc/86/54/01/1130865401.db2.gz WBULALNLTQBETH-CYBMUJFWSA-N 0 0 299.370 3.560 20 10 CHCDRN CSc1ccccc1N(C)C(=O)/C=C/c1cnccc1C ZINC000784059819 1130873783 /nfs/dbraw/zinc/87/37/83/1130873783.db2.gz COMYLWFRNLLVSU-CMDGGOBGSA-N 0 0 298.411 3.788 20 10 CHCDRN CC(C)C(C)(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000784164609 1130886841 /nfs/dbraw/zinc/88/68/41/1130886841.db2.gz DITLLVBDDIOVRW-ZDUSSCGKSA-N 0 0 276.424 3.612 20 10 CHCDRN Cc1cc(O)c(CNc2nc3cc(F)ccc3[nH]2)cc1C ZINC000784326592 1130899714 /nfs/dbraw/zinc/89/97/14/1130899714.db2.gz TVKJQWAROJEADP-UHFFFAOYSA-N 0 0 285.322 3.637 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1ccccn1)c1ccc(F)cc1[O-] ZINC000796665386 1130922706 /nfs/dbraw/zinc/92/27/06/1130922706.db2.gz HYJUZAUGDMHCQE-RISCZKNCSA-N 0 0 274.339 3.728 20 10 CHCDRN CC[C@@H]([NH2+]CCCOC1CCCC1)c1ccc(F)cc1[O-] ZINC000796729175 1130926211 /nfs/dbraw/zinc/92/62/11/1130926211.db2.gz UAPNXDIXIJLCFW-MRXNPFEDSA-N 0 0 295.398 3.921 20 10 CHCDRN CC[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccc(F)cc1[O-] ZINC000796744713 1130927945 /nfs/dbraw/zinc/92/79/45/1130927945.db2.gz ASGXKMGAOBGGCP-DYVFJYSZSA-N 0 0 285.362 3.912 20 10 CHCDRN CCc1nc(C[NH2+][C@@H](CC)c2ccc(F)cc2[O-])cs1 ZINC000796754770 1130928941 /nfs/dbraw/zinc/92/89/41/1130928941.db2.gz LBXQEBDMPIFPQC-ZDUSSCGKSA-N 0 0 294.395 3.791 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1c(C)noc1C)c1ccc(F)cc1[O-] ZINC000796764989 1130930125 /nfs/dbraw/zinc/93/01/25/1130930125.db2.gz WWPNKIIYGXUHEI-OTYXRUKQSA-N 0 0 292.354 3.938 20 10 CHCDRN CCc1cnc(C[NH2+][C@H](CC)c2ccc(F)cc2[O-])s1 ZINC000796775196 1130931024 /nfs/dbraw/zinc/93/10/24/1130931024.db2.gz JNHULMHMKIEBNQ-CYBMUJFWSA-N 0 0 294.395 3.791 20 10 CHCDRN CC[C@@H]([NH2+][C@H](CC)C1CCOCC1)c1ccc(F)cc1[O-] ZINC000796781244 1130932276 /nfs/dbraw/zinc/93/22/76/1130932276.db2.gz XMSNRZKEDFIRSQ-HZPDHXFCSA-N 0 0 295.398 3.777 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H](OC)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000796777689 1130932363 /nfs/dbraw/zinc/93/23/63/1130932363.db2.gz DMMCXKPAZLIQFW-HIFRSBDPSA-N 0 0 283.387 3.633 20 10 CHCDRN CC[C@H]([NH2+]CCSCC(C)C)c1ccc(F)cc1[O-] ZINC000796847166 1130938520 /nfs/dbraw/zinc/93/85/20/1130938520.db2.gz LCBARPRCBXITTH-AWEZNQCLSA-N 0 0 285.428 3.961 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccc(F)cc1[O-] ZINC000796929471 1130946284 /nfs/dbraw/zinc/94/62/84/1130946284.db2.gz OONHTSRHPYQQLD-DZGCQCFKSA-N 0 0 295.398 3.918 20 10 CHCDRN CCOC[C@H]([NH2+][C@H](CC)c1ccc(F)cc1[O-])C(C)C ZINC000796962303 1130949228 /nfs/dbraw/zinc/94/92/28/1130949228.db2.gz UDCLGNQEWDJMEL-CABCVRRESA-N 0 0 283.387 3.633 20 10 CHCDRN CCSCCC[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796989778 1130950778 /nfs/dbraw/zinc/95/07/78/1130950778.db2.gz ROMXQRNTMDQDNR-CYBMUJFWSA-N 0 0 271.401 3.715 20 10 CHCDRN CC[C@H]([NH2+]CC1(C(F)(F)F)CC1)c1ccc(F)cc1[O-] ZINC000797068748 1130958645 /nfs/dbraw/zinc/95/86/45/1130958645.db2.gz CYKLXEBDBSFKTI-NSHDSACASA-N 0 0 291.288 3.915 20 10 CHCDRN 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C[C@@H]1CCN(Cc2c(O)cccc2Cl)CC1(F)F ZINC001140337979 1131702264 /nfs/dbraw/zinc/70/22/64/1131702264.db2.gz PMCJQAXWXWNHJH-SECBINFHSA-N 0 0 275.726 3.523 20 10 CHCDRN CCOc1ccc(OC)cc1N[C@H]1CCc2cccc(O)c21 ZINC000834752663 1131702341 /nfs/dbraw/zinc/70/23/41/1131702341.db2.gz ZGBOCFGDFMDPJP-AWEZNQCLSA-N 0 0 299.370 3.899 20 10 CHCDRN CN1CCCc2cc(N[C@@H]3CCc4cccc(O)c43)ccc21 ZINC000834747919 1131702907 /nfs/dbraw/zinc/70/29/07/1131702907.db2.gz LAUYGXSLZFZLOM-MRXNPFEDSA-N 0 0 294.398 3.874 20 10 CHCDRN CC[C@H](Nc1cc(COC)ccn1)c1ccc(F)cc1O ZINC000846212794 1131703982 /nfs/dbraw/zinc/70/39/82/1131703982.db2.gz NHHBETINWOCPET-AWEZNQCLSA-N 0 0 290.338 3.636 20 10 CHCDRN Oc1cccc2c1[C@H](NCC(F)(F)c1ccccc1)CC2 ZINC000834779640 1131704771 /nfs/dbraw/zinc/70/47/71/1131704771.db2.gz PMICVHQFBNJYEO-CQSZACIVSA-N 0 0 289.325 3.761 20 10 CHCDRN C[C@@H]([NH2+]CCCC1CCOCC1)c1cc(F)cc(F)c1[O-] ZINC000834818852 1131707442 /nfs/dbraw/zinc/70/74/42/1131707442.db2.gz PZJYJIVNJPYGFY-LLVKDONJSA-N 0 0 299.361 3.528 20 10 CHCDRN CCC[C@@H](C[NH2+][C@H](CC)c1cccc(Cl)c1[O-])OC ZINC000834839811 1131710726 /nfs/dbraw/zinc/71/07/26/1131710726.db2.gz DATHIPODHMFJOP-SMDDNHRTSA-N 0 0 285.815 3.901 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)c1nccn1CC)c1ccc(F)cc1[O-] ZINC000834896363 1131721521 /nfs/dbraw/zinc/72/15/21/1131721521.db2.gz VJYVWELBPOGSJD-SMDDNHRTSA-N 0 0 291.370 3.550 20 10 CHCDRN CCc1nc(C[NH2+][C@H](CC)c2cccc(Cl)c2[O-])co1 ZINC000834899391 1131723915 /nfs/dbraw/zinc/72/39/15/1131723915.db2.gz POHYBSJCVRHNDO-CYBMUJFWSA-N 0 0 294.782 3.837 20 10 CHCDRN CC[C@H]([NH2+]Cc1cnc(C)cc1C)c1ccc(F)cc1[O-] ZINC000834904103 1131729259 /nfs/dbraw/zinc/72/92/59/1131729259.db2.gz VIXSPYFYHGYAQQ-INIZCTEOSA-N 0 0 288.366 3.784 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNc1cccc2c1OCC2 ZINC000846750129 1131729183 /nfs/dbraw/zinc/72/91/83/1131729183.db2.gz MVGBDBYPMJHWGV-UHFFFAOYSA-N 0 0 282.387 3.608 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000834909251 1131730928 /nfs/dbraw/zinc/73/09/28/1131730928.db2.gz KDVPEFFCVQXUJV-QWRGUYRKSA-N 0 0 299.361 3.526 20 10 CHCDRN CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000834912887 1131732371 /nfs/dbraw/zinc/73/23/71/1131732371.db2.gz MZOMMPIBSCDDON-SQWLQELKSA-N 0 0 281.371 3.530 20 10 CHCDRN CN(CCC1(O)CCC1)c1ccc(-c2nccs2)cc1 ZINC000846991623 1131767607 /nfs/dbraw/zinc/76/76/07/1131767607.db2.gz GBRBARBUJWIYNZ-UHFFFAOYSA-N 0 0 288.416 3.551 20 10 CHCDRN CC(C)[C@@H](Oc1ccc(N(C)C)cc1)C(F)(F)F ZINC001227939483 1131772266 /nfs/dbraw/zinc/77/22/66/1131772266.db2.gz XCAUJLGSYOCOKV-GFCCVEGCSA-N 0 0 261.287 3.718 20 10 CHCDRN COc1ccccc1[C@@H](C)Oc1ccc(N(C)C)cc1 ZINC001227939940 1131772419 /nfs/dbraw/zinc/77/24/19/1131772419.db2.gz GRFLIHTZQGJHCZ-CYBMUJFWSA-N 0 0 271.360 3.901 20 10 CHCDRN Cc1ccccc1OC[C@@H](C)Oc1ccc(N(C)C)cc1 ZINC001227939124 1131772779 /nfs/dbraw/zinc/77/27/79/1131772779.db2.gz MGDVTNFSOIUISG-OAHLLOKOSA-N 0 0 285.387 3.907 20 10 CHCDRN C[C@H](Oc1ccc(N(C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC001227939438 1131772808 /nfs/dbraw/zinc/77/28/08/1131772808.db2.gz WCJYSROMTOBPTK-LBPRGKRZSA-N 0 0 286.331 3.801 20 10 CHCDRN CC[C@@H](C)Oc1cccc2c1C(=O)c1ccccc1C2=O ZINC001228073474 1131800833 /nfs/dbraw/zinc/80/08/33/1131800833.db2.gz KEVGUVZNDGQWSV-LLVKDONJSA-N 0 0 280.323 3.639 20 10 CHCDRN C/C(=C\C(C)(C)C)C(=O)NCCCSc1nccs1 ZINC000772981617 1131823277 /nfs/dbraw/zinc/82/32/77/1131823277.db2.gz IJTCVPVGNQFSGG-ZHACJKMWSA-N 0 0 298.477 3.734 20 10 CHCDRN COc1ccc(Cl)cc1C[N@H+](C)Cc1ccc(N)cc1 ZINC000036867505 1131909088 /nfs/dbraw/zinc/90/90/88/1131909088.db2.gz SOXMIIJMQDDHJB-UHFFFAOYSA-N 0 0 290.794 3.563 20 10 CHCDRN CCC[C@@H](NC(=O)NCc1cc(C)ccc1O)C(C)(C)C ZINC001228576281 1131913147 /nfs/dbraw/zinc/91/31/47/1131913147.db2.gz IVIMDQSAGBSOLB-OAHLLOKOSA-N 0 0 292.423 3.715 20 10 CHCDRN C/C(=C\C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)(C)C ZINC000773017465 1131918919 /nfs/dbraw/zinc/91/89/19/1131918919.db2.gz GRBXJIODBDWYPD-FNDVETGQSA-N 0 0 288.435 3.922 20 10 CHCDRN Cc1cccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773015480 1131920388 /nfs/dbraw/zinc/92/03/88/1131920388.db2.gz OXYLNWAHKAGIGR-AWEZNQCLSA-N 0 0 282.387 3.552 20 10 CHCDRN CCC[C@@H](C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773014886 1131920623 /nfs/dbraw/zinc/92/06/23/1131920623.db2.gz MNXQCBASZWMVGK-KGLIPLIRSA-N 0 0 276.424 3.756 20 10 CHCDRN C[C@@H](NC(=O)/C=C/C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773017177 1131921002 /nfs/dbraw/zinc/92/10/02/1131921002.db2.gz UPPDROZYFXABPE-XZHRJIJLSA-N 0 0 274.408 3.532 20 10 CHCDRN CC(C)n1cccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773023494 1131921842 /nfs/dbraw/zinc/92/18/42/1131921842.db2.gz YSPFGKYUHUYGOV-CQSZACIVSA-N 0 0 299.418 3.626 20 10 CHCDRN C[C@H]1CC=C(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000836369613 1131966964 /nfs/dbraw/zinc/96/69/64/1131966964.db2.gz ZAIRDMYHVOEIFM-HNNXBMFYSA-N 0 0 298.430 3.649 20 10 CHCDRN Cc1ncc(Cl)c(NCc2cc3ccccc3cc2O)n1 ZINC001171400348 1131967889 /nfs/dbraw/zinc/96/78/89/1131967889.db2.gz USCMIEPMULDIIU-UHFFFAOYSA-N 0 0 299.761 3.909 20 10 CHCDRN CCc1cc(C)nc(NCc2cc3ccccc3cc2O)n1 ZINC001171401904 1131969668 /nfs/dbraw/zinc/96/96/68/1131969668.db2.gz AJKSNUYDAWVURD-UHFFFAOYSA-N 0 0 293.370 3.818 20 10 CHCDRN Cc1ccc(C[N@H+](C)CCc2cccc(F)c2)c(O)c1 ZINC001140953871 1131971631 /nfs/dbraw/zinc/97/16/31/1131971631.db2.gz IDWAGXSIHSLYQO-UHFFFAOYSA-N 0 0 273.351 3.514 20 10 CHCDRN Oc1cc2ccccc2cc1CNc1nccc(Cl)n1 ZINC001171406769 1131974923 /nfs/dbraw/zinc/97/49/23/1131974923.db2.gz FBOISKCCHRQGGH-UHFFFAOYSA-N 0 0 285.734 3.601 20 10 CHCDRN COc1cccc(NCc2cc(Cl)ccc2O)c1F ZINC000689964156 1131977767 /nfs/dbraw/zinc/97/77/67/1131977767.db2.gz FHCMMXQIROBSFO-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN CCCCCC[C@H](CC)C(=O)NCc1ccc(N)cc1 ZINC000837302960 1132061991 /nfs/dbraw/zinc/06/19/91/1132061991.db2.gz OGZHVNQEUKKKFW-HNNXBMFYSA-N 0 0 276.424 3.882 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)C1CCC1 ZINC000837369258 1132069138 /nfs/dbraw/zinc/06/91/38/1132069138.db2.gz MMRLSDDMJDIZDX-AWEZNQCLSA-N 0 0 288.435 3.537 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](CC)CC(F)F ZINC000837466605 1132077366 /nfs/dbraw/zinc/07/73/66/1132077366.db2.gz AUMPHPFQDMZRQU-GFCCVEGCSA-N 0 0 299.361 3.812 20 10 CHCDRN C[C@@H](NC(=O)c1sccc1Cl)c1ccccc1O ZINC001171723225 1132083502 /nfs/dbraw/zinc/08/35/02/1132083502.db2.gz PAXNTCJUXKQRAQ-MRVPVSSYSA-N 0 0 281.764 3.598 20 10 CHCDRN C[C@H](NC(=O)c1cccc(C(F)F)c1)c1ccccc1O ZINC001171729374 1132085900 /nfs/dbraw/zinc/08/59/00/1132085900.db2.gz BDIMYNYIKSPCPU-JTQLQIEISA-N 0 0 291.297 3.821 20 10 CHCDRN Oc1cccc(Nc2ccc(C(F)(F)F)cc2O)c1O ZINC001212632638 1132115394 /nfs/dbraw/zinc/11/53/94/1132115394.db2.gz MXLWERVZOBULIK-UHFFFAOYSA-N 0 0 285.221 3.566 20 10 CHCDRN COc1cccc(O)c1CN1Cc2ccc(Cl)cc2C1 ZINC000839190533 1132190057 /nfs/dbraw/zinc/19/00/57/1132190057.db2.gz HLOBTXGKFALBAL-UHFFFAOYSA-N 0 0 289.762 3.570 20 10 CHCDRN CC[C@H](C)CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839920816 1132239530 /nfs/dbraw/zinc/23/95/30/1132239530.db2.gz FGOLWMNIZBNQSB-ZFWWWQNUSA-N 0 0 290.451 3.544 20 10 CHCDRN c1csc(SC2CC(OCc3ccccc3)C2)n1 ZINC000840194267 1132249152 /nfs/dbraw/zinc/24/91/52/1132249152.db2.gz WLXXOJJUMKFOSI-UHFFFAOYSA-N 0 0 277.414 3.983 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1F)c1ccc(F)cc1[O-] ZINC000840788472 1132287835 /nfs/dbraw/zinc/28/78/35/1132287835.db2.gz OERVQQFEPPPWOI-FUEDEBDSSA-N 0 0 289.325 3.877 20 10 CHCDRN Cc1cnc(NCc2c(O)cc(C)cc2Cl)s1 ZINC000840879834 1132300589 /nfs/dbraw/zinc/30/05/89/1132300589.db2.gz ADZNQLFEDUEMGF-UHFFFAOYSA-N 0 0 268.769 3.731 20 10 CHCDRN COc1cc(NCc2ccc(N(C)C)cc2C)ccc1F ZINC000840938472 1132309597 /nfs/dbraw/zinc/30/95/97/1132309597.db2.gz GELMIAXGGJQCSW-UHFFFAOYSA-N 0 0 288.366 3.821 20 10 CHCDRN C[C@H](C[NH2+]Cc1cc(Cl)c(F)cc1[O-])CC(F)(F)F ZINC000840963828 1132314261 /nfs/dbraw/zinc/31/42/61/1132314261.db2.gz NUSFNKBFFWZFBG-ZETCQYMHSA-N 0 0 299.695 3.863 20 10 CHCDRN Cc1cccc(CN2CCCC[C@@H]2C(F)(F)F)c1O ZINC001231592356 1132319974 /nfs/dbraw/zinc/31/99/74/1132319974.db2.gz KOJHVIGWUMZCIQ-GFCCVEGCSA-N 0 0 273.298 3.617 20 10 CHCDRN CN(C)c1ccc(CNc2ccc3c(c2)CCCN3)cc1 ZINC000841037826 1132323068 /nfs/dbraw/zinc/32/30/68/1132323068.db2.gz XXOFJOQCGOFNRM-UHFFFAOYSA-N 0 0 281.403 3.723 20 10 CHCDRN Nc1ccc(NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000841040123 1132323263 /nfs/dbraw/zinc/32/32/63/1132323263.db2.gz JGMPDLNJNXSMEU-UHFFFAOYSA-N 0 0 281.403 3.871 20 10 CHCDRN COc1c(C)cc(CNc2ccc(N)cc2)cc1C ZINC000841040462 1132323325 /nfs/dbraw/zinc/32/33/25/1132323325.db2.gz RFQWVLDLYDEUOQ-UHFFFAOYSA-N 0 0 256.349 3.506 20 10 CHCDRN CC(=O)c1ccc(N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000841125560 1132330459 /nfs/dbraw/zinc/33/04/59/1132330459.db2.gz PNEVWHZWPAOZDT-UHFFFAOYSA-N 0 0 282.387 3.592 20 10 CHCDRN CC(C)C[C@@H]1CCCCN1C(=O)Nc1ccc(N)cc1 ZINC000841299815 1132342595 /nfs/dbraw/zinc/34/25/95/1132342595.db2.gz JZCBWNVFLNUFCT-HNNXBMFYSA-N 0 0 275.396 3.701 20 10 CHCDRN CCCC[C@H](NC(=O)Nc1ccc(N)cc1)C1CCC1 ZINC000841300132 1132342829 /nfs/dbraw/zinc/34/28/29/1132342829.db2.gz OHLJCRAGTSWBCP-HNNXBMFYSA-N 0 0 275.396 3.749 20 10 CHCDRN Nc1ccc(NC(=O)N(CC2CCCCC2)C2CC2)cc1 ZINC000841301255 1132343164 /nfs/dbraw/zinc/34/31/64/1132343164.db2.gz HFQAAAFQCMBEGW-UHFFFAOYSA-N 0 0 287.407 3.845 20 10 CHCDRN C[C@H]1CCc2ccccc2[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841296264 1132343513 /nfs/dbraw/zinc/34/35/13/1132343513.db2.gz SJBGCNQMBLCCGW-YVEFUNNKSA-N 0 0 295.386 3.714 20 10 CHCDRN CN(C(=O)Nc1ccc(N)cc1)[C@H]1CCCc2ccccc21 ZINC000841301896 1132343937 /nfs/dbraw/zinc/34/39/37/1132343937.db2.gz HVDMYFWGOUBPEI-KRWDZBQOSA-N 0 0 295.386 3.810 20 10 CHCDRN C[C@@H](NC(=O)Nc1ccc(N)cc1)C(C)(C)c1ccccc1 ZINC000841301175 1132344015 /nfs/dbraw/zinc/34/40/15/1132344015.db2.gz DWZCLYKXIJAWNR-CYBMUJFWSA-N 0 0 297.402 3.757 20 10 CHCDRN CC(C)(C)C[C@@H]1CCCN1C(=O)Nc1ccc(N)cc1 ZINC000841301573 1132344349 /nfs/dbraw/zinc/34/43/49/1132344349.db2.gz VDIYFZCBTAKLGD-AWEZNQCLSA-N 0 0 275.396 3.701 20 10 CHCDRN CC[C@H]1CCCC[C@@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841300563 1132344400 /nfs/dbraw/zinc/34/44/00/1132344400.db2.gz WGJQFBOEAKGCRX-QWHCGFSZSA-N 0 0 275.396 3.607 20 10 CHCDRN Nc1ccc(NC(=O)N(C2CC2)C2CCCCC2)cc1 ZINC000841300872 1132344430 /nfs/dbraw/zinc/34/44/30/1132344430.db2.gz VAKBIQZNHALXAV-UHFFFAOYSA-N 0 0 273.380 3.598 20 10 CHCDRN C[C@H]([NH2+]CCCOCC1CC1)c1ccc(Cl)cc1[O-] ZINC000841744232 1132387725 /nfs/dbraw/zinc/38/77/25/1132387725.db2.gz NDYHPIQNNCLVMW-NSHDSACASA-N 0 0 283.799 3.513 20 10 CHCDRN CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841747822 1132390155 /nfs/dbraw/zinc/39/01/55/1132390155.db2.gz DVJGUFRBVBXVGN-ZIBATOQPSA-N 0 0 283.799 3.511 20 10 CHCDRN COCC1(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CCC1 ZINC000841751229 1132390387 /nfs/dbraw/zinc/39/03/87/1132390387.db2.gz GGVLDPYAFHCHDF-LLVKDONJSA-N 0 0 283.799 3.513 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CC=CCC1)c1ccc(Cl)cc1[O-] ZINC000841748956 1132390410 /nfs/dbraw/zinc/39/04/10/1132390410.db2.gz MSWPQFFIDPHLDD-CMPLNLGQSA-N 0 0 251.757 3.805 20 10 CHCDRN CC[C@H](N[C@H](C)c1ccc(Cl)cc1O)C(F)F ZINC000841758947 1132394758 /nfs/dbraw/zinc/39/47/58/1132394758.db2.gz WHJCQVGHPZHLLQ-XCBNKYQSSA-N 0 0 263.715 3.740 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccc(Cl)cc1[O-] ZINC000841761578 1132395543 /nfs/dbraw/zinc/39/55/43/1132395543.db2.gz YNZZWDBLYBOWNS-KOLCDFICSA-N 0 0 271.813 3.592 20 10 CHCDRN C[C@H]([NH2+]CC1CCSCC1)c1ccc(Cl)cc1[O-] ZINC000841763657 1132395565 /nfs/dbraw/zinc/39/55/65/1132395565.db2.gz OFSNZLORYXOSOZ-JTQLQIEISA-N 0 0 285.840 3.839 20 10 CHCDRN C[C@]1(F)CCC[N@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC001231909831 1132399189 /nfs/dbraw/zinc/39/91/89/1132399189.db2.gz QYGSOKIPHKAPEB-AWEZNQCLSA-N 0 0 271.763 3.760 20 10 CHCDRN CC(C)CC(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001142703994 1132431564 /nfs/dbraw/zinc/43/15/64/1132431564.db2.gz GVZXVKSOSYBMMA-XJLOQFNLSA-N 0 0 297.362 3.651 20 10 CHCDRN C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(O)cc2O)C[C@@H]1C ZINC001232258634 1132444970 /nfs/dbraw/zinc/44/49/70/1132444970.db2.gz BNRWHEIZFDZROZ-MNOVXSKESA-N 0 0 283.799 3.619 20 10 CHCDRN COc1cc([O-])c(C[NH+](C(C)C)C(C)C)cc1Cl ZINC001232264581 1132447341 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ZINC001218197510 1135068134 /nfs/dbraw/zinc/06/81/34/1135068134.db2.gz PPXDNGLJXBIOHB-ZDUSSCGKSA-N 0 0 267.250 3.951 20 10 CHCDRN Nc1ccc(O[C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC001218303471 1135082540 /nfs/dbraw/zinc/08/25/40/1135082540.db2.gz QBDCRQXCFWTVBN-OAHLLOKOSA-N 0 0 259.736 3.989 20 10 CHCDRN CC[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000312932538 1135135315 /nfs/dbraw/zinc/13/53/15/1135135315.db2.gz LBIBIQVWQNEZMJ-WCQYABFASA-N 0 0 293.382 3.744 20 10 CHCDRN CCNC(=O)c1cccc(N[C@H](C)c2ccc(C)cc2O)c1 ZINC000315616251 1135157149 /nfs/dbraw/zinc/15/71/49/1135157149.db2.gz VSNHSKGPGIHMPA-CYBMUJFWSA-N 0 0 298.386 3.623 20 10 CHCDRN CCc1nc(CSc2ncc(C(C)(C)C)s2)no1 ZINC000164149693 261341924 /nfs/dbraw/zinc/34/19/24/261341924.db2.gz WKYLMELQPIVUNC-UHFFFAOYSA-N 0 0 283.422 3.678 20 10 CHCDRN CN(C(=O)CCC1CCCCC1)c1ccc(N)cc1 ZINC000034939035 171898841 /nfs/dbraw/zinc/89/88/41/171898841.db2.gz IHTPDURSTZPHME-UHFFFAOYSA-N 0 0 260.381 3.592 20 10 CHCDRN CC(=O)Nc1ccc(N[C@H](C)c2cc(C)ccc2O)cc1 ZINC000035628489 172307276 /nfs/dbraw/zinc/30/72/76/172307276.db2.gz IGKIVBDCZCPCGQ-GFCCVEGCSA-N 0 0 284.359 3.832 20 10 CHCDRN Cc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)OCO3)c1 ZINC000035628733 172308341 /nfs/dbraw/zinc/30/83/41/172308341.db2.gz AQKHFMJTJSRGHP-LLVKDONJSA-N 0 0 271.316 3.602 20 10 CHCDRN C[C@@H](Sc1nccs1)C(=O)c1ccc(F)cc1 ZINC000040677205 174373981 /nfs/dbraw/zinc/37/39/81/174373981.db2.gz KEDLSCODCIYFPA-MRVPVSSYSA-N 0 0 267.350 3.646 20 10 CHCDRN Cc1n[nH]cc1C[N@H+](Cc1ccccc1O)C1CCCCC1 ZINC000156785502 261132090 /nfs/dbraw/zinc/13/20/90/261132090.db2.gz DGJFZUQEVMODIK-UHFFFAOYSA-N 0 0 299.418 3.759 20 10 CHCDRN CC(=O)CCCSc1ncc(C(C)(C)C)s1 ZINC000164043862 261338392 /nfs/dbraw/zinc/33/83/92/261338392.db2.gz WTRSSZBADIKNTR-UHFFFAOYSA-N 0 0 257.424 3.902 20 10 CHCDRN COC[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185149187 262043946 /nfs/dbraw/zinc/04/39/46/262043946.db2.gz UPJLBLPFEBUJEH-RKDXNWHRSA-N 0 0 292.206 3.632 20 10 CHCDRN C[C@@H]([NH2+]CCCOC1CCCC1)c1ccc(F)cc1[O-] ZINC000185240564 262047862 /nfs/dbraw/zinc/04/78/62/262047862.db2.gz GNSPYVOXYUHSBW-GFCCVEGCSA-N 0 0 281.371 3.531 20 10 CHCDRN C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1ccc(F)cc1[O-] ZINC000185669311 262064661 /nfs/dbraw/zinc/06/46/61/262064661.db2.gz MSKCUZQLBKAWRN-CYBMUJFWSA-N 0 0 295.398 3.515 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)CCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000185689912 262066431 /nfs/dbraw/zinc/06/64/31/262066431.db2.gz DYDWSUPINLYWGR-DTWKUNHWSA-N 0 0 292.206 3.511 20 10 CHCDRN Cc1csc([C@@H](C)C[NH2+][C@H](C)c2ccc(F)cc2[O-])n1 ZINC000186561847 262098971 /nfs/dbraw/zinc/09/89/71/262098971.db2.gz KFJHPMDAKGYFKS-GXSJLCMTSA-N 0 0 294.395 3.751 20 10 CHCDRN CCCC[C@@H](CCC)CNC(=O)Cc1ccc(N)cc1 ZINC000161954872 264302719 /nfs/dbraw/zinc/30/27/19/264302719.db2.gz VZRNHUGMTVZEBG-OAHLLOKOSA-N 0 0 276.424 3.534 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185387103 327839366 /nfs/dbraw/zinc/83/93/66/327839366.db2.gz APJDZECNEPHBAQ-DTWKUNHWSA-N 0 0 290.190 3.529 20 10 CHCDRN C[C@@H]1CN(Cc2c[nH]nc2-c2cccnc2)c2ccccc21 ZINC000180679061 329221799 /nfs/dbraw/zinc/22/17/99/329221799.db2.gz QXLJABKILGOHEQ-CYBMUJFWSA-N 0 0 290.370 3.595 20 10 CHCDRN CCN(C(=O)/C=C\c1cncs1)c1ccccc1C ZINC000493771986 329375529 /nfs/dbraw/zinc/37/55/29/329375529.db2.gz PBXBIUCZXBVFHE-HJWRWDBZSA-N 0 0 272.373 3.518 20 10 CHCDRN Cc1cc(O)c(CNc2cccc3c2OCC3)cc1C ZINC000527762379 330281407 /nfs/dbraw/zinc/28/14/07/330281407.db2.gz LYGAJDJXEQDVRB-UHFFFAOYSA-N 0 0 269.344 3.556 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H]1CCC[C@@H]1C ZINC000471240909 331504578 /nfs/dbraw/zinc/50/45/78/331504578.db2.gz CWJXRMQLLMIKGA-ZFWWWQNUSA-N 0 0 298.430 3.929 20 10 CHCDRN Cc1cc(C(=O)NCc2c(C)c3ccccc3n2C)oc1C ZINC000548100478 334140101 /nfs/dbraw/zinc/14/01/01/334140101.db2.gz CGSQRMZDEKTHLR-UHFFFAOYSA-N 0 0 296.370 3.627 20 10 CHCDRN CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000037007160 518971406 /nfs/dbraw/zinc/97/14/06/518971406.db2.gz DKAOUYIGTDIRDZ-HOTGVXAUSA-N 0 0 288.435 3.532 20 10 CHCDRN CC(C)CC1(C(=O)N(C)Cc2ccccc2O)CCC1 ZINC000269160564 519618342 /nfs/dbraw/zinc/61/83/42/519618342.db2.gz SOTUFEDDHNNVTQ-UHFFFAOYSA-N 0 0 275.392 3.567 20 10 CHCDRN CC(C)CC1(C(=O)NCCc2ccc(N)cc2)CCCC1 ZINC000094897665 519621445 /nfs/dbraw/zinc/62/14/45/519621445.db2.gz QBLGKQIBLXRKQS-UHFFFAOYSA-N 0 0 288.435 3.534 20 10 CHCDRN CCCCC[C@@H](C)CC(=O)NCCc1ccc(N)cc1 ZINC000236800557 520279574 /nfs/dbraw/zinc/27/95/74/520279574.db2.gz HPEBLYQNCFWJQY-CQSZACIVSA-N 0 0 276.424 3.534 20 10 CHCDRN CCOc1cc(F)ccc1NCc1cccc(OC)c1O ZINC000037092130 520748483 /nfs/dbraw/zinc/74/84/83/520748483.db2.gz NUEQSTUQITWSSO-UHFFFAOYSA-N 0 0 291.322 3.551 20 10 CHCDRN CCC[C@@H]1CCC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000294987783 520826951 /nfs/dbraw/zinc/82/69/51/520826951.db2.gz YRQQJQAWCDKYOJ-HIFRSBDPSA-N 0 0 275.392 3.567 20 10 CHCDRN CCN(CC)c1ccc(CNCc2csc(C)n2)cc1 ZINC000040443756 520907897 /nfs/dbraw/zinc/90/78/97/520907897.db2.gz KNPYMGFVVNAUEN-UHFFFAOYSA-N 0 0 289.448 3.588 20 10 CHCDRN CCOc1ccc(N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000019902337 521135548 /nfs/dbraw/zinc/13/55/48/521135548.db2.gz YHTIHHHNPKXIBV-LBPRGKRZSA-N 0 0 287.359 3.973 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)c1ccoc1CC ZINC000280942725 521689921 /nfs/dbraw/zinc/68/99/21/521689921.db2.gz ZGXUZYZYCBCRJD-UHFFFAOYSA-N 0 0 287.359 3.600 20 10 CHCDRN COc1c(F)cc(N[C@@H]2CCc3cccc(O)c32)cc1F ZINC000296942463 521858915 /nfs/dbraw/zinc/85/89/15/521858915.db2.gz QKFVVCXZXNPYFP-CYBMUJFWSA-N 0 0 291.297 3.778 20 10 CHCDRN CC[C@H](CC1CCCC1)C(=O)NCCc1ccc(N)cc1 ZINC000236942311 522123420 /nfs/dbraw/zinc/12/34/20/522123420.db2.gz IPLZNJQWBLKJMT-MRXNPFEDSA-N 0 0 288.435 3.534 20 10 CHCDRN CN(C)c1ccc(CN(C)C(=O)CC(C)(C)C2CC2)cc1 ZINC000292894616 522166036 /nfs/dbraw/zinc/16/60/36/522166036.db2.gz XAJYMLGOXBSRGV-UHFFFAOYSA-N 0 0 288.435 3.537 20 10 CHCDRN COc1cc(C)c(NCc2cc(C)ccc2O)cc1OC ZINC000071407625 522214828 /nfs/dbraw/zinc/21/48/28/522214828.db2.gz JKFXFVQZKVATJT-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN CCc1nn(C)cc1N[C@H](C)c1cc(Cl)ccc1O ZINC000273353052 522703009 /nfs/dbraw/zinc/70/30/09/522703009.db2.gz CDYNCZGQZPMOBQ-SECBINFHSA-N 0 0 279.771 3.515 20 10 CHCDRN C[C@H](CCc1ccco1)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276149348 524262525 /nfs/dbraw/zinc/26/25/25/524262525.db2.gz DRQAMVBYUXHYSZ-GHMZBOCLSA-N 0 0 295.329 3.935 20 10 CHCDRN COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062744977 524725397 /nfs/dbraw/zinc/72/53/97/524725397.db2.gz GIWGALUMECGIER-VXGBXAGGSA-N 0 0 289.350 3.952 20 10 CHCDRN Cc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)CCO3)c1 ZINC000037103955 525363083 /nfs/dbraw/zinc/36/30/83/525363083.db2.gz RAWWGDKYEZTMSH-GFCCVEGCSA-N 0 0 269.344 3.809 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000281109010 525410800 /nfs/dbraw/zinc/41/08/00/525410800.db2.gz LRCVRDUGFOYXHH-UWVGGRQHSA-N 0 0 273.298 3.617 20 10 CHCDRN CSCCCCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276879267 525430004 /nfs/dbraw/zinc/43/00/04/525430004.db2.gz FZJQVBQHJIULLH-SNVBAGLBSA-N 0 0 289.391 3.854 20 10 CHCDRN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1nccs1 ZINC000070942453 525526014 /nfs/dbraw/zinc/52/60/14/525526014.db2.gz WLLZWONKALZTRY-CYBMUJFWSA-N 0 0 287.432 3.594 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCSC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278631673 525649095 /nfs/dbraw/zinc/64/90/95/525649095.db2.gz HAAVQWVGNYHIBF-HTQZYQBOSA-N 0 0 292.231 3.855 20 10 CHCDRN Cc1ccc([C@@H](C)Nc2ccc(OC3COC3)cc2)c(O)c1 ZINC000188656233 525751285 /nfs/dbraw/zinc/75/12/85/525751285.db2.gz CVOAOMDJDRLDND-CYBMUJFWSA-N 0 0 299.370 3.651 20 10 CHCDRN C[C@@H](Sc1nccs1)C(=O)C1(c2ccccc2)CC1 ZINC000289660492 526007195 /nfs/dbraw/zinc/00/71/95/526007195.db2.gz OLXRNSASADZQKY-LLVKDONJSA-N 0 0 289.425 3.925 20 10 CHCDRN CSc1ccc(N[C@H](C)c2ccc(C)cc2O)nc1 ZINC000273355714 526045424 /nfs/dbraw/zinc/04/54/24/526045424.db2.gz CMJVFESJNQDUDG-LLVKDONJSA-N 0 0 274.389 3.991 20 10 CHCDRN Cc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1O ZINC000272492116 526225427 /nfs/dbraw/zinc/22/54/27/526225427.db2.gz RWOSYCDVQCRRBL-UHFFFAOYSA-N 0 0 296.370 3.553 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@H+](Cc1ccccn1)C1CC1 ZINC000290388981 526326660 /nfs/dbraw/zinc/32/66/60/526326660.db2.gz IPOZUUBYYGIVIW-UHFFFAOYSA-N 0 0 288.778 3.605 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCSC1 ZINC000228553915 526327218 /nfs/dbraw/zinc/32/72/18/526327218.db2.gz SJVIZSAJTMXZLU-MRVPVSSYSA-N 0 0 292.231 3.542 20 10 CHCDRN c1csc(Sc2nc(-c3ccccc3)ns2)n1 ZINC000122143913 526584965 /nfs/dbraw/zinc/58/49/65/526584965.db2.gz CKAZOGPLSDJPOM-UHFFFAOYSA-N 0 0 277.399 3.813 20 10 CHCDRN COc1cc(F)ccc1NCc1cc(Cl)ccc1O ZINC000049563920 1119104651 /nfs/dbraw/zinc/10/46/51/1119104651.db2.gz XTUXGBYWKFUTLN-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN Cc1ccc(NC(=O)NCc2ccccc2O)cc1Cl ZINC000133744687 1125489657 /nfs/dbraw/zinc/48/96/57/1125489657.db2.gz HOYRCQPVFPQDMC-UHFFFAOYSA-N 0 0 290.750 3.676 20 10 CHCDRN Cc1cccc2c1N(C(=O)/C=C/c1cncc(F)c1)CCC2 ZINC000729652060 1125507449 /nfs/dbraw/zinc/50/74/49/1125507449.db2.gz OMGDVUKIKPRYAL-BQYQJAHWSA-N 0 0 296.345 3.522 20 10 CHCDRN C[C@H]1C[C@@H](CF)N(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140922145 1120094539 /nfs/dbraw/zinc/09/45/39/1120094539.db2.gz IBPXZYBCCNWQLA-FZMZJTMJSA-N 0 0 284.806 3.586 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccsc1 ZINC001593198952 994177246 /nfs/dbraw/zinc/17/72/46/994177246.db2.gz WBGQLWMBILQEHT-ZJUUUORDSA-N 0 0 291.372 3.564 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000689884739 1125286359 /nfs/dbraw/zinc/28/63/59/1125286359.db2.gz XKOFMCBAQMZGLU-NSHDSACASA-N 0 0 271.763 3.617 20 10 CHCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1CCC(F)(F)CC1 ZINC000790979671 1131576467 /nfs/dbraw/zinc/57/64/67/1131576467.db2.gz GCDRKCQLPMACOX-UHFFFAOYSA-N 0 0 293.716 3.852 20 10 CHCDRN Cc1cc(O)c(C[N@@H+](C)C2CC(F)(F)C2)cc1Cl ZINC001231869249 1132383919 /nfs/dbraw/zinc/38/39/19/1132383919.db2.gz NOFNBYIVRBGRJQ-UHFFFAOYSA-N 0 0 275.726 3.584 20 10 CHCDRN CC[C@H](N[C@@H](C)c1ccc(Cl)cc1O)C(F)F ZINC000841758949 1132394494 /nfs/dbraw/zinc/39/44/94/1132394494.db2.gz WHJCQVGHPZHLLQ-XVKPBYJWSA-N 0 0 263.715 3.740 20 10 CHCDRN COc1cccc(NCc2cc(C)c(C)cc2O)c1OC ZINC000886275744 1125665982 /nfs/dbraw/zinc/66/59/82/1125665982.db2.gz KQLQXBAEJZXKEI-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN Cc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886489517 1125680462 /nfs/dbraw/zinc/68/04/62/1125680462.db2.gz KPLRVXBFPZDWMT-LBPRGKRZSA-N 0 0 259.324 3.691 20 10 CHCDRN Cc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cc1F ZINC000886495222 1125680021 /nfs/dbraw/zinc/68/00/21/1125680021.db2.gz NQNBLSUKXDTDBO-NSHDSACASA-N 0 0 277.314 3.830 20 10 CHCDRN CO[C@@H](C[NH2+][C@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886508834 1125681094 /nfs/dbraw/zinc/68/10/94/1125681094.db2.gz OEWPTTQFQHSQTN-WBMJQRKESA-N 0 0 289.350 3.570 20 10 CHCDRN Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886526545 1125684557 /nfs/dbraw/zinc/68/45/57/1125684557.db2.gz NQMPQDODLARULH-RKDXNWHRSA-N 0 0 278.327 3.548 20 10 CHCDRN Cc1cccc(F)c1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886532463 1125685486 /nfs/dbraw/zinc/68/54/86/1125685486.db2.gz JNTFBUJDNBBUSA-LLVKDONJSA-N 0 0 277.314 3.830 20 10 CHCDRN Cc1cccc(F)c1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886532464 1125685723 /nfs/dbraw/zinc/68/57/23/1125685723.db2.gz JNTFBUJDNBBUSA-NSHDSACASA-N 0 0 277.314 3.830 20 10 CHCDRN COc1cc(F)cc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886559930 1125690738 /nfs/dbraw/zinc/69/07/38/1125690738.db2.gz JICMVHNIWXYQRD-JTQLQIEISA-N 0 0 293.313 3.530 20 10 CHCDRN C[C@@H](Nc1ccc2c(c1)CCO2)c1c(O)cccc1F ZINC000886573880 1125691889 /nfs/dbraw/zinc/69/18/89/1125691889.db2.gz AAABZVLAXZRKRJ-SNVBAGLBSA-N 0 0 273.307 3.639 20 10 CHCDRN COc1ccc(N[C@@H](C)c2c(O)cccc2F)c(OC)c1 ZINC000886564454 1125691896 /nfs/dbraw/zinc/69/18/96/1125691896.db2.gz XOGQXVVLCPSIDF-JTQLQIEISA-N 0 0 291.322 3.722 20 10 CHCDRN CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886589997 1125693668 /nfs/dbraw/zinc/69/36/68/1125693668.db2.gz LIYHFOYGFAFUTQ-IUCAKERBSA-N 0 0 279.277 3.913 20 10 CHCDRN C[C@H]([NH2+]CC(C)(C)c1ccccn1)c1c([O-])cccc1F ZINC000886615397 1125697878 /nfs/dbraw/zinc/69/78/78/1125697878.db2.gz FNPTYCMMLFQBSK-LBPRGKRZSA-N 0 0 288.366 3.555 20 10 CHCDRN CC(C)[C@H]1C[C@H](C[NH2+][C@@H](C)c2c([O-])cccc2F)CCO1 ZINC000886618946 1125699229 /nfs/dbraw/zinc/69/92/29/1125699229.db2.gz PDOVTXGDVSGKJN-WOSRLPQWSA-N 0 0 295.398 3.633 20 10 CHCDRN C[C@@H]([NH2+]CCC1CC(F)(F)C1)c1c([O-])cccc1F ZINC000886623484 1125699536 /nfs/dbraw/zinc/69/95/36/1125699536.db2.gz FGTXGRKNNYXREM-SECBINFHSA-N 0 0 273.298 3.617 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CCOC2(CCC2)C1)c1c([O-])cccc1F ZINC000886619002 1125699686 /nfs/dbraw/zinc/69/96/86/1125699686.db2.gz QGUFZULEAZETFH-OLZOCXBDSA-N 0 0 293.382 3.531 20 10 CHCDRN C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCCO1)c1c([O-])cccc1F ZINC000886632928 1125701496 /nfs/dbraw/zinc/70/14/96/1125701496.db2.gz JSCBKMUTQRQZAW-UXEPBGEESA-N 0 0 293.382 3.530 20 10 CHCDRN Oc1c(C[NH2+]CC[C@H]2CCCC[C@H]2O)ccc2ccccc21 ZINC000897535934 1125730679 /nfs/dbraw/zinc/73/06/79/1125730679.db2.gz AEKDEPRRURRIOF-CRAIPNDOSA-N 0 0 299.414 3.576 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)/C=C/C1CCCC1 ZINC000843820331 1126711839 /nfs/dbraw/zinc/71/18/39/1126711839.db2.gz RRGIBHTXLWZIRU-VAWYXSNFSA-N 0 0 287.403 3.877 20 10 CHCDRN CC(C)c1cc(NCc2c(O)ccc(Cl)c2F)no1 ZINC000790241329 1130299773 /nfs/dbraw/zinc/29/97/73/1130299773.db2.gz UNKBRPAIWDGLHF-UHFFFAOYSA-N 0 0 284.718 3.908 20 10 CHCDRN CC(=O)c1cc(F)cc(CN(C)[C@H](C)c2ccco2)c1O ZINC000175605887 1126784420 /nfs/dbraw/zinc/78/44/20/1126784420.db2.gz ZAUQRKYIGAYHND-SNVBAGLBSA-N 0 0 291.322 3.520 20 10 CHCDRN CSCC[C@H](C)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000180350029 1126842270 /nfs/dbraw/zinc/84/22/70/1126842270.db2.gz JEJKVEUZVHFMMT-JTQLQIEISA-N 0 0 273.829 3.619 20 10 CHCDRN Nc1ccc(NC(=O)NC2(C3CCCCC3)CC2)cc1 ZINC000904501626 1126854287 /nfs/dbraw/zinc/85/42/87/1126854287.db2.gz VHXKCYMOJIZLMB-UHFFFAOYSA-N 0 0 273.380 3.503 20 10 CHCDRN CC(C)Nc1ccccc1NCCOCC1CCC1 ZINC000905107978 1126891173 /nfs/dbraw/zinc/89/11/73/1126891173.db2.gz IUHWNVBVBNRNGX-UHFFFAOYSA-N 0 0 262.397 3.736 20 10 CHCDRN C[C@H]([NH2+]C[C@]1(C)CCCS1)c1ccc(F)c(F)c1[O-] ZINC000187757948 1126913427 /nfs/dbraw/zinc/91/34/27/1126913427.db2.gz NINMBRJBWOVKEX-XPTSAGLGSA-N 0 0 287.375 3.607 20 10 CHCDRN CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000777441044 1126921740 /nfs/dbraw/zinc/92/17/40/1126921740.db2.gz VLENDLPIWHUSQC-ZIAGYGMSSA-N 0 0 297.826 3.729 20 10 CHCDRN CN(C)c1ccc(C2=CCCOC2)cc1C(F)(F)F ZINC001245160030 1130871085 /nfs/dbraw/zinc/87/10/85/1130871085.db2.gz FCBBIJLKKHUSFB-UHFFFAOYSA-N 0 0 271.282 3.575 20 10 CHCDRN Oc1ccc(Cl)cc1CNc1ccc(Cl)nc1 ZINC000149522592 1126991119 /nfs/dbraw/zinc/99/11/19/1126991119.db2.gz RMROZVDLBXTKCO-UHFFFAOYSA-N 0 0 269.131 3.706 20 10 CHCDRN CC[C@H]([NH2+]CC(C)(C)SC)c1ccc(F)cc1[O-] ZINC000796780381 1130931658 /nfs/dbraw/zinc/93/16/58/1130931658.db2.gz IYRDQQGWAVUYMW-LBPRGKRZSA-N 0 0 271.401 3.714 20 10 CHCDRN Oc1ccc(Cl)c(Cl)c1CN1CCC[C@@H]1CF ZINC001237083828 1131046345 /nfs/dbraw/zinc/04/63/45/1131046345.db2.gz CWSBRANVHZIABK-MRVPVSSYSA-N 0 0 278.154 3.633 20 10 CHCDRN C[N@H+](Cc1c([O-])ccc(Cl)c1Cl)C1CC(F)(F)C1 ZINC001237078422 1131047005 /nfs/dbraw/zinc/04/70/05/1131047005.db2.gz SYSUGFDVUDRGPD-UHFFFAOYSA-N 0 0 296.144 3.929 20 10 CHCDRN C[C@@H](Cc1ccsc1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816537655 1131105027 /nfs/dbraw/zinc/10/50/27/1131105027.db2.gz MILUNROFEIRTNA-VIFPVBQESA-N 0 0 299.798 3.967 20 10 CHCDRN C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237622529 1131118253 /nfs/dbraw/zinc/11/82/53/1131118253.db2.gz UHHZSENEMDHKIE-NXEZZACHSA-N 0 0 271.763 3.663 20 10 CHCDRN CC[C@H]([NH2+]Cc1cccc(OC)c1)c1ccc(F)cc1[O-] ZINC000285532787 1127235804 /nfs/dbraw/zinc/23/58/04/1127235804.db2.gz FOZOLTYJTVIHKK-INIZCTEOSA-N 0 0 289.350 3.781 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ccsc1)c1ccc(F)cc1[O-] ZINC000285557204 1127237554 /nfs/dbraw/zinc/23/75/54/1127237554.db2.gz GZKVLUCEYVKKGS-CYBMUJFWSA-N 0 0 265.353 3.834 20 10 CHCDRN C[C@@H](N[C@@H](C)c1c(F)cncc1F)c1cc(F)ccc1O ZINC000285773600 1127242328 /nfs/dbraw/zinc/24/23/28/1127242328.db2.gz UFBXYZMTMZTAQH-BDAKNGLRSA-N 0 0 296.292 3.616 20 10 CHCDRN CC[C@@H]([NH2+]CC1(CCOC)CCC1)c1ccc(F)cc1[O-] ZINC000286000034 1127252203 /nfs/dbraw/zinc/25/22/03/1127252203.db2.gz IOEUHZIYEUTJFB-OAHLLOKOSA-N 0 0 295.398 3.779 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(F)cc1[O-] ZINC000286153106 1127260957 /nfs/dbraw/zinc/26/09/57/1127260957.db2.gz PMZHGUGCGDVRTH-MPTYRVRUSA-N 0 0 293.382 3.530 20 10 CHCDRN CC[C@H]([NH2+]C[C@H](C)c1nccs1)c1ccc(F)cc1[O-] ZINC000286218296 1127263523 /nfs/dbraw/zinc/26/35/23/1127263523.db2.gz SFJMTPXMACTJIE-GWCFXTLKSA-N 0 0 294.395 3.832 20 10 CHCDRN CC[C@@H]([NH2+]C1CCN(CC)CC1)c1cccc(Cl)c1[O-] ZINC000286973363 1127278241 /nfs/dbraw/zinc/27/82/41/1127278241.db2.gz NXECZOIRXGPBIC-OAHLLOKOSA-N 0 0 296.842 3.571 20 10 CHCDRN CC[C@H]([NH2+]C[C@H]1CCCSC1)c1ccc(F)cc1[O-] ZINC000287065891 1127285949 /nfs/dbraw/zinc/28/59/49/1127285949.db2.gz NVLWJXAUCIYTPN-RISCZKNCSA-N 0 0 283.412 3.715 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H]1CCSC1)c1cccc(Cl)c1[O-] ZINC000287125923 1127290645 /nfs/dbraw/zinc/29/06/45/1127290645.db2.gz RJLMBEVAJQGCHF-GWCFXTLKSA-N 0 0 285.840 3.839 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H]1CCSC1)c1cccc(Cl)c1[O-] ZINC000287125931 1127290867 /nfs/dbraw/zinc/29/08/67/1127290867.db2.gz RJLMBEVAJQGCHF-ZWNOBZJWSA-N 0 0 285.840 3.839 20 10 CHCDRN CC[C@H]([NH2+]CCOC(C)C)c1cccc(Cl)c1[O-] ZINC000287620981 1127311225 /nfs/dbraw/zinc/31/12/25/1127311225.db2.gz JVBXZMBWHQGOKM-ZDUSSCGKSA-N 0 0 271.788 3.511 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cccc(Cl)c1[O-] ZINC000287628748 1127311260 /nfs/dbraw/zinc/31/12/60/1127311260.db2.gz KFQPSDBZAMXZLX-ZANVPECISA-N 0 0 279.771 3.571 20 10 CHCDRN CO[C@H]1Cc2ccc(N[C@H](C)c3ccc(C)cc3O)cc2C1 ZINC000760882083 1127312957 /nfs/dbraw/zinc/31/29/57/1127312957.db2.gz ISJXTJVXZSXTPB-DYVFJYSZSA-N 0 0 297.398 3.987 20 10 CHCDRN CCC[C@](C)(O)C[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000287904107 1127315153 /nfs/dbraw/zinc/31/51/53/1127315153.db2.gz ZTSWCYFAWWRVDR-HIFRSBDPSA-N 0 0 285.815 3.637 20 10 CHCDRN CN(C)c1ccc(CNc2nc3ccccc3o2)cc1F ZINC000058545533 1127357556 /nfs/dbraw/zinc/35/75/56/1127357556.db2.gz BOEFPNRSCYOUOL-UHFFFAOYSA-N 0 0 285.322 3.645 20 10 CHCDRN Cc1cc(NCc2ccc(N(C)C)cc2)cnc1Cl ZINC000225947104 1127360170 /nfs/dbraw/zinc/36/01/70/1127360170.db2.gz JPFIUDPNQSMVHX-UHFFFAOYSA-N 0 0 275.783 3.722 20 10 CHCDRN CCC1(CC)CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000690905997 1127381492 /nfs/dbraw/zinc/38/14/92/1127381492.db2.gz RXNIIAQKCSEWBQ-UHFFFAOYSA-N 0 0 275.396 3.703 20 10 CHCDRN CCC(=O)Nc1ccc(NCc2cccc(C)c2O)cc1 ZINC000158052866 1127415209 /nfs/dbraw/zinc/41/52/09/1127415209.db2.gz WEZKQNYVSWFUCR-UHFFFAOYSA-N 0 0 284.359 3.661 20 10 CHCDRN Cc1cc(C)cc(C[N@@H+](C)Cc2cc(F)c(F)cc2[O-])c1 ZINC001308738701 1127452945 /nfs/dbraw/zinc/45/29/45/1127452945.db2.gz BNMIBQNEUCFFSX-UHFFFAOYSA-N 0 0 291.341 3.919 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCCC(F)(F)F ZINC000293565714 1127505654 /nfs/dbraw/zinc/50/56/54/1127505654.db2.gz ILCNNRFPHNRJKP-UHFFFAOYSA-N 0 0 285.668 3.617 20 10 CHCDRN COc1cc(Cl)cc(C[N@H+](C2CC2)C2CCCC2)c1O ZINC000761190596 1127517388 /nfs/dbraw/zinc/51/73/88/1127517388.db2.gz DSROCSLMCDVZIP-UHFFFAOYSA-N 0 0 295.810 3.961 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccccc1 ZINC000060349010 1127518460 /nfs/dbraw/zinc/51/84/60/1127518460.db2.gz YOHSNWYYOOZIEG-UHFFFAOYSA-N 0 0 284.359 3.836 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(F)c(C)c2)cc1OC ZINC000761220364 1127543989 /nfs/dbraw/zinc/54/39/89/1127543989.db2.gz BCRNHUGAWRAOHQ-UHFFFAOYSA-N 0 0 289.350 3.788 20 10 CHCDRN Cc1cc(C)c([C@@H](C)Nc2cnn(CC(F)F)c2)c(O)c1 ZINC000294900467 1127606834 /nfs/dbraw/zinc/60/68/34/1127606834.db2.gz VWOXDUGHBYQXCA-LLVKDONJSA-N 0 0 295.333 3.644 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](CC)c1cccc(Cl)c1[O-])C(C)(C)O ZINC000294871778 1127605508 /nfs/dbraw/zinc/60/55/08/1127605508.db2.gz CSNSOUVICBPPSR-QWHCGFSZSA-N 0 0 285.815 3.636 20 10 CHCDRN CC(F)(F)CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000295600759 1127647524 /nfs/dbraw/zinc/64/75/24/1127647524.db2.gz CWVJNYUNISBLKX-UHFFFAOYSA-N 0 0 281.705 3.710 20 10 CHCDRN Cc1ncc(/C=C/C(=O)N(C)c2cccc(C)c2C)s1 ZINC000171992926 1127739847 /nfs/dbraw/zinc/73/98/47/1127739847.db2.gz NCJJUOCGIIASEG-CMDGGOBGSA-N 0 0 286.400 3.745 20 10 CHCDRN C[C@H](Cc1cccs1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062746781 1127774252 /nfs/dbraw/zinc/77/42/52/1127774252.db2.gz FLSSAROSITXHSS-MNOVXSKESA-N 0 0 279.380 3.875 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccccc1O ZINC000373446218 1127843430 /nfs/dbraw/zinc/84/34/30/1127843430.db2.gz BXEWNOJMKNOTMD-ROUUACIJSA-N 0 0 296.414 3.620 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccccc1O ZINC000373446220 1127843940 /nfs/dbraw/zinc/84/39/40/1127843940.db2.gz BXEWNOJMKNOTMD-ZWKOTPCHSA-N 0 0 296.414 3.620 20 10 CHCDRN C[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@H]1C ZINC001233074693 1127923477 /nfs/dbraw/zinc/92/34/77/1127923477.db2.gz SSRBBMRRWIYDBX-WDEREUQCSA-N 0 0 269.335 3.538 20 10 CHCDRN CCCCc1nnc(NCc2cc(C)c(C)cc2O)s1 ZINC000777507537 1128095116 /nfs/dbraw/zinc/09/51/16/1128095116.db2.gz AQJIMHHTSZFGCK-UHFFFAOYSA-N 0 0 291.420 3.815 20 10 CHCDRN CCCN(CCC)c1ccc(CNc2nc(C)no2)cc1 ZINC000777505659 1128095835 /nfs/dbraw/zinc/09/58/35/1128095835.db2.gz VBFIUCVSFOVLNS-UHFFFAOYSA-N 0 0 288.395 3.617 20 10 CHCDRN CC(C)c1nnc(NCc2c(O)cccc2Cl)s1 ZINC000777511434 1128098680 /nfs/dbraw/zinc/09/86/80/1128098680.db2.gz LBUPURBTADFXMZ-UHFFFAOYSA-N 0 0 283.784 3.633 20 10 CHCDRN CCc1cc(NCc2ccc(N(CC)CC)cc2)no1 ZINC000777519184 1128098817 /nfs/dbraw/zinc/09/88/17/1128098817.db2.gz BFQHAPNOVOIJKH-UHFFFAOYSA-N 0 0 273.380 3.695 20 10 CHCDRN COc1ccc(N(C)Cc2cc(C)c(C)cc2O)cc1F ZINC000780779717 1128099341 /nfs/dbraw/zinc/09/93/41/1128099341.db2.gz VXAYZYIMAHSQHV-UHFFFAOYSA-N 0 0 289.350 3.793 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(CF)cc2)cc1F ZINC000777600232 1128173423 /nfs/dbraw/zinc/17/34/23/1128173423.db2.gz NWPNDGCMHCZRJB-UHFFFAOYSA-N 0 0 277.314 3.940 20 10 CHCDRN CC[C@H](C[C@@H](C)CC)Oc1cc(O)c(O)cc1C(C)=O ZINC001234473141 1128194323 /nfs/dbraw/zinc/19/43/23/1128194323.db2.gz CKYOZNGUOAXCLP-CMPLNLGQSA-N 0 0 280.364 3.894 20 10 CHCDRN CCC[C@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000914484666 1128194615 /nfs/dbraw/zinc/19/46/15/1128194615.db2.gz LIJHOUFPDYSZEA-AWEZNQCLSA-N 0 0 288.435 3.680 20 10 CHCDRN CCC[C@@H](Oc1cc(O)c(O)cc1C(C)=O)C(C)C ZINC001234474253 1128194932 /nfs/dbraw/zinc/19/49/32/1128194932.db2.gz PULNUIVFEMUOBU-CQSZACIVSA-N 0 0 266.337 3.504 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ncc(C)cc1C)c1ccc(F)cc1[O-] ZINC000926961680 1128207010 /nfs/dbraw/zinc/20/70/10/1128207010.db2.gz WVYYDKSACXPVRQ-OAHLLOKOSA-N 0 0 288.366 3.784 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCS[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000927029481 1128209712 /nfs/dbraw/zinc/20/97/12/1128209712.db2.gz PJVLWADXOLOQOL-JKOKRWQUSA-N 0 0 283.412 3.856 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCCc2cccnc21)c1c([O-])cccc1F ZINC000927062903 1128213277 /nfs/dbraw/zinc/21/32/77/1128213277.db2.gz PXBGRPXHTXZWPU-SMDDNHRTSA-N 0 0 286.350 3.655 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CC(C)(C)OC1(C)C)c1c([O-])cccc1F ZINC000927100883 1128217595 /nfs/dbraw/zinc/21/75/95/1128217595.db2.gz VEYCDXOPPPEORI-VXGBXAGGSA-N 0 0 295.398 3.776 20 10 CHCDRN C[C@@H]1C[C@@H]1c1noc(-c2ccc(-n3cccc3)c(F)c2)n1 ZINC000762249106 1128286433 /nfs/dbraw/zinc/28/64/33/1128286433.db2.gz AZEZUWWDNJZFBB-PWSUYJOCSA-N 0 0 283.306 3.790 20 10 CHCDRN CCCC[C@@H](CC)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000915191636 1128290230 /nfs/dbraw/zinc/29/02/30/1128290230.db2.gz LBQZPIJBVKPEQB-MRXNPFEDSA-N 0 0 290.451 3.927 20 10 CHCDRN CCOc1ccc(N(CC)Cc2ccnc(OC)c2)cc1 ZINC000762925167 1128327420 /nfs/dbraw/zinc/32/74/20/1128327420.db2.gz DAASPPBQLBDGOG-UHFFFAOYSA-N 0 0 286.375 3.515 20 10 CHCDRN COC/C(C)=C/CN(C)c1ccc(-c2nccs2)cc1 ZINC000930710007 1128332189 /nfs/dbraw/zinc/33/21/89/1128332189.db2.gz 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QCRQEODTJBAHPF-HNNXBMFYSA-N 0 0 283.387 3.779 20 10 CHCDRN COc1ccc(N(C)Cc2ccnc(Cl)c2)cc1F ZINC000177065428 1119739902 /nfs/dbraw/zinc/73/99/02/1119739902.db2.gz LLXIYSBQMKCOAX-UHFFFAOYSA-N 0 0 280.730 3.519 20 10 CHCDRN Cc1ccoc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000310730704 1119899707 /nfs/dbraw/zinc/89/97/07/1119899707.db2.gz DPBBKFSMXFRWKB-UHFFFAOYSA-N 0 0 286.158 3.890 20 10 CHCDRN C[C@H]([NH2+]C1CCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000309399728 1119984029 /nfs/dbraw/zinc/98/40/29/1119984029.db2.gz HDZRFYNMTMBKMF-ZETCQYMHSA-N 0 0 260.164 3.902 20 10 CHCDRN CC1(C)CCC[C@@H](CC(=O)NCc2ccccc2O)C1 ZINC000756002661 1119988235 /nfs/dbraw/zinc/98/82/35/1119988235.db2.gz PBGCBWYZWNJINR-ZDUSSCGKSA-N 0 0 275.392 3.615 20 10 CHCDRN COc1ccc(F)cc1N[C@@H](C)c1cc(F)ccc1O ZINC000186355967 1120033634 /nfs/dbraw/zinc/03/36/34/1120033634.db2.gz QQDVTFLRXVSYFH-VIFPVBQESA-N 0 0 279.286 3.852 20 10 CHCDRN COc1ccc(F)cc1N[C@@H](C)c1ccc(F)cc1O ZINC000186355791 1120033820 /nfs/dbraw/zinc/03/38/20/1120033820.db2.gz DCAZXPQPCRKAHB-VIFPVBQESA-N 0 0 279.286 3.852 20 10 CHCDRN Nc1ncccc1Nc1cccc2c1C(=O)c1ccccc1-2 ZINC001212406316 1120069547 /nfs/dbraw/zinc/06/95/47/1120069547.db2.gz ZGDGJPIWBKALFJ-UHFFFAOYSA-N 0 0 287.322 3.619 20 10 CHCDRN COc1ccc(O)c([C@H](C)Nc2cccc(C3CC3)n2)c1 ZINC000293512469 1120109156 /nfs/dbraw/zinc/10/91/56/1120109156.db2.gz AFVWCHXCBCAHJM-NSHDSACASA-N 0 0 284.359 3.846 20 10 CHCDRN C[C@@H]1CCCC[C@H]1Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843159258 1120274231 /nfs/dbraw/zinc/27/42/31/1120274231.db2.gz NUZOGNSLLITSKF-OCCSQVGLSA-N 0 0 285.391 3.611 20 10 CHCDRN C[C@@H]([NH2+]CCc1cc(F)ccc1F)c1ccc(F)cc1[O-] ZINC000185633711 1120380601 /nfs/dbraw/zinc/38/06/01/1120380601.db2.gz SJXQKBCCMAWVJE-SNVBAGLBSA-N 0 0 295.304 3.703 20 10 CHCDRN Cc1cc(C(=O)Nc2cnoc2)c(C)n1-c1cccc(C)c1 ZINC000749642878 1120403565 /nfs/dbraw/zinc/40/35/65/1120403565.db2.gz YZFNVNHCBYISGP-UHFFFAOYSA-N 0 0 295.342 3.643 20 10 CHCDRN FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1cocn1 ZINC000191115641 1120514335 /nfs/dbraw/zinc/51/43/35/1120514335.db2.gz RHJRNWQNKAISAV-UHFFFAOYSA-N 0 0 298.264 3.526 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ccc(OC)cc1)c1ccccc1O ZINC000019909218 1120544674 /nfs/dbraw/zinc/54/46/74/1120544674.db2.gz KLQMSXJLRZKYRJ-MRXNPFEDSA-N 0 0 271.360 3.642 20 10 CHCDRN COCc1ccc(NCc2cc(C)c(C)cc2O)cc1 ZINC000195463005 1120623739 /nfs/dbraw/zinc/62/37/39/1120623739.db2.gz DXYKOBMHSXVXHY-UHFFFAOYSA-N 0 0 271.360 3.768 20 10 CHCDRN c1ccc(COc2ccc(N3CCCC3)cc2)cc1 ZINC000196714765 1120645769 /nfs/dbraw/zinc/64/57/69/1120645769.db2.gz WRNAMPPYIVIFTC-UHFFFAOYSA-N 0 0 253.345 3.866 20 10 CHCDRN Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccoc1 ZINC000766028063 1120670104 /nfs/dbraw/zinc/67/01/04/1120670104.db2.gz CYALQZUQMHIILI-CYBMUJFWSA-N 0 0 258.365 3.505 20 10 CHCDRN COc1ccc(C)cc1N[C@H]1CCc2cccc(O)c21 ZINC000313169000 1120689170 /nfs/dbraw/zinc/68/91/70/1120689170.db2.gz IXYMFGGACTUPBL-ZDUSSCGKSA-N 0 0 269.344 3.809 20 10 CHCDRN C[C@H]([NH2+][C@H]1C[C@H]1Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000756732481 1120772058 /nfs/dbraw/zinc/77/20/58/1120772058.db2.gz ICYZBOKJEUKVLV-QEORTHHSSA-N 0 0 285.362 3.813 20 10 CHCDRN CCn1ccc(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000313970375 1120832911 /nfs/dbraw/zinc/83/29/11/1120832911.db2.gz ILYODUNOJVTUNQ-UHFFFAOYSA-N 0 0 284.407 3.505 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2ccc(F)cn2)cc1 ZINC000759927995 1120842082 /nfs/dbraw/zinc/84/20/82/1120842082.db2.gz LTOZOJXJYPDKPL-UHFFFAOYSA-N 0 0 274.339 3.644 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2ccc(CO)cc2)cc1 ZINC000191599389 1128944802 /nfs/dbraw/zinc/94/48/02/1128944802.db2.gz XAIZHQUJTSQMSF-UHFFFAOYSA-N 0 0 285.387 3.603 20 10 CHCDRN COc1ccc(N[C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000756797305 1120871710 /nfs/dbraw/zinc/87/17/10/1120871710.db2.gz YHYCNCZPWFZPSL-VIFPVBQESA-N 0 0 279.286 3.852 20 10 CHCDRN Cc1ccc(CN(C)c2ccc(OC(C)C)cc2)nc1 ZINC000759934517 1120903526 /nfs/dbraw/zinc/90/35/26/1120903526.db2.gz XFUATLIPFJGNCM-UHFFFAOYSA-N 0 0 270.376 3.814 20 10 CHCDRN COc1ccc(O)c([C@@H](C)Nc2cscc2C)c1 ZINC000273516725 1120936922 /nfs/dbraw/zinc/93/69/22/1120936922.db2.gz SPQFIPLGBWIYRD-SNVBAGLBSA-N 0 0 263.362 3.944 20 10 CHCDRN CCOc1cccc(CN2CCCOc3ccccc32)c1O ZINC000317044961 1120988009 /nfs/dbraw/zinc/98/80/09/1120988009.db2.gz SIFNSERNTCCTLG-UHFFFAOYSA-N 0 0 299.370 3.580 20 10 CHCDRN Cc1ccc(/C=C\C(=O)N2CCSc3ccccc32)cn1 ZINC000779471258 1128954918 /nfs/dbraw/zinc/95/49/18/1128954918.db2.gz CQOORGJAXGSMEJ-HJWRWDBZSA-N 0 0 296.395 3.542 20 10 CHCDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccccc1 ZINC000030830620 1121146429 /nfs/dbraw/zinc/14/64/29/1121146429.db2.gz QNZAQFIFAPBVDV-UHFFFAOYSA-N 0 0 266.344 3.539 20 10 CHCDRN CCOc1ccc(C)cc1Nc1cccc(O)c1O ZINC001175123749 1121192829 /nfs/dbraw/zinc/19/28/29/1121192829.db2.gz TXQFCADCLMYKEH-UHFFFAOYSA-N 0 0 259.305 3.549 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000702548626 1121204618 /nfs/dbraw/zinc/20/46/18/1121204618.db2.gz WBBUMAHDSKEPCQ-MWLCHTKSSA-N 0 0 273.298 3.760 20 10 CHCDRN Nc1ccc(Cc2ccccc2Nc2ccncc2F)cc1 ZINC001175200408 1121206245 /nfs/dbraw/zinc/20/62/45/1121206245.db2.gz CHHBIOSECZQZQR-UHFFFAOYSA-N 0 0 293.345 3.559 20 10 CHCDRN CCOc1ccc(Nc2cccc(O)c2O)cc1C ZINC001175170487 1121214130 /nfs/dbraw/zinc/21/41/30/1121214130.db2.gz AGFTYHQXEQSUPC-UHFFFAOYSA-N 0 0 259.305 3.549 20 10 CHCDRN COc1ccc(N(C)CCCC2CCC2)cc1F ZINC001167881436 1121221878 /nfs/dbraw/zinc/22/18/78/1121221878.db2.gz LKPWEYPUYXHFFZ-UHFFFAOYSA-N 0 0 251.345 3.851 20 10 CHCDRN Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000703260165 1121241051 /nfs/dbraw/zinc/24/10/51/1121241051.db2.gz XMNHYPKFOAOVCZ-NSHDSACASA-N 0 0 277.314 3.830 20 10 CHCDRN CN(c1ccc(N)cc1)c1cccc(C(=O)OC(C)(C)C)c1 ZINC001175545397 1121348857 /nfs/dbraw/zinc/34/88/57/1121348857.db2.gz JEWPYUDGOOBCRU-UHFFFAOYSA-N 0 0 298.386 3.992 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2n[nH]c3ccccc32)cc1 ZINC000763547380 1128981565 /nfs/dbraw/zinc/98/15/65/1128981565.db2.gz VXRMWIYZZRNYBN-UHFFFAOYSA-N 0 0 295.386 3.987 20 10 CHCDRN CCCOc1cccc(N(C)c2ccc(N)cc2)c1 ZINC001175601342 1121382877 /nfs/dbraw/zinc/38/28/77/1121382877.db2.gz FZRHTRFUNBONOV-UHFFFAOYSA-N 0 0 256.349 3.826 20 10 CHCDRN CCN(Cc1cccnc1)Cc1c(O)ccc(F)c1Cl ZINC001237126353 1128983070 /nfs/dbraw/zinc/98/30/70/1128983070.db2.gz JIARYRLAMHXRCU-UHFFFAOYSA-N 0 0 294.757 3.602 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCCC12CC2 ZINC000706297676 1121426964 /nfs/dbraw/zinc/42/69/64/1121426964.db2.gz LICFZOYINZHPQV-LBPRGKRZSA-N 0 0 265.784 3.716 20 10 CHCDRN Oc1cccc(Br)c1C[NH2+]C1(C2CCC2)CC1 ZINC000706863524 1121442526 /nfs/dbraw/zinc/44/25/26/1121442526.db2.gz LJVXGJVVMCBBNK-UHFFFAOYSA-N 0 0 296.208 3.577 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2nccn2C2CC2)cc1 ZINC000894036621 1121457146 /nfs/dbraw/zinc/45/71/46/1121457146.db2.gz KIYBRCBYUTWOQT-UHFFFAOYSA-N 0 0 285.391 3.642 20 10 CHCDRN C[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000708600467 1121468578 /nfs/dbraw/zinc/46/85/78/1121468578.db2.gz KUJYIURAKLBBQX-GFCCVEGCSA-N 0 0 293.716 3.820 20 10 CHCDRN Nc1ccc(Cc2ccccc2Nc2ccc(=O)[nH]c2)cc1 ZINC001176130813 1121561988 /nfs/dbraw/zinc/56/19/88/1121561988.db2.gz JDOUKSRVYBYEFS-UHFFFAOYSA-N 0 0 291.354 3.704 20 10 CHCDRN Cc1noc(C)c1Nc1ccccc1C(=O)c1ccncc1 ZINC001176181828 1121565714 /nfs/dbraw/zinc/56/57/14/1121565714.db2.gz SZRSJAORHSKGTO-UHFFFAOYSA-N 0 0 293.326 3.661 20 10 CHCDRN CC(C)CCC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000725844187 1121605723 /nfs/dbraw/zinc/60/57/23/1121605723.db2.gz OKMYHELDJXBPJL-LBPRGKRZSA-N 0 0 280.368 3.605 20 10 CHCDRN CC[C@@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000729305935 1121773090 /nfs/dbraw/zinc/77/30/90/1121773090.db2.gz RZTUCYVJVLESPB-INIZCTEOSA-N 0 0 290.451 3.783 20 10 CHCDRN Cc1ccc(N(C)C(=O)/C=C/c2cncc(F)c2)cc1C ZINC000729328501 1121776542 /nfs/dbraw/zinc/77/65/42/1121776542.db2.gz VUYIJYJLIMGYJN-FNORWQNLSA-N 0 0 284.334 3.514 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H]1CC1(C)C ZINC001178978230 1121831001 /nfs/dbraw/zinc/83/10/01/1121831001.db2.gz VJOYCEYETPACBJ-DGCLKSJQSA-N 0 0 269.335 3.585 20 10 CHCDRN Cc1nc2ccc(NC(=O)C3=CC(=O)CS3)cc2s1 ZINC000732263326 1121914515 /nfs/dbraw/zinc/91/45/15/1121914515.db2.gz OERJFUDKVMUHAG-UHFFFAOYSA-N 0 0 290.369 3.624 20 10 CHCDRN CC1(C)CN(C(=O)C2=CC(=O)CS2)[C@@H]1c1ccccc1 ZINC000732276565 1121914590 /nfs/dbraw/zinc/91/45/90/1121914590.db2.gz WDGMGIWPRYODFB-CQSZACIVSA-N 0 0 287.384 3.677 20 10 CHCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H]1c1cccc(F)c1 ZINC000732275514 1121914927 /nfs/dbraw/zinc/91/49/27/1121914927.db2.gz ZKTTWTXFJCRNHH-CYBMUJFWSA-N 0 0 291.347 3.570 20 10 CHCDRN CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000732269248 1121915885 /nfs/dbraw/zinc/91/58/85/1121915885.db2.gz PEWYJQGZLGTBHV-VXGBXAGGSA-N 0 0 281.421 3.788 20 10 CHCDRN CCC[C@@H]1CCCC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000732286370 1121916302 /nfs/dbraw/zinc/91/63/02/1121916302.db2.gz SDRCHYRDAVNBEQ-PWSUYJOCSA-N 0 0 267.394 3.542 20 10 CHCDRN C[C@@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])[C@@H]1c1ccccc1 ZINC001180143168 1121952432 /nfs/dbraw/zinc/95/24/32/1121952432.db2.gz UYGMGNRSBXIGTN-BZNIZROVSA-N 0 0 289.325 3.863 20 10 CHCDRN C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])[C@@H]1c1ccccc1 ZINC001180143170 1121952687 /nfs/dbraw/zinc/95/26/87/1121952687.db2.gz UYGMGNRSBXIGTN-ZBEGNZNMSA-N 0 0 289.325 3.863 20 10 CHCDRN Cc1ccnc(N[C@H](C)c2c(C)cc(C)cc2O)c1 ZINC000815601289 1121967706 /nfs/dbraw/zinc/96/77/06/1121967706.db2.gz SAKZPNLZIOOXCZ-CYBMUJFWSA-N 0 0 256.349 3.886 20 10 CHCDRN CC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC001180372358 1121984373 /nfs/dbraw/zinc/98/43/73/1121984373.db2.gz REQUYZSBQWWCQJ-LLVKDONJSA-N 0 0 271.763 3.949 20 10 CHCDRN CC1(C)C[NH+](Cc2cc(F)cc(F)c2[O-])CC(C)(C)C1 ZINC001180602705 1122002508 /nfs/dbraw/zinc/00/25/08/1122002508.db2.gz KKGLHEQWWBZYTE-UHFFFAOYSA-N 0 0 283.362 3.929 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(C)cc2F)cc1F ZINC001180759564 1122011875 /nfs/dbraw/zinc/01/18/75/1122011875.db2.gz SYNZQLQJKORELZ-UHFFFAOYSA-N 0 0 277.314 3.918 20 10 CHCDRN COc1ccc(N(C)Cc2cn(C3CC3)cn2)cc1Cl ZINC001180759153 1122011908 /nfs/dbraw/zinc/01/19/08/1122011908.db2.gz PSXZTKRIWJFREC-UHFFFAOYSA-N 0 0 291.782 3.516 20 10 CHCDRN CCCc1cccc(/C=C2/SC(=S)N(CC)C2=O)c1 ZINC000773905713 1122041008 /nfs/dbraw/zinc/04/10/08/1122041008.db2.gz CEEGVKHSVMACAJ-JLHYYAGUSA-N 0 0 291.441 3.860 20 10 CHCDRN CC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])CC1CCC1 ZINC001181174884 1122041850 /nfs/dbraw/zinc/04/18/50/1122041850.db2.gz HKTSGUYANSLBJX-UHFFFAOYSA-N 0 0 271.763 3.807 20 10 CHCDRN COc1ccc(N(C)C[C@@H](C)c2ccccc2)cc1 ZINC001182733976 1122185596 /nfs/dbraw/zinc/18/55/96/1122185596.db2.gz JMVISEXTVFQOJU-CQSZACIVSA-N 0 0 255.361 3.935 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(N(C)C(C)C)nc2)cc1 ZINC001182734431 1122187375 /nfs/dbraw/zinc/18/73/75/1122187375.db2.gz VFPSAYPAGJWRRW-UHFFFAOYSA-N 0 0 299.418 3.571 20 10 CHCDRN CCOc1cccc(NCc2c(O)cc(C)cc2Cl)n1 ZINC001182890160 1122193592 /nfs/dbraw/zinc/19/35/92/1122193592.db2.gz AVZFAOXYVYIIBM-UHFFFAOYSA-N 0 0 292.766 3.760 20 10 CHCDRN COc1ccc([C@@H](C)[N@H+](C)Cc2cccc(F)c2[O-])cc1 ZINC000272239079 1122195870 /nfs/dbraw/zinc/19/58/70/1122195870.db2.gz GENWMSYOCRPPKR-GFCCVEGCSA-N 0 0 289.350 3.733 20 10 CHCDRN [O-]c1cc(F)c(F)cc1C[N@H+](CCC1CC1)CC1CC1 ZINC001183036377 1122200878 /nfs/dbraw/zinc/20/08/78/1122200878.db2.gz OWYGJERDTGDGBF-UHFFFAOYSA-N 0 0 281.346 3.683 20 10 CHCDRN CC(C)C[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2O)CCO1 ZINC000272895342 1122215085 /nfs/dbraw/zinc/21/50/85/1122215085.db2.gz UCOKMZLEGVZWJF-RRFJBIMHSA-N 0 0 277.408 3.637 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273352987 1122229064 /nfs/dbraw/zinc/22/90/64/1122229064.db2.gz CCDZWRWSEHPSFE-HTQZYQBOSA-N 0 0 292.231 3.855 20 10 CHCDRN COCC[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccco1 ZINC000273407494 1122231477 /nfs/dbraw/zinc/23/14/77/1122231477.db2.gz HJXGRWPGWAKHCE-RISCZKNCSA-N 0 0 293.338 3.553 20 10 CHCDRN CCOc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000273422123 1122232380 /nfs/dbraw/zinc/23/23/80/1122232380.db2.gz SMEZBBDFWIHVLE-GFCCVEGCSA-N 0 0 289.350 3.781 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC001183844707 1122240945 /nfs/dbraw/zinc/24/09/45/1122240945.db2.gz MMHZKKXDWNWJBQ-NHCYSSNCSA-N 0 0 283.774 3.711 20 10 CHCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@@H]1CCc2c1cccc2F ZINC001183874566 1122243348 /nfs/dbraw/zinc/24/33/48/1122243348.db2.gz AUTZHWLLXYRKKW-OAHLLOKOSA-N 0 0 293.288 3.587 20 10 CHCDRN CC(C)c1ccc(NCc2cccc(F)c2O)cn1 ZINC001183940390 1122246452 /nfs/dbraw/zinc/24/64/52/1122246452.db2.gz UQXQOUZVNCGONZ-UHFFFAOYSA-N 0 0 260.312 3.662 20 10 CHCDRN Cc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1C ZINC000031726813 1122314524 /nfs/dbraw/zinc/31/45/24/1122314524.db2.gz HPMHPXOLDDTALF-UHFFFAOYSA-N 0 0 297.402 3.691 20 10 CHCDRN Cc1ccc(F)c(NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001185277286 1122330791 /nfs/dbraw/zinc/33/07/91/1122330791.db2.gz XUCWBYIMXQARHL-NSHDSACASA-N 0 0 288.322 3.722 20 10 CHCDRN C[C@H](NC(=O)N[C@@H](C)C1CCCCC1)c1ccccc1O ZINC001186404694 1122389501 /nfs/dbraw/zinc/38/95/01/1122389501.db2.gz NWANDBBYNWGDOO-STQMWFEESA-N 0 0 290.407 3.721 20 10 CHCDRN Cc1ccc(Cl)cc1NC(=O)Nc1cccc(O)c1O ZINC001188728203 1122475127 /nfs/dbraw/zinc/47/51/27/1122475127.db2.gz BHYDIXJJHXZNEA-UHFFFAOYSA-N 0 0 292.722 3.704 20 10 CHCDRN CCOc1ccc(N(CC)C[C@@H]2C[C@H]3CCC[C@@H]3O2)cc1 ZINC001192013378 1122626806 /nfs/dbraw/zinc/62/68/06/1122626806.db2.gz MUAQPJNYVNCPBS-JLSDUUJJSA-N 0 0 289.419 3.869 20 10 CHCDRN COc1ccc(N(Cc2ccns2)C(C)C)cc1F ZINC001192139657 1122632199 /nfs/dbraw/zinc/63/21/99/1122632199.db2.gz IPIKWYMPEDUHKO-UHFFFAOYSA-N 0 0 280.368 3.706 20 10 CHCDRN COc1ccc2c(c1)CCCCN2CC1=CCCC1 ZINC001192315070 1122638667 /nfs/dbraw/zinc/63/86/67/1122638667.db2.gz NANKQQHGYRXEOH-UHFFFAOYSA-N 0 0 257.377 3.948 20 10 CHCDRN CC[C@H](Nc1cnn(-c2ccccn2)c1)c1ccccc1O ZINC000775540604 1122654131 /nfs/dbraw/zinc/65/41/31/1122654131.db2.gz NZDNQEZXRDRYHP-HNNXBMFYSA-N 0 0 294.358 3.536 20 10 CHCDRN CC[C@H](Nc1cnn(CC)c1)c1cc(Cl)ccc1O ZINC000775540423 1122654685 /nfs/dbraw/zinc/65/46/85/1122654685.db2.gz LEHQPJAALIUKHV-ZDUSSCGKSA-N 0 0 279.771 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CCCc1nc(C)c(COc2ccc(N(C)C)cc2)o1 ZINC000853693845 1123447417 /nfs/dbraw/zinc/44/74/17/1123447417.db2.gz UORBNNZBQRFXAN-UHFFFAOYSA-N 0 0 274.364 3.581 20 10 CHCDRN CO[C@H](C)c1nsc(Sc2ncc(Cl)s2)n1 ZINC000853964213 1123464054 /nfs/dbraw/zinc/46/40/54/1123464054.db2.gz ISMXOZXYUZOGAI-SCSAIBSYSA-N 0 0 293.826 3.507 20 10 CHCDRN Clc1cnc(Sc2nc(C3CC3)ns2)s1 ZINC000853964373 1123464002 /nfs/dbraw/zinc/46/40/02/1123464002.db2.gz LBWBMHCDMCGZMU-UHFFFAOYSA-N 0 0 275.811 3.677 20 10 CHCDRN CC[C@@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1ccccc1O ZINC000854226054 1123478138 /nfs/dbraw/zinc/47/81/38/1123478138.db2.gz MNPGJUPOYZBAPG-IAGOWNOFSA-N 0 0 282.387 3.703 20 10 CHCDRN CCN(C(=O)/C=C/c1cnc(C)s1)c1ccccc1C ZINC000112233073 1123485039 /nfs/dbraw/zinc/48/50/39/1123485039.db2.gz SMKUIILROGSIMD-MDZDMXLPSA-N 0 0 286.400 3.826 20 10 CHCDRN C[C@H]([NH2+]C1CCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273455136 1129125456 /nfs/dbraw/zinc/12/54/56/1129125456.db2.gz GUWHWWHDSNCSIU-ZETCQYMHSA-N 0 0 260.164 3.902 20 10 CHCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCC2(CC2)C1 ZINC000855023028 1123503801 /nfs/dbraw/zinc/50/38/01/1123503801.db2.gz PIIHZJGSZMNZFW-NSHDSACASA-N 0 0 293.794 3.632 20 10 CHCDRN Cc1cc2c(cn1)CN(Cc1cc(Cl)cc(C)c1O)C2 ZINC001237687359 1129128156 /nfs/dbraw/zinc/12/81/56/1129128156.db2.gz YGPHURSPCZFHAN-UHFFFAOYSA-N 0 0 288.778 3.573 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857066239 1123584397 /nfs/dbraw/zinc/58/43/97/1123584397.db2.gz ZOIGXMNPGZLOKC-SECBINFHSA-N 0 0 294.609 3.719 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1cccc(Cl)c1[O-] ZINC000858592721 1123665740 /nfs/dbraw/zinc/66/57/40/1123665740.db2.gz JOVANAYQGRMZOX-UHIISALHSA-N 0 0 283.799 3.511 20 10 CHCDRN CCOC(=O)c1cnc(SCc2ccc(C)o2)s1 ZINC000897045203 1123802927 /nfs/dbraw/zinc/80/29/27/1123802927.db2.gz RLBRASVLHDDERC-UHFFFAOYSA-N 0 0 283.374 3.514 20 10 CHCDRN COc1cccc(NCc2cccc(C)c2O)c1C ZINC000862481397 1123812870 /nfs/dbraw/zinc/81/28/70/1123812870.db2.gz VBGNJMUXBGHZBQ-UHFFFAOYSA-N 0 0 257.333 3.630 20 10 CHCDRN CCCC[C@@H](CC)C(=O)NCc1cc(C)ccc1O ZINC000862760306 1123827429 /nfs/dbraw/zinc/82/74/29/1123827429.db2.gz PKQMMSRUMXWMQQ-CYBMUJFWSA-N 0 0 263.381 3.533 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)C[C@@H](C)c2ccccc2C)c1 ZINC000862759801 1123827810 /nfs/dbraw/zinc/82/78/10/1123827810.db2.gz IVMBLQOYWLVJRE-OAHLLOKOSA-N 0 0 297.398 3.819 20 10 CHCDRN CCC[C@H](C(=O)NCc1cc(C)ccc1O)c1ccccc1 ZINC000862761764 1123828007 /nfs/dbraw/zinc/82/80/07/1123828007.db2.gz WUNLHTYSVOTCFZ-KRWDZBQOSA-N 0 0 297.398 3.901 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2CCC[C@H](C)C2)c1 ZINC000862759263 1123828071 /nfs/dbraw/zinc/82/80/71/1123828071.db2.gz ZPKQWSPGZHCJIN-JSGCOSHPSA-N 0 0 275.392 3.533 20 10 CHCDRN c1csc(S[C@H]2CCO[C@H](c3cccnc3)C2)n1 ZINC000863294749 1123859791 /nfs/dbraw/zinc/85/97/91/1123859791.db2.gz DQHJJUFQQIDEFY-RYUDHWBXSA-N 0 0 278.402 3.551 20 10 CHCDRN CCc1nc(C)c(CN(C)c2ccc(OC(C)C)cc2)o1 ZINC000794533278 1123872370 /nfs/dbraw/zinc/87/23/70/1123872370.db2.gz LTLJKPYFTUYCRB-UHFFFAOYSA-N 0 0 288.391 3.969 20 10 CHCDRN CC(C)Oc1cccc(CN(C)c2ccc(N)cc2)c1 ZINC000863558024 1123875694 /nfs/dbraw/zinc/87/56/94/1123875694.db2.gz ZTDBAUULQAUDMF-UHFFFAOYSA-N 0 0 270.376 3.692 20 10 CHCDRN CCOc1ccc(C(C)=O)cc1CN(C)c1ccc(N)cc1 ZINC000863555328 1123875959 /nfs/dbraw/zinc/87/59/59/1123875959.db2.gz CFPWGMLOEKKXNC-UHFFFAOYSA-N 0 0 298.386 3.507 20 10 CHCDRN CCOc1ccc(N(C)Cc2cc(F)cc(F)c2)cc1 ZINC000864012282 1123909158 /nfs/dbraw/zinc/90/91/58/1123909158.db2.gz BYOJNIJHLDHDRC-UHFFFAOYSA-N 0 0 277.314 4.000 20 10 CHCDRN CC(C)[C@H]1[N@H+](Cc2ccc(F)c(F)c2[O-])CC12CC=CC2 ZINC000864050887 1123914315 /nfs/dbraw/zinc/91/43/15/1123914315.db2.gz UKFQGHOGKPAUOU-MRXNPFEDSA-N 0 0 293.357 3.847 20 10 CHCDRN CCN1C(=O)/C(=C\c2ccc3occc3c2)SC1=S ZINC000794689297 1123932972 /nfs/dbraw/zinc/93/29/72/1123932972.db2.gz TURVHUQGKGLCHW-XYOKQWHBSA-N 0 0 289.381 3.654 20 10 CHCDRN [O-]c1c(Br)cccc1C[NH2+]CCC1=CCCC1 ZINC000120144932 1123937754 /nfs/dbraw/zinc/93/77/54/1123937754.db2.gz GDXBZCGOMRZQOC-UHFFFAOYSA-N 0 0 296.208 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CC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1c(C)noc1C ZINC000877119948 1125012027 /nfs/dbraw/zinc/01/20/27/1125012027.db2.gz MBMBTFSETUGCMN-LBPRGKRZSA-N 0 0 296.317 3.516 20 10 CHCDRN Oc1c(CNc2cnn3c2CCCC3)ccc2ccccc21 ZINC000877692636 1125063875 /nfs/dbraw/zinc/06/38/75/1125063875.db2.gz MPERUQZSVSZSPH-UHFFFAOYSA-N 0 0 293.370 3.690 20 10 CHCDRN Oc1cccc2c1CN(Cc1cnc(C3CCC3)s1)C2 ZINC000877702781 1125065988 /nfs/dbraw/zinc/06/59/88/1125065988.db2.gz HLUPRELVHQRBAS-UHFFFAOYSA-N 0 0 286.400 3.632 20 10 CHCDRN Oc1c(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)ccc2ccccc21 ZINC000877736838 1125071000 /nfs/dbraw/zinc/07/10/00/1125071000.db2.gz DMMCXCNUEVCIHF-HOTGVXAUSA-N 0 0 299.439 3.730 20 10 CHCDRN Cc1cc(O)c(CNc2cccc(CCO)c2)cc1Cl ZINC000826099719 1125202209 /nfs/dbraw/zinc/20/22/09/1125202209.db2.gz GSMLPXQTOBWYFS-UHFFFAOYSA-N 0 0 291.778 3.501 20 10 CHCDRN C/C=C/C=C\C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000880200372 1125255709 /nfs/dbraw/zinc/25/57/09/1125255709.db2.gz WPNCLBSRXDJDPN-JVXHAKPFSA-N 0 0 286.419 3.624 20 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253.773 3.714 20 10 CHCDRN C=COc1ccc(NCc2ccc(C)cc2O)cc1 ZINC001206233296 1133673379 /nfs/dbraw/zinc/67/33/79/1133673379.db2.gz UDZORGLXDCVXCP-UHFFFAOYSA-N 0 0 255.317 3.835 20 10 CHCDRN Cc1ccccc1C1([NH2+]Cc2cc(F)c(F)cc2[O-])CC1 ZINC001206399275 1133698433 /nfs/dbraw/zinc/69/84/33/1133698433.db2.gz APRCHPHEGYKOJO-UHFFFAOYSA-N 0 0 289.325 3.758 20 10 CHCDRN C[C@H]1C[N@H+](Cc2cc(F)cc(F)c2[O-])Cc2ccccc21 ZINC001207447993 1133801787 /nfs/dbraw/zinc/80/17/87/1133801787.db2.gz IAZYUCVIDBVWBS-NSHDSACASA-N 0 0 289.325 3.790 20 10 CHCDRN CC[N@H+](CCCc1ccccc1F)Cc1ccccc1O ZINC001207494286 1133808512 /nfs/dbraw/zinc/80/85/12/1133808512.db2.gz APTHWVWBPAUQKM-UHFFFAOYSA-N 0 0 287.378 3.986 20 10 CHCDRN Oc1cc(F)c(F)cc1CN[C@@H](c1ccccc1)C(F)F ZINC001207873148 1133857827 /nfs/dbraw/zinc/85/78/27/1133857827.db2.gz LWZCPJLDOPWMEX-AWEZNQCLSA-N 0 0 299.267 3.766 20 10 CHCDRN Clc1cc(Nc2ccc3c(c2)OCCN3)cc(Cl)n1 ZINC001209705037 1134051233 /nfs/dbraw/zinc/05/12/33/1134051233.db2.gz MZPIDPQTVUUQHQ-UHFFFAOYSA-N 0 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20 10 CHCDRN CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](C)C(C)C)c1[O-] ZINC000037328777 173129851 /nfs/dbraw/zinc/12/98/51/173129851.db2.gz FRCWCTLFZFMMQM-SNVBAGLBSA-N 0 0 283.799 3.725 20 10 CHCDRN Cc1cscc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000348636127 226503695 /nfs/dbraw/zinc/50/36/95/226503695.db2.gz VPKVZMNOQKUYKQ-UHFFFAOYSA-N 0 0 298.411 3.787 20 10 CHCDRN C(=C/c1ccncn1)\c1ccc(N2CCCCC2)cc1 ZINC000157359466 261145092 /nfs/dbraw/zinc/14/50/92/261145092.db2.gz DQFQGJMNSLNBKV-QPJJXVBHSA-N 0 0 265.360 3.637 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)CCCSC(C)(C)C ZINC000159078602 261178128 /nfs/dbraw/zinc/17/81/28/261178128.db2.gz OJFYJQGZGYNJJV-UHFFFAOYSA-N 0 0 295.448 3.663 20 10 CHCDRN Cc1ccc(N[C@@H](C)c2ccccc2O)cc1C(=O)N(C)C ZINC000183702807 261985252 /nfs/dbraw/zinc/98/52/52/261985252.db2.gz OMZMVJSAYNYNPG-ZDUSSCGKSA-N 0 0 298.386 3.576 20 10 CHCDRN COCC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185290800 262049241 /nfs/dbraw/zinc/04/92/41/262049241.db2.gz JZRSFVSDLXHNHY-DTWKUNHWSA-N 0 0 292.206 3.775 20 10 CHCDRN Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000186157571 262083044 /nfs/dbraw/zinc/08/30/44/262083044.db2.gz YJLOKVHBYATIMS-ZJUUUORDSA-N 0 0 292.354 3.590 20 10 CHCDRN CCn1cc(N[C@@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000186356823 262090220 /nfs/dbraw/zinc/09/02/20/262090220.db2.gz YACWZZDGMOEWQI-LBPRGKRZSA-N 0 0 285.391 3.661 20 10 CHCDRN COc1ccc(O)c([C@H](C)Nc2cc(F)ccc2OC)c1 ZINC000186355836 262090286 /nfs/dbraw/zinc/09/02/86/262090286.db2.gz IKWFIFZHJZBPFH-JTQLQIEISA-N 0 0 291.322 3.722 20 10 CHCDRN COC[C@H]([NH2+][C@H](C)c1ccc2ccccc2c1O)C1CC1 ZINC000186153747 262312424 /nfs/dbraw/zinc/31/24/24/262312424.db2.gz QCDYXXGRXGGINU-PXAZEXFGSA-N 0 0 285.387 3.621 20 10 CHCDRN Cc1ccc(C(=O)N(C)[C@@H](C)c2ccccc2C)c(O)c1O ZINC000272572432 263006780 /nfs/dbraw/zinc/00/67/80/263006780.db2.gz IKRZLOZFOHTFLT-ZDUSSCGKSA-N 0 0 299.370 3.548 20 10 CHCDRN C[C@@H](Nc1cnn(-c2ccccc2F)c1)c1ccccc1O ZINC000183667470 329251527 /nfs/dbraw/zinc/25/15/27/329251527.db2.gz GNFFAVVTPMDWJZ-GFCCVEGCSA-N 0 0 297.333 3.890 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[NH2+]CC2CC=CC2)c1 ZINC000527746959 330280682 /nfs/dbraw/zinc/28/06/82/330280682.db2.gz XMLMDUZOGMDCFR-UHFFFAOYSA-N 0 0 296.208 3.519 20 10 CHCDRN COc1ccc(O)c([C@@H](C)Nc2cccc3c2OCC3)c1 ZINC000527958590 330294983 /nfs/dbraw/zinc/29/49/83/330294983.db2.gz GVFNMUPUJNKXDV-LLVKDONJSA-N 0 0 285.343 3.509 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C)C(C)(C)C ZINC000471218635 331503787 /nfs/dbraw/zinc/50/37/87/331503787.db2.gz DGYIGSWGNAQNFB-CYBMUJFWSA-N 0 0 286.419 3.785 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccc(C)c1 ZINC000471226092 331503984 /nfs/dbraw/zinc/50/39/84/331503984.db2.gz BGRKBNKKRRIGLM-UHFFFAOYSA-N 0 0 292.382 3.725 20 10 CHCDRN CC[C@@]1(C)C[C@@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000471233592 331504436 /nfs/dbraw/zinc/50/44/36/331504436.db2.gz CEWAXNJCKWQBJT-KDOFPFPSSA-N 0 0 284.403 3.539 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCCC1(C)C ZINC000472222987 331532052 /nfs/dbraw/zinc/53/20/52/331532052.db2.gz NAKKDJNAPZKCLS-UHFFFAOYSA-N 0 0 299.418 3.571 20 10 CHCDRN Cc1ncsc1/C=C/C(=O)N(C)c1ccc2cc[nH]c2c1 ZINC000492020640 332379430 /nfs/dbraw/zinc/37/94/30/332379430.db2.gz QVDYBUGLRFWAFJ-AATRIKPKSA-N 0 0 297.383 3.609 20 10 CHCDRN Cc1c2ccccc2n(C)c1CN[C@@H](C)c1cscn1 ZINC000530413102 333546615 /nfs/dbraw/zinc/54/66/15/333546615.db2.gz FXTGJEWJOXCYCL-LBPRGKRZSA-N 0 0 285.416 3.794 20 10 CHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCC1CC1 ZINC000265228876 519655449 /nfs/dbraw/zinc/65/54/49/519655449.db2.gz UQVVBPSXTROKNV-UHFFFAOYSA-N 0 0 288.435 3.680 20 10 CHCDRN CCCCCC(C)(C)C(=O)NCCc1ccc(N)cc1 ZINC000236836901 519942086 /nfs/dbraw/zinc/94/20/86/519942086.db2.gz BUJBECDGKYSNRP-UHFFFAOYSA-N 0 0 276.424 3.534 20 10 CHCDRN CCCCCC(C)(C)C(=O)NCc1cccc(OC)c1O ZINC000084631596 519942865 /nfs/dbraw/zinc/94/28/65/519942865.db2.gz MYYXEEFRZSVEPO-UHFFFAOYSA-N 0 0 293.407 3.624 20 10 CHCDRN CCOc1cc(CSc2nccs2)ccc1[N+](=O)[O-] ZINC000276948757 520733091 /nfs/dbraw/zinc/73/30/91/520733091.db2.gz TXPMEWACTJLMJQ-UHFFFAOYSA-N 0 0 296.373 3.742 20 10 CHCDRN CCOc1cc(NCc2cccc(C)c2O)ccc1OC ZINC000158046193 520760836 /nfs/dbraw/zinc/76/08/36/520760836.db2.gz FRKBEMWMIAWIAV-UHFFFAOYSA-N 0 0 287.359 3.720 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C1CCCCC1 ZINC000299646481 521687413 /nfs/dbraw/zinc/68/74/13/521687413.db2.gz MVECAHWEGVWHFK-UHFFFAOYSA-N 0 0 275.392 3.711 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC[C@@H]1C ZINC000066704002 521688818 /nfs/dbraw/zinc/68/88/18/521688818.db2.gz QSLYTJDEQHRJAL-ZFWWWQNUSA-N 0 0 290.407 3.502 20 10 CHCDRN CC[C@H](CC(=O)NCc1ccccc1O)c1ccccc1 ZINC000264123626 522102608 /nfs/dbraw/zinc/10/26/08/522102608.db2.gz LKHGQHIGVZVFRP-CQSZACIVSA-N 0 0 283.371 3.592 20 10 CHCDRN COc1cc(N[C@H](C)c2ccc(F)cc2O)cc(OC)c1 ZINC000062744805 522765182 /nfs/dbraw/zinc/76/51/82/522765182.db2.gz WYSUPLGNLJETED-SNVBAGLBSA-N 0 0 291.322 3.722 20 10 CHCDRN CC[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000285899785 522830952 /nfs/dbraw/zinc/83/09/52/522830952.db2.gz BHCVFBZYYQBWLO-GDBMZVCRSA-N 0 0 295.398 3.921 20 10 CHCDRN CC[C@@H](Nc1cnn(CC(F)F)c1)c1ccc(C)cc1O ZINC000280066027 522965916 /nfs/dbraw/zinc/96/59/16/522965916.db2.gz KTEPDUVLRVDERC-CYBMUJFWSA-N 0 0 295.333 3.725 20 10 CHCDRN CC[C@H]1CCC[C@H](NC(=O)N(C)Cc2ccccc2O)C1 ZINC000077856172 523137316 /nfs/dbraw/zinc/13/73/16/523137316.db2.gz WXGKYWMOFBDCIT-ZFWWWQNUSA-N 0 0 290.407 3.502 20 10 CHCDRN CC[C@@H]1CCCC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000280075268 523180620 /nfs/dbraw/zinc/18/06/20/523180620.db2.gz XQVANMPWBYVVQM-HIFRSBDPSA-N 0 0 275.392 3.567 20 10 CHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1CC=CC1 ZINC000076955690 523263749 /nfs/dbraw/zinc/26/37/49/523263749.db2.gz HXZCQUKHWGVDOS-UHFFFAOYSA-N 0 0 298.430 3.602 20 10 CHCDRN Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])s1 ZINC000276953931 524591563 /nfs/dbraw/zinc/59/15/63/524591563.db2.gz QYYBHIIJSYCNJP-VIFPVBQESA-N 0 0 283.343 3.891 20 10 CHCDRN CSC1(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CCC1 ZINC000279199541 525338926 /nfs/dbraw/zinc/33/89/26/525338926.db2.gz XFPMLTIWDIJMJA-SECBINFHSA-N 0 0 287.375 3.607 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1ccc(F)cc1[O-] ZINC000273462324 525650873 /nfs/dbraw/zinc/65/08/73/525650873.db2.gz CZPWHMVYGDVTQG-MEBBXXQBSA-N 0 0 287.334 3.575 20 10 CHCDRN Cc1ccc([C@H](C)N(C)C(=O)c2cccc(O)c2O)c(C)c1 ZINC000279540044 525881299 /nfs/dbraw/zinc/88/12/99/525881299.db2.gz LSVCIIGOUYQWKY-ZDUSSCGKSA-N 0 0 299.370 3.548 20 10 CHCDRN C[C@H](CC(=O)NCCc1ccc(N)cc1)C1CCCCC1 ZINC000237638616 526239569 /nfs/dbraw/zinc/23/95/69/526239569.db2.gz WNLBSKPNFKTGTH-CQSZACIVSA-N 0 0 288.435 3.534 20 10 CHCDRN Cc1nn(C)c(C)c1N[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273369956 527650718 /nfs/dbraw/zinc/65/07/18/527650718.db2.gz ANKBAXFZILTHOP-NSHDSACASA-N 0 0 299.418 3.794 20 10 CHCDRN COC(=O)c1cnc(SCc2cc(C)sc2C)s1 ZINC000829678007 1131429296 /nfs/dbraw/zinc/42/92/96/1131429296.db2.gz VTMLZCDAVXUGEH-UHFFFAOYSA-N 0 0 299.442 3.900 20 10 CHCDRN CCC(CC)(C[NH2+][C@H](C)c1cc(Cl)ccc1O)C(=O)[O-] ZINC001595078054 979360139 /nfs/dbraw/zinc/36/01/39/979360139.db2.gz XLVPEULLAGZAOE-SNVBAGLBSA-N 0 0 299.798 3.587 20 10 CHCDRN C[C@H]([NH2+][C@H](CCC(=O)[O-])c1ccccc1)c1ccccc1O ZINC001593204222 994198135 /nfs/dbraw/zinc/19/81/35/994198135.db2.gz OIYONNGFUCSUPL-XJKSGUPXSA-N 0 0 299.370 3.649 20 10 CHCDRN C[C@@H]([NH2+]CCC1=CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593260336 994544433 /nfs/dbraw/zinc/54/44/33/994544433.db2.gz DHJUDECUUHLAJW-GFCCVEGCSA-N 0 0 289.375 3.632 20 10 CHCDRN Cc1ccc(NC(=O)C2=CC(=O)CS2)cc1Cl ZINC000731865424 1121889580 /nfs/dbraw/zinc/88/95/80/1121889580.db2.gz JMYLMKMPGZFGMZ-UHFFFAOYSA-N 0 0 267.737 3.668 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCC2(CCC2)CC1 ZINC001181610054 1122066240 /nfs/dbraw/zinc/06/62/40/1122066240.db2.gz DYBWELGDLVGRPC-UHFFFAOYSA-N 0 0 283.774 3.951 20 10 CHCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCS1 ZINC000896953251 1123792174 /nfs/dbraw/zinc/79/21/74/1123792174.db2.gz WPVAJXQCFYQCHA-WPRPVWTQSA-N 0 0 289.803 3.558 20 10 CHCDRN CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O)C1CC1 ZINC000840859960 1123861425 /nfs/dbraw/zinc/86/14/25/1123861425.db2.gz QRCUEBATYREZPY-UVWXRNBGSA-N 0 0 297.826 3.900 20 10 CHCDRN C[C@@H]([NH2+]CC[C@H]1CCCS1)c1cc(F)cc(F)c1[O-] ZINC000866479949 1124070972 /nfs/dbraw/zinc/07/09/72/1124070972.db2.gz BCVZVCTXHDEXPG-MWLCHTKSSA-N 0 0 287.375 3.607 20 10 CHCDRN C[C@H]([NH2+]CCC1CC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000834909235 1131730350 /nfs/dbraw/zinc/73/03/50/1131730350.db2.gz PRKAUAOPZOWRSA-VIFPVBQESA-N 0 0 273.298 3.617 20 10 CHCDRN C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1ccc(Cl)cc1[O-] ZINC000841758331 1132394546 /nfs/dbraw/zinc/39/45/46/1132394546.db2.gz LDBHMYCGPAPWDQ-YGRLFVJLSA-N 0 0 285.840 3.982 20 10 CHCDRN C[N@H+](Cc1cc(Cl)c(O)cc1O)C1CCCCC1 ZINC001232258563 1132444140 /nfs/dbraw/zinc/44/41/40/1132444140.db2.gz KMSSLVNAAAGOOB-UHFFFAOYSA-N 0 0 269.772 3.516 20 10 CHCDRN C[C@H]1CC[C@@](C)(CNC(=O)C2=CC(=O)CS2)C1(C)C ZINC001165833189 1133253093 /nfs/dbraw/zinc/25/30/93/1133253093.db2.gz NLIDPAYBEWGTPX-BONVTDFDSA-N 0 0 281.421 3.646 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1ccc(Cl)cc1[O-] ZINC000841758080 1125598382 /nfs/dbraw/zinc/59/83/82/1125598382.db2.gz KKOXPUUMSHHISB-NWDGAFQWSA-N 0 0 290.794 3.722 20 10 CHCDRN Cc1cc(C[NH2+][C@H](C)c2c([O-])cccc2F)ccc1F ZINC000886495162 1125680181 /nfs/dbraw/zinc/68/01/81/1125680181.db2.gz KPHJTAJGDQTPEX-LLVKDONJSA-N 0 0 277.314 3.830 20 10 CHCDRN COc1cccc([C@@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886507683 1125681593 /nfs/dbraw/zinc/68/15/93/1125681593.db2.gz VDCIQRXAMHRSAW-VXGBXAGGSA-N 0 0 289.350 3.952 20 10 CHCDRN COCc1cccc(C[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886505082 1125681728 /nfs/dbraw/zinc/68/17/28/1125681728.db2.gz JIGVUESOETUWFX-GFCCVEGCSA-N 0 0 289.350 3.529 20 10 CHCDRN COc1ccc([C@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886519379 1125682416 /nfs/dbraw/zinc/68/24/16/1125682416.db2.gz UHBKCAAUWDXFQB-RYUDHWBXSA-N 0 0 289.350 3.952 20 10 CHCDRN CC(C)OC1CCC([NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886555027 1125690047 /nfs/dbraw/zinc/69/00/47/1125690047.db2.gz JBHSQKWSHHKEIT-IYXRBSQSSA-N 0 0 295.398 3.918 20 10 CHCDRN CCOCCC1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CCC1 ZINC000886551281 1125690103 /nfs/dbraw/zinc/69/01/03/1125690103.db2.gz FTUHDHLTRSYWAY-ZDUSSCGKSA-N 0 0 295.398 3.779 20 10 CHCDRN C[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1c([O-])cccc1F ZINC000886590094 1125694542 /nfs/dbraw/zinc/69/45/42/1125694542.db2.gz NTPONJUCHPPKBD-CHWSQXEVSA-N 0 0 281.371 3.531 20 10 CHCDRN C[C@H](Nc1cnn([C@@H](C)C2CC2)c1)c1c(O)cccc1F ZINC000886594201 1125694935 /nfs/dbraw/zinc/69/49/35/1125694935.db2.gz HRQQSXLDROIQGK-QWRGUYRKSA-N 0 0 289.354 3.872 20 10 CHCDRN COc1ccc(F)cc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886594326 1125695173 /nfs/dbraw/zinc/69/51/73/1125695173.db2.gz JZUGCMWWXDJEKS-JTQLQIEISA-N 0 0 293.313 3.530 20 10 CHCDRN C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1c([O-])cccc1F ZINC000886590095 1125695793 /nfs/dbraw/zinc/69/57/93/1125695793.db2.gz NTPONJUCHPPKBD-OLZOCXBDSA-N 0 0 281.371 3.531 20 10 CHCDRN CC(C)[C@@H]1C[C@@H](C[NH2+][C@@H](C)c2c([O-])cccc2F)CCO1 ZINC000886618947 1125699485 /nfs/dbraw/zinc/69/94/85/1125699485.db2.gz PDOVTXGDVSGKJN-XEZPLFJOSA-N 0 0 295.398 3.633 20 10 CHCDRN C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCCO1)c1c([O-])cccc1F ZINC000886632926 1125700736 /nfs/dbraw/zinc/70/07/36/1125700736.db2.gz JSCBKMUTQRQZAW-CXMBCZLWSA-N 0 0 293.382 3.530 20 10 CHCDRN C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1c([O-])cccc1F ZINC000886638125 1125701313 /nfs/dbraw/zinc/70/13/13/1125701313.db2.gz MMNAIRZLBIBAMI-ZANVPECISA-N 0 0 273.298 3.617 20 10 CHCDRN C[C@@H](Nc1cccc2c1OCC2)c1c(O)cccc1F ZINC000886642098 1125702503 /nfs/dbraw/zinc/70/25/03/1125702503.db2.gz ZWUWYWRHRWTODG-SNVBAGLBSA-N 0 0 273.307 3.639 20 10 CHCDRN C[C@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1cc(F)cc(F)c1[O-] ZINC000886717548 1125712698 /nfs/dbraw/zinc/71/26/98/1125712698.db2.gz BWCYHXRLBKNUDF-CMPLNLGQSA-N 0 0 299.361 3.526 20 10 CHCDRN CCOc1ccc(N(C)Cc2ccccc2F)cc1 ZINC000739924459 1129409884 /nfs/dbraw/zinc/40/98/84/1129409884.db2.gz SYMULWDSEUCEMT-UHFFFAOYSA-N 0 0 259.324 3.861 20 10 CHCDRN CC(C)[C@H]1CC[C@H](C(=O)N(C)Cc2ccccc2O)CC1 ZINC000245520354 1129209317 /nfs/dbraw/zinc/20/93/17/1129209317.db2.gz BSKPXWGXJSUROS-SHTZXODSSA-N 0 0 289.419 3.813 20 10 CHCDRN COc1ccc([C@@H](C)[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000158124342 1126747731 /nfs/dbraw/zinc/74/77/31/1126747731.db2.gz JUQIELWBHOPBOE-LLVKDONJSA-N 0 0 291.778 3.905 20 10 CHCDRN COc1ccc(N(C)Cc2sc(C)nc2C)cc1F ZINC000177069122 1126797400 /nfs/dbraw/zinc/79/74/00/1126797400.db2.gz HHKQMYPKYMJTLP-UHFFFAOYSA-N 0 0 280.368 3.544 20 10 CHCDRN C[C@@]1(CC[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1(F)F ZINC000827252246 1130530094 /nfs/dbraw/zinc/53/00/94/1130530094.db2.gz ZZGOXMNPLYUSIJ-GFCCVEGCSA-N 0 0 293.716 3.710 20 10 CHCDRN Nc1ccc(NC(=O)NC[C@H]2CCC=CCCC2)cc1 ZINC000904500082 1126854534 /nfs/dbraw/zinc/85/45/34/1126854534.db2.gz JNPSQKLEXCNBGJ-ZDUSSCGKSA-N 0 0 273.380 3.527 20 10 CHCDRN Cc1cc(O)c(CNc2nnc(C(C)C)s2)cc1C ZINC000181566251 1126857405 /nfs/dbraw/zinc/85/74/05/1126857405.db2.gz HLQRUCJPKUMFBP-UHFFFAOYSA-N 0 0 277.393 3.596 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccncc1 ZINC000185540983 1126900722 /nfs/dbraw/zinc/90/07/22/1126900722.db2.gz MVJKWRSYELLVFW-XHDPSFHLSA-N 0 0 274.339 3.728 20 10 CHCDRN COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187736156 1126913385 /nfs/dbraw/zinc/91/33/85/1126913385.db2.gz DPGOBQSNAAAINN-UWVGGRQHSA-N 0 0 287.350 3.525 20 10 CHCDRN C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1ccc(F)c(F)c1[O-] ZINC000187757988 1126914000 /nfs/dbraw/zinc/91/40/00/1126914000.db2.gz NINMBRJBWOVKEX-LKFCYVNXSA-N 0 0 287.375 3.607 20 10 CHCDRN CCc1cnc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])s1 ZINC000187738833 1126914016 /nfs/dbraw/zinc/91/40/16/1126914016.db2.gz GEQRZGBCSISNPX-MRVPVSSYSA-N 0 0 298.358 3.540 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1ccc(F)c(F)c1[O-] ZINC000191200308 1126948666 /nfs/dbraw/zinc/94/86/66/1126948666.db2.gz WERQAOUAVYIBCC-NOZJJQNGSA-N 0 0 293.313 3.992 20 10 CHCDRN Cn1ccc2ccc(-c3cncnc3C(C)(C)C)cc21 ZINC001240576249 1126944177 /nfs/dbraw/zinc/94/41/77/1126944177.db2.gz PMBUWKVCGWTZFF-UHFFFAOYSA-N 0 0 265.360 3.933 20 10 CHCDRN COc1cc(N(C)CCCC(C)C)cc(OC)c1OC ZINC000783664369 1130846083 /nfs/dbraw/zinc/84/60/83/1130846083.db2.gz JSJAVBYELMEBRE-UHFFFAOYSA-N 0 0 281.396 3.585 20 10 CHCDRN C[C@@H](NC(=O)C1(C2CC2)CCC1)c1ccc(N(C)C)cc1 ZINC000907492295 1126978892 /nfs/dbraw/zinc/97/88/92/1126978892.db2.gz IKHKTKDSAQJYJF-CYBMUJFWSA-N 0 0 286.419 3.510 20 10 CHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)C1CC1 ZINC000267097538 1126993188 /nfs/dbraw/zinc/99/31/88/1126993188.db2.gz UWMYHYGKSASQEF-CQSZACIVSA-N 0 0 288.435 3.536 20 10 CHCDRN CC[C@H]([NH2+]Cc1ccc(Cl)o1)c1ccccc1O ZINC000698077290 1127038779 /nfs/dbraw/zinc/03/87/79/1127038779.db2.gz YKNRPHUUWVWIIS-LBPRGKRZSA-N 0 0 265.740 3.880 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ccc(Cl)o1)c1ccccc1O ZINC000698077288 1127039016 /nfs/dbraw/zinc/03/90/16/1127039016.db2.gz YKNRPHUUWVWIIS-GFCCVEGCSA-N 0 0 265.740 3.880 20 10 CHCDRN CCCCC[C@H](C(=O)NCc1ccc(O)cc1O)C(C)C ZINC000910951610 1127074928 /nfs/dbraw/zinc/07/49/28/1127074928.db2.gz VBJRAUFSEUJJBU-HNNXBMFYSA-N 0 0 293.407 3.567 20 10 CHCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001237085074 1131046710 /nfs/dbraw/zinc/04/67/10/1131046710.db2.gz UVQHZFMWFQANBH-LAEOZQHASA-N 0 0 290.165 3.631 20 10 CHCDRN CONC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC000913167684 1127123272 /nfs/dbraw/zinc/12/32/72/1127123272.db2.gz JYFMAGLQDKRRAP-UHFFFAOYSA-N 0 0 286.375 3.509 20 10 CHCDRN C[C@H]1SCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])[C@H]1C ZINC000816513289 1131103735 /nfs/dbraw/zinc/10/37/35/1131103735.db2.gz LWOJDFFQOFQBKA-DTWKUNHWSA-N 0 0 289.803 3.511 20 10 CHCDRN C[C@@H]1CC[C@@H](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000164684033 1127181087 /nfs/dbraw/zinc/18/10/87/1127181087.db2.gz ULSDICPLQIUXMB-GDBMZVCRSA-N 0 0 288.435 3.537 20 10 CHCDRN Oc1ccc(C(F)(F)F)cc1Nc1ccncc1Cl ZINC001212157387 1127221701 /nfs/dbraw/zinc/22/17/01/1127221701.db2.gz JDLIMNYAWIKBBD-UHFFFAOYSA-N 0 0 288.656 3.625 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1cccnc1)c1ccc(F)cc1[O-] ZINC000285519483 1127235154 /nfs/dbraw/zinc/23/51/54/1127235154.db2.gz DXEHUFSRQBXGIT-NHYWBVRUSA-N 0 0 274.339 3.728 20 10 CHCDRN CC(C)[C@@H]1CCC[N@@H+]1Cc1cc(F)c(Cl)cc1[O-] ZINC001237940452 1131153469 /nfs/dbraw/zinc/15/34/69/1131153469.db2.gz LDUYEIIIHQTVEU-ZDUSSCGKSA-N 0 0 271.763 3.805 20 10 CHCDRN CC[C@H]([NH2+]Cc1ccsc1)c1ccc(F)cc1[O-] ZINC000285557206 1127237610 /nfs/dbraw/zinc/23/76/10/1127237610.db2.gz GZKVLUCEYVKKGS-ZDUSSCGKSA-N 0 0 265.353 3.834 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC=CC[C@H]1C ZINC000285789073 1127243424 /nfs/dbraw/zinc/24/34/24/1127243424.db2.gz VDYOROFCJRQOAV-GDBMZVCRSA-N 0 0 287.403 3.733 20 10 CHCDRN CC[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000286166535 1127262075 /nfs/dbraw/zinc/26/20/75/1127262075.db2.gz PQEXDFHJZTXYSB-TZMCWYRMSA-N 0 0 281.371 3.530 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1C=CCC1 ZINC000698297813 1127277255 /nfs/dbraw/zinc/27/72/55/1127277255.db2.gz CCUXFFCRCLIMER-SNVBAGLBSA-N 0 0 258.148 3.507 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(F)cc1[O-] ZINC000287065887 1127285689 /nfs/dbraw/zinc/28/56/89/1127285689.db2.gz NVLWJXAUCIYTPN-FZMZJTMJSA-N 0 0 283.412 3.715 20 10 CHCDRN COc1ccc(N(CCC(C)C)C[C@@H]2CCO[C@H]2C)cc1 ZINC001307740831 1127294206 /nfs/dbraw/zinc/29/42/06/1127294206.db2.gz VDDVSJIRRSNZPU-HOTGVXAUSA-N 0 0 291.435 3.973 20 10 CHCDRN CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cccc(Cl)c1[O-] ZINC000287306126 1127300331 /nfs/dbraw/zinc/30/03/31/1127300331.db2.gz CSNFLNWAGXNLSB-FZMZJTMJSA-N 0 0 299.842 3.883 20 10 CHCDRN Cc1ccc([C@H](C)N[C@@H](C)C(F)(F)F)c(O)c1C ZINC000287363138 1127302296 /nfs/dbraw/zinc/30/22/96/1127302296.db2.gz OEUQULSACYJQIY-UWVGGRQHSA-N 0 0 261.287 3.610 20 10 CHCDRN CC[C@@H](Nc1cc(CCOC)ccn1)c1ccccc1O ZINC000287391524 1127303559 /nfs/dbraw/zinc/30/35/59/1127303559.db2.gz IRPUUNYGKNTRLO-OAHLLOKOSA-N 0 0 286.375 3.539 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc(Cl)c1[O-] ZINC000287529735 1127309246 /nfs/dbraw/zinc/30/92/46/1127309246.db2.gz DOZHRCPJWNZXOX-HUBLWGQQSA-N 0 0 297.826 3.637 20 10 CHCDRN CC[C@@H]([NH2+]CCCCOC)c1cccc(Cl)c1[O-] ZINC000287570645 1127310097 /nfs/dbraw/zinc/31/00/97/1127310097.db2.gz GTCNSSONJHIQAT-CYBMUJFWSA-N 0 0 271.788 3.513 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1cccc(Cl)c1[O-] ZINC000287603178 1127310667 /nfs/dbraw/zinc/31/06/67/1127310667.db2.gz IRWJZCYFLLPKDF-MJVIPROJSA-N 0 0 283.799 3.654 20 10 CHCDRN CCOC1CC(CC[NH2+][C@@H](CC)c2ccc(F)cc2[O-])C1 ZINC000287652005 1127312224 /nfs/dbraw/zinc/31/22/24/1127312224.db2.gz UZTGQEHBDLWUCN-PXCJXSSVSA-N 0 0 295.398 3.777 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cccc(Cl)c1[O-] ZINC000287697969 1127312854 /nfs/dbraw/zinc/31/28/54/1127312854.db2.gz NNJJVFPDCWVNRD-SMDDNHRTSA-N 0 0 283.799 3.655 20 10 CHCDRN CC[C@H]([NH2+]CC(O)(CC)CC)c1cccc(Cl)c1[O-] ZINC000287733366 1127313042 /nfs/dbraw/zinc/31/30/42/1127313042.db2.gz PGDJMJIUUWEITB-ZDUSSCGKSA-N 0 0 285.815 3.637 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H](C)SC)c1cccc(Cl)c1[O-] ZINC000287801099 1127313592 /nfs/dbraw/zinc/31/35/92/1127313592.db2.gz UDEUXALYSINOLC-JOYOIKCWSA-N 0 0 273.829 3.838 20 10 CHCDRN Cc1cc(C(=O)N2CCCC2)c(C)n1-c1ccccc1C ZINC000046467110 1127408071 /nfs/dbraw/zinc/40/80/71/1127408071.db2.gz NXNIFXDLZLBPHV-UHFFFAOYSA-N 0 0 282.387 3.639 20 10 CHCDRN Oc1ccc(F)cc1CNc1cccc(OC(F)F)c1 ZINC000226580649 1127411551 /nfs/dbraw/zinc/41/15/51/1127411551.db2.gz XVKUETGBDXSDPP-UHFFFAOYSA-N 0 0 283.249 3.745 20 10 CHCDRN Cc1cccc(OCC[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000158068981 1127416145 /nfs/dbraw/zinc/41/61/45/1127416145.db2.gz YCPLPHJCZQYEJP-UHFFFAOYSA-N 0 0 291.778 3.523 20 10 CHCDRN CC(=O)Nc1ccc(C)c(NCc2cccc(C)c2O)c1 ZINC000158038054 1127416276 /nfs/dbraw/zinc/41/62/76/1127416276.db2.gz XHTWOPQOEYSHBT-UHFFFAOYSA-N 0 0 284.359 3.580 20 10 CHCDRN Cc1ccc(CN2c3ccccc3C[C@@H]2C)c(O)c1 ZINC001308655539 1127419231 /nfs/dbraw/zinc/41/92/31/1127419231.db2.gz HFFAZDYDDBDCDW-ZDUSSCGKSA-N 0 0 253.345 3.652 20 10 CHCDRN Cc1c2ccccc2n(C)c1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000359000550 1127443482 /nfs/dbraw/zinc/44/34/82/1127443482.db2.gz IBNWANZCKLEIMC-CYBMUJFWSA-N 0 0 297.377 3.872 20 10 CHCDRN COc1ccc(O)c(CNc2ccc([C@@H]3CCOC3)cc2)c1 ZINC000293693630 1127512820 /nfs/dbraw/zinc/51/28/20/1127512820.db2.gz QUWUYYCCVOIEGW-CQSZACIVSA-N 0 0 299.370 3.517 20 10 CHCDRN Cn1ccc(CN2CCCc3cc(OC(F)F)ccc32)c1 ZINC000761222316 1127548683 /nfs/dbraw/zinc/54/86/83/1127548683.db2.gz PEYQNOKHHCLFQL-UHFFFAOYSA-N 0 0 292.329 3.579 20 10 CHCDRN C[C@@H]1CC[C@@H](CSc2ncc(-c3ccccc3)n2C)O1 ZINC000189991897 1127686678 /nfs/dbraw/zinc/68/66/78/1127686678.db2.gz CLDGUSCUYGOXHO-OCCSQVGLSA-N 0 0 288.416 3.747 20 10 CHCDRN Oc1cccc2c1[C@@H](Nc1cc(C3CC3)ccn1)CC2 ZINC000297370767 1127694800 /nfs/dbraw/zinc/69/48/00/1127694800.db2.gz QLSCLOVDRKOBEL-AWEZNQCLSA-N 0 0 266.344 3.764 20 10 CHCDRN C[N@H+](Cc1cccc(F)c1[O-])C12CC3CC(CC(C3)C1)C2 ZINC001138127456 1127765658 /nfs/dbraw/zinc/76/56/58/1127765658.db2.gz CJMMWDZETFLTQM-UHFFFAOYSA-N 0 0 289.394 3.932 20 10 CHCDRN C[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000230662385 1127771664 /nfs/dbraw/zinc/77/16/64/1127771664.db2.gz YUECEISMJUNZPU-MNOVXSKESA-N 0 0 298.224 3.681 20 10 CHCDRN CCC(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N(C)C ZINC000062745410 1127773217 /nfs/dbraw/zinc/77/32/17/1127773217.db2.gz LKEZYHLUGSIEKX-BLLLJJGKSA-N 0 0 296.430 3.548 20 10 CHCDRN C[C@@H]([NH2+]CCSc1ccccc1)c1ccc(F)cc1[O-] ZINC000062747775 1127773855 /nfs/dbraw/zinc/77/38/55/1127773855.db2.gz GSAVWOAHONCTBX-GFCCVEGCSA-N 0 0 291.391 3.974 20 10 CHCDRN CSc1ccccc1C(=O)N1CCS[C@H](C(C)C)C1 ZINC000174259291 1127885789 /nfs/dbraw/zinc/88/57/89/1127885789.db2.gz KXIKQARKYGSASR-AWEZNQCLSA-N 0 0 295.473 3.622 20 10 CHCDRN O=[N+]([O-])c1ccccc1/C=C/CN1CCOc2ccccc21 ZINC000462799661 1127955995 /nfs/dbraw/zinc/95/59/95/1127955995.db2.gz VWHOODMXBZVLCB-FNORWQNLSA-N 0 0 296.326 3.507 20 10 CHCDRN CCCC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000134902737 1128076532 /nfs/dbraw/zinc/07/65/32/1128076532.db2.gz IWXOIZWYEWEEGI-MRVPVSSYSA-N 0 0 290.176 3.745 20 10 CHCDRN C[C@@H](NC(=O)[C@@H]1CCC=CCCC1)c1ccccc1O ZINC000913763488 1128080517 /nfs/dbraw/zinc/08/05/17/1128080517.db2.gz ICLGBEKWXGADCF-ZIAGYGMSSA-N 0 0 273.376 3.706 20 10 CHCDRN Cc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)c(C)c1 ZINC000031729149 1128157798 /nfs/dbraw/zinc/15/77/98/1128157798.db2.gz PWKIVJZZQIRZLX-UHFFFAOYSA-N 0 0 297.402 3.691 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SC[C@H]1CCCOC1 ZINC000761611271 1128165903 /nfs/dbraw/zinc/16/59/03/1128165903.db2.gz QLMUJXQEHDHTIB-ZDUSSCGKSA-N 0 0 288.416 3.606 20 10 CHCDRN CN(Cc1ccc(CF)cc1)c1ccc2c(c1)OCO2 ZINC000777714083 1128253461 /nfs/dbraw/zinc/25/34/61/1128253461.db2.gz ZXJPBBFTYXBKHN-UHFFFAOYSA-N 0 0 273.307 3.521 20 10 CHCDRN CCC(CC)[C@@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000761974280 1128257563 /nfs/dbraw/zinc/25/75/63/1128257563.db2.gz VWLZJDQESVUNBY-NEPJUHHUSA-N 0 0 293.407 3.650 20 10 CHCDRN C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)c1cc(F)cc(F)c1[O-] ZINC000927120957 1128219937 /nfs/dbraw/zinc/21/99/37/1128219937.db2.gz XQEBXWKECVFCBM-FCHSOHFDSA-N 0 0 267.319 3.511 20 10 CHCDRN C[C@@H]1C[C@@H]1c1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000762256223 1128287476 /nfs/dbraw/zinc/28/74/76/1128287476.db2.gz UBLACLOERUABAX-RISCZKNCSA-N 0 0 265.316 3.651 20 10 CHCDRN CCOc1ccc2[nH]c(Sc3nccs3)nc2c1 ZINC000915212495 1128291140 /nfs/dbraw/zinc/29/11/40/1128291140.db2.gz XJZHQPRVAKPARA-UHFFFAOYSA-N 0 0 277.374 3.569 20 10 CHCDRN CCC/C(C)=C/C(=O)N(CCC)Cc1ccccc1O ZINC000762804768 1128318616 /nfs/dbraw/zinc/31/86/16/1128318616.db2.gz YNFRHKJLVULICI-WYMLVPIESA-N 0 0 275.392 3.877 20 10 CHCDRN CCC1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CCCC1 ZINC000153939349 1128416623 /nfs/dbraw/zinc/41/66/23/1128416623.db2.gz DFICODHUEBPAMG-GFCCVEGCSA-N 0 0 291.391 3.548 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)CCC(C)(F)F)cc1 ZINC000916502137 1128422201 /nfs/dbraw/zinc/42/22/01/1128422201.db2.gz ABCZCXIZBKJXOX-UHFFFAOYSA-N 0 0 298.377 3.584 20 10 CHCDRN CCCCC1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000934940116 1128474371 /nfs/dbraw/zinc/47/43/71/1128474371.db2.gz IKHROVRKEZEGFM-LBPRGKRZSA-N 0 0 291.391 3.548 20 10 CHCDRN O=C(NCc1ccccc1O)c1ccccc1C1CCC1 ZINC000934935528 1128474631 /nfs/dbraw/zinc/47/46/31/1128474631.db2.gz JJQYNDXCVJJVDP-UHFFFAOYSA-N 0 0 281.355 3.590 20 10 CHCDRN CON(C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000917171579 1128489940 /nfs/dbraw/zinc/48/99/40/1128489940.db2.gz OAEATDGSNOAFMJ-UHFFFAOYSA-N 0 0 298.346 3.534 20 10 CHCDRN Cc1cc(F)c2c(c1)CCCN2C(=O)/C=C\c1cccnc1 ZINC000917692967 1128516646 /nfs/dbraw/zinc/51/66/46/1128516646.db2.gz SQEOHCGILHWUQJ-SREVYHEPSA-N 0 0 296.345 3.522 20 10 CHCDRN CSCC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000917955244 1128526121 /nfs/dbraw/zinc/52/61/21/1128526121.db2.gz ZBDUJPQKDXUDSS-UHFFFAOYSA-N 0 0 273.401 3.948 20 10 CHCDRN Cc1ncccc1NCc1cc(Cl)c2cccnc2c1O ZINC001168523713 1128543902 /nfs/dbraw/zinc/54/39/02/1128543902.db2.gz RSXKCFJHHKUDFQ-UHFFFAOYSA-N 0 0 299.761 3.909 20 10 CHCDRN CC(C)(C)[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001202779139 1128560827 /nfs/dbraw/zinc/56/08/27/1128560827.db2.gz RSGYIFIUFQMXNI-GXTWGEPZSA-N 0 0 283.362 3.975 20 10 CHCDRN CCC(=O)[C@H](C)OC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000918953520 1128583639 /nfs/dbraw/zinc/58/36/39/1128583639.db2.gz BIYIMYXQMWGXNA-AWEZNQCLSA-N 0 0 299.370 3.619 20 10 CHCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@H](C)C(C)(C)C)c1[O-] ZINC000042774014 1128585335 /nfs/dbraw/zinc/58/53/35/1128585335.db2.gz MXCNCHCRAOWKEP-LLVKDONJSA-N 0 0 281.371 3.600 20 10 CHCDRN CSCCOC(=O)c1sccc1-n1c(C)ccc1C ZINC000919566527 1128615779 /nfs/dbraw/zinc/61/57/79/1128615779.db2.gz RFTTVXWNZOEACF-UHFFFAOYSA-N 0 0 295.429 3.675 20 10 CHCDRN CSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000044323473 1128627626 /nfs/dbraw/zinc/62/76/26/1128627626.db2.gz LIQHLOGHHQEVQT-UHFFFAOYSA-N 0 0 270.357 3.913 20 10 CHCDRN Cc1cc(C(=O)NC(C)C)c(C)n1-c1ccccc1C ZINC000046346372 1128663140 /nfs/dbraw/zinc/66/31/40/1128663140.db2.gz IMJPTPPEQJDEOT-UHFFFAOYSA-N 0 0 270.376 3.541 20 10 CHCDRN CN(C)c1ccc(C[N@H+](Cc2cccs2)C2CC2)cc1 ZINC000920258336 1128674955 /nfs/dbraw/zinc/67/49/55/1128674955.db2.gz MRVXVEWTWKPCSH-UHFFFAOYSA-N 0 0 286.444 3.979 20 10 CHCDRN Oc1ccc(F)cc1CN1CCc2c(Cl)cccc2C1 ZINC000779011763 1128676766 /nfs/dbraw/zinc/67/67/66/1128676766.db2.gz COYSSAVJQGXXAC-UHFFFAOYSA-N 0 0 291.753 3.743 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SC[C@@H]1CCCCO1 ZINC000048397761 1128705689 /nfs/dbraw/zinc/70/56/89/1128705689.db2.gz AQJZMPPOVDPDPC-AWEZNQCLSA-N 0 0 288.416 3.748 20 10 CHCDRN CCC(C)(C)NC(=O)[C@@H](Sc1nccs1)C(C)C ZINC000064661896 1128732373 /nfs/dbraw/zinc/73/23/73/1128732373.db2.gz UISVCIVGFNQOPP-JTQLQIEISA-N 0 0 286.466 3.565 20 10 CHCDRN Cc1nc(Cl)ccc1NCc1cccc(F)c1O ZINC000083493483 1117782126 /nfs/dbraw/zinc/78/21/26/1117782126.db2.gz WKMVSUVDYSJHJK-UHFFFAOYSA-N 0 0 266.703 3.500 20 10 CHCDRN 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BRTWPCORCSMEHC-UHFFFAOYSA-N 0 0 290.407 3.504 20 10 CHCDRN Oc1ccc2ccccc2c1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000728562893 1119345017 /nfs/dbraw/zinc/34/50/17/1119345017.db2.gz QFYUQDRMBVNGKW-QGZVFWFLSA-N 0 0 267.372 3.920 20 10 CHCDRN Oc1c(F)cc(F)cc1CNc1ccc2c(c1)CCC2 ZINC000708420886 1119450604 /nfs/dbraw/zinc/45/06/04/1119450604.db2.gz NPOWONFRPMAERI-UHFFFAOYSA-N 0 0 275.298 3.771 20 10 CHCDRN CC1(C)CC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000310330935 1119741682 /nfs/dbraw/zinc/74/16/82/1119741682.db2.gz AFARJHKZIROYJA-NSHDSACASA-N 0 0 274.191 3.977 20 10 CHCDRN CCOc1ccc(N(C)Cc2cccc(NC(C)=O)c2)cc1 ZINC000150728553 1119760555 /nfs/dbraw/zinc/76/05/55/1119760555.db2.gz KKHUKXBCPRFUEB-UHFFFAOYSA-N 0 0 298.386 3.680 20 10 CHCDRN CCC[C@H](C)CC(=O)N(CCC)Cc1ccccc1O ZINC000066097001 1119826312 /nfs/dbraw/zinc/82/63/12/1119826312.db2.gz SMSXCJSBELGUJX-AWEZNQCLSA-N 0 0 277.408 3.957 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1C=CCC1)c1ccc(Br)cc1O ZINC000850508949 1119961741 /nfs/dbraw/zinc/96/17/41/1119961741.db2.gz MJNPINLKRADJSD-MWLCHTKSSA-N 0 0 282.181 3.524 20 10 CHCDRN Cc1snnc1-c1nc(-c2cccc(Cl)c2C)no1 ZINC001212405590 1120068557 /nfs/dbraw/zinc/06/85/57/1120068557.db2.gz XLQGQBFVXLLESI-UHFFFAOYSA-N 0 0 292.751 3.525 20 10 CHCDRN C[C@@H]1CCC[C@H](NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000190971107 1128894391 /nfs/dbraw/zinc/89/43/91/1128894391.db2.gz HHNORWWFVLRLFY-HIFRSBDPSA-N 0 0 290.407 3.502 20 10 CHCDRN COCc1nccc(Sc2ncc(C(C)(C)C)s2)n1 ZINC000892915742 1120161288 /nfs/dbraw/zinc/16/12/88/1120161288.db2.gz DSRCRPLQNGLTFT-UHFFFAOYSA-N 0 0 295.433 3.528 20 10 CHCDRN COc1cccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756355049 1120246760 /nfs/dbraw/zinc/24/67/60/1120246760.db2.gz GIGPMQYDGODALJ-SNVBAGLBSA-N 0 0 293.313 3.530 20 10 CHCDRN CCCCS[C@@H](C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843159223 1120274967 /nfs/dbraw/zinc/27/49/67/1120274967.db2.gz NAHICTPLGUBGJI-NSHDSACASA-N 0 0 291.420 3.837 20 10 CHCDRN CC[C@H](Nc1cnn(CC2CC2)c1)c1ccc(N(C)C)cc1 ZINC000183426226 1120340878 /nfs/dbraw/zinc/34/08/78/1120340878.db2.gz ZGIFCTPCNAXVMZ-SFHVURJKSA-N 0 0 298.434 3.922 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1cc(F)ccc1O ZINC000186018072 1120390303 /nfs/dbraw/zinc/39/03/03/1120390303.db2.gz IQELHKGMOMHQTA-DXCKQFNASA-N 0 0 285.362 3.986 20 10 CHCDRN CCOC(=O)c1cnc(SCc2ccccc2)s1 ZINC000310892077 1120493202 /nfs/dbraw/zinc/49/32/02/1120493202.db2.gz YSLQDQFKENKKFO-UHFFFAOYSA-N 0 0 279.386 3.612 20 10 CHCDRN COc1cccc(CNc2cccc3ccn(C)c32)c1O ZINC000190905270 1120510010 /nfs/dbraw/zinc/51/00/10/1120510010.db2.gz AOGARIUDHDVSNG-UHFFFAOYSA-N 0 0 282.343 3.505 20 10 CHCDRN COc1cccc(N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000019964115 1120554191 /nfs/dbraw/zinc/55/41/91/1120554191.db2.gz FITHOEZKBGBBGY-LLVKDONJSA-N 0 0 273.332 3.583 20 10 CHCDRN Cc1cc(O)c(CNc2cnn(C3CCCC3)c2)cc1C ZINC000922625591 1120566932 /nfs/dbraw/zinc/56/69/32/1120566932.db2.gz VAMBZJGENDFCQM-UHFFFAOYSA-N 0 0 285.391 3.933 20 10 CHCDRN C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1ccc(F)cc1[O-] ZINC000857082337 1120628702 /nfs/dbraw/zinc/62/87/02/1120628702.db2.gz MUBCFYKZHMIDPT-BDAKNGLRSA-N 0 0 292.181 3.766 20 10 CHCDRN Brc1cncc(CSc2nccs2)c1 ZINC000132755134 1120671051 /nfs/dbraw/zinc/67/10/51/1120671051.db2.gz REXNLZZKSQGFQP-UHFFFAOYSA-N 0 0 287.207 3.593 20 10 CHCDRN Cc1ncc(CN(C)c2ccc(OC(C)C)cc2)s1 ZINC000191579641 1128943963 /nfs/dbraw/zinc/94/39/63/1128943963.db2.gz DEFGOBKBMAHFAB-UHFFFAOYSA-N 0 0 276.405 3.875 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2ccn(C(C)C)n2)cc1 ZINC000191600470 1128944441 /nfs/dbraw/zinc/94/44/41/1128944441.db2.gz RMNFGHVONQPLMU-UHFFFAOYSA-N 0 0 287.407 3.888 20 10 CHCDRN COc1ccnc(CN(C)c2ccc(OC(C)C)cc2)c1 ZINC000759934965 1120910415 /nfs/dbraw/zinc/91/04/15/1120910415.db2.gz ZBJYLFVZHLHSMU-UHFFFAOYSA-N 0 0 286.375 3.514 20 10 CHCDRN C[C@@H](Nc1ccc2c(c1)CCO2)c1cc(F)cc(F)c1O ZINC000756833465 1120924633 /nfs/dbraw/zinc/92/46/33/1120924633.db2.gz ZUQUZMLTFWPSIC-SECBINFHSA-N 0 0 291.297 3.778 20 10 CHCDRN COc1cc(N[C@H]2CCc3cccc(O)c32)cc(OC)c1 ZINC000314637341 1120968264 /nfs/dbraw/zinc/96/82/64/1120968264.db2.gz XYCYBERZOSCXGC-HNNXBMFYSA-N 0 0 285.343 3.509 20 10 CHCDRN Cc1cc(CN[C@@H](C)c2ncc[nH]2)c(C)n1-c1ccccc1 ZINC000317427160 1121010380 /nfs/dbraw/zinc/01/03/80/1121010380.db2.gz JVLHYMFDAGPCAB-AWEZNQCLSA-N 0 0 294.402 3.668 20 10 CHCDRN Cc1cc(O)c(CNc2ccc(F)c(C#N)c2)cc1C ZINC000191842435 1128957365 /nfs/dbraw/zinc/95/73/65/1128957365.db2.gz MCRBNNBGDYIHNT-UHFFFAOYSA-N 0 0 270.307 3.632 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H](C)SC ZINC000282500096 1121032847 /nfs/dbraw/zinc/03/28/47/1121032847.db2.gz NKDQCIBHMFAVQB-CYBMUJFWSA-N 0 0 295.448 3.663 20 10 CHCDRN Cc1ccc(CCC(=O)Nc2ccc(N)cc2)cc1Cl ZINC000701133764 1121133951 /nfs/dbraw/zinc/13/39/51/1121133951.db2.gz PFADJUITXYKEQT-UHFFFAOYSA-N 0 0 288.778 3.802 20 10 CHCDRN O=C(c1ccncc1)c1ccccc1Nc1ccc(O)cc1 ZINC001175048479 1121159523 /nfs/dbraw/zinc/15/95/23/1121159523.db2.gz ZNLVLQAQOHZILH-UHFFFAOYSA-N 0 0 290.322 3.762 20 10 CHCDRN Oc1cccc(Cl)c1CNc1cccc2c1CCO2 ZINC000701938576 1121174037 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1128974111 /nfs/dbraw/zinc/97/41/11/1128974111.db2.gz YHDYNGUOQZRTSD-UHFFFAOYSA-N 0 0 296.414 3.587 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2ccc(F)nc2)cc1 ZINC000763547351 1128981075 /nfs/dbraw/zinc/98/10/75/1128981075.db2.gz VLBAFYZBYKRSSL-UHFFFAOYSA-N 0 0 274.339 3.644 20 10 CHCDRN CCCn1cc(CN(C)c2ccc(OC(C)C)cc2)cn1 ZINC000763542959 1128982938 /nfs/dbraw/zinc/98/29/38/1128982938.db2.gz ZPERQXCOGZWVCR-UHFFFAOYSA-N 0 0 287.407 3.717 20 10 CHCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001137838539 1121417189 /nfs/dbraw/zinc/41/71/89/1121417189.db2.gz CLHWRBXNUYQWMZ-ZDUSSCGKSA-N 0 0 289.325 3.660 20 10 CHCDRN CC1([NH2+]Cc2c(O)cccc2Br)CCCC1 ZINC000706858358 1121442101 /nfs/dbraw/zinc/44/21/01/1121442101.db2.gz UPXIUEUNCQNCFK-UHFFFAOYSA-N 0 0 284.197 3.577 20 10 CHCDRN CC1(C)C[C@@H](O)c2cccc(NCc3ccccc3O)c2O1 ZINC000922919792 1121487222 /nfs/dbraw/zinc/48/72/22/1121487222.db2.gz KAMYEDVAIXYKHO-MRXNPFEDSA-N 0 0 299.370 3.599 20 10 CHCDRN CCOC(=O)CCCCCN(C)c1ccc(OCC)cc1 ZINC001175946770 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283.799 3.878 20 10 CHCDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])[C@H]1CCc2ccccc21 ZINC001180531294 1121994814 /nfs/dbraw/zinc/99/48/14/1121994814.db2.gz FPULXODYWFDPIZ-HNNXBMFYSA-N 0 0 289.325 3.790 20 10 CHCDRN C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])CC1(C)C ZINC001180672164 1122005182 /nfs/dbraw/zinc/00/51/82/1122005182.db2.gz GKYYTSLABQOROL-JTQLQIEISA-N 0 0 269.335 3.538 20 10 CHCDRN Cc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(N)cc2)s1 ZINC001120263182 1122005339 /nfs/dbraw/zinc/00/53/39/1122005339.db2.gz LMCVIQYCFDRSCH-NSHDSACASA-N 0 0 275.421 3.535 20 10 CHCDRN CCOc1ccc(CN2CCCc3cc(OC)ccc32)o1 ZINC001180716415 1122007768 /nfs/dbraw/zinc/00/77/68/1122007768.db2.gz QWPDQSOSUAHSBF-UHFFFAOYSA-N 0 0 287.359 3.640 20 10 CHCDRN COc1ccc(N(C)C[C@](C)(OC)C2CC2)cc1Cl ZINC001180757885 1122012346 /nfs/dbraw/zinc/01/23/46/1122012346.db2.gz CBYGQIONPMFXML-HNNXBMFYSA-N 0 0 283.799 3.600 20 10 CHCDRN Cc1ccc(CNc2cccc3cc[nH]c32)c(O)c1 ZINC001181125712 1122036808 /nfs/dbraw/zinc/03/68/08/1122036808.db2.gz 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COc1ccc(N(C)CC2Cc3ccccc3C2)cc1F ZINC001205360303 1122401113 /nfs/dbraw/zinc/40/11/13/1122401113.db2.gz SAZBPIOYJJRHBX-UHFFFAOYSA-N 0 0 285.362 3.686 20 10 CHCDRN CC(C)Oc1ccc(N(C)C[C@H]2CCC=CO2)cc1 ZINC000775117831 1122428109 /nfs/dbraw/zinc/42/81/09/1122428109.db2.gz HLQJVVYVHSOZFS-MRXNPFEDSA-N 0 0 261.365 3.603 20 10 CHCDRN COC(=O)/C=C(/C)CSc1ncc(C(C)(C)C)s1 ZINC001188940153 1122481965 /nfs/dbraw/zinc/48/19/65/1122481965.db2.gz IDRWUAFAKJRMFN-TWGQIWQCSA-N 0 0 285.434 3.652 20 10 CHCDRN CC[C@H]([NH2+][C@H](CO)[C@H](C)c1ccccc1)c1ccccc1O ZINC000775525600 1122645999 /nfs/dbraw/zinc/64/59/99/1122645999.db2.gz XNBOUEDVOWTRPY-FHLIZLRMSA-N 0 0 299.414 3.598 20 10 CHCDRN CC[C@@H]([NH2+][C@@H]1CCCOCC1)c1cc(Cl)ccc1O ZINC000775532257 1122648510 /nfs/dbraw/zinc/64/85/10/1122648510.db2.gz UINPTUBHUZJOMI-TZMCWYRMSA-N 0 0 283.799 3.655 20 10 CHCDRN COCc1ccc(N[C@@H](C)c2ccccc2O)cc1 ZINC000193420567 1129076545 /nfs/dbraw/zinc/07/65/45/1129076545.db2.gz GNRYTPPLIRCJFJ-LBPRGKRZSA-N 0 0 257.333 3.712 20 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259.752 3.661 20 10 CHCDRN C[C@H](NC(=O)Nc1ccsc1)c1ccc(N(C)C)cc1 ZINC000775670334 1122883868 /nfs/dbraw/zinc/88/38/68/1122883868.db2.gz MFFBVQXPIAEHHU-NSHDSACASA-N 0 0 289.404 3.697 20 10 CHCDRN C[C@H]1SCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1C ZINC000775700989 1122911702 /nfs/dbraw/zinc/91/17/02/1122911702.db2.gz ABOJDZYLGHFVLE-DTWKUNHWSA-N 0 0 289.803 3.511 20 10 CHCDRN Cc1ccccc1N(C)Cc1ccc(N(C)C)cc1 ZINC001196357159 1122918313 /nfs/dbraw/zinc/91/83/13/1122918313.db2.gz JNEWTAZXHCFNEG-UHFFFAOYSA-N 0 0 254.377 3.697 20 10 CHCDRN C[N@H+](CCc1cccs1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775724234 1122925228 /nfs/dbraw/zinc/92/52/28/1122925228.db2.gz KRLBZURGBDFMSP-UHFFFAOYSA-N 0 0 299.798 3.921 20 10 CHCDRN COc1c(F)cc(F)cc1NCc1cccc(Cl)c1O ZINC000775756212 1122943131 /nfs/dbraw/zinc/94/31/31/1122943131.db2.gz AUWCFWGQDDEFBE-UHFFFAOYSA-N 0 0 299.704 3.945 20 10 CHCDRN CCC1(C)CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000160232355 1122947420 /nfs/dbraw/zinc/94/74/20/1122947420.db2.gz HIGZESORWUVLCQ-UHFFFAOYSA-N 0 0 251.345 3.543 20 10 CHCDRN O=C(Nc1cccc(Cl)c1)N1Cc2cccc(O)c2C1 ZINC001197877479 1122971426 /nfs/dbraw/zinc/97/14/26/1122971426.db2.gz VHAOSKVUSGXHQW-UHFFFAOYSA-N 0 0 288.734 3.593 20 10 CHCDRN C[C@@H](NC/C(Cl)=C/Cl)c1ccc(N(C)C)cc1 ZINC000775830481 1122984620 /nfs/dbraw/zinc/98/46/20/1122984620.db2.gz KAONJBUKQIHSOM-BKLZJWBFSA-N 0 0 273.207 3.722 20 10 CHCDRN CC[C@H](CC(=O)N[C@H](C)c1cc(OC)ccc1O)C(C)C ZINC000104900798 1123023588 /nfs/dbraw/zinc/02/35/88/1123023588.db2.gz FMEAFESKFWFMRG-CHWSQXEVSA-N 0 0 293.407 3.650 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]2C(C)C)cc1 ZINC000775976124 1123031419 /nfs/dbraw/zinc/03/14/19/1123031419.db2.gz DHXCCNZNWRGOOA-GOSISDBHSA-N 0 0 296.414 3.965 20 10 CHCDRN Cc1occc1C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000776039195 1123050079 /nfs/dbraw/zinc/05/00/79/1123050079.db2.gz SEWNNZUACFILKJ-UHFFFAOYSA-N 0 0 265.740 3.545 20 10 CHCDRN Nc1ccc(N(c2ccccc2)c2ccc(N)nc2)cc1 ZINC001201292533 1123084544 /nfs/dbraw/zinc/08/45/44/1123084544.db2.gz 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1123639371 /nfs/dbraw/zinc/63/93/71/1123639371.db2.gz QLLFKASZHRDQFX-UHFFFAOYSA-N 0 0 271.360 3.938 20 10 CHCDRN CCOc1cccc(CNc2cccc(OC)c2C)c1O ZINC000858240206 1123639471 /nfs/dbraw/zinc/63/94/71/1123639471.db2.gz DQRLLDBEYCVBDH-UHFFFAOYSA-N 0 0 287.359 3.720 20 10 CHCDRN COc1cccc([C@H](C)Nc2cccc3c2OCC3)c1O ZINC000858478683 1123656734 /nfs/dbraw/zinc/65/67/34/1123656734.db2.gz ADSFIEXIHUWDNT-NSHDSACASA-N 0 0 285.343 3.509 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccns1 ZINC000858575531 1123663514 /nfs/dbraw/zinc/66/35/14/1123663514.db2.gz AETKFYDQVOSCMV-JGVFFNPUSA-N 0 0 284.331 3.539 20 10 CHCDRN CO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000858584469 1123665918 /nfs/dbraw/zinc/66/59/18/1123665918.db2.gz RCKPMNIQDNMTAU-IWSPIJDZSA-N 0 0 290.190 3.527 20 10 CHCDRN CC[C@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1cccc(Cl)c1[O-] ZINC000858592722 1123666463 /nfs/dbraw/zinc/66/64/63/1123666463.db2.gz JOVANAYQGRMZOX-WDMOLILDSA-N 0 0 283.799 3.511 20 10 CHCDRN 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CHCDRN CCCN(Cc1ccccc1O)c1nc(C(C)C)ns1 ZINC000301971569 1123947311 /nfs/dbraw/zinc/94/73/11/1123947311.db2.gz GHVLQSCLUQIXTC-UHFFFAOYSA-N 0 0 291.420 3.784 20 10 CHCDRN C[C@@H]1CCC[C@H](C(=O)NCCCSc2nccs2)C1 ZINC000120360500 1123955425 /nfs/dbraw/zinc/95/54/25/1123955425.db2.gz AMBMACZUFUVYAG-NEPJUHHUSA-N 0 0 298.477 3.568 20 10 CHCDRN CCCn1cc(N[C@H](CC)c2ccc(C)cc2O)cn1 ZINC000794816156 1123958958 /nfs/dbraw/zinc/95/89/58/1123958958.db2.gz XHLUTTNYUAVBKU-OAHLLOKOSA-N 0 0 273.380 3.870 20 10 CHCDRN Cc1cncc(NCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000302203972 1123960762 /nfs/dbraw/zinc/96/07/62/1123960762.db2.gz CEDSZHDBOLCAAL-UHFFFAOYSA-N 0 0 296.418 3.633 20 10 CHCDRN Cc1cccc(NCc2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000302470444 1123969524 /nfs/dbraw/zinc/96/95/24/1123969524.db2.gz CRPGJEIFXBQDEP-UHFFFAOYSA-N 0 0 285.347 3.581 20 10 CHCDRN CCOc1ccc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c(O)c1 ZINC000783593504 1124003500 /nfs/dbraw/zinc/00/35/00/1124003500.db2.gz VBBDMHKRGCMZIH-XKQJLSEDSA-N 0 0 289.419 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/nfs/dbraw/zinc/02/35/45/1125023545.db2.gz WOZVXLDJQRXSBK-UHFFFAOYSA-N 0 0 299.370 3.683 20 10 CHCDRN C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877476038 1125030407 /nfs/dbraw/zinc/03/04/07/1125030407.db2.gz RTGYJAUDHDLXSZ-MRVPVSSYSA-N 0 0 297.267 3.881 20 10 CHCDRN CC[C@@H](C)n1ncc(NCc2ccc(C)cc2O)c1C ZINC000877473318 1125031592 /nfs/dbraw/zinc/03/15/92/1125031592.db2.gz GMKQFWMOURNOHF-GFCCVEGCSA-N 0 0 273.380 3.789 20 10 CHCDRN CC[C@@H](NCc1csc(C)n1)c1ccc(N(C)C)cc1 ZINC000126585989 1125044913 /nfs/dbraw/zinc/04/49/13/1125044913.db2.gz MWPYSIQPIARJJB-MRXNPFEDSA-N 0 0 289.448 3.758 20 10 CHCDRN Cc1ncc([C@H](C)[NH2+]Cc2cccc(Cl)c2[O-])s1 ZINC000877685220 1125062540 /nfs/dbraw/zinc/06/25/40/1125062540.db2.gz QAFOQCAUJNTZHD-QMMMGPOBSA-N 0 0 282.796 3.661 20 10 CHCDRN Oc1c(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)ccc2ccccc21 ZINC000877736840 1125070522 /nfs/dbraw/zinc/07/05/22/1125070522.db2.gz DMMCXCNUEVCIHF-JKSUJKDBSA-N 0 0 299.439 3.730 20 10 CHCDRN COc1ccc(N(Cc2nocc2C)C(C)C)cc1F ZINC000878232256 1125134099 /nfs/dbraw/zinc/13/40/99/1125134099.db2.gz VMUQDYLRYXSVEH-UHFFFAOYSA-N 0 0 278.327 3.546 20 10 CHCDRN Cc1ccccc1-c1nc(CSc2nccs2)no1 ZINC000127425156 1125187992 /nfs/dbraw/zinc/18/79/92/1125187992.db2.gz CSEOOQBJIPDTRM-UHFFFAOYSA-N 0 0 289.385 3.794 20 10 CHCDRN Cc1cc(CC(=O)NC2CCCC2)c(C)n1-c1ccccc1 ZINC001124378641 1131346011 /nfs/dbraw/zinc/34/60/11/1131346011.db2.gz QUGIXTYFMXPQHT-UHFFFAOYSA-N 0 0 296.414 3.695 20 10 CHCDRN C[N@@H+](Cc1cccc(Br)c1[O-])CC1CCCC1 ZINC000211438268 1125305953 /nfs/dbraw/zinc/30/59/53/1125305953.db2.gz DYBOOSYJDQZDNE-UHFFFAOYSA-N 0 0 298.224 3.777 20 10 CHCDRN C[C@H]1CCCCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000211522675 1125309127 /nfs/dbraw/zinc/30/91/27/1125309127.db2.gz UZNANUFAHAQZLK-NSHDSACASA-N 0 0 298.224 3.919 20 10 CHCDRN CCC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccn1 ZINC000882979039 1125365482 /nfs/dbraw/zinc/36/54/82/1125365482.db2.gz LMFBBQPBCXUKIJ-AWEZNQCLSA-N 0 0 292.329 3.696 20 10 CHCDRN Cc1ccc([C@@H](C)NC2(c3ncccn3)CCC2)c(O)c1C ZINC000883312274 1125393466 /nfs/dbraw/zinc/39/34/66/1125393466.db2.gz YRHXWELURJTBJU-CQSZACIVSA-N 0 0 297.402 3.529 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])[C@@H]1CCCOC1 ZINC000883353263 1125400222 /nfs/dbraw/zinc/40/02/22/1125400222.db2.gz RITPTOCDEFLHSU-HFAKWTLXSA-N 0 0 299.361 3.526 20 10 CHCDRN CC[C@@H]([NH2+]C1CCC2(COC2)CC1)c1ccc(F)cc1[O-] ZINC000883383410 1125407812 /nfs/dbraw/zinc/40/78/12/1125407812.db2.gz YBMLUUACBNDHRH-OAHLLOKOSA-N 0 0 293.382 3.531 20 10 CHCDRN CN(Cc1cc(C(F)(F)F)co1)c1ccc2c(c1)OCO2 ZINC001168215984 1125415312 /nfs/dbraw/zinc/41/53/12/1125415312.db2.gz YJUXCFOUQMLJAS-UHFFFAOYSA-N 0 0 299.248 3.664 20 10 CHCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001237934134 1129219510 /nfs/dbraw/zinc/21/95/10/1129219510.db2.gz HSRQAJZWSPUGHD-MNOVXSKESA-N 0 0 283.774 3.807 20 10 CHCDRN Cc1cc(N(C)C)ccc1N[C@H]1CCc2cccc(O)c21 ZINC000297012210 1129224535 /nfs/dbraw/zinc/22/45/35/1129224535.db2.gz UCALGSQBFHKNCH-INIZCTEOSA-N 0 0 282.387 3.866 20 10 CHCDRN C[C@@H]([NH2+]CCCC(C)(F)F)c1ccc(F)cc1[O-] ZINC000297236154 1129224912 /nfs/dbraw/zinc/22/49/12/1129224912.db2.gz ICRIKVXFSZUPQI-SECBINFHSA-N 0 0 261.287 3.617 20 10 CHCDRN c1csc(SC[C@@H]2OCCc3ccccc32)n1 ZINC000734308278 1129300910 /nfs/dbraw/zinc/30/09/10/1129300910.db2.gz XESDVEDIVZVNDU-LBPRGKRZSA-N 0 0 263.387 3.549 20 10 CHCDRN CCOc1ccc(N(CC)CCCCCOC)cc1 ZINC000735078252 1129330570 /nfs/dbraw/zinc/33/05/70/1129330570.db2.gz GDGOIXYSHVSTCR-UHFFFAOYSA-N 0 0 265.397 3.728 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1c(C)noc1C)c1ccc(F)cc1[O-] ZINC000796764993 1129330698 /nfs/dbraw/zinc/33/06/98/1129330698.db2.gz WWPNKIIYGXUHEI-XPTSAGLGSA-N 0 0 292.354 3.938 20 10 CHCDRN COCCCCN(CC(C)C)c1ccc(OC)cc1 ZINC000735490080 1129348063 /nfs/dbraw/zinc/34/80/63/1129348063.db2.gz CLVQJPQAHHSZRC-UHFFFAOYSA-N 0 0 265.397 3.584 20 10 CHCDRN CCOc1ccc(N(C)Cc2cn3c(cccc3C)n2)cc1 ZINC000739924710 1129409544 /nfs/dbraw/zinc/40/95/44/1129409544.db2.gz VEHKEPVSZDVEHY-UHFFFAOYSA-N 0 0 295.386 3.678 20 10 CHCDRN CC(C)CC1(CNC(=O)Cc2ccc(N)cc2)CCCC1 ZINC000094873212 1129454713 /nfs/dbraw/zinc/45/47/13/1129454713.db2.gz LVMSGGRYHFHBCT-UHFFFAOYSA-N 0 0 288.435 3.534 20 10 CHCDRN CCCCCC[C@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000741890545 1129457940 /nfs/dbraw/zinc/45/79/40/1129457940.db2.gz WUBXZKVLIQVGCV-HNNXBMFYSA-N 0 0 290.451 3.975 20 10 CHCDRN CC(C)c1cccc(NC(=S)NCc2cccn2C)c1 ZINC000743061880 1129513378 /nfs/dbraw/zinc/51/33/78/1129513378.db2.gz PCTICOSKTOJQPG-UHFFFAOYSA-N 0 0 287.432 3.635 20 10 CHCDRN COc1ccc(N(CC(C)C)CC2CCC(=O)CC2)cc1 ZINC000828206062 1131379107 /nfs/dbraw/zinc/37/91/07/1131379107.db2.gz OUCSAKHSGAKBCD-UHFFFAOYSA-N 0 0 289.419 3.917 20 10 CHCDRN C[N@H+](Cc1cccc(Cl)c1[O-])C1(C)CCCC1 ZINC000720386861 1129527271 /nfs/dbraw/zinc/52/72/71/1129527271.db2.gz YSHNMZGHSYUXRQ-UHFFFAOYSA-N 0 0 253.773 3.810 20 10 CHCDRN O=C(N[C@H](CC1CC1)c1ccccc1)C1=CC(=O)CS1 ZINC000743708471 1129534423 /nfs/dbraw/zinc/53/44/23/1129534423.db2.gz FTRJFDRECUZEBJ-CQSZACIVSA-N 0 0 287.384 3.725 20 10 CHCDRN CCC[C@@H](CC)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000744098219 1129552768 /nfs/dbraw/zinc/55/27/68/1129552768.db2.gz AHNZNONSSBLEIU-OAHLLOKOSA-N 0 0 299.418 3.798 20 10 CHCDRN CCCCC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000096970938 1129579997 /nfs/dbraw/zinc/57/99/97/1129579997.db2.gz BROSFEQACDGUDD-MRXNPFEDSA-N 0 0 277.408 3.563 20 10 CHCDRN CCCCC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000096970937 1129580457 /nfs/dbraw/zinc/58/04/57/1129580457.db2.gz BROSFEQACDGUDD-INIZCTEOSA-N 0 0 277.408 3.563 20 10 CHCDRN COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)c1O ZINC000252841181 1129598982 /nfs/dbraw/zinc/59/89/82/1129598982.db2.gz DBHQOHCKZFQTJF-WDEREUQCSA-N 0 0 283.799 3.675 20 10 CHCDRN Fc1cc(C2=CCCCC2)ccc1N1CCOCC1 ZINC001241717234 1129607654 /nfs/dbraw/zinc/60/76/54/1129607654.db2.gz PSGREXQXAPLWJC-UHFFFAOYSA-N 0 0 261.340 3.620 20 10 CHCDRN Cn1ccc2c1cccc2-c1cccnc1OC(F)F ZINC001241824142 1129622354 /nfs/dbraw/zinc/62/23/54/1129622354.db2.gz LOUKXEVWIYAMLI-UHFFFAOYSA-N 0 0 274.270 3.842 20 10 CHCDRN CCOc1ccc(N(CC)Cc2nnsc2Cl)cc1 ZINC000746158844 1129627761 /nfs/dbraw/zinc/62/77/61/1129627761.db2.gz JKZHTLVRGKTCCJ-UHFFFAOYSA-N 0 0 297.811 3.617 20 10 CHCDRN C[C@H](NCc1ccon1)c1ccc(N2CCCCCC2)cc1 ZINC000766418692 1129664548 /nfs/dbraw/zinc/66/45/48/1129664548.db2.gz JIXVFFPVGBKTQG-HNNXBMFYSA-N 0 0 299.418 3.906 20 10 CHCDRN CNc1ccccc1NC[C@@H](C)c1ccc(O)cc1 ZINC001169542638 1129734947 /nfs/dbraw/zinc/73/49/47/1129734947.db2.gz AWQKWGAFQPTPLM-GFCCVEGCSA-N 0 0 256.349 3.650 20 10 CHCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000796490070 1129754696 /nfs/dbraw/zinc/75/46/96/1129754696.db2.gz NQBVGKDMMBIHHI-UHFFFAOYSA-N 0 0 297.679 3.617 20 10 CHCDRN COc1ccc(N(CCC(C)C)Cc2nccc(C)n2)cc1 ZINC000796502758 1129764065 /nfs/dbraw/zinc/76/40/65/1129764065.db2.gz DJCHNHACYBMSRG-UHFFFAOYSA-N 0 0 299.418 3.846 20 10 CHCDRN Cc1ccc(O)c(CNc2ccc(F)c([C@H](C)O)c2)c1 ZINC000796523829 1129770980 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CC[N@H+](Cc1c(F)ccc(F)c1[O-])C1CCCCC1 ZINC001139679738 1131628144 /nfs/dbraw/zinc/62/81/44/1131628144.db2.gz VKKXITAYEFSCFA-UHFFFAOYSA-N 0 0 269.335 3.825 20 10 CHCDRN COc1ccc(N(C)Cc2ncc(CSC)s2)cc1 ZINC000845998256 1131676895 /nfs/dbraw/zinc/67/68/95/1131676895.db2.gz KELAOAVZBRANPZ-UHFFFAOYSA-N 0 0 294.445 3.651 20 10 CHCDRN Cc1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)cs1 ZINC000834554488 1131683610 /nfs/dbraw/zinc/68/36/10/1131683610.db2.gz BOBMUQNKAZYPBA-GFCCVEGCSA-N 0 0 273.401 3.842 20 10 CHCDRN COc1ccc(N(C)c2ccc(N)cc2)cc1OC(C)C ZINC001203019835 1131687128 /nfs/dbraw/zinc/68/71/28/1131687128.db2.gz KZZYZOAABVFCNR-UHFFFAOYSA-N 0 0 286.375 3.833 20 10 CHCDRN CCc1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000846099913 1131689394 /nfs/dbraw/zinc/68/93/94/1131689394.db2.gz AWSGFIUDECRGMN-UHFFFAOYSA-N 0 0 275.779 3.898 20 10 CHCDRN CCOc1ccc(N[C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846159857 1131692380 /nfs/dbraw/zinc/69/23/80/1131692380.db2.gz RIBRLDSLWUVGTD-LBPRGKRZSA-N 0 0 287.359 3.973 20 10 CHCDRN 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1131730584 /nfs/dbraw/zinc/73/05/84/1131730584.db2.gz CJALMBJHUCZDHM-MRXNPFEDSA-N 0 0 288.366 3.518 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000834909249 1131731020 /nfs/dbraw/zinc/73/10/20/1131731020.db2.gz KDVPEFFCVQXUJV-MNOVXSKESA-N 0 0 299.361 3.526 20 10 CHCDRN CC[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cccc(Cl)c1[O-] ZINC000834913131 1131732008 /nfs/dbraw/zinc/73/20/08/1131732008.db2.gz GNXFATDKPHLZTK-GYSYKLTISA-N 0 0 283.799 3.654 20 10 CHCDRN C[C@@H]([NH2+][C@H](C1CC1)C1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834912417 1131732128 /nfs/dbraw/zinc/73/21/28/1131732128.db2.gz ROXJOSILNHOQBN-HWPZZCPQSA-N 0 0 290.363 3.530 20 10 CHCDRN CN(Cc1ccc(Cl)cc1O)Cc1cccc(F)c1F ZINC001140464395 1131751152 /nfs/dbraw/zinc/75/11/52/1131751152.db2.gz OADBITHPTLEDPB-UHFFFAOYSA-N 0 0 297.732 3.956 20 10 CHCDRN CN(C)c1ccc(O[C@H](c2cccnc2)C2CC2)cc1 ZINC001227939282 1131772209 /nfs/dbraw/zinc/77/22/09/1131772209.db2.gz RBFXNSQCHNOUIP-KRWDZBQOSA-N 0 0 268.360 3.678 20 10 CHCDRN CN(C)c1ccc(O[C@H]2C[C@H](OCc3ccccc3)C2)cc1 ZINC001227942783 1131772678 /nfs/dbraw/zinc/77/26/78/1131772678.db2.gz SHETZRPXIPHBIF-WGSAOQKQSA-N 0 0 297.398 3.879 20 10 CHCDRN Cc1scc(C(=O)NCc2c(C)cc(C)cc2O)c1C ZINC001147536792 1131829400 /nfs/dbraw/zinc/82/94/00/1131829400.db2.gz YJKKRJGPDUTXDL-UHFFFAOYSA-N 0 0 289.400 3.617 20 10 CHCDRN Cc1ccc(O)c(C[N@@H+]2CCc3ccc(Cl)cc3C2)c1 ZINC001140617284 1131829436 /nfs/dbraw/zinc/82/94/36/1131829436.db2.gz KKWMGCXRJNIFEU-UHFFFAOYSA-N 0 0 287.790 3.912 20 10 CHCDRN CCc1nc(C)c(CN(CC)c2ccc(OC)cc2)o1 ZINC000794412943 1131844201 /nfs/dbraw/zinc/84/42/01/1131844201.db2.gz LLRQFCASHBAXPT-UHFFFAOYSA-N 0 0 274.364 3.581 20 10 CHCDRN C[C@H](NC(=O)CCC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773001376 1131915994 /nfs/dbraw/zinc/91/59/94/1131915994.db2.gz TUNQFBMHPIBZHX-ZDUSSCGKSA-N 0 0 276.424 3.756 20 10 CHCDRN C[C@@H](NC(=O)[C@@H]1CCCC1(C)C)c1ccc(N(C)C)cc1 ZINC000773008593 1131918014 /nfs/dbraw/zinc/91/80/14/1131918014.db2.gz GQJAUIOXGRKTSY-CJNGLKHVSA-N 0 0 288.435 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/nfs/dbraw/zinc/22/67/21/1132226721.db2.gz RGSFSPQPUPDRSQ-OAHLLOKOSA-N 0 0 286.331 3.541 20 10 CHCDRN C[C@H](NC(=O)C(C)(C)CC(F)F)c1ccc(N(C)C)cc1 ZINC000839729218 1132232270 /nfs/dbraw/zinc/23/22/70/1132232270.db2.gz SFYQDERTUAXPLP-NSHDSACASA-N 0 0 298.377 3.611 20 10 CHCDRN Cc1ccc(OC(=O)[C@H](C)O)c(/N=N/c2ccccc2)c1 ZINC001231327677 1132282376 /nfs/dbraw/zinc/28/23/76/1132282376.db2.gz RPKIVRCKCIKOOW-HNAMICAMSA-N 0 0 284.315 3.697 20 10 CHCDRN CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000840859597 1132295338 /nfs/dbraw/zinc/29/53/38/1132295338.db2.gz NXSAIEJZVQZKLV-PUTJDCORSA-N 0 0 299.361 3.525 20 10 CHCDRN CC[C@H]([NH2+]C1CCC(COC)CC1)c1ccc(F)cc1[O-] ZINC000840875870 1132301073 /nfs/dbraw/zinc/30/10/73/1132301073.db2.gz JZOQVLIOIRBBAT-PXCJXSSVSA-N 0 0 295.398 3.777 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1csnn1)c1cccc(Cl)c1[O-] ZINC000840886265 1132301620 /nfs/dbraw/zinc/30/16/20/1132301620.db2.gz UJWAUEFNCRETGK-KCJUWKMLSA-N 0 0 297.811 3.699 20 10 CHCDRN Cc1cc(O)c(CN(C)Cc2ccco2)c(Cl)c1 ZINC000840909287 1132308506 /nfs/dbraw/zinc/30/85/06/1132308506.db2.gz GHXUSCGUQGKVLX-UHFFFAOYSA-N 0 0 265.740 3.579 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)ncn2C ZINC000840937997 1132309487 /nfs/dbraw/zinc/30/94/87/1132309487.db2.gz YUHTVPOJRBXXDW-UHFFFAOYSA-N 0 0 294.402 3.560 20 10 CHCDRN Oc1ccc2ccccc2c1CN1CC(F)(F)C[C@H]1CF ZINC001231586383 1132319302 /nfs/dbraw/zinc/31/93/02/1132319302.db2.gz GFOFEWYRWPWDAK-LBPRGKRZSA-N 0 0 295.304 3.725 20 10 CHCDRN Oc1ccc(F)cc1CNc1ccc2c(c1)CCCN2 ZINC000841035098 1132321059 /nfs/dbraw/zinc/32/10/59/1132321059.db2.gz FLCHPCRZKWZCFG-UHFFFAOYSA-N 0 0 272.323 3.502 20 10 CHCDRN COc1ccc(C[C@@H](C)CNc2ccc(N)cc2)cc1F ZINC000841040163 1132323610 /nfs/dbraw/zinc/32/36/10/1132323610.db2.gz KVJRNNLHGBCLFT-GFCCVEGCSA-N 0 0 288.366 3.707 20 10 CHCDRN CN(C)c1ccc(CN2CCCNc3ccccc32)cc1 ZINC000841088897 1132326833 /nfs/dbraw/zinc/32/68/33/1132326833.db2.gz FKIILYVLLCHULM-UHFFFAOYSA-N 0 0 281.403 3.575 20 10 CHCDRN CCN(Cc1ccccc1O)Cc1ccc(C)nc1Cl ZINC001142143868 1132332440 /nfs/dbraw/zinc/33/24/40/1132332440.db2.gz IUTCXVDVVRJNSI-UHFFFAOYSA-N 0 0 290.794 3.771 20 10 CHCDRN Nc1ccc(NC(=O)N2CCC[C@H](c3ccccc3)C2)cc1 ZINC000841298338 1132342755 /nfs/dbraw/zinc/34/27/55/1132342755.db2.gz AOTVRWDBRIMHCP-HNNXBMFYSA-N 0 0 295.386 3.680 20 10 CHCDRN Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(N)cc1)CCC2 ZINC000841298728 1132343020 /nfs/dbraw/zinc/34/30/20/1132343020.db2.gz DOQMPNDCLFSKOZ-KRWDZBQOSA-N 0 0 295.386 3.776 20 10 CHCDRN CC(C)(CNC(=O)Nc1ccc(N)cc1)C1=CCCCC1 ZINC000841296682 1132343065 /nfs/dbraw/zinc/34/30/65/1132343065.db2.gz XDGPRCCSCSWJOM-UHFFFAOYSA-N 0 0 287.407 3.917 20 10 CHCDRN Cc1cc(O)c(C[N@@H+]2C[C@@H](C)C[C@H]2CF)cc1Cl ZINC001231867957 1132383282 /nfs/dbraw/zinc/38/32/82/1132383282.db2.gz OKVIBLVHKMLYTP-CABZTGNLSA-N 0 0 271.763 3.534 20 10 CHCDRN COC1CCC(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841749069 1132390321 /nfs/dbraw/zinc/39/03/21/1132390321.db2.gz BQOHWCIGRLNLAH-LKSINWNRSA-N 0 0 297.826 3.901 20 10 CHCDRN C[C@@H]([NH2+]CC1(CCO)CCCC1)c1ccc(Cl)cc1[O-] ZINC000841756637 1132391415 /nfs/dbraw/zinc/39/14/15/1132391415.db2.gz ZFZZXTPLEXWNRE-GFCCVEGCSA-N 0 0 297.826 3.639 20 10 CHCDRN Cc1cnccc1CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841752926 1132391900 /nfs/dbraw/zinc/39/19/00/1132391900.db2.gz WDVNYVMCDWLONG-LBPRGKRZSA-N 0 0 290.794 3.642 20 10 CHCDRN CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C12CCC2 ZINC000841753331 1132391989 /nfs/dbraw/zinc/39/19/89/1132391989.db2.gz GYLWDCXJNSXXDY-NZVBXONLSA-N 0 0 295.810 3.654 20 10 CHCDRN C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841753814 1132392800 /nfs/dbraw/zinc/39/28/00/1132392800.db2.gz NNWDWYUCFJQHJA-AGIUHOORSA-N 0 0 297.826 3.901 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841751803 1132392834 /nfs/dbraw/zinc/39/28/34/1132392834.db2.gz KOJXJDJWYLEHPC-NKFCBESUSA-N 0 0 295.810 3.654 20 10 CHCDRN CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCO1 ZINC000841759619 1132394565 /nfs/dbraw/zinc/39/45/65/1132394565.db2.gz OOZUXNHEQUWSGZ-NORZTCDRSA-N 0 0 297.826 3.900 20 10 CHCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CC1(C)C ZINC001231912315 1132399572 /nfs/dbraw/zinc/39/95/72/1132399572.db2.gz DFFWWBWAWUIVCD-LLVKDONJSA-N 0 0 253.773 3.524 20 10 CHCDRN CCn1cncc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000841843327 1132400295 /nfs/dbraw/zinc/40/02/95/1132400295.db2.gz JGOHELIQCXZGFN-UHFFFAOYSA-N 0 0 299.418 3.553 20 10 CHCDRN CN(C(=O)C1=CC(=O)CS1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000842272836 1132414501 /nfs/dbraw/zinc/41/45/01/1132414501.db2.gz SQIIBXAKNWTAFG-NEPJUHHUSA-N 0 0 281.421 3.741 20 10 CHCDRN CN(Cc1ccccc1O)Cc1c(F)cc(F)cc1Cl ZINC001232103368 1132423737 /nfs/dbraw/zinc/42/37/37/1132423737.db2.gz FPHGOAKMSGXQRB-UHFFFAOYSA-N 0 0 297.732 3.956 20 10 CHCDRN CCOc1ccc(O)c(CNc2n[nH]c(C(C)C)c2C)c1 ZINC000842749911 1132458028 /nfs/dbraw/zinc/45/80/28/1132458028.db2.gz VDGKYXQKQHUQEH-UHFFFAOYSA-N 0 0 289.379 3.558 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000842930025 1132477445 /nfs/dbraw/zinc/47/74/45/1132477445.db2.gz RONWXWMBIGYYSU-HOTUBEGUSA-N 0 0 271.813 3.590 20 10 CHCDRN Nc1ccc(Cc2noc(CC3CCCCCC3)n2)cc1 ZINC000843159980 1132499439 /nfs/dbraw/zinc/49/94/39/1132499439.db2.gz UABIGSOGNULJEV-UHFFFAOYSA-N 0 0 285.391 3.756 20 10 CHCDRN C[C@@H]1CCCC[C@@H]1c1nc(Cc2ccc(N)cc2)no1 ZINC000843159776 1132499659 /nfs/dbraw/zinc/49/96/59/1132499659.db2.gz AROKIOQAUIXCQV-RISCZKNCSA-N 0 0 271.364 3.536 20 10 CHCDRN CCCCOC1CN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110784 1132503477 /nfs/dbraw/zinc/50/34/77/1132503477.db2.gz OVYSDZSEKCAZDX-UHFFFAOYSA-N 0 0 291.435 3.691 20 10 CHCDRN Nc1ccc(CC(=O)N2CCCCCc3ccccc32)cc1 ZINC000843445096 1132535353 /nfs/dbraw/zinc/53/53/53/1132535353.db2.gz UZBSMBQUBXNNDO-UHFFFAOYSA-N 0 0 294.398 3.571 20 10 CHCDRN Oc1cc(Cl)ccc1CNc1cncc2c1CCCC2 ZINC001206636748 1132564465 /nfs/dbraw/zinc/56/44/65/1132564465.db2.gz RDZZAZAVNAQPOI-UHFFFAOYSA-N 0 0 288.778 3.932 20 10 CHCDRN Cc1ccc(CC[N@@H+](C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC001233077129 1132569328 /nfs/dbraw/zinc/56/93/28/1132569328.db2.gz FQWVKQQYRCDODD-UHFFFAOYSA-N 0 0 291.341 3.653 20 10 CHCDRN C[C@@H](NC(=O)c1cccc(F)c1Cl)c1ccccc1O ZINC001151885839 1132573964 /nfs/dbraw/zinc/57/39/64/1132573964.db2.gz JQZZUFXOUUXIKH-SECBINFHSA-N 0 0 293.725 3.676 20 10 CHCDRN C[C@@H](NC(=O)c1cc2occc2s1)c1ccccc1O ZINC001151885648 1132574633 /nfs/dbraw/zinc/57/46/33/1132574633.db2.gz AOFMVTVEEFUFRZ-SECBINFHSA-N 0 0 287.340 3.691 20 10 CHCDRN Cc1c2ccccc2oc1C(=O)N[C@@H](C)c1ccccc1O ZINC001151892375 1132574642 /nfs/dbraw/zinc/57/46/42/1132574642.db2.gz PPQHOAQKCZEPFG-LBPRGKRZSA-N 0 0 295.338 3.938 20 10 CHCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001233335439 1132604186 /nfs/dbraw/zinc/60/41/86/1132604186.db2.gz VHHNAWHNISQHOA-NEPJUHHUSA-N 0 0 281.346 3.683 20 10 CHCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC12CCCCC2 ZINC001233332722 1132604479 /nfs/dbraw/zinc/60/44/79/1132604479.db2.gz VQILTOXUSHPISV-UHFFFAOYSA-N 0 0 267.319 3.579 20 10 CHCDRN Oc1c(CN2CCCC(F)(F)C2)cccc1C(F)(F)F ZINC001233415625 1132618681 /nfs/dbraw/zinc/61/86/81/1132618681.db2.gz CWDDPSHWGMYPTI-UHFFFAOYSA-N 0 0 295.251 3.642 20 10 CHCDRN C[N@@H+](Cc1cccc(C(F)(F)F)c1[O-])CC1CCC1 ZINC001233418752 1132621660 /nfs/dbraw/zinc/62/16/60/1132621660.db2.gz UNVFFKOUULHVME-UHFFFAOYSA-N 0 0 273.298 3.643 20 10 CHCDRN C[N@H+](Cc1ccc(C(F)(F)F)cc1[O-])C1CCCC1 ZINC001233454401 1132626221 /nfs/dbraw/zinc/62/62/21/1132626221.db2.gz TZAQAICPRZBJIT-UHFFFAOYSA-N 0 0 273.298 3.785 20 10 CHCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H](C)[C@@H](C)CC ZINC001233498862 1132628696 /nfs/dbraw/zinc/62/86/96/1132628696.db2.gz WNNUYEFVQCUBMA-QWRGUYRKSA-N 0 0 280.364 3.894 20 10 CHCDRN CCCC(=O)c1cc(O)c(O)cc1OC1CCCCC1 ZINC001233498838 1132629337 /nfs/dbraw/zinc/62/93/37/1132629337.db2.gz WJQHUPLODNQWIA-UHFFFAOYSA-N 0 0 278.348 3.792 20 10 CHCDRN CCN(Cc1ccccc1O)c1nncc2ccc(F)cc21 ZINC001154888478 1132629711 /nfs/dbraw/zinc/62/97/11/1132629711.db2.gz FCMHLRRJGXOHIN-UHFFFAOYSA-N 0 0 297.333 3.501 20 10 CHCDRN CCN(Cc1ccccc1O)c1nc(C)cc2cccnc21 ZINC001154890583 1132631237 /nfs/dbraw/zinc/63/12/37/1132631237.db2.gz CUDQFBDIOVWBFJ-UHFFFAOYSA-N 0 0 293.370 3.670 20 10 CHCDRN CCN1CCc2cc(O[C@@H](C)c3ccncc3)ccc21 ZINC001233600813 1132646515 /nfs/dbraw/zinc/64/65/15/1132646515.db2.gz BHJQBJMLHQVKQD-ZDUSSCGKSA-N 0 0 268.360 3.604 20 10 CHCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1ccoc1 ZINC001173932881 1132646643 /nfs/dbraw/zinc/64/66/43/1132646643.db2.gz UTIIVSKCMDKRQT-SLZIDGBESA-N 0 0 279.303 3.547 20 10 CHCDRN CCN1CCc2cc(O[C@@H](C)c3cccnc3)ccc21 ZINC001233608224 1132647377 /nfs/dbraw/zinc/64/73/77/1132647377.db2.gz RZMRNNWTAIWRES-ZDUSSCGKSA-N 0 0 268.360 3.604 20 10 CHCDRN Nc1ccc(OC(=O)c2ccc(NC3=CCCC3)cc2)cc1 ZINC001173998970 1132671023 /nfs/dbraw/zinc/67/10/23/1132671023.db2.gz YKXOGRSCVKQQLY-UHFFFAOYSA-N 0 0 294.354 3.968 20 10 CHCDRN Cc1nc(N(C)Cc2ccc(N(C)C)cc2)ccc1Cl ZINC001156924072 1132715208 /nfs/dbraw/zinc/71/52/08/1132715208.db2.gz OEIDFNFQLWZSPS-UHFFFAOYSA-N 0 0 289.810 3.746 20 10 CHCDRN Cc1ccc2nc(NCc3ccc(O)c(O)c3)ccc2c1 ZINC001158994728 1132801067 /nfs/dbraw/zinc/80/10/67/1132801067.db2.gz SUYGKFKHVBGWEA-UHFFFAOYSA-N 0 0 280.327 3.567 20 10 CHCDRN Cc1c(Cl)cnc(Cl)c1NCc1ccc(O)c(O)c1 ZINC001158997603 1132802114 /nfs/dbraw/zinc/80/21/14/1132802114.db2.gz LXOUFLPLQABECX-UHFFFAOYSA-N 0 0 299.157 3.720 20 10 CHCDRN Cc1c(Nc2cccc3c2C(=O)c2ccccc2-3)cnn1C ZINC001174392225 1132809405 /nfs/dbraw/zinc/80/94/05/1132809405.db2.gz URKDRIANQXGKJK-UHFFFAOYSA-N 0 0 289.338 3.684 20 10 CHCDRN Nc1ccc(Nc2cc(Cl)cnc2Cl)cc1 ZINC001159143661 1132811932 /nfs/dbraw/zinc/81/19/32/1132811932.db2.gz YVCORPGZBDJHPI-UHFFFAOYSA-N 0 0 254.120 3.714 20 10 CHCDRN CCc1c(C)sc(Nc2ccc(N)cc2)c1C(=O)OC ZINC001159152720 1132813162 /nfs/dbraw/zinc/81/31/62/1132813162.db2.gz BZLRBWPAYANEAI-UHFFFAOYSA-N 0 0 290.388 3.731 20 10 CHCDRN Nc1ccc(Nc2cc(Cl)cnc2Br)cc1 ZINC001159170831 1132814762 /nfs/dbraw/zinc/81/47/62/1132814762.db2.gz QSHZOKSSEJDSHU-UHFFFAOYSA-N 0 0 298.571 3.823 20 10 CHCDRN Nc1ccc(Nc2cc(F)c(Cl)nc2Cl)cc1 ZINC001159215578 1132817160 /nfs/dbraw/zinc/81/71/60/1132817160.db2.gz NBFJOEROGRPMDG-UHFFFAOYSA-N 0 0 272.110 3.853 20 10 CHCDRN FC(F)Oc1cc(Nc2ccc3c(c2)CCCN3)ccn1 ZINC001159314333 1132831565 /nfs/dbraw/zinc/83/15/65/1132831565.db2.gz XASNFHMECYAXDA-UHFFFAOYSA-N 0 0 291.301 3.785 20 10 CHCDRN Cc1cc(Nc2ccc(N)cc2)n(Cc2ccccc2F)n1 ZINC001159354779 1132833532 /nfs/dbraw/zinc/83/35/32/1132833532.db2.gz MHTKJIIXTKHCHH-UHFFFAOYSA-N 0 0 296.349 3.705 20 10 CHCDRN COc1ccc(Nc2ccc(N)cc2)c(OC(F)(F)F)c1 ZINC001159485666 1132853482 /nfs/dbraw/zinc/85/34/82/1132853482.db2.gz PLFPOPLGZBFYAM-UHFFFAOYSA-N 0 0 298.264 3.920 20 10 CHCDRN CC(C)Oc1ccc(Nc2ccc(N)cc2)c(F)c1 ZINC001159485242 1132853781 /nfs/dbraw/zinc/85/37/81/1132853781.db2.gz HYRHVHFOWNSWJQ-UHFFFAOYSA-N 0 0 260.312 3.939 20 10 CHCDRN CCOc1ccc(F)c(F)c1Nc1ccc(N)cc1 ZINC001159485241 1132854142 /nfs/dbraw/zinc/85/41/42/1132854142.db2.gz HYDJRNIGUYYTCT-UHFFFAOYSA-N 0 0 264.275 3.689 20 10 CHCDRN COc1cc(Nc2ccc3c(c2)CCN3)cc(C)c1F ZINC001159522056 1132857930 /nfs/dbraw/zinc/85/79/30/1132857930.db2.gz BSKJZINMGMALOY-UHFFFAOYSA-N 0 0 272.323 3.854 20 10 CHCDRN CCn1cc(Nc2ccccc2Cc2ccc(N)cc2)cn1 ZINC001174572154 1132914299 /nfs/dbraw/zinc/91/42/99/1132914299.db2.gz NFCJITMKEMMTGX-UHFFFAOYSA-N 0 0 292.386 3.820 20 10 CHCDRN CC(C)(C)OC(=O)c1ccccc1Nc1ccc(N)cc1 ZINC001160200077 1132945101 /nfs/dbraw/zinc/94/51/01/1132945101.db2.gz XPDVLKYPFBYGPC-UHFFFAOYSA-N 0 0 284.359 3.968 20 10 CHCDRN Cc1nc(Cl)cc(NCc2cc3ccccc3cc2O)n1 ZINC001160205242 1132946238 /nfs/dbraw/zinc/94/62/38/1132946238.db2.gz BJXTXEIEWDERST-UHFFFAOYSA-N 0 0 299.761 3.909 20 10 CHCDRN CNc1ccccc1Nc1ccc2c(c1)CCCN2 ZINC001160340592 1132965453 /nfs/dbraw/zinc/96/54/53/1132965453.db2.gz URIUTARTTHLNNM-UHFFFAOYSA-N 0 0 253.349 3.830 20 10 CHCDRN Cc1cccc(CNc2cnc3cccc(C)c3n2)c1O ZINC001160768856 1132979660 /nfs/dbraw/zinc/97/96/60/1132979660.db2.gz CDVHCHWSFBHELE-UHFFFAOYSA-N 0 0 279.343 3.564 20 10 CHCDRN Cc1cccc(CNc2cc(Cl)nc(C3CC3)n2)c1O ZINC001160765186 1132979770 /nfs/dbraw/zinc/97/97/70/1132979770.db2.gz VXRUUWSYBWLGSP-UHFFFAOYSA-N 0 0 289.766 3.634 20 10 CHCDRN Cc1cccc(CNc2cc(-c3cccs3)ncn2)c1O ZINC001160769512 1132980948 /nfs/dbraw/zinc/98/09/48/1132980948.db2.gz HAVVDBLFWWOAFQ-UHFFFAOYSA-N 0 0 297.383 3.831 20 10 CHCDRN CCSc1ccnc(NCc2cccc(C)c2O)c1 ZINC001160770974 1132981084 /nfs/dbraw/zinc/98/10/84/1132981084.db2.gz IUQRLHAGNVFLPO-UHFFFAOYSA-N 0 0 274.389 3.820 20 10 CHCDRN Cc1cccc(CNc2nccc(C)c2Cl)c1O ZINC001160769490 1132981158 /nfs/dbraw/zinc/98/11/58/1132981158.db2.gz PGSNHMITUYXZHP-UHFFFAOYSA-N 0 0 262.740 3.670 20 10 CHCDRN Cc1cccc(CNc2nc(C)nc3ccccc32)c1O ZINC001160769768 1132981178 /nfs/dbraw/zinc/98/11/78/1132981178.db2.gz UMRJJEBIAIXUNE-UHFFFAOYSA-N 0 0 279.343 3.564 20 10 CHCDRN Cc1cc(C)c(CNc2nc(C)nc3ccsc32)c(O)c1 ZINC001160808136 1132982107 /nfs/dbraw/zinc/98/21/07/1132982107.db2.gz LMVOZROQVMHACV-UHFFFAOYSA-N 0 0 299.399 3.934 20 10 CHCDRN Cc1cc(C)c(CNc2nc(C)c3ccccc3n2)c(O)c1 ZINC001160809826 1132983236 /nfs/dbraw/zinc/98/32/36/1132983236.db2.gz ARJWWCZSHXSZJC-UHFFFAOYSA-N 0 0 293.370 3.873 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)c1nc2ccccc2o1 ZINC001162770727 1133111222 /nfs/dbraw/zinc/11/12/22/1133111222.db2.gz XSCPABCNOWQPMF-UHFFFAOYSA-N 0 0 295.386 3.920 20 10 CHCDRN COc1cc2ccnc(NCc3ccc(N)cc3)c2cc1F ZINC001162789163 1133112211 /nfs/dbraw/zinc/11/22/11/1133112211.db2.gz BEXQBTIWAXCGMJ-UHFFFAOYSA-N 0 0 297.333 3.577 20 10 CHCDRN Nc1ccc(CNc2nccc3ccc(F)cc32)cc1 ZINC001162785605 1133112319 /nfs/dbraw/zinc/11/23/19/1133112319.db2.gz JTUHQJMJUFRQON-UHFFFAOYSA-N 0 0 267.307 3.568 20 10 CHCDRN Cc1c(Cl)nc(C(C)C)nc1NCc1ccc(N)cc1 ZINC001162790284 1133112488 /nfs/dbraw/zinc/11/24/88/1133112488.db2.gz RSOWJJAXTZCFTB-UHFFFAOYSA-N 0 0 290.798 3.756 20 10 CHCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc(Cl)cc1 ZINC001165498750 1133242885 /nfs/dbraw/zinc/24/28/85/1133242885.db2.gz QKDAGDDAEMHNMD-UHFFFAOYSA-N 0 0 296.153 3.629 20 10 CHCDRN Cc1ccc(O[C@@H]2CCC[N@H+](Cc3ccccc3O)C2)cc1 ZINC001203556913 1133338864 /nfs/dbraw/zinc/33/88/64/1133338864.db2.gz WYIAOMLWQIIESB-GOSISDBHSA-N 0 0 297.398 3.744 20 10 CHCDRN Oc1ccccc1C[N@H+](Cc1ccccc1)C1CCOCC1 ZINC001203555688 1133339576 /nfs/dbraw/zinc/33/95/76/1133339576.db2.gz BVUFCMWTOJVRAE-UHFFFAOYSA-N 0 0 297.398 3.573 20 10 CHCDRN COc1cccc([C@@H]2CCC[N@H+](Cc3ccccc3O)C2)c1 ZINC001203561373 1133340527 /nfs/dbraw/zinc/34/05/27/1133340527.db2.gz SYASYSHNJNCPQC-MRXNPFEDSA-N 0 0 297.398 3.780 20 10 CHCDRN C[N@H+](Cc1ccc(O)cc1O)Cc1cccc2ccccc21 ZINC001204275600 1133426753 /nfs/dbraw/zinc/42/67/53/1133426753.db2.gz WWNINLBMZWSRLR-UHFFFAOYSA-N 0 0 293.366 3.883 20 10 CHCDRN FC1(F)CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204320184 1133437118 /nfs/dbraw/zinc/43/71/18/1133437118.db2.gz NWPDTKKVDGLAKL-UHFFFAOYSA-N 0 0 280.362 3.518 20 10 CHCDRN C[C@H]1Cc2ccccc2N1Cc1ccc(Cl)cc1O ZINC001205143484 1133536338 /nfs/dbraw/zinc/53/63/38/1133536338.db2.gz MYUMLZLDRJUFPM-NSHDSACASA-N 0 0 273.763 3.997 20 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/nfs/dbraw/zinc/16/69/52/260166952.db2.gz CTHFDBNZQLTAIO-MRXNPFEDSA-N 0 0 283.371 3.544 20 10 CHCDRN C[C@@H](CCC1CCCCC1)NC(=O)Cc1ccc(N)cc1 ZINC000159164514 261180110 /nfs/dbraw/zinc/18/01/10/261180110.db2.gz IUROERRKANJYMF-AWEZNQCLSA-N 0 0 288.435 3.677 20 10 CHCDRN CC[C@@H](CC1CCCC1)C(=O)Nc1ccc(N)cc1 ZINC000160340622 261211493 /nfs/dbraw/zinc/21/14/93/261211493.db2.gz BBJWHQAUROXZLP-ZDUSSCGKSA-N 0 0 260.381 3.814 20 10 CHCDRN CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185437296 262053828 /nfs/dbraw/zinc/05/38/28/262053828.db2.gz BKTXMVWCDGHBNE-RKDXNWHRSA-N 0 0 292.206 3.511 20 10 CHCDRN C[C@H](CCCO)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185689893 262066490 /nfs/dbraw/zinc/06/64/90/262066490.db2.gz DYDWSUPINLYWGR-BDAKNGLRSA-N 0 0 292.206 3.511 20 10 CHCDRN COC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000186034458 262076053 /nfs/dbraw/zinc/07/60/53/262076053.db2.gz HYJCWCFVHQXHNA-BLLLJJGKSA-N 0 0 289.350 3.570 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1[O-] ZINC000186129190 262081209 /nfs/dbraw/zinc/08/12/09/262081209.db2.gz UUHSBRYFKFDLMN-OCCSQVGLSA-N 0 0 293.382 3.674 20 10 CHCDRN CN(C(=O)/C=C/c1cccnc1)c1ccc(Cl)cc1F ZINC000492950590 262252000 /nfs/dbraw/zinc/25/20/00/262252000.db2.gz JGBCYTLZYHVRTJ-QPJJXVBHSA-N 0 0 290.725 3.550 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(F)cc1[O-] ZINC000285496595 263093496 /nfs/dbraw/zinc/09/34/96/263093496.db2.gz APSYXSOZKBCRIE-JLJPHGGASA-N 0 0 293.382 3.530 20 10 CHCDRN CC[C@H]([NH2+]CC1(CCOC)CC1)c1cccc(Cl)c1[O-] ZINC000287859348 328252059 /nfs/dbraw/zinc/25/20/59/328252059.db2.gz XFOMOYUBUDJCBD-AWEZNQCLSA-N 0 0 297.826 3.903 20 10 CHCDRN COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000090339802 327094336 /nfs/dbraw/zinc/09/43/36/327094336.db2.gz ALMSMCNPZWZULZ-VXGBXAGGSA-N 0 0 289.350 3.952 20 10 CHCDRN Cc1c2cc(OCC3CCOCC3)ccc2n(C)c1C ZINC000562937485 327526849 /nfs/dbraw/zinc/52/68/49/327526849.db2.gz NMAFOKFIBSATMF-UHFFFAOYSA-N 0 0 273.376 3.601 20 10 CHCDRN CCCO[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000180180586 329218265 /nfs/dbraw/zinc/21/82/65/329218265.db2.gz MBFRNRVAHXGIOQ-AWEZNQCLSA-N 0 0 297.826 3.827 20 10 CHCDRN C[C@H]1CN(Cc2c[nH]nc2-c2cccnc2)c2ccccc21 ZINC000180679084 329221878 /nfs/dbraw/zinc/22/18/78/329221878.db2.gz QXLJABKILGOHEQ-ZDUSSCGKSA-N 0 0 290.370 3.595 20 10 CHCDRN Nc1ccc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cc1 ZINC000238086436 329695507 /nfs/dbraw/zinc/69/55/07/329695507.db2.gz NBZLXPLLMWHDLJ-IEBWSBKVSA-N 0 0 292.382 3.502 20 10 CHCDRN CCCC[C@H](CC)C(=O)N(C)Cc1ccccc1O ZINC000268610655 330066084 /nfs/dbraw/zinc/06/60/84/330066084.db2.gz HGAYYMKPTWLRRG-ZDUSSCGKSA-N 0 0 263.381 3.567 20 10 CHCDRN C[C@H](Nc1cccc2c1OCC2)c1ccccc1O ZINC000527956583 330294764 /nfs/dbraw/zinc/29/47/64/330294764.db2.gz LEGAJOCRVSAAFZ-NSHDSACASA-N 0 0 255.317 3.500 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1ccccc1O ZINC000527963794 330301008 /nfs/dbraw/zinc/30/10/08/330301008.db2.gz PKGGTVASJZQHLZ-MRXNPFEDSA-N 0 0 295.386 3.520 20 10 CHCDRN CC(C)N(C(=O)CSc1nccs1)c1ccccc1 ZINC000072001137 519559930 /nfs/dbraw/zinc/55/99/30/519559930.db2.gz VTLQOENVYFCAJZ-UHFFFAOYSA-N 0 0 292.429 3.677 20 10 CHCDRN CC(C)CC[C@H]1CCCCN1C(=O)Cc1ccc(N)cc1 ZINC000236625222 519693922 /nfs/dbraw/zinc/69/39/22/519693922.db2.gz FBFDXHNYJQMDFY-QGZVFWFLSA-N 0 0 288.435 3.629 20 10 CHCDRN CC(C)CC[C@H]1CCC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000236627855 519694863 /nfs/dbraw/zinc/69/48/63/519694863.db2.gz HIOPSIULHIJJCY-NVXWUHKLSA-N 0 0 288.435 3.532 20 10 CHCDRN CC(C)c1csc(CNCc2c(O)cccc2Cl)n1 ZINC000125624576 519854588 /nfs/dbraw/zinc/85/45/88/519854588.db2.gz HXFMKVIOHKRCFR-UHFFFAOYSA-N 0 0 296.823 3.915 20 10 CHCDRN CCOc1ccc(N[C@H]2CCc3cccc(O)c32)cc1OC ZINC000296225114 521138252 /nfs/dbraw/zinc/13/82/52/521138252.db2.gz AHXXRTNFLVRVLF-AWEZNQCLSA-N 0 0 299.370 3.899 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)/C=C/C(C)(C)C ZINC000265402977 521686646 /nfs/dbraw/zinc/68/66/46/521686646.db2.gz JEZHWTBEUCPRCP-ZHACJKMWSA-N 0 0 275.392 3.733 20 10 CHCDRN CC[C@H](C)Oc1ccc(NC(=O)Cc2ccc(N)cc2)cc1 ZINC000066153917 521771589 /nfs/dbraw/zinc/77/15/89/521771589.db2.gz YOJVKIVUPAZDJG-ZDUSSCGKSA-N 0 0 298.386 3.627 20 10 CHCDRN CC[C@H](CC(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000236930551 522101782 /nfs/dbraw/zinc/10/17/82/522101782.db2.gz PLMLCLGGIWPCJY-MRXNPFEDSA-N 0 0 296.414 3.511 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(F)cc1[O-] ZINC000286153098 522713933 /nfs/dbraw/zinc/71/39/33/522713933.db2.gz PMZHGUGCGDVRTH-DLTWYDFYSA-N 0 0 293.382 3.530 20 10 CHCDRN CC[C@H](Nc1ccc(CCO)cc1)c1ccc(C)cc1O ZINC000280095446 522766626 /nfs/dbraw/zinc/76/66/26/522766626.db2.gz MSIUIVWDNRNIAS-KRWDZBQOSA-N 0 0 285.387 3.799 20 10 CHCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H]1CCSC1 ZINC000130564510 523172775 /nfs/dbraw/zinc/17/27/75/523172775.db2.gz VFSMZJSILNFZPJ-JTQLQIEISA-N 0 0 292.231 3.636 20 10 CHCDRN COc1ccc(N(Cc2cc(C)ncn2)[C@@H](C)C2CC2)cc1 ZINC000293124129 524367408 /nfs/dbraw/zinc/36/74/08/524367408.db2.gz KSNGGPRKGRDJTR-AWEZNQCLSA-N 0 0 297.402 3.599 20 10 CHCDRN COc1ccc(N[C@@H](C)c2cc(F)ccc2O)c(OC)c1 ZINC000094616581 524701404 /nfs/dbraw/zinc/70/14/04/524701404.db2.gz PVLWKRMDGHZXCT-JTQLQIEISA-N 0 0 291.322 3.722 20 10 CHCDRN C[C@H]([NH2+]CCC1CCCC1)c1ccc(F)cc1[O-] ZINC000062747676 525330212 /nfs/dbraw/zinc/33/02/12/525330212.db2.gz PNPQMVMRPJPPDL-NSHDSACASA-N 0 0 251.345 3.762 20 10 CHCDRN Cc1ccc(O)c(CNc2ccc(NC(=O)C3CC3)cc2)c1 ZINC000103855056 525354344 /nfs/dbraw/zinc/35/43/44/525354344.db2.gz BFRGEQOXCXDBRV-UHFFFAOYSA-N 0 0 296.370 3.661 20 10 CHCDRN C[C@H](Nc1ccc2c(c1)CCO2)c1ccc(F)cc1O ZINC000062747504 525661504 /nfs/dbraw/zinc/66/15/04/525661504.db2.gz DZOCWDHWUIUUJQ-JTQLQIEISA-N 0 0 273.307 3.639 20 10 CHCDRN Cc1ccsc1/C=C1\SC(=S)N(C2CCC2)C1=O ZINC000292346967 525816737 /nfs/dbraw/zinc/81/67/37/525816737.db2.gz PJYHLODTJSMPNN-XFFZJAGNSA-N 0 0 295.454 3.810 20 10 CHCDRN Oc1ccccc1CNc1ccc2ncccc2c1 ZINC000054107849 526373985 /nfs/dbraw/zinc/37/39/85/526373985.db2.gz XVTRTWXEZSNPCV-UHFFFAOYSA-N 0 0 250.301 3.553 20 10 CHCDRN Oc1ccccc1CNc1ccc(N2CCCC2)c(F)c1 ZINC000037781062 526374890 /nfs/dbraw/zinc/37/48/90/526374890.db2.gz VTMSYYRSXAIWGI-UHFFFAOYSA-N 0 0 286.350 3.744 20 10 CHCDRN O=C(NCc1ccccc1O)c1cc(Cl)cc(Cl)c1 ZINC000133786599 1125493738 /nfs/dbraw/zinc/49/37/38/1125493738.db2.gz LTVHMBWJJUBWQL-UHFFFAOYSA-N 0 0 296.153 3.629 20 10 CHCDRN O=C(NCc1ccccc1O)c1cc2ccccc2s1 ZINC000133771959 1125494527 /nfs/dbraw/zinc/49/45/27/1125494527.db2.gz ZCIKMHYHKVZTLF-UHFFFAOYSA-N 0 0 283.352 3.537 20 10 CHCDRN C[C@H]([NH2+]C1CC(C(C)(C)C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593210596 994251100 /nfs/dbraw/zinc/25/11/00/994251100.db2.gz QMFMJSKQFWYQBM-PKSQDBQZSA-N 0 0 291.391 3.566 20 10 CHCDRN CC(C)[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775737845 1122931234 /nfs/dbraw/zinc/93/12/34/1122931234.db2.gz UEKVOTSUZCWHIC-JTQLQIEISA-N 0 0 271.763 3.663 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841759172 1132394519 /nfs/dbraw/zinc/39/45/19/1132394519.db2.gz OGMAIMQFNKQKDY-GRYCIOLGSA-N 0 0 283.799 3.511 20 10 CHCDRN C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1ccc(Cl)cc1[O-] ZINC000841758328 1132394990 /nfs/dbraw/zinc/39/49/90/1132394990.db2.gz LDBHMYCGPAPWDQ-QMTHXVAHSA-N 0 0 285.840 3.982 20 10 CHCDRN CCOc1ccc(NCc2cccc(OC)c2O)cc1F ZINC000135307377 1125583989 /nfs/dbraw/zinc/58/39/89/1125583989.db2.gz CGYOPPJNTJSLNL-UHFFFAOYSA-N 0 0 291.322 3.551 20 10 CHCDRN C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841755026 1125593699 /nfs/dbraw/zinc/59/36/99/1125593699.db2.gz FUUAJEIRJDTLRK-WCABBAIRSA-N 0 0 271.813 3.590 20 10 CHCDRN Cc1ccc(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841765311 1125601670 /nfs/dbraw/zinc/60/16/70/1125601670.db2.gz XUOZTUVDNJKVLJ-LBPRGKRZSA-N 0 0 290.794 3.642 20 10 CHCDRN Cc1cnc(CN2CCCc3cc(OC(F)F)ccc32)o1 ZINC000072580717 1125635074 /nfs/dbraw/zinc/63/50/74/1125635074.db2.gz NPJCQVDHRDCTHT-UHFFFAOYSA-N 0 0 294.301 3.537 20 10 CHCDRN CCc1nc([C@H](C)N[C@H](C)c2c(O)cccc2F)cs1 ZINC000886525918 1125684148 /nfs/dbraw/zinc/68/41/48/1125684148.db2.gz AYJAMBMXXAMBSE-VHSXEESVSA-N 0 0 294.395 3.962 20 10 CHCDRN Cc1csc([C@@H](C)N[C@@H](C)c2c(O)cccc2F)n1 ZINC000886522541 1125684622 /nfs/dbraw/zinc/68/46/22/1125684622.db2.gz LXGBWLKJXKAQGM-VHSXEESVSA-N 0 0 280.368 3.708 20 10 CHCDRN COC[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886547473 1125688990 /nfs/dbraw/zinc/68/89/90/1125688990.db2.gz LYQJWJPEUIVLCE-SWLSCSKDSA-N 0 0 289.350 3.570 20 10 CHCDRN CCc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886561797 1125691876 /nfs/dbraw/zinc/69/18/76/1125691876.db2.gz JKODCZZBYJHLKW-NEPJUHHUSA-N 0 0 288.366 3.901 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1c([O-])cccc1F ZINC000886607370 1125696566 /nfs/dbraw/zinc/69/65/66/1125696566.db2.gz QLCDOXIKXVRLRJ-IUODEOHRSA-N 0 0 293.382 3.531 20 10 CHCDRN C[C@@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1c([O-])cccc1F ZINC000886607549 1125696850 /nfs/dbraw/zinc/69/68/50/1125696850.db2.gz UIYBLGOWIBWZBY-JHJVBQTASA-N 0 0 295.398 3.776 20 10 CHCDRN C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)c1c([O-])cccc1F ZINC000886646591 1125702279 /nfs/dbraw/zinc/70/22/79/1125702279.db2.gz NHUOMJUOWFNWKR-KCTSRDHCSA-N 0 0 293.382 3.530 20 10 CHCDRN COc1ccc(N(C)Cc2nc(C)c(C)o2)cc1Cl ZINC000121864811 1125780208 /nfs/dbraw/zinc/78/02/08/1125780208.db2.gz IGGGCECVOGEDIU-UHFFFAOYSA-N 0 0 280.755 3.590 20 10 CHCDRN CCCCC[C@@H](C)CC(=O)NCc1ccccc1O ZINC000743326079 1129519575 /nfs/dbraw/zinc/51/95/75/1129519575.db2.gz ASLGTLBNGJEJCW-CYBMUJFWSA-N 0 0 263.381 3.615 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(F)=C1CCC1 ZINC000819184899 1131235928 /nfs/dbraw/zinc/23/59/28/1131235928.db2.gz JSMBUFOARUNBBQ-UHFFFAOYSA-N 0 0 290.382 3.509 20 10 CHCDRN Fc1nccc(NCc2ccc(N3CCCC3)cc2)c1F ZINC001118769688 1131235912 /nfs/dbraw/zinc/23/59/12/1131235912.db2.gz FLYJKUNSMDEAMV-UHFFFAOYSA-N 0 0 289.329 3.572 20 10 CHCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CCCC1 ZINC001461568891 1129947411 /nfs/dbraw/zinc/94/74/11/1129947411.db2.gz UNCFONPDYKGIJI-VIFPVBQESA-N 0 0 271.763 3.853 20 10 CHCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000158760624 1126756181 /nfs/dbraw/zinc/75/61/81/1126756181.db2.gz FKDYGNVNXBMQPE-CYBMUJFWSA-N 0 0 277.364 3.760 20 10 CHCDRN CN(C)c1ccc(C[NH2+]Cc2cc(F)cc(Cl)c2)cc1 ZINC000160821858 1126775690 /nfs/dbraw/zinc/77/56/90/1126775690.db2.gz FJODGKIQPLMWFY-UHFFFAOYSA-N 0 0 292.785 3.835 20 10 CHCDRN Nc1ccc(Cc2noc([C@@H]3CC[C@@H]4C[C@@H]4CC3)n2)cc1 ZINC000904504256 1126854545 /nfs/dbraw/zinc/85/45/45/1126854545.db2.gz OOLFBKGKUIFWCW-ZSOGYDGISA-N 0 0 283.375 3.536 20 10 CHCDRN CC(C)(C)c1cnc(S[C@@H]2CCCOC2)s1 ZINC000759718229 1130671221 /nfs/dbraw/zinc/67/12/21/1130671221.db2.gz KMPDWVKBFDHKPZ-SECBINFHSA-N 0 0 257.424 3.712 20 10 CHCDRN C[C@@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccccc1O ZINC000183660730 1126889355 /nfs/dbraw/zinc/88/93/55/1126889355.db2.gz VDXPUVUJSOKSFM-CJNGLKHVSA-N 0 0 299.370 3.733 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185387149 1126899935 /nfs/dbraw/zinc/89/99/35/1126899935.db2.gz APJDZECNEPHBAQ-BDAKNGLRSA-N 0 0 290.190 3.529 20 10 CHCDRN CCc1nc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])cs1 ZINC000185425333 1126899999 /nfs/dbraw/zinc/89/99/99/1126899999.db2.gz RSRSFUPJOHGERH-NXEZZACHSA-N 0 0 294.395 3.962 20 10 CHCDRN Cc1cc(O)c(CNc2nnc(C3CCCC3)o2)cc1C ZINC000905424996 1126901327 /nfs/dbraw/zinc/90/13/27/1126901327.db2.gz MNVUXVGATFLXNK-UHFFFAOYSA-N 0 0 287.363 3.662 20 10 CHCDRN COCCC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CCCC1 ZINC000185747494 1126902414 /nfs/dbraw/zinc/90/24/14/1126902414.db2.gz ZYMPOPBGOGNGBA-CYBMUJFWSA-N 0 0 295.398 3.779 20 10 CHCDRN C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1nccs1 ZINC000187916376 1126916710 /nfs/dbraw/zinc/91/67/10/1126916710.db2.gz QOQXQQIJRLTWIU-IUCAKERBSA-N 0 0 298.358 3.581 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCCc2occc21)c1ccc(F)c(F)c1[O-] ZINC000191200338 1126949337 /nfs/dbraw/zinc/94/93/37/1126949337.db2.gz WERQAOUAVYIBCC-RNCFNFMXSA-N 0 0 293.313 3.992 20 10 CHCDRN C[C@@H](CCCO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192949816 1126965052 /nfs/dbraw/zinc/96/50/52/1126965052.db2.gz CDZDJEMBHRJCLQ-IUCAKERBSA-N 0 0 292.206 3.511 20 10 CHCDRN [O-]c1ccc(Cl)c(Cl)c1C[NH+]1CCC(F)CC1 ZINC001237078760 1131046756 /nfs/dbraw/zinc/04/67/56/1131046756.db2.gz WOZFNKKWJRARLD-UHFFFAOYSA-N 0 0 278.154 3.633 20 10 CHCDRN C[C@@H]1CCSCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816591428 1131108063 /nfs/dbraw/zinc/10/80/63/1131108063.db2.gz DUMVEBXPVNMFTR-SECBINFHSA-N 0 0 289.803 3.512 20 10 CHCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C2(CC2)C1 ZINC001237623273 1131118227 /nfs/dbraw/zinc/11/82/27/1131118227.db2.gz KSWZLODHSBVGFI-VIFPVBQESA-N 0 0 269.747 3.559 20 10 CHCDRN CCOc1cccc(C[N@H+]([C@@H](C)C(C)C)C2CC2)c1O ZINC000156980328 1127201679 /nfs/dbraw/zinc/20/16/79/1127201679.db2.gz QAZMUKDGLJEXDO-ZDUSSCGKSA-N 0 0 277.408 3.800 20 10 CHCDRN CC[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000285899795 1127246351 /nfs/dbraw/zinc/24/63/51/1127246351.db2.gz BHCVFBZYYQBWLO-HOCLYGCPSA-N 0 0 295.398 3.921 20 10 CHCDRN CCC[NH+](CCC)Cc1cc(F)c(Cl)cc1[O-] ZINC001237946912 1131155765 /nfs/dbraw/zinc/15/57/65/1131155765.db2.gz OUFVLURDYPVVIE-UHFFFAOYSA-N 0 0 259.752 3.807 20 10 CHCDRN CC[C@@H]([NH2+]CCCCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000286861573 1127275081 /nfs/dbraw/zinc/27/50/81/1127275081.db2.gz BCPOQPFEXJIBHV-GFCCVEGCSA-N 0 0 292.206 3.512 20 10 CHCDRN COc1ccc2c(c1)CCCN2Cc1ncc(C2CC2)o1 ZINC000760809887 1127288302 /nfs/dbraw/zinc/28/83/02/1127288302.db2.gz VDCGMWGFHBZDRS-UHFFFAOYSA-N 0 0 284.359 3.513 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cccc(Cl)c1[O-] ZINC000287285883 1127299407 /nfs/dbraw/zinc/29/94/07/1127299407.db2.gz BSVSTOJAUBSGMD-IINYFYTJSA-N 0 0 293.798 3.581 20 10 CHCDRN CC[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cccc(Cl)c1[O-] ZINC000287306137 1127299975 /nfs/dbraw/zinc/29/99/75/1127299975.db2.gz CSNFLNWAGXNLSB-SMDDNHRTSA-N 0 0 299.842 3.883 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cccc(Cl)c1[O-] ZINC000287628745 1127311137 /nfs/dbraw/zinc/31/11/37/1127311137.db2.gz KFQPSDBZAMXZLX-TVQRCGJNSA-N 0 0 279.771 3.571 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cnn(CC)c1)c1cccc(Cl)c1[O-] ZINC000287664691 1127312091 /nfs/dbraw/zinc/31/20/91/1127312091.db2.gz LWPJNZMXDUJMFT-CQSZACIVSA-N 0 0 293.798 3.503 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCSC1)c1cccc(Cl)c1[O-] ZINC000287776933 1127313407 /nfs/dbraw/zinc/31/34/07/1127313407.db2.gz RXBQKKCQZLHQNI-CABZTGNLSA-N 0 0 271.813 3.592 20 10 CHCDRN CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000760908509 1127325765 /nfs/dbraw/zinc/32/57/65/1127325765.db2.gz VZRBDKQVUINIRJ-WCBMZHEXSA-N 0 0 279.277 3.913 20 10 CHCDRN CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000760908506 1127326242 /nfs/dbraw/zinc/32/62/42/1127326242.db2.gz VZRBDKQVUINIRJ-SCZZXKLOSA-N 0 0 279.277 3.913 20 10 CHCDRN CCCOc1ccccc1NCc1cc(F)ccc1O ZINC000226580819 1127411944 /nfs/dbraw/zinc/41/19/44/1127411944.db2.gz JTLULYFTWMZMJV-UHFFFAOYSA-N 0 0 275.323 3.932 20 10 CHCDRN CC[C@H]([NH2+]Cc1occc1C)c1ccc(F)cc1[O-] ZINC000293637075 1127509762 /nfs/dbraw/zinc/50/97/62/1127509762.db2.gz KNLGWYYDASUURT-ZDUSSCGKSA-N 0 0 263.312 3.674 20 10 CHCDRN COc1ccc(N(C)C[C@H]2C[C@@H]2c2ccccc2)cc1OC ZINC000761222109 1127548718 /nfs/dbraw/zinc/54/87/18/1127548718.db2.gz QOLAMITVMRFULI-NVXWUHKLSA-N 0 0 297.398 3.944 20 10 CHCDRN COc1ccc(N(C)C[C@@H]2C[C@H]2c2ccccc2)cc1OC ZINC000761222114 1127548491 /nfs/dbraw/zinc/54/84/91/1127548491.db2.gz QOLAMITVMRFULI-RDJZCZTQSA-N 0 0 297.398 3.944 20 10 CHCDRN COc1ccc(N(C)Cc2sccc2C)cc1OC ZINC000761223347 1127549412 /nfs/dbraw/zinc/54/94/12/1127549412.db2.gz ZYBZHEYVRVCTAK-UHFFFAOYSA-N 0 0 277.389 3.710 20 10 CHCDRN CC[N@H+](CCC1CC1)Cc1cccc(Cl)c1[O-] ZINC000761225790 1127549881 /nfs/dbraw/zinc/54/98/81/1127549881.db2.gz IHBQRWSPSYKCME-UHFFFAOYSA-N 0 0 253.773 3.668 20 10 CHCDRN CC(C)(C[NH2+]Cc1cccc(Cl)c1[O-])c1ccccn1 ZINC000294886173 1127606049 /nfs/dbraw/zinc/60/60/49/1127606049.db2.gz WARLWBPZYJQAEZ-UHFFFAOYSA-N 0 0 290.794 3.508 20 10 CHCDRN CC(C)c1noc(-c2ccc(-n3cccc3)c(F)c2)n1 ZINC000761341216 1127671431 /nfs/dbraw/zinc/67/14/31/1127671431.db2.gz ICUWTGKECWUYHU-UHFFFAOYSA-N 0 0 271.295 3.790 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)CCCCO)c1cccc(Cl)c1[O-] ZINC000296419310 1127671802 /nfs/dbraw/zinc/67/18/02/1127671802.db2.gz LGVAJLFECKXRBP-RISCZKNCSA-N 0 0 285.815 3.637 20 10 CHCDRN Cc1cc(N[C@@H]2CCc3cccc(O)c32)ccc1N(C)C ZINC000296618216 1127678666 /nfs/dbraw/zinc/67/86/66/1127678666.db2.gz YZQGKMFDGVVQNW-OAHLLOKOSA-N 0 0 282.387 3.866 20 10 CHCDRN C[C@H](CCCc1ccccc1)C(=O)NCc1ccc(N)cc1 ZINC000297236061 1127691798 /nfs/dbraw/zinc/69/17/98/1127691798.db2.gz PJVMCCLXNFORPY-OAHLLOKOSA-N 0 0 296.414 3.544 20 10 CHCDRN CC[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298339352 1127720059 /nfs/dbraw/zinc/72/00/59/1127720059.db2.gz IZQCRPXZPROSMU-CQSZACIVSA-N 0 0 276.424 3.536 20 10 CHCDRN Cc1cc(CSc2ncc(-c3ccccc3)n2C)on1 ZINC000008252396 1127745804 /nfs/dbraw/zinc/74/58/04/1127745804.db2.gz MRDYHKPCEYNLCH-UHFFFAOYSA-N 0 0 285.372 3.676 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000230407938 1127751958 /nfs/dbraw/zinc/75/19/58/1127751958.db2.gz IXDZFOJUWGSKKR-UTUOFQBUSA-N 0 0 251.345 3.618 20 10 CHCDRN CC(C)[C@H]([NH2+]Cc1cccc(Br)c1[O-])C1CC1 ZINC000324022644 1127942322 /nfs/dbraw/zinc/94/23/22/1127942322.db2.gz RXODKKLXLNTCIP-ZDUSSCGKSA-N 0 0 298.224 3.679 20 10 CHCDRN CCC[C@H](C)[NH2+][C@H](C)c1cc(Br)ccc1O ZINC000134898711 1128048032 /nfs/dbraw/zinc/04/80/32/1128048032.db2.gz YCDXDKQIPCMSDG-VHSXEESVSA-N 0 0 286.213 3.994 20 10 CHCDRN CC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000134906784 1128091138 /nfs/dbraw/zinc/09/11/38/1128091138.db2.gz QTFVCXCVMMXFME-SFYZADRCSA-N 0 0 290.176 3.743 20 10 CHCDRN C[C@H]1CCC[C@@H]([N@H+](C)Cc2c(O)ccc3ccncc32)C1 ZINC000914785245 1128244414 /nfs/dbraw/zinc/24/44/14/1128244414.db2.gz VPPCSRGCGZZAQF-DZGCQCFKSA-N 0 0 284.403 3.951 20 10 CHCDRN C[C@H](Nc1cccc2c1CCO2)c1ccccc1O ZINC000690247381 1128256774 /nfs/dbraw/zinc/25/67/74/1128256774.db2.gz LZIMWNRAWRZGJX-NSHDSACASA-N 0 0 255.317 3.500 20 10 CHCDRN Cc1cc(F)c(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c(F)c1 ZINC000927095309 1128216291 /nfs/dbraw/zinc/21/62/91/1128216291.db2.gz ZSRWKOHQTVYPKG-SNVBAGLBSA-N 0 0 295.304 3.969 20 10 CHCDRN C[C@H]([NH2+]C[C@]12C[C@H]1CCC2)c1cc(F)cc(F)c1[O-] ZINC000927120958 1128219889 /nfs/dbraw/zinc/21/98/89/1128219889.db2.gz XQEBXWKECVFCBM-WMFXKJRFSA-N 0 0 267.319 3.511 20 10 CHCDRN Cc1ccc2c(c1)CCCN2C(=O)/C=C/c1ccc(C)nc1 ZINC000777841865 1128291262 /nfs/dbraw/zinc/29/12/62/1128291262.db2.gz NPYZVBWFNXUQQW-CSKARUKUSA-N 0 0 292.382 3.691 20 10 CHCDRN Cc1ccc(/C=C/C(=O)N2CCCc3cc(F)ccc32)cn1 ZINC000777848613 1128292094 /nfs/dbraw/zinc/29/20/94/1128292094.db2.gz BRXLEKHOJMFETA-RMKNXTFCSA-N 0 0 296.345 3.522 20 10 CHCDRN Cc1cc(C(=O)NC[C@H]2C[C@H]2C)c(C)n1-c1ccccc1C ZINC000915290252 1128301639 /nfs/dbraw/zinc/30/16/39/1128301639.db2.gz 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/nfs/dbraw/zinc/12/90/88/1118129088.db2.gz AIFLETCSKHQRJS-UHFFFAOYSA-N 0 0 295.867 3.911 20 10 CHCDRN COC(=O)c1ccc(CSc2ncc(Cl)s2)cc1 ZINC000764999214 1118129522 /nfs/dbraw/zinc/12/95/22/1118129522.db2.gz AZUKIFDANPXKDI-UHFFFAOYSA-N 0 0 299.804 3.875 20 10 CHCDRN CCc1cccc(CN(C)c2ccc(OC)c(OC)c2)c1 ZINC001167261945 1118131138 /nfs/dbraw/zinc/13/11/38/1118131138.db2.gz QKYALUKAVVBWTL-UHFFFAOYSA-N 0 0 285.387 3.903 20 10 CHCDRN Oc1ccc(F)cc1CNc1cccc2ncccc21 ZINC000083497089 1118156676 /nfs/dbraw/zinc/15/66/76/1118156676.db2.gz IZHWJXKZFIZORK-UHFFFAOYSA-N 0 0 268.291 3.692 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1ccc(F)cc1[O-] ZINC000842892328 1118159394 /nfs/dbraw/zinc/15/93/94/1118159394.db2.gz AYRJCWUZAQCUCA-JOYOIKCWSA-N 0 0 275.314 3.863 20 10 CHCDRN O=C(/C=C\c1cccnc1)N(CC1CC1)c1ccccc1 ZINC000255066749 1118174091 /nfs/dbraw/zinc/17/40/91/1118174091.db2.gz AJCNPVFKNQYDPK-KHPPLWFESA-N 0 0 278.355 3.538 20 10 CHCDRN CCCc1ccc(C(=O)NCc2cc(C)ccc2O)s1 ZINC001167293491 1118184749 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1118539934 /nfs/dbraw/zinc/53/99/34/1118539934.db2.gz GOISQZGBVZGLJW-MDZDMXLPSA-N 0 0 280.371 3.765 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ccnc(C)c1)c1cccc(Cl)c1[O-] ZINC000834860942 1118590497 /nfs/dbraw/zinc/59/04/97/1118590497.db2.gz VULNJNVKYKKGSF-OAHLLOKOSA-N 0 0 290.794 3.990 20 10 CHCDRN CC(C)[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000780495423 1118712442 /nfs/dbraw/zinc/71/24/42/1118712442.db2.gz DTYNOFBEWKQLBQ-HNNXBMFYSA-N 0 0 284.403 3.808 20 10 CHCDRN Cc1cccc(C[N@@H+](C)Cc2ccc(Cl)cc2O)c1 ZINC001140461388 1118719731 /nfs/dbraw/zinc/71/97/31/1118719731.db2.gz KLFAMZDTSUWOCR-UHFFFAOYSA-N 0 0 275.779 3.986 20 10 CHCDRN COc1ccc(N(C)Cc2cccs2)cc1F ZINC000180774229 1128808153 /nfs/dbraw/zinc/80/81/53/1128808153.db2.gz AFNFSJUMSHAIHC-UHFFFAOYSA-N 0 0 251.326 3.532 20 10 CHCDRN Cc1cccc2c(CC[NH2+]Cc3cc(F)ccc3O)c[nH]c21 ZINC000180782689 1128811387 /nfs/dbraw/zinc/81/13/87/1128811387.db2.gz VBZQBPMFMNEVEY-UHFFFAOYSA-N 0 0 298.361 3.653 20 10 CHCDRN COc1ccc(CNc2ccc(C)cc2C)c(O)c1OC ZINC000892304673 1119214930 /nfs/dbraw/zinc/21/49/30/1119214930.db2.gz DWCILFPFXNEQKD-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN CC(C)C[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000307772400 1119361970 /nfs/dbraw/zinc/36/19/70/1119361970.db2.gz IEFFEDOYDVIRDK-GFCCVEGCSA-N 0 0 267.800 3.914 20 10 CHCDRN C[C@@H](Nc1cnn([C@H](C)C2CC2)c1)c1ccc(F)cc1O ZINC000187629563 1119398197 /nfs/dbraw/zinc/39/81/97/1119398197.db2.gz YJMHWGIGLZTVSZ-GHMZBOCLSA-N 0 0 289.354 3.872 20 10 CHCDRN CC(C)(C)[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708401469 1119437465 /nfs/dbraw/zinc/43/74/65/1119437465.db2.gz TWFVUBLVWHQVNF-LLVKDONJSA-N 0 0 269.335 3.538 20 10 CHCDRN CCc1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC000708482772 1119491860 /nfs/dbraw/zinc/49/18/60/1119491860.db2.gz YALKLRCJRPBBEJ-UHFFFAOYSA-N 0 0 263.287 3.845 20 10 CHCDRN CC(C)OC(=O)O[C@@H](C)Sc1ncc(Cl)s1 ZINC000850000461 1119602190 /nfs/dbraw/zinc/60/21/90/1119602190.db2.gz VVCBJWFKROIEOD-ZCFIWIBFSA-N 0 0 281.786 3.796 20 10 CHCDRN Cc1ccc(C(=O)N(C)C2CCCCCCC2)c(O)c1O ZINC000179466004 1119738355 /nfs/dbraw/zinc/73/83/55/1119738355.db2.gz SZCLLFIIXDNFQC-UHFFFAOYSA-N 0 0 291.391 3.591 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000694298291 1119837275 /nfs/dbraw/zinc/83/72/75/1119837275.db2.gz JEYFAEBAXRVGMM-RLCGTCKNSA-N 0 0 286.202 3.977 20 10 CHCDRN C[C@@H](NCc1cc[nH]n1)c1ccc(N2CCCCCC2)cc1 ZINC000177956608 1119890508 /nfs/dbraw/zinc/89/05/08/1119890508.db2.gz QSMPDMFPGAEKKM-OAHLLOKOSA-N 0 0 298.434 3.641 20 10 CHCDRN CCOc1cccc(CNc2cccc3ccn(C)c32)c1O ZINC000190907135 1128890882 /nfs/dbraw/zinc/89/08/82/1128890882.db2.gz KSCWVWYAHRPCDU-UHFFFAOYSA-N 0 0 296.370 3.895 20 10 CHCDRN CC(C)c1nn(C)cc1NCc1cc(Cl)ccc1O ZINC000311952324 1120163722 /nfs/dbraw/zinc/16/37/22/1120163722.db2.gz NAYUGLIJPGOBPA-UHFFFAOYSA-N 0 0 279.771 3.515 20 10 CHCDRN Cc1cnc([C@@H](C)NCc2ccc3c(c2)CCCO3)s1 ZINC000921817534 1120226127 /nfs/dbraw/zinc/22/61/27/1120226127.db2.gz XXZVAYHUONVCJH-GFCCVEGCSA-N 0 0 288.416 3.627 20 10 CHCDRN CC1(Cc2nc(Cc3ccc(N)cc3)no2)CCCCC1 ZINC000843159027 1120266104 /nfs/dbraw/zinc/26/61/04/1120266104.db2.gz LDHVMSFJKXORQL-UHFFFAOYSA-N 0 0 285.391 3.756 20 10 CHCDRN CCN(CC)c1ccc(CNc2cncc(F)c2)cc1 ZINC000312345312 1120386364 /nfs/dbraw/zinc/38/63/64/1120386364.db2.gz DPBKFXRIMFOUDZ-UHFFFAOYSA-N 0 0 273.355 3.679 20 10 CHCDRN CCN(C(=O)/C=C/c1scnc1C)c1ccc(F)cc1 ZINC000186005130 1120388762 /nfs/dbraw/zinc/38/87/62/1120388762.db2.gz KNHDKAFFLWMCRB-CMDGGOBGSA-N 0 0 290.363 3.657 20 10 CHCDRN Cc1ccc([C@@H](C)Nc2cc3c(cc2C)OCO3)c(O)c1 ZINC000186517291 1120463110 /nfs/dbraw/zinc/46/31/10/1120463110.db2.gz AYXKXKPRERSPJM-GFCCVEGCSA-N 0 0 285.343 3.911 20 10 CHCDRN COc1cccc(CNc2ccc(C(C)C)nc2)c1O ZINC000922585097 1120557431 /nfs/dbraw/zinc/55/74/31/1120557431.db2.gz CPDNCSHOKKOCPI-UHFFFAOYSA-N 0 0 272.348 3.531 20 10 CHCDRN Cc1cccc2c1N(C(=O)/C=C/c1ccc(Cl)nc1)CC2 ZINC000759839607 1120573292 /nfs/dbraw/zinc/57/32/92/1120573292.db2.gz BGHOGMCWRKTFHF-SOFGYWHQSA-N 0 0 298.773 3.646 20 10 CHCDRN C[C@@H]([NH2+][C@H](C)C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756597092 1120577993 /nfs/dbraw/zinc/57/79/93/1120577993.db2.gz KFVFQDNOICCQJM-VXGBXAGGSA-N 0 0 292.379 3.920 20 10 CHCDRN C[C@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCS1 ZINC000922836365 1120607590 /nfs/dbraw/zinc/60/75/90/1120607590.db2.gz JFPBDWLJZQFEIA-DTWKUNHWSA-N 0 0 289.803 3.558 20 10 CHCDRN CC[C@H]([NH2+]C1CCC(O)(CC)CC1)c1ccc(F)cc1[O-] ZINC000796796226 1120735880 /nfs/dbraw/zinc/73/58/80/1120735880.db2.gz CGAHWINHOZTPAT-GULBITTBSA-N 0 0 295.398 3.656 20 10 CHCDRN CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756733955 1120774722 /nfs/dbraw/zinc/77/47/22/1120774722.db2.gz UFSDBKVYLJLNAY-TUAOUCFPSA-N 0 0 280.368 3.776 20 10 CHCDRN Cc1ccc(C(=O)Nc2cccc(C(F)F)c2)c(O)c1O ZINC000182288974 1128953789 /nfs/dbraw/zinc/95/37/89/1128953789.db2.gz XEUNUPPSQOVQAW-UHFFFAOYSA-N 0 0 293.269 3.596 20 10 CHCDRN Cc1oc2ncnc(NCc3ccc(N(C)C)cc3)c2c1C ZINC000162908425 1120940180 /nfs/dbraw/zinc/94/01/80/1120940180.db2.gz SILIDEZXENXDKD-UHFFFAOYSA-N 0 0 296.374 3.518 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1C2CCC1CC2 ZINC000398924962 1120955036 /nfs/dbraw/zinc/95/50/36/1120955036.db2.gz WCIYVAHNOGETJT-UHFFFAOYSA-N 0 0 272.175 3.826 20 10 CHCDRN Cc1ccccc1CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000094183083 1120979906 /nfs/dbraw/zinc/97/99/06/1120979906.db2.gz ZEHSJEIVRAUNAU-ZDUSSCGKSA-N 0 0 273.351 3.733 20 10 CHCDRN Cc1ccc(O)c(CNc2cnn(C3CCCC3)c2)c1 ZINC000722372687 1121006960 /nfs/dbraw/zinc/00/69/60/1121006960.db2.gz PHRZOLXKIMCJFY-UHFFFAOYSA-N 0 0 271.364 3.624 20 10 CHCDRN C=CNc1ccc(OCCCOc2ccc(N)cc2)cc1 ZINC001174787981 1121029850 /nfs/dbraw/zinc/02/98/50/1121029850.db2.gz SYZAQSHTJHQHQN-UHFFFAOYSA-N 0 0 284.359 3.672 20 10 CHCDRN Cc1ccc2c(c1)C(=O)N(C)[C@H](c1cc(C)c(C)cc1O)N2 ZINC000078764057 1128961230 /nfs/dbraw/zinc/96/12/30/1128961230.db2.gz JEHGITYYTVGOMZ-QGZVFWFLSA-N 0 0 296.370 3.514 20 10 CHCDRN CC(C)Cc1ccc(C(=O)N(C)Cc2ccccc2O)cc1 ZINC000261373411 1121117751 /nfs/dbraw/zinc/11/77/51/1121117751.db2.gz FDXYTSDAJSPBPQ-UHFFFAOYSA-N 0 0 297.398 3.863 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)CC[C@@H](C)SC ZINC000773451948 1121170862 /nfs/dbraw/zinc/17/08/62/1121170862.db2.gz IEHHYGMKDDDJJM-CYBMUJFWSA-N 0 0 295.448 3.663 20 10 CHCDRN CCOc1ccc(F)c(F)c1N(C)c1ccc(N)cc1 ZINC001175282856 1121252472 /nfs/dbraw/zinc/25/24/72/1121252472.db2.gz WAVAWDCJZOTODR-UHFFFAOYSA-N 0 0 278.302 3.714 20 10 CHCDRN CC(C)OC1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000703793318 1121302666 /nfs/dbraw/zinc/30/26/66/1121302666.db2.gz AMODUJVAZBVBFZ-UHFFFAOYSA-N 0 0 297.826 3.871 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2cncc(F)c2)cc1 ZINC000763544395 1128981362 /nfs/dbraw/zinc/98/13/62/1128981362.db2.gz MOGUPUZABDOXRB-UHFFFAOYSA-N 0 0 274.339 3.644 20 10 CHCDRN COc1ccc(N(C)CCC[C@H]2CCOC2)cc1Cl ZINC000827995496 1121407524 /nfs/dbraw/zinc/40/75/24/1121407524.db2.gz FFBBAFKFPJJLAH-LBPRGKRZSA-N 0 0 283.799 3.602 20 10 CHCDRN CC[N@H+](Cc1ccc(F)cc1)Cc1c([O-])cccc1F ZINC001137838533 1121417610 /nfs/dbraw/zinc/41/76/10/1121417610.db2.gz CBYYONGEMRKXAL-UHFFFAOYSA-N 0 0 277.314 3.693 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CCCC12CC2)c1ccc(F)cc1[O-] ZINC000706225414 1121421565 /nfs/dbraw/zinc/42/15/65/1121421565.db2.gz IWFINHNGSNCMRB-VXGBXAGGSA-N 0 0 263.356 3.762 20 10 CHCDRN CCc1cccc(CNc2ccc(C)cc2OC)c1O ZINC000709425446 1121471126 /nfs/dbraw/zinc/47/11/26/1121471126.db2.gz BQNLLZNOJHRPJK-UHFFFAOYSA-N 0 0 271.360 3.884 20 10 CHCDRN CCCn1cc(N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000182586785 1128987070 /nfs/dbraw/zinc/98/70/70/1128987070.db2.gz KYTOZAUUOLNMHW-ZDUSSCGKSA-N 0 0 272.396 3.532 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(C)(C)C1CC1 ZINC000509411450 1121579848 /nfs/dbraw/zinc/57/98/48/1121579848.db2.gz RHYCYEOGRWKHFK-UHFFFAOYSA-N 0 0 284.403 3.539 20 10 CHCDRN CCN(C(=O)/C=C\c1cncc(C)c1)c1cccc(C)c1F ZINC001288104967 1121617933 /nfs/dbraw/zinc/61/79/33/1121617933.db2.gz UKYNHWGMYDIMAG-HJWRWDBZSA-N 0 0 298.361 3.904 20 10 CHCDRN CCCC[C@H]1CCC[C@@H]1NC(=O)NCc1ccccc1O ZINC000727941464 1121756537 /nfs/dbraw/zinc/75/65/37/1121756537.db2.gz WRHHLGWWHVNWLW-ZFWWWQNUSA-N 0 0 290.407 3.550 20 10 CHCDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1cc(C)cc(C)c1 ZINC000729313730 1121775558 /nfs/dbraw/zinc/77/55/58/1121775558.db2.gz YVZAQRUVSSLARS-AATRIKPKSA-N 0 0 298.361 3.904 20 10 CHCDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1cc(C)ccc1C ZINC000729328875 1121776080 /nfs/dbraw/zinc/77/60/80/1121776080.db2.gz XCTFZCBKZPIEOP-BQYQJAHWSA-N 0 0 298.361 3.904 20 10 CHCDRN C[C@@H]1CC[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC001178624223 1121799618 /nfs/dbraw/zinc/79/96/18/1121799618.db2.gz KFDSAQFZNAHIBH-NXEZZACHSA-N 0 0 271.763 3.711 20 10 CHCDRN C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)C[C@H](C)O1 ZINC001204233572 1121831105 /nfs/dbraw/zinc/83/11/05/1121831105.db2.gz RPVVQDIGGITWEL-GASCZTMLSA-N 0 0 298.430 3.515 20 10 CHCDRN CCCOc1ccc(NC(=O)C2=CC(=O)CS2)c(C)c1 ZINC000731870273 1121893016 /nfs/dbraw/zinc/89/30/16/1121893016.db2.gz KIOKFOGQPGVVDC-UHFFFAOYSA-N 0 0 291.372 3.803 20 10 CHCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)c1cc(F)ccc1F ZINC000731909153 1121894381 /nfs/dbraw/zinc/89/43/81/1121894381.db2.gz BHLFBKFXIRWZSE-SSDOTTSWSA-N 0 0 284.283 3.650 20 10 CHCDRN CC(C)c1cc(NCc2ccc(N3CCCC3)cc2)ncn1 ZINC000731968448 1121898605 /nfs/dbraw/zinc/89/86/05/1121898605.db2.gz AKOQAJRKUJKIGH-UHFFFAOYSA-N 0 0 296.418 3.812 20 10 CHCDRN CCCCOc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000732275774 1121913886 /nfs/dbraw/zinc/91/38/86/1121913886.db2.gz BHNYSSYCTXUCKC-UHFFFAOYSA-N 0 0 291.372 3.885 20 10 CHCDRN CSCc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000732290825 1121916089 /nfs/dbraw/zinc/91/60/89/1121916089.db2.gz DFRYHEJASZGUER-UHFFFAOYSA-N 0 0 279.386 3.569 20 10 CHCDRN Cc1ccccc1[C@@H](C)N(C)C(=O)C1=CC(=O)CS1 ZINC000732269283 1121916447 /nfs/dbraw/zinc/91/64/47/1121916447.db2.gz PJROYYQXCVMJRZ-LLVKDONJSA-N 0 0 275.373 3.595 20 10 CHCDRN C[C@H](c1c(F)cccc1F)N(C)C(=O)C1=CC(=O)CS1 ZINC000732268708 1121916523 /nfs/dbraw/zinc/91/65/23/1121916523.db2.gz MUZRLYBZXUGOHQ-MRVPVSSYSA-N 0 0 297.326 3.565 20 10 CHCDRN CC[N@H+](Cc1ccccc1F)Cc1ccc(F)c(F)c1[O-] ZINC001179914344 1121930761 /nfs/dbraw/zinc/93/07/61/1121930761.db2.gz UTLPKIUJUDPQLF-UHFFFAOYSA-N 0 0 295.304 3.832 20 10 CHCDRN Cc1cc(O)c(CN2CCc3ccccc32)cc1Cl ZINC001180326609 1121981612 /nfs/dbraw/zinc/98/16/12/1121981612.db2.gz MSEXVWRRXLOPRB-UHFFFAOYSA-N 0 0 273.763 3.917 20 10 CHCDRN CN(Cc1ccc(C2CC2)cc1)c1ccc2c(c1)OCO2 ZINC001180751582 1122012392 /nfs/dbraw/zinc/01/23/92/1122012392.db2.gz MHARWCRPPNCIAB-UHFFFAOYSA-N 0 0 281.355 3.929 20 10 CHCDRN C[C@H]1CC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001181399438 1122053734 /nfs/dbraw/zinc/05/37/34/1122053734.db2.gz IPYVNCWOWUEHSM-VHSXEESVSA-N 0 0 271.763 3.711 20 10 CHCDRN Oc1cc(F)c(F)cc1CNc1cccc(C2CC2)n1 ZINC001181932023 1122098280 /nfs/dbraw/zinc/09/82/80/1122098280.db2.gz APDHXDCDFNLRDS-UHFFFAOYSA-N 0 0 276.286 3.555 20 10 CHCDRN CC1(C)C[N@H+](Cc2ccc(Cl)cc2O)[C@H]1C1CC1 ZINC001182183879 1122116800 /nfs/dbraw/zinc/11/68/00/1122116800.db2.gz KIROCDINYCGHDI-AWEZNQCLSA-N 0 0 265.784 3.666 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1cc(Cl)c(Cl)cc1[O-] ZINC000774355521 1122160490 /nfs/dbraw/zinc/16/04/90/1122160490.db2.gz TYZWQLPWYBDPQQ-XHNCKOQMSA-N 0 0 292.206 3.509 20 10 CHCDRN CCc1cccc(CNc2ccc3c(c2)COC(=O)N3)c1O ZINC001182901292 1122194629 /nfs/dbraw/zinc/19/46/29/1122194629.db2.gz ANVLRZLMKLFGFA-UHFFFAOYSA-N 0 0 298.342 3.629 20 10 CHCDRN CCOc1cccc(NCc2cc(C(C)C)ccc2O)n1 ZINC001182893075 1122195146 /nfs/dbraw/zinc/19/51/46/1122195146.db2.gz ZMJHVIDKCFRITO-UHFFFAOYSA-N 0 0 286.375 3.921 20 10 CHCDRN CC(C)Cn1cc(N[C@@H](C)c2cc(F)ccc2O)cn1 ZINC000273493008 1122235953 /nfs/dbraw/zinc/23/59/53/1122235953.db2.gz OOVBWLBXOYBYJY-NSHDSACASA-N 0 0 277.343 3.557 20 10 CHCDRN C[C@H]([NH2+]C1(c2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000273527183 1122238071 /nfs/dbraw/zinc/23/80/71/1122238071.db2.gz VORDSUMCVOJNIF-LBPRGKRZSA-N 0 0 271.335 3.871 20 10 CHCDRN Cc1ccc(O)c([C@@H](C)Nc2cnn(CC(C)C)c2)c1 ZINC000273530943 1122238095 /nfs/dbraw/zinc/23/80/95/1122238095.db2.gz WIJGWGIEDGBSNA-CYBMUJFWSA-N 0 0 273.380 3.726 20 10 CHCDRN CO[C@H](C)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273549121 1122239181 /nfs/dbraw/zinc/23/91/81/1122239181.db2.gz FPEGMANCNDBEHB-RKDXNWHRSA-N 0 0 292.206 3.775 20 10 CHCDRN Oc1cc(Cl)ccc1CNc1cncc(Cl)c1 ZINC001183832205 1122241122 /nfs/dbraw/zinc/24/11/22/1122241122.db2.gz IGFLDAYMVQVJFV-UHFFFAOYSA-N 0 0 269.131 3.706 20 10 CHCDRN Cc1c(Cl)cccc1NC(=O)Nc1cccc(O)c1O ZINC001184679683 1122294047 /nfs/dbraw/zinc/29/40/47/1122294047.db2.gz BXWRHWSSUSBXSW-UHFFFAOYSA-N 0 0 292.722 3.704 20 10 CHCDRN CCn1nccc1N(c1ccccc1)c1ccc(N)cc1 ZINC001205318092 1122300748 /nfs/dbraw/zinc/30/07/48/1122300748.db2.gz WLNASDAESGBQGR-UHFFFAOYSA-N 0 0 278.359 3.955 20 10 CHCDRN CCCN(CC1CCCCC1)C(=O)c1cccc(O)c1O ZINC000192989262 1129050224 /nfs/dbraw/zinc/05/02/24/1129050224.db2.gz FCRZRMGHMLNTFV-UHFFFAOYSA-N 0 0 291.391 3.530 20 10 CHCDRN Cc1cc(NCc2cc(C)ccc2O)c([N+](=O)[O-])s1 ZINC001187091794 1122421045 /nfs/dbraw/zinc/42/10/45/1122421045.db2.gz RQXGVMBUSCDEKV-UHFFFAOYSA-N 0 0 278.333 3.591 20 10 CHCDRN Oc1cccc2c1CN(c1nc(Cl)nc3ccccc31)C2 ZINC001187404576 1122428196 /nfs/dbraw/zinc/42/81/96/1122428196.db2.gz LASFRAZSRYJHTH-UHFFFAOYSA-N 0 0 297.745 3.509 20 10 CHCDRN Fc1cc(CSc2nccs2)cnc1Cl ZINC001188660684 1122471314 /nfs/dbraw/zinc/47/13/14/1122471314.db2.gz RVMKGAUHGYVJJY-UHFFFAOYSA-N 0 0 260.746 3.623 20 10 CHCDRN Cc1cccc(NC(=O)CSc2ncc(Cl)s2)c1 ZINC001189831313 1122516852 /nfs/dbraw/zinc/51/68/52/1122516852.db2.gz GWPGBCXEYOWYDY-UHFFFAOYSA-N 0 0 298.820 3.836 20 10 CHCDRN Cc1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775406788 1122552696 /nfs/dbraw/zinc/55/26/96/1122552696.db2.gz VPGHUGCIXBUAFB-AWEZNQCLSA-N 0 0 297.402 3.944 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)c1cccc(Cl)c1[O-] ZINC000287540939 1122579562 /nfs/dbraw/zinc/57/95/62/1122579562.db2.gz FBLVRJXZFDASCV-OUJBWJOFSA-N 0 0 271.788 3.510 20 10 CHCDRN CCN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC001191816657 1122614565 /nfs/dbraw/zinc/61/45/65/1122614565.db2.gz ONNDZKZRCNNRSS-CTYIDZIISA-N 0 0 290.407 3.502 20 10 CHCDRN CCc1nn(C)cc1N[C@@H](CC)c1cc(Cl)ccc1O ZINC000775538864 1122651823 /nfs/dbraw/zinc/65/18/23/1122651823.db2.gz AFVHMQOEAITHIW-LBPRGKRZSA-N 0 0 293.798 3.905 20 10 CHCDRN CC(C)CCC[C@@H](C)NC(=O)c1ccc(O)c(O)c1Cl ZINC001193236773 1122682318 /nfs/dbraw/zinc/68/23/18/1122682318.db2.gz QKTTYMZAYMFRAQ-SNVBAGLBSA-N 0 0 299.798 3.696 20 10 CHCDRN CC(C)CCC[C@@H](C)NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193626218 1122702154 /nfs/dbraw/zinc/70/21/54/1122702154.db2.gz SJPIJDMAYORQQJ-SNVBAGLBSA-N 0 0 299.798 3.696 20 10 CHCDRN CCCCCCOC(=O)NCc1ccc(N(C)C)cc1 ZINC001194204114 1122757828 /nfs/dbraw/zinc/75/78/28/1122757828.db2.gz RBHYWGPJDKNIOX-UHFFFAOYSA-N 0 0 278.396 3.559 20 10 CHCDRN CCN(C)c1ccc([C@@H](C)Nc2ccc(OC)nc2)cc1 ZINC000775620443 1122822145 /nfs/dbraw/zinc/82/21/45/1122822145.db2.gz YYVZHHDFWNCATL-CYBMUJFWSA-N 0 0 285.391 3.719 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000775628931 1122829280 /nfs/dbraw/zinc/82/92/80/1122829280.db2.gz BSCYVFBLUWFBEW-AWEZNQCLSA-N 0 0 294.757 3.850 20 10 CHCDRN CC[C@@H](C)OC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001195110993 1122843077 /nfs/dbraw/zinc/84/30/77/1122843077.db2.gz CLPQWGKOAXTXTL-CYBMUJFWSA-N 0 0 278.396 3.510 20 10 CHCDRN C[N@H+](Cc1cccs1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775642601 1122852564 /nfs/dbraw/zinc/85/25/64/1122852564.db2.gz MJYVCDITLHEWHS-UHFFFAOYSA-N 0 0 285.771 3.878 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000775650348 1122865518 /nfs/dbraw/zinc/86/55/18/1122865518.db2.gz AYABOOVARCXEQB-OAHLLOKOSA-N 0 0 288.778 3.778 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000775662943 1122874078 /nfs/dbraw/zinc/87/40/78/1122874078.db2.gz XASOPRPBILTNHY-HZMBPMFUSA-N 0 0 283.774 3.949 20 10 CHCDRN CC[C@@H](c1ccncc1)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894783027 1122906263 /nfs/dbraw/zinc/90/62/63/1122906263.db2.gz PHDXFLNEOGOGBY-HNNXBMFYSA-N 0 0 292.329 3.649 20 10 CHCDRN CC1(C)C[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCS1 ZINC000775708558 1122918188 /nfs/dbraw/zinc/91/81/88/1122918188.db2.gz MWTZACAJTZAKQI-UHFFFAOYSA-N 0 0 289.803 3.512 20 10 CHCDRN CCO[C@@H]1C[C@H]([N@H+](C)Cc2cccc(Cl)c2[O-])C1(C)C ZINC000775716631 1122920962 /nfs/dbraw/zinc/92/09/62/1122920962.db2.gz YPVJXDSHOKZLFD-UONOGXRCSA-N 0 0 297.826 3.681 20 10 CHCDRN Cc1cc(Cl)cc(CN(CC(F)F)C(C)C)c1O ZINC000775739424 1122929857 /nfs/dbraw/zinc/92/98/57/1122929857.db2.gz DJNFFNWOSYRJJG-UHFFFAOYSA-N 0 0 277.742 3.830 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cc(F)cc(F)c1 ZINC000775901682 1123013888 /nfs/dbraw/zinc/01/38/88/1123013888.db2.gz OAINZGZXRMMHGN-UHFFFAOYSA-N 0 0 283.705 3.614 20 10 CHCDRN O=C(c1ccccn1)c1cc(Cl)ccc1Nc1cnoc1 ZINC001203245209 1123023743 /nfs/dbraw/zinc/02/37/43/1123023743.db2.gz NQSSYSWGRGHKOQ-UHFFFAOYSA-N 0 0 299.717 3.698 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCc2occc21 ZINC000775975581 1123029807 /nfs/dbraw/zinc/02/98/07/1123029807.db2.gz GYZJDUNNHJVSII-ZDUSSCGKSA-N 0 0 295.741 3.945 20 10 CHCDRN CC(C)(O)C=CNc1ccccc1C(=O)c1ccc(F)cc1 ZINC001203217441 1123068329 /nfs/dbraw/zinc/06/83/29/1123068329.db2.gz PDIAQBDQPYHBJF-VAWYXSNFSA-N 0 0 299.345 3.753 20 10 CHCDRN Nc1ccc(N(Cc2ccccc2)c2ccc(N)nc2)cc1 ZINC001201292181 1123084445 /nfs/dbraw/zinc/08/44/45/1123084445.db2.gz KXYHKFLZNZUPGZ-UHFFFAOYSA-N 0 0 290.370 3.584 20 10 CHCDRN CC(C)Nc1ccc(Nc2cc(N)ccc2F)cc1 ZINC001201498158 1123111162 /nfs/dbraw/zinc/11/11/62/1123111162.db2.gz UNIPGAMJNKYAMP-UHFFFAOYSA-N 0 0 259.328 3.972 20 10 CHCDRN CC(C)Nc1ccc(Nc2c(F)cccc2CO)cc1 ZINC001201498884 1123111237 /nfs/dbraw/zinc/11/12/37/1123111237.db2.gz FVHAINDBPOVTJJ-UHFFFAOYSA-N 0 0 274.339 3.882 20 10 CHCDRN Cc1ccc(C(N)=O)c(Nc2ccc(NC(C)C)cc2)c1 ZINC001201497620 1123111417 /nfs/dbraw/zinc/11/14/17/1123111417.db2.gz JVCCJCAQKBULBD-UHFFFAOYSA-N 0 0 283.375 3.658 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccccc2-n2cncn2)cc1 ZINC001201500312 1123112166 /nfs/dbraw/zinc/11/21/66/1123112166.db2.gz ZCXGYOVGLLDGKK-UHFFFAOYSA-N 0 0 293.374 3.831 20 10 CHCDRN CC(C)Nc1ccc(Nc2cccc3c2C(=O)OC3)cc1 ZINC001201500258 1123112553 /nfs/dbraw/zinc/11/25/53/1123112553.db2.gz WTFCUGLHMUFDJE-UHFFFAOYSA-N 0 0 282.343 3.921 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc(CO)c(F)c2)cc1 ZINC001201506251 1123113057 /nfs/dbraw/zinc/11/30/57/1123113057.db2.gz WKTAXDXLYJOTGH-UHFFFAOYSA-N 0 0 274.339 3.882 20 10 CHCDRN Cc1ccccc1NC1=NC(=O)C(=Cc2ccco2)S1 ZINC000007165839 1123115402 /nfs/dbraw/zinc/11/54/02/1123115402.db2.gz UUXJIFAIPBUMIT-UKTHLTGXSA-N 0 0 284.340 3.670 20 10 CHCDRN Cc1cccc(NC(=S)NCc2ccc(Cl)cn2)c1 ZINC000776194159 1123127786 /nfs/dbraw/zinc/12/77/86/1123127786.db2.gz KIPURYVDKLNOMY-UHFFFAOYSA-N 0 0 291.807 3.530 20 10 CHCDRN Cc1cccc(CNC(=O)Nc2c(C)cccc2C)c1O ZINC001202215003 1123188583 /nfs/dbraw/zinc/18/85/83/1123188583.db2.gz MJHSHGRCPAFVSD-UHFFFAOYSA-N 0 0 284.359 3.639 20 10 CHCDRN COc1cc(NCc2cccc(OC)c2O)ccc1Cl ZINC000193680294 1129104644 /nfs/dbraw/zinc/10/46/44/1129104644.db2.gz WXPDUTYAXZCGQO-UHFFFAOYSA-N 0 0 293.750 3.675 20 10 CHCDRN CC(C)c1nc(CSc2ncc(Cl)s2)no1 ZINC000849999798 1123235955 /nfs/dbraw/zinc/23/59/55/1123235955.db2.gz YJRUCPCRRPOXOT-UHFFFAOYSA-N 0 0 275.786 3.595 20 10 CHCDRN Clc1cnc(SCCCc2ccncc2)s1 ZINC000849999874 1123236093 /nfs/dbraw/zinc/23/60/93/1123236093.db2.gz BDLWMGJSXVVVJV-UHFFFAOYSA-N 0 0 270.810 3.916 20 10 CHCDRN CCOC(=O)CC[C@@H](C)Sc1ncc(Cl)s1 ZINC000849999869 1123236457 /nfs/dbraw/zinc/23/64/57/1123236457.db2.gz AXXMCLZRGSWLRE-SSDOTTSWSA-N 0 0 279.814 3.620 20 10 CHCDRN CC[C@H](NCc1nc(C(C)(C)C)co1)c1ccccc1O ZINC000895133304 1123246360 /nfs/dbraw/zinc/24/63/60/1123246360.db2.gz IJWLRGSKCXCZOH-ZDUSSCGKSA-N 0 0 288.391 3.919 20 10 CHCDRN C[C@@]1(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1(F)F ZINC000850380453 1123260174 /nfs/dbraw/zinc/26/01/74/1123260174.db2.gz GFZWAJXHHODXKH-GFCCVEGCSA-N 0 0 293.716 3.710 20 10 CHCDRN Cc1cc(O)c(CNc2ccc3c(c2)CCOC3)cc1C ZINC000850382361 1123261354 /nfs/dbraw/zinc/26/13/54/1123261354.db2.gz SWKIKIZGZRLCCD-UHFFFAOYSA-N 0 0 283.371 3.694 20 10 CHCDRN CC1(C)[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1(F)F ZINC000850394275 1123261969 /nfs/dbraw/zinc/26/19/69/1123261969.db2.gz OMMBCTMGEWESRY-JTQLQIEISA-N 0 0 293.716 3.566 20 10 CHCDRN CC[C@H]([NH2+]C[C@H](C)c1ccccn1)c1ccc(F)cc1[O-] ZINC000850482271 1123273121 /nfs/dbraw/zinc/27/31/21/1123273121.db2.gz NDGYAKIBBMJZKX-WFASDCNBSA-N 0 0 288.366 3.771 20 10 CHCDRN CSCC1(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000850506100 1123275927 /nfs/dbraw/zinc/27/59/27/1123275927.db2.gz FOOFDYNZIRYZJQ-LLVKDONJSA-N 0 0 283.412 3.715 20 10 CHCDRN C[C@H]([NH2+]CCc1ccoc1)c1ccc(Cl)cc1[O-] ZINC000850531035 1123285031 /nfs/dbraw/zinc/28/50/31/1123285031.db2.gz GMHNLVKSMIVDAS-JTQLQIEISA-N 0 0 265.740 3.532 20 10 CHCDRN CC(C)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000850555102 1123290896 /nfs/dbraw/zinc/29/08/96/1123290896.db2.gz GYYPRSQPFMYDEI-XPTSAGLGSA-N 0 0 269.335 3.756 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(Cl)cc1[O-] ZINC000850571697 1123295159 /nfs/dbraw/zinc/29/51/59/1123295159.db2.gz UBUUVTHZKOGOFD-GHMZBOCLSA-N 0 0 283.799 3.511 20 10 CHCDRN C[C@@H](c1c(F)cccc1F)N(C)Cc1ccccc1O ZINC000109772104 1123326855 /nfs/dbraw/zinc/32/68/55/1123326855.db2.gz CLNACDFSSWGOHW-NSHDSACASA-N 0 0 277.314 3.863 20 10 CHCDRN C[C@H]1N(C(=O)Cc2ccc(N)cc2)c2ccccc2C1(C)C ZINC000851646263 1123371780 /nfs/dbraw/zinc/37/17/80/1123371780.db2.gz ZQCZPBZSCXYOTH-CYBMUJFWSA-N 0 0 294.398 3.524 20 10 CHCDRN CCOC(=O)c1cnc(SC/C(C)=C\Cl)s1 ZINC000853565780 1123444257 /nfs/dbraw/zinc/44/42/57/1123444257.db2.gz ACQNYFCVWHHGHQ-DAXSKMNVSA-N 0 0 277.798 3.555 20 10 CHCDRN CC[C@@H](C)N(CC)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000855148652 1123507796 /nfs/dbraw/zinc/50/77/96/1123507796.db2.gz JLXOCIDICSMESY-CYBMUJFWSA-N 0 0 299.418 3.750 20 10 CHCDRN CC[C@H](C)[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000194174226 1129131259 /nfs/dbraw/zinc/13/12/59/1129131259.db2.gz OZMFTJSFHFMLFT-GXTWGEPZSA-N 0 0 299.418 3.654 20 10 CHCDRN CCc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC000857546918 1123606738 /nfs/dbraw/zinc/60/67/38/1123606738.db2.gz KMBIEZKFJAMCGU-UHFFFAOYSA-N 0 0 289.762 3.538 20 10 CHCDRN O=[N+]([O-])c1cc(Cl)ccc1CSc1nccs1 ZINC000115965830 1123640302 /nfs/dbraw/zinc/64/03/02/1123640302.db2.gz QKDRTEUHWLKRAG-UHFFFAOYSA-N 0 0 286.765 3.997 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNc1nc(Cl)cs1 ZINC000858413568 1123652072 /nfs/dbraw/zinc/65/20/72/1123652072.db2.gz PJHFUZFNMMQMKN-UHFFFAOYSA-N 0 0 281.812 3.783 20 10 CHCDRN CCC[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])OCC ZINC000858451724 1123655325 /nfs/dbraw/zinc/65/53/25/1123655325.db2.gz ZQSFMZNETARKHR-JQWIXIFHSA-N 0 0 287.350 3.526 20 10 CHCDRN C[C@@H](Nc1cccc2c1OCC2)c1cc(F)cc(F)c1O ZINC000858478416 1123656954 /nfs/dbraw/zinc/65/69/54/1123656954.db2.gz RLJLISZJNORKAN-SECBINFHSA-N 0 0 291.297 3.778 20 10 CHCDRN CCC(F)(F)CN[C@H](C)c1c(C)cc(C)cc1O ZINC000858508785 1123659591 /nfs/dbraw/zinc/65/95/91/1123659591.db2.gz ZNBQVTPKRGVGKP-LLVKDONJSA-N 0 0 257.324 3.705 20 10 CHCDRN C/C=C/C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000858536726 1123660822 /nfs/dbraw/zinc/66/08/22/1123660822.db2.gz JJFPHJAAUSZQCA-RTMURIBGSA-N 0 0 288.160 3.521 20 10 CHCDRN C/C=C\C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000858536949 1123660897 /nfs/dbraw/zinc/66/08/97/1123660897.db2.gz LGSJCHDQVJEBDS-TYRPZCRBSA-N 0 0 259.271 3.638 20 10 CHCDRN COc1ccc2c(c1)CCCCN2Cc1cnc(C2CC2)o1 ZINC000862371255 1123804324 /nfs/dbraw/zinc/80/43/24/1123804324.db2.gz HIYSFWMTNSFKCF-UHFFFAOYSA-N 0 0 298.386 3.904 20 10 CHCDRN CC[C@H](CC(=O)NCc1cc(C)ccc1O)c1ccccc1 ZINC000862759565 1123827282 /nfs/dbraw/zinc/82/72/82/1123827282.db2.gz GMQSKVWGJOYPAX-OAHLLOKOSA-N 0 0 297.398 3.901 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCC[C@@H]2C2CC2)c1 ZINC000862755165 1123828075 /nfs/dbraw/zinc/82/80/75/1123828075.db2.gz OUQIIKPAUWDYBD-HZPDHXFCSA-N 0 0 287.403 3.533 20 10 CHCDRN C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC001202508705 1123857044 /nfs/dbraw/zinc/85/70/44/1123857044.db2.gz JSYOUFQGSRHRCQ-STQMWFEESA-N 0 0 284.359 3.514 20 10 CHCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1)c1ccccc1O ZINC001202508704 1123857531 /nfs/dbraw/zinc/85/75/31/1123857531.db2.gz JSYOUFQGSRHRCQ-QWHCGFSZSA-N 0 0 284.359 3.514 20 10 CHCDRN c1csc(S[C@@H]2CCO[C@@H](c3ccncc3)C2)n1 ZINC000863295451 1123859629 /nfs/dbraw/zinc/85/96/29/1123859629.db2.gz UJIGWQRMAPWMMK-VXGBXAGGSA-N 0 0 278.402 3.551 20 10 CHCDRN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CS[C@H](C)C2)c1O ZINC000840859823 1123861732 /nfs/dbraw/zinc/86/17/32/1123861732.db2.gz MXXMYTYNWCHTLQ-SCVCMEIPSA-N 0 0 285.840 3.899 20 10 CHCDRN COCc1ccccc1NCc1ccc(N(C)C)c(F)c1 ZINC000119449712 1123869288 /nfs/dbraw/zinc/86/92/88/1123869288.db2.gz FPKQCJJKEPTMBQ-UHFFFAOYSA-N 0 0 288.366 3.650 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C1(C2CCC2)CCC1 ZINC000717902797 1129150773 /nfs/dbraw/zinc/15/07/73/1129150773.db2.gz CJVUWRIFCVACKI-UHFFFAOYSA-N 0 0 265.784 3.858 20 10 CHCDRN Cc1nc(C(C)C)ccc1CN(C)c1ccc(N)cc1 ZINC000863558563 1123875492 /nfs/dbraw/zinc/87/54/92/1123875492.db2.gz NKJGYXIDHBOHMB-UHFFFAOYSA-N 0 0 269.392 3.732 20 10 CHCDRN COc1cccc(Nc2ccc(NCC3(O)CCC3)cc2)c1 ZINC000863569890 1123877012 /nfs/dbraw/zinc/87/70/12/1123877012.db2.gz BJNDYWCEHGNUGI-UHFFFAOYSA-N 0 0 298.386 3.766 20 10 CHCDRN COc1nccc2c(NCc3cc(F)ccc3O)cccc21 ZINC000864015205 1123910023 /nfs/dbraw/zinc/91/00/23/1123910023.db2.gz JBISDRJLAGTCKW-UHFFFAOYSA-N 0 0 298.317 3.700 20 10 CHCDRN Cc1ccc(O)c(CNc2cc(F)cc(N(C)C)c2)c1 ZINC000864016687 1123910229 /nfs/dbraw/zinc/91/02/29/1123910229.db2.gz JCFSBAUVJOHEAU-UHFFFAOYSA-N 0 0 274.339 3.518 20 10 CHCDRN COc1ccc(NCc2ccc(N(C)C)c(F)c2)c(F)c1 ZINC000864042596 1123912280 /nfs/dbraw/zinc/91/22/80/1123912280.db2.gz VBTCQHDCJVCXQW-UHFFFAOYSA-N 0 0 292.329 3.652 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNc1ccnc(C(C)(C)C)n1 ZINC000301566860 1123912982 /nfs/dbraw/zinc/91/29/82/1123912982.db2.gz JWANXRBIEKHASR-UHFFFAOYSA-N 0 0 298.434 3.761 20 10 CHCDRN CCN1C(=O)/C(=C/c2ccc3occc3c2)SC1=S ZINC000794689296 1123932838 /nfs/dbraw/zinc/93/28/38/1123932838.db2.gz TURVHUQGKGLCHW-WQLSENKSSA-N 0 0 289.381 3.654 20 10 CHCDRN CC[C@H]([NH2+][C@H](CO)c1ccccc1C)c1ccc(C)cc1O ZINC000794804861 1123952466 /nfs/dbraw/zinc/95/24/66/1123952466.db2.gz VQWKHWUMGGCMMT-ZWKOTPCHSA-N 0 0 299.414 3.783 20 10 CHCDRN Cc1nc(Cl)cc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302421727 1123968343 /nfs/dbraw/zinc/96/83/43/1123968343.db2.gz OELQDCMGVXHRNR-JTQLQIEISA-N 0 0 290.798 3.678 20 10 CHCDRN Cc1cncc(/C=C/C(=O)N2C[C@@H](C)c3ccccc32)c1 ZINC000120517780 1123973284 /nfs/dbraw/zinc/97/32/84/1123973284.db2.gz OYRVSSGKMBJQAI-HSBSLETESA-N 0 0 278.355 3.554 20 10 CHCDRN C[C@@H]([NH2+]CCCc1ccccc1F)c1ccc(F)cc1[O-] ZINC000794838738 1123988319 /nfs/dbraw/zinc/98/83/19/1123988319.db2.gz ABVBYJOZBGLLFJ-GFCCVEGCSA-N 0 0 291.341 3.954 20 10 CHCDRN CN(C)c1ccc(CNc2nc3ccccc3o2)cc1 ZINC000026082323 1124018635 /nfs/dbraw/zinc/01/86/35/1124018635.db2.gz HVRCGTDWONTMIP-UHFFFAOYSA-N 0 0 267.332 3.506 20 10 CHCDRN CC[C@@H]([NH2+]CC(C)(C)F)c1cccc(Cl)c1[O-] ZINC000866408987 1124064329 /nfs/dbraw/zinc/06/43/29/1124064329.db2.gz GYTLVOMLLUIIBL-LLVKDONJSA-N 0 0 259.752 3.834 20 10 CHCDRN Cc1ncc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])s1 ZINC000866455391 1124067963 /nfs/dbraw/zinc/06/79/63/1124067963.db2.gz LDLCEKRXFWNIDB-RKDXNWHRSA-N 0 0 280.368 3.708 20 10 CHCDRN CC[C@H]([NH2+]Cc1ccnc(F)c1)c1cccc(Cl)c1[O-] ZINC000866475248 1124069772 /nfs/dbraw/zinc/06/97/72/1124069772.db2.gz URIQHSDVVWFEHG-ZDUSSCGKSA-N 0 0 294.757 3.821 20 10 CHCDRN CC[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(F)cc1[O-] ZINC000866498997 1124073811 /nfs/dbraw/zinc/07/38/11/1124073811.db2.gz CGIKBFOHROIGTJ-GMTAPVOTSA-N 0 0 277.261 3.523 20 10 CHCDRN CC[C@H](C[C@@H](C)O)[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000866634539 1124091849 /nfs/dbraw/zinc/09/18/49/1124091849.db2.gz SGQQZLNRZVOQGG-GYSYKLTISA-N 0 0 285.815 3.636 20 10 CHCDRN C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000819501806 1131252285 /nfs/dbraw/zinc/25/22/85/1131252285.db2.gz LWHXMQLPUDDXLM-JKIFEVAISA-N 0 0 288.435 3.756 20 10 CHCDRN CC[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827978304 1131277898 /nfs/dbraw/zinc/27/78/98/1131277898.db2.gz OUYWKVXYWLTWKM-HOCLYGCPSA-N 0 0 297.398 3.838 20 10 CHCDRN CC(=O)Nc1ccc(N[C@@H](C)c2ccccc2O)cc1 ZINC000019885846 1124765723 /nfs/dbraw/zinc/76/57/23/1124765723.db2.gz GIXBMNPXPVOAHY-NSHDSACASA-N 0 0 270.332 3.524 20 10 CHCDRN C[C@@H](Nc1ccc2c(c1)OCCCO2)c1ccccc1O ZINC000019906117 1124769292 /nfs/dbraw/zinc/76/92/92/1124769292.db2.gz HERBQLMNMPTFDW-GFCCVEGCSA-N 0 0 285.343 3.727 20 10 CHCDRN COc1ccc(OC)c(NCc2cc(Cl)ccc2O)c1 ZINC000019910646 1124769297 /nfs/dbraw/zinc/76/92/97/1124769297.db2.gz UFDKQDROCDFFSC-UHFFFAOYSA-N 0 0 293.750 3.675 20 10 CHCDRN CC(C)C[C@H](C(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC001122445464 1131300747 /nfs/dbraw/zinc/30/07/47/1131300747.db2.gz TVYISKLJZMKMOY-SFHVURJKSA-N 0 0 296.414 3.715 20 10 CHCDRN CN(C)c1ccc(/C=C/C(C)(C)O)cc1C(F)(F)F ZINC001239154818 1131303102 /nfs/dbraw/zinc/30/31/02/1131303102.db2.gz FPVYSMMFAZLKGR-BQYQJAHWSA-N 0 0 273.298 3.556 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]CCc1cccc(F)c1 ZINC000124674472 1124803298 /nfs/dbraw/zinc/80/32/98/1124803298.db2.gz FNLWAFGYUUSZDQ-UHFFFAOYSA-N 0 0 279.742 3.517 20 10 CHCDRN COc1ccc(O)c(CNc2ccc(C)c(Cl)c2)c1 ZINC000020086692 1124804921 /nfs/dbraw/zinc/80/49/21/1124804921.db2.gz IMTOHTMWUDAIKU-UHFFFAOYSA-N 0 0 277.751 3.975 20 10 CHCDRN COc1cccc(N[C@H](C)c2ccc(C)cc2O)c1 ZINC000020092687 1124805728 /nfs/dbraw/zinc/80/57/28/1124805728.db2.gz POZVHKPGRRLXNX-GFCCVEGCSA-N 0 0 257.333 3.882 20 10 CHCDRN C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000124688532 1124806971 /nfs/dbraw/zinc/80/69/71/1124806971.db2.gz JJLPEJOLDCZKPK-CMPLNLGQSA-N 0 0 253.773 3.714 20 10 CHCDRN C[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])C(C)(C)C ZINC000124824732 1124817903 /nfs/dbraw/zinc/81/79/03/1124817903.db2.gz NZJDIRVPBHTWTD-SNVBAGLBSA-N 0 0 255.789 3.817 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1nccs1 ZINC000124835347 1124819390 /nfs/dbraw/zinc/81/93/90/1124819390.db2.gz OTDRSRQOKSEGSW-LLVKDONJSA-N 0 0 282.796 3.743 20 10 CHCDRN Cc1noc(C)c1[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124828307 1124819821 /nfs/dbraw/zinc/81/98/21/1124819821.db2.gz BAAUYPAPRGFIRQ-MRVPVSSYSA-N 0 0 280.755 3.501 20 10 CHCDRN CCC[C@H](CC)C(=O)NCCCSc1nccs1 ZINC000874467304 1124833780 /nfs/dbraw/zinc/83/37/80/1124833780.db2.gz XTPVDYNWCNPSMN-NSHDSACASA-N 0 0 286.466 3.568 20 10 CHCDRN COc1ccc(O)c(CNc2cccc3c2CCCC3)c1 ZINC000020545127 1124848640 /nfs/dbraw/zinc/84/86/40/1124848640.db2.gz WWBSYKUAIJNYQD-UHFFFAOYSA-N 0 0 283.371 3.892 20 10 CHCDRN CCCCN(C(=O)/C=C\c1cncc(C)c1)c1ccncc1 ZINC000876288880 1124936027 /nfs/dbraw/zinc/93/60/27/1124936027.db2.gz AMPUFQWEAMOXRL-WAYWQWQTSA-N 0 0 295.386 3.632 20 10 CHCDRN CCON(CC1CCCCC1)C(=O)Nc1ccc(N)cc1 ZINC000841299226 1124948204 /nfs/dbraw/zinc/94/82/04/1124948204.db2.gz XEQXPXLXNILNBT-UHFFFAOYSA-N 0 0 291.395 3.635 20 10 CHCDRN CC(C)[N@H+](Cc1ccco1)Cc1ccc(F)c(F)c1[O-] ZINC000876568265 1124962535 /nfs/dbraw/zinc/96/25/35/1124962535.db2.gz WNTVJBWQDJVBHN-UHFFFAOYSA-N 0 0 281.302 3.674 20 10 CHCDRN [O-]c1c(C[NH2+][C@H](c2cccs2)C2CC2)ccc(F)c1F ZINC000876909093 1124990362 /nfs/dbraw/zinc/99/03/62/1124990362.db2.gz UUBZDCFUEJSGCU-AWEZNQCLSA-N 0 0 295.354 3.973 20 10 CHCDRN CN(C(=O)C1CC2(C1)CCCCC2)c1ccc(N)cc1 ZINC000877074263 1125005428 /nfs/dbraw/zinc/00/54/28/1125005428.db2.gz FCJBPFMCWAFUMT-UHFFFAOYSA-N 0 0 272.392 3.592 20 10 CHCDRN CN(C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1)c1ccc(N)cc1 ZINC000877074324 1125005786 /nfs/dbraw/zinc/00/57/86/1125005786.db2.gz HAASCAZYFLSTEN-IAGOWNOFSA-N 0 0 298.361 3.565 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2ccc(Cl)nn2)cc1 ZINC000877478061 1125033072 /nfs/dbraw/zinc/03/30/72/1125033072.db2.gz LBAPBSPGZBUWOW-UHFFFAOYSA-N 0 0 291.782 3.554 20 10 CHCDRN Cc1cccc(O)c1CNc1ccc([C@@H]2CCOC2)cc1 ZINC000877552601 1125044745 /nfs/dbraw/zinc/04/47/45/1125044745.db2.gz FAXRHENVWNRSGL-OAHLLOKOSA-N 0 0 283.371 3.817 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(C(F)F)nc2)cc1 ZINC000877609971 1125051367 /nfs/dbraw/zinc/05/13/67/1125051367.db2.gz OUPZHOXYJNYPJO-UHFFFAOYSA-N 0 0 278.302 3.664 20 10 CHCDRN CCN(C(=O)C1=CC(=O)CS1)c1cc(C)cc(C)c1 ZINC000821445396 1131329846 /nfs/dbraw/zinc/32/98/46/1131329846.db2.gz XGOSYHDRCIQBQY-UHFFFAOYSA-N 0 0 275.373 3.737 20 10 CHCDRN CCCCc1noc([C@@H](C)N[C@H](C)c2ccccc2O)n1 ZINC000879650065 1125222052 /nfs/dbraw/zinc/22/20/52/1125222052.db2.gz ZJBURHNUOVDKLC-VXGBXAGGSA-N 0 0 289.379 3.530 20 10 CHCDRN Cc1cc(NCc2cccc(Cl)c2O)nc(C2CC2)n1 ZINC000897392086 1125289009 /nfs/dbraw/zinc/28/90/09/1125289009.db2.gz MIBLONCDCQXDBP-UHFFFAOYSA-N 0 0 289.766 3.634 20 10 CHCDRN Nc1ccc(OCc2cn([C@@H]3C=CCCCCC3)nn2)cc1 ZINC000881315741 1125307930 /nfs/dbraw/zinc/30/79/30/1125307930.db2.gz IVTYCBYOMZJLFB-MRXNPFEDSA-N 0 0 298.390 3.501 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000882986760 1125365616 /nfs/dbraw/zinc/36/56/16/1125365616.db2.gz IMFQQLMQFAJPFX-UHFFFAOYSA-N 0 0 293.288 3.588 20 10 CHCDRN C[C@H](c1ccco1)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000131066359 1125372732 /nfs/dbraw/zinc/37/27/32/1125372732.db2.gz XPIHOVLKKGRNRC-GFCCVEGCSA-N 0 0 276.355 3.678 20 10 CHCDRN CC(C)([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1F ZINC000883126937 1125373100 /nfs/dbraw/zinc/37/31/00/1125373100.db2.gz GFGWCNFDSANMTG-UHFFFAOYSA-N 0 0 295.304 3.834 20 10 CHCDRN Cc1cc(N[C@@H]2CCc3cccc(O)c32)cnc1C ZINC000883342868 1125398372 /nfs/dbraw/zinc/39/83/72/1125398372.db2.gz OVYFIPUZNJXQDW-CQSZACIVSA-N 0 0 254.333 3.503 20 10 CHCDRN Clc1cccc(COc2ccc(N3CCCC3)cc2)n1 ZINC000132038051 1125414032 /nfs/dbraw/zinc/41/40/32/1125414032.db2.gz YWEGSGBGQDZSHN-UHFFFAOYSA-N 0 0 288.778 3.914 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H]1CC[C@H](C)C1 ZINC000133009100 1125429138 /nfs/dbraw/zinc/42/91/38/1125429138.db2.gz MQGLVTBIIRDQLO-GJZGRUSLSA-N 0 0 289.419 3.957 20 10 CHCDRN CO[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)C1CC1 ZINC000293669342 1129179632 /nfs/dbraw/zinc/17/96/32/1129179632.db2.gz JHJVEAVNCJPFHE-SJCJKPOMSA-N 0 0 285.387 3.621 20 10 CHCDRN C[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)c2ccccc21 ZINC000832149045 1129184445 /nfs/dbraw/zinc/18/44/45/1129184445.db2.gz SBCKTNIYHVTMRV-LLVKDONJSA-N 0 0 287.384 3.998 20 10 CHCDRN Cc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)c1 ZINC000245555009 1129211600 /nfs/dbraw/zinc/21/16/00/1129211600.db2.gz HVCFHJHLHWILHV-HNAYVOBHSA-N 0 0 297.398 3.663 20 10 CHCDRN C[C@H]1CCCC[N@H+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237934217 1129221762 /nfs/dbraw/zinc/22/17/62/1129221762.db2.gz JBJVKPNBHXDHCY-JTQLQIEISA-N 0 0 271.763 3.807 20 10 CHCDRN COCc1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000296789598 1129223836 /nfs/dbraw/zinc/22/38/36/1129223836.db2.gz LBZCUICXLSBAMF-HNNXBMFYSA-N 0 0 269.344 3.638 20 10 CHCDRN CCOc1ccccc1N[C@H]1CCc2cccc(O)c21 ZINC000297142478 1129225254 /nfs/dbraw/zinc/22/52/54/1129225254.db2.gz ZMSZBYPMTJGJCA-AWEZNQCLSA-N 0 0 269.344 3.890 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)C2CC(C)(C)C2)cc1 ZINC000795345264 1129240171 /nfs/dbraw/zinc/24/01/71/1129240171.db2.gz NOAGKSZWDIBCQK-UHFFFAOYSA-N 0 0 288.435 3.585 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)/C=C/C(C)(C)C)cc1 ZINC000733922321 1129288937 /nfs/dbraw/zinc/28/89/37/1129288937.db2.gz XBPMAKCNGRXZPZ-OUKQBFOZSA-N 0 0 288.435 3.751 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)C(C)(C)C)cc1 ZINC000734388771 1129307651 /nfs/dbraw/zinc/30/76/51/1129307651.db2.gz ACGZKDIEVQSJIW-CQSZACIVSA-N 0 0 290.451 3.831 20 10 CHCDRN Oc1ccccc1C[NH2+]Cc1ccc(Br)s1 ZINC000038018568 1129321071 /nfs/dbraw/zinc/32/10/71/1129321071.db2.gz IJGDFTLTMGYXRI-UHFFFAOYSA-N 0 0 298.205 3.506 20 10 CHCDRN COc1ccc(N(C)C[C@H](C)c2ccccc2)cc1OC ZINC000735078499 1129330717 /nfs/dbraw/zinc/33/07/17/1129330717.db2.gz MDSMODNZMCHAIA-AWEZNQCLSA-N 0 0 285.387 3.944 20 10 CHCDRN CCCC[C@H](CC)CC(=O)NCc1ccccc1O ZINC000735332386 1129339690 /nfs/dbraw/zinc/33/96/90/1129339690.db2.gz YMQADKQAYRMNAX-ZDUSSCGKSA-N 0 0 263.381 3.615 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CC=CCC2)cc1 ZINC000736058872 1129369662 /nfs/dbraw/zinc/36/96/62/1129369662.db2.gz RLVUPKKEAGNSQM-KRWDZBQOSA-N 0 0 294.398 3.933 20 10 CHCDRN CCOc1ccc(N(CC)CC(F)(F)C(F)F)cc1 ZINC000736619849 1129377913 /nfs/dbraw/zinc/37/79/13/1129377913.db2.gz IHUDLXUGOKQOHO-UHFFFAOYSA-N 0 0 279.277 3.812 20 10 CHCDRN CC[C@H](CC(=O)NCc1ccccc1O)c1ccc(C)cc1 ZINC000738514019 1129394161 /nfs/dbraw/zinc/39/41/61/1129394161.db2.gz RIWWLDPYQSOUGD-OAHLLOKOSA-N 0 0 297.398 3.901 20 10 CHCDRN CC[C@@H](NC(=O)C1=CC(=O)CS1)c1cc(F)ccc1F ZINC000740933323 1129423950 /nfs/dbraw/zinc/42/39/50/1129423950.db2.gz XVNTVEHFZXSHCJ-GFCCVEGCSA-N 0 0 297.326 3.613 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(-c2ccccc2N)cn1 ZINC001241072277 1129424356 /nfs/dbraw/zinc/42/43/56/1129424356.db2.gz IBNHJBHJNDAWNV-UHFFFAOYSA-N 0 0 263.344 3.738 20 10 CHCDRN CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cccc(OC)c2O)C1 ZINC000093868832 1129428491 /nfs/dbraw/zinc/42/84/91/1129428491.db2.gz YRIXGWKYTNNNDG-KGLIPLIRSA-N 0 0 295.448 3.507 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@H](C)C(C)C)c1ccc(F)cc1[O-] ZINC000796771268 1129432087 /nfs/dbraw/zinc/43/20/87/1129432087.db2.gz IHQQCCYOMSHZJM-BXUZGUMPSA-N 0 0 253.361 3.864 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000741567732 1129442671 /nfs/dbraw/zinc/44/26/71/1129442671.db2.gz UNMIHPKCVIONEW-HIFRSBDPSA-N 0 0 288.435 3.504 20 10 CHCDRN CC[C@H](C)CCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000795831834 1129450886 /nfs/dbraw/zinc/45/08/86/1129450886.db2.gz BPJOTPJRQAYYNL-AWEZNQCLSA-N 0 0 288.435 3.512 20 10 CHCDRN CC(C)OCCCN1CCCc2cc(OC(F)F)ccc21 ZINC000741781444 1129452407 /nfs/dbraw/zinc/45/24/07/1129452407.db2.gz MLPNRBHQFHONIB-UHFFFAOYSA-N 0 0 299.361 3.856 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCC2(C)C)cc1 ZINC001125235428 1131375293 /nfs/dbraw/zinc/37/52/93/1131375293.db2.gz NWVYNQUZLJNFPK-MRXNPFEDSA-N 0 0 288.435 3.585 20 10 CHCDRN CCOC1CC(CN(c2ccc(OC)c(F)c2)C(C)C)C1 ZINC000795950019 1129460908 /nfs/dbraw/zinc/46/09/08/1129460908.db2.gz SWICFQIEOPQJOG-UHFFFAOYSA-N 0 0 295.398 3.864 20 10 CHCDRN CC1=C(C)C[N@H+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000796016697 1129463796 /nfs/dbraw/zinc/46/37/96/1129463796.db2.gz BIPFGPJENJPAEG-UHFFFAOYSA-N 0 0 269.747 3.727 20 10 CHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC1CCC1 ZINC000742563085 1129485726 /nfs/dbraw/zinc/48/57/26/1129485726.db2.gz DSQHJUSCIROMOZ-UHFFFAOYSA-N 0 0 288.435 3.680 20 10 CHCDRN Cn1cc(-c2cc(=O)n(C)c3ccccc23)c2ccccc21 ZINC001239545461 1131377599 /nfs/dbraw/zinc/37/75/99/1131377599.db2.gz IWYVJSYGJCIOMK-UHFFFAOYSA-N 0 0 288.350 3.697 20 10 CHCDRN O=C(NCCCCC1CCCC1)NCc1ccccc1O ZINC000743706307 1129533826 /nfs/dbraw/zinc/53/38/26/1129533826.db2.gz VRGKUDKQFNWCMU-UHFFFAOYSA-N 0 0 290.407 3.552 20 10 CHCDRN CC[C@H](Cc1ccccc1)N(C)C(=O)C1=CC(=O)CS1 ZINC000743688544 1129534160 /nfs/dbraw/zinc/53/41/60/1129534160.db2.gz ZOIVXAUDKZHLIQ-CYBMUJFWSA-N 0 0 289.400 3.547 20 10 CHCDRN O=C(N[C@@H](CC1CC1)c1ccccc1)C1=CC(=O)CS1 ZINC000743708470 1129534760 /nfs/dbraw/zinc/53/47/60/1129534760.db2.gz FTRJFDRECUZEBJ-AWEZNQCLSA-N 0 0 287.384 3.725 20 10 CHCDRN COc1ccc(N(CC[C@H](C)O)Cc2cccs2)cc1 ZINC000828274348 1131381448 /nfs/dbraw/zinc/38/14/48/1131381448.db2.gz WUIIUUMXWNNVEH-ZDUSSCGKSA-N 0 0 291.416 3.534 20 10 CHCDRN O=C(OCCCC1CCCC1)C1=CC(=O)CS1 ZINC000745002181 1129591757 /nfs/dbraw/zinc/59/17/57/1129591757.db2.gz IBSTXZUCZQFQPC-UHFFFAOYSA-N 0 0 254.351 3.581 20 10 CHCDRN CCCN(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000746137283 1129627026 /nfs/dbraw/zinc/62/70/26/1129627026.db2.gz NNWAYQBGWSBBLC-UHFFFAOYSA-N 0 0 274.330 3.527 20 10 CHCDRN CN(C)c1ccc(C2=CCOCC2)c2ccccc21 ZINC001242075995 1129655842 /nfs/dbraw/zinc/65/58/42/1129655842.db2.gz TZDJPJMTYLMHMO-UHFFFAOYSA-N 0 0 253.345 3.710 20 10 CHCDRN Cc1ccccc1[C@@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000828538930 1131389254 /nfs/dbraw/zinc/38/92/54/1131389254.db2.gz FFTVGLMZPXHFMG-ZIAGYGMSSA-N 0 0 283.371 3.682 20 10 CHCDRN COc1ccc(-c2cc(COc3ccc(N)cc3)on2)cc1 ZINC000746477251 1129670061 /nfs/dbraw/zinc/67/00/61/1129670061.db2.gz DYOQLLZFRBXCAM-UHFFFAOYSA-N 0 0 296.326 3.511 20 10 CHCDRN FC1(F)CC=C(c2ccc(N3CCOCC3)cc2)CC1 ZINC001242233015 1129706846 /nfs/dbraw/zinc/70/68/46/1129706846.db2.gz MQULQMCABKPOLL-UHFFFAOYSA-N 0 0 279.330 3.726 20 10 CHCDRN COc1ccc(N(CCC(C)C)Cc2cnc(C)nc2)cc1 ZINC000796509932 1129765832 /nfs/dbraw/zinc/76/58/32/1129765832.db2.gz OVBATBJYPVEJGI-UHFFFAOYSA-N 0 0 299.418 3.846 20 10 CHCDRN CC(=O)[C@@H](Cc1c(F)cccc1F)Sc1nccs1 ZINC000767061532 1129775272 /nfs/dbraw/zinc/77/52/72/1129775272.db2.gz KNGDIAJDMCLUIV-GFCCVEGCSA-N 0 0 299.367 3.714 20 10 CHCDRN Cc1nccn1CCSc1ncc(C(C)(C)C)s1 ZINC000767210154 1129781434 /nfs/dbraw/zinc/78/14/34/1129781434.db2.gz VSYIMVUXFLEFES-UHFFFAOYSA-N 0 0 281.450 3.738 20 10 CHCDRN Cn1ccc2c1ccnc2-c1cccnc1C(F)(F)F ZINC001242373467 1129800090 /nfs/dbraw/zinc/80/00/90/1129800090.db2.gz ZCNRXEMGGGJSJR-UHFFFAOYSA-N 0 0 277.249 3.654 20 10 CHCDRN CCCC[C@H](C)C(=O)N(CCC)Cc1ccccc1O ZINC000800513865 1129881850 /nfs/dbraw/zinc/88/18/50/1129881850.db2.gz AFTYFXRRXUERAJ-AWEZNQCLSA-N 0 0 277.408 3.957 20 10 CHCDRN CN(C)c1ccc(CN2CCCC[C@@H]2C(F)F)cc1F ZINC000800533897 1129882480 /nfs/dbraw/zinc/88/24/80/1129882480.db2.gz UDZJGOYYKUXYMY-CQSZACIVSA-N 0 0 286.341 3.511 20 10 CHCDRN 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ZINC000825086757 1131499224 /nfs/dbraw/zinc/49/92/24/1131499224.db2.gz VOPFYAVBVQTQBE-UHFFFAOYSA-N 0 0 294.782 3.584 20 10 CHCDRN Cc1cc(O)c(CNc2cnn(C(C)(C)C)c2)cc1Cl ZINC000825384610 1131510393 /nfs/dbraw/zinc/51/03/93/1131510393.db2.gz GGGMKIGJZOWCSA-UHFFFAOYSA-N 0 0 293.798 3.918 20 10 CHCDRN CNc1ccccc1N[C@H](C)c1cccc(C(=O)OC)c1 ZINC001171109488 1131536220 /nfs/dbraw/zinc/53/62/20/1131536220.db2.gz OAWGCLCLUKFNOQ-GFCCVEGCSA-N 0 0 284.359 3.688 20 10 CHCDRN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ccc(N)cc2)o1 ZINC000832250396 1131549828 /nfs/dbraw/zinc/54/98/28/1131549828.db2.gz PPBSXRBIVNHMOA-ABAIWWIYSA-N 0 0 284.359 3.557 20 10 CHCDRN Oc1cccc2c1C[N@H+](Cc1cc3ccccc3o1)CC2 ZINC001139064306 1131578664 /nfs/dbraw/zinc/57/86/64/1131578664.db2.gz ZORUZXOKDNOUSR-UHFFFAOYSA-N 0 0 279.339 3.697 20 10 CHCDRN O=C(C1=CC(=O)CS1)N1CC2(CCC2)[C@H]1c1ccccc1 ZINC000832850966 1131594001 /nfs/dbraw/zinc/59/40/01/1131594001.db2.gz UHEYNUPHZYLNJI-OAHLLOKOSA-N 0 0 299.395 3.821 20 10 CHCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001139682649 1131627633 /nfs/dbraw/zinc/62/76/33/1131627633.db2.gz AMCHPIKMLMFIAI-NEPJUHHUSA-N 0 0 281.346 3.683 20 10 CHCDRN CCC[C@H]1CCCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139683358 1131628098 /nfs/dbraw/zinc/62/80/98/1131628098.db2.gz LVJLQOCOBFYRHT-NSHDSACASA-N 0 0 269.335 3.825 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000845791561 1131661189 /nfs/dbraw/zinc/66/11/89/1131661189.db2.gz QQEBCAXEDXIQRW-HLLBOEOZSA-N 0 0 299.414 3.733 20 10 CHCDRN COc1cccc([C@@H](C)Nc2ccc3c(c2)CCCO3)c1O ZINC000846162522 1131692944 /nfs/dbraw/zinc/69/29/44/1131692944.db2.gz LMJYTDQXVGUDHB-GFCCVEGCSA-N 0 0 299.370 3.899 20 10 CHCDRN COc1ccc(N[C@@H](C)c2cccc(OC)c2O)c(C)c1 ZINC000846159315 1131693216 /nfs/dbraw/zinc/69/32/16/1131693216.db2.gz JFBNEYRSBBJERX-LBPRGKRZSA-N 0 0 287.359 3.891 20 10 CHCDRN C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)c1ccc(F)cc1[O-] ZINC000846184644 1131697922 /nfs/dbraw/zinc/69/79/22/1131697922.db2.gz MMSZVTYLWKZWRY-CUOATXAZSA-N 0 0 289.753 3.887 20 10 CHCDRN CC(C)CCn1ccc(N[C@H]2CCc3cccc(O)c32)n1 ZINC000834730539 1131699049 /nfs/dbraw/zinc/69/90/49/1131699049.db2.gz ZEFOEHSEQBDORF-AWEZNQCLSA-N 0 0 285.391 3.734 20 10 CHCDRN COCc1ccnc(N[C@H](C)c2cc(Cl)ccc2O)c1 ZINC000846214197 1131700215 /nfs/dbraw/zinc/70/02/15/1131700215.db2.gz YALQTQXKYIIMAD-SNVBAGLBSA-N 0 0 292.766 3.760 20 10 CHCDRN C[C@H]1CCN(Cc2c(O)cccc2Cl)CC1(F)F ZINC001140337980 1131701237 /nfs/dbraw/zinc/70/12/37/1131701237.db2.gz PMCJQAXWXWNHJH-VIFPVBQESA-N 0 0 275.726 3.523 20 10 CHCDRN COCC1(C[NH2+][C@H]2CCc3cccc(O)c32)CCCCC1 ZINC000834807936 1131706385 /nfs/dbraw/zinc/70/63/85/1131706385.db2.gz VBHHMOKFOIRDDL-HNNXBMFYSA-N 0 0 289.419 3.566 20 10 CHCDRN CC[C@@H](N[C@H](C)c1cc(Cl)ccc1O)C(F)F ZINC000834827001 1131707547 /nfs/dbraw/zinc/70/75/47/1131707547.db2.gz HCEFKLXJLZOWAR-GMSGAONNSA-N 0 0 263.715 3.740 20 10 CHCDRN CC[C@H]([NH2+]CC1(OC)CCCC1)c1ccc(F)cc1[O-] ZINC000834814133 1131707675 /nfs/dbraw/zinc/70/76/75/1131707675.db2.gz FSASLFJSZQURJW-AWEZNQCLSA-N 0 0 281.371 3.531 20 10 CHCDRN O=C(NCc1cc(Cl)ccc1O)C1(C2CCC2)CCC1 ZINC000846475252 1131710631 /nfs/dbraw/zinc/71/06/31/1131710631.db2.gz AUUNVOQOLIFTGY-UHFFFAOYSA-N 0 0 293.794 3.632 20 10 CHCDRN CC[C@@H]([NH2+]C[C@](C)(CC)OC)c1cccc(Cl)c1[O-] ZINC000834882023 1131716518 /nfs/dbraw/zinc/71/65/18/1131716518.db2.gz HWTQPAUVVRFYSG-HIFRSBDPSA-N 0 0 285.815 3.901 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cnccc1C)c1cccc(Cl)c1[O-] ZINC000834887594 1131719386 /nfs/dbraw/zinc/71/93/86/1131719386.db2.gz VKXBBRZUFSTIDC-OAHLLOKOSA-N 0 0 290.794 3.990 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1nccn1CC)c1ccc(F)cc1[O-] ZINC000834896361 1131721357 /nfs/dbraw/zinc/72/13/57/1131721357.db2.gz VJYVWELBPOGSJD-FZMZJTMJSA-N 0 0 291.370 3.550 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cnc(C)cc1C)c1ccc(F)cc1[O-] ZINC000834904115 1131729064 /nfs/dbraw/zinc/72/90/64/1131729064.db2.gz VIXSPYFYHGYAQQ-MRXNPFEDSA-N 0 0 288.366 3.784 20 10 CHCDRN CCO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000834910535 1131730644 /nfs/dbraw/zinc/73/06/44/1131730644.db2.gz DZNRNKULAFXDPO-SGIREYDYSA-N 0 0 281.371 3.530 20 10 CHCDRN CCC(C)(C)OCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000834914101 1131733415 /nfs/dbraw/zinc/73/34/15/1131733415.db2.gz LFNAFMMWQGZHIT-LLVKDONJSA-N 0 0 285.815 3.901 20 10 CHCDRN C[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2O)[C@H]1C ZINC001140466458 1131752523 /nfs/dbraw/zinc/75/25/23/1131752523.db2.gz GKHMXCQJJMZCSA-MNOVXSKESA-N 0 0 253.773 3.666 20 10 CHCDRN C[C@@H]1CC[C@H](CN(C)c2ccc(-c3nccs3)cc2)O1 ZINC000846990806 1131767415 /nfs/dbraw/zinc/76/74/15/1131767415.db2.gz CPHGBLVQMRMRCQ-IUODEOHRSA-N 0 0 288.416 3.814 20 10 CHCDRN CCOCCCN(C)c1ccc(-c2nccs2)cc1 ZINC000846991056 1131767780 /nfs/dbraw/zinc/76/77/80/1131767780.db2.gz DCYPCMASILVZPN-UHFFFAOYSA-N 0 0 276.405 3.673 20 10 CHCDRN CN(C)c1ccc(O[C@@H]2CCOc3ccccc32)cc1 ZINC001227938671 1131771280 /nfs/dbraw/zinc/77/12/80/1131771280.db2.gz BUGORLPNAYZHHV-QGZVFWFLSA-N 0 0 269.344 3.655 20 10 CHCDRN CN(C)c1ccc(OC(C(F)(F)F)C(F)(F)F)cc1 ZINC001227939710 1131772585 /nfs/dbraw/zinc/77/25/85/1131772585.db2.gz DFXMFGUVBXNWCL-UHFFFAOYSA-N 0 0 287.203 3.625 20 10 CHCDRN CC[C@H]([NH2+]CC1(OC)CCCCC1)c1ccc(F)cc1[O-] ZINC000796949013 1131792658 /nfs/dbraw/zinc/79/26/58/1131792658.db2.gz NYLBRHQCLOKNLH-HNNXBMFYSA-N 0 0 295.398 3.921 20 10 CHCDRN [O-]c1cc(F)cc(F)c1C[NH+]1CCC2(CCCC2)CC1 ZINC001140582961 1131806875 /nfs/dbraw/zinc/80/68/75/1131806875.db2.gz QWYZSSHYUNRXNL-UHFFFAOYSA-N 0 0 281.346 3.827 20 10 CHCDRN CC(C)(C)c1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC001148219413 1131847043 /nfs/dbraw/zinc/84/70/43/1131847043.db2.gz YSTZVPZLKGMJEE-UHFFFAOYSA-N 0 0 285.343 3.648 20 10 CHCDRN C[C@@H](NC(=O)[C@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000772994523 1131871432 /nfs/dbraw/zinc/87/14/32/1131871432.db2.gz NOSRILYBWVBTQO-HUUCEWRRSA-N 0 0 296.414 3.734 20 10 CHCDRN C[C@@H](NC(=O)[C@H]1CCCC1(C)C)c1ccc(N(C)C)cc1 ZINC000773008594 1131917222 /nfs/dbraw/zinc/91/72/22/1131917222.db2.gz GQJAUIOXGRKTSY-CZUORRHYSA-N 0 0 288.435 3.756 20 10 CHCDRN C/C(=C/C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C(C)(C)C ZINC000773017468 1131918863 /nfs/dbraw/zinc/91/88/63/1131918863.db2.gz GRBXJIODBDWYPD-WUFNSSIPSA-N 0 0 288.435 3.922 20 10 CHCDRN C[C@@H](NC(=O)C=C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773014985 1131920927 /nfs/dbraw/zinc/92/09/27/1131920927.db2.gz MDQSVVRLDHGZBK-CQSZACIVSA-N 0 0 286.419 3.820 20 10 CHCDRN CCC(CC)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773018076 1131922008 /nfs/dbraw/zinc/92/20/08/1131922008.db2.gz WSYSFBNKUDYVMI-ZDUSSCGKSA-N 0 0 276.424 3.756 20 10 CHCDRN C[C@@H](NC(=O)C1(C)CCCC1)c1ccc(N(C)C)cc1 ZINC000773028208 1131923259 /nfs/dbraw/zinc/92/32/59/1131923259.db2.gz YVUPLNYEXYMRND-CYBMUJFWSA-N 0 0 274.408 3.510 20 10 CHCDRN Oc1ccc(NCc2ccccc2OC2CCOCC2)cc1 ZINC001171386265 1131951839 /nfs/dbraw/zinc/95/18/39/1131951839.db2.gz XHGVMKOZKRJKPF-UHFFFAOYSA-N 0 0 299.370 3.562 20 10 CHCDRN CN(C)c1ccc(CN2CCc3occc3C2)c(Cl)c1 ZINC001140925123 1131964832 /nfs/dbraw/zinc/96/48/32/1131964832.db2.gz OETRRGLMDSVYRY-UHFFFAOYSA-N 0 0 290.794 3.557 20 10 CHCDRN Cc1ccc(CN2Cc3ccccc3C(F)(F)C2)c(O)c1 ZINC001140948736 1131970509 /nfs/dbraw/zinc/97/05/09/1131970509.db2.gz YBDHFOYTJSFNGE-UHFFFAOYSA-N 0 0 289.325 3.808 20 10 CHCDRN Cc1ccc(C[N@@H+](C)Cc2cccc(F)c2F)c(O)c1 ZINC001140954264 1131971462 /nfs/dbraw/zinc/97/14/62/1131971462.db2.gz OFGYIPDPNCTDNN-UHFFFAOYSA-N 0 0 277.314 3.611 20 10 CHCDRN Oc1ccc(Cl)cc1CNc1cccc(-n2ccnc2)c1 ZINC000036940099 1131984302 /nfs/dbraw/zinc/98/43/02/1131984302.db2.gz OXWLJCIXNKGRLP-UHFFFAOYSA-N 0 0 299.761 3.843 20 10 CHCDRN CCC(=O)Nc1ccc(C)c(NCc2ccccc2O)c1 ZINC000036935616 1131984458 /nfs/dbraw/zinc/98/44/58/1131984458.db2.gz AICBOCJEOZTPIM-UHFFFAOYSA-N 0 0 284.359 3.661 20 10 CHCDRN CCN(CC)c1ccc(N[C@@H](C)c2ccccc2O)cn1 ZINC000037003693 1131988466 /nfs/dbraw/zinc/98/84/66/1131988466.db2.gz UEZPIIXDZOXSMI-ZDUSSCGKSA-N 0 0 285.391 3.807 20 10 CHCDRN C[C@@H](NC(=O)C1=CC[C@H](C)CC1)c1ccc(N(C)C)cc1 ZINC000836782662 1131992532 /nfs/dbraw/zinc/99/25/32/1131992532.db2.gz CFZOOPFOLRNWQG-UONOGXRCSA-N 0 0 286.419 3.676 20 10 CHCDRN Cc1cc(C[N@@H+]2CCc3cccc(O)c3C2)ccc1Cl ZINC001141236486 1132054276 /nfs/dbraw/zinc/05/42/76/1132054276.db2.gz SJHZLLGROPIKKE-UHFFFAOYSA-N 0 0 287.790 3.912 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cccc(Cl)c1[O-] ZINC000806140656 1132115436 /nfs/dbraw/zinc/11/54/36/1132115436.db2.gz LSHFZMDGZBPDHR-BXUZGUMPSA-N 0 0 299.842 3.883 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000839542948 1132222429 /nfs/dbraw/zinc/22/24/29/1132222429.db2.gz WTWNCYDNKKNXHC-APWZRJJASA-N 0 0 295.382 3.544 20 10 CHCDRN CCC(C)(C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839918949 1132239909 /nfs/dbraw/zinc/23/99/09/1132239909.db2.gz ONLAAKJUNABKJX-CQSZACIVSA-N 0 0 290.451 3.544 20 10 CHCDRN C[C@H](Nc1ncc2c(n1)CCCC2)c1ccc(N(C)C)cc1 ZINC000840289017 1132254415 /nfs/dbraw/zinc/25/44/15/1132254415.db2.gz PJYJMEBQAXZUIU-ZDUSSCGKSA-N 0 0 296.418 3.595 20 10 CHCDRN C[C@@H](Nc1ncc2c(n1)CCCC2)c1ccc(N(C)C)cc1 ZINC000840289016 1132254505 /nfs/dbraw/zinc/25/45/05/1132254505.db2.gz PJYJMEBQAXZUIU-CYBMUJFWSA-N 0 0 296.418 3.595 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(F)cc(F)c1[O-] ZINC000840821380 1132290277 /nfs/dbraw/zinc/29/02/77/1132290277.db2.gz PUZKUORMQPBOCC-HNCHUZPSSA-N 0 0 267.319 3.510 20 10 CHCDRN C[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1cc(F)cc(F)c1[O-] ZINC000840876893 1132301106 /nfs/dbraw/zinc/30/11/06/1132301106.db2.gz QKXYSQNEZSMZNT-SNVBAGLBSA-N 0 0 299.361 3.526 20 10 CHCDRN Cc1cc(Cl)cc([C@H](C)N[C@H](C)c2csnn2)c1O ZINC000840886141 1132301734 /nfs/dbraw/zinc/30/17/34/1132301734.db2.gz PLTHLMVMKTZCTN-DTWKUNHWSA-N 0 0 297.811 3.617 20 10 CHCDRN Cc1cc(O)c(CNc2ccc3c(c2)COC3)c(Cl)c1 ZINC000840908006 1132309051 /nfs/dbraw/zinc/30/90/51/1132309051.db2.gz MEFCWPSUAIZESN-UHFFFAOYSA-N 0 0 289.762 3.996 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNc1cccc(CCCO)c1 ZINC000840937254 1132309453 /nfs/dbraw/zinc/30/94/53/1132309453.db2.gz RCAIFNHNOKZHIQ-UHFFFAOYSA-N 0 0 298.430 3.598 20 10 CHCDRN CC(=O)Nc1ccc(NCc2ccc(N(C)C)cc2C)cc1 ZINC000840925772 1132310197 /nfs/dbraw/zinc/31/01/97/1132310197.db2.gz JMOHPOTWWLWSSC-UHFFFAOYSA-N 0 0 297.402 3.632 20 10 CHCDRN Cc1cccc(CN(C)Cc2csc(C(C)C)n2)c1O ZINC001231594162 1132321458 /nfs/dbraw/zinc/32/14/58/1132321458.db2.gz UOUCXIXZTVIXGB-UHFFFAOYSA-N 0 0 290.432 3.913 20 10 CHCDRN C[C@H]1CCN(C(=O)Nc2ccc(N)cc2)[C@H](c2ccco2)C1 ZINC000841296653 1132342921 /nfs/dbraw/zinc/34/29/21/1132342921.db2.gz WHAQJPWSSXLFMH-WFASDCNBSA-N 0 0 299.374 3.867 20 10 CHCDRN Cc1cccc([C@@H]2CCN(C(=O)Nc3ccc(N)cc3)C2)c1 ZINC000841295787 1132342930 /nfs/dbraw/zinc/34/29/30/1132342930.db2.gz GHNOWUAPRMCQHG-OAHLLOKOSA-N 0 0 295.386 3.599 20 10 CHCDRN CCCC[C@@H](CCC)CNC(=O)Nc1ccc(N)cc1 ZINC000841299761 1132343215 /nfs/dbraw/zinc/34/32/15/1132343215.db2.gz JNDAUVPCQBBEON-CYBMUJFWSA-N 0 0 277.412 3.997 20 10 CHCDRN CC(C)[C@@H]1CCC[C@H](NC(=O)Nc2ccc(N)cc2)CC1 ZINC000841296574 1132343274 /nfs/dbraw/zinc/34/32/74/1132343274.db2.gz VTUYYFJPOKUTKW-HIFRSBDPSA-N 0 0 289.423 3.995 20 10 CHCDRN CCC[C@@H]1[C@@H](C)CCCN1C(=O)Nc1ccc(N)cc1 ZINC000841299874 1132343369 /nfs/dbraw/zinc/34/33/69/1132343369.db2.gz LDWYLQXIUYXGIQ-SWLSCSKDSA-N 0 0 275.396 3.701 20 10 CHCDRN C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)Nc2ccc(N)cc2)C1 ZINC000841298800 1132343533 /nfs/dbraw/zinc/34/35/33/1132343533.db2.gz HBCPKNXUMNKJNO-DYVFJYSZSA-N 0 0 295.386 3.884 20 10 CHCDRN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841301750 1132343971 /nfs/dbraw/zinc/34/39/71/1132343971.db2.gz YGGGLHGWOGLSIJ-BBRMVZONSA-N 0 0 289.423 3.995 20 10 CHCDRN CCC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841300565 1132344032 /nfs/dbraw/zinc/34/40/32/1132344032.db2.gz SAGWMMSJOVCEOH-SWLSCSKDSA-N 0 0 275.396 3.749 20 10 CHCDRN Nc1ccc(NC(=O)N2CCC[C@H]2Cc2ccccc2)cc1 ZINC000841302339 1132344234 /nfs/dbraw/zinc/34/42/34/1132344234.db2.gz UOEFRXRZTBLNOF-KRWDZBQOSA-N 0 0 295.386 3.508 20 10 CHCDRN CC[C@H](Cc1ccccc1)N(C)C(=O)Nc1ccc(N)cc1 ZINC000841300928 1132344564 /nfs/dbraw/zinc/34/45/64/1132344564.db2.gz XCRCUWNRNFKHON-QGZVFWFLSA-N 0 0 297.402 3.754 20 10 CHCDRN CC(C)CN(Cc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000841301381 1132344776 /nfs/dbraw/zinc/34/47/76/1132344776.db2.gz NARCWQRYWFFPEU-UHFFFAOYSA-N 0 0 297.402 3.959 20 10 CHCDRN Cc1cc(C)c(CN2CCC[C@H](F)C(F)(F)C2)c(O)c1 ZINC001231843000 1132377012 /nfs/dbraw/zinc/37/70/12/1132377012.db2.gz RRERKDRDTOFERK-AWEZNQCLSA-N 0 0 287.325 3.578 20 10 CHCDRN COc1cccc2c1C[N@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001231850094 1132378176 /nfs/dbraw/zinc/37/81/76/1132378176.db2.gz ZSEDZYPSWSDACI-UHFFFAOYSA-N 0 0 283.371 3.533 20 10 CHCDRN Cc1cc(C)c(C[N@H+](C)Cc2cccc(F)c2F)c(O)c1 ZINC001231849170 1132378949 /nfs/dbraw/zinc/37/89/49/1132378949.db2.gz PGHBXVPHKPILSB-UHFFFAOYSA-N 0 0 291.341 3.919 20 10 CHCDRN Cc1cc(O)c(C[N@@H+]2CCCC[C@@H](F)C2)cc1Cl ZINC001231868331 1132384126 /nfs/dbraw/zinc/38/41/26/1132384126.db2.gz TYDYSAIEMOUMPX-GFCCVEGCSA-N 0 0 271.763 3.678 20 10 CHCDRN C[C@H]([NH2+]CCCc1ccccn1)c1ccc(Cl)cc1[O-] ZINC000841747393 1132388863 /nfs/dbraw/zinc/38/88/63/1132388863.db2.gz ARGIDTFVNMKYLX-LBPRGKRZSA-N 0 0 290.794 3.724 20 10 CHCDRN COCCCCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841746329 1132390089 /nfs/dbraw/zinc/39/00/89/1132390089.db2.gz DOEASXHCQCVFAH-NSHDSACASA-N 0 0 271.788 3.513 20 10 CHCDRN CCOCCC1(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841750851 1132390708 /nfs/dbraw/zinc/39/07/08/1132390708.db2.gz JSCVEAOLQHCIOB-LBPRGKRZSA-N 0 0 297.826 3.903 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841751143 1132391011 /nfs/dbraw/zinc/39/10/11/1132391011.db2.gz LNSIOTOUAHSABV-LSCVPOLPSA-N 0 0 283.799 3.652 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841751806 1132391300 /nfs/dbraw/zinc/39/13/00/1132391300.db2.gz KOJXJDJWYLEHPC-YNZJMPHRSA-N 0 0 295.810 3.654 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C1CCC1 ZINC000841752907 1132391336 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COC1CCC([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841757978 1132395383 /nfs/dbraw/zinc/39/53/83/1132395383.db2.gz QPWKNZMEYJDUBR-QFWMXSHPSA-N 0 0 283.799 3.654 20 10 CHCDRN C[C@@H]([NH2+][C@H](CO)CC1CCCCC1)c1ccc(F)cc1[O-] ZINC000841763002 1132396905 /nfs/dbraw/zinc/39/69/05/1132396905.db2.gz SVZSIRNCWMXDJX-DOMZBBRYSA-N 0 0 295.398 3.513 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC12CCCCC2 ZINC001231909300 1132399954 /nfs/dbraw/zinc/39/99/54/1132399954.db2.gz ALGUQKPQMKITAA-UHFFFAOYSA-N 0 0 265.784 3.954 20 10 CHCDRN ClC1(Cl)C[C@@H]1CCSc1nccs1 ZINC000842548271 1132439662 /nfs/dbraw/zinc/43/96/62/1132439662.db2.gz ODUBLWIVWUUVQV-LURJTMIESA-N 0 0 254.207 3.819 20 10 CHCDRN COc1cc(O)c(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)cc1Cl ZINC001232267783 1132447888 /nfs/dbraw/zinc/44/78/88/1132447888.db2.gz IXNUMNPLYOPKEG-NWDGAFQWSA-N 0 0 295.810 3.676 20 10 CHCDRN Cc1c(NCc2cc(Cl)ccc2O)n[nH]c1C(C)C ZINC000842748640 1132458360 /nfs/dbraw/zinc/45/83/60/1132458360.db2.gz FFLDERYQUNQCFQ-UHFFFAOYSA-N 0 0 279.771 3.813 20 10 CHCDRN C[C@H]([NH2+]CC1CCC(F)CC1)c1cc(F)cc(F)c1[O-] ZINC000842927723 1132476301 /nfs/dbraw/zinc/47/63/01/1132476301.db2.gz GAFTUGQJNCSJEF-WHXUTIOJSA-N 0 0 287.325 3.849 20 10 CHCDRN CC[N@H+](Cc1ccccc1O)Cc1c(C)cccc1F ZINC001232484083 1132478363 /nfs/dbraw/zinc/47/83/63/1132478363.db2.gz VBVKWBVNXDBVOK-UHFFFAOYSA-N 0 0 273.351 3.862 20 10 CHCDRN C/C(=C/C(=O)N[C@H](C)c1ccccc1O)c1ccc(F)cc1 ZINC001151885786 1132574210 /nfs/dbraw/zinc/57/42/10/1132574210.db2.gz HEJYTHVNTQRKCZ-YLGBQOPLSA-N 0 0 299.345 3.812 20 10 CHCDRN C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](C)c1ccccc1O ZINC001151885959 1132574980 /nfs/dbraw/zinc/57/49/80/1132574980.db2.gz OVIYVTSEOVYADQ-XZHRJIJLSA-N 0 0 299.345 3.812 20 10 CHCDRN CN(C)c1ccc(C[N@H+](C)Cc2ccc([S-])cc2)cc1 ZINC001233262824 1132593282 /nfs/dbraw/zinc/59/32/82/1132593282.db2.gz WPQHOMDJEDDLIS-UHFFFAOYSA-N 0 0 286.444 3.673 20 10 CHCDRN CN(Cc1nccs1)Cc1cc(C(C)(C)C)ccc1O ZINC001233287159 1132597999 /nfs/dbraw/zinc/59/79/99/1132597999.db2.gz 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Cc1csc2nc(C)nc(NCc3ccc(N)cc3)c12 ZINC001162787826 1133112397 /nfs/dbraw/zinc/11/23/97/1133112397.db2.gz RLXQGEGBIOQERL-UHFFFAOYSA-N 0 0 284.388 3.502 20 10 CHCDRN CSc1ccc2ncnc(NCc3ccc(N)cc3)c2c1 ZINC001162790061 1133112469 /nfs/dbraw/zinc/11/24/69/1133112469.db2.gz QEHWAMCHVSCNFD-UHFFFAOYSA-N 0 0 296.399 3.546 20 10 CHCDRN CC(C)(C)OC(=O)c1ccc(CNc2ccc(O)cc2)cc1 ZINC001162839356 1133116282 /nfs/dbraw/zinc/11/62/82/1133116282.db2.gz IKFVFBBBDYFXID-UHFFFAOYSA-N 0 0 299.370 3.960 20 10 CHCDRN CN(Cc1ccccc1O)c1cc(C2CC2)nc(C2CC2)n1 ZINC001162838435 1133116685 /nfs/dbraw/zinc/11/66/85/1133116685.db2.gz OPZYOTWDCUFNFP-UHFFFAOYSA-N 0 0 295.386 3.573 20 10 CHCDRN CSc1cc(F)ccc1NC(=O)C1=CC(=O)CS1 ZINC001162984771 1133125678 /nfs/dbraw/zinc/12/56/78/1133125678.db2.gz SMRXMRDLUJAPPN-UHFFFAOYSA-N 0 0 283.349 3.567 20 10 CHCDRN Cc1ccc(Nc2cnoc2)c(C(=O)c2ccccc2)c1 ZINC001203245813 1133307600 /nfs/dbraw/zinc/30/76/00/1133307600.db2.gz YZBCDSHCPIMMRJ-UHFFFAOYSA-N 0 0 278.311 3.958 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001203586190 1133342546 /nfs/dbraw/zinc/34/25/46/1133342546.db2.gz NFPBHGATLHVRSA-QPUJVOFHSA-N 0 0 272.175 3.683 20 10 CHCDRN COc1ccc(C[N@H+]2Cc3ccccc3[C@@H](C)C2)c(O)c1 ZINC001203620392 1133345429 /nfs/dbraw/zinc/34/54/29/1133345429.db2.gz DAXDQGCXJCMELO-ZDUSSCGKSA-N 0 0 283.371 3.520 20 10 CHCDRN C[N@H+](CCc1ccc(F)cc1)Cc1cc(Cl)ccc1O ZINC001203663966 1133350715 /nfs/dbraw/zinc/35/07/15/1133350715.db2.gz IHHZSPLMCCOMNY-UHFFFAOYSA-N 0 0 293.769 3.859 20 10 CHCDRN CC[C@H]1C[C@H](C)C[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC001204769443 1133483446 /nfs/dbraw/zinc/48/34/46/1133483446.db2.gz UVDDDTFGXJXQDC-UWVGGRQHSA-N 0 0 271.763 3.805 20 10 CHCDRN CC(C)[C@@H]1[N@H+](Cc2cc(F)c(F)cc2[O-])CC1(C)C ZINC001206040246 1133645845 /nfs/dbraw/zinc/64/58/45/1133645845.db2.gz PNALVZLRWLTMNX-AWEZNQCLSA-N 0 0 269.335 3.537 20 10 CHCDRN C[C@@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)[C@@H](C)[C@H]1C ZINC001206342872 1133692751 /nfs/dbraw/zinc/69/27/51/1133692751.db2.gz 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/nfs/dbraw/zinc/06/32/37/1134063237.db2.gz WKRMPOMMCNOWMS-UHFFFAOYSA-N 0 0 290.750 3.897 20 10 CHCDRN Cc1cc2nsnc2cc1Nc1ccc2c(c1)OCCN2 ZINC001209788316 1134065108 /nfs/dbraw/zinc/06/51/08/1134065108.db2.gz AGTIWXBQFPZZQX-UHFFFAOYSA-N 0 0 298.371 3.548 20 10 CHCDRN COc1cc(Cl)ccc1Nc1cccc(O)c1O ZINC001209907512 1134099820 /nfs/dbraw/zinc/09/98/20/1134099820.db2.gz RHDIFQRDCRZOOH-UHFFFAOYSA-N 0 0 265.696 3.503 20 10 CHCDRN Oc1cccc(Nc2ccc(C(F)(F)F)c(F)c2)c1O ZINC001209913815 1134100609 /nfs/dbraw/zinc/10/06/09/1134100609.db2.gz WHPDCRHEMGMBKR-UHFFFAOYSA-N 0 0 287.212 3.999 20 10 CHCDRN Cc1cc(Cl)cc(N(CCO)c2ccc(N)cc2)c1F ZINC001210027698 1134126443 /nfs/dbraw/zinc/12/64/43/1134126443.db2.gz XHXHBRGPDISURK-UHFFFAOYSA-N 0 0 294.757 3.500 20 10 CHCDRN O=C(c1ccncc1)c1ccccc1Nc1nccs1 ZINC001210996255 1134346552 /nfs/dbraw/zinc/34/65/52/1134346552.db2.gz ITXWRULDAZDIIW-UHFFFAOYSA-N 0 0 281.340 3.513 20 10 CHCDRN Nc1ccc(Nc2ccc3c(c2)CCCC3=O)cc1 ZINC001213104920 1134427549 /nfs/dbraw/zinc/42/75/49/1134427549.db2.gz LOEPEINMYVBQQM-UHFFFAOYSA-N 0 0 252.317 3.531 20 10 CHCDRN Cc1ncc(C2CC2)cc1N(C)c1ccc(N)cc1 ZINC001213501137 1134456683 /nfs/dbraw/zinc/45/66/83/1134456683.db2.gz JQDSUFCCFAPVIB-UHFFFAOYSA-N 0 0 253.349 3.618 20 10 CHCDRN CN(c1ccc(N)cc1)c1ccc(N2CCCC2)cc1F ZINC001213853234 1134491453 /nfs/dbraw/zinc/49/14/53/1134491453.db2.gz HSMWCDIACLHVRA-UHFFFAOYSA-N 0 0 285.366 3.776 20 10 CHCDRN Cc1ccc(Nc2nc(-c3ccncc3)cs2)c(CO)c1 ZINC001214449573 1134539340 /nfs/dbraw/zinc/53/93/40/1134539340.db2.gz VXDVOYWVILQNLO-UHFFFAOYSA-N 0 0 297.383 3.749 20 10 CHCDRN CSc1ccc(F)cc1Nc1cccc(O)c1O ZINC001215450718 1134628853 /nfs/dbraw/zinc/62/88/53/1134628853.db2.gz CEGJILJSIZRGST-UHFFFAOYSA-N 0 0 265.309 3.702 20 10 CHCDRN COCc1cc(C)c(N(C)c2ccc(N)cc2)c(C)c1 ZINC001215532476 1134639189 /nfs/dbraw/zinc/63/91/89/1134639189.db2.gz HOFHXOVGMRXLTI-UHFFFAOYSA-N 0 0 270.376 3.800 20 10 CHCDRN CCCOc1ccc(C)c(Nc2cccc(O)c2O)c1 ZINC001215588662 1134649175 /nfs/dbraw/zinc/64/91/75/1134649175.db2.gz KLPIUQHUMPRGJT-UHFFFAOYSA-N 0 0 273.332 3.939 20 10 CHCDRN CCOc1cc(C)cc(F)c1N(C)c1ccc(N)cc1 ZINC001216368567 1134869655 /nfs/dbraw/zinc/86/96/55/1134869655.db2.gz WDNRGHBCZOQBDR-UHFFFAOYSA-N 0 0 274.339 3.883 20 10 CHCDRN C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(N(C)C)cc1 ZINC000404819784 1134949498 /nfs/dbraw/zinc/94/94/98/1134949498.db2.gz CTULFPRWUMZHSG-CYBMUJFWSA-N 0 0 297.377 3.614 20 10 CHCDRN O=C1C[C@H](Oc2ccc(/N=N/c3ccccc3)cc2)CCN1 ZINC001218206354 1135069333 /nfs/dbraw/zinc/06/93/33/1135069333.db2.gz DWQFVXWMEBCLQO-ZBBYCGENSA-N 0 0 295.342 3.759 20 10 CHCDRN O=C1C=CC(=NNc2ccccc2)C(OC2CC(O)C2)=C1 ZINC001218259761 1135076557 /nfs/dbraw/zinc/07/65/57/1135076557.db2.gz JXQAOYHIAXITJO-ISLYRVAYSA-N 0 0 284.315 3.710 20 10 CHCDRN CCOc1ccc([C@@H](C)Oc2ccc(N)cc2)cc1 ZINC001218305014 1135082370 /nfs/dbraw/zinc/08/23/70/1135082370.db2.gz NARYIYZADHURJW-GFCCVEGCSA-N 0 0 257.333 3.808 20 10 CHCDRN CC[C@@H](C)[C@H](C(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC000297159370 529409213 /nfs/dbraw/zinc/40/92/13/529409213.db2.gz JPNNSLWNBPKWIC-KDOFPFPSSA-N 0 0 296.414 3.715 20 10 CHCDRN Cc1cccc(CNc2ccc(Cl)nc2C)c1O ZINC000083457680 178474811 /nfs/dbraw/zinc/47/48/11/178474811.db2.gz VJRROLRSEAEMFO-UHFFFAOYSA-N 0 0 262.740 3.670 20 10 CHCDRN Cc1cc(C)c([C@H](C)Nc2ccc(CCO)cc2)c(O)c1 ZINC000294647458 224492787 /nfs/dbraw/zinc/49/27/87/224492787.db2.gz GNNRFJUBGQNXJJ-AWEZNQCLSA-N 0 0 285.387 3.717 20 10 CHCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000035733124 172384935 /nfs/dbraw/zinc/38/49/35/172384935.db2.gz ZXLPRMNRZGSQFW-SSDOTTSWSA-N 0 0 260.164 3.587 20 10 CHCDRN COc1cc(C)c(N[C@@H]2CCc3cccc(O)c32)cc1OC ZINC000296750074 224658031 /nfs/dbraw/zinc/65/80/31/224658031.db2.gz JRJFTZHDRXHFRD-CYBMUJFWSA-N 0 0 299.370 3.817 20 10 CHCDRN COCC[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000081709679 260184589 /nfs/dbraw/zinc/18/45/89/260184589.db2.gz NLFSGZKLPMSMSR-STQMWFEESA-N 0 0 273.376 3.621 20 10 CHCDRN COc1cccc(C[N@H+](C)[C@@H](C)c2cccs2)c1O ZINC000157838985 261153843 /nfs/dbraw/zinc/15/38/43/261153843.db2.gz JKUFLKISSGETRW-NSHDSACASA-N 0 0 277.389 3.655 20 10 CHCDRN COc1cccc(C[N@H+](C)[C@H](C)c2cccs2)c1O ZINC000157839130 261154239 /nfs/dbraw/zinc/15/42/39/261154239.db2.gz JKUFLKISSGETRW-LLVKDONJSA-N 0 0 277.389 3.655 20 10 CHCDRN c1csc(SCc2noc(C3CCCCC3)n2)n1 ZINC000159646718 261190212 /nfs/dbraw/zinc/19/02/12/261190212.db2.gz QBEFWQFYQHFYAH-UHFFFAOYSA-N 0 0 281.406 3.866 20 10 CHCDRN C[C@H]([NH2+]CCC[C@@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000183981860 262003554 /nfs/dbraw/zinc/00/35/54/262003554.db2.gz HXOQJUXIYSAZJP-JSGCOSHPSA-N 0 0 281.371 3.531 20 10 CHCDRN COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1F ZINC000184927629 262034365 /nfs/dbraw/zinc/03/43/65/262034365.db2.gz ONYCCXRMOZXNPX-JTQLQIEISA-N 0 0 293.313 3.530 20 10 CHCDRN CO[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000185101769 262040865 /nfs/dbraw/zinc/04/08/65/262040865.db2.gz MBRWMFRRESYQKM-PXAZEXFGSA-N 0 0 289.350 3.570 20 10 CHCDRN Cc1cc(-c2nnc(NCc3cc(C)ccc3O)o2)c(C)o1 ZINC000186025635 262076321 /nfs/dbraw/zinc/07/63/21/262076321.db2.gz VESUQBAHAAJFDK-UHFFFAOYSA-N 0 0 299.330 3.573 20 10 CHCDRN COc1ccsc1[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000186086068 262079137 /nfs/dbraw/zinc/07/91/37/262079137.db2.gz TUUKKHKDQPXTRZ-LBPRGKRZSA-N 0 0 290.432 3.674 20 10 CHCDRN CCOCCC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCC1 ZINC000186115931 262079816 /nfs/dbraw/zinc/07/98/16/262079816.db2.gz DIQNVMNVZGCIQT-ZDUSSCGKSA-N 0 0 295.398 3.779 20 10 CHCDRN CCOCCC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CCC1 ZINC000186115948 262080282 /nfs/dbraw/zinc/08/02/82/262080282.db2.gz DIQNVMNVZGCIQT-CYBMUJFWSA-N 0 0 295.398 3.779 20 10 CHCDRN CC(C)OCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000186642440 262103570 /nfs/dbraw/zinc/10/35/70/262103570.db2.gz AHAADYGOGSMPSI-SECBINFHSA-N 0 0 292.206 3.775 20 10 CHCDRN Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)c2nccs2)c1 ZINC000186727367 262322465 /nfs/dbraw/zinc/32/24/65/262322465.db2.gz QHJJXZNQKUQFKX-NWDGAFQWSA-N 0 0 276.405 3.611 20 10 CHCDRN CC[N@H+](Cc1cccs1)Cc1cccc(F)c1[O-] ZINC000272287859 263003239 /nfs/dbraw/zinc/00/32/39/263003239.db2.gz NRUDCNPADKVZOO-UHFFFAOYSA-N 0 0 265.353 3.615 20 10 CHCDRN C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185351663 327838261 /nfs/dbraw/zinc/83/82/61/327838261.db2.gz USSFMZHWPPYQME-VXGBXAGGSA-N 0 0 289.350 3.519 20 10 CHCDRN CC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185802327 327845608 /nfs/dbraw/zinc/84/56/08/327845608.db2.gz RZKLFMXPGDQSOK-DTWKUNHWSA-N 0 0 292.206 3.511 20 10 CHCDRN CC[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1cccc(Cl)c1[O-] ZINC000528003747 330300337 /nfs/dbraw/zinc/30/03/37/330300337.db2.gz CHQIYVBKPQGDMS-HKWCOGSCSA-N 0 0 297.826 3.898 20 10 CHCDRN CN(C(=O)/C=C\c1cncs1)c1ccc(F)c(Cl)c1 ZINC000493819131 331311914 /nfs/dbraw/zinc/31/19/14/331311914.db2.gz UCIBHWYNHLDRPW-HYXAFXHYSA-N 0 0 296.754 3.612 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNc1ncccc1C ZINC000468069233 331427953 /nfs/dbraw/zinc/42/79/53/331427953.db2.gz OZEHEXKWRGEQFV-UHFFFAOYSA-N 0 0 265.360 3.802 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000471235177 331504445 /nfs/dbraw/zinc/50/44/45/331504445.db2.gz RCARIXYHDLTAPE-HNAYVOBHSA-N 0 0 298.430 3.785 20 10 CHCDRN CCCN(C(=O)NCc1c(C)c2ccccc2n1C)C1CC1 ZINC000472236552 331532890 /nfs/dbraw/zinc/53/28/90/331532890.db2.gz DFKGCGLPTCXYFX-UHFFFAOYSA-N 0 0 299.418 3.571 20 10 CHCDRN CCN(CC)c1ccc(CNCc2ncc(C)s2)cc1 ZINC000230686729 333320832 /nfs/dbraw/zinc/32/08/32/333320832.db2.gz FKXGIBLWPZODQH-UHFFFAOYSA-N 0 0 289.448 3.588 20 10 CHCDRN C/C(=C\C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000298828423 518419251 /nfs/dbraw/zinc/41/92/51/518419251.db2.gz UEPTVSUIJOMEMU-WYMLVPIESA-N 0 0 298.430 3.600 20 10 CHCDRN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000037007159 518936591 /nfs/dbraw/zinc/93/65/91/518936591.db2.gz DKAOUYIGTDIRDZ-CVEARBPZSA-N 0 0 288.435 3.532 20 10 CHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CCCC1 ZINC000298328098 519654475 /nfs/dbraw/zinc/65/44/75/519654475.db2.gz GVYCOFYBGPIEFM-UHFFFAOYSA-N 0 0 288.435 3.680 20 10 CHCDRN CC/C=C(\C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298952259 520187215 /nfs/dbraw/zinc/18/72/15/520187215.db2.gz FSUSIDHAXWHYPD-MKMNVTDBSA-N 0 0 286.419 3.600 20 10 CHCDRN CCOc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000273422124 521006102 /nfs/dbraw/zinc/00/61/02/521006102.db2.gz SMEZBBDFWIHVLE-LBPRGKRZSA-N 0 0 289.350 3.781 20 10 CHCDRN CCOc1ccc(N(CC)Cc2nnc(C(C)C)o2)cc1 ZINC000263960205 521028470 /nfs/dbraw/zinc/02/84/70/521028470.db2.gz OJPGXPJGVDTFNN-UHFFFAOYSA-N 0 0 289.379 3.618 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)c1cc[nH]c1C1CC1 ZINC000284738072 521689998 /nfs/dbraw/zinc/68/99/98/521689998.db2.gz HDBUVLJDRFBQFM-UHFFFAOYSA-N 0 0 298.386 3.650 20 10 CHCDRN CC[C@H]([NH2+]CC(C)(C)CCCO)c1cccc(Cl)c1[O-] ZINC000287684149 522570393 /nfs/dbraw/zinc/57/03/93/522570393.db2.gz MUYQYOLDDFCALK-AWEZNQCLSA-N 0 0 299.842 3.885 20 10 CHCDRN CC[C@H]1CCCC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000280075263 523052106 /nfs/dbraw/zinc/05/21/06/523052106.db2.gz XQVANMPWBYVVQM-DZGCQCFKSA-N 0 0 275.392 3.567 20 10 CHCDRN COCc1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000296789600 523078975 /nfs/dbraw/zinc/07/89/75/523078975.db2.gz LBZCUICXLSBAMF-OAHLLOKOSA-N 0 0 269.344 3.638 20 10 CHCDRN COc1ccc(N[C@H](C)c2ccc(F)cc2O)cc1OC ZINC000062744801 524707558 /nfs/dbraw/zinc/70/75/58/524707558.db2.gz HEBAPLMNEMFDLJ-SNVBAGLBSA-N 0 0 291.322 3.722 20 10 CHCDRN C[C@@H]1CCc2c(C(=O)Nc3ccc(N)cc3)csc2C1 ZINC000237438870 524724272 /nfs/dbraw/zinc/72/42/72/524724272.db2.gz ITWPMHSWAPEVIK-SNVBAGLBSA-N 0 0 286.400 3.707 20 10 CHCDRN Cc1ccc(F)c(C(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000263929888 524800909 /nfs/dbraw/zinc/80/09/09/524800909.db2.gz SWKBHZULRQNTTC-UHFFFAOYSA-N 0 0 298.361 3.987 20 10 CHCDRN CSC1(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CCC1 ZINC000279199543 525335940 /nfs/dbraw/zinc/33/59/40/525335940.db2.gz XFPMLTIWDIJMJA-VIFPVBQESA-N 0 0 287.375 3.607 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278803974 525608145 /nfs/dbraw/zinc/60/81/45/525608145.db2.gz RKDGKZIWFBULDG-IUCAKERBSA-N 0 0 290.190 3.529 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNc1nnc(C(C)C)o1 ZINC000279309452 525974329 /nfs/dbraw/zinc/97/43/29/525974329.db2.gz DZUCEFHGKZYUQN-UHFFFAOYSA-N 0 0 284.363 3.605 20 10 CHCDRN COc1cccc(CNc2ccc(C3CCC3)cn2)c1O ZINC000292889292 526042403 /nfs/dbraw/zinc/04/24/03/526042403.db2.gz CUTROLCLTJQPLN-UHFFFAOYSA-N 0 0 284.359 3.675 20 10 CHCDRN Cc1ccc([N+](=O)[O-])c(NCc2ccc(N(C)C)cc2)c1 ZINC000157392936 526061990 /nfs/dbraw/zinc/06/19/90/526061990.db2.gz QAFSIYHGSLGTFG-UHFFFAOYSA-N 0 0 285.347 3.581 20 10 CHCDRN [O-]c1c(F)cccc1C[NH2+]Cc1ccc(C2CC2)cc1F ZINC000292868650 526330403 /nfs/dbraw/zinc/33/04/03/526330403.db2.gz WELTYWIOGPFTGQ-UHFFFAOYSA-N 0 0 289.325 3.838 20 10 CHCDRN Oc1cccc(Cl)c1CNCc1nc(C2CC2)cs1 ZINC000131117200 526364608 /nfs/dbraw/zinc/36/46/08/526364608.db2.gz LPUAGKATDCNSLC-UHFFFAOYSA-N 0 0 294.807 3.669 20 10 CHCDRN CC(C)c1ccc([C@@H](C)NC(=O)Cc2ccc(N)cc2)cc1 ZINC000192772510 528128436 /nfs/dbraw/zinc/12/84/36/528128436.db2.gz PWFTXCCCWYTXKY-CQSZACIVSA-N 0 0 296.414 3.812 20 10 CHCDRN CCN(CC)c1ccc(CNc2ncccc2F)cc1F ZINC000301591747 528309274 /nfs/dbraw/zinc/30/92/74/528309274.db2.gz UHTROZCKYYANQG-UHFFFAOYSA-N 0 0 291.345 3.818 20 10 CHCDRN COc1ccc(CN[C@@H](C)c2nc(C)cs2)cc1C ZINC000069168369 1118227100 /nfs/dbraw/zinc/22/71/00/1118227100.db2.gz CKHABVFRJZAYND-LBPRGKRZSA-N 0 0 276.405 3.619 20 10 CHCDRN COc1ccc(N(C)CC2CC=CC2)cc1Cl ZINC001167882176 1121221628 /nfs/dbraw/zinc/22/16/28/1121221628.db2.gz VSDDCBKMEIUMKV-UHFFFAOYSA-N 0 0 251.757 3.751 20 10 CHCDRN O=C(C1=CC(=O)CS1)N(CC1CCCCC1)C1CC1 ZINC000732274416 1121914578 /nfs/dbraw/zinc/91/45/78/1121914578.db2.gz IMJSRSLAJFLQKM-UHFFFAOYSA-N 0 0 279.405 3.639 20 10 CHCDRN C[C@H]([NH2+][C@H]1C=CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000850510696 1123278086 /nfs/dbraw/zinc/27/80/86/1123278086.db2.gz WNLRUCNEZAEXAC-UWVGGRQHSA-N 0 0 271.282 3.780 20 10 CHCDRN CCC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000124560282 1124773873 /nfs/dbraw/zinc/77/38/73/1124773873.db2.gz RLXCMECMUZDSKU-UHFFFAOYSA-N 0 0 253.773 3.668 20 10 CHCDRN C[N@@H+](Cc1c(O)cccc1Br)C[C@H]1CC1(C)C ZINC001140101086 1131664231 /nfs/dbraw/zinc/66/42/31/1131664231.db2.gz JPQZLKXMTBCJDU-SNVBAGLBSA-N 0 0 298.224 3.633 20 10 CHCDRN Oc1cccc(Nc2ccc(C(F)F)cc2)c1O ZINC001174712363 1132961497 /nfs/dbraw/zinc/96/14/97/1132961497.db2.gz BKTRFEYRDGLCAT-UHFFFAOYSA-N 0 0 251.232 3.779 20 10 CHCDRN C[C@H]([NH2+]C1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000134901780 1125570041 /nfs/dbraw/zinc/57/00/41/1125570041.db2.gz IIARKKOJTKIZHJ-LURJTMIESA-N 0 0 290.588 3.621 20 10 CHCDRN CCC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000134900647 1125570056 /nfs/dbraw/zinc/57/00/56/1125570056.db2.gz RMKKWYPEDXNIBV-ZETCQYMHSA-N 0 0 292.604 3.869 20 10 CHCDRN C[C@@H]([NH2+]CCCc1ccccn1)c1ccc(Cl)cc1[O-] ZINC000841747390 1125574270 /nfs/dbraw/zinc/57/42/70/1125574270.db2.gz ARGIDTFVNMKYLX-GFCCVEGCSA-N 0 0 290.794 3.724 20 10 CHCDRN Cc1ccc(CC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])nc1 ZINC000841752490 1125584153 /nfs/dbraw/zinc/58/41/53/1125584153.db2.gz AZPKZNIMUKGPEH-GFCCVEGCSA-N 0 0 290.794 3.642 20 10 CHCDRN COc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)cc1F ZINC000886497112 1125681523 /nfs/dbraw/zinc/68/15/23/1125681523.db2.gz SWDXTRVHMTYEIO-SNVBAGLBSA-N 0 0 293.313 3.530 20 10 CHCDRN CC(C)n1cc([C@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)cn1 ZINC000886526884 1125684322 /nfs/dbraw/zinc/68/43/22/1125684322.db2.gz ULNWNUIFMJUYMZ-RYUDHWBXSA-N 0 0 291.370 3.721 20 10 CHCDRN Cc1csc([C@H](C)N[C@H](C)c2c(O)cccc2F)n1 ZINC000886522542 1125684497 /nfs/dbraw/zinc/68/44/97/1125684497.db2.gz LXGBWLKJXKAQGM-ZJUUUORDSA-N 0 0 280.368 3.708 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1ccncc1 ZINC000886532786 1125685206 /nfs/dbraw/zinc/68/52/06/1125685206.db2.gz OUJLUUIKPDOWKL-RISCZKNCSA-N 0 0 274.339 3.728 20 10 CHCDRN COC[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886547472 1125688843 /nfs/dbraw/zinc/68/88/43/1125688843.db2.gz LYQJWJPEUIVLCE-IUODEOHRSA-N 0 0 289.350 3.570 20 10 CHCDRN COCC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1ccco1 ZINC000886587537 1125694041 /nfs/dbraw/zinc/69/40/41/1125694041.db2.gz ASIZMIWDSZJWSE-YPMHNXCESA-N 0 0 293.338 3.553 20 10 CHCDRN COCC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccco1 ZINC000886587534 1125694405 /nfs/dbraw/zinc/69/44/05/1125694405.db2.gz ASIZMIWDSZJWSE-AAEUAGOBSA-N 0 0 293.338 3.553 20 10 CHCDRN C[C@H]([NH2+]CCCC(C)(F)F)c1c([O-])cccc1F ZINC000886616150 1125697943 /nfs/dbraw/zinc/69/79/43/1125697943.db2.gz WBSWMQCRGMXQIL-VIFPVBQESA-N 0 0 261.287 3.617 20 10 CHCDRN Cc1cccnc1CCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886618513 1125698657 /nfs/dbraw/zinc/69/86/57/1125698657.db2.gz CQPRHEZGOSCJCM-CYBMUJFWSA-N 0 0 288.366 3.518 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CC12CCSCC2)c1c([O-])cccc1F ZINC000886627991 1125699277 /nfs/dbraw/zinc/69/92/77/1125699277.db2.gz CAGFAGYTHGXOFY-RYUDHWBXSA-N 0 0 295.423 3.715 20 10 CHCDRN C[C@H]([NH2+]CCC1CC(F)(F)C1)c1c([O-])cccc1F ZINC000886623485 1125699619 /nfs/dbraw/zinc/69/96/19/1125699619.db2.gz FGTXGRKNNYXREM-VIFPVBQESA-N 0 0 273.298 3.617 20 10 CHCDRN C[C@H]([NH2+][C@@H](C1CC1)[C@@H]1CCCCO1)c1c([O-])cccc1F ZINC000886632927 1125700611 /nfs/dbraw/zinc/70/06/11/1125700611.db2.gz JSCBKMUTQRQZAW-KCTSRDHCSA-N 0 0 293.382 3.530 20 10 CHCDRN Cc1ccc([C@H](C)Nc2cccc(CCCO)c2)c(O)c1 ZINC000139002232 1125719915 /nfs/dbraw/zinc/71/99/15/1125719915.db2.gz MCISJXBYXMWVIN-AWEZNQCLSA-N 0 0 285.387 3.799 20 10 CHCDRN COc1ccc(N(C)Cc2c(C)noc2C)cc1Cl ZINC000121945085 1125780742 /nfs/dbraw/zinc/78/07/42/1125780742.db2.gz WHTCJQCGORHZHP-UHFFFAOYSA-N 0 0 280.755 3.590 20 10 CHCDRN Cc1cccc(CNc2c(C)cc(N(C)C)cc2C)c1O ZINC000184786075 1129250841 /nfs/dbraw/zinc/25/08/41/1129250841.db2.gz NZNSCFHSNPRNEV-UHFFFAOYSA-N 0 0 284.403 3.996 20 10 CHCDRN CCOc1ccc(N(C)CCOCCC(C)C)cc1 ZINC000740423472 1129413198 /nfs/dbraw/zinc/41/31/98/1129413198.db2.gz HYRWEUHTEHCNLF-UHFFFAOYSA-N 0 0 265.397 3.584 20 10 CHCDRN CCOc1ccc(C)c(C[N@H+](C)Cc2ccccc2O)c1 ZINC001238709868 1131235947 /nfs/dbraw/zinc/23/59/47/1131235947.db2.gz WLJWULHVFONWMP-UHFFFAOYSA-N 0 0 285.387 3.731 20 10 CHCDRN CCCN(Cc1cc(OCC)ccc1O)CC(F)(F)F ZINC000768867122 1129878802 /nfs/dbraw/zinc/87/88/02/1129878802.db2.gz BVEANNCSXUUKQV-UHFFFAOYSA-N 0 0 291.313 3.565 20 10 CHCDRN [O-]c1c(Br)cccc1C[NH2+]C1CCCCCC1 ZINC000042411768 1126760349 /nfs/dbraw/zinc/76/03/49/1126760349.db2.gz FNFPREKRQIUUJL-UHFFFAOYSA-N 0 0 298.224 3.967 20 10 CHCDRN CCOc1ncccc1-c1cccc2c1cc(C)n2C ZINC001240499483 1126811522 /nfs/dbraw/zinc/81/15/22/1126811522.db2.gz YKOGCAZOXAAXSS-UHFFFAOYSA-N 0 0 266.344 3.947 20 10 CHCDRN CCCCC[C@H](C)Oc1cc(O)c(O)cc1C(C)=O ZINC001234473035 1130648030 /nfs/dbraw/zinc/64/80/30/1130648030.db2.gz AHIMIZUWSGESCU-JTQLQIEISA-N 0 0 266.337 3.648 20 10 CHCDRN C[C@H]([NH2+]CCCOC1CCCC1)c1ccc(F)c(F)c1[O-] ZINC000187681891 1126913241 /nfs/dbraw/zinc/91/32/41/1126913241.db2.gz DMGAZBZQXYLORQ-NSHDSACASA-N 0 0 299.361 3.670 20 10 CHCDRN COc1ccc(Cl)c(NCc2cccc(OC)c2O)c1 ZINC000043316483 1126963199 /nfs/dbraw/zinc/96/31/99/1126963199.db2.gz TUYOHGWXWBZHKQ-UHFFFAOYSA-N 0 0 293.750 3.675 20 10 CHCDRN C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(Br)ccc1O ZINC000133737983 1127017863 /nfs/dbraw/zinc/01/78/63/1127017863.db2.gz KUFSYTCQYDTVBE-WDEREUQCSA-N 0 0 298.224 3.775 20 10 CHCDRN CC[C@@H]([NH2+][C@H]1CCCc2cn[nH]c21)c1ccc(N(C)C)cc1 ZINC000271429317 1127080939 /nfs/dbraw/zinc/08/09/39/1127080939.db2.gz AWFGVTZZPMBLSK-SJORKVTESA-N 0 0 298.434 3.594 20 10 CHCDRN Cc1ccc(O)c(CNc2c(C)cc(N(C)C)cc2C)c1 ZINC000760631282 1127081289 /nfs/dbraw/zinc/08/12/89/1127081289.db2.gz BOJKDMOWOBUEGS-UHFFFAOYSA-N 0 0 284.403 3.996 20 10 CHCDRN C[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237078162 1131046366 /nfs/dbraw/zinc/04/63/66/1131046366.db2.gz OSJLFFSSFZUMGK-VIFPVBQESA-N 0 0 274.191 3.931 20 10 CHCDRN CC[C@@H](C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000055316218 1127156959 /nfs/dbraw/zinc/15/69/59/1127156959.db2.gz FVISIFMUXKARLJ-OAHLLOKOSA-N 0 0 288.435 3.681 20 10 CHCDRN CCOc1cccc(C[N@H+]([C@H](C)C(C)C)C2CC2)c1O ZINC000156980488 1127202015 /nfs/dbraw/zinc/20/20/15/1127202015.db2.gz QAZMUKDGLJEXDO-CYBMUJFWSA-N 0 0 277.408 3.800 20 10 CHCDRN CC[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC000224316546 1127258556 /nfs/dbraw/zinc/25/85/56/1127258556.db2.gz SGTUSJFBOLSAOL-QXLXQBSBSA-N 0 0 298.338 3.806 20 10 CHCDRN COCC(C)(C)CCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000286934333 1127275657 /nfs/dbraw/zinc/27/56/57/1127275657.db2.gz GKPDPKFXJRZTMF-GFCCVEGCSA-N 0 0 283.387 3.635 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1cccc(Cl)c1[O-] ZINC000287153819 1127293129 /nfs/dbraw/zinc/29/31/29/1127293129.db2.gz SVFNEJUQVGEOQO-SWHYSGLUSA-N 0 0 283.799 3.511 20 10 CHCDRN COc1ccc(N(CCC(C)C)C[C@H]2CCO[C@H]2C)cc1 ZINC001307740833 1127294989 /nfs/dbraw/zinc/29/49/89/1127294989.db2.gz VDDVSJIRRSNZPU-JKSUJKDBSA-N 0 0 291.435 3.973 20 10 CHCDRN C[C@@H](N[C@H](C1CC1)C(F)(F)F)c1ccc(F)cc1O ZINC000287443381 1127305663 /nfs/dbraw/zinc/30/56/63/1127305663.db2.gz UPGAGURPDHJXJY-JMCQJSRRSA-N 0 0 277.261 3.523 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1cn[nH]c1)c1cccc(Cl)c1[O-] ZINC000287628743 1127311129 /nfs/dbraw/zinc/31/11/29/1127311129.db2.gz KFQPSDBZAMXZLX-RNCFNFMXSA-N 0 0 279.771 3.571 20 10 CHCDRN CC[C@@H]([NH2+]CC[C@H](C)OC)c1cccc(Cl)c1[O-] ZINC000287733340 1127312623 /nfs/dbraw/zinc/31/26/23/1127312623.db2.gz PFQNZRNGYCODMG-GXFFZTMASA-N 0 0 271.788 3.511 20 10 CHCDRN CC(C)Cc1nnc(NCc2c(O)cccc2Cl)s1 ZINC000225938400 1127360419 /nfs/dbraw/zinc/36/04/19/1127360419.db2.gz VFMXQWHFLHEBCH-UHFFFAOYSA-N 0 0 297.811 3.708 20 10 CHCDRN CCCOc1ccc(NCc2cc(F)ccc2O)cc1 ZINC000226617690 1127413337 /nfs/dbraw/zinc/41/33/37/1127413337.db2.gz VRIAXIZWVSPGQD-UHFFFAOYSA-N 0 0 275.323 3.932 20 10 CHCDRN Oc1c(Cl)cccc1CNc1cccc(-n2cccn2)c1 ZINC000158019573 1127414638 /nfs/dbraw/zinc/41/46/38/1127414638.db2.gz JJEVQFOUVFZPRB-UHFFFAOYSA-N 0 0 299.761 3.843 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@H](OC)C1CC1)c1cccc(Cl)c1[O-] ZINC000293573918 1127507104 /nfs/dbraw/zinc/50/71/04/1127507104.db2.gz BNCJBZMRIROFAZ-ZIAGYGMSSA-N 0 0 283.799 3.511 20 10 CHCDRN CC(C)C1(C[NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000227833166 1127508283 /nfs/dbraw/zinc/50/82/83/1127508283.db2.gz NOILLNVCBORIII-UHFFFAOYSA-N 0 0 298.224 3.681 20 10 CHCDRN Cc1cccc(CNc2ccc([C@H]3CCOC3)cc2)c1O ZINC000293670589 1127512276 /nfs/dbraw/zinc/51/22/76/1127512276.db2.gz OUKQOQNWYPKUEM-INIZCTEOSA-N 0 0 283.371 3.817 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228175139 1127537302 /nfs/dbraw/zinc/53/73/02/1127537302.db2.gz AMKSISZJCGELTM-BXUZGUMPSA-N 0 0 265.784 3.810 20 10 CHCDRN Cc1cccc(CNc2cccc(C3CC3)n2)c1O ZINC000294063235 1127546144 /nfs/dbraw/zinc/54/61/44/1127546144.db2.gz XXFXGWSALPVJPS-UHFFFAOYSA-N 0 0 254.333 3.585 20 10 CHCDRN CC[N@H+](CCC1CC1)Cc1cc(Cl)cc(F)c1[O-] ZINC000761225762 1127550174 /nfs/dbraw/zinc/55/01/74/1127550174.db2.gz IEWZVDYBWUDUSY-UHFFFAOYSA-N 0 0 271.763 3.807 20 10 CHCDRN CSc1ccc(N(C)Cc2cc(F)ccc2O)cc1 ZINC000761224376 1127551201 /nfs/dbraw/zinc/55/12/01/1127551201.db2.gz YSALAGOKLYNKNF-UHFFFAOYSA-N 0 0 277.364 3.890 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)CCCCO)c1cccc(Cl)c1[O-] ZINC000296419308 1127671882 /nfs/dbraw/zinc/67/18/82/1127671882.db2.gz LGVAJLFECKXRBP-FZMZJTMJSA-N 0 0 285.815 3.637 20 10 CHCDRN CC[C@H]([NH2+]CCC(C)(F)F)c1ccc(F)cc1[O-] ZINC000297379748 1127694518 /nfs/dbraw/zinc/69/45/18/1127694518.db2.gz QYHJYSUPURNYMU-NSHDSACASA-N 0 0 261.287 3.617 20 10 CHCDRN CC(C)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298339258 1127719783 /nfs/dbraw/zinc/71/97/83/1127719783.db2.gz IXXHQGJMEIVJJP-UHFFFAOYSA-N 0 0 276.424 3.536 20 10 CHCDRN CCc1ccc(CCC(=O)N(C)Cc2ccccc2O)cc1 ZINC000298799504 1127732653 /nfs/dbraw/zinc/73/26/53/1127732653.db2.gz OYZLVGIVOAMOFX-UHFFFAOYSA-N 0 0 297.398 3.546 20 10 CHCDRN C[C@H]1CCCC[C@@H]1C(=O)NCCCSc1nccs1 ZINC000819277494 1131240913 /nfs/dbraw/zinc/24/09/13/1131240913.db2.gz JNDOIMDFWVWTKR-RYUDHWBXSA-N 0 0 298.477 3.568 20 10 CHCDRN C[C@@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccc(F)cc1[O-] ZINC000062748474 1127773687 /nfs/dbraw/zinc/77/36/87/1127773687.db2.gz KFAOWULNLYWXSE-SNVBAGLBSA-N 0 0 295.304 3.703 20 10 CHCDRN Oc1ccc(Cl)cc1CN1CCC[C@@H]1c1nccs1 ZINC000372433500 1127799813 /nfs/dbraw/zinc/79/98/13/1127799813.db2.gz JNUFHWJQJPCBRQ-GFCCVEGCSA-N 0 0 294.807 3.839 20 10 CHCDRN C[C@H](NC1(C(F)F)CC1)c1cc2c(cc1O)CCCC2 ZINC000800502853 1127901655 /nfs/dbraw/zinc/90/16/55/1127901655.db2.gz YEFLUAIDWHYHDC-JTQLQIEISA-N 0 0 281.346 3.719 20 10 CHCDRN C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])CCC1(F)F ZINC001233074756 1127923806 /nfs/dbraw/zinc/92/38/06/1127923806.db2.gz WVFKGOKEDVVGEB-SECBINFHSA-N 0 0 291.288 3.538 20 10 CHCDRN [O-]c1c(Cl)cccc1CN1CCC[C@@H]1c1nccs1 ZINC000375020787 1127925339 /nfs/dbraw/zinc/92/53/39/1127925339.db2.gz NOTQJYQPRIBWTB-GFCCVEGCSA-N 0 0 294.807 3.839 20 10 CHCDRN CSCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000134908105 1128100397 /nfs/dbraw/zinc/10/03/97/1128100397.db2.gz YZJSQGDNSNDLAO-SSDOTTSWSA-N 0 0 280.220 3.713 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CCCC2(CCC2)O1)c1ccc(F)cc1[O-] ZINC000927009031 1128207524 /nfs/dbraw/zinc/20/75/24/1128207524.db2.gz BPRQRSYJXCUOHZ-GXTWGEPZSA-N 0 0 293.382 3.674 20 10 CHCDRN CC[C@@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1ccccc1O ZINC000927129966 1128220629 /nfs/dbraw/zinc/22/06/29/1128220629.db2.gz QQJVZCFTRSJDMV-GOEBONIOSA-N 0 0 289.419 3.925 20 10 CHCDRN Cc1cc(-c2nc([C@H]3C[C@@H]3C)no2)c(C)n1-c1ccccn1 ZINC000762253240 1128287198 /nfs/dbraw/zinc/28/71/98/1128287198.db2.gz KWDACNROSISEOX-GWCFXTLKSA-N 0 0 294.358 3.663 20 10 CHCDRN CCc1ncc(CSc2ncc(-c3ccccc3)n2C)o1 ZINC000916202954 1128411382 /nfs/dbraw/zinc/41/13/82/1128411382.db2.gz IHQDOHZVTLPJDP-UHFFFAOYSA-N 0 0 299.399 3.930 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H]1CC=CCC1 ZINC000934707119 1128467995 /nfs/dbraw/zinc/46/79/95/1128467995.db2.gz XSVSQOWBLDCYHS-HNNXBMFYSA-N 0 0 287.403 3.877 20 10 CHCDRN CC1=NO[C@H](CSc2ncc(C(C)(C)C)s2)C1 ZINC000917217489 1128490852 /nfs/dbraw/zinc/49/08/52/1128490852.db2.gz MEPMMAFCCWZANR-VIFPVBQESA-N 0 0 270.423 3.698 20 10 CHCDRN CC(C)(C)c1cnc(SC[C@@](C)(O)C(F)F)s1 ZINC000917218466 1128490884 /nfs/dbraw/zinc/49/08/84/1128490884.db2.gz UTTFOTCNAQPBOQ-LLVKDONJSA-N 0 0 281.393 3.549 20 10 CHCDRN Oc1ccccc1CN(Cc1ccco1)Cc1ccco1 ZINC000154719741 1128544686 /nfs/dbraw/zinc/54/46/86/1128544686.db2.gz FWHIRBAHWSSLMD-UHFFFAOYSA-N 0 0 283.327 3.781 20 10 CHCDRN C[C@H]1CCC[C@H](CC(=O)N(C)Cc2ccccc2O)C1 ZINC000155928982 1128619253 /nfs/dbraw/zinc/61/92/53/1128619253.db2.gz NINLJTPIPKCUGO-KBPBESRZSA-N 0 0 275.392 3.567 20 10 CHCDRN Fc1ccc(OCCCSc2nccs2)cc1 ZINC000919675459 1128621634 /nfs/dbraw/zinc/62/16/34/1128621634.db2.gz JLLWHWLBWBKZPX-UHFFFAOYSA-N 0 0 269.366 3.843 20 10 CHCDRN c1csc(SCc2csc(-c3ccccn3)n2)n1 ZINC000919676955 1128621874 /nfs/dbraw/zinc/62/18/74/1128621874.db2.gz DXYIWLHOAXOBQK-UHFFFAOYSA-N 0 0 291.426 3.954 20 10 CHCDRN O=[N+]([O-])c1ccc(NCc2cccc(Cl)c2O)cc1 ZINC000158707217 1128670607 /nfs/dbraw/zinc/67/06/07/1128670607.db2.gz BZLFOTYWOFACBP-UHFFFAOYSA-N 0 0 278.695 3.566 20 10 CHCDRN COc1ccc2c(c1)CCCCN2Cc1ccc(CO)cc1 ZINC000778956262 1128671442 /nfs/dbraw/zinc/67/14/42/1128671442.db2.gz YBHKCSZNOTZSCS-UHFFFAOYSA-N 0 0 297.398 3.530 20 10 CHCDRN CCC(C)(CC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000159057002 1128673870 /nfs/dbraw/zinc/67/38/70/1128673870.db2.gz CTUXJGUPNGTAIC-UHFFFAOYSA-N 0 0 276.424 3.504 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC=CCC1 ZINC000778993927 1128674412 /nfs/dbraw/zinc/67/44/12/1128674412.db2.gz YGDXZZRZHWUYBM-UHFFFAOYSA-N 0 0 294.398 3.805 20 10 CHCDRN Cc1ccccc1[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000779005610 1128676354 /nfs/dbraw/zinc/67/63/54/1128676354.db2.gz MASWOEHAOJSAJP-AWEZNQCLSA-N 0 0 285.362 3.829 20 10 CHCDRN COc1ccc(N(C)C/C=C\c2ccccc2)cc1OC ZINC000920780770 1128690715 /nfs/dbraw/zinc/69/07/15/1128690715.db2.gz BLYYMEXHNFFCSG-YFHOEESVSA-N 0 0 283.371 3.853 20 10 CHCDRN C[C@H]1C[N@H+](Cc2cc(F)ccc2O)[C@H]1c1ccccc1 ZINC000779034656 1128692057 /nfs/dbraw/zinc/69/20/57/1128692057.db2.gz ZEMIKUJOUFPOHF-YVEFUNNKSA-N 0 0 271.335 3.724 20 10 CHCDRN CCN(Cc1ccc(F)cc1)c1ccc(OC)c(OC)c1 ZINC000921061004 1128700231 /nfs/dbraw/zinc/70/02/31/1128700231.db2.gz JESZVDCXISLWQR-UHFFFAOYSA-N 0 0 289.350 3.869 20 10 CHCDRN c1cc(NCc2ccc(N3CCCC3)cc2)nc(C2CC2)n1 ZINC000171838278 1128731409 /nfs/dbraw/zinc/73/14/09/1128731409.db2.gz QUTVFTVYSSFISB-UHFFFAOYSA-N 0 0 294.402 3.566 20 10 CHCDRN C[C@@H]([NH2+]CCc1c(F)cccc1F)c1ccc(F)cc1[O-] ZINC000185067650 1117759409 /nfs/dbraw/zinc/75/94/09/1117759409.db2.gz OMEWLELCFFRPOW-SNVBAGLBSA-N 0 0 295.304 3.703 20 10 CHCDRN C[C@@H]([NH2+]CCCNc1ccccc1)c1ccc(F)cc1[O-] ZINC000185489413 1117828233 /nfs/dbraw/zinc/82/82/33/1117828233.db2.gz GDAAGMDVZCCAAP-CYBMUJFWSA-N 0 0 288.366 3.684 20 10 CHCDRN CCc1cccc(OCCSc2nccs2)c1 ZINC000195601521 1117894874 /nfs/dbraw/zinc/89/48/74/1117894874.db2.gz CEYXRPQAOOHJDT-UHFFFAOYSA-N 0 0 265.403 3.877 20 10 CHCDRN C[C@H]([NH2+][C@@H](CCO)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000185828821 1117914013 /nfs/dbraw/zinc/91/40/13/1117914013.db2.gz OVALGMWJBABYKU-LRDDRELGSA-N 0 0 295.398 3.513 20 10 CHCDRN CN(Cc1ccsc1)Cc1c(O)cccc1Cl ZINC000120476204 1117921875 /nfs/dbraw/zinc/92/18/75/1117921875.db2.gz HRUUPHVLVBRIHL-UHFFFAOYSA-N 0 0 267.781 3.739 20 10 CHCDRN CCN(C(=O)/C=C/c1scnc1C)c1ccccc1 ZINC000185992910 1117959408 /nfs/dbraw/zinc/95/94/08/1117959408.db2.gz FDNGMWUVTOEICA-MDZDMXLPSA-N 0 0 272.373 3.518 20 10 CHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1C[C@H]1C ZINC000049249670 1128749874 /nfs/dbraw/zinc/74/98/74/1128749874.db2.gz YGQITITYMCNELA-ZWNOBZJWSA-N 0 0 288.416 3.541 20 10 CHCDRN CCCOc1ccccc1NCc1ccccc1O ZINC000036955479 1118012363 /nfs/dbraw/zinc/01/23/63/1118012363.db2.gz FTDSAEFMGHGWKK-UHFFFAOYSA-N 0 0 257.333 3.793 20 10 CHCDRN CCOc1cccc(NCc2cc(F)ccc2O)c1 ZINC000083445560 1118021749 /nfs/dbraw/zinc/02/17/49/1118021749.db2.gz SMAOBICHIXFHDR-UHFFFAOYSA-N 0 0 261.296 3.542 20 10 CHCDRN CCOc1ccccc1NCc1cc(F)ccc1O ZINC000083445801 1118026142 /nfs/dbraw/zinc/02/61/42/1118026142.db2.gz WDESAROGRZTISF-UHFFFAOYSA-N 0 0 261.296 3.542 20 10 CHCDRN CCN(CC)c1ccc(/C=C(\C)c2cnccn2)cc1 ZINC000187649672 1128755763 /nfs/dbraw/zinc/75/57/63/1128755763.db2.gz BLXIOKYLXHYPMM-WYMLVPIESA-N 0 0 267.376 3.883 20 10 CHCDRN CCCC1(C(=O)N(CC)Cc2ccc(N(C)C)cc2)CC1 ZINC000764896767 1118125318 /nfs/dbraw/zinc/12/53/18/1118125318.db2.gz HQTBVHOMZBXWJA-UHFFFAOYSA-N 0 0 288.435 3.681 20 10 CHCDRN Oc1cccc(Nc2cc(C(F)(F)F)ccc2O)c1O ZINC001209982699 1118127335 /nfs/dbraw/zinc/12/73/35/1118127335.db2.gz SXWNPKVGDCEVIC-UHFFFAOYSA-N 0 0 285.221 3.566 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H](C)CC(F)F)c1ccc(F)cc1[O-] ZINC000842892326 1118158128 /nfs/dbraw/zinc/15/81/28/1118158128.db2.gz AYRJCWUZAQCUCA-BXKDBHETSA-N 0 0 275.314 3.863 20 10 CHCDRN C[C@@H](NC(=O)[C@@H]1CCCCC1(C)C)c1ccccc1O ZINC001648890080 1118271290 /nfs/dbraw/zinc/27/12/90/1118271290.db2.gz YXCZEUUOMNQZLV-OCCSQVGLSA-N 0 0 275.392 3.786 20 10 CHCDRN C[C@H](NC(=O)c1ccsc1Cl)c1ccccc1O ZINC001648894918 1118272006 /nfs/dbraw/zinc/27/20/06/1118272006.db2.gz WAKWCAGSYLKVTB-QMMMGPOBSA-N 0 0 281.764 3.598 20 10 CHCDRN Cc1cccc(CNc2ccc3ncccc3c2)c1O ZINC000083478279 1118354777 /nfs/dbraw/zinc/35/47/77/1118354777.db2.gz WQFAXAFUGWAEBQ-UHFFFAOYSA-N 0 0 264.328 3.861 20 10 CHCDRN Oc1ccccc1CNC(=S)Nc1ccc(Cl)cc1 ZINC000748160010 1118423486 /nfs/dbraw/zinc/42/34/86/1118423486.db2.gz YWVSRFRFCANLAI-UHFFFAOYSA-N 0 0 292.791 3.532 20 10 CHCDRN Cc1[nH]c2ccccc2c1C1=CCN(c2cccnn2)CC1 ZINC000580791402 1118503824 /nfs/dbraw/zinc/50/38/24/1118503824.db2.gz NYXZYFVLEIBISR-UHFFFAOYSA-N 0 0 290.370 3.560 20 10 CHCDRN COc1ccc(N(Cc2ccncc2)C(C)C)cc1F ZINC000156767427 1118533264 /nfs/dbraw/zinc/53/32/64/1118533264.db2.gz SRATYYDRXWZYCW-UHFFFAOYSA-N 0 0 274.339 3.644 20 10 CHCDRN Cc1cc(C)c(NC(=O)/C=C\c2ccc(O)c(O)c2)c(C)c1 ZINC000588403961 1118552056 /nfs/dbraw/zinc/55/20/56/1118552056.db2.gz OKGMSFXVZHHDLZ-ALCCZGGFSA-N 0 0 297.354 3.675 20 10 CHCDRN CCN1C(=O)/C(=C\c2sccc2Cl)SC1=S ZINC000779221222 1128790187 /nfs/dbraw/zinc/79/01/87/1128790187.db2.gz RLDPNWLCSRIEES-VMPITWQZSA-N 0 0 289.834 3.623 20 10 CHCDRN CCCCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000022406002 1118631418 /nfs/dbraw/zinc/63/14/18/1118631418.db2.gz OGAJIYQXFHSNIB-UHFFFAOYSA-N 0 0 270.376 3.624 20 10 CHCDRN COc1ccc2c(c1)CCCN2Cc1nc(C)c(C)s1 ZINC000763480364 1128799336 /nfs/dbraw/zinc/79/93/36/1128799336.db2.gz WWKOKFOZAQZMNA-UHFFFAOYSA-N 0 0 288.416 3.721 20 10 CHCDRN CC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000068846511 1128800125 /nfs/dbraw/zinc/80/01/25/1128800125.db2.gz DJZBLARQPAFKBZ-NSHDSACASA-N 0 0 288.366 3.762 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1[C@H](C)CC[C@H]1C ZINC000472226607 1119083427 /nfs/dbraw/zinc/08/34/27/1119083427.db2.gz ZSJBFWUTWDOECT-CHWSQXEVSA-N 0 0 299.418 3.569 20 10 CHCDRN CC(C)(C)n1cc(NCc2c(O)cccc2Cl)cn1 ZINC000122065445 1119293566 /nfs/dbraw/zinc/29/35/66/1119293566.db2.gz YWNPQWCHVKWILQ-UHFFFAOYSA-N 0 0 279.771 3.609 20 10 CHCDRN Cc1cc(Cl)nc(CNC(=S)Nc2ccccc2)c1 ZINC000799899315 1119317979 /nfs/dbraw/zinc/31/79/79/1119317979.db2.gz OHHGJDADRRYPDM-UHFFFAOYSA-N 0 0 291.807 3.530 20 10 CHCDRN CC(C)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000052396823 1119367798 /nfs/dbraw/zinc/36/77/98/1119367798.db2.gz MMQYZGQDRNYEHJ-UHFFFAOYSA-N 0 0 288.435 3.681 20 10 CHCDRN CC(C)(C)[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000708442163 1119467002 /nfs/dbraw/zinc/46/70/02/1119467002.db2.gz DOJJSMGFIVDNIT-ZDUSSCGKSA-N 0 0 265.372 3.789 20 10 CHCDRN CS[C@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000168851802 1119481292 /nfs/dbraw/zinc/48/12/92/1119481292.db2.gz OEOPWUYMNOBXQQ-NEPJUHHUSA-N 0 0 275.417 3.948 20 10 CHCDRN C[C@@H](O)CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255732236 1119736171 /nfs/dbraw/zinc/73/61/71/1119736171.db2.gz DAMGOXYCPKOMGY-GFCCVEGCSA-N 0 0 298.346 3.604 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)c1ccsc1 ZINC000066096691 1119824345 /nfs/dbraw/zinc/82/43/45/1119824345.db2.gz WEVFKEKGAAHYAA-UHFFFAOYSA-N 0 0 275.373 3.506 20 10 CHCDRN COCCN(CCC=C(C)C)c1ccc(OC)c(OC)c1 ZINC001167695378 1119959757 /nfs/dbraw/zinc/95/97/57/1119959757.db2.gz GMLCWEANQWMVQI-UHFFFAOYSA-N 0 0 293.407 3.513 20 10 CHCDRN CC[C@H](Nc1ccc2c(c1)N(C)CCO2)c1ccccc1O ZINC000186376727 1120039167 /nfs/dbraw/zinc/03/91/67/1120039167.db2.gz CLPHJIOFGUROIB-HNNXBMFYSA-N 0 0 298.386 3.784 20 10 CHCDRN O=C1NC(=S)S/C1=C/c1ccccc1-c1ccccc1 ZINC000166160313 1120064335 /nfs/dbraw/zinc/06/43/35/1120064335.db2.gz AFWVHVVYCKRIJM-GXDHUFHOSA-N 0 0 297.404 3.842 20 10 CHCDRN C[C@H]([NH2+]CC1CC(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000783310919 1120079723 /nfs/dbraw/zinc/07/97/23/1120079723.db2.gz SGNZGXXQRMDDJX-VIFPVBQESA-N 0 0 269.335 3.757 20 10 CHCDRN Nc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000110408827 1120109408 /nfs/dbraw/zinc/10/94/08/1120109408.db2.gz BOCOPBDTQRKECN-VHSXEESVSA-N 0 0 286.297 3.576 20 10 CHCDRN CC(=O)Nc1ccc(Sc2ncc(Cl)s2)cc1 ZINC000780906373 1120174419 /nfs/dbraw/zinc/17/44/19/1120174419.db2.gz LNZWJZLRLNLEQU-UHFFFAOYSA-N 0 0 284.793 3.906 20 10 CHCDRN COc1ccc(N(C)Cc2ccn(C(C)C)n2)cc1Cl ZINC000177072421 1120212341 /nfs/dbraw/zinc/21/23/41/1120212341.db2.gz KSPAXJNQGJZLMU-UHFFFAOYSA-N 0 0 293.798 3.762 20 10 CHCDRN CCC[C@@H](C)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715719637 1120241879 /nfs/dbraw/zinc/24/18/79/1120241879.db2.gz TURXGBCNVCRORF-MRVPVSSYSA-N 0 0 290.176 3.572 20 10 CHCDRN C[C@H]([NH2+]Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756355543 1120248426 /nfs/dbraw/zinc/24/84/26/1120248426.db2.gz RAYVLLCWOXMZDJ-JTQLQIEISA-N 0 0 263.287 3.521 20 10 CHCDRN CC(C)C(C)(C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000309671651 1120344894 /nfs/dbraw/zinc/34/48/94/1120344894.db2.gz KBHZPIJNUXCSEM-UHFFFAOYSA-N 0 0 286.213 3.679 20 10 CHCDRN CCCC(O)(CCC)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185500737 1120378003 /nfs/dbraw/zinc/37/80/03/1120378003.db2.gz VJHCHFPVTKUKPV-GFCCVEGCSA-N 0 0 283.387 3.513 20 10 CHCDRN C[C@H]([NH2+]C1CCC2(CC2)CC1)c1ccc(F)cc1[O-] ZINC000695731478 1120414012 /nfs/dbraw/zinc/41/40/12/1120414012.db2.gz SWBZYZRBEABSJI-NSHDSACASA-N 0 0 263.356 3.905 20 10 CHCDRN Cc1cc2c(cc1N[C@H](C)c1cc(F)ccc1O)OCO2 ZINC000186517402 1120462289 /nfs/dbraw/zinc/46/22/89/1120462289.db2.gz CULWTRZPELCXFO-SNVBAGLBSA-N 0 0 289.306 3.742 20 10 CHCDRN Cc1cc(CN(C)Cc2ccc(N3CCCCC3)cc2)on1 ZINC000053420221 1120495429 /nfs/dbraw/zinc/49/54/29/1120495429.db2.gz JRUFXBWFMXQJFX-UHFFFAOYSA-N 0 0 299.418 3.605 20 10 CHCDRN CC[C@H](Nc1ccc(OC)cc1OC)c1ccccc1O ZINC000019903454 1120546661 /nfs/dbraw/zinc/54/66/61/1120546661.db2.gz UKOGCNPGPFREER-AWEZNQCLSA-N 0 0 287.359 3.973 20 10 CHCDRN COc1ccc(O)c([C@H](C)Nc2ccc(C)cc2)c1 ZINC000019964481 1120554769 /nfs/dbraw/zinc/55/47/69/1120554769.db2.gz OFIPNBKLTNUZIJ-LBPRGKRZSA-N 0 0 257.333 3.882 20 10 CHCDRN COc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)c1O ZINC000229052336 1120596634 /nfs/dbraw/zinc/59/66/34/1120596634.db2.gz VQVWJFITFULGKA-COPLHBTASA-N 0 0 297.826 3.969 20 10 CHCDRN CNc1ccccc1NCc1ccc2oc(C)nc2c1 ZINC001167761098 1120599172 /nfs/dbraw/zinc/59/91/72/1120599172.db2.gz UGXQAAKSXZDDAN-UHFFFAOYSA-N 0 0 267.332 3.790 20 10 CHCDRN CC(C)Oc1ccc(N(C)CCOC(C)(C)C)cc1 ZINC000759915501 1120622338 /nfs/dbraw/zinc/62/23/38/1120622338.db2.gz PMGFYGOUOAOQBS-UHFFFAOYSA-N 0 0 265.397 3.725 20 10 CHCDRN Oc1cccc(Cl)c1CNc1ccc2c(c1)COC2 ZINC000125433886 1120756019 /nfs/dbraw/zinc/75/60/19/1120756019.db2.gz ZXAKXRZIGYYJDL-UHFFFAOYSA-N 0 0 275.735 3.688 20 10 CHCDRN Cc1csc(CN(C)c2ccc(OC(C)C)cc2)n1 ZINC000191596807 1128944636 /nfs/dbraw/zinc/94/46/36/1128944636.db2.gz ISIWEVANQFPGHW-UHFFFAOYSA-N 0 0 276.405 3.875 20 10 CHCDRN Cc1nccn1CCCN(C)c1ccc(OC(C)C)cc1 ZINC000759933669 1120899293 /nfs/dbraw/zinc/89/92/93/1120899293.db2.gz OIIRLUWRYDUYAN-UHFFFAOYSA-N 0 0 287.407 3.505 20 10 CHCDRN CC(C)Oc1ccc(N(C)CCC(F)(F)F)cc1 ZINC000759934406 1120903135 /nfs/dbraw/zinc/90/31/35/1120903135.db2.gz VALXTIQLUOPHJM-UHFFFAOYSA-N 0 0 261.287 3.862 20 10 CHCDRN C[C@H](Nc1ccc2c(c1)CCO2)c1cc(F)cc(F)c1O ZINC000756833466 1120923596 /nfs/dbraw/zinc/92/35/96/1120923596.db2.gz ZUQUZMLTFWPSIC-VIFPVBQESA-N 0 0 291.297 3.778 20 10 CHCDRN CCC1(C(=O)N(C)Cc2ccc(N(C)C)cc2)CCCC1 ZINC000756907228 1120976013 /nfs/dbraw/zinc/97/60/13/1120976013.db2.gz KPZZMRGRPARKFW-UHFFFAOYSA-N 0 0 288.435 3.681 20 10 CHCDRN Cc1ccc(/C=C\C(=O)N2CC[C@@H](C)c3ccccc32)cn1 ZINC000779472414 1128954733 /nfs/dbraw/zinc/95/47/33/1128954733.db2.gz YFBZWIQFTOUSKH-CFYYFVFUSA-N 0 0 292.382 3.944 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1ccc(F)cc1[O-] ZINC000094322629 1120999962 /nfs/dbraw/zinc/99/99/62/1120999962.db2.gz FYIJSJQKKNLSFU-IINYFYTJSA-N 0 0 251.345 3.761 20 10 CHCDRN COc1ccc(C(F)(F)F)cc1Nc1cccc(O)c1O ZINC001174778971 1121028093 /nfs/dbraw/zinc/02/80/93/1121028093.db2.gz OPWZAPWOQJRZFK-UHFFFAOYSA-N 0 0 299.248 3.869 20 10 CHCDRN [O-]c1ccc(Cl)c(Cl)c1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC001237077814 1128964505 /nfs/dbraw/zinc/96/45/05/1128964505.db2.gz KJVQZDMWFARTQD-NXEZZACHSA-N 0 0 286.202 3.931 20 10 CHCDRN O=C(c1ccncc1)c1ccccc1Nc1cccc(O)c1 ZINC001174894411 1121082536 /nfs/dbraw/zinc/08/25/36/1121082536.db2.gz HTNOKXSOGZTMDF-UHFFFAOYSA-N 0 0 290.322 3.762 20 10 CHCDRN Cc1cnc(CNCc2cc(C)n(-c3ccccc3)c2C)o1 ZINC000318552830 1121120969 /nfs/dbraw/zinc/12/09/69/1121120969.db2.gz XJPOWCNUNPHDDG-UHFFFAOYSA-N 0 0 295.386 3.680 20 10 CHCDRN CC1(C)C[C@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000226254126 1121152338 /nfs/dbraw/zinc/15/23/38/1121152338.db2.gz HYUVOASEELREAQ-VIFPVBQESA-N 0 0 274.191 3.835 20 10 CHCDRN C/C(=C\c1cccnc1)C(=O)N1CCc2cc(C)c(C)cc21 ZINC001128883559 1121199480 /nfs/dbraw/zinc/19/94/80/1121199480.db2.gz RZQWZXNFCOYHNS-OQLLNIDSSA-N 0 0 292.382 3.691 20 10 CHCDRN Nc1ccc(N(c2ccc(N)cc2)c2ccncc2F)cc1 ZINC001175202276 1121206693 /nfs/dbraw/zinc/20/66/93/1121206693.db2.gz QYDHBMPINCPTOM-UHFFFAOYSA-N 0 0 294.333 3.855 20 10 CHCDRN CC(C)([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000703276083 1121241704 /nfs/dbraw/zinc/24/17/04/1121241704.db2.gz PYYHUTOPCLCPOZ-UHFFFAOYSA-N 0 0 277.314 3.695 20 10 CHCDRN C[C@@H]1CC(C[NH2+]Cc2ccc(F)c(F)c2[O-])C[C@@H](C)C1 ZINC000703326044 1121245125 /nfs/dbraw/zinc/24/51/25/1121245125.db2.gz AYIMPBRXBZVEDC-QWRGUYRKSA-N 0 0 283.362 3.832 20 10 CHCDRN Cc1cc(C)cc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000703307152 1121246661 /nfs/dbraw/zinc/24/66/61/1121246661.db2.gz GPHYZXTZZJOIHR-UHFFFAOYSA-N 0 0 277.314 3.577 20 10 CHCDRN CCOc1ccc(F)c(F)c1Nc1cccc(O)c1O ZINC001175283549 1121251789 /nfs/dbraw/zinc/25/17/89/1121251789.db2.gz ZEYBKVPWAYXPGT-UHFFFAOYSA-N 0 0 281.258 3.518 20 10 CHCDRN CN(c1ccc(N)cc1)c1c(F)c(F)c(F)c(F)c1F ZINC001175385339 1121309110 /nfs/dbraw/zinc/30/91/10/1121309110.db2.gz XTONIFFJXHHNBD-UHFFFAOYSA-N 0 0 288.219 3.732 20 10 CHCDRN CCCCCC[C@@H](C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000182523826 1128980772 /nfs/dbraw/zinc/98/07/72/1128980772.db2.gz MHVCTNYJOHOLLZ-CYBMUJFWSA-N 0 0 293.407 3.711 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CCCC12CC2)c1ccc(F)cc1[O-] ZINC000706225412 1121421216 /nfs/dbraw/zinc/42/12/16/1121421216.db2.gz IWFINHNGSNCMRB-NWDGAFQWSA-N 0 0 263.356 3.762 20 10 CHCDRN C[C@H](c1cccs1)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893947247 1121445520 /nfs/dbraw/zinc/44/55/20/1121445520.db2.gz VKZXXVJVXOOXNM-SECBINFHSA-N 0 0 283.343 3.925 20 10 CHCDRN C[C@@H](CC1CCCCC1)NC(=O)Nc1ccc(N)cc1 ZINC000694718368 1121448930 /nfs/dbraw/zinc/44/89/30/1121448930.db2.gz FALPNVMFNCSAJG-LBPRGKRZSA-N 0 0 275.396 3.749 20 10 CHCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@@]12C[C@@H]1CCCC2 ZINC000708864835 1121466347 /nfs/dbraw/zinc/46/63/47/1121466347.db2.gz GUFUIARXUKNYBG-KNHMANMVSA-N 0 0 281.346 3.729 20 10 CHCDRN Oc1cccc(Nc2ccc(-c3cccnc3)cc2)c1O ZINC001175889569 1121478253 /nfs/dbraw/zinc/47/82/53/1121478253.db2.gz UIFBVVHIKUGQQS-UHFFFAOYSA-N 0 0 278.311 3.903 20 10 CHCDRN C[C@H](NC(=O)CC1CCCCC1)c1ccccc1O ZINC000827985109 1121577357 /nfs/dbraw/zinc/57/73/57/1121577357.db2.gz HVTARJMIHZLWOR-LBPRGKRZSA-N 0 0 261.365 3.540 20 10 CHCDRN Cc1cc(OC(C)C)ccc1Nc1cccc(O)c1O ZINC001211815839 1121646674 /nfs/dbraw/zinc/64/66/74/1121646674.db2.gz LZSQWKVHAYDKTO-UHFFFAOYSA-N 0 0 273.332 3.937 20 10 CHCDRN CCCN(CCC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773610612 1121713319 /nfs/dbraw/zinc/71/33/19/1121713319.db2.gz FCXKPVCMROAMII-AWEZNQCLSA-N 0 0 291.439 3.645 20 10 CHCDRN C[C@@H]([NH2+]C1CCC(F)(F)CC1)c1ccc(F)cc1[O-] ZINC000688501493 1129004225 /nfs/dbraw/zinc/00/42/25/1129004225.db2.gz JPLTWYZSCKYWPT-SECBINFHSA-N 0 0 273.298 3.760 20 10 CHCDRN CC(C)c1cnc(COc2ccc(N3CCCC3)cc2)o1 ZINC000749790675 1121714530 /nfs/dbraw/zinc/71/45/30/1121714530.db2.gz JBRGLRFJQSOPAH-UHFFFAOYSA-N 0 0 286.375 3.977 20 10 CHCDRN Clc1cc2c(cc1Sc1nccs1)OCCO2 ZINC000727435947 1121718680 /nfs/dbraw/zinc/71/86/80/1121718680.db2.gz VOFFYMPUUGCCEL-UHFFFAOYSA-N 0 0 285.777 3.719 20 10 CHCDRN C[C@H]1C[C@H](CC(=O)NCc2ccccc2O)CC(C)(C)C1 ZINC000727486914 1121722292 /nfs/dbraw/zinc/72/22/92/1121722292.db2.gz UPSLIRDIFULHRQ-UONOGXRCSA-N 0 0 289.419 3.861 20 10 CHCDRN O=C(CSc1ncc(Cl)s1)[C@H]1Cc2ccccc21 ZINC001166587457 1121761720 /nfs/dbraw/zinc/76/17/20/1121761720.db2.gz PHWWXQCTKQLYIX-JTQLQIEISA-N 0 0 295.816 3.798 20 10 CHCDRN Cc1ccc2c(c1)CCCN2C(=O)/C=C/c1cncc(F)c1 ZINC000729306838 1121773258 /nfs/dbraw/zinc/77/32/58/1121773258.db2.gz AZGHHPWVDUFCNE-FNORWQNLSA-N 0 0 296.345 3.522 20 10 CHCDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1ccc(C)cc1C ZINC000729327546 1121777267 /nfs/dbraw/zinc/77/72/67/1121777267.db2.gz GNJMGVZUGHSQSR-VURMDHGXSA-N 0 0 298.361 3.904 20 10 CHCDRN COc1ccc(F)c(NCc2cc(Cl)cc(F)c2O)c1 ZINC001178421207 1121787654 /nfs/dbraw/zinc/78/76/54/1121787654.db2.gz FARGRTGVLNAMHM-UHFFFAOYSA-N 0 0 299.704 3.945 20 10 CHCDRN CCC/C(C)=C/C(=O)NCc1c(O)ccc2ccccc21 ZINC001179029432 1121844529 /nfs/dbraw/zinc/84/45/29/1121844529.db2.gz NSFJLCYUSPYJRR-ACCUITESSA-N 0 0 283.371 3.908 20 10 CHCDRN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)c1O ZINC000797127927 1121845911 /nfs/dbraw/zinc/84/59/11/1121845911.db2.gz HOGHVZRBVGBDAM-FWDPORAESA-N 0 0 298.224 3.912 20 10 CHCDRN CCCC(C)(C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001179033512 1121846295 /nfs/dbraw/zinc/84/62/95/1121846295.db2.gz XTCNANCPTTXTEG-UHFFFAOYSA-N 0 0 285.387 3.988 20 10 CHCDRN CC[C@@](C)([NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC001179183486 1121854036 /nfs/dbraw/zinc/85/40/36/1121854036.db2.gz KSKJPSFMAALMRU-CQSZACIVSA-N 0 0 271.763 3.853 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/C(C)(C)C ZINC000731896261 1121892040 /nfs/dbraw/zinc/89/20/40/1121892040.db2.gz FCDPWFPKRVSACW-OUKQBFOZSA-N 0 0 288.435 3.703 20 10 CHCDRN CC1(C)CN(C(=O)C2=CC(=O)CS2)[C@H]1c1ccccc1 ZINC000732276564 1121913940 /nfs/dbraw/zinc/91/39/40/1121913940.db2.gz WDGMGIWPRYODFB-AWEZNQCLSA-N 0 0 287.384 3.677 20 10 CHCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)c1ccccc1F ZINC000732353164 1121917515 /nfs/dbraw/zinc/91/75/15/1121917515.db2.gz MZMDEPJMBSCHMW-MRVPVSSYSA-N 0 0 266.293 3.511 20 10 CHCDRN CC[C@@H](C)C[C@@H](C)NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180129698 1121950235 /nfs/dbraw/zinc/95/02/35/1121950235.db2.gz COBZGOHGKSPHJU-PRYPJVTBSA-N 0 0 288.435 3.707 20 10 CHCDRN Cc1csc(NC(=O)/C=C/c2ccc(N(C)C)cc2)c1 ZINC001180122853 1121955002 /nfs/dbraw/zinc/95/50/02/1121955002.db2.gz HOPAYDXSQYHAGA-RMKNXTFCSA-N 0 0 286.400 3.774 20 10 CHCDRN C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)c(F)cc2[O-])C[C@H]1C ZINC001180707275 1122009798 /nfs/dbraw/zinc/00/97/98/1122009798.db2.gz GRSREKDJRGKWTN-FOGDFJRCSA-N 0 0 269.335 3.585 20 10 CHCDRN Oc1cc(F)c(F)cc1CN1CCc2c1cccc2Cl ZINC001180750561 1122011436 /nfs/dbraw/zinc/01/14/36/1122011436.db2.gz DFTLVLNHWBIBEA-UHFFFAOYSA-N 0 0 295.716 3.887 20 10 CHCDRN CN(C/C=C/c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC001180751679 1122011811 /nfs/dbraw/zinc/01/18/11/1122011811.db2.gz NFNKMPLQQFXXER-NSCUHMNNSA-N 0 0 285.318 3.704 20 10 CHCDRN CN(C/C=C\c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC001180751678 1122012908 /nfs/dbraw/zinc/01/29/08/1122012908.db2.gz NFNKMPLQQFXXER-IHWYPQMZSA-N 0 0 285.318 3.704 20 10 CHCDRN Clc1ccc2c(c1)N(Cc1cccc3c1OCO3)CC2 ZINC001180751538 1122012957 /nfs/dbraw/zinc/01/29/57/1122012957.db2.gz LYQMHIFXYVQCEL-UHFFFAOYSA-N 0 0 287.746 3.631 20 10 CHCDRN CC(C)c1ccc(O)c(CNc2cccc3c2OCO3)c1 ZINC001180809172 1122018574 /nfs/dbraw/zinc/01/85/74/1122018574.db2.gz BQFMDVSUFWZFPP-UHFFFAOYSA-N 0 0 285.343 3.856 20 10 CHCDRN CC(C)Oc1ccc(N(C)C[C@@]2(C)CCCCO2)cc1 ZINC001180873503 1122021363 /nfs/dbraw/zinc/02/13/63/1122021363.db2.gz RMZLFUWKUAGKLY-QGZVFWFLSA-N 0 0 277.408 3.869 20 10 CHCDRN CC(C)Oc1ccc(N(C)C[C@]2(C)CCCCO2)cc1 ZINC001180873502 1122021396 /nfs/dbraw/zinc/02/13/96/1122021396.db2.gz RMZLFUWKUAGKLY-KRWDZBQOSA-N 0 0 277.408 3.869 20 10 CHCDRN C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[O-])C1 ZINC001181399746 1122053125 /nfs/dbraw/zinc/05/31/25/1122053125.db2.gz MBYXIZQUTFBDSU-GHMZBOCLSA-N 0 0 253.773 3.571 20 10 CHCDRN Cc1cc(COc2ccc3c(c2)c(C)c(C)n3C)on1 ZINC000421198325 1122081937 /nfs/dbraw/zinc/08/19/37/1122081937.db2.gz LHSHQRKKILPSPG-UHFFFAOYSA-N 0 0 270.332 3.671 20 10 CHCDRN CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774376450 1122158041 /nfs/dbraw/zinc/15/80/41/1122158041.db2.gz YGQIEFWNUPGDGJ-XHNCKOQMSA-N 0 0 292.206 3.773 20 10 CHCDRN Cc1cc(NCc2ccccc2O)c(Cl)cc1[N+](=O)[O-] ZINC000774524610 1122178774 /nfs/dbraw/zinc/17/87/74/1122178774.db2.gz VPXNFNSVZFHQFQ-UHFFFAOYSA-N 0 0 292.722 3.874 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273352992 1122229323 /nfs/dbraw/zinc/22/93/23/1122229323.db2.gz CCDZWRWSEHPSFE-YUMQZZPRSA-N 0 0 292.231 3.855 20 10 CHCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@H]1CCc2c1cccc2F ZINC001183863279 1122245108 /nfs/dbraw/zinc/24/51/08/1122245108.db2.gz AUTZHWLLXYRKKW-HNNXBMFYSA-N 0 0 293.288 3.587 20 10 CHCDRN Cc1noc(C)c1CCOc1ccc(N2CCCC2)cc1 ZINC000774772352 1122291132 /nfs/dbraw/zinc/29/11/32/1122291132.db2.gz FHFVMNSNWDUSEP-UHFFFAOYSA-N 0 0 286.375 3.513 20 10 CHCDRN CCC[C@H](CC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001269587146 1122299589 /nfs/dbraw/zinc/29/95/89/1122299589.db2.gz CRKOUDGHBSEZRG-KGLIPLIRSA-N 0 0 276.424 3.756 20 10 CHCDRN Cc1c(NCc2cc(C)c(C)cc2O)cnn1CC(C)C ZINC000774824883 1122315002 /nfs/dbraw/zinc/31/50/02/1122315002.db2.gz ZEMMRQGZBGQHIH-UHFFFAOYSA-N 0 0 287.407 3.782 20 10 CHCDRN CC(C)C[C@H](C)OC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001186086870 1122374265 /nfs/dbraw/zinc/37/42/65/1122374265.db2.gz HZLMXTMCOYKSKX-LBPRGKRZSA-N 0 0 296.386 3.553 20 10 CHCDRN C[C@@H](NC(=O)N[C@H](C)C1CCCCC1)c1ccccc1O ZINC001186353474 1122385118 /nfs/dbraw/zinc/38/51/18/1122385118.db2.gz NWANDBBYNWGDOO-CHWSQXEVSA-N 0 0 290.407 3.721 20 10 CHCDRN C[C@H](Nc1cnn(CC2CC2)c1)c1ccc(N(C)C)cc1 ZINC000183423488 1129054438 /nfs/dbraw/zinc/05/44/38/1129054438.db2.gz PEIIWKGSKGIWNB-ZDUSSCGKSA-N 0 0 284.407 3.532 20 10 CHCDRN Cc1cc(C)cc(C[N@@H+](C)Cc2cc(F)ccc2O)c1 ZINC000775147435 1122444240 /nfs/dbraw/zinc/44/42/40/1122444240.db2.gz BXEAQLVNVTWRPK-UHFFFAOYSA-N 0 0 273.351 3.780 20 10 CHCDRN C[C@H]1OCC[C@@H]1CSc1ncc(C(C)(C)C)s1 ZINC001188939109 1122480746 /nfs/dbraw/zinc/48/07/46/1122480746.db2.gz BEXZQBUSSTZELQ-NXEZZACHSA-N 0 0 271.451 3.958 20 10 CHCDRN COC(=O)c1cnc(SC[C@@H]2CCC[C@H](C)C2)s1 ZINC001189407589 1122501049 /nfs/dbraw/zinc/50/10/49/1122501049.db2.gz FGMNAQXWXDKQOX-VHSXEESVSA-N 0 0 285.434 3.848 20 10 CHCDRN COC(=O)c1cnc(SCc2cc(F)ccc2C)s1 ZINC001189407817 1122501181 /nfs/dbraw/zinc/50/11/81/1122501181.db2.gz MMEINNIIESXZCQ-UHFFFAOYSA-N 0 0 297.376 3.670 20 10 CHCDRN COc1cc(Cl)ccc1NCc1cc(C)ccc1O ZINC000775344555 1122525146 /nfs/dbraw/zinc/52/51/46/1122525146.db2.gz JKNWVLXTUWTOKL-UHFFFAOYSA-N 0 0 277.751 3.975 20 10 CHCDRN CCCCOc1ccc(NCc2ccccc2O)cn1 ZINC000775350623 1122526210 /nfs/dbraw/zinc/52/62/10/1122526210.db2.gz PFVQDDSYXYPFMK-UHFFFAOYSA-N 0 0 272.348 3.578 20 10 CHCDRN CC(C)c1ccccc1C(=O)N1CCc2cccc(O)c2C1 ZINC001190263807 1122531590 /nfs/dbraw/zinc/53/15/90/1122531590.db2.gz WQYRGNFLXFQGBD-UHFFFAOYSA-N 0 0 295.382 3.714 20 10 CHCDRN Cc1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775406789 1122552473 /nfs/dbraw/zinc/55/24/73/1122552473.db2.gz VPGHUGCIXBUAFB-CQSZACIVSA-N 0 0 297.402 3.944 20 10 CHCDRN Cc1cc(NC(=O)Nc2cccc(O)c2O)ccc1Cl ZINC001191769257 1122611203 /nfs/dbraw/zinc/61/12/03/1122611203.db2.gz ZCJIJXAIRIGIDK-UHFFFAOYSA-N 0 0 292.722 3.704 20 10 CHCDRN CC[C@@H](Nc1cnn(CC)c1)c1cc(Cl)ccc1O ZINC000775540422 1122654904 /nfs/dbraw/zinc/65/49/04/1122654904.db2.gz LEHQPJAALIUKHV-CYBMUJFWSA-N 0 0 279.771 3.825 20 10 CHCDRN CN(CCOC1CC1)c1ccc(OCc2ccccc2)cc1 ZINC001193474590 1122692399 /nfs/dbraw/zinc/69/23/99/1122692399.db2.gz ZAVBSZIRRUKSTE-UHFFFAOYSA-N 0 0 297.398 3.881 20 10 CHCDRN CCC(CC)CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000729433770 1122788012 /nfs/dbraw/zinc/78/80/12/1122788012.db2.gz UHQWYMXXIAOVHB-UHFFFAOYSA-N 0 0 299.418 3.655 20 10 CHCDRN Cc1cc(Cl)cc(CN2CCn3cccc3[C@@H]2C)c1O ZINC000775643192 1122850874 /nfs/dbraw/zinc/85/08/74/1122850874.db2.gz NTDZUOAEKRIYQO-LBPRGKRZSA-N 0 0 290.794 3.732 20 10 CHCDRN C[N@@H+](Cc1cccc(Cl)c1[O-])Cc1ccc(F)cc1F ZINC000775648992 1122861801 /nfs/dbraw/zinc/86/18/01/1122861801.db2.gz ZJJTUWGXLHOPKR-UHFFFAOYSA-N 0 0 297.732 3.956 20 10 CHCDRN CCCC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000775652962 1122868909 /nfs/dbraw/zinc/86/89/09/1122868909.db2.gz XDJBPOFPFBUEOC-UHFFFAOYSA-N 0 0 271.763 3.949 20 10 CHCDRN COc1ccc(N(C)Cc2cc(F)ccc2F)cc1 ZINC001195819054 1122890672 /nfs/dbraw/zinc/89/06/72/1122890672.db2.gz NSIPMBSDSQMOEX-UHFFFAOYSA-N 0 0 263.287 3.610 20 10 CHCDRN COc1ccc(N(C)C[C@@H]2CCCC3(CCC3)O2)cc1 ZINC001195819232 1122891963 /nfs/dbraw/zinc/89/19/63/1122891963.db2.gz WWLVLWKXXUJODQ-INIZCTEOSA-N 0 0 275.392 3.623 20 10 CHCDRN Cc1cc(Cl)cc(CN2Cc3ccccc3C2)c1O ZINC000775680763 1122902164 /nfs/dbraw/zinc/90/21/64/1122902164.db2.gz IMEHRBIOHMQSMB-UHFFFAOYSA-N 0 0 273.763 3.870 20 10 CHCDRN CCOc1ccc(OC)cc1N[C@H](C)c1ccccc1O ZINC000183695018 1129085959 /nfs/dbraw/zinc/08/59/59/1129085959.db2.gz TZRMLWDKJQXBCU-GFCCVEGCSA-N 0 0 287.359 3.973 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000775693202 1122911010 /nfs/dbraw/zinc/91/10/10/1122911010.db2.gz VQCSDAZWZJCOCK-SNVBAGLBSA-N 0 0 295.741 3.767 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000775697777 1122912423 /nfs/dbraw/zinc/91/24/23/1122912423.db2.gz GKEULBGRFLSXLR-QWRGUYRKSA-N 0 0 283.774 3.807 20 10 CHCDRN C[C@H](NC(=S)Nc1ccc(F)cc1)c1ccccc1O ZINC001196958075 1122941390 /nfs/dbraw/zinc/94/13/90/1122941390.db2.gz NPSJNBLZXCXUHU-JTQLQIEISA-N 0 0 290.363 3.579 20 10 CHCDRN Cc1cc(O)c(CNc2cccc(N(C)C)c2C)cc1C ZINC000775761531 1122946586 /nfs/dbraw/zinc/94/65/86/1122946586.db2.gz AUPBJAXWTRSNFN-UHFFFAOYSA-N 0 0 284.403 3.996 20 10 CHCDRN Cc1ccc(NC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001197467184 1122957279 /nfs/dbraw/zinc/95/72/79/1122957279.db2.gz LHRRSCFIRPKOSR-UHFFFAOYSA-N 0 0 290.750 3.676 20 10 CHCDRN Cc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)c(F)c1 ZINC001197523349 1122958211 /nfs/dbraw/zinc/95/82/11/1122958211.db2.gz ZSPKWZYKQTUBEI-NSHDSACASA-N 0 0 288.322 3.722 20 10 CHCDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1ccccc1C ZINC000104278037 1122983064 /nfs/dbraw/zinc/98/30/64/1122983064.db2.gz FQMXAADVNBOXHQ-CMDGGOBGSA-N 0 0 284.334 3.595 20 10 CHCDRN Cc1ccccc1NC(=S)N[C@H](C)c1ccccc1O ZINC001198445471 1122993666 /nfs/dbraw/zinc/99/36/66/1122993666.db2.gz HCPIQDTXLCXGCN-GFCCVEGCSA-N 0 0 286.400 3.748 20 10 CHCDRN Nc1ccc(Cc2ccccc2Nc2cnoc2)cc1 ZINC001203244792 1123020482 /nfs/dbraw/zinc/02/04/82/1123020482.db2.gz HMNHRPBRZGVBOR-UHFFFAOYSA-N 0 0 265.316 3.591 20 10 CHCDRN O=C1c2ccccc2-c2cccc(Nc3cnoc3)c21 ZINC001203244540 1123021671 /nfs/dbraw/zinc/02/16/71/1123021671.db2.gz CNRGTHQTFPYFNP-UHFFFAOYSA-N 0 0 262.268 3.630 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]2C(C)C)cc1 ZINC000775976126 1123031437 /nfs/dbraw/zinc/03/14/37/1123031437.db2.gz DHXCCNZNWRGOOA-SFHVURJKSA-N 0 0 296.414 3.965 20 10 CHCDRN Cc1ccc(CNC(=S)Nc2ccccc2Cl)nc1 ZINC001200863154 1123061941 /nfs/dbraw/zinc/06/19/41/1123061941.db2.gz CRAXOTRZSMGPHQ-UHFFFAOYSA-N 0 0 291.807 3.530 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1nccc2ccccc21 ZINC000776174973 1123101758 /nfs/dbraw/zinc/10/17/58/1123101758.db2.gz SUYCDGHAPQOGSK-UHFFFAOYSA-N 0 0 298.773 3.884 20 10 CHCDRN COc1nc(C(C)C)ccc1N(C)c1ccc(N)cc1 ZINC001201438023 1123103907 /nfs/dbraw/zinc/10/39/07/1123103907.db2.gz NMWFACMYMRMCJC-UHFFFAOYSA-N 0 0 271.364 3.564 20 10 CHCDRN CNC(=O)Cc1ccc(Nc2ccc(NC(C)C)cc2)cc1 ZINC001201497086 1123110089 /nfs/dbraw/zinc/11/00/89/1123110089.db2.gz CFKMMCMZDIUJLS-UHFFFAOYSA-N 0 0 297.402 3.539 20 10 CHCDRN CC(C)Nc1ccc(Nc2cccc3c2OCO3)cc1 ZINC001201497153 1123111366 /nfs/dbraw/zinc/11/13/66/1123111366.db2.gz DGANOZQXIIPYCH-UHFFFAOYSA-N 0 0 270.332 3.979 20 10 CHCDRN COc1ccc(CO)c(Nc2ccc(NC(C)C)cc2)c1 ZINC001201499886 1123112402 /nfs/dbraw/zinc/11/24/02/1123112402.db2.gz SWJOYDONJSHOQH-UHFFFAOYSA-N 0 0 286.375 3.751 20 10 CHCDRN Cc1ccc(NCc2ccc(N(C)C)c(F)c2)c(C)n1 ZINC001201573223 1123126758 /nfs/dbraw/zinc/12/67/58/1123126758.db2.gz OTKVXBXDSZHSJG-UHFFFAOYSA-N 0 0 273.355 3.516 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CSc2ccccc21 ZINC000776207938 1123140764 /nfs/dbraw/zinc/14/07/64/1123140764.db2.gz SPNKRJLJBIUPED-CYBMUJFWSA-N 0 0 291.803 3.982 20 10 CHCDRN C[C@@H](NC(=O)Nc1c(F)cccc1F)c1ccccc1O ZINC001202045239 1123169621 /nfs/dbraw/zinc/16/96/21/1123169621.db2.gz UAAHEJCOOQZTGM-SECBINFHSA-N 0 0 292.285 3.553 20 10 CHCDRN CCC[C@@H](C)N(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776237209 1123173713 /nfs/dbraw/zinc/17/37/13/1123173713.db2.gz FHJHGRWAPZVIKV-ZIAGYGMSSA-N 0 0 291.439 3.644 20 10 CHCDRN CCC(CC)[C@H](CC[NH2+]Cc1cccc(Cl)c1[O-])OC ZINC000776253924 1123179370 /nfs/dbraw/zinc/17/93/70/1123179370.db2.gz XATBLTOSEWSENJ-HNNXBMFYSA-N 0 0 299.842 3.977 20 10 CHCDRN Oc1c(F)cc(Cl)cc1CNc1ccc2c(c1)COC2 ZINC000776251870 1123179867 /nfs/dbraw/zinc/17/98/67/1123179867.db2.gz GJVKNCJNKAYGOI-UHFFFAOYSA-N 0 0 293.725 3.827 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CC12CCCC2)c1cc(F)cc(F)c1[O-] ZINC000760041389 1123183251 /nfs/dbraw/zinc/18/32/51/1123183251.db2.gz OURXXJXVTUQKSW-RNCFNFMXSA-N 0 0 267.319 3.654 20 10 CHCDRN Cc1cccc(C)c1NC(=O)N[C@H](C)c1ccccc1O ZINC001202213190 1123188603 /nfs/dbraw/zinc/18/86/03/1123188603.db2.gz UYGKDBPFKPRVDT-CYBMUJFWSA-N 0 0 284.359 3.892 20 10 CHCDRN CC(C)COC(=O)CSc1ncc(C(C)(C)C)s1 ZINC000776284654 1123201033 /nfs/dbraw/zinc/20/10/33/1123201033.db2.gz AVMMNNBPJYRSAR-UHFFFAOYSA-N 0 0 287.450 3.732 20 10 CHCDRN CC(C)c1noc(CSc2ncc(Cl)s2)n1 ZINC000849999377 1123236251 /nfs/dbraw/zinc/23/62/51/1123236251.db2.gz PZXGUNMJPQXUFU-UHFFFAOYSA-N 0 0 275.786 3.595 20 10 CHCDRN C[C@H](Sc1ncc(Cl)s1)c1nc(C2CC2)no1 ZINC000849998688 1123236270 /nfs/dbraw/zinc/23/62/70/1123236270.db2.gz IEPPLCRQQFQQGM-YFKPBYRVSA-N 0 0 287.797 3.910 20 10 CHCDRN CCc1nc(C)c(CSc2ncc(Cl)s2)o1 ZINC000850001700 1123236770 /nfs/dbraw/zinc/23/67/70/1123236770.db2.gz KTZKZMNEPYBFED-UHFFFAOYSA-N 0 0 274.798 3.948 20 10 CHCDRN Cc1nc(CCSc2ncc(Cl)s2)cs1 ZINC000850000082 1123236920 /nfs/dbraw/zinc/23/69/20/1123236920.db2.gz IQYUCXWMHDOELA-UHFFFAOYSA-N 0 0 276.839 3.896 20 10 CHCDRN CC1(C)CC[C@H](Sc2ncc(Cl)s2)C1=O ZINC000850001110 1123237096 /nfs/dbraw/zinc/23/70/96/1123237096.db2.gz BNODTIZISPFPLQ-LURJTMIESA-N 0 0 261.799 3.646 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC000776472631 1123266140 /nfs/dbraw/zinc/26/61/40/1123266140.db2.gz AJJDIXDYMVGPPX-ZIAGYGMSSA-N 0 0 275.392 3.567 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000850541007 1123288339 /nfs/dbraw/zinc/28/83/39/1123288339.db2.gz UEOJXHCBLRHXDU-NOZJJQNGSA-N 0 0 253.773 3.885 20 10 CHCDRN CC[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccc(F)cc1[O-] ZINC000850551817 1123289944 /nfs/dbraw/zinc/28/99/44/1123289944.db2.gz KAZYLZHCDKPRDC-AAEUAGOBSA-N 0 0 287.325 3.863 20 10 CHCDRN CC(C)CC1([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000850565378 1123293249 /nfs/dbraw/zinc/29/32/49/1123293249.db2.gz AKHNWJJRFOFHDI-LLVKDONJSA-N 0 0 278.352 3.530 20 10 CHCDRN COc1ccc(O)c([C@@H](C)NCC(F)(F)C(C)(C)C)c1 ZINC000850573006 1123295045 /nfs/dbraw/zinc/29/50/45/1123295045.db2.gz SCDQVNFCBIFISO-SNVBAGLBSA-N 0 0 287.350 3.733 20 10 CHCDRN Nc1ccc(NC(=O)N2CCCC[C@@H]2CC2CCC2)cc1 ZINC000850749155 1123299569 /nfs/dbraw/zinc/29/95/69/1123299569.db2.gz BOAZLSIGQWQIGR-MRXNPFEDSA-N 0 0 287.407 3.845 20 10 CHCDRN C[C@H](CNC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000850751072 1123299789 /nfs/dbraw/zinc/29/97/89/1123299789.db2.gz UDZUWNZGKCBOGZ-GFCCVEGCSA-N 0 0 275.396 3.607 20 10 CHCDRN CC1(C)CN(Cc2ccccc2O)c2ccccc2O1 ZINC000776519900 1123338140 /nfs/dbraw/zinc/33/81/40/1123338140.db2.gz DLSQOFBXYIGCIW-UHFFFAOYSA-N 0 0 269.344 3.570 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(F)cc1 ZINC000020095480 1123358881 /nfs/dbraw/zinc/35/88/81/1123358881.db2.gz JREMCYIQAYFKEH-NEPJUHHUSA-N 0 0 259.324 3.943 20 10 CHCDRN Nc1ccc(NC(=O)[C@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000852790231 1123415758 /nfs/dbraw/zinc/41/57/58/1123415758.db2.gz LSHNWZAPQAYUBM-YJBOKZPZSA-N 0 0 294.398 3.866 20 10 CHCDRN Nc1ccc(Cc2noc([C@H]3[C@@H]4CCCCCC[C@@H]43)n2)cc1 ZINC000854134378 1123471362 /nfs/dbraw/zinc/47/13/62/1123471362.db2.gz PVLWWPQBCOVRIY-QLPKVWCKSA-N 0 0 297.402 3.926 20 10 CHCDRN CC1=CC[C@](C)(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000854271919 1123480477 /nfs/dbraw/zinc/48/04/77/1123480477.db2.gz VMBFTNMIRMWAFO-SFHVURJKSA-N 0 0 286.419 3.505 20 10 CHCDRN CCCCN(CC)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895518242 1123487708 /nfs/dbraw/zinc/48/77/08/1123487708.db2.gz JAYVVAXCWXPNSI-UHFFFAOYSA-N 0 0 293.388 3.575 20 10 CHCDRN CCCC[C@](C)(F)C(=O)NCc1cc(Cl)ccc1O ZINC000855022513 1123504029 /nfs/dbraw/zinc/50/40/29/1123504029.db2.gz AJHYSKIOWVAIRK-AWEZNQCLSA-N 0 0 287.762 3.580 20 10 CHCDRN CCC(C)(CC)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000112937754 1123504578 /nfs/dbraw/zinc/50/45/78/1123504578.db2.gz PAVFNVHBGJRCEN-UHFFFAOYSA-N 0 0 299.418 3.798 20 10 CHCDRN COCCCC1(C[NH2+][C@H](C)c2ccccc2O)CCC1 ZINC000895852344 1123522530 /nfs/dbraw/zinc/52/25/30/1123522530.db2.gz SHTQTBWWXKQVCC-CQSZACIVSA-N 0 0 277.408 3.640 20 10 CHCDRN COc1ccc(F)c(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000857082696 1123586019 /nfs/dbraw/zinc/58/60/19/1123586019.db2.gz XAZKRQQEIJFKAM-JTQLQIEISA-N 0 0 293.313 3.530 20 10 CHCDRN Cc1cc(Cl)cc([C@@H](C)Nc2cnn(CCF)c2)c1O ZINC000858491246 1123657430 /nfs/dbraw/zinc/65/74/30/1123657430.db2.gz BITPPWZWMALJBK-SNVBAGLBSA-N 0 0 297.761 3.693 20 10 CHCDRN CC[C@H](Nc1cnn(CCF)c1)c1cccc(Cl)c1O ZINC000858492335 1123657551 /nfs/dbraw/zinc/65/75/51/1123657551.db2.gz WBNYRGMYTNUCHM-ZDUSSCGKSA-N 0 0 297.761 3.775 20 10 CHCDRN C/C=C/C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000858536724 1123660959 /nfs/dbraw/zinc/66/09/59/1123660959.db2.gz JJFPHJAAUSZQCA-MPJRPATESA-N 0 0 288.160 3.521 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCCC12CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858594453 1123666500 /nfs/dbraw/zinc/66/65/00/1123666500.db2.gz QEBFDTPDGOLHAJ-RYUDHWBXSA-N 0 0 290.363 3.531 20 10 CHCDRN CCOc1ccc(N(CC)Cc2ccnc(F)c2)cc1 ZINC000859175290 1123688955 /nfs/dbraw/zinc/68/89/55/1123688955.db2.gz ILOJSCUSKCOUDX-UHFFFAOYSA-N 0 0 274.339 3.646 20 10 CHCDRN C[C@@H](CN(C)C(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000859698008 1123705637 /nfs/dbraw/zinc/70/56/37/1123705637.db2.gz PPSVEKAQOPKEGY-ZDUSSCGKSA-N 0 0 289.423 3.949 20 10 CHCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCS1 ZINC000896953249 1123792771 /nfs/dbraw/zinc/79/27/71/1123792771.db2.gz WPVAJXQCFYQCHA-SCZZXKLOSA-N 0 0 289.803 3.558 20 10 CHCDRN Cc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])nc1C ZINC000840782922 1123797922 /nfs/dbraw/zinc/79/79/22/1123797922.db2.gz GFDLZHPCQJASEV-LLVKDONJSA-N 0 0 292.329 3.533 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2cnc(C3CC3)o2)cc1 ZINC000862347133 1123801824 /nfs/dbraw/zinc/80/18/24/1123801824.db2.gz NYBMFNFVHUVGNL-UHFFFAOYSA-N 0 0 286.375 3.976 20 10 CHCDRN Cc1ccc(C(=O)N(C)C)cc1N[C@@H](C)c1ccccc1O ZINC000192761742 1123815450 /nfs/dbraw/zinc/81/54/50/1123815450.db2.gz FSXNSEQFUPMMRP-ZDUSSCGKSA-N 0 0 298.386 3.576 20 10 CHCDRN C[C@]1(C[NH2+]Cc2cccc(Cl)c2[O-])C[C@H]2C[C@H]2C1 ZINC000862528509 1123815559 /nfs/dbraw/zinc/81/55/59/1123815559.db2.gz XQSKGHQVSOAWAQ-JYAVWHMHSA-N 0 0 265.784 3.571 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)CC2CCCC2)c1 ZINC000862759318 1123827290 /nfs/dbraw/zinc/82/72/90/1123827290.db2.gz BKDMFPABPZCZNH-ZDUSSCGKSA-N 0 0 275.392 3.533 20 10 CHCDRN CCc1ccc([C@H](C)C(=O)NCc2cc(C)ccc2O)cc1 ZINC000862759085 1123827355 /nfs/dbraw/zinc/82/73/55/1123827355.db2.gz VERXFSXHCJFUCG-AWEZNQCLSA-N 0 0 297.398 3.683 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCCC[C@@H]2C2CC2)c1 ZINC000862755161 1123828053 /nfs/dbraw/zinc/82/80/53/1123828053.db2.gz OUQIIKPAUWDYBD-CVEARBPZSA-N 0 0 287.403 3.533 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SCCCc1cnoc1 ZINC000863268370 1123857694 /nfs/dbraw/zinc/85/76/94/1123857694.db2.gz VCLAOLZHLRITGE-UHFFFAOYSA-N 0 0 299.399 3.800 20 10 CHCDRN CO[C@@H](CSc1nccs1)c1ccc(F)cc1 ZINC000863295101 1123859653 /nfs/dbraw/zinc/85/96/53/1123859653.db2.gz LETKXMZXIHWFAW-NSHDSACASA-N 0 0 269.366 3.762 20 10 CHCDRN COc1cc(CSc2ncc(C(C)(C)C)s2)on1 ZINC000863314793 1123860473 /nfs/dbraw/zinc/86/04/73/1123860473.db2.gz YUDJACRTDOZEGD-UHFFFAOYSA-N 0 0 284.406 3.730 20 10 CHCDRN c1csc(SCCCNc2nc3ccccc3o2)n1 ZINC000301307712 1123891413 /nfs/dbraw/zinc/89/14/13/1123891413.db2.gz ZWTXGJTUMDUCDE-UHFFFAOYSA-N 0 0 291.401 3.879 20 10 CHCDRN CC(=O)c1cc(F)cc(CN2CCc3c2cccc3C)c1O ZINC000864008810 1123908553 /nfs/dbraw/zinc/90/85/53/1123908553.db2.gz PNNZOSHUPAFTDF-UHFFFAOYSA-N 0 0 299.345 3.605 20 10 CHCDRN Cc1nc2c(cccc2NCc2ccc(N(C)C)cc2)o1 ZINC000864014101 1123908899 /nfs/dbraw/zinc/90/88/99/1123908899.db2.gz HCJGJEGXCLDHTF-UHFFFAOYSA-N 0 0 281.359 3.814 20 10 CHCDRN CCc1cccc(CNc2ccc3oc(CO)cc3c2)c1O ZINC000864041048 1123912919 /nfs/dbraw/zinc/91/29/19/1123912919.db2.gz HUYABJQYMUDNNW-UHFFFAOYSA-N 0 0 297.354 3.805 20 10 CHCDRN CN(C)c1ccc(CNc2ccc3oc(CO)cc3c2)cc1 ZINC000864039873 1123913063 /nfs/dbraw/zinc/91/30/63/1123913063.db2.gz LOJUCUCEEAMZNW-UHFFFAOYSA-N 0 0 296.370 3.603 20 10 CHCDRN Cc1cccc2c(NCc3ccc(N(C)C)cc3)ncnc12 ZINC000301643710 1123920601 /nfs/dbraw/zinc/92/06/01/1123920601.db2.gz CBXQFYJRDPFUBY-UHFFFAOYSA-N 0 0 292.386 3.616 20 10 CHCDRN CC/C(C)=C(\C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000779853694 1129156639 /nfs/dbraw/zinc/15/66/39/1129156639.db2.gz CJTPQSDHBZDMHF-CCEZHUSRSA-N 0 0 288.435 3.895 20 10 CHCDRN CCN(CCc1ccccc1)c1ccc(OC)c(OC)c1 ZINC001168069617 1124004332 /nfs/dbraw/zinc/00/43/32/1124004332.db2.gz ZSVJJECRZQTARC-UHFFFAOYSA-N 0 0 285.387 3.773 20 10 CHCDRN CCc1cccc(F)c1/C=C1\SC(=S)N(CC)C1=O ZINC000794867333 1124012465 /nfs/dbraw/zinc/01/24/65/1124012465.db2.gz WCTIFJXYJDLDKJ-WQLSENKSSA-N 0 0 295.404 3.609 20 10 CHCDRN Cc1sc2ncnc(N3Cc4cccc(O)c4C3)c2c1C ZINC000866120112 1124033033 /nfs/dbraw/zinc/03/30/33/1124033033.db2.gz WPNSFRBYPMCJMF-UHFFFAOYSA-N 0 0 297.383 3.534 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCc1ccccc1Cl ZINC001648973070 1124039906 /nfs/dbraw/zinc/03/99/06/1124039906.db2.gz CEWDGMSKVFNEBV-UHFFFAOYSA-N 0 0 297.732 3.656 20 10 CHCDRN C[C@H]([NH2+]CC[C@@H]1CCSC1)c1ccc(Cl)cc1[O-] ZINC000866403883 1124063486 /nfs/dbraw/zinc/06/34/86/1124063486.db2.gz SLDHLVWHHLXMKI-WDEREUQCSA-N 0 0 285.840 3.839 20 10 CHCDRN COc1cc(C)ccc1NCc1c(O)cccc1Cl ZINC000121053229 1124065114 /nfs/dbraw/zinc/06/51/14/1124065114.db2.gz DKTZOMSGWTVLDE-UHFFFAOYSA-N 0 0 277.751 3.975 20 10 CHCDRN Cc1ccc([C@H](C)Nc2cnn3c2CCCC3)c(O)c1C ZINC000866460373 1124068813 /nfs/dbraw/zinc/06/88/13/1124068813.db2.gz HCDDPWBSXAVDMH-ZDUSSCGKSA-N 0 0 285.391 3.715 20 10 CHCDRN CCCc1ccc(C(=O)N(C)Cc2ccccc2O)s1 ZINC000866596923 1124085934 /nfs/dbraw/zinc/08/59/34/1124085934.db2.gz KPURXKYQJIAFTG-UHFFFAOYSA-N 0 0 289.400 3.678 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)c1ccnn1C)c1cccc(Cl)c1[O-] ZINC000866612647 1124088656 /nfs/dbraw/zinc/08/86/56/1124088656.db2.gz ATPDXRMWBKZDRD-ZWNOBZJWSA-N 0 0 293.798 3.581 20 10 CHCDRN CN(C)c1ccc(/C=C/c2ccncn2)c(C(F)(F)F)c1 ZINC000794947538 1124095389 /nfs/dbraw/zinc/09/53/89/1124095389.db2.gz XRXKULHCPYOKRG-HWKANZROSA-N 0 0 293.292 3.732 20 10 CHCDRN CN(C)c1ccc(-c2nc3c(s2)CCCC3)cc1 ZINC000016941190 1124455442 /nfs/dbraw/zinc/45/54/42/1124455442.db2.gz BPHWLYQEQTUXRZ-UHFFFAOYSA-N 0 0 258.390 3.755 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(-c2cnn(C(F)F)c2)cn1 ZINC001238867769 1131260984 /nfs/dbraw/zinc/26/09/84/1131260984.db2.gz ULYSNQHWMWQCID-UHFFFAOYSA-N 0 0 288.301 3.748 20 10 CHCDRN CCCCC[C@@H](CC)C(=O)N1Cc2cccc(O)c2C1 ZINC000871203850 1124602360 /nfs/dbraw/zinc/60/23/60/1124602360.db2.gz TYJCJWYUECZWSY-CYBMUJFWSA-N 0 0 275.392 3.841 20 10 CHCDRN CN1C(=O)/C(=C/c2cc3ccccc3s2)SC1=S ZINC000123901147 1124655442 /nfs/dbraw/zinc/65/54/42/1124655442.db2.gz RFRQTIDNOVJIFL-XFFZJAGNSA-N 0 0 291.422 3.732 20 10 CHCDRN CC(C)OC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCC1 ZINC000872116597 1124687056 /nfs/dbraw/zinc/68/70/56/1124687056.db2.gz TXDBZYYLDCECIF-LBPRGKRZSA-N 0 0 281.371 3.530 20 10 CHCDRN CCn1nccc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000124085172 1124715633 /nfs/dbraw/zinc/71/56/33/1124715633.db2.gz YVNISBGUMFKEPY-UHFFFAOYSA-N 0 0 299.418 3.553 20 10 CHCDRN C/C=C/C=C/C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000124240586 1124728112 /nfs/dbraw/zinc/72/81/12/1124728112.db2.gz VVTKMKUYPYSSMI-TTWWKFCBSA-N 0 0 297.354 3.646 20 10 CHCDRN COc1cc(N[C@@H](C)c2ccccc2O)cc(OC)c1 ZINC000019909524 1124768529 /nfs/dbraw/zinc/76/85/29/1124768529.db2.gz NOVCQYLGPPCRHR-NSHDSACASA-N 0 0 273.332 3.583 20 10 CHCDRN COc1ccc(O)c([C@@H](C)Nc2cc(C)ccc2OC)c1 ZINC000019914462 1124769911 /nfs/dbraw/zinc/76/99/11/1124769911.db2.gz ZMEUSZOGURKCCB-GFCCVEGCSA-N 0 0 287.359 3.891 20 10 CHCDRN COc1ccc(O)c([C@H](C)Nc2ccc(F)c(F)c2)c1 ZINC000019918281 1124770101 /nfs/dbraw/zinc/77/01/01/1124770101.db2.gz RMCLPJXWJYVSDN-VIFPVBQESA-N 0 0 279.286 3.852 20 10 CHCDRN C[C@H](Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1O ZINC000019913323 1124770735 /nfs/dbraw/zinc/77/07/35/1124770735.db2.gz KOOULJCVDWTEGR-VIFPVBQESA-N 0 0 293.269 3.887 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H]1CC ZINC000825679474 1124772945 /nfs/dbraw/zinc/77/29/45/1124772945.db2.gz SVNGIUOHKXLPGJ-HOCLYGCPSA-N 0 0 289.419 3.957 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2c(C3CC3)cnn2C)cc1 ZINC000825697843 1124804010 /nfs/dbraw/zinc/80/40/10/1124804010.db2.gz KNZMYAVBIJVXKK-UHFFFAOYSA-N 0 0 299.418 3.721 20 10 CHCDRN CC[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000875176009 1124882047 /nfs/dbraw/zinc/88/20/47/1124882047.db2.gz LUDOQTZDHZQTCE-BBRMVZONSA-N 0 0 298.386 3.904 20 10 CHCDRN CCCC[C@H](CC)COC(=O)NCc1ccc(N)cc1 ZINC001239318836 1131316730 /nfs/dbraw/zinc/31/67/30/1131316730.db2.gz SXAPYZOSBDZIKD-ZDUSSCGKSA-N 0 0 278.396 3.711 20 10 CHCDRN CCCCN(C(=O)/C=C\c1ccc(C)nc1)c1ccccn1 ZINC000876084936 1124923676 /nfs/dbraw/zinc/92/36/76/1124923676.db2.gz UJUHFUQZZAGZJM-KHPPLWFESA-N 0 0 295.386 3.632 20 10 CHCDRN CN(C(=O)C1(C)CCCCCC1)c1ccc(N)cc1 ZINC000877075233 1125005345 /nfs/dbraw/zinc/00/53/45/1125005345.db2.gz ATIZTWRNTMIROS-UHFFFAOYSA-N 0 0 260.381 3.592 20 10 CHCDRN Cc1ccc2c(c1)CCCN2C(=O)/C=C/c1cccnc1C ZINC001124102710 1131324790 /nfs/dbraw/zinc/32/47/90/1131324790.db2.gz SLKGUHGPOANEAD-CSKARUKUSA-N 0 0 292.382 3.691 20 10 CHCDRN CC[C@H](Cc1cccc(C)c1)C(=O)N(C)c1ccc(N)cc1 ZINC000877076447 1125006617 /nfs/dbraw/zinc/00/66/17/1125006617.db2.gz MQQFMRLLIUSVMT-MRXNPFEDSA-N 0 0 296.414 3.809 20 10 CHCDRN CN(C(=O)C[C@@H]1CCCc2ccccc21)c1ccc(N)cc1 ZINC000877078272 1125007023 /nfs/dbraw/zinc/00/70/23/1125007023.db2.gz KLXXYHKZKZUZRN-HNNXBMFYSA-N 0 0 294.398 3.742 20 10 CHCDRN Cc1ccc(CNc2ccccc2OCCF)c(O)c1 ZINC000877559704 1125044948 /nfs/dbraw/zinc/04/49/48/1125044948.db2.gz SJZODXRUIMISCH-UHFFFAOYSA-N 0 0 275.323 3.661 20 10 CHCDRN C[C@@H](NCc1scnc1Cl)c1ccc(N(C)C)cc1 ZINC000878454489 1125155400 /nfs/dbraw/zinc/15/54/00/1125155400.db2.gz DDRWKQMHZSUUES-SNVBAGLBSA-N 0 0 295.839 3.713 20 10 CHCDRN Fc1ccc(CCSc2nccs2)cc1F ZINC000127160106 1125156342 /nfs/dbraw/zinc/15/63/42/1125156342.db2.gz JNYFUYBQFWLIRU-UHFFFAOYSA-N 0 0 257.330 3.756 20 10 CHCDRN CCc1nc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])cs1 ZINC000882993201 1125365989 /nfs/dbraw/zinc/36/59/89/1125365989.db2.gz LBCANNWAJSTOIZ-QMMMGPOBSA-N 0 0 298.358 3.540 20 10 CHCDRN COc1ccc(CNCc2cc(O)ccc2Cl)cc1C ZINC000883325112 1125397275 /nfs/dbraw/zinc/39/72/75/1125397275.db2.gz OUCUBYWQWQXWOI-UHFFFAOYSA-N 0 0 291.778 3.652 20 10 CHCDRN CN(Cc1cccc(Br)c1O)c1ccccc1 ZINC000131894208 1125411534 /nfs/dbraw/zinc/41/15/34/1125411534.db2.gz OHKKMPHWSSMUFA-UHFFFAOYSA-N 0 0 292.176 3.791 20 10 CHCDRN Cc1cc(CN2CC[C@@H](C)C(F)(F)C2)ccc1N(C)C ZINC001139669587 1131353457 /nfs/dbraw/zinc/35/34/57/1131353457.db2.gz BYBVWBHTXNDXFO-CYBMUJFWSA-N 0 0 282.378 3.538 20 10 CHCDRN CC(C)(C[NH2+]Cc1cccc(Cl)c1[O-])C1CCOCC1 ZINC000897452243 1125418343 /nfs/dbraw/zinc/41/83/43/1125418343.db2.gz VBVPEKUAZCRFPT-UHFFFAOYSA-N 0 0 297.826 3.588 20 10 CHCDRN C[C@H]([N@H+](C)Cc1cc(Cl)ccc1[O-])C(C)(C)C ZINC000132557336 1125419969 /nfs/dbraw/zinc/41/99/69/1125419969.db2.gz AHFDZYKACLWTKI-JTQLQIEISA-N 0 0 255.789 3.912 20 10 CHCDRN CCC(C)(CC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000184354868 1129186690 /nfs/dbraw/zinc/18/66/90/1129186690.db2.gz ANAPIJDBINGMGN-UHFFFAOYSA-N 0 0 288.435 3.729 20 10 CHCDRN CNc1ccccc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000293860812 1129212138 /nfs/dbraw/zinc/21/21/38/1129212138.db2.gz XUBGRDQAIWBCTD-UHFFFAOYSA-N 0 0 295.386 3.581 20 10 CHCDRN COc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1OC ZINC000296822819 1129223347 /nfs/dbraw/zinc/22/33/47/1129223347.db2.gz MEKSXVOVEVWODW-CYBMUJFWSA-N 0 0 285.343 3.509 20 10 CHCDRN CCOc1ccccc1N[C@@H]1CCc2cccc(O)c21 ZINC000297142480 1129225046 /nfs/dbraw/zinc/22/50/46/1129225046.db2.gz ZMSZBYPMTJGJCA-CQSZACIVSA-N 0 0 269.344 3.890 20 10 CHCDRN CCOc1cccc(CNc2ccc(C)cc2OC)c1O ZINC000037783153 1129269355 /nfs/dbraw/zinc/26/93/55/1129269355.db2.gz MMFWIOSSOOXGAA-UHFFFAOYSA-N 0 0 287.359 3.720 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H](C)C2CC2)cc1 ZINC000144608423 1129284716 /nfs/dbraw/zinc/28/47/16/1129284716.db2.gz WMZHFWIFZAOAOJ-CQSZACIVSA-N 0 0 288.435 3.585 20 10 CHCDRN Cc1ccc2oc(NCc3ccc(N(C)C)cc3)nc2c1 ZINC000734141309 1129297363 /nfs/dbraw/zinc/29/73/63/1129297363.db2.gz HQWOEXCTLUKDQM-UHFFFAOYSA-N 0 0 281.359 3.814 20 10 CHCDRN O=C(NC(C1CCCC1)C1CCCC1)C1=CC(=O)CS1 ZINC000735521987 1129348545 /nfs/dbraw/zinc/34/85/45/1129348545.db2.gz JYZDXXUATBGNEP-UHFFFAOYSA-N 0 0 293.432 3.933 20 10 CHCDRN CCSc1ccccc1C(=O)N1CCS[C@H](C)[C@H]1C ZINC000735643629 1129355411 /nfs/dbraw/zinc/35/54/11/1129355411.db2.gz ZZVVJUKCRFAEGQ-VXGBXAGGSA-N 0 0 295.473 3.765 20 10 CHCDRN C/C(=C/c1cccnc1)C(=O)N1CCCCc2ccccc21 ZINC001124969777 1131369752 /nfs/dbraw/zinc/36/97/52/1131369752.db2.gz AQWJAIKGOAHZET-SQFISAMPSA-N 0 0 292.382 3.854 20 10 CHCDRN C[C@H]1CC[C@H](C)[NH+]1Cc1cccc(Br)c1[O-] ZINC000091937698 1129375346 /nfs/dbraw/zinc/37/53/46/1129375346.db2.gz QGKPYFRTWHJHFT-UWVGGRQHSA-N 0 0 284.197 3.528 20 10 CHCDRN CCCC(=CC(=O)NCc1cc(OC)ccc1O)CCC ZINC000092516083 1129397360 /nfs/dbraw/zinc/39/73/60/1129397360.db2.gz YVUVIAJZSXXZTD-UHFFFAOYSA-N 0 0 291.391 3.544 20 10 CHCDRN CCOc1ccc(N(C)Cc2cc(-c3ccco3)on2)cc1 ZINC000739926546 1129410070 /nfs/dbraw/zinc/41/00/70/1129410070.db2.gz HGDPEUXKMVMTPX-UHFFFAOYSA-N 0 0 298.342 3.970 20 10 CHCDRN COc1ccc2c(c1)CCCCN2Cc1cnc(C)s1 ZINC000766269654 1129432954 /nfs/dbraw/zinc/43/29/54/1129432954.db2.gz MQUYYRFRWAPALG-UHFFFAOYSA-N 0 0 288.416 3.803 20 10 CHCDRN CCCC[C@@H](COC)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796772447 1129441725 /nfs/dbraw/zinc/44/17/25/1129441725.db2.gz RXVJRUFVUJUMIT-DZGCQCFKSA-N 0 0 283.387 3.777 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000741567730 1129442500 /nfs/dbraw/zinc/44/25/00/1129442500.db2.gz UNMIHPKCVIONEW-DZGCQCFKSA-N 0 0 288.435 3.504 20 10 CHCDRN CCOc1ccc(CNc2cc(F)c(F)c(F)c2)c(O)c1 ZINC000795803391 1129448987 /nfs/dbraw/zinc/44/89/87/1129448987.db2.gz LHPULSVQRMHXHU-UHFFFAOYSA-N 0 0 297.276 3.820 20 10 CHCDRN COc1ccc2c(c1)CCCCN2Cc1cnccc1C ZINC000766279363 1129462294 /nfs/dbraw/zinc/46/22/94/1129462294.db2.gz KOARZMVGKWOHPN-UHFFFAOYSA-N 0 0 282.387 3.742 20 10 CHCDRN C[C@H](NC(=O)C1(c2ccccc2)CCC1)c1ccccc1O ZINC000827982269 1131376100 /nfs/dbraw/zinc/37/61/00/1131376100.db2.gz QJSCNVJFCZODNP-AWEZNQCLSA-N 0 0 295.382 3.691 20 10 CHCDRN CC(=O)Nc1cc(NCc2cc(C)c(C)cc2O)ccc1C ZINC000742367875 1129472477 /nfs/dbraw/zinc/47/24/77/1129472477.db2.gz OPBAUYJGOKMNAY-UHFFFAOYSA-N 0 0 298.386 3.888 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@H](CCO)CC(C)C)c1ccc(F)cc1[O-] ZINC000796781287 1129490499 /nfs/dbraw/zinc/49/04/99/1129490499.db2.gz LRLWMMCBJNPVFT-XJKSGUPXSA-N 0 0 297.414 3.617 20 10 CHCDRN Cc1cc(C(=O)NCCC2CC2)c(C)n1-c1ccccc1C ZINC000742776991 1129500647 /nfs/dbraw/zinc/50/06/47/1129500647.db2.gz PLWCLEPLIYTXAI-UHFFFAOYSA-N 0 0 296.414 3.932 20 10 CHCDRN CCN(CC1CC(F)(F)C1)c1ccc(OC)cc1 ZINC000828172532 1131379322 /nfs/dbraw/zinc/37/93/22/1131379322.db2.gz GNHBVXOTIFSCIK-UHFFFAOYSA-N 0 0 255.308 3.567 20 10 CHCDRN Fc1cc(-c2nc(CC3CC3)no2)ccc1-n1cccc1 ZINC000743277735 1129518155 /nfs/dbraw/zinc/51/81/55/1129518155.db2.gz UCODFIPPZAWXPG-UHFFFAOYSA-N 0 0 283.306 3.619 20 10 CHCDRN O=C(CCC1CC1)N(Cc1ccco1)Cc1ccccc1O ZINC000743429221 1129522524 /nfs/dbraw/zinc/52/25/24/1129522524.db2.gz GFRSXXQEAWKWAL-UHFFFAOYSA-N 0 0 299.370 3.704 20 10 CHCDRN Cc1ccc(C2=CCN(c3ccccc3)CC2)c(C)n1 ZINC001241352452 1129523301 /nfs/dbraw/zinc/52/33/01/1129523301.db2.gz VKCHLCGISCDSHN-UHFFFAOYSA-N 0 0 264.372 3.992 20 10 CHCDRN Cc1ccccc1[C@@H](NC(=O)C1=CC(=O)CS1)C(C)C ZINC000743444580 1129524827 /nfs/dbraw/zinc/52/48/27/1129524827.db2.gz PSRDKTXPNWMIFO-HNNXBMFYSA-N 0 0 289.400 3.889 20 10 CHCDRN CCOc1ccc(N(C)Cc2cccc(Cl)n2)cc1 ZINC000743851546 1129540382 /nfs/dbraw/zinc/54/03/82/1129540382.db2.gz VQRIXVSHPYUFGP-UHFFFAOYSA-N 0 0 276.767 3.770 20 10 CHCDRN Cn1c2ccc(OCc3ccno3)cc2c2c1CCCC2 ZINC000647164215 1129553837 /nfs/dbraw/zinc/55/38/37/1129553837.db2.gz LWBSUFOOHUPZNO-UHFFFAOYSA-N 0 0 282.343 3.624 20 10 CHCDRN COc1ccc(N(CCCCCCCO)C(C)C)cc1F ZINC000744393482 1129575582 /nfs/dbraw/zinc/57/55/82/1129575582.db2.gz MCZRFSZNOYFBQO-UHFFFAOYSA-N 0 0 297.414 3.992 20 10 CHCDRN COc1ccc2c(c1)CCCN2Cc1ccnc(Cl)c1 ZINC000745455738 1129605661 /nfs/dbraw/zinc/60/56/61/1129605661.db2.gz ILWGOEXMBFAIOE-UHFFFAOYSA-N 0 0 288.778 3.696 20 10 CHCDRN CCOc1ccc(N(CC)Cc2nc(C(C)C)no2)cc1 ZINC000746159679 1129627471 /nfs/dbraw/zinc/62/74/71/1129627471.db2.gz YNHQDULABXLPTL-UHFFFAOYSA-N 0 0 289.379 3.618 20 10 CHCDRN CNc1ccccc1NCCCCc1ccccn1 ZINC001168802545 1129673394 /nfs/dbraw/zinc/67/33/94/1129673394.db2.gz JNMCEJLUZKNRTM-UHFFFAOYSA-N 0 0 255.365 3.558 20 10 CHCDRN Cc1ccccc1[C@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000828538927 1131389820 /nfs/dbraw/zinc/38/98/20/1131389820.db2.gz FFTVGLMZPXHFMG-KBPBESRZSA-N 0 0 283.371 3.682 20 10 CHCDRN 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287.407 3.605 20 10 CHCDRN Cc1cc2c(ccnc2NCc2ccc(O)c(O)c2)s1 ZINC001169993958 1129863676 /nfs/dbraw/zinc/86/36/76/1129863676.db2.gz VZVNZSVRHOCSIL-UHFFFAOYSA-N 0 0 286.356 3.628 20 10 CHCDRN C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001461002512 1129900166 /nfs/dbraw/zinc/90/01/66/1129900166.db2.gz XXSJNQUAAVMJFA-RNCFNFMXSA-N 0 0 271.763 3.853 20 10 CHCDRN CCN(CC)c1ccc(CNc2ccc(OC)cn2)cc1 ZINC000769405585 1129906767 /nfs/dbraw/zinc/90/67/67/1129906767.db2.gz IVQGSGJRMURXEP-UHFFFAOYSA-N 0 0 285.391 3.549 20 10 CHCDRN [O-]c1ccc(Cl)cc1C[NH+](CC1CC1)CC1CC1 ZINC000769452680 1129910793 /nfs/dbraw/zinc/91/07/93/1129910793.db2.gz YKVKQPDCTSQUBN-UHFFFAOYSA-N 0 0 265.784 3.668 20 10 CHCDRN C[C@@H](CCC1CC1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000769558766 1129917919 /nfs/dbraw/zinc/91/79/19/1129917919.db2.gz JBVQQCCFGITYCZ-VIFPVBQESA-N 0 0 271.763 3.853 20 10 CHCDRN Cc1ccccc1NC(=S)NNc1c(C)cccc1F ZINC000769764780 1129922437 /nfs/dbraw/zinc/92/24/37/1129922437.db2.gz YXGGEZSXUJDDGC-UHFFFAOYSA-N 0 0 289.379 3.756 20 10 CHCDRN CCC/C=C\C(=O)N(CCCC)Cc1ccccc1O ZINC000801550268 1129926658 /nfs/dbraw/zinc/92/66/58/1129926658.db2.gz VJXFJFNYOCBKTO-GHXNOFRVSA-N 0 0 275.392 3.877 20 10 CHCDRN CC(=O)c1cc(F)cc(C[N@@H+](CC2CCC2)C(C)C)c1[O-] ZINC000769925155 1129932605 /nfs/dbraw/zinc/93/26/05/1129932605.db2.gz DRQHZZBOLVHAGT-UHFFFAOYSA-N 0 0 293.382 3.744 20 10 CHCDRN COc1cccc(O)c1CNc1ccc(C)c(Cl)c1 ZINC000770401409 1129945859 /nfs/dbraw/zinc/94/58/59/1129945859.db2.gz IDBHAQWSBBGLJO-UHFFFAOYSA-N 0 0 277.751 3.975 20 10 CHCDRN c1ccn(-c2ccc(-c3nc(-c4ccoc4)no3)cc2)c1 ZINC000771194470 1129973245 /nfs/dbraw/zinc/97/32/45/1129973245.db2.gz LTZMUYHSUXIZKO-UHFFFAOYSA-N 0 0 277.283 3.787 20 10 CHCDRN CCCc1nc(C)c(CSc2nccs2)o1 ZINC000829099861 1131411669 /nfs/dbraw/zinc/41/16/69/1131411669.db2.gz AFQXTJGXZLRLFO-UHFFFAOYSA-N 0 0 254.380 3.684 20 10 CHCDRN CC[C@@H](Nc1ccc(OC(F)F)nc1)c1ccccc1O ZINC000802320411 1129992922 /nfs/dbraw/zinc/99/29/22/1129992922.db2.gz DJRNNPSMMDDVSG-GFCCVEGCSA-N 0 0 294.301 3.952 20 10 CHCDRN Cc1cncc(/C=C/C(=O)N2CCCc3cccc(F)c32)c1 ZINC000772036659 1130001139 /nfs/dbraw/zinc/00/11/39/1130001139.db2.gz CFEXHYZTZKUACQ-BQYQJAHWSA-N 0 0 296.345 3.522 20 10 CHCDRN COc1ccc2c(c1)CCN2Cc1cccc2cc[nH]c21 ZINC000772600740 1130033888 /nfs/dbraw/zinc/03/38/88/1130033888.db2.gz YDEKJYORDMGGLB-UHFFFAOYSA-N 0 0 278.355 3.739 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000786577668 1130106961 /nfs/dbraw/zinc/10/69/61/1130106961.db2.gz CDYVMQHFLSUMNV-UHFFFAOYSA-N 0 0 286.762 3.817 20 10 CHCDRN CN(Cc1ccccc1O)c1ccc2ccc(F)cc2n1 ZINC000786796189 1130117120 /nfs/dbraw/zinc/11/71/20/1130117120.db2.gz BJCWSRVCEZSEIU-UHFFFAOYSA-N 0 0 282.318 3.716 20 10 CHCDRN COc1ncc(-c2ccc(-n3c(C)ccc3C)cc2)cn1 ZINC001239846493 1130132053 /nfs/dbraw/zinc/13/20/53/1130132053.db2.gz HWRFZLIPHKBSJB-UHFFFAOYSA-N 0 0 279.343 3.560 20 10 CHCDRN CC(C)Oc1ccc(N(C)C[C@@H]2CCSC2)cc1 ZINC000787289037 1130142642 /nfs/dbraw/zinc/14/26/42/1130142642.db2.gz IBXUZVKJHSBUTM-ZDUSSCGKSA-N 0 0 265.422 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20 10 CHCDRN CCOc1ccc(-c2ccc3ccn(C)c3c2)c(C)n1 ZINC001240574964 1130368367 /nfs/dbraw/zinc/36/83/67/1130368367.db2.gz MNSCOEXHQDXYGZ-UHFFFAOYSA-N 0 0 266.344 3.947 20 10 CHCDRN Cn1ccc2ccc(-c3ccc(N4CCCC4)nc3)cc21 ZINC001240574240 1130368555 /nfs/dbraw/zinc/36/85/55/1130368555.db2.gz ARJMXOKZMYSYDD-UHFFFAOYSA-N 0 0 277.371 3.841 20 10 CHCDRN C[C@@H](O)CCCSc1ncc(C(C)(C)C)s1 ZINC000756664397 1130433012 /nfs/dbraw/zinc/43/30/12/1130433012.db2.gz CIKMHKUNNRPNJJ-SECBINFHSA-N 0 0 259.440 3.694 20 10 CHCDRN CC(C)[N@@H+](Cc1c([O-])ccc(Cl)c1F)CC1CC1 ZINC000792162140 1130433025 /nfs/dbraw/zinc/43/30/25/1130433025.db2.gz FWDWPXFTXUOFBS-UHFFFAOYSA-N 0 0 271.763 3.805 20 10 CHCDRN [O-]c1ccc(Cl)c(F)c1C[NH+](CC1CC1)CC1CC1 ZINC000792166557 1130433771 /nfs/dbraw/zinc/43/37/71/1130433771.db2.gz SXFVOAGEMKKAOP-UHFFFAOYSA-N 0 0 283.774 3.807 20 10 CHCDRN C[C@@H]([N@H+](C)Cc1c([O-])ccc(Cl)c1F)C1(C)CC1 ZINC000792170646 1130435929 /nfs/dbraw/zinc/43/59/29/1130435929.db2.gz SXFNQPJJLXCKIK-SECBINFHSA-N 0 0 271.763 3.805 20 10 CHCDRN COc1ccc(N(C)CC2(OC)CCCC2)cc1Cl ZINC000792174324 1130436068 /nfs/dbraw/zinc/43/60/68/1130436068.db2.gz RQUBENODMVMYLA-UHFFFAOYSA-N 0 0 283.799 3.744 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)c1ccsc1C(F)F ZINC001137345783 1130446913 /nfs/dbraw/zinc/44/69/13/1130446913.db2.gz XCUSQWDFXUYDAE-UHFFFAOYSA-N 0 0 297.326 3.664 20 10 CHCDRN O=C(C1=CC(=O)CS1)N1CC2(CCC2)c2ccccc21 ZINC000792502754 1130449213 /nfs/dbraw/zinc/44/92/13/1130449213.db2.gz MYMXDINEAYVMPH-UHFFFAOYSA-N 0 0 285.368 3.536 20 10 CHCDRN CC(C)(C)c1cnc(SCCOCC2CC2)s1 ZINC000758386177 1130536723 /nfs/dbraw/zinc/53/67/23/1130536723.db2.gz VDJOGFBRLSDXBT-UHFFFAOYSA-N 0 0 271.451 3.959 20 10 CHCDRN C[C@H](OC(=O)C1=CC(=O)CS1)c1ncc(C(C)(C)C)o1 ZINC000747700921 1130604823 /nfs/dbraw/zinc/60/48/23/1130604823.db2.gz MCMBHTQKJTUNGS-QMMMGPOBSA-N 0 0 295.360 3.657 20 10 CHCDRN CCCc1cnc(NCc2ccc(OCC)cc2O)s1 ZINC000758459437 1130613211 /nfs/dbraw/zinc/61/32/11/1130613211.db2.gz YDNFBHKKMXZNJA-UHFFFAOYSA-N 0 0 292.404 3.812 20 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283.422 3.985 20 10 CHCDRN CC(C)(C)c1cnc(Sc2cccnc2[N+](=O)[O-])s1 ZINC000759718083 1130671892 /nfs/dbraw/zinc/67/18/92/1130671892.db2.gz QYSBAICSBDAFIH-UHFFFAOYSA-N 0 0 295.389 3.895 20 10 CHCDRN Cc1cc(Cl)cnc1NCc1ccc(N(C)C)cc1 ZINC000812345586 1130685373 /nfs/dbraw/zinc/68/53/73/1130685373.db2.gz FOCHSAYJKBYXPI-UHFFFAOYSA-N 0 0 275.783 3.722 20 10 CHCDRN CCOc1ccc(CNc2ncc(Cl)cc2C)c(O)c1 ZINC000812345788 1130685926 /nfs/dbraw/zinc/68/59/26/1130685926.db2.gz OJUFCDBZXVHFDS-UHFFFAOYSA-N 0 0 292.766 3.760 20 10 CHCDRN COc1ccc(N(C)Cc2cc(C)oc2C)cc1F ZINC000780779479 1130691405 /nfs/dbraw/zinc/69/14/05/1130691405.db2.gz HDWLIOSSVOEBFX-UHFFFAOYSA-N 0 0 263.312 3.681 20 10 CHCDRN Cc1cccc(CN2CC3(CC3)c3ccccc32)c1O ZINC000780774001 1130692009 /nfs/dbraw/zinc/69/20/09/1130692009.db2.gz FXRCPZXTQUQDMU-UHFFFAOYSA-N 0 0 265.356 3.752 20 10 CHCDRN Cc1cccc(C)c1NC(=S)NNc1ccccc1F ZINC000812474739 1130695136 /nfs/dbraw/zinc/69/51/36/1130695136.db2.gz AEHYRUIHSUOSOU-UHFFFAOYSA-N 0 0 289.379 3.756 20 10 CHCDRN C[C@H](NC(=O)CCCC1CC1)c1ccc(N(C)C)cc1 ZINC000812543841 1130698445 /nfs/dbraw/zinc/69/84/45/1130698445.db2.gz LPHFBHSNLFNVAE-ZDUSSCGKSA-N 0 0 274.408 3.510 20 10 CHCDRN Cc1cc2c(cc1N[C@H](C)c1ccc(N(C)C)cc1)OCO2 ZINC000781429061 1130717291 /nfs/dbraw/zinc/71/72/91/1130717291.db2.gz XSDYOJJSGUIQPH-CYBMUJFWSA-N 0 0 298.386 3.963 20 10 CHCDRN CN(CCC(C)(C)O)c1ccc(OCc2ccccc2)cc1 ZINC000781964458 1130751571 /nfs/dbraw/zinc/75/15/71/1130751571.db2.gz VGLVALRFKLLUNF-UHFFFAOYSA-N 0 0 299.414 3.863 20 10 CHCDRN COCCCN(C)c1ccc(OCc2ccccc2)cc1 ZINC000781964681 1130751735 /nfs/dbraw/zinc/75/17/35/1130751735.db2.gz XSJRNGIBKJBDDA-UHFFFAOYSA-N 0 0 285.387 3.738 20 10 CHCDRN COc1ccc2c(c1)CCN2Cc1ccc2[nH]ccc2c1 ZINC000813334678 1130761461 /nfs/dbraw/zinc/76/14/61/1130761461.db2.gz URYMEXUNZFXFEA-UHFFFAOYSA-N 0 0 278.355 3.739 20 10 CHCDRN Cc1cc2c(cn1)CN(Cc1ccc(C(C)(C)C)cc1O)C2 ZINC001235677860 1130766125 /nfs/dbraw/zinc/76/61/25/1130766125.db2.gz IATPEGYRYRUHBY-UHFFFAOYSA-N 0 0 296.414 3.909 20 10 CHCDRN CC[C@H]([NH2+]CC(C)(C)COC)c1cccc(Cl)c1[O-] ZINC000813882904 1130795200 /nfs/dbraw/zinc/79/52/00/1130795200.db2.gz ONXPNDWXRQBPJO-ZDUSSCGKSA-N 0 0 285.815 3.759 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000783310154 1130814661 /nfs/dbraw/zinc/81/46/61/1130814661.db2.gz NUYIMECTHVBATI-WCABBAIRSA-N 0 0 255.308 3.510 20 10 CHCDRN Cc1cccc(/C=C2/SC(=S)N(C3CCC3)C2=O)c1 ZINC000814185318 1130842799 /nfs/dbraw/zinc/84/27/99/1130842799.db2.gz DBEFRTYUAXITJR-UKTHLTGXSA-N 0 0 289.425 3.749 20 10 CHCDRN Cc1ccccc1/C=C1/SC(=S)N(C2CCC2)C1=O ZINC000814185199 1130843117 /nfs/dbraw/zinc/84/31/17/1130843117.db2.gz BNCUOHROUJMTLE-UKTHLTGXSA-N 0 0 289.425 3.749 20 10 CHCDRN Cc1ccc2c(c1)CCCN2C(=O)/C=C/c1cnccc1C ZINC000783743069 1130851984 /nfs/dbraw/zinc/85/19/84/1130851984.db2.gz YKVITBHRKTVTMN-SOFGYWHQSA-N 0 0 292.382 3.691 20 10 CHCDRN C/C(=C\C(C)(C)C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827969618 1130854778 /nfs/dbraw/zinc/85/47/78/1130854778.db2.gz QCOAVUSASYVLAZ-IIANPFDCSA-N 0 0 261.365 3.562 20 10 CHCDRN Cc1ccncc1/C=C\C(=O)N1C[C@@H](C)c2ccccc21 ZINC000783906484 1130863032 /nfs/dbraw/zinc/86/30/32/1130863032.db2.gz HUTSTNXAYZLELN-WBTMPAOCSA-N 0 0 278.355 3.554 20 10 CHCDRN Cc1ccc(N(C)C(=O)/C=C/c2cnccc2C)cc1C ZINC000783920400 1130863140 /nfs/dbraw/zinc/86/31/40/1130863140.db2.gz PWDABCQXWVTUEZ-SOFGYWHQSA-N 0 0 280.371 3.683 20 10 CHCDRN CN(C)c1ccc(CNC(=O)C(C)(C)C(C)(C)C)cc1F ZINC000814672564 1130896409 /nfs/dbraw/zinc/89/64/09/1130896409.db2.gz NKMREVVCEWWVEU-UHFFFAOYSA-N 0 0 294.414 3.580 20 10 CHCDRN CC[C@@H]([NH2+]CCc1ccsc1)c1ccc(F)cc1[O-] ZINC000796682314 1130924323 /nfs/dbraw/zinc/92/43/23/1130924323.db2.gz IROBLRZQQARSHE-CQSZACIVSA-N 0 0 279.380 3.876 20 10 CHCDRN CCCC[C@@H](COC)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796772455 1130930913 /nfs/dbraw/zinc/93/09/13/1130930913.db2.gz RXVJRUFVUJUMIT-ZFWWWQNUSA-N 0 0 283.387 3.777 20 10 CHCDRN CC[C@@H]([NH2+]CCC1CCC1)c1ccc(F)cc1[O-] ZINC000796837992 1130937942 /nfs/dbraw/zinc/93/79/42/1130937942.db2.gz GXCKICZWZRUSGG-CQSZACIVSA-N 0 0 251.345 3.762 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796857700 1130940781 /nfs/dbraw/zinc/94/07/81/1130940781.db2.gz SZAMFJULTHKZEI-WJNVRWDZSA-N 0 0 281.371 3.528 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc(F)cc1[O-] ZINC000796952762 1130948959 /nfs/dbraw/zinc/94/89/59/1130948959.db2.gz HZSNQICBBDXHCW-JSGCOSHPSA-N 0 0 281.371 3.530 20 10 CHCDRN CCc1ccc2c(c1)CCN2C(=O)/C=C\c1cccnc1C ZINC001134825666 1130949802 /nfs/dbraw/zinc/94/98/02/1130949802.db2.gz WHOKJRQSMXJWQC-CLFYSBASSA-N 0 0 292.382 3.555 20 10 CHCDRN CC(F)(F)CNCc1cc(-c2ccccc2)ccc1O ZINC000815147269 1130967412 /nfs/dbraw/zinc/96/74/12/1130967412.db2.gz RFXOKUGEAMSWDZ-UHFFFAOYSA-N 0 0 277.314 3.804 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC23CC3)c1 ZINC001236673057 1130991643 /nfs/dbraw/zinc/99/16/43/1130991643.db2.gz JFUBSSZKDBRITE-UHFFFAOYSA-N 0 0 296.208 3.592 20 10 CHCDRN CC1(C)CC(CC(=O)NCCCSc2nccs2)C1 ZINC000815590778 1131004610 /nfs/dbraw/zinc/00/46/10/1131004610.db2.gz IPNSITORTBMRNG-UHFFFAOYSA-N 0 0 298.477 3.568 20 10 CHCDRN CC1=CCC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000797822640 1131007863 /nfs/dbraw/zinc/00/78/63/1131007863.db2.gz CXJYYHOQMHVNKC-UHFFFAOYSA-N 0 0 253.345 3.697 20 10 CHCDRN Oc1cc(Cl)c(Cl)cc1CN1CCc2occc2C1 ZINC001236795258 1131008945 /nfs/dbraw/zinc/00/89/45/1131008945.db2.gz BGOPIXFHHNGLBB-UHFFFAOYSA-N 0 0 298.169 3.850 20 10 CHCDRN C[C@@H]1CCN(Cc2cc(Cl)c(Cl)cc2O)C[C@H]1F ZINC001236792646 1131009100 /nfs/dbraw/zinc/00/91/00/1131009100.db2.gz GJQWMCYYXFAYDB-PRHODGIISA-N 0 0 292.181 3.879 20 10 CHCDRN COc1ccc(C[NH+]2CCCCCCC2)c([O-])c1Cl ZINC001236812489 1131011109 /nfs/dbraw/zinc/01/11/09/1131011109.db2.gz XJCAMKCAVGTDIQ-UHFFFAOYSA-N 0 0 283.799 3.820 20 10 CHCDRN COc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c([O-])c1Cl ZINC001236803278 1131012744 /nfs/dbraw/zinc/01/27/44/1131012744.db2.gz YNBBSNFMOYINSW-RYUDHWBXSA-N 0 0 295.810 3.676 20 10 CHCDRN Cc1cc2c(cn1)CN(Cc1cc3ccccc3cc1O)C2 ZINC001236831134 1131016039 /nfs/dbraw/zinc/01/60/39/1131016039.db2.gz FJZNTQYFCOJYIN-UHFFFAOYSA-N 0 0 290.366 3.765 20 10 CHCDRN C[C@@H]([NH2+]Cc1c(F)cc(F)cc1F)c1ccc(F)cc1[O-] ZINC000815650278 1131017746 /nfs/dbraw/zinc/01/77/46/1131017746.db2.gz NJHMAAZOVKVPRC-MRVPVSSYSA-N 0 0 299.267 3.799 20 10 CHCDRN C[C@@H]([NH2+]Cc1ccco1)c1cccc(C(F)(F)F)c1[O-] ZINC000798179818 1131027845 /nfs/dbraw/zinc/02/78/45/1131027845.db2.gz OOGXSQDAQUQFTO-SECBINFHSA-N 0 0 285.265 3.855 20 10 CHCDRN Cc1cc2c(cn1)CN(Cc1ccc(C(C)C)cc1O)C2 ZINC001237049649 1131039494 /nfs/dbraw/zinc/03/94/94/1131039494.db2.gz QSWNSAYCUHYTDP-UHFFFAOYSA-N 0 0 282.387 3.735 20 10 CHCDRN CC(C)c1ccc(C[N@@H+]2CCC[C@H]2c2cnccn2)c(O)c1 ZINC001237048489 1131041193 /nfs/dbraw/zinc/04/11/93/1131041193.db2.gz GYRNCTMJRKWWFJ-KRWDZBQOSA-N 0 0 297.402 3.643 20 10 CHCDRN CC(C)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c(O)c1 ZINC001237045797 1131041269 /nfs/dbraw/zinc/04/12/69/1131041269.db2.gz KXLYKEPEYOKJFL-GASCZTMLSA-N 0 0 259.393 3.748 20 10 CHCDRN Oc1ccc(Cl)c(Cl)c1CN1CCn2cccc2C1 ZINC001237083085 1131048022 /nfs/dbraw/zinc/04/80/22/1131048022.db2.gz YQRKXDKGDJJDSK-UHFFFAOYSA-N 0 0 297.185 3.516 20 10 CHCDRN C[N@H+](Cc1c([O-])ccc(Cl)c1Cl)C(C)(C)C ZINC001237083038 1131048046 /nfs/dbraw/zinc/04/80/46/1131048046.db2.gz XBTOFYQRQUIGQQ-UHFFFAOYSA-N 0 0 262.180 3.929 20 10 CHCDRN Oc1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001237126661 1131055475 /nfs/dbraw/zinc/05/54/75/1131055475.db2.gz OFIONGKJYCCYAM-ZWNOBZJWSA-N 0 0 283.774 3.949 20 10 CHCDRN Oc1ccc(F)c(Cl)c1C[N@@H+]1CCCC2(CCC2)C1 ZINC001237127937 1131055881 /nfs/dbraw/zinc/05/58/81/1131055881.db2.gz KFINYMJEUILSOG-UHFFFAOYSA-N 0 0 283.774 3.951 20 10 CHCDRN C[C@@H]1CCN(Cc2cc(C(F)(F)F)ccc2O)C[C@H]1F ZINC001237137130 1131056247 /nfs/dbraw/zinc/05/62/47/1131056247.db2.gz MOQPJGJPHBASIB-BXKDBHETSA-N 0 0 291.288 3.591 20 10 CHCDRN C[N@@H+](Cc1c(O)ccc(F)c1Cl)C[C@@H]1CC1(C)C ZINC001237127864 1131056475 /nfs/dbraw/zinc/05/64/75/1131056475.db2.gz HAJKRWCAUWTSTJ-VIFPVBQESA-N 0 0 271.763 3.663 20 10 CHCDRN Oc1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001237127224 1131056725 /nfs/dbraw/zinc/05/67/25/1131056725.db2.gz XCMRYRCTEJGSOH-MRVPVSSYSA-N 0 0 293.716 3.662 20 10 CHCDRN CC(C)[N@H+](Cc1cc(Cl)c(F)cc1[O-])C1CC1 ZINC000816488010 1131100094 /nfs/dbraw/zinc/10/00/94/1131100094.db2.gz FXBPKXIBFPSQAZ-UHFFFAOYSA-N 0 0 257.736 3.558 20 10 CHCDRN CC(C)[N@@H+](Cc1cc(Cl)c(F)cc1[O-])CC1CC1 ZINC000816490910 1131100622 /nfs/dbraw/zinc/10/06/22/1131100622.db2.gz ORAVPXLFRHEBRW-UHFFFAOYSA-N 0 0 271.763 3.805 20 10 CHCDRN CC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816494812 1131100965 /nfs/dbraw/zinc/10/09/65/1131100965.db2.gz AIWIFLFGMRVBOB-SNVBAGLBSA-N 0 0 257.736 3.559 20 10 CHCDRN C[C@H]1C[NH+](Cc2cc(Cl)c(F)cc2[O-])C[C@H](C)S1 ZINC000816497568 1131102211 /nfs/dbraw/zinc/10/22/11/1131102211.db2.gz IKULQISLPANOMH-IUCAKERBSA-N 0 0 289.803 3.511 20 10 CHCDRN CC(C)(C)CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816533130 1131105536 /nfs/dbraw/zinc/10/55/36/1131105536.db2.gz KAYWXYJGLWZOLR-UHFFFAOYSA-N 0 0 259.752 3.711 20 10 CHCDRN C[C@H](Cc1cccs1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816532632 1131105714 /nfs/dbraw/zinc/10/57/14/1131105714.db2.gz PKUKKHNTFAOCJH-SECBINFHSA-N 0 0 299.798 3.967 20 10 CHCDRN CC(C)(C)SCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816547624 1131107201 /nfs/dbraw/zinc/10/72/01/1131107201.db2.gz BYFQUOHVDCKXSR-UHFFFAOYSA-N 0 0 291.819 3.806 20 10 CHCDRN Cc1ccsc1CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816560277 1131111347 /nfs/dbraw/zinc/11/13/47/1131111347.db2.gz KGXKFOMZWHXVIW-UHFFFAOYSA-N 0 0 299.798 3.887 20 10 CHCDRN CC(C)CSCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816559200 1131111401 /nfs/dbraw/zinc/11/14/01/1131111401.db2.gz BJNPMLGNXCXOHD-UHFFFAOYSA-N 0 0 291.819 3.664 20 10 CHCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001139682706 1131112008 /nfs/dbraw/zinc/11/20/08/1131112008.db2.gz BEZAGXSMWMAMDV-XHDPSFHLSA-N 0 0 281.346 3.825 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCCCS1 ZINC000816566974 1131112549 /nfs/dbraw/zinc/11/25/49/1131112549.db2.gz MWCDVJAUMIFCPI-SNVBAGLBSA-N 0 0 289.803 3.560 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000816615509 1131116582 /nfs/dbraw/zinc/11/65/82/1131116582.db2.gz YDWNRMMMHBANMF-HNNXBMFYSA-N 0 0 295.785 3.949 20 10 CHCDRN CC(C)(C)C1CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139684735 1131119871 /nfs/dbraw/zinc/11/98/71/1131119871.db2.gz KSLFTDXOIHKCDK-UHFFFAOYSA-N 0 0 283.362 3.929 20 10 CHCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCC2(CCCC2)C1 ZINC001237799806 1131140855 /nfs/dbraw/zinc/14/08/55/1131140855.db2.gz UTGCGWPLNWGAGK-UHFFFAOYSA-N 0 0 283.774 3.951 20 10 CHCDRN Clc1cnc2[nH]c(-c3ccc(N4CCCC4)cc3)nc2c1 ZINC001116388448 1131143188 /nfs/dbraw/zinc/14/31/88/1131143188.db2.gz MUMUHGLJKGYZHY-UHFFFAOYSA-N 0 0 298.777 3.879 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000817410019 1131160224 /nfs/dbraw/zinc/16/02/24/1131160224.db2.gz HYPWIHZJPCLJPK-LBPRGKRZSA-N 0 0 297.851 3.669 20 10 CHCDRN Cc1cc(F)cc(C[N@@H+](C)[C@@H]2CCc3ccccc32)c1O ZINC001238067377 1131166751 /nfs/dbraw/zinc/16/67/51/1131166751.db2.gz SUUUVFQHOZVVDU-QGZVFWFLSA-N 0 0 285.362 3.959 20 10 CHCDRN CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(Cl)ccc2O)CCO1 ZINC000817587417 1131174437 /nfs/dbraw/zinc/17/44/37/1131174437.db2.gz WLHNXCOBEADBRV-WCFLWFBJSA-N 0 0 283.799 3.654 20 10 CHCDRN Cc1ccc([C@@H](C)Nc2ccc3c(c2)CCN3)c(O)c1 ZINC000817948745 1131188948 /nfs/dbraw/zinc/18/89/48/1131188948.db2.gz DEGBKOHIZKPKCU-GFCCVEGCSA-N 0 0 268.360 3.842 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000168860664 1131199829 /nfs/dbraw/zinc/19/98/29/1131199829.db2.gz JSAZKOLLTZJRIW-PWSUYJOCSA-N 0 0 251.345 3.761 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@H](C)F)cc1 ZINC000818296678 1131207391 /nfs/dbraw/zinc/20/73/91/1131207391.db2.gz FAISHNVVBVGMRI-LBPRGKRZSA-N 0 0 288.366 3.572 20 10 CHCDRN C[C@H](N[C@@H]1C[C@H](C)c2c1c(O)ccc2F)C(F)(F)F ZINC000818356642 1131211870 /nfs/dbraw/zinc/21/18/70/1131211870.db2.gz OWZNRLPPMOWEFB-ACLDMZEESA-N 0 0 277.261 3.620 20 10 CHCDRN CC(C)CCCCCC(=O)NCCc1ccc(N)cc1 ZINC000818545129 1131216012 /nfs/dbraw/zinc/21/60/12/1131216012.db2.gz KGTWCRHNEIPXFK-UHFFFAOYSA-N 0 0 276.424 3.534 20 10 CHCDRN CCN(Cc1cccc(F)c1F)Cc1c(O)cccc1F ZINC001137840030 1131421463 /nfs/dbraw/zinc/42/14/63/1131421463.db2.gz PRXCPAMOSWJNMC-UHFFFAOYSA-N 0 0 295.304 3.832 20 10 CHCDRN [O-]c1cccc(F)c1C[N@@H+]1CCSc2ccccc2C1 ZINC001137840066 1131421741 /nfs/dbraw/zinc/42/17/41/1131421741.db2.gz QSDALXOGZXJMGN-UHFFFAOYSA-N 0 0 289.375 3.639 20 10 CHCDRN C[C@H]1CC[C@H]([N@H+](C)Cc2c([O-])cccc2F)CC1 ZINC001137841868 1131422166 /nfs/dbraw/zinc/42/21/66/1131422166.db2.gz YEWXBLUXPMWVFO-HAQNSBGRSA-N 0 0 251.345 3.542 20 10 CHCDRN Cc1cc(CN2CCC(=O)[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001137854374 1131424231 /nfs/dbraw/zinc/42/42/31/1131424231.db2.gz SUJLZNOFIUZJFM-CQSZACIVSA-N 0 0 296.414 3.505 20 10 CHCDRN Cc1cc(CN2C[C@@H](F)[C@@H](F)C2)c(C)n1-c1ccccc1 ZINC001137853915 1131424545 /nfs/dbraw/zinc/42/45/45/1131424545.db2.gz ASKUBTAMWGBEBD-CALCHBBNSA-N 0 0 290.357 3.586 20 10 CHCDRN CC[N@H+](Cc1ccccc1O)Cc1cc(F)c(F)cc1F ZINC001137892297 1131430321 /nfs/dbraw/zinc/43/03/21/1131430321.db2.gz NYZHWWYVWCYEHS-UHFFFAOYSA-N 0 0 295.304 3.832 20 10 CHCDRN Cc1ccc(C[N@@H+](C)Cc2cccc(F)c2[O-])cc1C ZINC001138129514 1131469840 /nfs/dbraw/zinc/46/98/40/1131469840.db2.gz HZQVWAXZVSSGHQ-UHFFFAOYSA-N 0 0 273.351 3.780 20 10 CHCDRN CC[N@H+](Cc1cccc(F)c1[O-])Cc1cccc(F)c1F ZINC001138129397 1131469863 /nfs/dbraw/zinc/46/98/63/1131469863.db2.gz AUMWDRQSFYPNBB-UHFFFAOYSA-N 0 0 295.304 3.832 20 10 CHCDRN Cc1cccc(CC[N@@H+](C)Cc2cccc(F)c2[O-])c1 ZINC001138128467 1131469878 /nfs/dbraw/zinc/46/98/78/1131469878.db2.gz LZNYZXABEWBEMI-UHFFFAOYSA-N 0 0 273.351 3.514 20 10 CHCDRN C[N@H+](C/C=C/c1ccccc1)Cc1cccc(F)c1[O-] ZINC001138128315 1131469952 /nfs/dbraw/zinc/46/99/52/1131469952.db2.gz CJUQJBUQCWOXEA-RMKNXTFCSA-N 0 0 271.335 3.677 20 10 CHCDRN FC[C@H]1CCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC001138222126 1131478830 /nfs/dbraw/zinc/47/88/30/1131478830.db2.gz HRBDEYGWNSUMAN-QGZVFWFLSA-N 0 0 276.399 3.611 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000824942344 1131490585 /nfs/dbraw/zinc/49/05/85/1131490585.db2.gz YUUKGCUGFCHSQE-DZGCQCFKSA-N 0 0 277.795 3.666 20 10 CHCDRN CC1(C2([NH2+]Cc3cc(Cl)cc(F)c3[O-])CC2)CC1 ZINC000825124261 1131500047 /nfs/dbraw/zinc/50/00/47/1131500047.db2.gz LDCFRDAFCOWBPB-UHFFFAOYSA-N 0 0 269.747 3.607 20 10 CHCDRN Cc1cc(O)c(CNc2ccc3c(c2)COC3)cc1Cl ZINC000825379545 1131509163 /nfs/dbraw/zinc/50/91/63/1131509163.db2.gz QGOMKPUMDRIINY-UHFFFAOYSA-N 0 0 289.762 3.996 20 10 CHCDRN CC1=C(C)C[C@@H](C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000843519973 1131515556 /nfs/dbraw/zinc/51/55/56/1131515556.db2.gz OXGDAFCNYSFERT-INIZCTEOSA-N 0 0 286.419 3.505 20 10 CHCDRN CC[C@H]1CCN1C(=O)c1sccc1-n1c(C)ccc1C ZINC000843895666 1131522660 /nfs/dbraw/zinc/52/26/60/1131522660.db2.gz PEVOLRJRSACGSA-ZDUSSCGKSA-N 0 0 288.416 3.780 20 10 CHCDRN CC1(C)CCC[C@H]1[C@@H]1CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000844150211 1131534922 /nfs/dbraw/zinc/53/49/22/1131534922.db2.gz XRNZBJWHSTWBAC-YPMHNXCESA-N 0 0 293.432 3.742 20 10 CHCDRN CCCc1nc(CN(C)c2ccc(OC)cc2)cs1 ZINC000844353730 1131553767 /nfs/dbraw/zinc/55/37/67/1131553767.db2.gz XXXDIIKNGMCYCS-UHFFFAOYSA-N 0 0 276.405 3.741 20 10 CHCDRN COc1ccc(N(C)CCCCOC(C)(C)C)cc1 ZINC000844353154 1131554065 /nfs/dbraw/zinc/55/40/65/1131554065.db2.gz PKQRLDKICRXTIQ-UHFFFAOYSA-N 0 0 265.397 3.727 20 10 CHCDRN CCc1cccc(NC(=O)Nc2nc3ccccc3n2C)c1 ZINC001202874668 1131558428 /nfs/dbraw/zinc/55/84/28/1131558428.db2.gz VDGBWCMKXVGQBH-UHFFFAOYSA-N 0 0 294.358 3.780 20 10 CHCDRN C/C(=C\C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000832431713 1131558796 /nfs/dbraw/zinc/55/87/96/1131558796.db2.gz SKTPIVYTZZKEEL-FNDVETGQSA-N 0 0 298.386 3.626 20 10 CHCDRN C/C=C/C=C/C(=O)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001144008739 1131567943 /nfs/dbraw/zinc/56/79/43/1131567943.db2.gz RLNFDZPWFBHJCA-PJZDHFOYSA-N 0 0 299.414 3.881 20 10 CHCDRN Cc1ccc2c(c1)[C@H](NC(=O)C1=CC(=O)CS1)CCC2 ZINC000832804400 1131586771 /nfs/dbraw/zinc/58/67/71/1131586771.db2.gz HXFDTOWQKWEOIW-CQSZACIVSA-N 0 0 287.384 3.570 20 10 CHCDRN CCn1cc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3C)cn1 ZINC000035780353 1131617510 /nfs/dbraw/zinc/61/75/10/1131617510.db2.gz HWPGHWBIOMIQHU-YPMHNXCESA-N 0 0 271.364 3.577 20 10 CHCDRN CCC[N@@H+](Cc1c(F)ccc(F)c1[O-])CC(C)C ZINC001139686775 1131628922 /nfs/dbraw/zinc/62/89/22/1131628922.db2.gz FNQKCNQVGSXHOU-UHFFFAOYSA-N 0 0 257.324 3.538 20 10 CHCDRN Oc1ccc(F)cc1CN1Cc2ccc(Cl)cc2C1 ZINC001140058782 1131660487 /nfs/dbraw/zinc/66/04/87/1131660487.db2.gz LHRWTZGSSFNJMC-UHFFFAOYSA-N 0 0 277.726 3.701 20 10 CHCDRN CC[N@H+](Cc1ccccc1O)Cc1c(C)ccc(C)c1O ZINC001140184521 1131674400 /nfs/dbraw/zinc/67/44/00/1131674400.db2.gz XZAMISUMLBHHCX-UHFFFAOYSA-N 0 0 285.387 3.737 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000846104607 1131690355 /nfs/dbraw/zinc/69/03/55/1131690355.db2.gz JOIGZNDPFISRSP-ZDUSSCGKSA-N 0 0 287.737 3.667 20 10 CHCDRN COc1ccc(N[C@@H](C)c2cccc(OC)c2O)cc1F ZINC000846159032 1131691903 /nfs/dbraw/zinc/69/19/03/1131691903.db2.gz LXOVVJIKUMPNML-JTQLQIEISA-N 0 0 291.322 3.722 20 10 CHCDRN COCc1ccnc(N[C@@H](C)c2ccc(Cl)cc2O)c1 ZINC000846215506 1131699869 /nfs/dbraw/zinc/69/98/69/1131699869.db2.gz LAAPBFRIMQCYNZ-JTQLQIEISA-N 0 0 292.766 3.760 20 10 CHCDRN COc1c(F)cc(F)cc1N[C@@H]1CCc2cccc(O)c21 ZINC000834751194 1131702058 /nfs/dbraw/zinc/70/20/58/1131702058.db2.gz LUZMNZFNOWSROZ-GFCCVEGCSA-N 0 0 291.297 3.778 20 10 CHCDRN Oc1cccc(Cl)c1CN1CCCCC(F)(F)C1 ZINC001140337751 1131702554 /nfs/dbraw/zinc/70/25/54/1131702554.db2.gz CIMDOISBUUMEJU-UHFFFAOYSA-N 0 0 275.726 3.667 20 10 CHCDRN CC[C@@H](Nc1cc(COC)ccn1)c1ccc(N(C)C)cc1 ZINC000846211399 1131703177 /nfs/dbraw/zinc/70/31/77/1131703177.db2.gz FIGMXFREAJKQGW-QGZVFWFLSA-N 0 0 299.418 3.857 20 10 CHCDRN CCc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000846210380 1131703270 /nfs/dbraw/zinc/70/32/70/1131703270.db2.gz ZLFKLWXYRDEIQE-GFCCVEGCSA-N 0 0 273.351 3.945 20 10 CHCDRN CO[C@H]1Cc2ccc(N[C@@H]3CCc4cccc(O)c43)cc2C1 ZINC000834766741 1131703550 /nfs/dbraw/zinc/70/35/50/1131703550.db2.gz XNHSSPLWYMWWSV-DLBZAZTESA-N 0 0 295.382 3.605 20 10 CHCDRN Oc1cccc2c1[C@@H](NCC(F)(F)c1ccccc1)CC2 ZINC000834779639 1131704160 /nfs/dbraw/zinc/70/41/60/1131704160.db2.gz PMICVHQFBNJYEO-AWEZNQCLSA-N 0 0 289.325 3.761 20 10 CHCDRN CC[C@H](N[C@@H]1C[C@H](C)c2c1c(O)ccc2F)C(F)F ZINC000834827735 1131707636 /nfs/dbraw/zinc/70/76/36/1131707636.db2.gz LEPHXYCCZZYRNQ-UJNFCWOMSA-N 0 0 273.298 3.713 20 10 CHCDRN C[C@H]([NH2+]CC1=CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000834837527 1131709981 /nfs/dbraw/zinc/70/99/81/1131709981.db2.gz XERORCKMJUIVCS-JTQLQIEISA-N 0 0 267.319 3.821 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])[C@H](C)O ZINC000834886504 1131718450 /nfs/dbraw/zinc/71/84/50/1131718450.db2.gz CSEVMRRIAKPKBL-FYBVGQRMSA-N 0 0 292.206 3.509 20 10 CHCDRN C[C@@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1ccc(F)cc1[O-] ZINC000834885504 1131718587 /nfs/dbraw/zinc/71/85/87/1131718587.db2.gz XACAHBHJAYMUQN-PELKAZGASA-N 0 0 292.181 3.766 20 10 CHCDRN C[C@H](Nc1cccc2c1OCC2)c1ccc(N(C)C)cc1 ZINC000846751571 1131729770 /nfs/dbraw/zinc/72/97/70/1131729770.db2.gz WPOVWSYYZRLKIQ-ZDUSSCGKSA-N 0 0 282.387 3.861 20 10 CHCDRN CCO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000834910532 1131729953 /nfs/dbraw/zinc/72/99/53/1131729953.db2.gz DZNRNKULAFXDPO-DJSGYFEHSA-N 0 0 281.371 3.530 20 10 CHCDRN C[C@H]([NH2+]CCC1CC(F)(F)C1)c1cc(F)cc(F)c1[O-] ZINC000834909293 1131730633 /nfs/dbraw/zinc/73/06/33/1131730633.db2.gz QMTPIYGEGWSMIG-QMMMGPOBSA-N 0 0 291.288 3.756 20 10 CHCDRN CC[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1cc(Cl)ccc1O ZINC000834915691 1131733368 /nfs/dbraw/zinc/73/33/68/1131733368.db2.gz RXJOFPDZAWVASF-SUHUHFCYSA-N 0 0 283.799 3.654 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cc(Cl)ccc1O ZINC000834915686 1131733383 /nfs/dbraw/zinc/73/33/83/1131733383.db2.gz RXJOFPDZAWVASF-OSMZGAPFSA-N 0 0 283.799 3.654 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1cc(Cl)ccc1O ZINC000834915681 1131733697 /nfs/dbraw/zinc/73/36/97/1131733697.db2.gz RXJOFPDZAWVASF-JKOKRWQUSA-N 0 0 283.799 3.654 20 10 CHCDRN CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140464541 1131750788 /nfs/dbraw/zinc/75/07/88/1131750788.db2.gz UGJQDKGTZFFTBX-ZDUSSCGKSA-N 0 0 253.773 3.810 20 10 CHCDRN Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001140467222 1131752794 /nfs/dbraw/zinc/75/27/94/1131752794.db2.gz QFWHVNPABZJTPG-JTQLQIEISA-N 0 0 275.726 3.523 20 10 CHCDRN CN(C)c1ccc(/C=C\CN[C@@H]2CCCC2(F)F)cc1 ZINC000835054361 1131767305 /nfs/dbraw/zinc/76/73/05/1131767305.db2.gz URNDFIKLFVXEHJ-FOSCPCJNSA-N 0 0 280.362 3.543 20 10 CHCDRN C/C(=C\c1ccco1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000846980812 1131770388 /nfs/dbraw/zinc/77/03/88/1131770388.db2.gz YJKOSERSTHAMJP-FNDVETGQSA-N 0 0 298.386 3.626 20 10 CHCDRN CC(C)Oc1ccc(COc2ccc(N(C)C)cc2)cn1 ZINC001227939246 1131772197 /nfs/dbraw/zinc/77/21/97/1131772197.db2.gz PUSFVHZGKSMLHC-UHFFFAOYSA-N 0 0 286.375 3.514 20 10 CHCDRN COc1ccc2c(c1)CC[C@@H](Oc1ccc(N(C)C)cc1)C2 ZINC001227942254 1131772301 /nfs/dbraw/zinc/77/23/01/1131772301.db2.gz MRUBFPFQSCKHHL-LJQANCHMSA-N 0 0 297.398 3.698 20 10 CHCDRN CN(C)c1ccc(O[C@H]2CCc3cc(F)ccc32)cc1 ZINC001227939167 1131772338 /nfs/dbraw/zinc/77/23/38/1131772338.db2.gz NSOVRQRDSSSAPA-KRWDZBQOSA-N 0 0 271.335 3.958 20 10 CHCDRN C[C@H](Oc1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC001227938921 1131772509 /nfs/dbraw/zinc/77/25/09/1131772509.db2.gz HIBPLWXUIWOMMG-LBPRGKRZSA-N 0 0 286.331 3.801 20 10 CHCDRN CN(C)c1ccc(O[C@@H]2CCc3ccccc3C2)cc1 ZINC001227938888 1131772752 /nfs/dbraw/zinc/77/27/52/1131772752.db2.gz GWVPBSPGJUWOJG-GOSISDBHSA-N 0 0 267.372 3.689 20 10 CHCDRN Cc1cc(C)c(CNc2cc(C3CCC3)ncn2)c(O)c1 ZINC001160811769 1131776779 /nfs/dbraw/zinc/77/67/79/1131776779.db2.gz WZXCJUIDUKJVGR-UHFFFAOYSA-N 0 0 283.375 3.679 20 10 CHCDRN 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COCOc1cccc(Cl)c1N(C)c1ccc(N)cc1 ZINC001214313873 1134527857 /nfs/dbraw/zinc/52/78/57/1134527857.db2.gz ONLTYWBDAIDRJE-UHFFFAOYSA-N 0 0 292.766 3.673 20 10 CHCDRN CSc1ccc(F)cc1N(C)c1ccc(N)cc1 ZINC001215455598 1134629952 /nfs/dbraw/zinc/62/99/52/1134629952.db2.gz WSGUOPDUPQFXGY-UHFFFAOYSA-N 0 0 262.353 3.898 20 10 CHCDRN CC(C)Oc1cc(Nc2cccc(O)c2O)ccc1F ZINC001215499578 1134634174 /nfs/dbraw/zinc/63/41/74/1134634174.db2.gz HPPKHJSSSHMIIQ-UHFFFAOYSA-N 0 0 277.295 3.768 20 10 CHCDRN COCc1ccc(Cl)c(Nc2ccc(N)cc2)c1 ZINC001215598910 1134650363 /nfs/dbraw/zinc/65/03/63/1134650363.db2.gz YZJWSONLBGPLAU-UHFFFAOYSA-N 0 0 262.740 3.812 20 10 CHCDRN CSc1cccc(N(C)c2ccc(N)cc2)c1F ZINC001215870002 1134707809 /nfs/dbraw/zinc/70/78/09/1134707809.db2.gz JNXDSDYQHSAONM-UHFFFAOYSA-N 0 0 262.353 3.898 20 10 CHCDRN Oc1cccc(Cl)c1Nc1c(Cl)cncc1Cl ZINC001215983240 1134740284 /nfs/dbraw/zinc/74/02/84/1134740284.db2.gz YHZXVWVZLJEFEU-UHFFFAOYSA-N 0 0 289.549 3.913 20 10 CHCDRN CC(C)c1ccc(N)c(N(C)c2ccc(N)cc2)c1 ZINC001216024147 1134753063 /nfs/dbraw/zinc/75/30/63/1134753063.db2.gz YHMZNCOOONFLQW-UHFFFAOYSA-N 0 0 255.365 3.742 20 10 CHCDRN CN(c1ccc(N)cc1)c1ccc(Cl)c2c[nH]nc21 ZINC001216059293 1134763835 /nfs/dbraw/zinc/76/38/35/1134763835.db2.gz JMWBKPHQOMWJLL-UHFFFAOYSA-N 0 0 272.739 3.566 20 10 CHCDRN Nc1ccc(O[C@@H]2CC[C@H](OCc3ccccc3)C2)cc1 ZINC001218482457 1135112664 /nfs/dbraw/zinc/11/26/64/1135112664.db2.gz VKCHWHRJDJWZHV-ZWKOTPCHSA-N 0 0 283.371 3.786 20 10 CHCDRN CCn1c2ccc(C#N)cc2nc1-c1ccc(N(C)C)cc1 ZINC000315840002 1135161055 /nfs/dbraw/zinc/16/10/55/1135161055.db2.gz HMDRKEJXTUUBKO-UHFFFAOYSA-N 0 0 290.370 3.661 20 10 CHCDRN C[C@@H](NC(=O)NC[C@@H]1CCC[C@@H](C)C1)c1ccccc1O ZINC001221467938 1135174892 /nfs/dbraw/zinc/17/48/92/1135174892.db2.gz ZWZFTSVZZJCEAD-MGPQQGTHSA-N 0 0 290.407 3.579 20 10 CHCDRN COc1cc(NCc2ccccc2O)ccc1Cl ZINC000083461604 178485509 /nfs/dbraw/zinc/48/55/09/178485509.db2.gz CARVSIKZTUXGQL-UHFFFAOYSA-N 0 0 263.724 3.666 20 10 CHCDRN CCc1cccc(CC)c1NC(=O)Cc1ccc(N)cc1 ZINC000019402052 170785282 /nfs/dbraw/zinc/78/52/82/170785282.db2.gz HIXATJLVWLUWJS-UHFFFAOYSA-N 0 0 282.387 3.575 20 10 CHCDRN COc1ccc(O)c([C@H](C)Nc2ccc(F)cc2)c1 ZINC000019942296 170934476 /nfs/dbraw/zinc/93/44/76/170934476.db2.gz MWGBKYQIPWAGSY-JTQLQIEISA-N 0 0 261.296 3.713 20 10 CHCDRN Cc1ccc([C@@H](C)Nc2ccc(N(C)C)cc2)c(O)c1 ZINC000036335100 172618406 /nfs/dbraw/zinc/61/84/06/172618406.db2.gz MSFRVDVXQSKTQN-CYBMUJFWSA-N 0 0 270.376 3.940 20 10 CHCDRN CCOc1cccc(N[C@H](C)c2ccccc2O)c1 ZINC000037780167 173710633 /nfs/dbraw/zinc/71/06/33/173710633.db2.gz VFOBMTDFYNBTSN-GFCCVEGCSA-N 0 0 257.333 3.964 20 10 CHCDRN CN(C)c1ccc(CNc2ccc3ccccc3n2)cc1 ZINC000038426873 174141446 /nfs/dbraw/zinc/14/14/46/174141446.db2.gz HNZQIUMRKSHEMF-UHFFFAOYSA-N 0 0 277.371 3.913 20 10 CHCDRN CSCCCCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000187673040 260051683 /nfs/dbraw/zinc/05/16/83/260051683.db2.gz NQWWPGPIVZJKGU-UHFFFAOYSA-N 0 0 273.829 3.669 20 10 CHCDRN CC[C@H](CC1CCCC1)C(=O)Nc1ccc(N)cc1 ZINC000160340752 261211550 /nfs/dbraw/zinc/21/15/50/261211550.db2.gz BBJWHQAUROXZLP-CYBMUJFWSA-N 0 0 260.381 3.814 20 10 CHCDRN Nc1ccc(NC(=O)C2(Cc3ccccc3)CCC2)cc1 ZINC000160444638 261214603 /nfs/dbraw/zinc/21/46/03/261214603.db2.gz CLMNMWGFZQHLFV-UHFFFAOYSA-N 0 0 280.371 3.620 20 10 CHCDRN COc1cc(C)ccc1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000185714587 262067715 /nfs/dbraw/zinc/06/77/15/262067715.db2.gz NXXFSRPMFLADTR-CQSZACIVSA-N 0 0 285.387 3.868 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1[O-] ZINC000186129171 262080685 /nfs/dbraw/zinc/08/06/85/262080685.db2.gz UUHSBRYFKFDLMN-JSGCOSHPSA-N 0 0 293.382 3.674 20 10 CHCDRN COc1ccc(O)c([C@@H](C)Nc2cc(F)ccc2OC)c1 ZINC000186355848 262090128 /nfs/dbraw/zinc/09/01/28/262090128.db2.gz IKWFIFZHJZBPFH-SNVBAGLBSA-N 0 0 291.322 3.722 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(F)cc1[O-] ZINC000285496613 263093582 /nfs/dbraw/zinc/09/35/82/263093582.db2.gz APSYXSOZKBCRIE-UKPHBRMFSA-N 0 0 293.382 3.530 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)c1cccc(Cl)c1[O-] ZINC000290051072 263114453 /nfs/dbraw/zinc/11/44/53/263114453.db2.gz FBLVRJXZFDASCV-GIPNMCIBSA-N 0 0 271.788 3.510 20 10 CHCDRN CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000290049120 328257725 /nfs/dbraw/zinc/25/77/25/328257725.db2.gz DYGQLHZOOLZBRY-VGMNWLOBSA-N 0 0 292.206 3.773 20 10 CHCDRN Oc1cccc2c1[C@@H]([NH2+]CC[C@@H]1CC=CCC1)CC2 ZINC000527978091 330302215 /nfs/dbraw/zinc/30/22/15/330302215.db2.gz JEMBZTNHWWVMFH-HIFRSBDPSA-N 0 0 257.377 3.716 20 10 CHCDRN CN(C(=O)/C=C/c1cncs1)c1ccc(F)c(Cl)c1 ZINC000493819129 331311968 /nfs/dbraw/zinc/31/19/68/331311968.db2.gz UCIBHWYNHLDRPW-HWKANZROSA-N 0 0 296.754 3.612 20 10 CHCDRN Cc1ccsc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000471217695 331503808 /nfs/dbraw/zinc/50/38/08/331503808.db2.gz AYTNRCAFMUEKHQ-UHFFFAOYSA-N 0 0 298.411 3.787 20 10 CHCDRN Cc1ncc(/C=C\C(=O)N(C)c2ccc3cc[nH]c3c2)s1 ZINC000491982291 332378152 /nfs/dbraw/zinc/37/81/52/332378152.db2.gz JIDRPENGEXACGW-WAYWQWQTSA-N 0 0 297.383 3.609 20 10 CHCDRN COc1ccc(N[C@H]2CCc3cccc(O)c32)cc1F ZINC000296674032 534192006 /nfs/dbraw/zinc/19/20/06/534192006.db2.gz GCFSOCXPVZSDQW-ZDUSSCGKSA-N 0 0 273.307 3.639 20 10 CHCDRN CC[N@H+](Cc1cccc(Cl)c1[O-])[C@@H]1CCOC(C)(C)C1 ZINC000291590872 521344389 /nfs/dbraw/zinc/34/43/89/521344389.db2.gz PTXLQLDEZRUMFD-CYBMUJFWSA-N 0 0 297.826 3.825 20 10 CHCDRN CCOc1cccc(CNc2cc(C)ccc2OC)c1O ZINC000019914385 521378002 /nfs/dbraw/zinc/37/80/02/521378002.db2.gz IEOANTKQDBBVOR-UHFFFAOYSA-N 0 0 287.359 3.720 20 10 CHCDRN CCOc1cccc(N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000037780221 521401206 /nfs/dbraw/zinc/40/12/06/521401206.db2.gz AWKWIHKLUUOTDO-LBPRGKRZSA-N 0 0 287.359 3.973 20 10 CHCDRN Cc1cnc(NCc2ccc(N3CCC(C)CC3)cc2)nc1 ZINC000301818758 534586892 /nfs/dbraw/zinc/58/68/92/534586892.db2.gz IPVFPHROYGOSHI-UHFFFAOYSA-N 0 0 296.418 3.633 20 10 CHCDRN CC[C@H](CO)[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000286939900 522228424 /nfs/dbraw/zinc/22/84/24/522228424.db2.gz LZBJYVFASRZERB-BXKDBHETSA-N 0 0 292.206 3.511 20 10 CHCDRN CC[C@@H]1CCCC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000280075272 523208270 /nfs/dbraw/zinc/20/82/70/523208270.db2.gz XQVANMPWBYVVQM-UKRRQHHQSA-N 0 0 275.392 3.567 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCCC(C)(C)C1 ZINC000276747446 523381394 /nfs/dbraw/zinc/38/13/94/523381394.db2.gz LHJSLWPRHIOJMV-AWEZNQCLSA-N 0 0 290.407 3.502 20 10 CHCDRN CCc1ccc([C@H](C)CC(=O)NCc2ccc(N)cc2)cc1 ZINC000297238005 524043410 /nfs/dbraw/zinc/04/34/10/524043410.db2.gz POLIDBWBCSUSAL-CQSZACIVSA-N 0 0 296.414 3.641 20 10 CHCDRN COc1ccc(N(Cc2ncc(C)o2)[C@H](C)C2CC2)cc1 ZINC000072629755 524370766 /nfs/dbraw/zinc/37/07/66/524370766.db2.gz GVEZKAXPGHGGTF-CYBMUJFWSA-N 0 0 286.375 3.797 20 10 CHCDRN C[C@H]1CCc2c(C(=O)Nc3ccc(N)cc3)csc2C1 ZINC000237615126 524435114 /nfs/dbraw/zinc/43/51/14/524435114.db2.gz ITWPMHSWAPEVIK-JTQLQIEISA-N 0 0 286.400 3.707 20 10 CHCDRN C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000290215203 525070552 /nfs/dbraw/zinc/07/05/52/525070552.db2.gz QXYJBLPRYSKQIB-MEBBXXQBSA-N 0 0 289.762 3.657 20 10 CHCDRN C[C@H]([NH2+]CCC(C)(C)O)c1cc(Cl)c(Cl)cc1[O-] ZINC000278803890 525326950 /nfs/dbraw/zinc/32/69/50/525326950.db2.gz RJKJVDXMPQGJFE-QMMMGPOBSA-N 0 0 292.206 3.511 20 10 CHCDRN Cc1ccc(O)c([C@H](C)N[C@H](C2CC2)C(F)(F)F)c1 ZINC000287262294 525364344 /nfs/dbraw/zinc/36/43/44/525364344.db2.gz ILWMZQJLXICQSW-TVQRCGJNSA-N 0 0 273.298 3.692 20 10 CHCDRN C[C@H](Nc1ccc(N2CCCC2)nc1)c1ccccc1O ZINC000036982250 525656280 /nfs/dbraw/zinc/65/62/80/525656280.db2.gz ZLSZNBSLHYSOFW-ZDUSSCGKSA-N 0 0 283.375 3.561 20 10 CHCDRN C[C@H](Nc1ccc2c(c1)CCO2)c1cc(F)ccc1O ZINC000094617461 525662196 /nfs/dbraw/zinc/66/21/96/525662196.db2.gz NWEVVVZNHYOIJL-JTQLQIEISA-N 0 0 273.307 3.639 20 10 CHCDRN Cc1ccsc1C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276879074 525860629 /nfs/dbraw/zinc/86/06/29/525860629.db2.gz FWKJQXNQQULYJV-VIFPVBQESA-N 0 0 283.343 3.891 20 10 CHCDRN COc1cccc(CNc2ccccc2OC(C)C)c1O ZINC000037126190 526043160 /nfs/dbraw/zinc/04/31/60/526043160.db2.gz YFKLDFITROOEKU-UHFFFAOYSA-N 0 0 287.359 3.800 20 10 CHCDRN COc1cccc(CNc2cccc(OC(C)C)c2)c1O ZINC000076272072 526044015 /nfs/dbraw/zinc/04/40/15/526044015.db2.gz CJUCSYRCAIORLA-UHFFFAOYSA-N 0 0 287.359 3.800 20 10 CHCDRN Cc1nc(CN(Cc2ccc(N(C)C)cc2)C2CC2)oc1C ZINC000299322224 526849914 /nfs/dbraw/zinc/84/99/14/526849914.db2.gz PHAFXCFFAPRSJL-UHFFFAOYSA-N 0 0 299.418 3.522 20 10 CHCDRN O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1C1CCC1 ZINC000292398988 526946472 /nfs/dbraw/zinc/94/64/72/526946472.db2.gz WZBRBBSKBOMJPG-XYOKQWHBSA-N 0 0 293.388 3.579 20 10 CHCDRN Nc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 ZINC000237966987 527490812 /nfs/dbraw/zinc/49/08/12/527490812.db2.gz SAVWKRZBBDEHES-UHFFFAOYSA-N 0 0 298.361 3.858 20 10 CHCDRN Cc1nn(C)cc1-c1csc(-c2ccc(N(C)C)cc2)n1 ZINC000264784398 527688621 /nfs/dbraw/zinc/68/86/21/527688621.db2.gz VIPZZPSCEIWVCQ-UHFFFAOYSA-N 0 0 298.415 3.585 20 10 CHCDRN O=C(NCc1cc2ccccc2cc1O)NC1CCCCC1 ZINC001202622281 1125458357 /nfs/dbraw/zinc/45/83/57/1125458357.db2.gz AXEFJDDKHFFYOP-UHFFFAOYSA-N 0 0 298.386 3.677 20 10 CHCDRN Oc1ccc(Cl)cc1CNc1ccc(Cl)cn1 ZINC000083512137 1118160999 /nfs/dbraw/zinc/16/09/99/1118160999.db2.gz LOBQKUFCLSPFFJ-UHFFFAOYSA-N 0 0 269.131 3.706 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccccc1 ZINC001593198293 994170253 /nfs/dbraw/zinc/17/02/53/994170253.db2.gz PVAOXUFTWKHALJ-NEPJUHHUSA-N 0 0 285.343 3.502 20 10 CHCDRN C[C@@H]([NH2+]CCC(C)(C)C1CC1)c1cc(C(=O)[O-])ccc1O ZINC001593261221 994547971 /nfs/dbraw/zinc/54/79/71/994547971.db2.gz LBCFAHFRZSUBBA-LLVKDONJSA-N 0 0 291.391 3.567 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000850541009 1123287682 /nfs/dbraw/zinc/28/76/82/1123287682.db2.gz UEOJXHCBLRHXDU-TVQRCGJNSA-N 0 0 253.773 3.885 20 10 CHCDRN CC(C)(C)c1cnc(Sc2cnc(F)cn2)s1 ZINC000853446121 1123440790 /nfs/dbraw/zinc/44/07/90/1123440790.db2.gz BVYMTENFJIEWAD-UHFFFAOYSA-N 0 0 269.370 3.521 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCS[C@H]1C)c1cccc(Cl)c1[O-] ZINC000842928370 1132477740 /nfs/dbraw/zinc/47/77/40/1132477740.db2.gz IZFRMKDAKBRONE-XDTLVQLUSA-N 0 0 285.840 3.980 20 10 CHCDRN CSc1cccnc1NCc1cccc(Cl)c1O ZINC001206537972 1133715723 /nfs/dbraw/zinc/71/57/23/1133715723.db2.gz PZQZDXMMCPTAGF-UHFFFAOYSA-N 0 0 280.780 3.775 20 10 CHCDRN CN(c1ccc(N)cc1)c1c(F)c(O)ccc1Cl ZINC001214563589 1134551742 /nfs/dbraw/zinc/55/17/42/1134551742.db2.gz INDKZITWIIFPKM-UHFFFAOYSA-N 0 0 266.703 3.535 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)CC(C)(C)c1ccccc1 ZINC000067592025 1125526233 /nfs/dbraw/zinc/52/62/33/1125526233.db2.gz FBKAFIAUFWHAPZ-UHFFFAOYSA-N 0 0 297.398 3.719 20 10 CHCDRN CCOCC(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841755532 1125591829 /nfs/dbraw/zinc/59/18/29/1125591829.db2.gz INMDCRFCVQMYLB-NSHDSACASA-N 0 0 285.815 3.759 20 10 CHCDRN C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841758086 1125598406 /nfs/dbraw/zinc/59/84/06/1125598406.db2.gz KKOXPUUMSHHISB-VXGBXAGGSA-N 0 0 290.794 3.722 20 10 CHCDRN C[C@H]([NH2+]CCCC1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841759528 1125598888 /nfs/dbraw/zinc/59/88/88/1125598888.db2.gz ZHCJEKNEDXYMFA-LBPRGKRZSA-N 0 0 297.826 3.903 20 10 CHCDRN CCc1nc([C@@H](C)N[C@H](C)c2c(O)cccc2F)cs1 ZINC000886525916 1125684071 /nfs/dbraw/zinc/68/40/71/1125684071.db2.gz AYJAMBMXXAMBSE-NXEZZACHSA-N 0 0 294.395 3.962 20 10 CHCDRN CCc1nc([C@H](C)N[C@@H](C)c2c(O)cccc2F)cs1 ZINC000886525917 1125684205 /nfs/dbraw/zinc/68/42/05/1125684205.db2.gz AYJAMBMXXAMBSE-UWVGGRQHSA-N 0 0 294.395 3.962 20 10 CHCDRN CC(C)c1csc(CN[C@@H](C)c2c(O)cccc2F)n1 ZINC000886541668 1125686773 /nfs/dbraw/zinc/68/67/73/1125686773.db2.gz ZFDNGQWHMZARCS-JTQLQIEISA-N 0 0 294.395 3.962 20 10 CHCDRN Cc1ccncc1[C@@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886542609 1125687215 /nfs/dbraw/zinc/68/72/15/1125687215.db2.gz CPTQVEQXTIECLU-NEPJUHHUSA-N 0 0 274.339 3.647 20 10 CHCDRN C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)c1c([O-])cccc1F ZINC000886557257 1125690002 /nfs/dbraw/zinc/69/00/02/1125690002.db2.gz XAJDPAQIHMDLAY-GTNSWQLSSA-N 0 0 286.350 3.728 20 10 CHCDRN Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)CO2 ZINC000886551851 1125690547 /nfs/dbraw/zinc/69/05/47/1125690547.db2.gz PNKAGUCEVNUQQB-RISCZKNCSA-N 0 0 287.334 3.624 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1c(C)noc1C ZINC000886556981 1125690723 /nfs/dbraw/zinc/69/07/23/1125690723.db2.gz OFZQENJGUIMNME-TVQRCGJNSA-N 0 0 292.354 3.938 20 10 CHCDRN COCc1cccc(N[C@@H](C)c2c(O)cccc2F)c1 ZINC000886566189 1125691903 /nfs/dbraw/zinc/69/19/03/1125691903.db2.gz LFUFRNHUEZYRDC-NSHDSACASA-N 0 0 275.323 3.851 20 10 CHCDRN Cc1cnc([C@@H](C)C[NH2+][C@H](C)c2c([O-])cccc2F)s1 ZINC000886589836 1125694323 /nfs/dbraw/zinc/69/43/23/1125694323.db2.gz HGYNBFCVIIPRSR-GXSJLCMTSA-N 0 0 294.395 3.751 20 10 CHCDRN C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1c([O-])cccc1F ZINC000886607548 1125696822 /nfs/dbraw/zinc/69/68/22/1125696822.db2.gz UIYBLGOWIBWZBY-CRWXNKLISA-N 0 0 295.398 3.776 20 10 CHCDRN CC(C)[C@@H]1C[C@H](C[NH2+][C@@H](C)c2c([O-])cccc2F)CCO1 ZINC000886618948 1125699886 /nfs/dbraw/zinc/69/98/86/1125699886.db2.gz PDOVTXGDVSGKJN-ZENOOKHLSA-N 0 0 295.398 3.633 20 10 CHCDRN CSCC1(CC[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886636200 1125701354 /nfs/dbraw/zinc/70/13/54/1125701354.db2.gz HQIUSLSIFYOSHD-LLVKDONJSA-N 0 0 283.412 3.715 20 10 CHCDRN C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)c1c([O-])cccc1F ZINC000886649618 1125701957 /nfs/dbraw/zinc/70/19/57/1125701957.db2.gz DUFBBDOFGABNBJ-SECBINFHSA-N 0 0 273.298 3.617 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1c([O-])cccc1F ZINC000886732585 1125714846 /nfs/dbraw/zinc/71/48/46/1125714846.db2.gz KQMMFUDFFKNFGQ-OLZOCXBDSA-N 0 0 293.382 3.531 20 10 CHCDRN CCCC[C@@H](CC)C(=O)NCc1ccc(N(C)C)cc1 ZINC000886779108 1125716558 /nfs/dbraw/zinc/71/65/58/1125716558.db2.gz DLGYQNMPGXUSDC-OAHLLOKOSA-N 0 0 276.424 3.585 20 10 CHCDRN CO[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1O)C1CC1 ZINC000293669345 1129179597 /nfs/dbraw/zinc/17/95/97/1129179597.db2.gz JHJVEAVNCJPFHE-SJKOYZFVSA-N 0 0 285.387 3.621 20 10 CHCDRN CCOc1ccc(N(CC)Cc2csc(C)n2)cc1 ZINC000736619816 1129377408 /nfs/dbraw/zinc/37/74/08/1129377408.db2.gz HPYQTPNVHDAIBC-UHFFFAOYSA-N 0 0 276.405 3.877 20 10 CHCDRN C[C@H](Sc1nccs1)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000249750862 1129458412 /nfs/dbraw/zinc/45/84/12/1129458412.db2.gz CQMQPQGOTHFAJY-NOOOWODRSA-N 0 0 298.477 3.565 20 10 CHCDRN COc1ccc(N(CCCSC)CC(C)C)cc1 ZINC000744394162 1129575288 /nfs/dbraw/zinc/57/52/88/1129575288.db2.gz AKWICZBIDMEILY-UHFFFAOYSA-N 0 0 267.438 3.911 20 10 CHCDRN Cc1c(NC(=O)C2=CC(=O)CS2)sc2c1CCCC2 ZINC000748326549 1130228706 /nfs/dbraw/zinc/22/87/06/1130228706.db2.gz DWIGIQZIHSJAKN-UHFFFAOYSA-N 0 0 293.413 3.955 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)c1cscc1C ZINC000175255217 1126779392 /nfs/dbraw/zinc/77/93/92/1126779392.db2.gz ZYHBWYOVUGIWKO-UHFFFAOYSA-N 0 0 289.400 3.815 20 10 CHCDRN C[C@H](c1ccco1)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000179682791 1126831628 /nfs/dbraw/zinc/83/16/28/1126831628.db2.gz SQAPYFVGHKTKOY-SNVBAGLBSA-N 0 0 265.740 3.832 20 10 CHCDRN Cc1cc(O)c(CNc2nnc(CC(C)(C)C)o2)cc1C ZINC000181780490 1126860620 /nfs/dbraw/zinc/86/06/20/1126860620.db2.gz WWPKGNJQUIQIDL-UHFFFAOYSA-N 0 0 289.379 3.593 20 10 CHCDRN CC[C@@H]([NH2+]C[C@](C)(OC)C1CC1)c1cccc(Cl)c1[O-] ZINC000812735092 1130709854 /nfs/dbraw/zinc/70/98/54/1130709854.db2.gz WOQUXXISFCEMTF-ZBFHGGJFSA-N 0 0 297.826 3.901 20 10 CHCDRN C[C@@H]([NH2+]CCCOC1CCCC1)c1ccc(F)c(F)c1[O-] ZINC000187681910 1126912844 /nfs/dbraw/zinc/91/28/44/1126912844.db2.gz DMGAZBZQXYLORQ-LLVKDONJSA-N 0 0 299.361 3.670 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[N@@H+](C)[C@H](C)C2CC2)c1 ZINC000781897128 1130746404 /nfs/dbraw/zinc/74/64/04/1130746404.db2.gz OPTWUTAMSFHTIY-SNVBAGLBSA-N 0 0 298.224 3.693 20 10 CHCDRN CC[C@H](Nc1ccc(OC2COC2)cc1)c1ccccc1O ZINC000188639096 1126924268 /nfs/dbraw/zinc/92/42/68/1126924268.db2.gz ILMZKRKWAUVIIG-KRWDZBQOSA-N 0 0 299.370 3.733 20 10 CHCDRN O=C(C[C@@H]1C=CCCC1)NCc1ccc(N2CCCC2)cc1 ZINC000188989657 1126926830 /nfs/dbraw/zinc/92/68/30/1126926830.db2.gz RGDPFZRSKHOVJK-MRXNPFEDSA-N 0 0 298.430 3.649 20 10 CHCDRN Cc1nc([C@H]2CCCN2Cc2cc(F)ccc2O)cs1 ZINC000189940455 1126936919 /nfs/dbraw/zinc/93/69/19/1126936919.db2.gz NHXBMLBYCZQLFN-CQSZACIVSA-N 0 0 292.379 3.633 20 10 CHCDRN CCOc1ccc(O)c(CNc2ccc(F)c(OC)c2)c1 ZINC000189572993 1126932855 /nfs/dbraw/zinc/93/28/55/1126932855.db2.gz GECYBUJJKHMLRN-UHFFFAOYSA-N 0 0 291.322 3.551 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CCCO1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192595955 1126962289 /nfs/dbraw/zinc/96/22/89/1126962289.db2.gz IBOZEQYSQTYRML-RKDXNWHRSA-N 0 0 290.190 3.529 20 10 CHCDRN CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(N)cc1 ZINC000269147329 1127035682 /nfs/dbraw/zinc/03/56/82/1127035682.db2.gz ZROVPZYEDILYPZ-MAZHCROVSA-N 0 0 290.407 3.581 20 10 CHCDRN CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(N)cc1 ZINC000269147331 1127035899 /nfs/dbraw/zinc/03/58/99/1127035899.db2.gz ZROVPZYEDILYPZ-WQVCFCJDSA-N 0 0 290.407 3.581 20 10 CHCDRN CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000270665623 1127059823 /nfs/dbraw/zinc/05/98/23/1127059823.db2.gz PHFCZVMSNGVLAD-NHYWBVRUSA-N 0 0 297.826 3.729 20 10 CHCDRN CC[C@H](C)c1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910951035 1127075078 /nfs/dbraw/zinc/07/50/78/1127075078.db2.gz NUNRNYYUZODESF-LBPRGKRZSA-N 0 0 299.370 3.541 20 10 CHCDRN C[N@@H+](Cc1cc(Cl)c(Cl)cc1[O-])CC1CCC1 ZINC001236795041 1131008770 /nfs/dbraw/zinc/00/87/70/1131008770.db2.gz ACJWLDZCEJMJLQ-UHFFFAOYSA-N 0 0 274.191 3.931 20 10 CHCDRN CC[C@@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(N(C)C)cc1 ZINC000271429307 1127080749 /nfs/dbraw/zinc/08/07/49/1127080749.db2.gz AWFGVTZZPMBLSK-IAGOWNOFSA-N 0 0 298.434 3.594 20 10 CHCDRN CCOc1ccc(C[N@H+]2[C@H](C)CCC[C@@H]2C)c(O)c1 ZINC001237046217 1131039901 /nfs/dbraw/zinc/03/99/01/1131039901.db2.gz ZSMBPUUPUGTCNI-BETUJISGSA-N 0 0 263.381 3.554 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)/C=C\C1CCCC1 ZINC000843820330 1127114602 /nfs/dbraw/zinc/11/46/02/1127114602.db2.gz RRGIBHTXLWZIRU-QXMHVHEDSA-N 0 0 287.403 3.877 20 10 CHCDRN Oc1ccc(F)c(Cl)c1C[N@@H+]1CCC2(CCCC2)C1 ZINC001237125528 1131055296 /nfs/dbraw/zinc/05/52/96/1131055296.db2.gz DLLZPFNLXMZGPX-UHFFFAOYSA-N 0 0 283.774 3.951 20 10 CHCDRN C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001237620700 1131118997 /nfs/dbraw/zinc/11/89/97/1131118997.db2.gz XEMDDSWRNDHJRQ-NXEZZACHSA-N 0 0 271.763 3.948 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(F)cc1[O-] ZINC000286153101 1127261248 /nfs/dbraw/zinc/26/12/48/1127261248.db2.gz PMZHGUGCGDVRTH-JYYAWHABSA-N 0 0 293.382 3.530 20 10 CHCDRN Cc1ccc([C@@H](C)N[C@H](C)C(F)(F)F)c(O)c1C ZINC000287363136 1127302407 /nfs/dbraw/zinc/30/24/07/1127302407.db2.gz OEUQULSACYJQIY-NXEZZACHSA-N 0 0 261.287 3.610 20 10 CHCDRN CC[C@@H]([NH2+]CCOC(C)C)c1cccc(Cl)c1[O-] ZINC000287620978 1127311371 /nfs/dbraw/zinc/31/13/71/1127311371.db2.gz JVBXZMBWHQGOKM-CYBMUJFWSA-N 0 0 271.788 3.511 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cccc(O)c1)c1cccc(Cl)c1[O-] ZINC000287669140 1127311656 /nfs/dbraw/zinc/31/16/56/1127311656.db2.gz MAZHCXBAJVMOJA-OAHLLOKOSA-N 0 0 291.778 3.992 20 10 CHCDRN CC[C@@H]([NH2+]C1CCSCC1)c1cccc(Cl)c1[O-] ZINC000287802675 1127313663 /nfs/dbraw/zinc/31/36/63/1127313663.db2.gz UFHVUEIYDJPYIJ-CYBMUJFWSA-N 0 0 285.840 3.982 20 10 CHCDRN COc1ccc(O)c(CNc2ccc3ncsc3c2)c1 ZINC000225930475 1127359788 /nfs/dbraw/zinc/35/97/88/1127359788.db2.gz MWKKZMGQJIXUBV-UHFFFAOYSA-N 0 0 286.356 3.623 20 10 CHCDRN O=[N+]([O-])c1ccc(Sc2nccs2)c2ncccc12 ZINC000005933737 1127498608 /nfs/dbraw/zinc/49/86/08/1127498608.db2.gz UDHDKOOXVDNPFQ-UHFFFAOYSA-N 0 0 289.341 3.751 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(C)s2)cc1OC ZINC000761220656 1127544015 /nfs/dbraw/zinc/54/40/15/1127544015.db2.gz IKYWEMJKBQRBRA-UHFFFAOYSA-N 0 0 277.389 3.710 20 10 CHCDRN CC(C)(C)[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC001308983149 1127632301 /nfs/dbraw/zinc/63/23/01/1127632301.db2.gz ADBMOWGECIUKBO-CQSZACIVSA-N 0 0 297.826 3.683 20 10 CHCDRN CC[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1cccc(Cl)c1[O-] ZINC000296648829 1127679931 /nfs/dbraw/zinc/67/99/31/1127679931.db2.gz YRSDEODZLKZQKA-CHWSQXEVSA-N 0 0 283.799 3.654 20 10 CHCDRN COc1ccc(N(C)CC2CCC(=O)CC2)cc1Cl ZINC000296893993 1127685178 /nfs/dbraw/zinc/68/51/78/1127685178.db2.gz YFJOPKLXBRJQML-UHFFFAOYSA-N 0 0 281.783 3.544 20 10 CHCDRN COc1ccc(NCc2ccc(N(C)C)cc2)c(C)c1 ZINC000061565334 1127703479 /nfs/dbraw/zinc/70/34/79/1127703479.db2.gz RIXLQWPVMDFKBS-UHFFFAOYSA-N 0 0 270.376 3.682 20 10 CHCDRN CC(C)c1nccc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000171838307 1127730944 /nfs/dbraw/zinc/73/09/44/1127730944.db2.gz SRGZGSRGUHQGGV-UHFFFAOYSA-N 0 0 296.418 3.812 20 10 CHCDRN C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000062745070 1127772207 /nfs/dbraw/zinc/77/22/07/1127772207.db2.gz LMEBTNSMXXWCGZ-STQMWFEESA-N 0 0 273.351 3.986 20 10 CHCDRN CCN1C(=O)c2ccccc2N[C@@H]1c1cc(C)c(C)cc1O ZINC000172854795 1127787524 /nfs/dbraw/zinc/78/75/24/1127787524.db2.gz XFVJXZWDCJIIBQ-KRWDZBQOSA-N 0 0 296.370 3.595 20 10 CHCDRN CCn1nc(C)c(NCc2cc(Cl)cc(C)c2O)c1C ZINC000777501129 1128094660 /nfs/dbraw/zinc/09/46/60/1128094660.db2.gz JRLOKRZRABSXJV-UHFFFAOYSA-N 0 0 293.798 3.799 20 10 CHCDRN CC(C)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000324207777 1128160234 /nfs/dbraw/zinc/16/02/34/1128160234.db2.gz CJUROFCSBPOJQB-BONVTDFDSA-N 0 0 251.345 3.617 20 10 CHCDRN CC(C)[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)C1CC1 ZINC000324229944 1128161004 /nfs/dbraw/zinc/16/10/04/1128161004.db2.gz GXWMJOBWRWZBDS-BMIGLBTASA-N 0 0 251.345 3.617 20 10 CHCDRN c1ccn(-c2ccc(-c3nc(C4CCC4)no3)cc2)c1 ZINC000761642512 1128182367 /nfs/dbraw/zinc/18/23/67/1128182367.db2.gz MJMNHCNSXDBQSS-UHFFFAOYSA-N 0 0 265.316 3.795 20 10 CHCDRN c1csc(Sc2n[nH]c(CCC3CCCC3)n2)n1 ZINC000914862343 1128255465 /nfs/dbraw/zinc/25/54/65/1128255465.db2.gz CBVYKTIFLADOPA-UHFFFAOYSA-N 0 0 280.422 3.535 20 10 CHCDRN Cc1cc(C)c(NC(=O)N2Cc3cccc(O)c3C2)c(C)c1 ZINC000929122645 1128258573 /nfs/dbraw/zinc/25/85/73/1128258573.db2.gz RXLVXNDWOOEDPA-UHFFFAOYSA-N 0 0 296.370 3.865 20 10 CHCDRN CCc1cccc(C)c1NC(=O)N1Cc2cccc(O)c2C1 ZINC000929129214 1128259679 /nfs/dbraw/zinc/25/96/79/1128259679.db2.gz JDBXXNGQKHKWQC-UHFFFAOYSA-N 0 0 296.370 3.811 20 10 CHCDRN C[C@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1ccc(Cl)cc1[O-] ZINC000926915072 1128202487 /nfs/dbraw/zinc/20/24/87/1128202487.db2.gz DOGFAADLRZGRHL-IUIKQTSFSA-N 0 0 295.810 3.655 20 10 CHCDRN Cc1ccc(/C=C/C(=O)N2CCc3ccc(Cl)cc32)cn1 ZINC000777866632 1128298192 /nfs/dbraw/zinc/29/81/92/1128298192.db2.gz ODDBSZSXOXDKGI-QPJJXVBHSA-N 0 0 298.773 3.646 20 10 CHCDRN CCC(CC)(CC)SCC(=O)c1ccc(O)c(O)c1 ZINC000762971786 1128338172 /nfs/dbraw/zinc/33/81/72/1128338172.db2.gz UDKSBNDHLDGAPV-UHFFFAOYSA-N 0 0 282.405 3.983 20 10 CHCDRN C[C@H]1CCc2ccccc2[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000763223173 1128382959 /nfs/dbraw/zinc/38/29/59/1128382959.db2.gz JUHLNEIJNOPUOP-ZUZCIYMTSA-N 0 0 287.384 3.507 20 10 CHCDRN Oc1c(CNc2cccnc2)cc(Cl)c2cccnc12 ZINC001168521789 1128458021 /nfs/dbraw/zinc/45/80/21/1128458021.db2.gz KQBIRWFBKHAPTA-UHFFFAOYSA-N 0 0 285.734 3.601 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)C=C2CCCC2)cc1 ZINC000917695264 1128516218 /nfs/dbraw/zinc/51/62/18/1128516218.db2.gz ZJXNJVVKGUMQJY-UHFFFAOYSA-N 0 0 286.419 3.649 20 10 CHCDRN CC(C)=CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000042000125 1128561599 /nfs/dbraw/zinc/56/15/99/1128561599.db2.gz QIRSERANLOBNOL-UHFFFAOYSA-N 0 0 286.419 3.602 20 10 CHCDRN CCC[C@H](C)NC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000918155612 1128538074 /nfs/dbraw/zinc/53/80/74/1128538074.db2.gz WTVQJRHVNMEAJU-AWEZNQCLSA-N 0 0 291.439 3.521 20 10 CHCDRN Cc1cc(C)c(NC(=O)N(C)Cc2ccccc2O)c(C)c1 ZINC000047323634 1128669599 /nfs/dbraw/zinc/66/95/99/1128669599.db2.gz FRNCJDCVZYVEKC-UHFFFAOYSA-N 0 0 298.386 3.981 20 10 CHCDRN C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(F)ccc1O ZINC000779018424 1128681981 /nfs/dbraw/zinc/68/19/81/1128681981.db2.gz LORPYQJJBZEUJC-XUJVJEKNSA-N 0 0 263.356 3.684 20 10 CHCDRN C[C@@H]1CCCC[C@@H]1CC(=O)N(C)Cc1ccccc1O ZINC000920455183 1128682443 /nfs/dbraw/zinc/68/24/43/1128682443.db2.gz OXILIFPUDIRKTM-ZIAGYGMSSA-N 0 0 275.392 3.567 20 10 CHCDRN C[C@@H]([NH2+][C@H](C1CC1)C1CCC1)c1ccc(F)cc1[O-] ZINC000324775591 1128708584 /nfs/dbraw/zinc/70/85/84/1128708584.db2.gz FCAQGBLUMIHYER-HWPZZCPQSA-N 0 0 263.356 3.761 20 10 CHCDRN COc1cccc(N[C@H](C)c2ccccc2O)c1F ZINC000690044676 1128724372 /nfs/dbraw/zinc/72/43/72/1128724372.db2.gz DFXAVBWMVUUSED-SNVBAGLBSA-N 0 0 261.296 3.713 20 10 CHCDRN Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c(C)c1 ZINC000185066636 1117759326 /nfs/dbraw/zinc/75/93/26/1117759326.db2.gz FMJIBBUEHCGBTG-ZDUSSCGKSA-N 0 0 273.351 3.999 20 10 CHCDRN CSc1cccc(N(C)C(=O)/C=C\c2cncc(C)c2)c1 ZINC000254926651 1117892071 /nfs/dbraw/zinc/89/20/71/1117892071.db2.gz WFJPKJDWBBQFKG-FPLPWBNLSA-N 0 0 298.411 3.788 20 10 CHCDRN C[C@@H]([NH2+][C@H](CCO)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000185828878 1117914425 /nfs/dbraw/zinc/91/44/25/1117914425.db2.gz OVALGMWJBABYKU-MLGOLLRUSA-N 0 0 295.398 3.513 20 10 CHCDRN CC[C@@H]([NH2+]CCc1cccc(C)n1)c1ccc(F)cc1[O-] ZINC000287636530 1117980682 /nfs/dbraw/zinc/98/06/82/1117980682.db2.gz ULMDZJOKOUPYPW-MRXNPFEDSA-N 0 0 288.366 3.518 20 10 CHCDRN C[N@H+](Cc1c2c(ccc1O)oc1c2CCCC1)C1CC1 ZINC000049227371 1128748838 /nfs/dbraw/zinc/74/88/38/1128748838.db2.gz FJGSWVMMJIJGOP-UHFFFAOYSA-N 0 0 271.360 3.611 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)CC1=CCCCC1 ZINC000471228605 1117999619 /nfs/dbraw/zinc/99/96/19/1117999619.db2.gz VSEOWLUVJXPKTP-UHFFFAOYSA-N 0 0 296.414 3.993 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C1(C)CCCC1 ZINC000471239293 1118015590 /nfs/dbraw/zinc/01/55/90/1118015590.db2.gz PWISQYDLGRFAAK-UHFFFAOYSA-N 0 0 284.403 3.683 20 10 CHCDRN Cc1ccc([C@@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)c(O)c1 ZINC000186138364 1118021309 /nfs/dbraw/zinc/02/13/09/1118021309.db2.gz QCOVOOKHTLFSKA-CQSZACIVSA-N 0 0 299.418 3.863 20 10 CHCDRN CC1=C(C)C[C@@H](C(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890760922 1118077777 /nfs/dbraw/zinc/07/77/77/1118077777.db2.gz DXDWLMGRAMCDHF-LBPRGKRZSA-N 0 0 293.794 3.798 20 10 CHCDRN Cc1ccc(NC(=S)NNc2ccc(F)cc2)cc1F ZINC000007351236 1118109344 /nfs/dbraw/zinc/10/93/44/1118109344.db2.gz AYMIGUWDWFZIGM-UHFFFAOYSA-N 0 0 293.342 3.587 20 10 CHCDRN Clc1cnc(Sc2nnc(-c3ccccc3)o2)s1 ZINC000765000558 1118129602 /nfs/dbraw/zinc/12/96/02/1118129602.db2.gz MBJFEUSLSKZDAA-UHFFFAOYSA-N 0 0 295.776 3.998 20 10 CHCDRN c1csc(SCc2ccc(-n3ccnc3)cc2)n1 ZINC000187911543 1128757873 /nfs/dbraw/zinc/75/78/73/1128757873.db2.gz SUIKZUFWKWQAOB-UHFFFAOYSA-N 0 0 273.386 3.621 20 10 CHCDRN CC1(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000224167509 1118168128 /nfs/dbraw/zinc/16/81/28/1118168128.db2.gz FHUFOTVGLOTVMK-UHFFFAOYSA-N 0 0 260.164 3.589 20 10 CHCDRN Cc1ccc([C@H](C)Nc2cccc3c2CCO3)c(O)c1 ZINC000690210667 1118197572 /nfs/dbraw/zinc/19/75/72/1118197572.db2.gz WLKCFSVTCXMJTJ-LBPRGKRZSA-N 0 0 269.344 3.809 20 10 CHCDRN C[C@@H](NC(=O)c1ccccc1C1(C)CC1)c1ccccc1O ZINC001648891927 1118272884 /nfs/dbraw/zinc/27/28/84/1118272884.db2.gz JHXMMHVVBJQDJL-CYBMUJFWSA-N 0 0 295.382 3.935 20 10 CHCDRN C[C@H]1CC(C)(C)C[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC001652675028 1118274259 /nfs/dbraw/zinc/27/42/59/1118274259.db2.gz WSTHKIPFUVVQQE-VIFPVBQESA-N 0 0 271.763 3.805 20 10 CHCDRN C[C@]1(C(=O)Nc2ccc(N)cc2)CCCc2ccccc21 ZINC000160338391 1118302375 /nfs/dbraw/zinc/30/23/75/1118302375.db2.gz ZEQIHJUYXNONNY-SFHVURJKSA-N 0 0 280.371 3.502 20 10 CHCDRN CC[C@@H]([NH2+]CCOc1ccccc1)c1ccc(F)cc1[O-] ZINC000796673484 1118322329 /nfs/dbraw/zinc/32/23/29/1118322329.db2.gz QVGMQVSWUNKFAG-MRXNPFEDSA-N 0 0 289.350 3.651 20 10 CHCDRN COc1cc(Cl)cc(CNc2cccc(F)c2)c1O ZINC000076274055 1128772034 /nfs/dbraw/zinc/77/20/34/1128772034.db2.gz BAGXBNVMFWQBNA-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN COCc1ccc(Cl)c(N(C)c2ccc(N)cc2)c1 ZINC001215597383 1118534678 /nfs/dbraw/zinc/53/46/78/1118534678.db2.gz IHRJQQOSQRMJQU-UHFFFAOYSA-N 0 0 276.767 3.837 20 10 CHCDRN CCN1C(=O)/C(=C\c2cc(Cl)cs2)SC1=S ZINC000779220872 1128790156 /nfs/dbraw/zinc/79/01/56/1128790156.db2.gz JWRFBCGVKZUNMM-XBXARRHUSA-N 0 0 289.834 3.623 20 10 CHCDRN CC(C)N(CCCSc1nccs1)CC(F)(F)F ZINC000180321624 1128786642 /nfs/dbraw/zinc/78/66/42/1128786642.db2.gz FERWREDRTCPGGW-UHFFFAOYSA-N 0 0 298.399 3.898 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CCCC1(F)F)c1cc(F)cc(F)c1[O-] ZINC000834885105 1118610140 /nfs/dbraw/zinc/61/01/40/1118610140.db2.gz GOKYEAMWRHELQP-RKDXNWHRSA-N 0 0 291.288 3.756 20 10 CHCDRN CC[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000834906589 1118623548 /nfs/dbraw/zinc/62/35/48/1118623548.db2.gz XVRJOZNSBJUGIQ-IUODEOHRSA-N 0 0 297.826 3.903 20 10 CHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H](C)C1 ZINC000725724656 1118676941 /nfs/dbraw/zinc/67/69/41/1118676941.db2.gz BOOUVGUGFSTMGU-NSHDSACASA-N 0 0 288.416 3.638 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000182359038 1118705590 /nfs/dbraw/zinc/70/55/90/1118705590.db2.gz OCINKCNAIFQILG-UHFFFAOYSA-N 0 0 291.753 3.964 20 10 CHCDRN C[C@H](NC(=O)/C=C\C1CCCC1)c1ccc(N(C)C)cc1 ZINC000843581729 1118741971 /nfs/dbraw/zinc/74/19/71/1118741971.db2.gz VAKZOZYHOURYTD-MQJVFOOVSA-N 0 0 286.419 3.676 20 10 CHCDRN CCC1([NH2+]Cc2cccc(Br)c2[O-])CCC1 ZINC000129066130 1118754738 /nfs/dbraw/zinc/75/47/38/1118754738.db2.gz ZLDAJCSVJZFDIS-UHFFFAOYSA-N 0 0 284.197 3.577 20 10 CHCDRN Cc1ccc(N(C)C(=O)/C=C\c2cncc(F)c2)c(C)c1 ZINC000255437785 1118927949 /nfs/dbraw/zinc/92/79/49/1118927949.db2.gz ZXRATBVUESTYLX-ALCCZGGFSA-N 0 0 284.334 3.514 20 10 CHCDRN Oc1ccccc1CNc1cc(Cl)nc(C2CCC2)n1 ZINC000892161261 1118996243 /nfs/dbraw/zinc/99/62/43/1118996243.db2.gz IXKLETGGPKBBPY-UHFFFAOYSA-N 0 0 289.766 3.715 20 10 CHCDRN CCc1cnc(COc2ccc3c(c2)c(C)c(C)n3C)o1 ZINC000582294828 1119047628 /nfs/dbraw/zinc/04/76/28/1119047628.db2.gz WWKNFIHUFJZCCV-UHFFFAOYSA-N 0 0 284.359 3.925 20 10 CHCDRN CCc1cccc(NCc2ccc(OC)c(OC)c2O)c1 ZINC000892258792 1119068353 /nfs/dbraw/zinc/06/83/53/1119068353.db2.gz IUYMUDMOQLJAOW-UHFFFAOYSA-N 0 0 287.359 3.584 20 10 CHCDRN C[C@H]1C[N@@H+](Cc2c([O-])cc(F)cc2F)CCC[C@@H]1C ZINC001140582931 1119148520 /nfs/dbraw/zinc/14/85/20/1119148520.db2.gz PWMMAOURNXFHKK-QWRGUYRKSA-N 0 0 269.335 3.538 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)Cc1ccccc1 ZINC000120263545 1119234796 /nfs/dbraw/zinc/23/47/96/1119234796.db2.gz ICQSPJBVCBUXNG-UHFFFAOYSA-N 0 0 297.398 3.620 20 10 CHCDRN C[C@@H](NC(=O)OC1CCCCC1)c1ccc(N(C)C)cc1 ZINC001211573723 1119340040 /nfs/dbraw/zinc/34/00/40/1119340040.db2.gz WQBBXJAAHZISCF-CYBMUJFWSA-N 0 0 290.407 3.873 20 10 CHCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@@H]3C3CC3)c2c1 ZINC000728562916 1119345025 /nfs/dbraw/zinc/34/50/25/1119345025.db2.gz RIYNNONZSGSHQA-GOSISDBHSA-N 0 0 297.398 3.928 20 10 CHCDRN C[C@H](C1CC1)n1cc(N[C@@H](C)c2ccc(F)cc2O)cn1 ZINC000187629547 1119398137 /nfs/dbraw/zinc/39/81/37/1119398137.db2.gz YJMHWGIGLZTVSZ-WDEREUQCSA-N 0 0 289.354 3.872 20 10 CHCDRN C[C@@H](C[N@H+](C)Cc1cc(F)cc(F)c1[O-])C(C)(C)C ZINC000708433530 1119452208 /nfs/dbraw/zinc/45/22/08/1119452208.db2.gz LIBJPVULCIKNHV-JTQLQIEISA-N 0 0 271.351 3.784 20 10 CHCDRN Fc1ccc(-c2noc(CSc3nccs3)n2)cc1 ZINC000052914068 1119490256 /nfs/dbraw/zinc/49/02/56/1119490256.db2.gz KYIKBUJTJUDEPA-UHFFFAOYSA-N 0 0 293.348 3.625 20 10 CHCDRN CC(C)OC(=O)O[C@H](C)Sc1ncc(Cl)s1 ZINC000850000460 1119601833 /nfs/dbraw/zinc/60/18/33/1119601833.db2.gz VVCBJWFKROIEOD-LURJTMIESA-N 0 0 281.786 3.796 20 10 CHCDRN CCCC[C@H](CC)C(=O)N[C@@H](C)c1ccccc1O ZINC000827982182 1119624297 /nfs/dbraw/zinc/62/42/97/1119624297.db2.gz NGODMHGPOABNKR-STQMWFEESA-N 0 0 263.381 3.786 20 10 CHCDRN c1ccc2[nH]c(NCc3ccc(N4CCCC4)cc3)nc2c1 ZINC000179282423 1119700646 /nfs/dbraw/zinc/70/06/46/1119700646.db2.gz VJWBYWGSENTBNO-UHFFFAOYSA-N 0 0 292.386 3.775 20 10 CHCDRN COCCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255841444 1119755509 /nfs/dbraw/zinc/75/55/09/1119755509.db2.gz CFZDAQJPZZHVPH-UHFFFAOYSA-N 0 0 298.346 3.870 20 10 CHCDRN Cc1snnc1-c1nc(-c2cccc(C)c2Cl)no1 ZINC001212405285 1120067946 /nfs/dbraw/zinc/06/79/46/1120067946.db2.gz LTVZZHGDEXTQCC-UHFFFAOYSA-N 0 0 292.751 3.525 20 10 CHCDRN C[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000190971141 1128894396 /nfs/dbraw/zinc/89/43/96/1128894396.db2.gz HHNORWWFVLRLFY-UKRRQHHQSA-N 0 0 290.407 3.502 20 10 CHCDRN CC(C)(CC[NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000328560612 1120179568 /nfs/dbraw/zinc/17/95/68/1120179568.db2.gz FTOGEYRNEJBGDC-UHFFFAOYSA-N 0 0 267.800 3.962 20 10 CHCDRN Cc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)N(C)CCO3)c1 ZINC000186458282 1120195388 /nfs/dbraw/zinc/19/53/88/1120195388.db2.gz DNJOOQKROYOYOS-CYBMUJFWSA-N 0 0 298.386 3.702 20 10 CHCDRN CCC[N@H+](CC)Cc1cc(Br)cc(F)c1[O-] ZINC000715702577 1120237234 /nfs/dbraw/zinc/23/72/34/1120237234.db2.gz LXXRYDQPONBQCX-UHFFFAOYSA-N 0 0 290.176 3.526 20 10 CHCDRN CC[C@H](C)[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715705066 1120238905 /nfs/dbraw/zinc/23/89/05/1120238905.db2.gz YLKPYXDUEUMDAA-QMMMGPOBSA-N 0 0 290.176 3.524 20 10 CHCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CC12CCCC2 ZINC000395631218 1120269859 /nfs/dbraw/zinc/26/98/59/1120269859.db2.gz CMCVEHSGXSIALE-GFCCVEGCSA-N 0 0 296.208 3.577 20 10 CHCDRN COc1cc(NCc2ccccc2O)ccc1OC(C)C ZINC000185457936 1120377584 /nfs/dbraw/zinc/37/75/84/1120377584.db2.gz VMKCCHBVRWKPEF-UHFFFAOYSA-N 0 0 287.359 3.800 20 10 CHCDRN CC[C@@H](Nc1ccccc1OC)c1ccccc1O ZINC000019901999 1120546992 /nfs/dbraw/zinc/54/69/92/1120546992.db2.gz NKYOIVZIYDPUDQ-CYBMUJFWSA-N 0 0 257.333 3.964 20 10 CHCDRN CC[C@H]([NH2+]CCCCO)c1ccc(Cl)c(Cl)c1[O-] ZINC000194218670 1120595613 /nfs/dbraw/zinc/59/56/13/1120595613.db2.gz UQIUWXYUWIWRFN-NSHDSACASA-N 0 0 292.206 3.512 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccc(F)cc1[O-] ZINC000796798994 1120818272 /nfs/dbraw/zinc/81/82/72/1120818272.db2.gz OVJCQKMDURIZIS-WBMJQRKESA-N 0 0 288.366 3.771 20 10 CHCDRN C[C@H]1C[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H]1C ZINC000211661190 1120900799 /nfs/dbraw/zinc/90/07/99/1120900799.db2.gz OFBKEOORXAFINP-IUCAKERBSA-N 0 0 274.191 3.787 20 10 CHCDRN CSc1ccc(N[C@@H](C)c2ccc(F)cc2O)nc1 ZINC000756845326 1120938058 /nfs/dbraw/zinc/93/80/58/1120938058.db2.gz QWSIRUBPZIMCGR-VIFPVBQESA-N 0 0 278.352 3.821 20 10 CHCDRN Cc1cncc(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001174762741 1121022737 /nfs/dbraw/zinc/02/27/37/1121022737.db2.gz KJFCFMFNXKHNJW-UHFFFAOYSA-N 0 0 289.338 3.760 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1CCCC1 ZINC000070899713 1121037285 /nfs/dbraw/zinc/03/72/85/1121037285.db2.gz PVHNLTHGWWUYIE-UHFFFAOYSA-N 0 0 288.435 3.681 20 10 CHCDRN Cc1cc(Nc2ccccc2C(=O)c2ccccc2)n(C)n1 ZINC001174823703 1121045379 /nfs/dbraw/zinc/04/53/79/1121045379.db2.gz SFXZRHOYFNNLGO-UHFFFAOYSA-N 0 0 291.354 3.703 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccsc1 ZINC000344010574 1121052066 /nfs/dbraw/zinc/05/20/66/1121052066.db2.gz KGXCBUJLKQJTIK-UHFFFAOYSA-N 0 0 299.399 3.870 20 10 CHCDRN CCCCCC[C@@H](C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779494271 1128960936 /nfs/dbraw/zinc/96/09/36/1128960936.db2.gz VTPNVMAPMUBYNP-YGNAEDSMSA-N 0 0 291.391 3.586 20 10 CHCDRN [O-]c1c(C[NH2+][C@H]2CCCc3sccc32)ccc(F)c1F ZINC000700764861 1121121425 /nfs/dbraw/zinc/12/14/25/1121121425.db2.gz HVRGGRUMNIRBBH-LBPRGKRZSA-N 0 0 295.354 3.899 20 10 CHCDRN CCOc1cccc(CNc2ccc(F)c(C)c2)c1O ZINC000061117590 1121174810 /nfs/dbraw/zinc/17/48/10/1121174810.db2.gz JWSOKVNGFFSALP-UHFFFAOYSA-N 0 0 275.323 3.851 20 10 CHCDRN CCc1cc(C)nc(NCc2c(O)ccc3c2CCCC3)n1 ZINC000766086435 1121205210 /nfs/dbraw/zinc/20/52/10/1121205210.db2.gz VAXALRUXXZHVAX-UHFFFAOYSA-N 0 0 297.402 3.544 20 10 CHCDRN CCOc1cc(Nc2ccc(N)cc2)c(F)cc1F ZINC001212531801 1121232639 /nfs/dbraw/zinc/23/26/39/1121232639.db2.gz UABLZAZWCFNSIP-UHFFFAOYSA-N 0 0 264.275 3.689 20 10 CHCDRN O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccccc1O ZINC000319351520 1121289041 /nfs/dbraw/zinc/28/90/41/1121289041.db2.gz VPXWSNUPAFHMOQ-UHFFFAOYSA-N 0 0 299.414 3.615 20 10 CHCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(C2CC2)cc1 ZINC000779546927 1128977186 /nfs/dbraw/zinc/97/71/86/1128977186.db2.gz GDSCTTWHUWENIE-WTDSWWLTSA-N 0 0 295.338 3.627 20 10 CHCDRN Cc1ccc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000708421123 1121464514 /nfs/dbraw/zinc/46/45/14/1121464514.db2.gz PMCIEJGJLMFSTR-NSHDSACASA-N 0 0 277.314 3.830 20 10 CHCDRN Oc1cccc(Nc2ccc(-c3ccccc3)nc2)c1O ZINC001175834188 1121470421 /nfs/dbraw/zinc/47/04/21/1121470421.db2.gz XETZAYWIOPMJIA-UHFFFAOYSA-N 0 0 278.311 3.903 20 10 CHCDRN COc1cc(C)cc(CNc2ccccc2C)c1O ZINC000894097471 1121473767 /nfs/dbraw/zinc/47/37/67/1121473767.db2.gz LVAIPTRZGMLGAC-UHFFFAOYSA-N 0 0 257.333 3.630 20 10 CHCDRN O=C(c1ccncc1)c1ccccc1Nc1ccc(F)cn1 ZINC001175853962 1121481913 /nfs/dbraw/zinc/48/19/13/1121481913.db2.gz RXXWHCACTMGLEU-UHFFFAOYSA-N 0 0 293.301 3.590 20 10 CHCDRN COc1cccc2[nH]c(Nc3ccc(N)cc3)cc21 ZINC001176064944 1121545361 /nfs/dbraw/zinc/54/53/61/1121545361.db2.gz VNMKADIELQMVIG-UHFFFAOYSA-N 0 0 253.305 3.502 20 10 CHCDRN Nc1ccc(Cc2ccc(NC3=CCOCC3)cc2)cc1 ZINC001176149239 1121551841 /nfs/dbraw/zinc/55/18/41/1121551841.db2.gz SNVKIEQUVGYXTB-UHFFFAOYSA-N 0 0 280.371 3.576 20 10 CHCDRN CC(C)Oc1cccc(F)c1N(C)c1ccc(N)cc1 ZINC001211780645 1121583241 /nfs/dbraw/zinc/58/32/41/1121583241.db2.gz KMAZWMYVUBJONE-UHFFFAOYSA-N 0 0 274.339 3.963 20 10 CHCDRN CCOc1cc(F)c(F)cc1N(C)c1ccc(N)cc1 ZINC001211808015 1121604908 /nfs/dbraw/zinc/60/49/08/1121604908.db2.gz YEMJWWIQNYRCAH-UHFFFAOYSA-N 0 0 278.302 3.714 20 10 CHCDRN Cc1ncc(N(c2ccccc2)c2ccc(N)cc2)cn1 ZINC001176395835 1121625073 /nfs/dbraw/zinc/62/50/73/1121625073.db2.gz CRSHSENEAVSFSN-UHFFFAOYSA-N 0 0 276.343 3.837 20 10 CHCDRN CC(C)CCN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773630550 1121718929 /nfs/dbraw/zinc/71/89/29/1121718929.db2.gz UREQZNLDSPVZEU-AWEZNQCLSA-N 0 0 291.439 3.501 20 10 CHCDRN CCOc1cccc(NCc2ccc(N(C)C)c(F)c2)c1 ZINC001177391480 1121729385 /nfs/dbraw/zinc/72/93/85/1121729385.db2.gz LBPFBVQJUBAHGM-UHFFFAOYSA-N 0 0 288.366 3.903 20 10 CHCDRN CCCC[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1O ZINC000727941463 1121755915 /nfs/dbraw/zinc/75/59/15/1121755915.db2.gz WRHHLGWWHVNWLW-UKRRQHHQSA-N 0 0 290.407 3.550 20 10 CHCDRN CC(C)CC1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCC1 ZINC001178175861 1121769236 /nfs/dbraw/zinc/76/92/36/1121769236.db2.gz BTLMQPDDLJNYSM-UHFFFAOYSA-N 0 0 283.362 3.976 20 10 CHCDRN O=C(/C=C\c1cncc(F)c1)N1CCCCc2ccccc21 ZINC000729371820 1121783955 /nfs/dbraw/zinc/78/39/55/1121783955.db2.gz LBBPNASCRHBTIF-HJWRWDBZSA-N 0 0 296.345 3.603 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)C2CCC2)c1 ZINC001178425884 1121787946 /nfs/dbraw/zinc/78/79/46/1121787946.db2.gz KXAGARAJKLFRJJ-SNVBAGLBSA-N 0 0 298.224 3.741 20 10 CHCDRN CN(C)c1ccc(/C=C/CNC2(C(F)F)CCCC2)cc1 ZINC001178841146 1121820584 /nfs/dbraw/zinc/82/05/84/1121820584.db2.gz ZMUHFEWFOWLWAR-AATRIKPKSA-N 0 0 294.389 3.933 20 10 CHCDRN Cc1ccc(NCc2ccc(N3CCCC3)cc2)cn1 ZINC000149821104 1121845223 /nfs/dbraw/zinc/84/52/23/1121845223.db2.gz OKUKUYMFYICCDR-UHFFFAOYSA-N 0 0 267.376 3.602 20 10 CHCDRN CC(C)[C@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000731869355 1121891179 /nfs/dbraw/zinc/89/11/79/1121891179.db2.gz QNEJWOZHWOPXDU-AWEZNQCLSA-N 0 0 289.400 3.623 20 10 CHCDRN O=C(OCc1cccc2ccccc21)C1=CC(=O)CS1 ZINC000731911193 1121894917 /nfs/dbraw/zinc/89/49/17/1121894917.db2.gz FKRAFCWRPMYLAZ-UHFFFAOYSA-N 0 0 284.336 3.964 20 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294.414 3.724 20 10 CHCDRN C[C@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])CC[C@@H]1C ZINC001180198581 1121964661 /nfs/dbraw/zinc/96/46/61/1121964661.db2.gz DWXFECKJFCCYCM-UWVGGRQHSA-N 0 0 271.763 3.663 20 10 CHCDRN Cc1ccc(C[N@H+](Cc2cc(F)cc(F)c2[O-])C2CC2)o1 ZINC001180402115 1121985430 /nfs/dbraw/zinc/98/54/30/1121985430.db2.gz BIFOSVQJFWGZSH-UHFFFAOYSA-N 0 0 293.313 3.736 20 10 CHCDRN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C)CC2)c1[O-] ZINC000110806794 1122003139 /nfs/dbraw/zinc/00/31/39/1122003139.db2.gz YLOBDYLFXFVYRK-NSHDSACASA-N 0 0 295.810 3.870 20 10 CHCDRN CCC[C@@](C)(NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC001180681219 1122007379 /nfs/dbraw/zinc/00/73/79/1122007379.db2.gz FBXIBIOGDQEWQZ-GOSISDBHSA-N 0 0 299.370 3.543 20 10 CHCDRN COc1ccc2c(c1)CCCN2C[C@]1(C)CCCS1 ZINC001180715580 1122007556 /nfs/dbraw/zinc/00/75/56/1122007556.db2.gz ANSUPCDERRMHST-INIZCTEOSA-N 0 0 277.433 3.734 20 10 CHCDRN COCCOc1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000319673317 1122068291 /nfs/dbraw/zinc/06/82/91/1122068291.db2.gz FUWCWXWIDLMVAP-INIZCTEOSA-N 0 0 299.370 3.517 20 10 CHCDRN Cc1ccc(CN2CC(F)(c3ccccc3F)C2)c(O)c1 ZINC001182215028 1122121284 /nfs/dbraw/zinc/12/12/84/1122121284.db2.gz CQXPYEZVGGYKDV-UHFFFAOYSA-N 0 0 289.325 3.520 20 10 CHCDRN C[C@H](NC(=S)Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000774256034 1122148175 /nfs/dbraw/zinc/14/81/75/1122148175.db2.gz MEPPECMBILPVQA-ZDUSSCGKSA-N 0 0 299.443 3.800 20 10 CHCDRN Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@@H](C)c1ccccc1O ZINC000272843629 1122213915 /nfs/dbraw/zinc/21/39/15/1122213915.db2.gz JYLAUQQHVUISEG-XJKSGUPXSA-N 0 0 283.371 3.793 20 10 CHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)c2ccccc2)c1 ZINC000273422116 1122233127 /nfs/dbraw/zinc/23/31/27/1122233127.db2.gz SLMNPGIQBHLQER-STQMWFEESA-N 0 0 299.370 3.591 20 10 CHCDRN CC1(C)C(C)(C)C1(C)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001184180111 1122258354 /nfs/dbraw/zinc/25/83/54/1122258354.db2.gz YOUQXMXOACTGAC-UHFFFAOYSA-N 0 0 267.800 3.960 20 10 CHCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)C1CCCCC1 ZINC001186353475 1122384719 /nfs/dbraw/zinc/38/47/19/1122384719.db2.gz NWANDBBYNWGDOO-OLZOCXBDSA-N 0 0 290.407 3.721 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1ccc2ccccc2c1O ZINC000319798460 1122411776 /nfs/dbraw/zinc/41/17/76/1122411776.db2.gz ANXLDSVOVFWBLO-OFQRWUPVSA-N 0 0 299.414 3.747 20 10 CHCDRN COC(=O)c1cc(CSc2nccs2)ccc1C ZINC001188660932 1122471100 /nfs/dbraw/zinc/47/11/00/1122471100.db2.gz UREHCWGYKONOLD-UHFFFAOYSA-N 0 0 279.386 3.530 20 10 CHCDRN Cc1cc(C(=O)N[C@@H](C)CC(C)C)c(C)n1-c1ccccn1 ZINC000121380989 1122538612 /nfs/dbraw/zinc/53/86/12/1122538612.db2.gz ZDHGOSCJMNHNHL-ZDUSSCGKSA-N 0 0 299.418 3.654 20 10 CHCDRN CC/C(C)=C(\C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775409340 1122553515 /nfs/dbraw/zinc/55/35/15/1122553515.db2.gz FOAKILMBAPGWNO-XTZCOPOCSA-N 0 0 274.408 3.676 20 10 CHCDRN Cc1ccc(O)c(CNc2cccc(OC(F)F)c2)c1 ZINC000071407578 1129062254 /nfs/dbraw/zinc/06/22/54/1129062254.db2.gz BPGZHIUBXLCKDG-UHFFFAOYSA-N 0 0 279.286 3.914 20 10 CHCDRN Cc1ccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000775410755 1122555120 /nfs/dbraw/zinc/55/51/20/1122555120.db2.gz WKAJALQSGMXMPY-CQSZACIVSA-N 0 0 297.402 3.944 20 10 CHCDRN Cc1cc(NC(=O)N[C@H](C)c2ccccc2O)ccc1F ZINC001192407723 1122646053 /nfs/dbraw/zinc/64/60/53/1122646053.db2.gz RKANDGTUDQZIIK-LLVKDONJSA-N 0 0 288.322 3.722 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCCOCC1)c1cc(Cl)ccc1O ZINC000775532255 1122648382 /nfs/dbraw/zinc/64/83/82/1122648382.db2.gz UINPTUBHUZJOMI-JSGCOSHPSA-N 0 0 283.799 3.655 20 10 CHCDRN C=Cc1ccc(NC(=O)c2ccc(O)c(O)c2Cl)cc1 ZINC001193232715 1122681813 /nfs/dbraw/zinc/68/18/13/1122681813.db2.gz NUCCRRNDMNNEND-UHFFFAOYSA-N 0 0 289.718 3.647 20 10 CHCDRN CCC(CC)COC(=O)N[C@H](C)c1ccccc1O ZINC001194721693 1122797910 /nfs/dbraw/zinc/79/79/10/1122797910.db2.gz NOAXJLNNQQKISE-LLVKDONJSA-N 0 0 265.353 3.616 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(C)nc2C)cc1Cl ZINC000775615467 1122813605 /nfs/dbraw/zinc/81/36/05/1122813605.db2.gz MYMKFWCHTCFQSF-UHFFFAOYSA-N 0 0 290.794 3.997 20 10 CHCDRN O=C(Nc1ccc(-c2ccc[nH]2)cc1)C1=CC(=O)CS1 ZINC000775619693 1122819548 /nfs/dbraw/zinc/81/95/48/1122819548.db2.gz ZRKKDEKWDVDJIX-UHFFFAOYSA-N 0 0 284.340 3.701 20 10 CHCDRN CCN(C)c1ccc([C@H](C)Nc2ccc(OC)nc2)cc1 ZINC000775620445 1122821912 /nfs/dbraw/zinc/82/19/12/1122821912.db2.gz YYVZHHDFWNCATL-ZDUSSCGKSA-N 0 0 285.391 3.719 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCC(C(F)F)CC1 ZINC000775700177 1122911714 /nfs/dbraw/zinc/91/17/14/1122911714.db2.gz HKSSRGWDJJRALH-UHFFFAOYSA-N 0 0 293.716 3.662 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC2(CCC2)C1 ZINC000775699705 1122911999 /nfs/dbraw/zinc/91/19/99/1122911999.db2.gz CDEGYFWIDOKEMT-UHFFFAOYSA-N 0 0 269.747 3.561 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH+](CC1CC1)CC1CC1 ZINC000775702306 1122913972 /nfs/dbraw/zinc/91/39/72/1122913972.db2.gz OMYWELXCXPLEQP-UHFFFAOYSA-N 0 0 265.784 3.668 20 10 CHCDRN Cc1ccn(-c2ccccc2NCc2cccc(C)c2O)n1 ZINC000775748763 1122939120 /nfs/dbraw/zinc/93/91/20/1122939120.db2.gz AWCKLAUYEKDHPK-UHFFFAOYSA-N 0 0 293.370 3.807 20 10 CHCDRN Cc1c(NCc2ccc(N(C)C)cc2)cccc1N(C)C ZINC000775763065 1122947065 /nfs/dbraw/zinc/94/70/65/1122947065.db2.gz DIILVOFJCLPDKB-UHFFFAOYSA-N 0 0 283.419 3.739 20 10 CHCDRN CCOc1ccc(N(C)CC[C@@H]2C[C@H]2C2CC2)cc1 ZINC001197565570 1122959820 /nfs/dbraw/zinc/95/98/20/1122959820.db2.gz VLBYPNLFZIFUBY-PBHICJAKSA-N 0 0 259.393 3.958 20 10 CHCDRN Cc1ccccc1NC(=S)NCc1cc(Cl)ccn1 ZINC001198394380 1122991524 /nfs/dbraw/zinc/99/15/24/1122991524.db2.gz SRVJXIVITCINGX-UHFFFAOYSA-N 0 0 291.807 3.530 20 10 CHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)C1=CC=CC1 ZINC001199701023 1123038224 /nfs/dbraw/zinc/03/82/24/1123038224.db2.gz OMVGZZNWBMDMDE-KRWDZBQOSA-N 0 0 297.398 3.635 20 10 CHCDRN Nc1ccc(Nc2cccc3c2C(=O)c2ccccc2-3)cn1 ZINC001201293098 1123084073 /nfs/dbraw/zinc/08/40/73/1123084073.db2.gz XXHUEQBZURXLQC-UHFFFAOYSA-N 0 0 287.322 3.619 20 10 CHCDRN Cc1c[nH]c(=O)cc1Nc1ccc(NC(C)C)cc1 ZINC001201489518 1123108777 /nfs/dbraw/zinc/10/87/77/1123108777.db2.gz RJWOEYLAQMFGET-UHFFFAOYSA-N 0 0 257.337 3.660 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc3c(c2)C(=O)N(C)C3)cc1 ZINC001201498118 1123111361 /nfs/dbraw/zinc/11/13/61/1123111361.db2.gz SQGBKTKSPPQSAB-UHFFFAOYSA-N 0 0 295.386 3.836 20 10 CHCDRN COc1ccc(Nc2ccc(NC(C)C)cc2)c(O)c1 ZINC001201497991 1123111575 /nfs/dbraw/zinc/11/15/75/1123111575.db2.gz PKROVOJEWXGQJL-UHFFFAOYSA-N 0 0 272.348 3.965 20 10 CHCDRN CC(C)Nc1ccc(Nc2c(N)cccc2O)cc1 ZINC001201499926 1123112560 /nfs/dbraw/zinc/11/25/60/1123112560.db2.gz UXVOLTPIXDYOEM-UHFFFAOYSA-N 0 0 257.337 3.538 20 10 CHCDRN COc1cccc(N)c1Nc1ccc(NC(C)C)cc1 ZINC001201499404 1123112576 /nfs/dbraw/zinc/11/25/76/1123112576.db2.gz LRTWGPQDFKUUBE-UHFFFAOYSA-N 0 0 271.364 3.841 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](C)[C@H](C)C2)cc1 ZINC001126507368 1123145800 /nfs/dbraw/zinc/14/58/00/1123145800.db2.gz OYBMQDHXFHYKJD-OKILXGFUSA-N 0 0 296.414 3.822 20 10 CHCDRN CCC[C@H](C)N(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776237208 1123173802 /nfs/dbraw/zinc/17/38/02/1123173802.db2.gz FHJHGRWAPZVIKV-UONOGXRCSA-N 0 0 291.439 3.644 20 10 CHCDRN C[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccc1O ZINC001202379794 1123204363 /nfs/dbraw/zinc/20/43/63/1123204363.db2.gz YPILKTUBKVZWIW-JTQLQIEISA-N 0 0 290.750 3.928 20 10 CHCDRN CCC(C)(C)NC(=O)[C@H](C)Sc1ncc(Cl)s1 ZINC000849998968 1123236202 /nfs/dbraw/zinc/23/62/02/1123236202.db2.gz LJERGFJBNFXNLP-ZETCQYMHSA-N 0 0 292.857 3.582 20 10 CHCDRN CC(C)CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108295350 1123230223 /nfs/dbraw/zinc/23/02/23/1123230223.db2.gz VINOUNAUTFQNSG-UHFFFAOYSA-N 0 0 288.435 3.585 20 10 CHCDRN CC(=O)Nc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1C ZINC000320094298 1123231473 /nfs/dbraw/zinc/23/14/73/1123231473.db2.gz LQJRJARQYJRCNO-MRXNPFEDSA-N 0 0 296.370 3.758 20 10 CHCDRN CC(C)CCOCCSc1ncc(Cl)s1 ZINC000849999418 1123236105 /nfs/dbraw/zinc/23/61/05/1123236105.db2.gz QXERXLDPGMEIMR-UHFFFAOYSA-N 0 0 265.831 3.951 20 10 CHCDRN Cc1cnc([C@H](C)Sc2ncc(Cl)s2)o1 ZINC000849999926 1123236146 /nfs/dbraw/zinc/23/61/46/1123236146.db2.gz CPLSTEQUJUEHMB-LURJTMIESA-N 0 0 260.771 3.946 20 10 CHCDRN CC1(C)CC[C@@H](Sc2ncc(Cl)s2)C1=O ZINC000850001111 1123236891 /nfs/dbraw/zinc/23/68/91/1123236891.db2.gz BNODTIZISPFPLQ-ZCFIWIBFSA-N 0 0 261.799 3.646 20 10 CHCDRN CCCCOc1ccccc1NCc1nc(C)c[nH]1 ZINC000850204547 1123246484 /nfs/dbraw/zinc/24/64/84/1123246484.db2.gz UGNAFJVEPAKWGX-UHFFFAOYSA-N 0 0 259.353 3.509 20 10 CHCDRN Cc1cc(O)c(CN[C@@H](C)c2cscn2)c(Cl)c1 ZINC000850359220 1123256515 /nfs/dbraw/zinc/25/65/15/1123256515.db2.gz AIFKAATXEVCDFA-VIFPVBQESA-N 0 0 282.796 3.661 20 10 CHCDRN Oc1ccccc1CNc1ccc2c(c1)[C@@H](O)CCCC2 ZINC000850362739 1123257493 /nfs/dbraw/zinc/25/74/93/1123257493.db2.gz NEDOWLDGRAETMA-SFHVURJKSA-N 0 0 283.371 3.764 20 10 CHCDRN C[C@]1(CC[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1(F)F ZINC000850380454 1123260572 /nfs/dbraw/zinc/26/05/72/1123260572.db2.gz GFZWAJXHHODXKH-LBPRGKRZSA-N 0 0 293.716 3.710 20 10 CHCDRN CC[C@@H](O)C[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000850529094 1123284246 /nfs/dbraw/zinc/28/42/46/1123284246.db2.gz NHBPTYZECIBVAH-SKDRFNHKSA-N 0 0 292.206 3.511 20 10 CHCDRN C[C@H]([NH2+]CCc1ccoc1)c1cccc(C(F)(F)F)c1[O-] ZINC000850532850 1123286026 /nfs/dbraw/zinc/28/60/26/1123286026.db2.gz YGPZBDRVMSIZQZ-JTQLQIEISA-N 0 0 299.292 3.897 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccc(F)cc1[O-] ZINC000850551822 1123289858 /nfs/dbraw/zinc/28/98/58/1123289858.db2.gz KAZYLZHCDKPRDC-WCQYABFASA-N 0 0 287.325 3.863 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1nccn1C)c1cccc(Cl)c1[O-] ZINC000850572663 1123294905 /nfs/dbraw/zinc/29/49/05/1123294905.db2.gz NCLPFNPJTQIORY-GWCFXTLKSA-N 0 0 293.798 3.581 20 10 CHCDRN Nc1ccc(NC(=O)N2CC[C@H](C3CCCCC3)C2)cc1 ZINC000850750650 1123299758 /nfs/dbraw/zinc/29/97/58/1123299758.db2.gz MWNUMCAOQRAZRJ-AWEZNQCLSA-N 0 0 287.407 3.703 20 10 CHCDRN CCOc1ccc(N(C)Cc2cc(C3CC3)no2)cc1 ZINC000851780542 1123380482 /nfs/dbraw/zinc/38/04/82/1123380482.db2.gz IOSVXNROJVLZOY-UHFFFAOYSA-N 0 0 272.348 3.587 20 10 CHCDRN Cc1cc(O)c(CNc2ccc(N)c(C)c2)cc1C ZINC000853249430 1123430166 /nfs/dbraw/zinc/43/01/66/1123430166.db2.gz FVDLCNWHMAENFT-UHFFFAOYSA-N 0 0 256.349 3.512 20 10 CHCDRN Cc1ccc(Sc2ncc(C(C)(C)C)s2)nn1 ZINC000853446410 1123441092 /nfs/dbraw/zinc/44/10/92/1123441092.db2.gz JSGHDYZQSOHQCR-UHFFFAOYSA-N 0 0 265.407 3.690 20 10 CHCDRN CCC(=O)N(C)c1ccc(NCc2cccc(C)c2O)cc1 ZINC000895622868 1123498332 /nfs/dbraw/zinc/49/83/32/1123498332.db2.gz RFRLEWALDBHBQA-UHFFFAOYSA-N 0 0 298.386 3.686 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]3C[C@H]3C2)cc1 ZINC000856060000 1123545980 /nfs/dbraw/zinc/54/59/80/1123545980.db2.gz WNXFIQLXJQAMJQ-IRXDYDNUSA-N 0 0 294.398 3.576 20 10 CHCDRN CCCc1ccc(/C=C2/SC(=S)N(C)C2=O)s1 ZINC000856718367 1123564870 /nfs/dbraw/zinc/56/48/70/1123564870.db2.gz KWSHCTJMGQRMOX-JXMROGBWSA-N 0 0 283.443 3.532 20 10 CHCDRN C[C@H](CC1CCCC1)C(=O)NCc1cc(Cl)ccc1O ZINC000857547818 1123606453 /nfs/dbraw/zinc/60/64/53/1123606453.db2.gz VEBKEWBDTKQMMZ-LLVKDONJSA-N 0 0 295.810 3.878 20 10 CHCDRN Cc1ccc(CNc2cnn(C3CCCC3)c2)c(O)c1 ZINC000896698216 1123613972 /nfs/dbraw/zinc/61/39/72/1123613972.db2.gz ZNHYOYFOSQBKOD-UHFFFAOYSA-N 0 0 271.364 3.624 20 10 CHCDRN CC(C)(/C=C/Cl)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000896746326 1123618607 /nfs/dbraw/zinc/61/86/07/1123618607.db2.gz COTICMREDITART-VOTSOKGWSA-N 0 0 260.164 3.666 20 10 CHCDRN C[C@H](Nc1cccc2c1OCC2)c1cc(F)cc(F)c1O ZINC000858478419 1123656893 /nfs/dbraw/zinc/65/68/93/1123656893.db2.gz RLJLISZJNORKAN-VIFPVBQESA-N 0 0 291.297 3.778 20 10 CHCDRN CC[C@@H](NCC(F)(F)CC)c1ccc(C)cc1O ZINC000858507551 1123659480 /nfs/dbraw/zinc/65/94/80/1123659480.db2.gz PIENVDIJOAYSEM-GFCCVEGCSA-N 0 0 257.324 3.787 20 10 CHCDRN C[C@H](NCc1cocn1)c1ccc(N2CCCCCC2)cc1 ZINC000777035327 1123661494 /nfs/dbraw/zinc/66/14/94/1123661494.db2.gz DPYRXIUJQGTDKJ-HNNXBMFYSA-N 0 0 299.418 3.906 20 10 CHCDRN Cn1c2ccc(OC(=O)OCCF)cc2c2c1CCCC2 ZINC000859203983 1123690526 /nfs/dbraw/zinc/69/05/26/1123690526.db2.gz NTBINBHATQTAIB-UHFFFAOYSA-N 0 0 291.322 3.542 20 10 CHCDRN COc1ccccc1[C@H](C)Sc1ncc([N+](=O)[O-])s1 ZINC000281977036 1123765916 /nfs/dbraw/zinc/76/59/16/1123765916.db2.gz RVSYDSNPLVMZPJ-QMMMGPOBSA-N 0 0 296.373 3.913 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)CCC(C)(C)C)c1 ZINC000862757478 1123827484 /nfs/dbraw/zinc/82/74/84/1123827484.db2.gz VWOZNDPBDSBBNS-CYBMUJFWSA-N 0 0 277.408 3.779 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)c2ccccc2C(C)C)c1 ZINC000862754034 1123827525 /nfs/dbraw/zinc/82/75/25/1123827525.db2.gz OXDGFSXYQGJGPG-UHFFFAOYSA-N 0 0 283.371 3.754 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCC[C@H]2C2CC2)c1 ZINC000862755167 1123827570 /nfs/dbraw/zinc/82/75/70/1123827570.db2.gz OUQIIKPAUWDYBD-JKSUJKDBSA-N 0 0 287.403 3.533 20 10 CHCDRN Cc1oc(C(C)C)cc1C(=O)NCc1cc(C)ccc1O ZINC000862755030 1123827660 /nfs/dbraw/zinc/82/76/60/1123827660.db2.gz AUDJJYAWRNMIFO-UHFFFAOYSA-N 0 0 287.359 3.655 20 10 CHCDRN CC(C)(O)C=CNc1ccc(Cc2ccc(N)cc2)cc1 ZINC001203221121 1123852614 /nfs/dbraw/zinc/85/26/14/1123852614.db2.gz UDODMSCEASLQMP-VAWYXSNFSA-N 0 0 282.387 3.556 20 10 CHCDRN CCOc1ccc(N(C)Cc2c(C)onc2CC)cc1 ZINC000119346708 1123852721 /nfs/dbraw/zinc/85/27/21/1123852721.db2.gz FSBIPZAJMBNSAC-UHFFFAOYSA-N 0 0 274.364 3.581 20 10 CHCDRN Clc1cccnc1COc1ccc(N2CCCC2)cc1 ZINC000863459082 1123870994 /nfs/dbraw/zinc/87/09/94/1123870994.db2.gz KEKHLCDVRJBEOP-UHFFFAOYSA-N 0 0 288.778 3.914 20 10 CHCDRN CCCOc1ccc(NC(=O)C2=CC(=O)CS2)cc1C ZINC000863525771 1123873501 /nfs/dbraw/zinc/87/35/01/1123873501.db2.gz GYSOKVBOKSMLLS-UHFFFAOYSA-N 0 0 291.372 3.803 20 10 CHCDRN COc1ccc(C)cc1NCc1cccc2c1CCOC2 ZINC000863997088 1123907263 /nfs/dbraw/zinc/90/72/63/1123907263.db2.gz MKLPCNFLTJJZJH-UHFFFAOYSA-N 0 0 283.371 3.688 20 10 CHCDRN Oc1ccc(Cl)c(F)c1CNc1ccc2cn[nH]c2c1 ZINC000864043553 1123912300 /nfs/dbraw/zinc/91/23/00/1123912300.db2.gz QTXJMQIKCYLBBF-UHFFFAOYSA-N 0 0 291.713 3.673 20 10 CHCDRN C[C@@H]1CCC[C@@H](C2C[NH+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC000864055793 1123915111 /nfs/dbraw/zinc/91/51/11/1123915111.db2.gz XZTQAGUTWWAEFX-VXGBXAGGSA-N 0 0 295.373 3.929 20 10 CHCDRN CN(C)c1ccc(CNc2ccnc(Cl)c2)cc1F ZINC000301609034 1123917062 /nfs/dbraw/zinc/91/70/62/1123917062.db2.gz ARTQXIJBNZYSGJ-UHFFFAOYSA-N 0 0 279.746 3.552 20 10 CHCDRN CC(C)(C)c1cnc(SCCc2cnccn2)s1 ZINC000865358981 1123974169 /nfs/dbraw/zinc/97/41/69/1123974169.db2.gz CAUKHPWUZZLJGN-UHFFFAOYSA-N 0 0 279.434 3.565 20 10 CHCDRN C[C@H](Nc1ccnc(C(C)(C)C)n1)c1ccccc1O ZINC000866238099 1124040223 /nfs/dbraw/zinc/04/02/23/1124040223.db2.gz MAMGLPRWVJWRMX-NSHDSACASA-N 0 0 271.364 3.653 20 10 CHCDRN COc1ccc(N(C)Cc2cnc(C)s2)cc1Cl ZINC000121897900 1124104995 /nfs/dbraw/zinc/10/49/95/1124104995.db2.gz PLJOBBQIBGVARI-UHFFFAOYSA-N 0 0 282.796 3.750 20 10 CHCDRN C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000819501808 1131251603 /nfs/dbraw/zinc/25/16/03/1131251603.db2.gz LWHXMQLPUDDXLM-ZQIUZPCESA-N 0 0 288.435 3.756 20 10 CHCDRN Cc1cc(C(=O)N[C@@H]2CC23CC3)c(C)n1-c1ccc(F)cc1 ZINC000819625514 1131257116 /nfs/dbraw/zinc/25/71/16/1131257116.db2.gz SHQHXXUAICABFT-MRXNPFEDSA-N 0 0 298.361 3.516 20 10 CHCDRN C[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)c1ccccc1 ZINC000868497256 1124473888 /nfs/dbraw/zinc/47/38/88/1124473888.db2.gz UXWNMTLPUPEAJQ-UONOGXRCSA-N 0 0 298.386 3.556 20 10 CHCDRN CCCc1ccc(C(=O)N2Cc3cccc(O)c3C2)s1 ZINC000871198030 1124602595 /nfs/dbraw/zinc/60/25/95/1124602595.db2.gz FMEDVEXAXQQZLH-UHFFFAOYSA-N 0 0 287.384 3.562 20 10 CHCDRN CC(C)Nc1ccccc1NCC1CC(F)(F)C1 ZINC000871845810 1124644936 /nfs/dbraw/zinc/64/49/36/1124644936.db2.gz KGQLPBQXHNWKAM-UHFFFAOYSA-N 0 0 254.324 3.964 20 10 CHCDRN COc1cccc(F)c1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC001120366426 1131275084 /nfs/dbraw/zinc/27/50/84/1131275084.db2.gz UKRNYOLGORLIQY-SNVBAGLBSA-N 0 0 293.313 3.530 20 10 CHCDRN C[C@H](NC(=O)c1sccc1C1CC1)c1ccccc1O ZINC000827978312 1131277773 /nfs/dbraw/zinc/27/77/73/1131277773.db2.gz PDQGAZBGHPPVJB-JTQLQIEISA-N 0 0 287.384 3.822 20 10 CHCDRN CN(C)c1ccccc1CSc1nccs1 ZINC000123987449 1124697996 /nfs/dbraw/zinc/69/79/96/1124697996.db2.gz RDOBHGHHHVMCTH-UHFFFAOYSA-N 0 0 250.392 3.501 20 10 CHCDRN CCN(Cc1ccccc1O)Cc1ccnc(Cl)c1F ZINC001139665471 1131281129 /nfs/dbraw/zinc/28/11/29/1131281129.db2.gz RDSUEKPVKHISSQ-UHFFFAOYSA-N 0 0 294.757 3.602 20 10 CHCDRN Nc1ccc(NC(=O)CSc2ccccc2Cl)cc1 ZINC000019846268 1124752256 /nfs/dbraw/zinc/75/22/56/1124752256.db2.gz MLPNOYDWWOOKFA-UHFFFAOYSA-N 0 0 292.791 3.653 20 10 CHCDRN CSc1nc(Sc2nccs2)cc(C(F)F)n1 ZINC000820635872 1131295866 /nfs/dbraw/zinc/29/58/66/1131295866.db2.gz ZASUNLKTEXTKOG-UHFFFAOYSA-N 0 0 291.373 3.744 20 10 CHCDRN CC(C)Cn1ccc(-c2ccn(C(C)C)c2)cc1=O ZINC001239077874 1131300867 /nfs/dbraw/zinc/30/08/67/1131300867.db2.gz ACJWWEVSIJQYRA-UHFFFAOYSA-N 0 0 258.365 3.554 20 10 CHCDRN CN(C)c1ccc(/C=C/C(C)(C)O)c(C(F)(F)F)c1 ZINC001239156003 1131303008 /nfs/dbraw/zinc/30/30/08/1131303008.db2.gz OHMHEARBIMLUCQ-BQYQJAHWSA-N 0 0 273.298 3.556 20 10 CHCDRN Cc1ccccc1CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124642994 1124803608 /nfs/dbraw/zinc/80/36/08/1124803608.db2.gz ZELDTMGCPHNOCC-UHFFFAOYSA-N 0 0 275.779 3.686 20 10 CHCDRN COc1ccc(O)c(CNc2cccc(Cl)c2)c1 ZINC000020089928 1124804829 /nfs/dbraw/zinc/80/48/29/1124804829.db2.gz GRMXCNUOCUKHTM-UHFFFAOYSA-N 0 0 263.724 3.666 20 10 CHCDRN CC(C)=C(C)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000874002221 1124814654 /nfs/dbraw/zinc/81/46/54/1124814654.db2.gz WEGLUJFNWGTFIS-UHFFFAOYSA-N 0 0 286.419 3.649 20 10 CHCDRN C[C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])C(C)(C)C ZINC000124824490 1124817213 /nfs/dbraw/zinc/81/72/13/1124817213.db2.gz NZJDIRVPBHTWTD-JTQLQIEISA-N 0 0 255.789 3.817 20 10 CHCDRN CC(C)c1cccc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000020475553 1124842168 /nfs/dbraw/zinc/84/21/68/1124842168.db2.gz RRZGBOQWZPWZLW-UHFFFAOYSA-N 0 0 268.360 3.573 20 10 CHCDRN Cc1cc(C)c(C(=O)N(C)Cc2ccccc2O)c(C)c1 ZINC000125214941 1124870998 /nfs/dbraw/zinc/87/09/98/1124870998.db2.gz DKQIHCFIAHKJCV-UHFFFAOYSA-N 0 0 283.371 3.590 20 10 CHCDRN CCCCN(C(=O)/C=C/c1cnccc1C)c1ccccn1 ZINC000876081505 1124923400 /nfs/dbraw/zinc/92/34/00/1124923400.db2.gz FDLUMIGELSNSQW-CMDGGOBGSA-N 0 0 295.386 3.632 20 10 CHCDRN CCCCN(C(=O)/C=C/c1cncc(C)c1)c1ccccn1 ZINC000876084440 1124923548 /nfs/dbraw/zinc/92/35/48/1124923548.db2.gz OWIPUEUKTVIRAH-CMDGGOBGSA-N 0 0 295.386 3.632 20 10 CHCDRN CCC[C@H](C)[C@H]1CCCN1C(=O)Nc1ccc(N)cc1 ZINC000841298918 1124948386 /nfs/dbraw/zinc/94/83/86/1124948386.db2.gz UJGJRUZFUNBSLR-SWLSCSKDSA-N 0 0 275.396 3.701 20 10 CHCDRN CCOCCCSc1ncc(-c2ccccc2)n1C ZINC000126155093 1124977247 /nfs/dbraw/zinc/97/72/47/1124977247.db2.gz YKXXLAGITSIDTK-UHFFFAOYSA-N 0 0 276.405 3.606 20 10 CHCDRN CC(C)=CC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000876914007 1124990159 /nfs/dbraw/zinc/99/01/59/1124990159.db2.gz NBKPTDIDWSFVFR-UHFFFAOYSA-N 0 0 296.414 3.719 20 10 CHCDRN CC[C@@H](C)c1cccc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000876992514 1124995138 /nfs/dbraw/zinc/99/51/38/1124995138.db2.gz DXVOTWVJKWABEG-CYBMUJFWSA-N 0 0 282.387 3.964 20 10 CHCDRN CC(C)([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc(F)cc1 ZINC000877007185 1124997171 /nfs/dbraw/zinc/99/71/71/1124997171.db2.gz GDGIXXMTESJVID-UHFFFAOYSA-N 0 0 295.304 3.834 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1nc(C)cs1 ZINC000877025255 1124999359 /nfs/dbraw/zinc/99/93/59/1124999359.db2.gz DXVBIROLZJNBLJ-LLVKDONJSA-N 0 0 298.358 3.676 20 10 CHCDRN CN(C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12)c1ccc(N)cc1 ZINC000877075495 1125005406 /nfs/dbraw/zinc/00/54/06/1125005406.db2.gz DSCYWBHNFINHSL-RRQGHBQHSA-N 0 0 286.419 3.838 20 10 CHCDRN CCc1ccc([C@@H](C)CC(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877078514 1125006240 /nfs/dbraw/zinc/00/62/40/1125006240.db2.gz SFOHPIPOWPDKLH-AWEZNQCLSA-N 0 0 296.414 3.988 20 10 CHCDRN C[C@H](CCCc1ccccc1)C(=O)N(C)c1ccc(N)cc1 ZINC000877076906 1125006754 /nfs/dbraw/zinc/00/67/54/1125006754.db2.gz WSTXIIOZFGAITL-OAHLLOKOSA-N 0 0 296.414 3.891 20 10 CHCDRN C[C@@H](CCC(=O)N(C)c1ccc(N)cc1)c1ccccc1 ZINC000877075975 1125006962 /nfs/dbraw/zinc/00/69/62/1125006962.db2.gz KNZOEAXPSQEBJQ-AWEZNQCLSA-N 0 0 282.387 3.816 20 10 CHCDRN CC[C@H](CC1CCCC1)C(=O)N(C)c1ccc(N)cc1 ZINC000877078612 1125007010 /nfs/dbraw/zinc/00/70/10/1125007010.db2.gz WRJPMABDSXWBDJ-CQSZACIVSA-N 0 0 274.408 3.838 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1c(C)noc1C ZINC000877119947 1125011466 /nfs/dbraw/zinc/01/14/66/1125011466.db2.gz MBMBTFSETUGCMN-GFCCVEGCSA-N 0 0 296.317 3.516 20 10 CHCDRN Cc1cc(O)c(CN[C@H](C2CC2)C(F)(F)F)cc1Cl ZINC000825939648 1125016573 /nfs/dbraw/zinc/01/65/73/1125016573.db2.gz FIFKPKJQSFDNPJ-GFCCVEGCSA-N 0 0 293.716 3.785 20 10 CHCDRN CC[C@H](C)n1ncc(NCc2c(C)cccc2O)c1C ZINC000877474512 1125030614 /nfs/dbraw/zinc/03/06/14/1125030614.db2.gz YCOUGNKRIRXYAD-LBPRGKRZSA-N 0 0 273.380 3.789 20 10 CHCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCC2CCCC2)c1 ZINC000728985641 1125035472 /nfs/dbraw/zinc/03/54/72/1125035472.db2.gz ZNBJBNBWXZIVLO-GFCCVEGCSA-N 0 0 291.391 3.548 20 10 CHCDRN Cc1cccc(O)c1CNc1cc(C2CC2)ccn1 ZINC000877540997 1125041946 /nfs/dbraw/zinc/04/19/46/1125041946.db2.gz JOVCRAYWOMFVHO-UHFFFAOYSA-N 0 0 254.333 3.585 20 10 CHCDRN CCc1nocc1C[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000826016877 1125120700 /nfs/dbraw/zinc/12/07/00/1125120700.db2.gz MTRIUBDDFOYEIX-UHFFFAOYSA-N 0 0 294.782 3.536 20 10 CHCDRN COc1ccc(N(Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000127220948 1125163876 /nfs/dbraw/zinc/16/38/76/1125163876.db2.gz VUJMBGPUSJFSEI-UHFFFAOYSA-N 0 0 293.370 3.625 20 10 CHCDRN C[C@@H](NC(=O)CC(C)(C)CC(F)F)c1ccccc1O ZINC000881440662 1125310627 /nfs/dbraw/zinc/31/06/27/1125310627.db2.gz KPLJZQAVAFNYNC-SNVBAGLBSA-N 0 0 285.334 3.641 20 10 CHCDRN CCN(C(=O)/C=C\c1cnccc1C)c1ccc(F)cc1 ZINC000783774456 1125346409 /nfs/dbraw/zinc/34/64/09/1125346409.db2.gz WCDMBKDMDWWXDA-WTKPLQERSA-N 0 0 284.334 3.595 20 10 CHCDRN COc1cccc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000882905702 1125361529 /nfs/dbraw/zinc/36/15/29/1125361529.db2.gz QBKVTDTYPUMWQW-JTQLQIEISA-N 0 0 293.313 3.530 20 10 CHCDRN Cc1cccc2c1CC[C@H]2[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882987145 1125365279 /nfs/dbraw/zinc/36/52/79/1125365279.db2.gz UJQAUCYEZJQBCN-MRXNPFEDSA-N 0 0 289.325 3.756 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000882988458 1125366139 /nfs/dbraw/zinc/36/61/39/1125366139.db2.gz QPNHMVDLCVQHLI-OAHLLOKOSA-N 0 0 293.288 3.587 20 10 CHCDRN CC[C@H](C)n1ncc(NCc2cc(F)cc(F)c2O)c1C ZINC000883102356 1125372265 /nfs/dbraw/zinc/37/22/65/1125372265.db2.gz NPMZATGSTNXNCD-VIFPVBQESA-N 0 0 295.333 3.758 20 10 CHCDRN C[C@H]([NH2+]CC1(C)CC(F)(F)C1)c1cc(F)cc(F)c1[O-] ZINC000883256447 1125385827 /nfs/dbraw/zinc/38/58/27/1125385827.db2.gz XXQVJVRUOARZJB-QMMMGPOBSA-N 0 0 291.288 3.756 20 10 CHCDRN CCN(Cc1cccc(OC)c1O)c1ccccc1C ZINC000131651227 1125404191 /nfs/dbraw/zinc/40/41/91/1125404191.db2.gz PLANEDQPSWOPLL-UHFFFAOYSA-N 0 0 271.360 3.736 20 10 CHCDRN CSc1ccccc1N(C)C(=O)/C=C/c1cncc(C)c1 ZINC000132337510 1125416791 /nfs/dbraw/zinc/41/67/91/1125416791.db2.gz CQKNKDSEOYZXLU-CMDGGOBGSA-N 0 0 298.411 3.788 20 10 CHCDRN CC1CCC(C)(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC001124552091 1131354681 /nfs/dbraw/zinc/35/46/81/1131354681.db2.gz BFBGXHLHDRUBBY-UHFFFAOYSA-N 0 0 288.435 3.585 20 10 CHCDRN Cc1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1F ZINC001204002951 1125439143 /nfs/dbraw/zinc/43/91/43/1125439143.db2.gz YVLUDIQMYYBBLO-UHFFFAOYSA-N 0 0 279.742 3.783 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)CC1CCC1 ZINC000282612659 1129273492 /nfs/dbraw/zinc/27/34/92/1129273492.db2.gz YYCVMEGGUUAXPC-UHFFFAOYSA-N 0 0 275.392 3.711 20 10 CHCDRN Cc1ccc2oc(N(C)Cc3ccc(N(C)C)cc3)nc2c1 ZINC000734141003 1129297501 /nfs/dbraw/zinc/29/75/01/1129297501.db2.gz AHGBXYODFNYSGH-UHFFFAOYSA-N 0 0 295.386 3.839 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)C(C)(C)C)cc1 ZINC000734388769 1129307414 /nfs/dbraw/zinc/30/74/14/1129307414.db2.gz ACGZKDIEVQSJIW-AWEZNQCLSA-N 0 0 290.451 3.831 20 10 CHCDRN CCCC[C@@H](CC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000734405232 1129308340 /nfs/dbraw/zinc/30/83/40/1129308340.db2.gz ABWCDSGDWNUSEV-OAHLLOKOSA-N 0 0 290.451 3.894 20 10 CHCDRN CCCC[C@H](CC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000734405227 1129308357 /nfs/dbraw/zinc/30/83/57/1129308357.db2.gz ABWCDSGDWNUSEV-HNNXBMFYSA-N 0 0 290.451 3.894 20 10 CHCDRN COCCN1CCCc2cc(OCc3ccccc3)ccc21 ZINC000734485122 1129309720 /nfs/dbraw/zinc/30/97/20/1129309720.db2.gz AUMLRFNSKIVREY-UHFFFAOYSA-N 0 0 297.398 3.665 20 10 CHCDRN COCCCCCN1CCCc2cc(OC(F)F)ccc21 ZINC000735078676 1129330686 /nfs/dbraw/zinc/33/06/86/1129330686.db2.gz QWZQDQYWRLKVBG-UHFFFAOYSA-N 0 0 299.361 3.857 20 10 CHCDRN COCCCCCN(c1ccc(OC)c(F)c1)C(C)C ZINC000735078725 1129331047 /nfs/dbraw/zinc/33/10/47/1129331047.db2.gz SUYTVHOGPOWYSA-UHFFFAOYSA-N 0 0 283.387 3.866 20 10 CHCDRN COC(C)(C)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000720233950 1129364730 /nfs/dbraw/zinc/36/47/30/1129364730.db2.gz NXGGJQARRCGRLM-MRVPVSSYSA-N 0 0 292.206 3.602 20 10 CHCDRN Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000092326840 1129386495 /nfs/dbraw/zinc/38/64/95/1129386495.db2.gz WAYLTOBKRAOHPK-IUCAKERBSA-N 0 0 278.327 3.548 20 10 CHCDRN C[C@@H]1CCC[C@@]1(C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000822265287 1131372397 /nfs/dbraw/zinc/37/23/97/1131372397.db2.gz MGJHCRTWQGNNCX-RDTXWAMCSA-N 0 0 288.435 3.537 20 10 CHCDRN CCOc1ccc(N(C)Cc2cccc(F)c2)cc1 ZINC000739926182 1129410051 /nfs/dbraw/zinc/41/00/51/1129410051.db2.gz AKTZYFAAFSXROO-UHFFFAOYSA-N 0 0 259.324 3.861 20 10 CHCDRN COc1cccc(N[C@@H](C)c2cc(F)ccc2O)c1 ZINC000094616773 1129448224 /nfs/dbraw/zinc/44/82/24/1129448224.db2.gz RXOFMPBDVUXIEU-JTQLQIEISA-N 0 0 261.296 3.713 20 10 CHCDRN Cc1cc(F)c(CN(C)Cc2ccccc2O)c(F)c1 ZINC000822443473 1131377888 /nfs/dbraw/zinc/37/78/88/1131377888.db2.gz UWHCAKJEKOQNBE-UHFFFAOYSA-N 0 0 277.314 3.611 20 10 CHCDRN CC(C)[C@@H](NC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000743584347 1129530498 /nfs/dbraw/zinc/53/04/98/1129530498.db2.gz QRRPMHMUQAAWDY-CQSZACIVSA-N 0 0 275.373 3.581 20 10 CHCDRN CCOc1ccc(Cl)c(Nc2cccc(O)c2O)c1 ZINC001212576246 1129639056 /nfs/dbraw/zinc/63/90/56/1129639056.db2.gz FOTCGHVJCRAMBJ-UHFFFAOYSA-N 0 0 279.723 3.894 20 10 CHCDRN COc1ccccc1-c1cc(COc2ccc(N)cc2)on1 ZINC000746477279 1129670009 /nfs/dbraw/zinc/67/00/09/1129670009.db2.gz FXNIEJBIXXDDHS-UHFFFAOYSA-N 0 0 296.326 3.511 20 10 CHCDRN C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000720911723 1129720225 /nfs/dbraw/zinc/72/02/25/1129720225.db2.gz LNIAQJQYOUNYPJ-SECBINFHSA-N 0 0 273.298 3.617 20 10 CHCDRN CCCC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000062577223 1129730020 /nfs/dbraw/zinc/73/00/20/1129730020.db2.gz FWJFHFIFRGBZAA-UHFFFAOYSA-N 0 0 270.376 3.510 20 10 CHCDRN COc1ccc(N(CCC(C)C)Cc2ccno2)cc1 ZINC000796505267 1129764326 /nfs/dbraw/zinc/76/43/26/1129764326.db2.gz RUQANXAJEHZKSB-UHFFFAOYSA-N 0 0 274.364 3.736 20 10 CHCDRN CC(C)(C(=O)NCc1ccccc1O)C1CCCCC1 ZINC000767086990 1129777381 /nfs/dbraw/zinc/77/73/81/1129777381.db2.gz CSYHSGMSYWWUGO-UHFFFAOYSA-N 0 0 275.392 3.615 20 10 CHCDRN CCOc1ccc(CNc2ccc(COC)cc2)c(O)c1 ZINC000767738842 1129810537 /nfs/dbraw/zinc/81/05/37/1129810537.db2.gz MKHNFEKJSHDACY-UHFFFAOYSA-N 0 0 287.359 3.549 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC2CCCC2)cc1 ZINC000015593138 1129837295 /nfs/dbraw/zinc/83/72/95/1129837295.db2.gz XMRLNBXFNBACKL-UHFFFAOYSA-N 0 0 282.387 3.767 20 10 CHCDRN Oc1ccc(CNc2cc(-c3cccs3)ccn2)cc1O ZINC001169990323 1129847362 /nfs/dbraw/zinc/84/73/62/1129847362.db2.gz FMFOZUSEIBSKBY-UHFFFAOYSA-N 0 0 298.367 3.833 20 10 CHCDRN CC[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCCC1 ZINC000768334349 1129850639 /nfs/dbraw/zinc/85/06/39/1129850639.db2.gz FVBNUJGBLPSBDM-UHFFFAOYSA-N 0 0 298.770 3.718 20 10 CHCDRN COc1cccc(O)c1C[N@H+](Cc1cccs1)C(C)C ZINC000768334081 1129850654 /nfs/dbraw/zinc/85/06/54/1129850654.db2.gz LFQNZHYXFDVOFE-UHFFFAOYSA-N 0 0 291.416 3.873 20 10 CHCDRN COc1cc(CN(CC(F)F)CC2CCC2)c(O)cc1C ZINC000768464629 1129858739 /nfs/dbraw/zinc/85/87/39/1129858739.db2.gz DLPOSBSNDZJEFE-UHFFFAOYSA-N 0 0 299.361 3.576 20 10 CHCDRN CCC(CC)C[N@H+](CC)Cc1c(O)cccc1OC ZINC000768507948 1129859529 /nfs/dbraw/zinc/85/95/29/1129859529.db2.gz XVVQESGCLQBQJV-UHFFFAOYSA-N 0 0 265.397 3.659 20 10 CHCDRN Oc1ccc(CNc2ccc(CC(F)(F)F)cc2)cc1O ZINC001169993424 1129860055 /nfs/dbraw/zinc/86/00/55/1129860055.db2.gz WDEBDTCEEDJCIZ-UHFFFAOYSA-N 0 0 297.276 3.815 20 10 CHCDRN CCCC[C@@H](C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000800322401 1129866968 /nfs/dbraw/zinc/86/69/68/1129866968.db2.gz AMXNMBAWBXLQMP-OAHLLOKOSA-N 0 0 288.435 3.729 20 10 CHCDRN CCCOc1ccc(C)c(NCc2ccc(O)c(O)c2)c1 ZINC001169996665 1129876421 /nfs/dbraw/zinc/87/64/21/1129876421.db2.gz FYZGYNVWNKKQIY-UHFFFAOYSA-N 0 0 287.359 3.807 20 10 CHCDRN COc1cc(NCc2ccc(O)c(O)c2)cc(C(C)C)c1 ZINC001169997034 1129876993 /nfs/dbraw/zinc/87/69/93/1129876993.db2.gz MHVVADMFBWXZNO-UHFFFAOYSA-N 0 0 287.359 3.842 20 10 CHCDRN Fc1cc(/C=C/c2ccccc2)ccc1N1CCOCC1 ZINC001239592675 1131404126 /nfs/dbraw/zinc/40/41/26/1131404126.db2.gz ADEXROBFJZMOCC-VOTSOKGWSA-N 0 0 283.346 3.833 20 10 CHCDRN CCN(C)c1ccc([C@H](C)NC2(C(F)F)CC2)cc1 ZINC000800501971 1129881561 /nfs/dbraw/zinc/88/15/61/1129881561.db2.gz IRRFMEJWRNGINF-NSHDSACASA-N 0 0 268.351 3.591 20 10 CHCDRN CCCC[C@@H](C)C(=O)N(CCC)Cc1ccccc1O ZINC000800513866 1129881634 /nfs/dbraw/zinc/88/16/34/1129881634.db2.gz AFTYFXRRXUERAJ-CQSZACIVSA-N 0 0 277.408 3.957 20 10 CHCDRN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000769330494 1129903100 /nfs/dbraw/zinc/90/31/00/1129903100.db2.gz OMBOYXQTSSDAJI-CYBMUJFWSA-N 0 0 296.208 3.529 20 10 CHCDRN C[C@H](CCC1CC1)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000769416837 1129907508 /nfs/dbraw/zinc/90/75/08/1129907508.db2.gz JRWUUVQKIJRIEK-MNOVXSKESA-N 0 0 278.352 3.530 20 10 CHCDRN Cc1cccc(F)c1NNC(=S)Nc1ccc(F)cc1 ZINC000769764107 1129922383 /nfs/dbraw/zinc/92/23/83/1129922383.db2.gz TULQULVGMGFLQC-UHFFFAOYSA-N 0 0 293.342 3.587 20 10 CHCDRN C/C=C/C=C\C(=O)N(CCCC)Cc1ccccc1O ZINC000801548246 1129926328 /nfs/dbraw/zinc/92/63/28/1129926328.db2.gz QHHKROBKRBYGRT-FMVMLBDOSA-N 0 0 273.376 3.653 20 10 CHCDRN CCCCN(Cc1ccccc1O)CC(F)(F)C(F)F ZINC000801595854 1129931613 /nfs/dbraw/zinc/93/16/13/1129931613.db2.gz LFCLTHOKIQLHCL-UHFFFAOYSA-N 0 0 293.304 3.895 20 10 CHCDRN COc1ccc(O)c([C@H](C)Nc2cccc(OC)c2F)c1 ZINC000769983540 1129934925 /nfs/dbraw/zinc/93/49/25/1129934925.db2.gz CNZPSBPGBDLMEG-JTQLQIEISA-N 0 0 291.322 3.722 20 10 CHCDRN Cc1ccc(O)c(CN(CC(F)F)CC2CCC2)c1 ZINC000770289023 1129943416 /nfs/dbraw/zinc/94/34/16/1129943416.db2.gz ATLXGCWEARNWTG-UHFFFAOYSA-N 0 0 269.335 3.568 20 10 CHCDRN C[N@H+](CCC1CC1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000770375479 1129945306 /nfs/dbraw/zinc/94/53/06/1129945306.db2.gz RPMYXROWWVNQBL-UHFFFAOYSA-N 0 0 274.191 3.931 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)c1cc(C(C)C)ncn1 ZINC000770472077 1129948935 /nfs/dbraw/zinc/94/89/35/1129948935.db2.gz FFLLAOXLMGXHCO-UHFFFAOYSA-N 0 0 298.434 3.693 20 10 CHCDRN C[C@@]1(CSc2nccs2)CC1(Cl)Cl ZINC000829100470 1131411272 /nfs/dbraw/zinc/41/12/72/1131411272.db2.gz UDWSJGXUDBODOW-ZETCQYMHSA-N 0 0 254.207 3.819 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)CC(C)(C)C ZINC000772064094 1130004401 /nfs/dbraw/zinc/00/44/01/1130004401.db2.gz JJVGSJMAQFYLDX-CQSZACIVSA-N 0 0 290.451 3.750 20 10 CHCDRN Cc1cncc(/C=C\C(=O)N2C[C@@H](C)Cc3ccccc32)c1 ZINC000772107074 1130005215 /nfs/dbraw/zinc/00/52/15/1130005215.db2.gz QLOGWESRJFGXAQ-LZNQSLFOSA-N 0 0 292.382 3.629 20 10 CHCDRN CC[C@H](C)CCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000802785322 1130039008 /nfs/dbraw/zinc/03/90/08/1130039008.db2.gz OXPXLLZBFWMRSL-ZDUSSCGKSA-N 0 0 289.419 3.714 20 10 CHCDRN COCCSCCCN(C)c1ccc(OC(C)C)cc1 ZINC000785830319 1130056981 /nfs/dbraw/zinc/05/69/81/1130056981.db2.gz GAZDVEWGYXMRSO-UHFFFAOYSA-N 0 0 297.464 3.680 20 10 CHCDRN CC(C)c1[nH]ccc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000803119849 1130101234 /nfs/dbraw/zinc/10/12/34/1130101234.db2.gz AOIFFRMAXABQSH-CYBMUJFWSA-N 0 0 299.418 3.695 20 10 CHCDRN COc1cccc2c1ncc(C)c2NCc1ccccc1O ZINC000786780644 1130117444 /nfs/dbraw/zinc/11/74/44/1130117444.db2.gz GAVXCHWPOPWSLW-UHFFFAOYSA-N 0 0 294.354 3.870 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(-c2cccc(C(N)=O)c2)cc1 ZINC001239884502 1130145996 /nfs/dbraw/zinc/14/59/96/1130145996.db2.gz XWZYXBAEMNGXBW-UHFFFAOYSA-N 0 0 290.366 3.860 20 10 CHCDRN C[C@@H](NCc1nc(C(C)(C)C)co1)c1c(O)cccc1F ZINC000903313221 1130151577 /nfs/dbraw/zinc/15/15/77/1130151577.db2.gz KZNMUDCWVHLKCB-SNVBAGLBSA-N 0 0 292.354 3.668 20 10 CHCDRN C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)c1cc(F)cc(F)c1[O-] ZINC000903315653 1130152610 /nfs/dbraw/zinc/15/26/10/1130152610.db2.gz FZGRZAFMRZVMNH-HFAYUQKSSA-N 0 0 267.319 3.510 20 10 CHCDRN CC[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1cccc(Cl)c1[O-] ZINC000903437957 1130176998 /nfs/dbraw/zinc/17/69/98/1130176998.db2.gz RLINPXKDSQFAPN-SNPRPXQTSA-N 0 0 295.810 3.511 20 10 CHCDRN Cc1cc(O)c(CNc2ccc(Cl)nc2C)cc1C ZINC000788404931 1130185929 /nfs/dbraw/zinc/18/59/29/1130185929.db2.gz XYLSAWUTTXGZKB-UHFFFAOYSA-N 0 0 276.767 3.978 20 10 CHCDRN CC(C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788497152 1130189832 /nfs/dbraw/zinc/18/98/32/1130189832.db2.gz FGLFWTPYYFSQAG-VIFPVBQESA-N 0 0 261.287 3.718 20 10 CHCDRN CC(C)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000788497151 1130190409 /nfs/dbraw/zinc/19/04/09/1130190409.db2.gz FGLFWTPYYFSQAG-SECBINFHSA-N 0 0 261.287 3.718 20 10 CHCDRN CCN(C(=O)/C=C\c1cccnc1)c1ccc2[nH]ccc2c1 ZINC000788550623 1130194463 /nfs/dbraw/zinc/19/44/63/1130194463.db2.gz KPCWVRUEFRLFFE-YVMONPNESA-N 0 0 291.354 3.629 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cccc(C(F)(F)F)c1[O-] ZINC000788646143 1130196944 /nfs/dbraw/zinc/19/69/44/1130196944.db2.gz BHGBHQMTXXLGKU-KXUCPTDWSA-N 0 0 273.298 3.718 20 10 CHCDRN Cc1cc(C)c([C@@H](C)Nc2ccc(C)nc2)c(O)c1 ZINC000788706954 1130203402 /nfs/dbraw/zinc/20/34/02/1130203402.db2.gz WMFKNDQMCQCDAE-CYBMUJFWSA-N 0 0 256.349 3.886 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCSC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788806988 1130210726 /nfs/dbraw/zinc/21/07/26/1130210726.db2.gz RAIDYMSIHLKDRC-BDAKNGLRSA-N 0 0 291.338 3.567 20 10 CHCDRN Oc1ccccc1CNc1ncnc2c3ccccc3oc21 ZINC000748308005 1130229061 /nfs/dbraw/zinc/22/90/61/1130229061.db2.gz QZQZQMAUPJFGIV-UHFFFAOYSA-N 0 0 291.310 3.694 20 10 CHCDRN Cc1c2cccc(C)c2oc1C(=O)NCc1ccccc1O ZINC000748346595 1130229816 /nfs/dbraw/zinc/22/98/16/1130229816.db2.gz OVDWMDCMFIZBBN-UHFFFAOYSA-N 0 0 295.338 3.685 20 10 CHCDRN Cc1ccc(CCCCC(=O)NCc2ccccc2O)cc1 ZINC000748345921 1130230393 /nfs/dbraw/zinc/23/03/93/1130230393.db2.gz GZKCFPKTLRVMJE-UHFFFAOYSA-N 0 0 297.398 3.730 20 10 CHCDRN Cc1c(Cl)cccc1NC(=O)NCc1ccccc1O ZINC000748438260 1130232377 /nfs/dbraw/zinc/23/23/77/1130232377.db2.gz GBMSWNGFIJQWRN-UHFFFAOYSA-N 0 0 290.750 3.676 20 10 CHCDRN CCN1C(=O)/C(=C\c2ccsc2Cl)SC1=S ZINC000790097706 1130289554 /nfs/dbraw/zinc/28/95/54/1130289554.db2.gz YABVTCCLYXYIAD-FNORWQNLSA-N 0 0 289.834 3.623 20 10 CHCDRN CCCCCN(CCCCC)C(=O)c1cccc(O)c1O ZINC000790539291 1130316797 /nfs/dbraw/zinc/31/67/97/1130316797.db2.gz PHJKABSHVJYZOV-UHFFFAOYSA-N 0 0 293.407 3.920 20 10 CHCDRN CC[C@H](C)CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000790522664 1130318001 /nfs/dbraw/zinc/31/80/01/1130318001.db2.gz DIXQLSMPNJBKFI-HNNXBMFYSA-N 0 0 288.435 3.729 20 10 CHCDRN COc1cc(NCc2c(O)ccc(Cl)c2F)ccc1F ZINC000790992991 1130341347 /nfs/dbraw/zinc/34/13/47/1130341347.db2.gz SBINVOJHWCGSSE-UHFFFAOYSA-N 0 0 299.704 3.945 20 10 CHCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CC1(C2CC2)CCC1 ZINC000790983307 1130346044 /nfs/dbraw/zinc/34/60/44/1130346044.db2.gz QHUQTKYPCBWRSQ-UHFFFAOYSA-N 0 0 283.774 3.855 20 10 CHCDRN COc1ccc(F)cc1NCc1c(O)ccc(Cl)c1F ZINC000790982652 1130346264 /nfs/dbraw/zinc/34/62/64/1130346264.db2.gz WJQKGMQRTLDUOR-UHFFFAOYSA-N 0 0 299.704 3.945 20 10 CHCDRN COc1ncc(-c2ccc3ccn(C)c3c2)c2cc[nH]c21 ZINC001240574050 1130366746 /nfs/dbraw/zinc/36/67/46/1130366746.db2.gz QGTYIVYZBYGGQQ-UHFFFAOYSA-N 0 0 277.327 3.730 20 10 CHCDRN Cn1ccc2ccc(-c3nccnc3OC3CCC3)cc21 ZINC001240571873 1130366903 /nfs/dbraw/zinc/36/69/03/1130366903.db2.gz NDSJUYSWUOPATN-UHFFFAOYSA-N 0 0 279.343 3.567 20 10 CHCDRN Cn1ccc2ccc(-c3cncc4cccnc43)cc21 ZINC001240574548 1130368193 /nfs/dbraw/zinc/36/81/93/1130368193.db2.gz QLTFLQWMLBXARA-UHFFFAOYSA-N 0 0 259.312 3.789 20 10 CHCDRN Cn1ccc2ccc(-c3cccc4c3N(C)C(=O)NC4)cc21 ZINC001240575933 1130368945 /nfs/dbraw/zinc/36/89/45/1130368945.db2.gz KKKOSUZUTXGFQS-UHFFFAOYSA-N 0 0 291.354 3.505 20 10 CHCDRN COc1ncc(C)cc1-c1ccc2ccn(C)c2c1 ZINC001240575329 1130369292 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CC[C@H]1CCCC[C@@H]1Oc1cc(O)c(O)cc1C(C)=O ZINC001234474610 1130647363 /nfs/dbraw/zinc/64/73/63/1130647363.db2.gz UTBRTBNMXBQHPF-NHYWBVRUSA-N 0 0 278.348 3.648 20 10 CHCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)c1cccc(F)c1 ZINC001234474268 1130647372 /nfs/dbraw/zinc/64/73/72/1130647372.db2.gz QIMDYJNKHPDETF-JTQLQIEISA-N 0 0 290.290 3.580 20 10 CHCDRN CC(=O)c1cc(O)c(O)cc1O[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001234473971 1130647929 /nfs/dbraw/zinc/64/79/29/1130647929.db2.gz MGDCWSDAEUOYPC-PWSUYJOCSA-N 0 0 292.375 3.894 20 10 CHCDRN COc1ccc2ccc(O)c(CN(C)CC(F)(F)F)c2c1 ZINC001234518149 1130653285 /nfs/dbraw/zinc/65/32/85/1130653285.db2.gz FRFRQMALIVPHNH-UHFFFAOYSA-N 0 0 299.292 3.548 20 10 CHCDRN CC(C)(C)OC(=O)CSc1ncc(C(C)(C)C)s1 ZINC000759714831 1130671899 /nfs/dbraw/zinc/67/18/99/1130671899.db2.gz WFCFYMPLJIGAIV-UHFFFAOYSA-N 0 0 287.450 3.874 20 10 CHCDRN COc1cccc(CN2CCc3ccc(Cl)cc32)c1O ZINC000780772496 1130690673 /nfs/dbraw/zinc/69/06/73/1130690673.db2.gz BNQCAGJTIICQRO-UHFFFAOYSA-N 0 0 289.762 3.617 20 10 CHCDRN COc1ccc(N(C)Cc2cccc(Cl)c2O)cc1F ZINC000780779774 1130691384 /nfs/dbraw/zinc/69/13/84/1130691384.db2.gz XOLJETORWREWPF-UHFFFAOYSA-N 0 0 295.741 3.830 20 10 CHCDRN CCOc1ccc(N(C)Cc2cnn(C(C)(C)C)c2)cc1 ZINC000780775515 1130691939 /nfs/dbraw/zinc/69/19/39/1130691939.db2.gz VWFICUWHKMGDCL-UHFFFAOYSA-N 0 0 287.407 3.673 20 10 CHCDRN C[C@H](NC(=O)Cc1cccc(C2CC2)c1)c1ccccc1O ZINC000827960130 1130695378 /nfs/dbraw/zinc/69/53/78/1130695378.db2.gz JSJFQHHSAXIRGJ-ZDUSSCGKSA-N 0 0 295.382 3.690 20 10 CHCDRN Oc1c(CN2CC(F)(F)C2)cccc1-c1ccccc1 ZINC001234990623 1130699921 /nfs/dbraw/zinc/69/99/21/1130699921.db2.gz IRAFYIGKTBZEMZ-UHFFFAOYSA-N 0 0 275.298 3.510 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCCCF)cc1 ZINC000812613079 1130703558 /nfs/dbraw/zinc/70/35/58/1130703558.db2.gz WZIJAGTVYYOSPV-UHFFFAOYSA-N 0 0 288.366 3.574 20 10 CHCDRN Oc1c(CN2C[C@@H](F)[C@H](F)C2)cccc1-c1ccccc1 ZINC001235003072 1130703655 /nfs/dbraw/zinc/70/36/55/1130703655.db2.gz SLZRWSXKVAODBA-HZPDHXFCSA-N 0 0 289.325 3.551 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)c1cccc(Cl)c1[O-] ZINC000812735089 1130709889 /nfs/dbraw/zinc/70/98/89/1130709889.db2.gz WOQUXXISFCEMTF-GDBMZVCRSA-N 0 0 297.826 3.901 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H]2C(C)C)c1 ZINC000781924247 1130749077 /nfs/dbraw/zinc/74/90/77/1130749077.db2.gz OMJIYXSJDKIEHK-CYBMUJFWSA-N 0 0 298.224 3.693 20 10 CHCDRN COc1ccc(N(Cc2cccs2)C[C@H](C)OC)cc1 ZINC000782481156 1130779487 /nfs/dbraw/zinc/77/94/87/1130779487.db2.gz GDZTXHXJWDDLKE-ZDUSSCGKSA-N 0 0 291.416 3.798 20 10 CHCDRN COc1cc(N[C@@H](C)c2cc(F)cc(F)c2O)ccc1F ZINC000783306707 1130814078 /nfs/dbraw/zinc/81/40/78/1130814078.db2.gz LFSFCEMKBLXYOH-QMMMGPOBSA-N 0 0 297.276 3.991 20 10 CHCDRN C[C@@H](NCc1c(F)c(F)cc(F)c1F)c1ccccc1O ZINC000783520241 1130834290 /nfs/dbraw/zinc/83/42/90/1130834290.db2.gz WJNCJQZWQRWFEI-MRVPVSSYSA-N 0 0 299.267 3.799 20 10 CHCDRN CSc1ccc(N[C@@H](C)c2ccccc2O)nc1 ZINC000783524686 1130834370 /nfs/dbraw/zinc/83/43/70/1130834370.db2.gz QJLWZDHBGBRADU-JTQLQIEISA-N 0 0 260.362 3.682 20 10 CHCDRN C[C@H](NC(=O)C(C)(C)Cc1ccccc1)c1ccccc1O ZINC000827978414 1130858189 /nfs/dbraw/zinc/85/81/89/1130858189.db2.gz SBSMQQULTURNTO-AWEZNQCLSA-N 0 0 297.398 3.838 20 10 CHCDRN Cc1ccc(C)c(N(C)C(=O)/C=C/c2cnccc2C)c1 ZINC000783919712 1130863344 /nfs/dbraw/zinc/86/33/44/1130863344.db2.gz JZKOUYVHEQPYSY-BQYQJAHWSA-N 0 0 280.371 3.683 20 10 CHCDRN Brc1cc(CSc2nccs2)ccn1 ZINC000814744641 1130906944 /nfs/dbraw/zinc/90/69/44/1130906944.db2.gz XTJAXFXUJAUREG-UHFFFAOYSA-N 0 0 287.207 3.593 20 10 CHCDRN CC[C@@H]([NH2+]CC1(C)CCC1)c1ccc(F)cc1[O-] ZINC000796828568 1130937378 /nfs/dbraw/zinc/93/73/78/1130937378.db2.gz WFSUTRRUKJWYGQ-CYBMUJFWSA-N 0 0 251.345 3.762 20 10 CHCDRN CCCn1cc(N[C@H](CC)c2ccc(F)cc2O)cn1 ZINC000796888439 1130942364 /nfs/dbraw/zinc/94/23/64/1130942364.db2.gz ICXORUXKIOYIAW-CQSZACIVSA-N 0 0 277.343 3.701 20 10 CHCDRN CC[C@@H]([NH2+]CCC(O)(CC)CC)c1ccc(F)cc1[O-] ZINC000796962146 1130949177 /nfs/dbraw/zinc/94/91/77/1130949177.db2.gz RKLIMOUWIZAPDG-CQSZACIVSA-N 0 0 283.387 3.513 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)c1csc(C)c1 ZINC000797193807 1130969009 /nfs/dbraw/zinc/96/90/09/1130969009.db2.gz QJFBEGZUUOJLHR-UHFFFAOYSA-N 0 0 289.400 3.815 20 10 CHCDRN Cc1cc(OC(C)C)ncc1-c1nccc2c1ccn2C ZINC001236570437 1130977771 /nfs/dbraw/zinc/97/77/71/1130977771.db2.gz OYCASNUBGFSRBX-UHFFFAOYSA-N 0 0 281.359 3.731 20 10 CHCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000797467940 1130989225 /nfs/dbraw/zinc/98/92/25/1130989225.db2.gz CVDNIKOBHCJDIA-QMMMGPOBSA-N 0 0 293.716 3.710 20 10 CHCDRN C[C@H]([NH2+]Cc1ccn(C)c1)c1cccc(C(F)(F)F)c1[O-] ZINC000815585730 1131003699 /nfs/dbraw/zinc/00/36/99/1131003699.db2.gz QPDCXOLOSRBSMS-JTQLQIEISA-N 0 0 298.308 3.600 20 10 CHCDRN [O-]c1cc(Cl)c(Cl)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001236789780 1131007660 /nfs/dbraw/zinc/00/76/60/1131007660.db2.gz JTPYKAHXMHKBMA-AOOOYVTPSA-N 0 0 286.202 3.931 20 10 CHCDRN COc1ccc(C[NH+]2CCC(C(C)C)CC2)c([O-])c1Cl ZINC001236808383 1131011545 /nfs/dbraw/zinc/01/15/45/1131011545.db2.gz XYBNEBDPDMFATK-UHFFFAOYSA-N 0 0 297.826 3.922 20 10 CHCDRN COc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c([O-])c1Cl ZINC001236801101 1131011883 /nfs/dbraw/zinc/01/18/83/1131011883.db2.gz FZLWMMIRPPMOBU-TXEJJXNPSA-N 0 0 295.810 3.676 20 10 CHCDRN COc1ccc(C[N@@H+]2CCC3(CCCC3)C2)c([O-])c1Cl ZINC001236812557 1131012553 /nfs/dbraw/zinc/01/25/53/1131012553.db2.gz YUOAOYNOLWMUCH-UHFFFAOYSA-N 0 0 295.810 3.820 20 10 CHCDRN C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000815642972 1131015598 /nfs/dbraw/zinc/01/55/98/1131015598.db2.gz PUHLJLNJRUFYQB-VOMCLLRMSA-N 0 0 292.379 3.776 20 10 CHCDRN C[C@@]1(F)CC[N@H+](Cc2cc3ccccc3cc2O)C[C@@H]1F ZINC001236827184 1131017081 /nfs/dbraw/zinc/01/70/81/1131017081.db2.gz QUHRSKCUMMJNRI-DLBZAZTESA-N 0 0 291.341 3.817 20 10 CHCDRN C[C@H]([NH2+]Cc1c(F)cc(F)cc1F)c1ccc(F)cc1[O-] ZINC000815650279 1131018251 /nfs/dbraw/zinc/01/82/51/1131018251.db2.gz NJHMAAZOVKVPRC-QMMMGPOBSA-N 0 0 299.267 3.799 20 10 CHCDRN Cc1ccc(/C=C/C(=O)N2CCCCc3sccc32)cn1 ZINC000798047500 1131023802 /nfs/dbraw/zinc/02/38/02/1131023802.db2.gz UBVWUIZNEZPICI-BQYQJAHWSA-N 0 0 298.411 3.834 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)c1sccc1F ZINC000815797094 1131025704 /nfs/dbraw/zinc/02/57/04/1131025704.db2.gz AGPJUJPISBYOPO-UHFFFAOYSA-N 0 0 293.363 3.645 20 10 CHCDRN Cc1c(N[C@@H](C)c2cccc(C(F)(F)F)c2O)cnn1C ZINC000798182938 1131027498 /nfs/dbraw/zinc/02/74/98/1131027498.db2.gz JVPDEUUMOYBJJO-QMMMGPOBSA-N 0 0 299.296 3.626 20 10 CHCDRN CS[C@@H](C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000798180899 1131027907 /nfs/dbraw/zinc/02/79/07/1131027907.db2.gz DHABVODKIXJAER-IUCAKERBSA-N 0 0 293.354 3.813 20 10 CHCDRN C[C@H](NC(=O)c1ccoc1C1CC1)c1ccc(N(C)C)cc1 ZINC000798502223 1131039213 /nfs/dbraw/zinc/03/92/13/1131039213.db2.gz QQCAHLGASYPRNI-LBPRGKRZSA-N 0 0 298.386 3.714 20 10 CHCDRN CC(C)c1ccc(C[N@@H+]2CCC[C@H](F)CC2)c(O)c1 ZINC001237046093 1131040033 /nfs/dbraw/zinc/04/00/33/1131040033.db2.gz PIZCDALMUPZOOU-HNNXBMFYSA-N 0 0 265.372 3.840 20 10 CHCDRN CC(C)c1ccc(C[N@H+](CCO)Cc2ccccc2)c(O)c1 ZINC001237048742 1131041032 /nfs/dbraw/zinc/04/10/32/1131041032.db2.gz WKSZNIYFNYCSLR-UHFFFAOYSA-N 0 0 299.414 3.510 20 10 CHCDRN CC[C@H](C)[N@H+](C)Cc1c([O-])ccc(Cl)c1Cl ZINC001237079273 1131046791 /nfs/dbraw/zinc/04/67/91/1131046791.db2.gz JMKCHKYIDSNMMF-QMMMGPOBSA-N 0 0 262.180 3.929 20 10 CHCDRN Oc1ccc(Cl)c(Cl)c1CN1Cc2cccnc2C1 ZINC001237078171 1131046884 /nfs/dbraw/zinc/04/68/84/1131046884.db2.gz OWROGEWHNSSKDW-UHFFFAOYSA-N 0 0 295.169 3.610 20 10 CHCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001237083495 1131047585 /nfs/dbraw/zinc/04/75/85/1131047585.db2.gz DPKHZVYBYAGNJQ-KCJUWKMLSA-N 0 0 272.175 3.683 20 10 CHCDRN CCN(Cc1ccncc1)Cc1c(O)ccc(F)c1Cl ZINC001237122814 1131054792 /nfs/dbraw/zinc/05/47/92/1131054792.db2.gz ZAHXTXFOBJITRG-UHFFFAOYSA-N 0 0 294.757 3.602 20 10 CHCDRN Oc1ccc(C(F)(F)F)cc1CN1Cc2ccccc2C1 ZINC001237138279 1131055336 /nfs/dbraw/zinc/05/53/36/1131055336.db2.gz WOAPWPADMJBCHB-UHFFFAOYSA-N 0 0 293.288 3.927 20 10 CHCDRN COc1ccc2c(c1)CCCN2Cc1cn(C(C)C)nc1C ZINC000798951666 1131063329 /nfs/dbraw/zinc/06/33/29/1131063329.db2.gz HZNHEZCCYNENBQ-UHFFFAOYSA-N 0 0 299.418 3.734 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)c1cccc(C2CCC2)c1 ZINC000798976131 1131066136 /nfs/dbraw/zinc/06/61/36/1131066136.db2.gz DPADRIVVVBRHOZ-UHFFFAOYSA-N 0 0 295.382 3.932 20 10 CHCDRN O=C(NCc1ccccc1O)c1cccc(C2CCC2)c1 ZINC000798980307 1131066989 /nfs/dbraw/zinc/06/69/89/1131066989.db2.gz LTYPKYMPXHKBPI-UHFFFAOYSA-N 0 0 281.355 3.590 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(N[C@@H]2CCOC[C@@H]2C)cc1 ZINC001170821854 1131079262 /nfs/dbraw/zinc/07/92/62/1131079262.db2.gz YQBMRMKPELDLPN-SCLBCKFNSA-N 0 0 284.403 3.931 20 10 CHCDRN C[C@@H](c1ccco1)[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816485343 1131099196 /nfs/dbraw/zinc/09/91/96/1131099196.db2.gz JGAGWLAESYSWIW-VIFPVBQESA-N 0 0 283.730 3.971 20 10 CHCDRN C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc2ccccc2c1O ZINC000816514851 1131103207 /nfs/dbraw/zinc/10/32/07/1131103207.db2.gz JCMDRFMPRUOVTL-QWHCGFSZSA-N 0 0 255.361 3.776 20 10 CHCDRN C[C@@H](Cc1cccs1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816532633 1131105504 /nfs/dbraw/zinc/10/55/04/1131105504.db2.gz PKUKKHNTFAOCJH-VIFPVBQESA-N 0 0 299.798 3.967 20 10 CHCDRN CCCC(C)(C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816547236 1131107295 /nfs/dbraw/zinc/10/72/95/1131107295.db2.gz OSSATECKUDINJU-UHFFFAOYSA-N 0 0 259.752 3.853 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1cccs1 ZINC000816529351 1131107834 /nfs/dbraw/zinc/10/78/34/1131107834.db2.gz POKGKALGHKFCNH-UHFFFAOYSA-N 0 0 285.771 3.579 20 10 CHCDRN Cc1ccncc1[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816560353 1131110645 /nfs/dbraw/zinc/11/06/45/1131110645.db2.gz MBRGJGIIMNHODI-SNVBAGLBSA-N 0 0 294.757 3.739 20 10 CHCDRN C[C@@H](CCC1CC1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816570623 1131112195 /nfs/dbraw/zinc/11/21/95/1131112195.db2.gz AGRUPQKQVSTZOA-VIFPVBQESA-N 0 0 271.763 3.853 20 10 CHCDRN Cc1ccc(CSc2ncc([N+](=O)[O-])s2)cc1C ZINC000799942437 1131116686 /nfs/dbraw/zinc/11/66/86/1131116686.db2.gz MTHBAJFVACYCTF-UHFFFAOYSA-N 0 0 280.374 3.960 20 10 CHCDRN C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237618099 1131119107 /nfs/dbraw/zinc/11/91/07/1131119107.db2.gz XPDIDYGQRADDRP-JTQLQIEISA-N 0 0 271.763 3.807 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CC2CCC(CC2)C1 ZINC001237624049 1131119194 /nfs/dbraw/zinc/11/91/94/1131119194.db2.gz VYNGVFQVVPLFPS-UHFFFAOYSA-N 0 0 283.774 3.807 20 10 CHCDRN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H]1CC1(C)C ZINC001237621970 1131119612 /nfs/dbraw/zinc/11/96/12/1131119612.db2.gz KBUFUJSESYJMGS-SNVBAGLBSA-N 0 0 271.763 3.663 20 10 CHCDRN C[N@@H+](Cc1cc(F)cc(Cl)c1[O-])C[C@@H]1CC1(C)C ZINC001237805859 1131143451 /nfs/dbraw/zinc/14/34/51/1131143451.db2.gz OSWSSODBVHGHNT-JTQLQIEISA-N 0 0 271.763 3.663 20 10 CHCDRN [O-]c1cc(Cl)c(F)cc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001237933605 1131152553 /nfs/dbraw/zinc/15/25/53/1131152553.db2.gz DUNUBWMEDYIWRN-GHMZBOCLSA-N 0 0 283.774 3.807 20 10 CHCDRN CCCn1cc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3C)cn1 ZINC001116567325 1131156193 /nfs/dbraw/zinc/15/61/93/1131156193.db2.gz CXSSSORLPZEJOF-TZMCWYRMSA-N 0 0 285.391 3.968 20 10 CHCDRN CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Cl)cc(C)c2O)CCO1 ZINC000817586052 1131173988 /nfs/dbraw/zinc/17/39/88/1131173988.db2.gz LGSXHHNQROTILH-IACUBPJLSA-N 0 0 297.826 3.962 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCO[C@H](CC)C1)c1ccc(C)cc1O ZINC000817587673 1131174479 /nfs/dbraw/zinc/17/44/79/1131174479.db2.gz ZZIZLQHSAPLURG-LZWOXQAQSA-N 0 0 277.408 3.699 20 10 CHCDRN COC(C)(C)CC(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000817760509 1131183365 /nfs/dbraw/zinc/18/33/65/1131183365.db2.gz CQDHURKVFXXBOP-UHFFFAOYSA-N 0 0 289.375 3.516 20 10 CHCDRN Cc1c(C)n(C)c2ccc(OC(=O)C3CCC3)cc12 ZINC000817760663 1131184139 /nfs/dbraw/zinc/18/41/39/1131184139.db2.gz DLPVWCAEBHKEEA-UHFFFAOYSA-N 0 0 257.333 3.501 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CC12CC2)c1cccc(C(F)(F)F)c1[O-] ZINC000818356518 1131211461 /nfs/dbraw/zinc/21/14/61/1131211461.db2.gz NWJWMMGMTLKZKP-GZMMTYOYSA-N 0 0 271.282 3.614 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CC12CC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000818357197 1131211833 /nfs/dbraw/zinc/21/18/33/1131211833.db2.gz WNCHDVCOVFOETF-KRTXAFLBSA-N 0 0 272.175 3.902 20 10 CHCDRN C[C@H](N[C@H]1C[C@H](C)c2c1c(O)ccc2F)C(F)(F)F ZINC000818356646 1131211892 /nfs/dbraw/zinc/21/18/92/1131211892.db2.gz OWZNRLPPMOWEFB-ZKWXMUAHSA-N 0 0 277.261 3.620 20 10 CHCDRN CC[C@H](C)[C@H](CN1CCCCc2cc(OC)ccc21)OC ZINC001206090951 1131219849 /nfs/dbraw/zinc/21/98/49/1131219849.db2.gz DLIDURXOSIGYDI-KSSFIOAISA-N 0 0 291.435 3.899 20 10 CHCDRN CCn1nnc(C)c1CSc1ncc(C(C)(C)C)s1 ZINC000829297955 1131416578 /nfs/dbraw/zinc/41/65/78/1131416578.db2.gz KXFIAIWHXWSAJJ-UHFFFAOYSA-N 0 0 296.465 3.653 20 10 CHCDRN Cc1cc(C[N@@H+]2CC[C@@H](F)C2)ccc1N1CCCCC1 ZINC000830480489 1131458641 /nfs/dbraw/zinc/45/86/41/1131458641.db2.gz QQMDUFXLXGFQEX-MRXNPFEDSA-N 0 0 276.399 3.529 20 10 CHCDRN [O-]c1c(F)cccc1C[NH+]1CCC(c2cccs2)CC1 ZINC001138127465 1131470306 /nfs/dbraw/zinc/47/03/06/1131470306.db2.gz DONGTKPGIQJXJQ-UHFFFAOYSA-N 0 0 291.391 3.972 20 10 CHCDRN CC[N@H+](Cc1ccc(Br)cc1O)C1CCC1 ZINC000824851054 1131486527 /nfs/dbraw/zinc/48/65/27/1131486527.db2.gz RUZKZVNTTDBJGT-UHFFFAOYSA-N 0 0 284.197 3.529 20 10 CHCDRN COCc1ccccc1NCc1cc(C)c(C)cc1O ZINC000824997808 1131491191 /nfs/dbraw/zinc/49/11/91/1131491191.db2.gz CYFAMCZQLBDMSL-UHFFFAOYSA-N 0 0 271.360 3.768 20 10 CHCDRN CC1(C2([NH2+]Cc3cc(Cl)c(F)cc3[O-])CC2)CC1 ZINC000825123656 1131500317 /nfs/dbraw/zinc/50/03/17/1131500317.db2.gz BHJMSMCJTKNUPR-UHFFFAOYSA-N 0 0 269.747 3.607 20 10 CHCDRN CCN(C(=O)/C=C(\C)c1cnccn1)c1cc(C)ccc1C ZINC000825373777 1131509095 /nfs/dbraw/zinc/50/90/95/1131509095.db2.gz RYAPSMHJVCGFDX-RVDMUPIBSA-N 0 0 295.386 3.550 20 10 CHCDRN CCc1ccc(NC(=O)Cc2ccc(N)cc2)cc1CC ZINC000844201961 1131538054 /nfs/dbraw/zinc/53/80/54/1131538054.db2.gz GLEVMXXUFDGVMF-UHFFFAOYSA-N 0 0 282.387 3.575 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(C(F)(F)F)cn2)cc1 ZINC000844355822 1131554286 /nfs/dbraw/zinc/55/42/86/1131554286.db2.gz UQMRDUQSQHGFDX-UHFFFAOYSA-N 0 0 296.292 3.745 20 10 CHCDRN COCc1ccnc(NCc2c(O)cc(C)cc2Cl)c1 ZINC000844709569 1131593840 /nfs/dbraw/zinc/59/38/40/1131593840.db2.gz SFVHPOUFKIVSAN-UHFFFAOYSA-N 0 0 292.766 3.508 20 10 CHCDRN CCc1ccc(NC(=O)N2CCc3cccc(O)c3C2)cc1 ZINC001202942105 1131611149 /nfs/dbraw/zinc/61/11/49/1131611149.db2.gz HXTRQBMXQLKIFK-UHFFFAOYSA-N 0 0 296.370 3.545 20 10 CHCDRN C[N@H+](CCCc1ccccc1)Cc1c(F)ccc(F)c1[O-] ZINC001139683847 1131629425 /nfs/dbraw/zinc/62/94/25/1131629425.db2.gz NFSMFTKGGBCNPQ-UHFFFAOYSA-N 0 0 291.341 3.735 20 10 CHCDRN Cc1ccc([C@H](C)C(=O)NCc2c(C)cc(C)cc2O)cc1 ZINC001144464499 1131640251 /nfs/dbraw/zinc/64/02/51/1131640251.db2.gz MYDJTLBFZVTFFD-HNNXBMFYSA-N 0 0 297.398 3.737 20 10 CHCDRN C[C@@H]1C[N@H+](Cc2c(O)cccc2Br)C2(CC2)C1 ZINC001140103530 1131664598 /nfs/dbraw/zinc/66/45/98/1131664598.db2.gz NRFUZKIQNSHTLW-JTQLQIEISA-N 0 0 296.208 3.529 20 10 CHCDRN Cc1ccc(C)c(C[N@H+](Cc2ccco2)C2CC2)c1O ZINC001140184080 1131674089 /nfs/dbraw/zinc/67/40/89/1131674089.db2.gz MAIOKAOLYYAUCV-UHFFFAOYSA-N 0 0 271.360 3.767 20 10 CHCDRN CCC[C@H](C(=O)C(=O)CC(C)(C)CC(=O)OCC)C(C)C ZINC001140198861 1131675112 /nfs/dbraw/zinc/67/51/12/1131675112.db2.gz WRHLDHYTBWYFBB-ZDUSSCGKSA-N 0 0 298.423 3.566 20 10 CHCDRN CC(C)Oc1ccc(N(C)C(=O)C2=CC(=O)CS2)cc1 ZINC000834431765 1131677965 /nfs/dbraw/zinc/67/79/65/1131677965.db2.gz PBPSGFLIPDTCBX-UHFFFAOYSA-N 0 0 291.372 3.518 20 10 CHCDRN CCc1ccncc1NCc1cc(Cl)cc(OC)c1O ZINC000846069433 1131685642 /nfs/dbraw/zinc/68/56/42/1131685642.db2.gz DEBQXIVJUAPIEX-UHFFFAOYSA-N 0 0 292.766 3.624 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000846104606 1131690705 /nfs/dbraw/zinc/69/07/05/1131690705.db2.gz JOIGZNDPFISRSP-CYBMUJFWSA-N 0 0 287.737 3.667 20 10 CHCDRN COc1cccc([C@@H](C)Nc2cnn(C(C)(C)C)c2)c1O ZINC000846160083 1131692382 /nfs/dbraw/zinc/69/23/82/1131692382.db2.gz MKNMLMVCDDAIIB-LLVKDONJSA-N 0 0 289.379 3.525 20 10 CHCDRN COc1cccc([C@H](C)N[C@@H](C(C)C)C(F)(F)F)c1O ZINC000846167054 1131693071 /nfs/dbraw/zinc/69/30/71/1131693071.db2.gz RXKMBVORGKSFFY-ZANVPECISA-N 0 0 291.313 3.638 20 10 CHCDRN Cc1c(N[C@@H]2CCc3cccc(O)c32)cnn1CC(C)C ZINC000834737685 1131700544 /nfs/dbraw/zinc/70/05/44/1131700544.db2.gz WJMDYUFXKWLOIE-CQSZACIVSA-N 0 0 285.391 3.653 20 10 CHCDRN CC[C@@H](N[C@@H](CC)C(F)F)c1ccc(F)cc1O ZINC000834826606 1131707342 /nfs/dbraw/zinc/70/73/42/1131707342.db2.gz FQZMZYQYDJXPMG-MNOVXSKESA-N 0 0 261.287 3.616 20 10 CHCDRN O=C(Nc1ccc(C2CC2)cc1)C1=CC(=O)CS1 ZINC000772936550 1131710032 /nfs/dbraw/zinc/71/00/32/1131710032.db2.gz SXDMTFWTFAQSDW-UHFFFAOYSA-N 0 0 259.330 3.583 20 10 CHCDRN C/C(=C\C(=O)NCc1cc(Cl)ccc1O)C(C)(C)C ZINC000846476723 1131711156 /nfs/dbraw/zinc/71/11/56/1131711156.db2.gz PDBCWXAFPZZWJM-JXMROGBWSA-N 0 0 281.783 3.654 20 10 CHCDRN C/C(=C/C(=O)NCc1cc(Cl)ccc1O)C(C)(C)C ZINC000846476725 1131711433 /nfs/dbraw/zinc/71/14/33/1131711433.db2.gz PDBCWXAFPZZWJM-YFHOEESVSA-N 0 0 281.783 3.654 20 10 CHCDRN CCc1nc(C[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])co1 ZINC000834899392 1131724004 /nfs/dbraw/zinc/72/40/04/1131724004.db2.gz POHYBSJCVRHNDO-ZDUSSCGKSA-N 0 0 294.782 3.837 20 10 CHCDRN CCc1ncc(C[NH2+][C@@H](CC)c2cccc(Cl)c2[O-])o1 ZINC000834900221 1131725535 /nfs/dbraw/zinc/72/55/35/1131725535.db2.gz NXGBKYXDAGYIFW-ZDUSSCGKSA-N 0 0 294.782 3.837 20 10 CHCDRN CC[C@H]([NH2+]CCC[C@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000834903054 1131726877 /nfs/dbraw/zinc/72/68/77/1131726877.db2.gz INGBVEYPLOJREA-WFASDCNBSA-N 0 0 297.826 3.903 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc(F)cc1[O-] ZINC000834905064 1131728942 /nfs/dbraw/zinc/72/89/42/1131728942.db2.gz FDGBKVTYHJTGHU-CQDKDKBSSA-N 0 0 263.356 3.618 20 10 CHCDRN Cc1cc(C)c([C@H](C)Nc2cccc(CCO)c2)c(O)c1 ZINC000834910861 1131731034 /nfs/dbraw/zinc/73/10/34/1131731034.db2.gz GFHBXIYSKCNQMU-AWEZNQCLSA-N 0 0 285.387 3.717 20 10 CHCDRN C[C@H]([NH2+][C@H](C1CC1)C1CCC1)c1cc(F)cc(F)c1[O-] ZINC000834913676 1131732139 /nfs/dbraw/zinc/73/21/39/1131732139.db2.gz ZGGJIFHFLMYLGC-VFZGTOFNSA-N 0 0 281.346 3.900 20 10 CHCDRN C[C@H]([NH2+][C@@H](C1CC1)C1CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834912419 1131732299 /nfs/dbraw/zinc/73/22/99/1131732299.db2.gz ROXJOSILNHOQBN-MGPLVRAMSA-N 0 0 290.363 3.530 20 10 CHCDRN Oc1cc(Cl)ccc1CN1CCCCC(F)(F)C1 ZINC001140461039 1131747178 /nfs/dbraw/zinc/74/71/78/1131747178.db2.gz CCUPREIDQQPTLU-UHFFFAOYSA-N 0 0 275.726 3.667 20 10 CHCDRN Oc1cc(Cl)ccc1C[N@@H+]1CCC12CCCC2 ZINC001140462994 1131749082 /nfs/dbraw/zinc/74/90/82/1131749082.db2.gz RHMIDOCFRFWNDP-UHFFFAOYSA-N 0 0 251.757 3.564 20 10 CHCDRN CCn1nc(C)c(NC/C=C/c2ccc(N(C)C)cc2)c1C ZINC000835043950 1131762087 /nfs/dbraw/zinc/76/20/87/1131762087.db2.gz DCTBVRJKPNYZAZ-BQYQJAHWSA-N 0 0 298.434 3.711 20 10 CHCDRN C/C(=C/c1ccco1)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000846980808 1131770662 /nfs/dbraw/zinc/77/06/62/1131770662.db2.gz YJKOSERSTHAMJP-DINCDJDBSA-N 0 0 298.386 3.626 20 10 CHCDRN COc1cccc2c1[C@@H](Oc1ccc(N(C)C)cc1)CCO2 ZINC001227939489 1131772114 /nfs/dbraw/zinc/77/21/14/1131772114.db2.gz XDRKGGVZJQIGLH-KRWDZBQOSA-N 0 0 299.370 3.664 20 10 CHCDRN C[C@@H](COc1ccccc1)Oc1ccc(N(C)C)cc1 ZINC001227939181 1131772143 /nfs/dbraw/zinc/77/21/43/1131772143.db2.gz NZXOOIIWKCAIIX-AWEZNQCLSA-N 0 0 271.360 3.599 20 10 CHCDRN COc1cccc2c1[C@H](Oc1ccc(N(C)C)cc1)CCO2 ZINC001227939490 1131772253 /nfs/dbraw/zinc/77/22/53/1131772253.db2.gz XDRKGGVZJQIGLH-QGZVFWFLSA-N 0 0 299.370 3.664 20 10 CHCDRN CC[C@@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccccc1 ZINC001227938873 1131772648 /nfs/dbraw/zinc/77/26/48/1131772648.db2.gz ZGVNHUYUQXMWQX-LLVKDONJSA-N 0 0 286.327 3.506 20 10 CHCDRN COc1cc(Cl)nc(NCc2c(C)cc(C)cc2O)c1 ZINC001160810602 1131777448 /nfs/dbraw/zinc/77/74/48/1131777448.db2.gz TUISKPUZNPVJFR-UHFFFAOYSA-N 0 0 292.766 3.678 20 10 CHCDRN CC[C@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CC1(C)C ZINC001171285839 1131799461 /nfs/dbraw/zinc/79/94/61/1131799461.db2.gz CWORXNIEAJNQLX-CABCVRRESA-N 0 0 293.382 3.648 20 10 CHCDRN Cc1ccc(CC[N@@H+](C)Cc2c([O-])cc(F)cc2F)cc1 ZINC001140583693 1131808515 /nfs/dbraw/zinc/80/85/15/1131808515.db2.gz QXHDZEZNLCHKNR-UHFFFAOYSA-N 0 0 291.341 3.653 20 10 CHCDRN C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c([O-])cc(F)cc1F ZINC001140584537 1131810832 /nfs/dbraw/zinc/81/08/32/1131810832.db2.gz WCGVDMXGMYWWTR-LLVKDONJSA-N 0 0 289.325 3.617 20 10 CHCDRN CCCCN(Cc1ccccc1)C(=O)c1cccc(O)c1O ZINC001148213506 1131845607 /nfs/dbraw/zinc/84/56/07/1131845607.db2.gz DLEPNDWHNOEVQJ-UHFFFAOYSA-N 0 0 299.370 3.540 20 10 CHCDRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1C ZINC000772998314 1131909663 /nfs/dbraw/zinc/90/96/63/1131909663.db2.gz XONUNBBYIDNVDQ-HNNXBMFYSA-N 0 0 296.414 3.860 20 10 CHCDRN C[C@H](NC(=O)/C=C1\CC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773009191 1131917708 /nfs/dbraw/zinc/91/77/08/1131917708.db2.gz PHRWHKDWQMHXMG-OUXOPYRJSA-N 0 0 286.419 3.676 20 10 CHCDRN C/C(=C/C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)(C)C ZINC000773017463 1131918722 /nfs/dbraw/zinc/91/87/22/1131918722.db2.gz GRBXJIODBDWYPD-DINCDJDBSA-N 0 0 288.435 3.922 20 10 CHCDRN C[C@@H](NC(=O)/C=C/c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773019753 1131920375 /nfs/dbraw/zinc/92/03/75/1131920375.db2.gz ZPGYTRWQUDJOCI-AAWPKVBNSA-N 0 0 294.398 3.643 20 10 CHCDRN CCC(=CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CC ZINC000773017003 1131920879 /nfs/dbraw/zinc/92/08/79/1131920879.db2.gz GDPYSNQCLPCPQB-ZDUSSCGKSA-N 0 0 274.408 3.676 20 10 CHCDRN C[C@H](NC(=O)C[C@@H]1CC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773021858 1131922280 /nfs/dbraw/zinc/92/22/80/1131922280.db2.gz UQNGFLQIUMRLME-QLFBSQMISA-N 0 0 288.435 3.756 20 10 CHCDRN C[C@H](NC(=O)C[C@H]1CC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773021856 1131922667 /nfs/dbraw/zinc/92/26/67/1131922667.db2.gz UQNGFLQIUMRLME-ILXRZTDVSA-N 0 0 288.435 3.756 20 10 CHCDRN CCCc1cc(NCc2cc3ccccc3cc2O)ncn1 ZINC001171401930 1131968821 /nfs/dbraw/zinc/96/88/21/1131968821.db2.gz BMPIIRWZAMSFAO-UHFFFAOYSA-N 0 0 293.370 3.900 20 10 CHCDRN COc1ccc(OC(F)F)c(NCc2ccccc2O)c1 ZINC000037007604 1131987752 /nfs/dbraw/zinc/98/77/52/1131987752.db2.gz ZCVVTRITXPPCEU-UHFFFAOYSA-N 0 0 295.285 3.614 20 10 CHCDRN COc1ccccc1N[C@H](C)c1ccc(N(C)C)cc1 ZINC000037189162 1132009795 /nfs/dbraw/zinc/00/97/95/1132009795.db2.gz QEBLMTKMZAWCLI-CYBMUJFWSA-N 0 0 270.376 3.934 20 10 CHCDRN CC[C@H](C)[C@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773248144 1132010675 /nfs/dbraw/zinc/01/06/75/1132010675.db2.gz XBTOTVLFBDTTDH-MELADBBJSA-N 0 0 291.439 3.547 20 10 CHCDRN C[C@@H]1C[C@@H](CC(=O)NCc2ccc(N)cc2)CC(C)(C)C1 ZINC000837303109 1132062237 /nfs/dbraw/zinc/06/22/37/1132062237.db2.gz VJEARMVGAONDRT-HIFRSBDPSA-N 0 0 288.435 3.738 20 10 CHCDRN COc1ccc(O)c([C@H](C)NC(=O)CCCCC(C)C)c1 ZINC000837485309 1132078217 /nfs/dbraw/zinc/07/82/17/1132078217.db2.gz MHGBMXYOWMWSBA-ZDUSSCGKSA-N 0 0 293.407 3.794 20 10 CHCDRN CC[N@H+](Cc1ccccc1O)[C@H]1Cc2cccc(F)c2C1 ZINC001171807591 1132104249 /nfs/dbraw/zinc/10/42/49/1132104249.db2.gz VIJRBWORBAVXRA-HNNXBMFYSA-N 0 0 285.362 3.521 20 10 CHCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCC(C)C ZINC000839914626 1132239911 /nfs/dbraw/zinc/23/99/11/1132239911.db2.gz ALTPVTPFFTUIDV-OAHLLOKOSA-N 0 0 290.451 3.544 20 10 CHCDRN CC[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cc1[O-] ZINC000840820095 1132291221 /nfs/dbraw/zinc/29/12/21/1132291221.db2.gz JVFUHXDKFBVTTN-KAOXEZKKSA-N 0 0 263.356 3.761 20 10 CHCDRN CC(C)[N@H+](Cc1ccccc1)Cc1ccc(C(=O)[O-])cc1O ZINC001231449382 1132296684 /nfs/dbraw/zinc/29/66/84/1132296684.db2.gz YJCGYGYZKCKGGV-UHFFFAOYSA-N 0 0 299.370 3.501 20 10 CHCDRN Cc1cc(O)c(CN(CC(F)F)C2CC2)c(Cl)c1 ZINC000840917635 1132307417 /nfs/dbraw/zinc/30/74/17/1132307417.db2.gz LLFDXBXTBVUAME-UHFFFAOYSA-N 0 0 275.726 3.584 20 10 CHCDRN CCOc1ccc(NCc2cc(C)ccc2O)c(F)c1 ZINC000840975032 1132317042 /nfs/dbraw/zinc/31/70/42/1132317042.db2.gz BRCQCXHIYDIMSU-UHFFFAOYSA-N 0 0 275.323 3.851 20 10 CHCDRN CCCc1ccc(NC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841017464 1132320003 /nfs/dbraw/zinc/32/00/03/1132320003.db2.gz VPHFFURATODAQG-UHFFFAOYSA-N 0 0 297.402 3.586 20 10 CHCDRN Cc1cc(O)c(CNc2ccc3c(c2)CCCN3)cc1C ZINC000841035871 1132321316 /nfs/dbraw/zinc/32/13/16/1132321316.db2.gz JJJBUZSDFGUPKL-UHFFFAOYSA-N 0 0 282.387 3.979 20 10 CHCDRN C[C@@H](CCc1ccccc1)CNc1ccc(N)cc1 ZINC000841039919 1132322935 /nfs/dbraw/zinc/32/29/35/1132322935.db2.gz FCSJFADRHKCHEW-AWEZNQCLSA-N 0 0 254.377 3.950 20 10 CHCDRN CC(C)c1snnc1-c1nc(-c2ccc(F)cc2)no1 ZINC001212687527 1132335661 /nfs/dbraw/zinc/33/56/61/1132335661.db2.gz YACRFCBICUGXDH-UHFFFAOYSA-N 0 0 290.323 3.518 20 10 CHCDRN CCc1ccc(C(C)(C)NC(=O)Nc2ccc(N)cc2)cc1 ZINC000841298833 1132342852 /nfs/dbraw/zinc/34/28/52/1132342852.db2.gz DHTVGIXTPMFOLI-UHFFFAOYSA-N 0 0 297.402 3.888 20 10 CHCDRN Nc1ccc(NC(=O)N2CC3(CCC3)[C@H]2c2ccco2)cc1 ZINC000841297652 1132342872 /nfs/dbraw/zinc/34/28/72/1132342872.db2.gz IDEHATFUAROTDE-OAHLLOKOSA-N 0 0 297.358 3.621 20 10 CHCDRN CC1(C)CCC[C@@H](CNC(=O)Nc2ccc(N)cc2)C1 ZINC000841298141 1132342937 /nfs/dbraw/zinc/34/29/37/1132342937.db2.gz MQRLAQXHPNHLGL-GFCCVEGCSA-N 0 0 275.396 3.607 20 10 CHCDRN CC(C)(C)c1ccc(CNC(=O)Nc2ccc(N)cc2)cc1 ZINC000841300851 1132344282 /nfs/dbraw/zinc/34/42/82/1132344282.db2.gz XDDCVZHNUBOQEE-UHFFFAOYSA-N 0 0 297.402 3.888 20 10 CHCDRN Nc1ccc(NC(=O)NCC[C@@H]2CCc3ccccc32)cc1 ZINC000841300682 1132344949 /nfs/dbraw/zinc/34/49/49/1132344949.db2.gz ZSWASTOHXMAQKG-AWEZNQCLSA-N 0 0 295.386 3.510 20 10 CHCDRN Cc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(N)cc2)cc1 ZINC000841301833 1132344964 /nfs/dbraw/zinc/34/49/64/1132344964.db2.gz FHNZNMBPTYYZPG-KRWDZBQOSA-N 0 0 295.386 3.946 20 10 CHCDRN Cc1cc(C)c(C[N@H+](C)Cc2ccc(Cl)nc2)c(O)c1 ZINC001231849129 1132378403 /nfs/dbraw/zinc/37/84/03/1132378403.db2.gz NOFHSZFOGXFYAJ-UHFFFAOYSA-N 0 0 290.794 3.689 20 10 CHCDRN COc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccc(C)cc1 ZINC001231851776 1132379105 /nfs/dbraw/zinc/37/91/05/1132379105.db2.gz HVQCDNQZVZTWFL-UHFFFAOYSA-N 0 0 298.430 3.702 20 10 CHCDRN Cc1cc(C)c(CN2Cc3cnc(Cl)cc3C2)c(O)c1 ZINC001231850419 1132379529 /nfs/dbraw/zinc/37/95/29/1132379529.db2.gz OZXDYSZTHCYROC-UHFFFAOYSA-N 0 0 288.778 3.573 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(Cl)cc1[O-] ZINC000841747509 1132390211 /nfs/dbraw/zinc/39/02/11/1132390211.db2.gz CDITVPQKBVULTK-YPMHNXCESA-N 0 0 295.810 3.798 20 10 CHCDRN C[C@@H]([NH2+]CC1(C2CC2)CC1)c1ccc(Cl)cc1[O-] ZINC000841751112 1132390791 /nfs/dbraw/zinc/39/07/91/1132390791.db2.gz KRAYPXJTNKEQCN-SNVBAGLBSA-N 0 0 265.784 3.886 20 10 CHCDRN Cc1cc2c(cn1)CN(Cc1ccc3ccccc3c1O)C2 ZINC001231880358 1132391702 /nfs/dbraw/zinc/39/17/02/1132391702.db2.gz CIUAUZJGKKUQDT-UHFFFAOYSA-N 0 0 290.366 3.765 20 10 CHCDRN Oc1c(CN2CC(F)(F)C[C@H]2CF)ccc2ccccc21 ZINC001231879661 1132391987 /nfs/dbraw/zinc/39/19/87/1132391987.db2.gz MVKZRDXZVQJHKX-ZDUSSCGKSA-N 0 0 295.304 3.725 20 10 CHCDRN C[C@H]([NH2+][C@H](CO)CC1CCCCC1)c1ccc(F)cc1[O-] ZINC000841763005 1132396085 /nfs/dbraw/zinc/39/60/85/1132396085.db2.gz SVZSIRNCWMXDJX-WFASDCNBSA-N 0 0 295.398 3.513 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](F)C(F)(F)CC1 ZINC001231909384 1132398912 /nfs/dbraw/zinc/39/89/12/1132398912.db2.gz LBGPGPONHVDFMK-NSHDSACASA-N 0 0 293.716 3.615 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](F)C(F)(F)CC1 ZINC001231909383 1132399311 /nfs/dbraw/zinc/39/93/11/1132399311.db2.gz LBGPGPONHVDFMK-LLVKDONJSA-N 0 0 293.716 3.615 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH+]1CC2CCC(CC2)C1 ZINC001231915067 1132400228 /nfs/dbraw/zinc/40/02/28/1132400228.db2.gz WZMRFTWTEKUSLZ-UHFFFAOYSA-N 0 0 265.784 3.668 20 10 CHCDRN Nc1ccc(N(Cc2ccccc2)C(=O)C2CC(F)C2)cc1 ZINC001142576615 1132410837 /nfs/dbraw/zinc/41/08/37/1132410837.db2.gz HOLCMNYIUGMOLL-UHFFFAOYSA-N 0 0 298.361 3.550 20 10 CHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)CC(C)C ZINC001142714980 1132434694 /nfs/dbraw/zinc/43/46/94/1132434694.db2.gz LHPNJXIVXKGOMJ-QGZVFWFLSA-N 0 0 289.419 3.795 20 10 CHCDRN Oc1cc(O)c(C[N@@H+]2CCCC3(CCCC3)C2)cc1Cl ZINC001232258970 1132444899 /nfs/dbraw/zinc/44/48/99/1132444899.db2.gz GAVZYKZICAGHTB-UHFFFAOYSA-N 0 0 295.810 3.907 20 10 CHCDRN CCC[N@@H+](Cc1cc(Cl)c(OC)cc1[O-])CC(C)C ZINC001232271598 1132446400 /nfs/dbraw/zinc/44/64/00/1132446400.db2.gz XXCROGFTOCYHCB-UHFFFAOYSA-N 0 0 285.815 3.922 20 10 CHCDRN C[C@H]([NH2+][C@H]1C[C@@H](OC(C)(C)C)C1)c1cc(F)cc(F)c1[O-] ZINC000842921225 1132476821 /nfs/dbraw/zinc/47/68/21/1132476821.db2.gz OPFGBALJDXSJAF-ZMLRMANQSA-N 0 0 299.361 3.667 20 10 CHCDRN CC1(C)CCC(c2nc(Cc3ccc(N)cc3)no2)CC1 ZINC000843159294 1132500605 /nfs/dbraw/zinc/50/06/05/1132500605.db2.gz OMAAECUTSZFIRS-UHFFFAOYSA-N 0 0 285.391 3.926 20 10 CHCDRN CC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143111921 1132504430 /nfs/dbraw/zinc/50/44/30/1132504430.db2.gz IHTFIHWTPGCYAQ-MRXNPFEDSA-N 0 0 289.419 3.633 20 10 CHCDRN Cc1ccc(C2(C(=O)Nc3ccc(N)cc3)CCC2)cc1 ZINC000843291881 1132516117 /nfs/dbraw/zinc/51/61/17/1132516117.db2.gz DHTNTJRHXIMEHR-UHFFFAOYSA-N 0 0 280.371 3.638 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[N@@H+](C)C(C)(C)C)c1 ZINC000843431211 1132532344 /nfs/dbraw/zinc/53/23/44/1132532344.db2.gz ONJKAINONNCIAK-UHFFFAOYSA-N 0 0 286.213 3.693 20 10 CHCDRN [O-]c1c(C[NH+]2CCC3(CC[C@H](F)C3)CC2)ccc(F)c1F ZINC001233078376 1132569139 /nfs/dbraw/zinc/56/91/39/1132569139.db2.gz TXTCIBSHLONZOY-LBPRGKRZSA-N 0 0 299.336 3.775 20 10 CHCDRN Cc1cccc(CC[N@@H+](C)Cc2ccc(F)c(F)c2[O-])c1 ZINC001233076991 1132569515 /nfs/dbraw/zinc/56/95/15/1132569515.db2.gz BMVGLNPRCPQAOB-UHFFFAOYSA-N 0 0 291.341 3.653 20 10 CHCDRN C[C@H]1C[N@H+](Cc2ccc(F)c(F)c2[O-])Cc2ccccc21 ZINC001233074246 1132569770 /nfs/dbraw/zinc/56/97/70/1132569770.db2.gz LTGBDAOHTPQFTB-NSHDSACASA-N 0 0 289.325 3.790 20 10 CHCDRN C[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001233074682 1132569985 /nfs/dbraw/zinc/56/99/85/1132569985.db2.gz SNIHDWWCBMYBJU-NSHDSACASA-N 0 0 289.325 3.790 20 10 CHCDRN Cc1ccc2c(c1)C[N@@H+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233073674 1132570079 /nfs/dbraw/zinc/57/00/79/1132570079.db2.gz BTTSOWSWXDPKJV-UHFFFAOYSA-N 0 0 289.325 3.537 20 10 CHCDRN C[C@@H](NC(=O)c1cc2c(cccc2F)[nH]1)c1ccccc1O ZINC001151886016 1132574385 /nfs/dbraw/zinc/57/43/85/1132574385.db2.gz 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/nfs/dbraw/zinc/71/10/96/1134711096.db2.gz BHULWQQPDUEEKT-UHFFFAOYSA-N 0 0 259.305 3.549 20 10 CHCDRN CC(C)c1cc(N(C)c2ccc(N)cc2)ccc1N ZINC001216046523 1134760085 /nfs/dbraw/zinc/76/00/85/1134760085.db2.gz FALMUJFDYTVFOT-UHFFFAOYSA-N 0 0 255.365 3.742 20 10 CHCDRN Nc1ccc(N(CCO)c2ccc(C3CCC3)cc2)cc1 ZINC001216306452 1134843926 /nfs/dbraw/zinc/84/39/26/1134843926.db2.gz LXJUKOZLSLDODI-UHFFFAOYSA-N 0 0 282.387 3.667 20 10 CHCDRN CCOc1ccc(Cl)cc1Nc1cccc(O)c1O ZINC001216449580 1134901259 /nfs/dbraw/zinc/90/12/59/1134901259.db2.gz KPEBWKFWTRUFAO-UHFFFAOYSA-N 0 0 279.723 3.894 20 10 CHCDRN Oc1cccc(Nc2cc(F)ccc2Cl)c1O ZINC001216478709 1134903286 /nfs/dbraw/zinc/90/32/86/1134903286.db2.gz YCFHLHBFBNZZNW-UHFFFAOYSA-N 0 0 253.660 3.634 20 10 CHCDRN COc1ccc(N(c2ccc(N)cc2)C2=CCCOC2)cc1 ZINC001216510459 1134913299 /nfs/dbraw/zinc/91/32/99/1134913299.db2.gz RHEATRQIOMIBGR-UHFFFAOYSA-N 0 0 296.370 3.720 20 10 CHCDRN COc1ccc([C@H](C)Oc2ccc(N)cc2)c(F)c1 ZINC001218443140 1135107269 /nfs/dbraw/zinc/10/72/69/1135107269.db2.gz PQINCZTYZFOCRQ-JTQLQIEISA-N 0 0 261.296 3.557 20 10 CHCDRN CC[C@@H](C)C[C@@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC001222302492 1135220461 /nfs/dbraw/zinc/22/04/61/1135220461.db2.gz PLBBYFYRKIAYRU-UPJWGTAASA-N 0 0 278.396 3.577 20 10 CHCDRN Cc1ccc(SCC(=O)Nc2ccc(N)cc2)c(C)c1 ZINC000019846278 170894888 /nfs/dbraw/zinc/89/48/88/170894888.db2.gz VLHJSSBSNOWJDM-UHFFFAOYSA-N 0 0 286.400 3.616 20 10 CHCDRN COc1ccc(C)cc1N[C@@H](C)c1ccccc1O ZINC000019914363 170924252 /nfs/dbraw/zinc/92/42/52/170924252.db2.gz CQMJETJWTRDILI-LBPRGKRZSA-N 0 0 257.333 3.882 20 10 CHCDRN Cc1cccc(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000114184827 228044188 /nfs/dbraw/zinc/04/41/88/228044188.db2.gz YRYQAIIKHUWUDJ-UHFFFAOYSA-N 0 0 299.443 3.555 20 10 CHCDRN CN(C)c1ccc(CN(C(=O)C[C@H]2C=CCC2)C2CC2)cc1 ZINC000298344558 260151176 /nfs/dbraw/zinc/15/11/76/260151176.db2.gz FCNLXTHLZDFFPN-HNNXBMFYSA-N 0 0 298.430 3.600 20 10 CHCDRN CSc1ccc(N(C)C(=O)/C=C\c2cncs2)cc1 ZINC000493163403 260191143 /nfs/dbraw/zinc/19/11/43/260191143.db2.gz VONCHIDSDVTVJK-FPLPWBNLSA-N 0 0 290.413 3.541 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(F)cc1[O-] ZINC000285496601 263093384 /nfs/dbraw/zinc/09/33/84/263093384.db2.gz APSYXSOZKBCRIE-KMFMINBZSA-N 0 0 293.382 3.530 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184851423 327834242 /nfs/dbraw/zinc/83/42/42/327834242.db2.gz DRWGWYYJUXRXTQ-DTWKUNHWSA-N 0 0 290.190 3.529 20 10 CHCDRN CCN(CC)c1ccc(CN[C@H](C)c2cc(C)on2)cc1 ZINC000282689655 328243104 /nfs/dbraw/zinc/24/31/04/328243104.db2.gz NZHOBXRMYYYCJI-CQSZACIVSA-N 0 0 287.407 3.680 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)C1CCOCC1)c1cccc(Cl)c1[O-] ZINC000287863353 328252068 /nfs/dbraw/zinc/25/20/68/328252068.db2.gz XNTOUOWKUYBKMQ-IAQYHMDHSA-N 0 0 297.826 3.901 20 10 CHCDRN CC[C@H]([NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000083432501 326936363 /nfs/dbraw/zinc/93/63/63/326936363.db2.gz BNVDXPNXVKTTRX-HNNXBMFYSA-N 0 0 259.324 3.772 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(F)cc1[O-] ZINC000403416278 327360722 /nfs/dbraw/zinc/36/07/22/327360722.db2.gz WMEANHVMCHUSSP-QNWHQSFQSA-N 0 0 263.356 3.618 20 10 CHCDRN COCCCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000101596280 329533738 /nfs/dbraw/zinc/53/37/38/329533738.db2.gz KOQMLFWQSRWAOL-UHFFFAOYSA-N 0 0 292.206 3.605 20 10 CHCDRN CC[C@@H]([NH2+]CC[C@H]1CCCOC1)c1cccc(Cl)c1[O-] ZINC000527927987 330296859 /nfs/dbraw/zinc/29/68/59/330296859.db2.gz SONNSIIGUYVCJN-IUODEOHRSA-N 0 0 297.826 3.903 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1cccc(Cl)c1[O-] ZINC000528003752 330300340 /nfs/dbraw/zinc/30/03/40/330300340.db2.gz CHQIYVBKPQGDMS-XWKQNIGYSA-N 0 0 297.826 3.898 20 10 CHCDRN Oc1cccc2c1[C@H]([NH2+]CC[C@@H]1CC=CCC1)CC2 ZINC000527978094 330302252 /nfs/dbraw/zinc/30/22/52/330302252.db2.gz JEMBZTNHWWVMFH-UKRRQHHQSA-N 0 0 257.377 3.716 20 10 CHCDRN C[C@H]1CC[C@@H](c2noc(-c3ccc(-n4cccc4)cc3)n2)O1 ZINC000528237303 330316964 /nfs/dbraw/zinc/31/69/64/330316964.db2.gz FIKFNRBQMHQKBJ-WFASDCNBSA-N 0 0 295.342 3.767 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000451309376 331023959 /nfs/dbraw/zinc/02/39/59/331023959.db2.gz CVUVJPIJHSGJBW-YCPHGPKFSA-N 0 0 296.414 3.539 20 10 CHCDRN Cc1ccc([C@H](C)Nc2cccc(C(=O)N(C)C)c2)c(O)c1 ZINC000273500460 334766622 /nfs/dbraw/zinc/76/66/22/334766622.db2.gz YSLCEBTUEWXFLW-ZDUSSCGKSA-N 0 0 298.386 3.576 20 10 CHCDRN CCCOc1cc(C)ccc1NC(=O)Cc1ccc(N)cc1 ZINC000236919317 520301655 /nfs/dbraw/zinc/30/16/55/520301655.db2.gz JIFGGIUVEOBMOK-UHFFFAOYSA-N 0 0 298.386 3.547 20 10 CHCDRN CC1(C)CN(Cc2cccc(F)c2O)[C@@H]1c1cccnc1 ZINC000292817505 520482989 /nfs/dbraw/zinc/48/29/89/520482989.db2.gz PMECHTATDBSBLY-MRXNPFEDSA-N 0 0 286.350 3.509 20 10 CHCDRN CCC[C@H](C(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000236993899 520980501 /nfs/dbraw/zinc/98/05/01/520980501.db2.gz PPTAYQZEZHDSRT-SFHVURJKSA-N 0 0 296.414 3.511 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C=C(CC)CC ZINC000268597016 521687033 /nfs/dbraw/zinc/68/70/33/521687033.db2.gz CXGKVEODCJVFOS-UHFFFAOYSA-N 0 0 275.392 3.877 20 10 CHCDRN COc1cc(N[C@@H]2CCc3cccc(O)c32)cc(OC)c1C ZINC000296238592 522762477 /nfs/dbraw/zinc/76/24/77/522762477.db2.gz ARYKBEUGZQIQGK-CQSZACIVSA-N 0 0 299.370 3.817 20 10 CHCDRN CC[C@H](Nc1cc(CCOC)ccn1)c1ccccc1O ZINC000287391507 522765841 /nfs/dbraw/zinc/76/58/41/522765841.db2.gz IRPUUNYGKNTRLO-HNNXBMFYSA-N 0 0 286.375 3.539 20 10 CHCDRN COc1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000062747710 524154935 /nfs/dbraw/zinc/15/49/35/524154935.db2.gz BPUPEQRGQUJLDO-RYUDHWBXSA-N 0 0 289.350 3.952 20 10 CHCDRN Cc1cccc(CNc2ccc(F)c([C@H](C)O)c2)c1O ZINC000289910620 524442657 /nfs/dbraw/zinc/44/26/57/524442657.db2.gz XECCGXBWSHXVNZ-NSHDSACASA-N 0 0 275.323 3.505 20 10 CHCDRN Cc1cc(O)c(CNc2ccc(F)c([C@@H](C)O)c2)cc1C ZINC000285548909 525324811 /nfs/dbraw/zinc/32/48/11/525324811.db2.gz RJPWBNWGJDURJT-GFCCVEGCSA-N 0 0 289.350 3.814 20 10 CHCDRN C[C@H]([NH2+]Cc1ccn(C)c1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278356430 525468235 /nfs/dbraw/zinc/46/82/35/525468235.db2.gz BCNUDHVTEGRCJY-VIFPVBQESA-N 0 0 299.201 3.888 20 10 CHCDRN Cc1ccnc(Sc2ncc(C(C)(C)C)s2)n1 ZINC000301628580 525710973 /nfs/dbraw/zinc/71/09/73/525710973.db2.gz ICBJQPQIVZBARQ-UHFFFAOYSA-N 0 0 265.407 3.690 20 10 CHCDRN C[C@@H](O)CCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278973361 525759076 /nfs/dbraw/zinc/75/90/76/525759076.db2.gz CGPHPSMKYHZUPZ-RKDXNWHRSA-N 0 0 292.206 3.511 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278315976 526325486 /nfs/dbraw/zinc/32/54/86/526325486.db2.gz FRVAUSCVHVHZCA-SECBINFHSA-N 0 0 293.716 3.820 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000281072235 526325572 /nfs/dbraw/zinc/32/55/72/526325572.db2.gz IKPFOWGPAPKOKM-VIFPVBQESA-N 0 0 275.726 3.571 20 10 CHCDRN FC(F)(F)c1ccc(Sc2nccs2)nc1 ZINC000301076921 527684298 /nfs/dbraw/zinc/68/42/98/527684298.db2.gz HVIOCXINSPEQOK-UHFFFAOYSA-N 0 0 262.281 3.708 20 10 CHCDRN Nc1ccc(NC(=O)CC[C@H]2CCc3ccccc32)cc1 ZINC000884009266 1125459009 /nfs/dbraw/zinc/45/90/09/1125459009.db2.gz QWZYZWSBUHYPNE-CQSZACIVSA-N 0 0 280.371 3.718 20 10 CHCDRN CCC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800049305 1125466534 /nfs/dbraw/zinc/46/65/34/1125466534.db2.gz HMAPIULYZBKOCR-LBPRGKRZSA-N 0 0 294.826 3.603 20 10 CHCDRN C[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccccc1 ZINC001592706945 979181636 /nfs/dbraw/zinc/18/16/36/979181636.db2.gz OXYMNVWPWSBZEV-STQMWFEESA-N 0 0 299.370 3.545 20 10 CHCDRN CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000312436628 1120410991 /nfs/dbraw/zinc/41/09/91/1120410991.db2.gz BDJZZGRKKWHRJU-LBPRGKRZSA-N 0 0 291.288 3.694 20 10 CHCDRN CC[C@@H](CC(=O)N(C)c1ccc(N)cc1)C(C)(C)C ZINC000711189281 1121490548 /nfs/dbraw/zinc/49/05/48/1121490548.db2.gz ICCRZXPSUFDNNQ-LBPRGKRZSA-N 0 0 262.397 3.694 20 10 CHCDRN C[C@H]1CCC[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC001177240679 1121719461 /nfs/dbraw/zinc/71/94/61/1121719461.db2.gz QIUVQUGCTDJPKI-UWVGGRQHSA-N 0 0 271.763 3.853 20 10 CHCDRN COc1ccc(N(C)CC2(C(C)C)CC2)cc1F ZINC001180758395 1122012188 /nfs/dbraw/zinc/01/21/88/1122012188.db2.gz IDUFZLULJRZMLJ-UHFFFAOYSA-N 0 0 251.345 3.707 20 10 CHCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001182865564 1122192311 /nfs/dbraw/zinc/19/23/11/1122192311.db2.gz ZNUWZXZWKNAUGZ-UTUOFQBUSA-N 0 0 287.737 3.569 20 10 CHCDRN CCCCCCNC(=S)N(CC)Cc1ccccc1O ZINC001200950605 1123067764 /nfs/dbraw/zinc/06/77/64/1123067764.db2.gz IIICKZRLJGXZRW-UHFFFAOYSA-N 0 0 294.464 3.669 20 10 CHCDRN CCCN(CCC)C(=O)CSc1ncc(Cl)s1 ZINC000849999039 1123236224 /nfs/dbraw/zinc/23/62/24/1123236224.db2.gz VRPXBSFJIMGOHZ-UHFFFAOYSA-N 0 0 292.857 3.537 20 10 CHCDRN Clc1cnc(SCCCCCn2cccn2)s1 ZINC000849999616 1123236310 /nfs/dbraw/zinc/23/63/10/1123236310.db2.gz UYTKUNIMAFNXPV-UHFFFAOYSA-N 0 0 287.841 3.956 20 10 CHCDRN COC(C)(C)CCSc1ncc(Cl)s1 ZINC000850000136 1123236702 /nfs/dbraw/zinc/23/67/02/1123236702.db2.gz KMTFOLDAIAOWJC-UHFFFAOYSA-N 0 0 251.804 3.704 20 10 CHCDRN C[C@@H]([NH2+]C1CCSCC1)c1ccc(Cl)cc1[O-] ZINC000841749650 1132390521 /nfs/dbraw/zinc/39/05/21/1132390521.db2.gz PVMMCGVSCWGSJP-SECBINFHSA-N 0 0 271.813 3.592 20 10 CHCDRN O=C(NCc1ccccc1O)c1c(Cl)cccc1Cl ZINC000133937382 1125509964 /nfs/dbraw/zinc/50/99/64/1125509964.db2.gz HGFZYPNIILGPGH-UHFFFAOYSA-N 0 0 296.153 3.629 20 10 CHCDRN CCOc1cccc(C[N@@H+]2CCCCC[C@@H]2CC)c1O ZINC000135644535 1125593954 /nfs/dbraw/zinc/59/39/54/1125593954.db2.gz BNLKLFHULVBCKF-HNNXBMFYSA-N 0 0 277.408 3.946 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1c(C)noc1C ZINC000886556982 1125690012 /nfs/dbraw/zinc/69/00/12/1125690012.db2.gz OFZQENJGUIMNME-ZANVPECISA-N 0 0 292.354 3.938 20 10 CHCDRN C[C@H](NCc1nc(C2CC2)cs1)c1c(O)cccc1F ZINC000886551311 1125690763 /nfs/dbraw/zinc/69/07/63/1125690763.db2.gz GBUXJZAGZZBGNN-VIFPVBQESA-N 0 0 292.379 3.716 20 10 CHCDRN C[C@H](Nc1cccc(CCCO)c1)c1c(O)cccc1F ZINC000886588378 1125693941 /nfs/dbraw/zinc/69/39/41/1125693941.db2.gz PXEOTMRVILUJRX-LBPRGKRZSA-N 0 0 289.350 3.629 20 10 CHCDRN COCC[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1ccco1 ZINC000886587535 1125694394 /nfs/dbraw/zinc/69/43/94/1125694394.db2.gz ASIZMIWDSZJWSE-DGCLKSJQSA-N 0 0 293.338 3.553 20 10 CHCDRN C[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1c([O-])cccc1F ZINC000886626703 1125699353 /nfs/dbraw/zinc/69/93/53/1125699353.db2.gz JCCNHKWGFWGTHL-GFCCVEGCSA-N 0 0 288.366 3.555 20 10 CHCDRN C[C@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1c([O-])cccc1F ZINC000886619163 1125699444 /nfs/dbraw/zinc/69/94/44/1125699444.db2.gz VGXNAVZDGBQMTC-QPUJVOFHSA-N 0 0 292.181 3.766 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CCCC1(F)F)c1c([O-])cccc1F ZINC000886619235 1125699768 /nfs/dbraw/zinc/69/97/68/1125699768.db2.gz XGTYLASYNMFMJG-NXEZZACHSA-N 0 0 273.298 3.617 20 10 CHCDRN C[C@H]([NH2+]CC1(C)CC(F)(F)C1)c1c([O-])cccc1F ZINC000886649619 1125702917 /nfs/dbraw/zinc/70/29/17/1125702917.db2.gz DUFBBDOFGABNBJ-VIFPVBQESA-N 0 0 273.298 3.617 20 10 CHCDRN COc1cccc(CNc2cccc3ccc(C)nc32)c1O ZINC000237427052 1125709105 /nfs/dbraw/zinc/70/91/05/1125709105.db2.gz XPSIXNVWEWBJGP-UHFFFAOYSA-N 0 0 294.354 3.870 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1ccc(F)cc1[O-] ZINC000886731123 1125714134 /nfs/dbraw/zinc/71/41/34/1125714134.db2.gz VSJFDMYTVHZVPX-JSGCOSHPSA-N 0 0 293.382 3.531 20 10 CHCDRN COc1ccc2c(c1)CCCN2Cc1nc2ccccc2o1 ZINC000139586173 1125728933 /nfs/dbraw/zinc/72/89/33/1125728933.db2.gz NSYZUENOBRTJMY-UHFFFAOYSA-N 0 0 294.354 3.789 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)C(F)=C2CCC2)cc1 ZINC000819126976 1131234593 /nfs/dbraw/zinc/23/45/93/1131234593.db2.gz OKZAVFIAIHICNV-UHFFFAOYSA-N 0 0 290.382 3.557 20 10 CHCDRN COc1cc(F)cc(Nc2ccc3c(c2)CCCN3)c1 ZINC001159735587 1131236715 /nfs/dbraw/zinc/23/67/15/1131236715.db2.gz GIKSTFJHKSBPFS-UHFFFAOYSA-N 0 0 272.323 3.936 20 10 CHCDRN CC(C)c1ccccc1NC(=O)C1=CC(=O)CS1 ZINC000748841337 1130250519 /nfs/dbraw/zinc/25/05/19/1130250519.db2.gz QFJYRVGCVIYHMY-UHFFFAOYSA-N 0 0 261.346 3.829 20 10 CHCDRN CSCC[C@@H](C)[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000792165740 1130434946 /nfs/dbraw/zinc/43/49/46/1130434946.db2.gz KUOCDJIFMPFWRE-SECBINFHSA-N 0 0 291.819 3.758 20 10 CHCDRN Cc1ccc(C[N@@H+](C)Cc2cccc(Cl)c2[O-])o1 ZINC000179568588 1126830029 /nfs/dbraw/zinc/83/00/29/1126830029.db2.gz WXRUWBZQIHHKRL-UHFFFAOYSA-N 0 0 265.740 3.579 20 10 CHCDRN Nc1ccc(NC(=O)NC[C@@H]2CCC=CCCC2)cc1 ZINC000904500081 1126854057 /nfs/dbraw/zinc/85/40/57/1126854057.db2.gz JNPSQKLEXCNBGJ-CYBMUJFWSA-N 0 0 273.380 3.527 20 10 CHCDRN Nc1ccc(Cc2noc([C@H]3CC[C@@H]4C[C@@H]4CC3)n2)cc1 ZINC000904504255 1126854617 /nfs/dbraw/zinc/85/46/17/1126854617.db2.gz OOLFBKGKUIFWCW-BTTYYORXSA-N 0 0 283.375 3.536 20 10 CHCDRN Cc1cc(-c2nc(N(C)C)no2)c(C)n1-c1cccc(C)c1 ZINC000904662203 1126866074 /nfs/dbraw/zinc/86/60/74/1126866074.db2.gz RVQXROXVXBUTJE-UHFFFAOYSA-N 0 0 296.374 3.519 20 10 CHCDRN COCCCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185037557 1126898157 /nfs/dbraw/zinc/89/81/57/1126898157.db2.gz SSILRLYUBXCJTP-SECBINFHSA-N 0 0 292.206 3.776 20 10 CHCDRN CC[C@H](O)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185802305 1126902748 /nfs/dbraw/zinc/90/27/48/1126902748.db2.gz RZKLFMXPGDQSOK-IUCAKERBSA-N 0 0 292.206 3.511 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1ccncc1 ZINC000187734011 1126913625 /nfs/dbraw/zinc/91/36/25/1126913625.db2.gz VNUHODCIXZNUAX-IINYFYTJSA-N 0 0 292.329 3.867 20 10 CHCDRN C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1ccc(F)c(F)c1[O-] ZINC000187757969 1126913938 /nfs/dbraw/zinc/91/39/38/1126913938.db2.gz NINMBRJBWOVKEX-OTYXRUKQSA-N 0 0 287.375 3.607 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H]2C(C)C)c1 ZINC000781924248 1130748959 /nfs/dbraw/zinc/74/89/59/1130748959.db2.gz OMJIYXSJDKIEHK-ZDUSSCGKSA-N 0 0 298.224 3.693 20 10 CHCDRN CC(C(=O)N(C)Cc1ccc(N(C)C)cc1)=C1CCCC1 ZINC000267885109 1127007204 /nfs/dbraw/zinc/00/72/04/1127007204.db2.gz VEEOAHSBIKYYHX-UHFFFAOYSA-N 0 0 286.419 3.602 20 10 CHCDRN CC[C@H](CCO)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000268044514 1127011048 /nfs/dbraw/zinc/01/10/48/1127011048.db2.gz PSNZUCROEWQYLS-OAHLLOKOSA-N 0 0 299.414 3.557 20 10 CHCDRN C[C@@H](Nc1cccc(Cl)n1)c1ccc(N(C)C)cc1 ZINC000149780644 1127023916 /nfs/dbraw/zinc/02/39/16/1127023916.db2.gz WGWMYVZFFCRSFL-LLVKDONJSA-N 0 0 275.783 3.974 20 10 CHCDRN CC[C@H](c1ccccc1)N(CC)C(=O)Cc1ccc(N)cc1 ZINC000269226412 1127036679 /nfs/dbraw/zinc/03/66/79/1127036679.db2.gz MHUILZGUHUWBPT-GOSISDBHSA-N 0 0 296.414 3.811 20 10 CHCDRN CC1=C(C)C[C@](C)(C(=O)Nc2ccc(N)cc2)CC1 ZINC000911661257 1127085489 /nfs/dbraw/zinc/08/54/89/1127085489.db2.gz SHZAAWYKJOMZPD-MRXNPFEDSA-N 0 0 258.365 3.734 20 10 CHCDRN COc1ccc(C[N@H+]2[C@H](C)CCC[C@@H]2C)c([O-])c1Cl ZINC001236806537 1131012015 /nfs/dbraw/zinc/01/20/15/1131012015.db2.gz YBEXMRIPGVNWOW-PHIMTYICSA-N 0 0 283.799 3.817 20 10 CHCDRN C[C@H]1C[N@H+](Cc2c(O)ccc(F)c2Cl)C2(CC2)C1 ZINC001237127631 1131054008 /nfs/dbraw/zinc/05/40/08/1131054008.db2.gz DOOFEKLBPXGNKV-SECBINFHSA-N 0 0 269.747 3.559 20 10 CHCDRN CC(C)(C)c1cnc(SCCCCCO)s1 ZINC000164082440 1127152446 /nfs/dbraw/zinc/15/24/46/1127152446.db2.gz RWXGWQUQAVZRBB-UHFFFAOYSA-N 0 0 259.440 3.695 20 10 CHCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(C)CCCCC2)c1 ZINC000156402438 1127154841 /nfs/dbraw/zinc/15/48/41/1127154841.db2.gz MGYXUZZFUJQNLZ-LBPRGKRZSA-N 0 0 291.391 3.548 20 10 CHCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H](C)C1 ZINC001237619746 1131118243 /nfs/dbraw/zinc/11/82/43/1131118243.db2.gz DHGGESMSJXGKLH-NXEZZACHSA-N 0 0 271.763 3.805 20 10 CHCDRN C[C@@H]1C[N@H+](Cc2cc(F)c(Cl)cc2[O-])C2(CC2)C1 ZINC001237939810 1131154153 /nfs/dbraw/zinc/15/41/53/1131154153.db2.gz GHNVLNZZBSUEFV-VIFPVBQESA-N 0 0 269.747 3.559 20 10 CHCDRN CC[C@@H]([NH2+]Cc1nc(C)cs1)c1ccc(F)cc1[O-] ZINC000285784579 1127242938 /nfs/dbraw/zinc/24/29/38/1127242938.db2.gz UJVHWUNGEOSUAK-GFCCVEGCSA-N 0 0 280.368 3.537 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H](C)c1nccs1)c1ccc(F)cc1[O-] ZINC000286218299 1127263485 /nfs/dbraw/zinc/26/34/85/1127263485.db2.gz SFJMTPXMACTJIE-GXFFZTMASA-N 0 0 294.395 3.832 20 10 CHCDRN COc1ccc(O)c(CNc2cc(F)cc(Cl)c2)c1 ZINC000224494077 1127265206 /nfs/dbraw/zinc/26/52/06/1127265206.db2.gz HBASTXZCKRAGJB-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@H]1CCSC1)c1cccc(Cl)c1[O-] ZINC000287125925 1127290496 /nfs/dbraw/zinc/29/04/96/1127290496.db2.gz RJLMBEVAJQGCHF-GXFFZTMASA-N 0 0 285.840 3.839 20 10 CHCDRN Cc1ccc([C@H](C)[NH2+]CCCc2cccc(C)n2)c(O)c1 ZINC000287545673 1127309736 /nfs/dbraw/zinc/30/97/36/1127309736.db2.gz PNXFURWYRGADGO-HNNXBMFYSA-N 0 0 284.403 3.687 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1cccc(Cl)c1[O-] ZINC000287603186 1127310329 /nfs/dbraw/zinc/31/03/29/1127310329.db2.gz IRWJZCYFLLPKDF-WDMOLILDSA-N 0 0 283.799 3.654 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)CCOC)c1cccc(Cl)c1[O-] ZINC000287637101 1127310953 /nfs/dbraw/zinc/31/09/53/1127310953.db2.gz KSKKSZQSWLOBGH-MFKMUULPSA-N 0 0 271.788 3.511 20 10 CHCDRN CCOC1CC(CC[NH2+][C@H](CC)c2ccc(F)cc2[O-])C1 ZINC000287651999 1127311919 /nfs/dbraw/zinc/31/19/19/1127311919.db2.gz UZTGQEHBDLWUCN-LDZOIKDWSA-N 0 0 295.398 3.777 20 10 CHCDRN CC[C@H]([NH2+]Cc1ccoc1)c1cccc(Cl)c1[O-] ZINC000287886492 1127314376 /nfs/dbraw/zinc/31/43/76/1127314376.db2.gz YRMNSBSOBBAMSQ-ZDUSSCGKSA-N 0 0 265.740 3.880 20 10 CHCDRN CN(C(=O)CC1(C)CCCCC1)c1ccc(N)cc1 ZINC000877076197 1127361712 /nfs/dbraw/zinc/36/17/12/1127361712.db2.gz NUMZGNDQSBRFKX-UHFFFAOYSA-N 0 0 260.381 3.592 20 10 CHCDRN CCCC[C@@H](CC)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000157838060 1127397426 /nfs/dbraw/zinc/39/74/26/1127397426.db2.gz BEAWMQHYAGCVBV-CHWSQXEVSA-N 0 0 293.407 3.794 20 10 CHCDRN CCCC[C@H](CC)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000157838193 1127397431 /nfs/dbraw/zinc/39/74/31/1127397431.db2.gz BEAWMQHYAGCVBV-OLZOCXBDSA-N 0 0 293.407 3.794 20 10 CHCDRN Cc1cc(C(=O)N2CCCC2)c(C)n1-c1cccc(C)c1 ZINC000046467093 1127408214 /nfs/dbraw/zinc/40/82/14/1127408214.db2.gz RBVUQNUDZFJNPY-UHFFFAOYSA-N 0 0 282.387 3.639 20 10 CHCDRN [O-]c1c(F)cccc1C[NH+]1CC(C2CCCCC2)C1 ZINC001308808214 1127488429 /nfs/dbraw/zinc/48/84/29/1127488429.db2.gz QLXZCNYUZNCZAU-UHFFFAOYSA-N 0 0 263.356 3.543 20 10 CHCDRN CCc1noc(C)c1C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000293669467 1127512147 /nfs/dbraw/zinc/51/21/47/1127512147.db2.gz JIVDTYSWGIFDJF-AWEZNQCLSA-N 0 0 292.354 3.631 20 10 CHCDRN C[C@@H]([NH2+]CC1CC(F)(F)C1)c1cc(Cl)ccc1O ZINC000293678739 1127512417 /nfs/dbraw/zinc/51/24/17/1127512417.db2.gz NBQNIBYHFMFXAZ-MRVPVSSYSA-N 0 0 275.726 3.742 20 10 CHCDRN CC[C@@H]([NH2+]CCC1(COC)CCC1)c1ccc(F)cc1[O-] ZINC000293759312 1127518017 /nfs/dbraw/zinc/51/80/17/1127518017.db2.gz RDMVUTDLHKYTFJ-OAHLLOKOSA-N 0 0 295.398 3.779 20 10 CHCDRN COc1cccc(O)c1CN(C)c1cccc(SC)c1 ZINC000761220740 1127543677 /nfs/dbraw/zinc/54/36/77/1127543677.db2.gz KBEKJWVFWJPVEJ-UHFFFAOYSA-N 0 0 289.400 3.759 20 10 CHCDRN COc1cccc(O)c1CN(C)c1ccc(SC)cc1 ZINC000761223359 1127549110 /nfs/dbraw/zinc/54/91/10/1127549110.db2.gz PVQXERUUZNDOIE-UHFFFAOYSA-N 0 0 289.400 3.759 20 10 CHCDRN Cc1cc(C)c([C@@H](C)Nc2ccc(CCO)cc2)c(O)c1 ZINC000294647473 1127588688 /nfs/dbraw/zinc/58/86/88/1127588688.db2.gz GNNRFJUBGQNXJJ-CQSZACIVSA-N 0 0 285.387 3.717 20 10 CHCDRN C[C@H]1CCC[C@H]([NH2+]Cc2c([O-])cccc2F)CC1 ZINC001308947533 1127598024 /nfs/dbraw/zinc/59/80/24/1127598024.db2.gz GDGPWNYCHZXVBX-RYUDHWBXSA-N 0 0 251.345 3.590 20 10 CHCDRN CC[C@H]([NH2+]CCc1ncccc1C)c1ccc(F)cc1[O-] ZINC000296462489 1127672100 /nfs/dbraw/zinc/67/21/00/1127672100.db2.gz NJNQYRDKEKYFNB-HNNXBMFYSA-N 0 0 288.366 3.518 20 10 CHCDRN Oc1cccc2c1[C@H](Nc1ccc([C@@H]3CCOC3)cc1)CC2 ZINC000297485286 1127697972 /nfs/dbraw/zinc/69/79/72/1127697972.db2.gz ZOSFUNWFIVRHIH-NVXWUHKLSA-N 0 0 295.382 3.996 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000230407940 1127751942 /nfs/dbraw/zinc/75/19/42/1127751942.db2.gz IXDZFOJUWGSKKR-WOPDTQHZSA-N 0 0 251.345 3.618 20 10 CHCDRN COc1ccc(N[C@@H](C)c2ccc(F)cc2O)cc1F ZINC000062745790 1127772642 /nfs/dbraw/zinc/77/26/42/1127772642.db2.gz DRPDXCWXUXFCPO-VIFPVBQESA-N 0 0 279.286 3.852 20 10 CHCDRN C[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000230662388 1127771874 /nfs/dbraw/zinc/77/18/74/1127771874.db2.gz YUECEISMJUNZPU-QWRGUYRKSA-N 0 0 298.224 3.681 20 10 CHCDRN C[C@H]([NH2+]CCc1cc(F)cc(F)c1)c1ccc(F)cc1[O-] ZINC000062748473 1127773848 /nfs/dbraw/zinc/77/38/48/1127773848.db2.gz KFAOWULNLYWXSE-JTQLQIEISA-N 0 0 295.304 3.703 20 10 CHCDRN [O-]c1c(Cl)cccc1CN1CCC[C@H]1c1nccs1 ZINC000375020789 1127925243 /nfs/dbraw/zinc/92/52/43/1127925243.db2.gz NOTQJYQPRIBWTB-LBPRGKRZSA-N 0 0 294.807 3.839 20 10 CHCDRN CC(C)(C)c1nnc(NCc2c(O)cccc2Cl)s1 ZINC000777511617 1128096949 /nfs/dbraw/zinc/09/69/49/1128096949.db2.gz FSHKLAUVVAGTSE-UHFFFAOYSA-N 0 0 297.811 3.807 20 10 CHCDRN CCOc1ccc(CNc2cc(C(C)C)on2)c(O)c1 ZINC000777519915 1128098700 /nfs/dbraw/zinc/09/87/00/1128098700.db2.gz RRBUHOJGTFVPMC-UHFFFAOYSA-N 0 0 276.336 3.514 20 10 CHCDRN CCOC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC000914139821 1128126598 /nfs/dbraw/zinc/12/65/98/1128126598.db2.gz JOTKPEFYIFQWPV-UHFFFAOYSA-N 0 0 270.288 3.984 20 10 CHCDRN Cc1nc(CC(C)C)c(NC(=O)C2=CC(=O)CS2)s1 ZINC000761602119 1128163327 /nfs/dbraw/zinc/16/33/27/1128163327.db2.gz KTEGWEIZTFMDAH-UHFFFAOYSA-N 0 0 296.417 3.669 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000926946700 1128204771 /nfs/dbraw/zinc/20/47/71/1128204771.db2.gz FJSGTEIEFVSHTR-MATHAZKKSA-N 0 0 295.251 3.519 20 10 CHCDRN Cc1cc(F)c(CN[C@@H](C)c2c(O)cccc2F)c(F)c1 ZINC000927092431 1128216677 /nfs/dbraw/zinc/21/66/77/1128216677.db2.gz IANYWMAEKBJESV-JTQLQIEISA-N 0 0 295.304 3.969 20 10 CHCDRN C[C@@H](Nc1ccc2c(c1)ncn2C)c1ccc(N(C)C)cc1 ZINC000777693397 1128242894 /nfs/dbraw/zinc/24/28/94/1128242894.db2.gz JVEDCFZXLPMTPF-CYBMUJFWSA-N 0 0 294.402 3.812 20 10 CHCDRN Cc1ccc(/C=C/C(=O)N2C[C@H](C)c3ccccc32)cn1 ZINC000777845998 1128291709 /nfs/dbraw/zinc/29/17/09/1128291709.db2.gz IPUSIUOWMZPDPL-LXKVQUBZSA-N 0 0 278.355 3.554 20 10 CHCDRN Cc1ccc(/C=C/C(=O)N2C[C@@H](C)c3ccccc32)cn1 ZINC000777846000 1128291848 /nfs/dbraw/zinc/29/18/48/1128291848.db2.gz IPUSIUOWMZPDPL-WTNCMQEWSA-N 0 0 278.355 3.554 20 10 CHCDRN C[C@H]1CC/C(=C\C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000762811698 1128318826 /nfs/dbraw/zinc/31/88/26/1128318826.db2.gz HWDSOMHQEKRILL-UQRISPGASA-N 0 0 299.414 3.634 20 10 CHCDRN CC(C)C(C[NH2+]Cc1cccc(F)c1[O-])C(C)C ZINC000229533024 1128344835 /nfs/dbraw/zinc/34/48/35/1128344835.db2.gz PLGLHHFVWKXWSD-UHFFFAOYSA-N 0 0 253.361 3.549 20 10 CHCDRN CCc1nc2sccc2c(N(C)Cc2ccccc2O)n1 ZINC000089635580 1128406451 /nfs/dbraw/zinc/40/64/51/1128406451.db2.gz HOJPRRSPFXRWMW-UHFFFAOYSA-N 0 0 299.399 3.596 20 10 CHCDRN CC(C)=C[C@@H]1[C@@H](C(=O)N(C)Cc2ccccc2O)C1(C)C ZINC000917310048 1128493709 /nfs/dbraw/zinc/49/37/09/1128493709.db2.gz HSZHUHZLSQRJFE-ZBFHGGJFSA-N 0 0 287.403 3.589 20 10 CHCDRN O=C(COc1ccc(Cl)cc1)CSc1nccs1 ZINC000154643994 1128534323 /nfs/dbraw/zinc/53/43/23/1128534323.db2.gz XFXURXSIXCXNON-UHFFFAOYSA-N 0 0 299.804 3.537 20 10 CHCDRN CCC[C@H](NC(=O)Cc1ccc(N)cc1)C1CCCCC1 ZINC000155822909 1128615498 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ZINC000647163975 1118620755 /nfs/dbraw/zinc/62/07/55/1118620755.db2.gz ABPQEJBOLVHZSC-UHFFFAOYSA-N 0 0 282.343 3.624 20 10 CHCDRN C[C@@H](F)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000393508017 1118807299 /nfs/dbraw/zinc/80/72/99/1118807299.db2.gz YARRTRAMDBNUSF-SSDOTTSWSA-N 0 0 266.143 3.537 20 10 CHCDRN CN(Cc1nccs1)Cc1c(O)ccc2ccccc21 ZINC000074724487 1119018291 /nfs/dbraw/zinc/01/82/91/1119018291.db2.gz SGXACZDOAULNMN-UHFFFAOYSA-N 0 0 284.384 3.634 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)[C@H](c1ccccc1)C1CC1 ZINC000158078640 1119019190 /nfs/dbraw/zinc/01/91/90/1119019190.db2.gz IBMJPCAZBAAWRM-GOSISDBHSA-N 0 0 295.382 3.544 20 10 CHCDRN Cc1ncsc1/C=C\C(=O)N1CC2(CC2)c2ccccc21 ZINC000588519147 1119083989 /nfs/dbraw/zinc/08/39/89/1119083989.db2.gz AFJASVKUHHOYCP-SREVYHEPSA-N 0 0 296.395 3.543 20 10 CHCDRN CCCc1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180922924 1128822081 /nfs/dbraw/zinc/82/20/81/1128822081.db2.gz ONZADJNPSWGSAM-PKNBQFBNSA-N 0 0 297.354 3.702 20 10 CHCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC001140583402 1119151800 /nfs/dbraw/zinc/15/18/00/1119151800.db2.gz FFTWVXNLMWOGGW-OAHLLOKOSA-N 0 0 275.298 3.617 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccncc1C ZINC000120500371 1119241327 /nfs/dbraw/zinc/24/13/27/1119241327.db2.gz CJIZDPDTTGDXNH-UHFFFAOYSA-N 0 0 299.374 3.540 20 10 CHCDRN CCOc1cccc(CNc2cc(C)cc(F)c2)c1O ZINC000091510568 1119263994 /nfs/dbraw/zinc/26/39/94/1119263994.db2.gz CACQMRKVJBODHB-UHFFFAOYSA-N 0 0 275.323 3.851 20 10 CHCDRN CCCC1(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000224910046 1119349126 /nfs/dbraw/zinc/34/91/26/1119349126.db2.gz RVKMIBUPNGPPED-UHFFFAOYSA-N 0 0 253.773 3.716 20 10 CHCDRN Clc1cnc(NCCCSc2nccs2)s1 ZINC000309519633 1119414230 /nfs/dbraw/zinc/41/42/30/1119414230.db2.gz SWLMBCUVPMBGIU-UHFFFAOYSA-N 0 0 291.854 3.847 20 10 CHCDRN C[N@H+](Cc1ccco1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000162160769 1119499322 /nfs/dbraw/zinc/49/93/22/1119499322.db2.gz OIIGGHLZOUZUBS-UHFFFAOYSA-N 0 0 286.158 3.924 20 10 CHCDRN 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COc1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000311823600 1120109134 /nfs/dbraw/zinc/10/91/34/1120109134.db2.gz FCJFBRXBGXEHLK-CQSZACIVSA-N 0 0 255.317 3.500 20 10 CHCDRN Cc1ccc(F)cc1N[C@H]1CCc2cccc(O)c21 ZINC000311834268 1120109909 /nfs/dbraw/zinc/10/99/09/1120109909.db2.gz GPPAOEGCHSMTKF-ZDUSSCGKSA-N 0 0 257.308 3.939 20 10 CHCDRN COc1cccc(CN2CC[C@@H](C)c3ccccc32)c1O ZINC000314270138 1120182060 /nfs/dbraw/zinc/18/20/60/1120182060.db2.gz XUYNZBMYTRMMOO-CYBMUJFWSA-N 0 0 283.371 3.915 20 10 CHCDRN CNc1ccccc1N[C@@H]1CCCc2cccnc21 ZINC001168658690 1120192522 /nfs/dbraw/zinc/19/25/22/1120192522.db2.gz HYTVACOGEOSHNA-OAHLLOKOSA-N 0 0 253.349 3.613 20 10 CHCDRN Cc1ccc([C@@H](C)Nc2ccc3c(c2)N(C)CCO3)c(O)c1 ZINC000186458517 1120196672 /nfs/dbraw/zinc/19/66/72/1120196672.db2.gz DGOSYOUSBOYIPK-CYBMUJFWSA-N 0 0 298.386 3.702 20 10 CHCDRN CNc1ccccc1NC1CC(C)(C)N(O)C(C)(C)C1 ZINC001167721276 1120207171 /nfs/dbraw/zinc/20/71/71/1120207171.db2.gz RQEOIGCLZZYTHA-UHFFFAOYSA-N 0 0 277.412 3.551 20 10 CHCDRN Clc1cnc(CSc2nccs2)c(Cl)n1 ZINC000779368052 1128903753 /nfs/dbraw/zinc/90/37/53/1128903753.db2.gz HSZRLDMHYQAXDJ-UHFFFAOYSA-N 0 0 278.189 3.532 20 10 CHCDRN Cc1cnc(NCc2cc(Br)ccc2O)s1 ZINC000309717904 1120350702 /nfs/dbraw/zinc/35/07/02/1120350702.db2.gz USDBOVSEDMFDHH-UHFFFAOYSA-N 0 0 299.193 3.532 20 10 CHCDRN COc1ccc(CNc2ccc(C3CC3)cc2)c(O)c1OC ZINC000893286620 1120391928 /nfs/dbraw/zinc/39/19/28/1120391928.db2.gz UWBGYWYYYDESQG-UHFFFAOYSA-N 0 0 299.370 3.899 20 10 CHCDRN Cc1ccc([C@H](C)Nc2ccc3c(c2)N(C)CCO3)c(O)c1 ZINC000186458528 1120398983 /nfs/dbraw/zinc/39/89/83/1120398983.db2.gz DGOSYOUSBOYIPK-ZDUSSCGKSA-N 0 0 298.386 3.702 20 10 CHCDRN COc1cc(C)c(NCc2cc(F)ccc2O)cc1F ZINC000187482548 1120423281 /nfs/dbraw/zinc/42/32/81/1120423281.db2.gz ZARSUGQQKYYMQV-UHFFFAOYSA-N 0 0 279.286 3.600 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCC[C@H]1C ZINC000187682224 1120432397 /nfs/dbraw/zinc/43/23/97/1120432397.db2.gz FSWRWJPOTZQADE-HUUCEWRRSA-N 0 0 289.419 3.957 20 10 CHCDRN CC(C)(C)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1 ZINC000019398911 1120494748 /nfs/dbraw/zinc/49/47/48/1120494748.db2.gz OXRJCCDCCHKHJU-UHFFFAOYSA-N 0 0 282.387 3.748 20 10 CHCDRN COc1ccc(N[C@@H](C)c2ccccc2O)cc1OC ZINC000019908637 1120544518 /nfs/dbraw/zinc/54/45/18/1120544518.db2.gz SVXOTWCVUXISKF-NSHDSACASA-N 0 0 273.332 3.583 20 10 CHCDRN CC[C@@H](Nc1cccc(OC)c1)c1ccccc1O ZINC000019964137 1120554434 /nfs/dbraw/zinc/55/44/34/1120554434.db2.gz JPIZKESZRURYCC-OAHLLOKOSA-N 0 0 257.333 3.964 20 10 CHCDRN CCCC[C@](C)(F)C(=O)NCc1ccc(N(C)C)cc1C ZINC001126004676 1120697017 /nfs/dbraw/zinc/69/70/17/1120697017.db2.gz JAECWJNOMVRJNN-KRWDZBQOSA-N 0 0 294.414 3.596 20 10 CHCDRN COc1ccc(N(C)Cc2nccn2C2CC2)cc1Cl ZINC000893463720 1120780708 /nfs/dbraw/zinc/78/07/08/1120780708.db2.gz YWQCTFXMOXLEAX-UHFFFAOYSA-N 0 0 291.782 3.516 20 10 CHCDRN C[C@H]([NH2+]CC1(C2CC2)CCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756770373 1120821756 /nfs/dbraw/zinc/82/17/56/1120821756.db2.gz UTPOOGOSMKINJT-NSHDSACASA-N 0 0 290.363 3.531 20 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281.808 3.959 20 10 CHCDRN CC1(C)C[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000226254120 1121152155 /nfs/dbraw/zinc/15/21/55/1121152155.db2.gz HYUVOASEELREAQ-SECBINFHSA-N 0 0 274.191 3.835 20 10 CHCDRN COc1ccc(Nc2cccc(O)c2O)cc1C(F)(F)F ZINC001175071702 1121173014 /nfs/dbraw/zinc/17/30/14/1121173014.db2.gz XRWOIBBOPMXYDX-UHFFFAOYSA-N 0 0 299.248 3.869 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@H]1CC1(F)F ZINC000701945183 1121174254 /nfs/dbraw/zinc/17/42/54/1121174254.db2.gz PWIZMRTWMZEGSQ-QMMMGPOBSA-N 0 0 296.144 3.834 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000702548629 1121205097 /nfs/dbraw/zinc/20/50/97/1121205097.db2.gz WBBUMAHDSKEPCQ-ONGXEEELSA-N 0 0 273.298 3.760 20 10 CHCDRN COc1ccc(F)c(NCc2cc(Cl)ccc2O)c1 ZINC000094854822 1121232961 /nfs/dbraw/zinc/23/29/61/1121232961.db2.gz YCGATIBBQCAZOL-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN CC(C)Cc1ccc(N(CCO)c2ccc(N)cc2)cc1 ZINC001175296720 1121261233 /nfs/dbraw/zinc/26/12/33/1121261233.db2.gz SDCISKCUZZIMKD-UHFFFAOYSA-N 0 0 284.403 3.598 20 10 CHCDRN Oc1cccc(Nc2c(F)c(F)c(F)c(F)c2F)c1O ZINC001175385392 1121309220 /nfs/dbraw/zinc/30/92/20/1121309220.db2.gz OGBXIZABWKCBEG-UHFFFAOYSA-N 0 0 291.175 3.537 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH+]1C2CCCC1CCC2 ZINC000707154368 1121452102 /nfs/dbraw/zinc/45/21/02/1121452102.db2.gz FFBBHHYZIDCUCW-UHFFFAOYSA-N 0 0 265.784 3.953 20 10 CHCDRN CCCCc1ccc(CC(=O)Nc2ccc(N)cc2)cc1 ZINC000236898051 1121469386 /nfs/dbraw/zinc/46/93/86/1121469386.db2.gz IKJHYLORWWZBQC-UHFFFAOYSA-N 0 0 282.387 3.793 20 10 CHCDRN CCc1cccc(CNc2ccc(C)nc2C)c1O ZINC000709402005 1121471113 /nfs/dbraw/zinc/47/11/13/1121471113.db2.gz KODFRIOPAGYHQD-UHFFFAOYSA-N 0 0 256.349 3.579 20 10 CHCDRN C[C@H](CC1CCC1)[NH2+]Cc1cccc(Br)c1[O-] ZINC000710190557 1121474630 /nfs/dbraw/zinc/47/46/30/1121474630.db2.gz NTKCFXWZXFLRHW-SNVBAGLBSA-N 0 0 298.224 3.823 20 10 CHCDRN CN(c1ccc(N)cc1)c1cccc2c1ccn2C ZINC001175867293 1121485603 /nfs/dbraw/zinc/48/56/03/1121485603.db2.gz FHEPYRBSGVQYBB-UHFFFAOYSA-N 0 0 251.333 3.528 20 10 CHCDRN CC1(C)C[C@H](O)c2cccc(NCc3ccccc3O)c2O1 ZINC000922919791 1121486930 /nfs/dbraw/zinc/48/69/30/1121486930.db2.gz KAMYEDVAIXYKHO-INIZCTEOSA-N 0 0 299.370 3.599 20 10 CHCDRN CCN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccccc1 ZINC000758350097 1121537542 /nfs/dbraw/zinc/53/75/42/1121537542.db2.gz JSBYENDUFFITCB-LUAWRHEFSA-N 0 0 286.762 3.801 20 10 CHCDRN Cc1ccc(NC2=CCOCC2)c(C(=O)c2ccccc2)c1 ZINC001176146325 1121549659 /nfs/dbraw/zinc/54/96/59/1121549659.db2.gz SVXDCSQWWHWBCG-UHFFFAOYSA-N 0 0 293.366 3.942 20 10 CHCDRN Cc1cccc2ncnc(NCc3ccc(N(C)C)cc3)c12 ZINC000080778047 1128993365 /nfs/dbraw/zinc/99/33/65/1128993365.db2.gz RMMGNNIDBKNGCW-UHFFFAOYSA-N 0 0 292.386 3.616 20 10 CHCDRN COc1ccc(C)cc1NCc1cc(C)cc(OC)c1O ZINC000894116541 1121562427 /nfs/dbraw/zinc/56/24/27/1121562427.db2.gz TZEDHFZXUKXWQY-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN CCc1cc(N(CCO)c2ccc(N)cc2)ccc1Cl ZINC001176391883 1121611402 /nfs/dbraw/zinc/61/14/02/1121611402.db2.gz WOEZANXWLNCGEP-UHFFFAOYSA-N 0 0 290.794 3.615 20 10 CHCDRN Cc1nocc1COc1ccc2c(c1)c(C)c(C)n2C ZINC000664097022 1121680823 /nfs/dbraw/zinc/68/08/23/1121680823.db2.gz AHXQAVNPLWIMEZ-UHFFFAOYSA-N 0 0 270.332 3.671 20 10 CHCDRN Nc1ccc(Nc2ccc(F)c(Cl)c2F)cc1 ZINC001213205546 1121718329 /nfs/dbraw/zinc/71/83/29/1121718329.db2.gz KMXJNERYSLUTFM-UHFFFAOYSA-N 0 0 254.667 3.944 20 10 CHCDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1ccc(C)cc1 ZINC000729313404 1121774556 /nfs/dbraw/zinc/77/45/56/1121774556.db2.gz PWIFYDFNAQPQLN-RMKNXTFCSA-N 0 0 284.334 3.595 20 10 CHCDRN CCC/C=C\C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731346746 1121865092 /nfs/dbraw/zinc/86/50/92/1121865092.db2.gz SVPIXDAZYFFTSR-HJWRWDBZSA-N 0 0 292.398 3.644 20 10 CHCDRN CCc1noc(-c2cc(C)n(-c3ccc(F)cc3)c2C)n1 ZINC000731793388 1121883140 /nfs/dbraw/zinc/88/31/40/1121883140.db2.gz OGJXQSZZOZZTJU-UHFFFAOYSA-N 0 0 285.322 3.846 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)c1ccccc1C ZINC000731809467 1121887362 /nfs/dbraw/zinc/88/73/62/1121887362.db2.gz VATZORJNDUKYQH-UHFFFAOYSA-N 0 0 283.371 3.753 20 10 CHCDRN O=C(Nc1ccc(C(F)(F)F)cc1)C1=CC(=O)CS1 ZINC000731867055 1121889569 /nfs/dbraw/zinc/88/95/69/1121889569.db2.gz CDDRLDQSAPLJLF-UHFFFAOYSA-N 0 0 287.262 3.725 20 10 CHCDRN O=C(NCc1csc2ccccc12)C1=CC(=O)CS1 ZINC000732272228 1121914648 /nfs/dbraw/zinc/91/46/48/1121914648.db2.gz OFSWSSOROYPFMG-UHFFFAOYSA-N 0 0 289.381 3.598 20 10 CHCDRN CCCC[C@H]1CCC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000732285043 1121915589 /nfs/dbraw/zinc/91/55/89/1121915589.db2.gz OQGOEIRIRATYLN-JQWIXIFHSA-N 0 0 267.394 3.542 20 10 CHCDRN CC[C@@H](NC(=O)C1=CC(=O)CS1)C1CCCCC1 ZINC000732283246 1121916805 /nfs/dbraw/zinc/91/68/05/1121916805.db2.gz FRSPLKIBOJBZOS-GFCCVEGCSA-N 0 0 267.394 3.542 20 10 CHCDRN Oc1cc(F)c(F)cc1CN1CC[C@@H]1c1cccc(F)c1 ZINC001179855232 1121917435 /nfs/dbraw/zinc/91/74/35/1121917435.db2.gz OXKYALCJAWHVHK-OAHLLOKOSA-N 0 0 293.288 3.757 20 10 CHCDRN C[C@H](Cc1ccsc1)[N@H+](C)Cc1cccc(F)c1[O-] ZINC001180057489 1121944384 /nfs/dbraw/zinc/94/43/84/1121944384.db2.gz GEMNJVSVENPUMB-LLVKDONJSA-N 0 0 279.380 3.656 20 10 CHCDRN CC[C@H](C)C[N@H+](C)Cc1c(O)cc(C)cc1Cl ZINC001180262412 1121969590 /nfs/dbraw/zinc/96/95/90/1121969590.db2.gz UOJJKTUMZMTSDD-JTQLQIEISA-N 0 0 255.789 3.832 20 10 CHCDRN COCCCC1(CN2CCc3cc(OC)ccc32)CCC1 ZINC001180297157 1121977127 /nfs/dbraw/zinc/97/71/27/1121977127.db2.gz RANJOYRFWGNWIL-UHFFFAOYSA-N 0 0 289.419 3.655 20 10 CHCDRN COc1ccc2c(c1)CCN2Cc1ccc2c(c1)C[C@H](C)O2 ZINC001180297514 1121977535 /nfs/dbraw/zinc/97/75/35/1121977535.db2.gz ZZCZEDGBVNFMDC-ZDUSSCGKSA-N 0 0 295.382 3.581 20 10 CHCDRN C[N@H+](Cc1ccc(F)c(F)c1[O-])[C@@H]1CCc2ccccc21 ZINC001180531295 1121994652 /nfs/dbraw/zinc/99/46/52/1121994652.db2.gz FPULXODYWFDPIZ-OAHLLOKOSA-N 0 0 289.325 3.790 20 10 CHCDRN CCC[C@](C)(NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC001180681220 1122008302 /nfs/dbraw/zinc/00/83/02/1122008302.db2.gz FBXIBIOGDQEWQZ-SFHVURJKSA-N 0 0 299.370 3.543 20 10 CHCDRN Cc1noc(C)c1COc1ccc2c(c1)c(C)c(C)n2C ZINC000421208009 1122080867 /nfs/dbraw/zinc/08/08/67/1122080867.db2.gz XDFVRVVIRCNICG-UHFFFAOYSA-N 0 0 284.359 3.979 20 10 CHCDRN COc1cccc(NCc2c(O)cccc2Cl)c1F ZINC000689964859 1122106562 /nfs/dbraw/zinc/10/65/62/1122106562.db2.gz INHCTAASRHSOIQ-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CC=CCC2)cc1 ZINC000079390000 1129032459 /nfs/dbraw/zinc/03/24/59/1129032459.db2.gz PLGXFAYEXMBCGB-INIZCTEOSA-N 0 0 286.419 3.505 20 10 CHCDRN CO[C@H](C)CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774168049 1122137150 /nfs/dbraw/zinc/13/71/50/1122137150.db2.gz FMQJEXFKHCKZNR-RKDXNWHRSA-N 0 0 292.206 3.775 20 10 CHCDRN CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000271786851 1122175177 /nfs/dbraw/zinc/17/51/77/1122175177.db2.gz FWMQCCHQOIMKPX-JSGCOSHPSA-N 0 0 297.826 3.729 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000273528122 1122237943 /nfs/dbraw/zinc/23/79/43/1122237943.db2.gz VVBMXAJOQJMKTF-DETPVDSQSA-N 0 0 295.398 3.776 20 10 CHCDRN CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC001184265013 1122266107 /nfs/dbraw/zinc/26/61/07/1122266107.db2.gz NWFSFIIGWAQVCJ-JSGCOSHPSA-N 0 0 267.800 3.960 20 10 CHCDRN Fc1cccc2nc(Sc3nccs3)oc21 ZINC001184983629 1122302715 /nfs/dbraw/zinc/30/27/15/1122302715.db2.gz WRKNCIZVQJZVDR-UHFFFAOYSA-N 0 0 252.295 3.575 20 10 CHCDRN C[C@@H](NC(=O)N[C@@H](C)C1CCCCC1)c1ccccc1O ZINC001186404693 1122389545 /nfs/dbraw/zinc/38/95/45/1122389545.db2.gz NWANDBBYNWGDOO-QWHCGFSZSA-N 0 0 290.407 3.721 20 10 CHCDRN Oc1ccc(Cl)cc1CN1CCC[C@H](F)C(F)(F)C1 ZINC001203651766 1122416903 /nfs/dbraw/zinc/41/69/03/1122416903.db2.gz UIHGUDYCIYRKLC-LBPRGKRZSA-N 0 0 293.716 3.615 20 10 CHCDRN O=C(Nc1ccc(F)c(Cl)c1)Nc1cccc(O)c1O ZINC001187699909 1122439568 /nfs/dbraw/zinc/43/95/68/1122439568.db2.gz NETRRRPHTQSDMR-UHFFFAOYSA-N 0 0 296.685 3.534 20 10 CHCDRN Oc1ccc(Cl)c(F)c1CNc1cnc2[nH]ccc2c1 ZINC001203676441 1122455764 /nfs/dbraw/zinc/45/57/64/1122455764.db2.gz MRTQUGZJNASORW-UHFFFAOYSA-N 0 0 291.713 3.625 20 10 CHCDRN COCc1ccc(NCc2cc(Cl)cc(F)c2O)cc1 ZINC000775181863 1122469622 /nfs/dbraw/zinc/46/96/22/1122469622.db2.gz WZPNPVFRSKCBEG-UHFFFAOYSA-N 0 0 295.741 3.943 20 10 CHCDRN C[C@H](CC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000827986838 1122489022 /nfs/dbraw/zinc/48/90/22/1122489022.db2.gz SQCPUQCHTQHJBC-KGLIPLIRSA-N 0 0 283.371 3.763 20 10 CHCDRN Cc1ccccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775406451 1122552963 /nfs/dbraw/zinc/55/29/63/1122552963.db2.gz SOOPKCZBTJPYIW-AWEZNQCLSA-N 0 0 297.402 3.944 20 10 CHCDRN Cc1ccc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)o1 ZINC001203293974 1122647365 /nfs/dbraw/zinc/64/73/65/1122647365.db2.gz NIDKSNGKAIXIRZ-UHFFFAOYSA-N 0 0 284.403 3.820 20 10 CHCDRN CN(C)c1ccc(CN(C)C(=O)OC2CCCCC2)cc1 ZINC001193624843 1122702260 /nfs/dbraw/zinc/70/22/60/1122702260.db2.gz QDEIXTZEQDQJMC-UHFFFAOYSA-N 0 0 290.407 3.654 20 10 CHCDRN C[C@H](NC(=O)OC1CCCCC1)c1ccc(N(C)C)cc1 ZINC001193651664 1122706870 /nfs/dbraw/zinc/70/68/70/1122706870.db2.gz WQBBXJAAHZISCF-ZDUSSCGKSA-N 0 0 290.407 3.873 20 10 CHCDRN CCCC[C@@H](CC)COC(=O)NCc1ccc(O)cc1O ZINC001193972762 1122732680 /nfs/dbraw/zinc/73/26/80/1122732680.db2.gz IOKMKNRJOCRIAW-GFCCVEGCSA-N 0 0 295.379 3.540 20 10 CHCDRN COc1ccc(F)cc1N[C@@H](C)c1ccccc1O ZINC000183667745 1129078650 /nfs/dbraw/zinc/07/86/50/1129078650.db2.gz CHPHZJDEVFRLSQ-JTQLQIEISA-N 0 0 261.296 3.713 20 10 CHCDRN Cc1csc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])n1 ZINC000080271797 1129079506 /nfs/dbraw/zinc/07/95/06/1129079506.db2.gz GUZGBVKJYWZCGU-UWVGGRQHSA-N 0 0 280.368 3.708 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)OCCC(C)C ZINC001194870694 1122813795 /nfs/dbraw/zinc/81/37/95/1122813795.db2.gz WFGIFOYNIDOIJB-UHFFFAOYSA-N 0 0 292.423 3.757 20 10 CHCDRN CC(C)[C@H](Sc1nccs1)C(=O)N1CCCC[C@H]1C ZINC000299049692 1122827288 /nfs/dbraw/zinc/82/72/88/1122827288.db2.gz QAJIHDWAQOUBBQ-NEPJUHHUSA-N 0 0 298.477 3.661 20 10 CHCDRN CCCC[N@H+](CC)Cc1cc(Cl)cc(F)c1[O-] ZINC000775639513 1122847962 /nfs/dbraw/zinc/84/79/62/1122847962.db2.gz UHOYFKBBVHASJZ-UHFFFAOYSA-N 0 0 259.752 3.807 20 10 CHCDRN Cc1cccc2c1N(Cc1ccc(N(C)C)cc1)CC2 ZINC001167968190 1122848278 /nfs/dbraw/zinc/84/82/78/1122848278.db2.gz QGWAUDSFFKKJIV-UHFFFAOYSA-N 0 0 266.388 3.624 20 10 CHCDRN CCC[C@@H](C)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000775642084 1122849852 /nfs/dbraw/zinc/84/98/52/1122849852.db2.gz AIWCGKFZDZKXTQ-WBVHZDCISA-N 0 0 291.435 3.809 20 10 CHCDRN C[N@H+](Cc1ccsc1)Cc1cccc(Cl)c1[O-] ZINC000775644682 1122855673 /nfs/dbraw/zinc/85/56/73/1122855673.db2.gz QZQVBFROWIPQIV-UHFFFAOYSA-N 0 0 267.781 3.739 20 10 CHCDRN COc1ccc(N(C)C[C@H]2CCC3(CCCC3)O2)cc1 ZINC001195819049 1122890379 /nfs/dbraw/zinc/89/03/79/1122890379.db2.gz NMZPGTOXBZNMBD-MRXNPFEDSA-N 0 0 275.392 3.623 20 10 CHCDRN C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775736560 1122928479 /nfs/dbraw/zinc/92/84/79/1122928479.db2.gz ALUOMEYSUWGBKO-DTORHVGOSA-N 0 0 257.736 3.558 20 10 CHCDRN C[C@H]1CC[C@H](C)[NH+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775736561 1122928964 /nfs/dbraw/zinc/92/89/64/1122928964.db2.gz ALUOMEYSUWGBKO-IUCAKERBSA-N 0 0 257.736 3.558 20 10 CHCDRN Cc1cccc(CN(CC2CCC2)CC(F)(F)F)c1O ZINC000775737651 1122931154 /nfs/dbraw/zinc/93/11/54/1122931154.db2.gz XIHWJAVYBIJUKL-UHFFFAOYSA-N 0 0 287.325 3.865 20 10 CHCDRN COc1ccc(O)c(CNc2cccc(Cl)c2OC)c1 ZINC000775753693 1122942407 /nfs/dbraw/zinc/94/24/07/1122942407.db2.gz LRCJURISPDLRQP-UHFFFAOYSA-N 0 0 293.750 3.675 20 10 CHCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000160201765 1122945533 /nfs/dbraw/zinc/94/55/33/1122945533.db2.gz DMFUWUXQINBIRE-CHWSQXEVSA-N 0 0 263.356 3.543 20 10 CHCDRN CCCCC[C@H](CC)C(=O)NCc1ccccc1O ZINC000775780148 1122964601 /nfs/dbraw/zinc/96/46/01/1122964601.db2.gz MPHDCOCTJFVGCQ-ZDUSSCGKSA-N 0 0 263.381 3.615 20 10 CHCDRN C[C@H](CCCc1ccccc1)C(=O)NCc1ccccc1O ZINC000775780497 1122964638 /nfs/dbraw/zinc/96/46/38/1122964638.db2.gz PUUZFTACDNDOPL-OAHLLOKOSA-N 0 0 297.398 3.667 20 10 CHCDRN C[C@@H](CCCc1ccccc1)C(=O)NCc1ccccc1O ZINC000775780496 1122964897 /nfs/dbraw/zinc/96/48/97/1122964897.db2.gz PUUZFTACDNDOPL-HNNXBMFYSA-N 0 0 297.398 3.667 20 10 CHCDRN O=C(OCCCF)N(Cc1ccccc1O)C1CCCC1 ZINC000841493657 1122986234 /nfs/dbraw/zinc/98/62/34/1122986234.db2.gz SVOCPEUIONJBSM-UHFFFAOYSA-N 0 0 295.354 3.633 20 10 CHCDRN COc1ccc(C)cc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000775864138 1122995989 /nfs/dbraw/zinc/99/59/89/1122995989.db2.gz CXRLSFKQYSBXHM-UHFFFAOYSA-N 0 0 291.778 3.652 20 10 CHCDRN Cc1cccc(NC(=S)NCc2cc(Cl)ccn2)c1 ZINC001198649359 1123003863 /nfs/dbraw/zinc/00/38/63/1123003863.db2.gz UYTDRQILCCTUNK-UHFFFAOYSA-N 0 0 291.807 3.530 20 10 CHCDRN COc1cc(Cl)ccc1NCc1cccc(C)c1O ZINC000775998199 1123034204 /nfs/dbraw/zinc/03/42/04/1123034204.db2.gz DYMFFJHRCLRSQE-UHFFFAOYSA-N 0 0 277.751 3.975 20 10 CHCDRN Cc1cc(Nc2ccc(NC(C)C)cc2)cc(=O)o1 ZINC001201492201 1123109659 /nfs/dbraw/zinc/10/96/59/1123109659.db2.gz WSUUQYMHEKSFKY-UHFFFAOYSA-N 0 0 258.321 3.512 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc3c(c2)C(=O)NCC3)cc1 ZINC001201496882 1123110570 /nfs/dbraw/zinc/11/05/70/1123110570.db2.gz AUHVDZASOIVCSI-UHFFFAOYSA-N 0 0 295.386 3.536 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc3c(c2)CC(=O)C3)cc1 ZINC001201504836 1123113219 /nfs/dbraw/zinc/11/32/19/1123113219.db2.gz JSWXNCLRQRFEPO-UHFFFAOYSA-N 0 0 280.371 3.918 20 10 CHCDRN Cc1ncccc1NC/C=C/c1ccc(N(C)C)cc1 ZINC001201567230 1123125747 /nfs/dbraw/zinc/12/57/47/1123125747.db2.gz USQRWETZWVRBRQ-GQCTYLIASA-N 0 0 267.376 3.581 20 10 CHCDRN CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237622453 1129105777 /nfs/dbraw/zinc/10/57/77/1129105777.db2.gz SCGDTOKYPYXICT-SNVBAGLBSA-N 0 0 271.763 3.807 20 10 CHCDRN CC[C@H]([NH2+]CCOCCC(C)C)c1ccc(F)cc1[O-] ZINC000796723864 1123193960 /nfs/dbraw/zinc/19/39/60/1123193960.db2.gz PPDXYFYAHOHPAA-HNNXBMFYSA-N 0 0 283.387 3.635 20 10 CHCDRN Clc1cnc(SCCC2CCOCC2)s1 ZINC000850002191 1123236695 /nfs/dbraw/zinc/23/66/95/1123236695.db2.gz VPZAGBYXLJNHDM-UHFFFAOYSA-N 0 0 263.815 3.705 20 10 CHCDRN Cc1cc(O)c(CN[C@H](C)c2cscn2)c(Cl)c1 ZINC000850359219 1123256245 /nfs/dbraw/zinc/25/62/45/1123256245.db2.gz 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CHCDRN Cc1ccc(C)c(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857546750 1123606685 /nfs/dbraw/zinc/60/66/85/1123606685.db2.gz HISHWYDICMXXKF-UHFFFAOYSA-N 0 0 289.762 3.592 20 10 CHCDRN Cc1cccc(O)c1CNc1cnn(C2CCCC2)c1 ZINC000896697314 1123614257 /nfs/dbraw/zinc/61/42/57/1123614257.db2.gz QQURZJDAIYRWRK-UHFFFAOYSA-N 0 0 271.364 3.624 20 10 CHCDRN COc1cccc(NCc2cc(F)c(N(C)C)cc2F)c1 ZINC000858101654 1123630721 /nfs/dbraw/zinc/63/07/21/1123630721.db2.gz VRMURMJGWLRDIF-UHFFFAOYSA-N 0 0 292.329 3.652 20 10 CHCDRN CC[C@H](C)Oc1cc(Sc2nccs2)nc(C)n1 ZINC000858359754 1123647675 /nfs/dbraw/zinc/64/76/75/1123647675.db2.gz JJVMUKDOCDGZMD-QMMMGPOBSA-N 0 0 281.406 3.570 20 10 CHCDRN CCC(F)(F)CN[C@H](C)c1ccc(C)c(C)c1O ZINC000858507870 1123659227 /nfs/dbraw/zinc/65/92/27/1123659227.db2.gz SPZSHLIBPHEQOF-LLVKDONJSA-N 0 0 257.324 3.705 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cccc(Cl)c1[O-] ZINC000858547687 1123661437 /nfs/dbraw/zinc/66/14/37/1123661437.db2.gz NNJYJJRUVLJMPC-BYCMXARLSA-N 0 0 295.810 3.654 20 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/nfs/dbraw/zinc/07/20/28/1124072028.db2.gz OADMUSMRMZAOAH-UHFFFAOYSA-N 0 0 283.387 3.602 20 10 CHCDRN COc1ccc2c(c1)CCCN2Cc1cccc([N+](=O)[O-])c1 ZINC000021333367 1124072959 /nfs/dbraw/zinc/07/29/59/1124072959.db2.gz UHHGCJJQDINRDJ-UHFFFAOYSA-N 0 0 298.342 3.556 20 10 CHCDRN Cc1csc2ncnc(NCc3ccc(N(C)C)cc3)c12 ZINC000143817290 1124077372 /nfs/dbraw/zinc/07/73/72/1124077372.db2.gz HVUPKPFGLHLFJB-UHFFFAOYSA-N 0 0 298.415 3.678 20 10 CHCDRN CC(C)C[C@@H](C)OC(=O)N[C@@H](C)c1ccccc1O ZINC000867836207 1124104257 /nfs/dbraw/zinc/10/42/57/1124104257.db2.gz JQXCAEFNCYEYOX-NEPJUHHUSA-N 0 0 265.353 3.614 20 10 CHCDRN COc1cc2c(cc1NC[C@H](O)C1CC1)oc1ccccc12 ZINC000819398014 1131244549 /nfs/dbraw/zinc/24/45/49/1131244549.db2.gz JJUNBHYYYIMTHQ-HNNXBMFYSA-N 0 0 297.354 3.777 20 10 CHCDRN COc1ccc(N(C)Cc2csc(C)n2)cc1Cl ZINC000121958991 1124452882 /nfs/dbraw/zinc/45/28/82/1124452882.db2.gz GQGOLPXEHLPCHU-UHFFFAOYSA-N 0 0 282.796 3.750 20 10 CHCDRN FC(F)(F)Oc1ccc2c(c1)CCCN2Cc1ccon1 ZINC000122770355 1124533097 /nfs/dbraw/zinc/53/30/97/1124533097.db2.gz GBVCKQPFMXPIEB-UHFFFAOYSA-N 0 0 298.264 3.526 20 10 CHCDRN CCN(CC)c1ccc(CN(C)C(=O)C(F)(F)CC)cc1 ZINC000819973987 1131269270 /nfs/dbraw/zinc/26/92/70/1131269270.db2.gz GQLDIBCHLLFKRY-UHFFFAOYSA-N 0 0 298.377 3.537 20 10 CHCDRN Cc1cc(-c2cnc3ccn(C)c3c2)cnc1OCC(C)C ZINC001238923283 1131270099 /nfs/dbraw/zinc/27/00/99/1131270099.db2.gz FWISCMNZDCSYHB-UHFFFAOYSA-N 0 0 295.386 3.979 20 10 CHCDRN CC(C)N(C)c1ccccc1NC(=O)C1=CC(=O)CS1 ZINC000820007134 1131271542 /nfs/dbraw/zinc/27/15/42/1131271542.db2.gz QFKVBYKDVYWIDE-UHFFFAOYSA-N 0 0 290.388 3.551 20 10 CHCDRN CC(C)(C)CCCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871204781 1124602786 /nfs/dbraw/zinc/60/27/86/1124602786.db2.gz KTEMDXXYKQMNAO-UHFFFAOYSA-N 0 0 275.392 3.841 20 10 CHCDRN CCCCC[C@@H](C)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871202267 1124602916 /nfs/dbraw/zinc/60/29/16/1124602916.db2.gz BQSKDTWRBDZLJB-CYBMUJFWSA-N 0 0 275.392 3.841 20 10 CHCDRN Clc1cnc(SC[C@@H]2C[C@@H]3CCC[C@H]3O2)s1 ZINC000871679215 1124626229 /nfs/dbraw/zinc/62/62/29/1124626229.db2.gz WCGKSOFVGBHIBD-XHNCKOQMSA-N 0 0 275.826 3.846 20 10 CHCDRN c1cc(N2CCCC2)ccc1OCc1nc(C2CCC2)no1 ZINC000871736583 1124634541 /nfs/dbraw/zinc/63/45/41/1124634541.db2.gz QFHLJXWPJYRKQS-UHFFFAOYSA-N 0 0 299.374 3.516 20 10 CHCDRN CC(C)Nc1ccccc1NCc1nnc(C2CCC2)n1C ZINC000871845868 1124645373 /nfs/dbraw/zinc/64/53/73/1124645373.db2.gz LHGLAMUWRFRSQV-UHFFFAOYSA-N 0 0 299.422 3.515 20 10 CHCDRN CC(C)Nc1ccccc1NCc1nc(C2CCC2)no1 ZINC000871846606 1124645379 /nfs/dbraw/zinc/64/53/79/1124645379.db2.gz UAPNTPRYSXOIIJ-UHFFFAOYSA-N 0 0 286.379 3.770 20 10 CHCDRN COc1cccc(F)c1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC001120366425 1131274504 /nfs/dbraw/zinc/27/45/04/1131274504.db2.gz UKRNYOLGORLIQY-JTQLQIEISA-N 0 0 293.313 3.530 20 10 CHCDRN CCCOc1ccc(C[NH2+][C@@H](C)CCCC(=O)[O-])cc1C ZINC000871877651 1124650290 /nfs/dbraw/zinc/65/02/90/1124650290.db2.gz PTWWPDDUVLGHIB-AWEZNQCLSA-N 0 0 293.407 3.517 20 10 CHCDRN CCn1ncc(N[C@H]2C[C@H](C)c3c2c(O)ccc3F)c1C ZINC000872138269 1124694567 /nfs/dbraw/zinc/69/45/67/1124694567.db2.gz UMSIZPKBQCVNLM-CABZTGNLSA-N 0 0 289.354 3.717 20 10 CHCDRN CC[C@H](Nc1ccc(NC(C)=O)cc1)c1ccccc1O ZINC000019885907 1124765285 /nfs/dbraw/zinc/76/52/85/1124765285.db2.gz OXOSZSXERULFHS-INIZCTEOSA-N 0 0 284.359 3.914 20 10 CHCDRN CCOC(=O)c1cccc(Nc2ccc(NC)cc2)c1 ZINC001159828986 1131294605 /nfs/dbraw/zinc/29/46/05/1131294605.db2.gz NGWGKTQLGXAOLR-UHFFFAOYSA-N 0 0 270.332 3.649 20 10 CHCDRN CC1=C(C)C[C@@](C)(C(=O)N(C)c2ccc(N)cc2)CC1 ZINC001122095150 1131297320 /nfs/dbraw/zinc/29/73/20/1131297320.db2.gz ZOENWDASLTXHTE-KRWDZBQOSA-N 0 0 272.392 3.758 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)CC(C)=C(C)C ZINC000820878495 1131307573 /nfs/dbraw/zinc/30/75/73/1131307573.db2.gz JFUVZBWWFDWRCX-UHFFFAOYSA-N 0 0 275.392 3.877 20 10 CHCDRN COc1ccc(F)c(NCc2cccc(Cl)c2O)c1 ZINC000124627001 1124800425 /nfs/dbraw/zinc/80/04/25/1124800425.db2.gz QSFAEJDWIVOOES-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN Oc1ccccc1CNc1ccc(OC(F)F)cc1 ZINC000020096061 1124805456 /nfs/dbraw/zinc/80/54/56/1124805456.db2.gz IHZTUVLTYWXOCO-UHFFFAOYSA-N 0 0 265.259 3.606 20 10 CHCDRN Oc1c(Cl)cccc1CNc1ccc2c(c1)CCO2 ZINC000124827647 1124819332 /nfs/dbraw/zinc/81/93/32/1124819332.db2.gz WAMOGQOFBGABSY-UHFFFAOYSA-N 0 0 275.735 3.593 20 10 CHCDRN CC[C@H](CC(C)C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000825737286 1124831615 /nfs/dbraw/zinc/83/16/15/1124831615.db2.gz XVUHBWXQZLJJAB-QWHCGFSZSA-N 0 0 293.407 3.650 20 10 CHCDRN CCCCN(C(=O)/C=C\c1cnccc1C)c1ccccn1 ZINC000876081506 1124923456 /nfs/dbraw/zinc/92/34/56/1124923456.db2.gz FDLUMIGELSNSQW-HJWRWDBZSA-N 0 0 295.386 3.632 20 10 CHCDRN Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876973424 1124992810 /nfs/dbraw/zinc/99/28/10/1124992810.db2.gz GACKKYYKQUNVQU-OAHLLOKOSA-N 0 0 289.325 3.756 20 10 CHCDRN Cc1ccc(C[NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)c(O)c1 ZINC000877038524 1124999510 /nfs/dbraw/zinc/99/95/10/1124999510.db2.gz RFFNLOMFAPCNCZ-NVXWUHKLSA-N 0 0 291.435 3.632 20 10 CHCDRN CCCCc1ccc(C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877079888 1125006496 /nfs/dbraw/zinc/00/64/96/1125006496.db2.gz AMEJVHUGQYGBSE-UHFFFAOYSA-N 0 0 282.387 3.888 20 10 CHCDRN CN(C(=O)C1(Cc2ccccc2)CCC1)c1ccc(N)cc1 ZINC000877077373 1125007496 /nfs/dbraw/zinc/00/74/96/1125007496.db2.gz GAROIVREASLYOO-UHFFFAOYSA-N 0 0 294.398 3.645 20 10 CHCDRN CC(C)CCN(C(=O)c1cccc(O)c1O)C1CCCC1 ZINC000126483115 1125024791 /nfs/dbraw/zinc/02/47/91/1125024791.db2.gz HCFFXYYWTQCSIM-UHFFFAOYSA-N 0 0 291.391 3.529 20 10 CHCDRN CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877462627 1125029531 /nfs/dbraw/zinc/02/95/31/1125029531.db2.gz UNEITGYAUSGSSI-SNVBAGLBSA-N 0 0 297.267 3.737 20 10 CHCDRN Cc1cccc(O)c1CNc1ccc(F)c([C@H](C)O)c1 ZINC000877521228 1125039461 /nfs/dbraw/zinc/03/94/61/1125039461.db2.gz SXJGAGBBQOXQIK-NSHDSACASA-N 0 0 275.323 3.505 20 10 CHCDRN CC[C@H](NCc1csc(C)n1)c1ccc(N(C)C)cc1 ZINC000126585768 1125043407 /nfs/dbraw/zinc/04/34/07/1125043407.db2.gz MWPYSIQPIARJJB-INIZCTEOSA-N 0 0 289.448 3.758 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000877771119 1125078620 /nfs/dbraw/zinc/07/86/20/1125078620.db2.gz LHJCVQQQHYVGKF-CQSZACIVSA-N 0 0 295.810 3.627 20 10 CHCDRN COc1ccc2c(c1)CCN2Cc1cnc(C2CC2)s1 ZINC000127694220 1125210546 /nfs/dbraw/zinc/21/05/46/1125210546.db2.gz IYBDQZFCOCUZTL-UHFFFAOYSA-N 0 0 286.400 3.592 20 10 CHCDRN C[C@@H](NC(=O)Nc1cc(C2CC2)ccn1)c1ccccc1O ZINC000879612046 1125220607 /nfs/dbraw/zinc/22/06/07/1125220607.db2.gz WIYJYUMULDTPHG-LLVKDONJSA-N 0 0 297.358 3.547 20 10 CHCDRN C[C@H](NC(=O)Nc1cccc(C2CC2)n1)c1ccccc1O ZINC000879662569 1125224427 /nfs/dbraw/zinc/22/44/27/1125224427.db2.gz DAUMRHYTLIXYDG-NSHDSACASA-N 0 0 297.358 3.547 20 10 CHCDRN CC(C)Oc1ccc(NCc2ccccc2O)c(F)c1 ZINC000129025893 1125310786 /nfs/dbraw/zinc/31/07/86/1125310786.db2.gz CLOAOBZLDNOWLF-UHFFFAOYSA-N 0 0 275.323 3.931 20 10 CHCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+][C@H]1CCCc2occc21 ZINC000190753761 1125319047 /nfs/dbraw/zinc/31/90/47/1125319047.db2.gz OVNKXFSERYXSFT-LBPRGKRZSA-N 0 0 295.741 3.945 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000883112043 1125372413 /nfs/dbraw/zinc/37/24/13/1125372413.db2.gz XKXQVDXFZQULAC-VIFPVBQESA-N 0 0 291.288 3.586 20 10 CHCDRN CCC(=O)N(C)c1ccc(N[C@H](C)c2ccccc2O)cc1 ZINC000883315183 1125394339 /nfs/dbraw/zinc/39/43/39/1125394339.db2.gz AMSNJIOZYYJMRT-CYBMUJFWSA-N 0 0 298.386 3.938 20 10 CHCDRN CCC(=O)N(C)c1ccc(N[C@@H](C)c2ccccc2O)cc1 ZINC000883315184 1125394482 /nfs/dbraw/zinc/39/44/82/1125394482.db2.gz AMSNJIOZYYJMRT-ZDUSSCGKSA-N 0 0 298.386 3.938 20 10 CHCDRN Oc1ccccc1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000131579802 1125398573 /nfs/dbraw/zinc/39/85/73/1125398573.db2.gz MLUMHDVBAMGOSR-INIZCTEOSA-N 0 0 253.345 3.729 20 10 CHCDRN COc1cccc([C@@H](C)Nc2cnc(C)c(C)c2)c1O ZINC000883342580 1125398864 /nfs/dbraw/zinc/39/88/64/1125398864.db2.gz DTKAKBRJOLZDFT-GFCCVEGCSA-N 0 0 272.348 3.586 20 10 CHCDRN CC[N@H+](Cc1cc(Br)ccc1[O-])C1CCCC1 ZINC000132159672 1125414974 /nfs/dbraw/zinc/41/49/74/1125414974.db2.gz ORUJEQZNBSDWIG-UHFFFAOYSA-N 0 0 298.224 3.919 20 10 CHCDRN CC[C@H]([NH2+]CC(C)(C)C1CCOCC1)c1ccccc1O ZINC000897445109 1125417336 /nfs/dbraw/zinc/41/73/36/1125417336.db2.gz BEHSQIBGYLZPBJ-INIZCTEOSA-N 0 0 291.435 3.886 20 10 CHCDRN Brc1ccc(CSc2nccs2)nc1 ZINC000132822024 1125422898 /nfs/dbraw/zinc/42/28/98/1125422898.db2.gz NPHBKNMXOGZLHB-UHFFFAOYSA-N 0 0 287.207 3.593 20 10 CHCDRN C[C@@H](Sc1ncc(Cl)s1)C(=O)OC(C)(C)C ZINC000795308200 1129217113 /nfs/dbraw/zinc/21/71/13/1129217113.db2.gz BALDXMAFKZBEOM-ZCFIWIBFSA-N 0 0 279.814 3.619 20 10 CHCDRN CC[C@@H](C)[C@@H](C(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC000297159381 1129225157 /nfs/dbraw/zinc/22/51/57/1129225157.db2.gz JPNNSLWNBPKWIC-RDTXWAMCSA-N 0 0 296.414 3.715 20 10 CHCDRN C/C=C(/CC)C(=O)N(CCCC)Cc1ccccc1O ZINC000282594699 1129272853 /nfs/dbraw/zinc/27/28/53/1129272853.db2.gz XIZLFVFEFUXVAW-RZNTYIFUSA-N 0 0 275.392 3.877 20 10 CHCDRN C[C@@H](CC1CCCC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000733913299 1129285801 /nfs/dbraw/zinc/28/58/01/1129285801.db2.gz GYJJLSVXRWGHPH-AWEZNQCLSA-N 0 0 288.435 3.585 20 10 CHCDRN CC(=O)c1cc(F)cc(C[NH+](C2CCC2)C2CCC2)c1[O-] ZINC000795451320 1129299754 /nfs/dbraw/zinc/29/97/54/1129299754.db2.gz DRHXPTVDNJQTKI-UHFFFAOYSA-N 0 0 291.366 3.641 20 10 CHCDRN C/C(=C\c1cccnc1)C(=O)N1CCCCc2ccccc21 ZINC001124969776 1131369245 /nfs/dbraw/zinc/36/92/45/1131369245.db2.gz AQWJAIKGOAHZET-FYWRMAATSA-N 0 0 292.382 3.854 20 10 CHCDRN CCOc1ccc(N(C)CCOc2ccccc2F)cc1 ZINC000739923447 1129409550 /nfs/dbraw/zinc/40/95/50/1129409550.db2.gz GJNNXNVWOWQPEO-UHFFFAOYSA-N 0 0 289.350 3.740 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)c1ccc(F)cc1[O-] ZINC000248490336 1129419898 /nfs/dbraw/zinc/41/98/98/1129419898.db2.gz IBJKRORTWGEZRJ-XNKSSIQNSA-N 0 0 297.373 3.768 20 10 CHCDRN COc1ccc2c(c1)CCCCN2Cc1nccn1C(C)C ZINC000766267312 1129433370 /nfs/dbraw/zinc/43/33/70/1129433370.db2.gz BOALUYGEASQMSU-UHFFFAOYSA-N 0 0 299.418 3.816 20 10 CHCDRN CCCC[C@H](C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001125166464 1131373755 /nfs/dbraw/zinc/37/37/55/1131373755.db2.gz JKIJQDLXNBRJJD-HNNXBMFYSA-N 0 0 290.451 3.975 20 10 CHCDRN CCCC[C@H](COC)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796772451 1129441649 /nfs/dbraw/zinc/44/16/49/1129441649.db2.gz RXVJRUFVUJUMIT-UKRRQHHQSA-N 0 0 283.387 3.777 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CC(C)(C)C1 ZINC000795754726 1129447006 /nfs/dbraw/zinc/44/70/06/1129447006.db2.gz XMRFMHFGMCYRGF-UHFFFAOYSA-N 0 0 288.435 3.537 20 10 CHCDRN COc1cc(F)ccc1N[C@H](C)c1cc(F)ccc1O ZINC000094617926 1129448359 /nfs/dbraw/zinc/44/83/59/1129448359.db2.gz IZKYLKZAUZKVHF-SECBINFHSA-N 0 0 279.286 3.852 20 10 CHCDRN Cc1nc(NCc2ccc(N3CCCC3)cc2)sc1C ZINC000741751512 1129451257 /nfs/dbraw/zinc/45/12/57/1129451257.db2.gz ZGWIJMOPVWYYTP-UHFFFAOYSA-N 0 0 287.432 3.972 20 10 CHCDRN Cc1ccccc1C(C)(C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827978498 1131375226 /nfs/dbraw/zinc/37/52/26/1131375226.db2.gz VTCNGYRZHUBVHU-AWEZNQCLSA-N 0 0 297.398 3.856 20 10 CHCDRN C[C@H](Sc1nccs1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000249750852 1129458460 /nfs/dbraw/zinc/45/84/60/1129458460.db2.gz CQMQPQGOTHFAJY-FIQHERPVSA-N 0 0 298.477 3.565 20 10 CHCDRN CC(C)[C@H](c1ccccc1)N(C)C(=O)C1=CC(=O)CS1 ZINC000822349722 1131377059 /nfs/dbraw/zinc/37/70/59/1131377059.db2.gz GTQCGJQJAZXBFM-OAHLLOKOSA-N 0 0 289.400 3.923 20 10 CHCDRN C/C(=C/C(=O)NCc1ccc(N(C)C)cc1C)C(C)(C)C ZINC000742683275 1129494409 /nfs/dbraw/zinc/49/44/09/1129494409.db2.gz MTRQROHMDPMUIM-KAMYIIQDSA-N 0 0 288.435 3.670 20 10 CHCDRN CCCCC[C@H](C)CC(=O)NCc1ccccc1O ZINC000743326081 1129519972 /nfs/dbraw/zinc/51/99/72/1129519972.db2.gz ASLGTLBNGJEJCW-ZDUSSCGKSA-N 0 0 263.381 3.615 20 10 CHCDRN CCCCCCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743717480 1129535172 /nfs/dbraw/zinc/53/51/72/1129535172.db2.gz NKLVEZGXUADQIO-UHFFFAOYSA-N 0 0 289.419 3.858 20 10 CHCDRN CCC[C@H](C)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743715728 1129535427 /nfs/dbraw/zinc/53/54/27/1129535427.db2.gz DHMBMIVHBDXSDJ-ZDUSSCGKSA-N 0 0 289.419 3.714 20 10 CHCDRN CN1CCCc2cc(CNC(=O)CC3=CCCCC3)ccc21 ZINC000303258032 1129536796 /nfs/dbraw/zinc/53/67/96/1129536796.db2.gz CLLBZCXLFABZMV-UHFFFAOYSA-N 0 0 298.430 3.576 20 10 CHCDRN CC(C)(C)CC(C)(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000828326191 1131382889 /nfs/dbraw/zinc/38/28/89/1131382889.db2.gz FLOZGRNKEIWHBS-UHFFFAOYSA-N 0 0 275.392 3.697 20 10 CHCDRN CC(C)O[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C1(C)C ZINC000766331517 1129605256 /nfs/dbraw/zinc/60/52/56/1129605256.db2.gz SFRGKVSDGBQWGJ-XFBWCDHKSA-N 0 0 295.398 3.774 20 10 CHCDRN CC/C=C/CCN(CCOC)c1ccc(OC)c(OC)c1 ZINC000767334858 1129785695 /nfs/dbraw/zinc/78/56/95/1129785695.db2.gz XLZHCKIWWGJKQG-VOTSOKGWSA-N 0 0 293.407 3.513 20 10 CHCDRN COc1cccc(O)c1CN(C)Cc1ccccc1Cl ZINC000768169008 1129839082 /nfs/dbraw/zinc/83/90/82/1129839082.db2.gz BPUUJAWZPBNVTF-UHFFFAOYSA-N 0 0 291.778 3.686 20 10 CHCDRN CN(Cc1ccc(F)c(F)c1)Cc1c(O)cccc1Cl ZINC000768263639 1129848341 /nfs/dbraw/zinc/84/83/41/1129848341.db2.gz VYPFNIVVCNGTEY-UHFFFAOYSA-N 0 0 297.732 3.956 20 10 CHCDRN CC(C)COCC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000800345142 1129866740 /nfs/dbraw/zinc/86/67/40/1129866740.db2.gz MSVLRKUTAMEROR-UHFFFAOYSA-N 0 0 291.435 3.809 20 10 CHCDRN CC[C@@H](NC1(C(F)F)CC1)c1ccc(C)cc1O ZINC000800502232 1129881179 /nfs/dbraw/zinc/88/11/79/1129881179.db2.gz PSTQGMZIVUTZMO-LLVKDONJSA-N 0 0 255.308 3.539 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)C1CC1 ZINC000800802288 1129889064 /nfs/dbraw/zinc/88/90/64/1129889064.db2.gz HJMXZJDXAHOEAS-CYBMUJFWSA-N 0 0 290.407 3.502 20 10 CHCDRN CC/C(=C\C(=O)NCc1ccccc1O)c1ccc(C)cc1 ZINC000769364016 1129904257 /nfs/dbraw/zinc/90/42/57/1129904257.db2.gz XVYJNHAZMKNYQU-NTCAYCPXSA-N 0 0 295.382 3.810 20 10 CHCDRN CN(Cc1ccon1)Cc1cc(-c2ccccc2)ccc1O ZINC000769467423 1129911889 /nfs/dbraw/zinc/91/18/89/1129911889.db2.gz UCXKNAIUVCVDQN-UHFFFAOYSA-N 0 0 294.354 3.679 20 10 CHCDRN CCc1onc(C)c1CNc1ccccc1NC(C)C ZINC000901433489 1129925093 /nfs/dbraw/zinc/92/50/93/1129925093.db2.gz WMYHWRMQCYJQDK-UHFFFAOYSA-N 0 0 273.380 3.978 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](C)C1 ZINC000801548301 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CHCDRN CC(C)=CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000790683591 1130327977 /nfs/dbraw/zinc/32/79/77/1130327977.db2.gz PUCDWEDLKPITGH-JTQLQIEISA-N 0 0 255.308 3.677 20 10 CHCDRN C[C@H](Cc1cccs1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790948680 1130340178 /nfs/dbraw/zinc/34/01/78/1130340178.db2.gz DGWFQSZEMOKHGY-SECBINFHSA-N 0 0 299.798 3.967 20 10 CHCDRN COc1cccc(NCc2c(O)ccc(Cl)c2F)c1F ZINC000790992289 1130341113 /nfs/dbraw/zinc/34/11/13/1130341113.db2.gz WPNGBANEDZHQHN-UHFFFAOYSA-N 0 0 299.704 3.945 20 10 CHCDRN Oc1ccc(Cl)c(F)c1CNc1cccc2c1OCO2 ZINC000790990879 1130341030 /nfs/dbraw/zinc/34/10/30/1130341030.db2.gz QTYLQGACCRRXLX-UHFFFAOYSA-N 0 0 295.697 3.526 20 10 CHCDRN COc1ccc2ncc(-c3ccc4ccn(C)c4c3)nc2c1 ZINC001240571331 1130365789 /nfs/dbraw/zinc/36/57/89/1130365789.db2.gz JKLUVIJLJMKODK-UHFFFAOYSA-N 0 0 289.338 3.797 20 10 CHCDRN Cc1nc2ncc(-c3ccc4ccn(C)c4c3)nc2s1 ZINC001240572162 1130367179 /nfs/dbraw/zinc/36/71/79/1130367179.db2.gz RKYKYJNIKFRVSE-UHFFFAOYSA-N 0 0 280.356 3.553 20 10 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20 10 CHCDRN C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000793231493 1130532756 /nfs/dbraw/zinc/53/27/56/1130532756.db2.gz OPZYBCNIWWCXGU-SCZZXKLOSA-N 0 0 293.716 3.818 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(-c2ccccc2O)cn1 ZINC001241014142 1130567674 /nfs/dbraw/zinc/56/76/74/1130567674.db2.gz WEYSZXAFCKHKHO-UHFFFAOYSA-N 0 0 264.328 3.862 20 10 CHCDRN CCCN(Cc1ccccc1O)c1cc(C)nc(C2CC2)n1 ZINC000770468983 1130610336 /nfs/dbraw/zinc/61/03/36/1130610336.db2.gz NHJGKLDFWDFUNT-UHFFFAOYSA-N 0 0 297.402 3.785 20 10 CHCDRN CCC[C@H](C)[C@H](CC)Oc1cc(O)c(O)cc1C(C)=O ZINC001234475017 1130647537 /nfs/dbraw/zinc/64/75/37/1130647537.db2.gz BVBYXKVSPFFWJL-BONVTDFDSA-N 0 0 280.364 3.894 20 10 CHCDRN Cc1ccnc(N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000759692040 1130669472 /nfs/dbraw/zinc/66/94/72/1130669472.db2.gz MPLVCZNPELXVDQ-UHFFFAOYSA-N 0 0 281.403 3.625 20 10 CHCDRN COc1cccc2c(NCc3ccccc3O)ccnc12 ZINC000780536329 1130683047 /nfs/dbraw/zinc/68/30/47/1130683047.db2.gz PVPRADSBNMCOFK-UHFFFAOYSA-N 0 0 280.327 3.561 20 10 CHCDRN C[C@H](NC(=O)[C@H]1CCCC2(CC2)C1)c1ccccc1O ZINC000827960288 1130694032 /nfs/dbraw/zinc/69/40/32/1130694032.db2.gz MXWRUYTYHVGOGQ-STQMWFEESA-N 0 0 273.376 3.540 20 10 CHCDRN CC1=CC[C@@](C)(C(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000827960666 1130694040 /nfs/dbraw/zinc/69/40/40/1130694040.db2.gz URWLNNGFNODZBI-SUMWQHHRSA-N 0 0 273.376 3.706 20 10 CHCDRN Cc1ccc(C(=O)Nc2ccc(C3CC3)cc2)c(O)c1O ZINC000781015575 1130699435 /nfs/dbraw/zinc/69/94/35/1130699435.db2.gz XKCZNZIAPNUBIT-UHFFFAOYSA-N 0 0 283.327 3.536 20 10 CHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCCCF ZINC000812610581 1130703479 /nfs/dbraw/zinc/70/34/79/1130703479.db2.gz GKBLSDHKIAZCEO-UHFFFAOYSA-N 0 0 294.395 3.635 20 10 CHCDRN CSc1ccccc1COC(=O)C1=CC(=O)CS1 ZINC000781245996 1130711837 /nfs/dbraw/zinc/71/18/37/1130711837.db2.gz UFPKIIMIKIMHOY-UHFFFAOYSA-N 0 0 280.370 3.533 20 10 CHCDRN C=Cc1ccc(CC[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000812773490 1130712694 /nfs/dbraw/zinc/71/26/94/1130712694.db2.gz YIMYBNLXBXNNCM-UHFFFAOYSA-N 0 0 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ZINC001137839712 1131421801 /nfs/dbraw/zinc/42/18/01/1131421801.db2.gz HNASBHCREQYLNR-UHFFFAOYSA-N 0 0 265.353 3.615 20 10 CHCDRN CCCCN(Cc1ccccc1O)[C@@H](C)c1csnn1 ZINC000829516029 1131423078 /nfs/dbraw/zinc/42/30/78/1131423078.db2.gz NFBPNNQVKXBLDG-LBPRGKRZSA-N 0 0 291.420 3.607 20 10 CHCDRN Cc1cc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(C)n1-c1ccccc1 ZINC001137856212 1131424030 /nfs/dbraw/zinc/42/40/30/1131424030.db2.gz URCMJZQYAAXHCE-WDSOQIARSA-N 0 0 298.405 3.884 20 10 CHCDRN C[C@H](NC(=O)[C@@]1(C)CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000829816632 1131434962 /nfs/dbraw/zinc/43/49/62/1131434962.db2.gz FJXBTHFUGNMZJK-DEYYWGMASA-N 0 0 288.435 3.756 20 10 CHCDRN O=C(C1=CC(=O)CS1)N(C1CC1)[C@@H]1CCc2ccccc21 ZINC000824290692 1131461725 /nfs/dbraw/zinc/46/17/25/1131461725.db2.gz UCTGVNARIYXKSS-OAHLLOKOSA-N 0 0 299.395 3.746 20 10 CHCDRN C[N@H+](CCc1cccc(Cl)c1)Cc1cccc(F)c1[O-] ZINC001138128508 1131469664 /nfs/dbraw/zinc/46/96/64/1131469664.db2.gz OKJPFDHEKCVGKR-UHFFFAOYSA-N 0 0 293.769 3.859 20 10 CHCDRN CC[N@H+](Cc1cccc(F)c1)Cc1cccc(F)c1[O-] ZINC001138129582 1131470187 /nfs/dbraw/zinc/47/01/87/1131470187.db2.gz LFYNRBLZZLGAFM-UHFFFAOYSA-N 0 0 277.314 3.693 20 10 CHCDRN Cc1cc(Cl)cc(CNc2cccc(CCO)c2)c1O ZINC000825284222 1131505515 /nfs/dbraw/zinc/50/55/15/1131505515.db2.gz HOJIWZZLWZCOPA-UHFFFAOYSA-N 0 0 291.778 3.501 20 10 CHCDRN C/C(=C/C(=O)N(C)c1cccc(C(C)C)c1)c1cnccn1 ZINC000825410977 1131511382 /nfs/dbraw/zinc/51/13/82/1131511382.db2.gz CDGROPVDNFWOMJ-UVTDQMKNSA-N 0 0 295.386 3.666 20 10 CHCDRN C/C(=C/C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccco1 ZINC000832431711 1131558650 /nfs/dbraw/zinc/55/86/50/1131558650.db2.gz SKTPIVYTZZKEEL-DINCDJDBSA-N 0 0 298.386 3.626 20 10 CHCDRN Cc1cc(C(=O)N2CC3(CC3)C2)c(C)n1-c1cccc(C)c1 ZINC000833326710 1131616224 /nfs/dbraw/zinc/61/62/24/1131616224.db2.gz GARZGIXSABICPN-UHFFFAOYSA-N 0 0 294.398 3.639 20 10 CHCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001139685933 1131628667 /nfs/dbraw/zinc/62/86/67/1131628667.db2.gz FZCMRXNKUFZJDV-UHFFFAOYSA-N 0 0 299.336 3.775 20 10 CHCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@H]1CC2CCC1CC2 ZINC001203007088 1131669485 /nfs/dbraw/zinc/66/94/85/1131669485.db2.gz YCPFOCYGALUTIN-ZIULKBFBSA-N 0 0 295.373 3.975 20 10 CHCDRN CCCn1nc(C)c(CN(C)c2ccc(OC)cc2)c1C ZINC000845997628 1131679545 /nfs/dbraw/zinc/67/95/45/1131679545.db2.gz AKJXCHCFLSBSPL-UHFFFAOYSA-N 0 0 287.407 3.555 20 10 CHCDRN C[C@@]1(CC[NH2+]Cc2cccc(Cl)c2[O-])C[C@]1(F)Cl ZINC000846032612 1131680944 /nfs/dbraw/zinc/68/09/44/1131680944.db2.gz BDFGAHMGBFWOHP-CHWSQXEVSA-N 0 0 292.181 3.840 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C1CC2(CCC2)C1 ZINC000846114892 1131688569 /nfs/dbraw/zinc/68/85/69/1131688569.db2.gz YJNFHCMBAYQTHB-UHFFFAOYSA-N 0 0 269.747 3.607 20 10 CHCDRN CC[C@@H](N[C@@H](C)c1cc(Cl)ccc1O)C(F)F ZINC000834827003 1131707703 /nfs/dbraw/zinc/70/77/03/1131707703.db2.gz HCEFKLXJLZOWAR-OIBJUYFYSA-N 0 0 263.715 3.740 20 10 CHCDRN CCN(C)c1ccc([C@H](C)Nc2cc(COC)ccn2)cc1 ZINC000846210832 1131695734 /nfs/dbraw/zinc/69/57/34/1131695734.db2.gz ACICHJKDGFXCIB-AWEZNQCLSA-N 0 0 299.418 3.857 20 10 CHCDRN C[N@H+](Cc1ccc2scnc2c1)Cc1ccccc1O ZINC001144743679 1131702671 /nfs/dbraw/zinc/70/26/71/1131702671.db2.gz VFXSPFCZCFXYHI-UHFFFAOYSA-N 0 0 284.384 3.634 20 10 CHCDRN Oc1cccc(Cl)c1CN1CCCC(F)(F)[C@@H](F)C1 ZINC001140338031 1131702840 /nfs/dbraw/zinc/70/28/40/1131702840.db2.gz RYKPQZIEMMLRKT-LBPRGKRZSA-N 0 0 293.716 3.615 20 10 CHCDRN Oc1cccc2c1C[N@H+](Cc1ccc3scnc3c1)CC2 ZINC001144743313 1131703185 /nfs/dbraw/zinc/70/31/85/1131703185.db2.gz IYPAZUNBJYNSBB-UHFFFAOYSA-N 0 0 296.395 3.560 20 10 CHCDRN CO[C@@H]1Cc2ccc(N[C@@H]3CCc4cccc(O)c43)cc2C1 ZINC000834766742 1131703664 /nfs/dbraw/zinc/70/36/64/1131703664.db2.gz XNHSSPLWYMWWSV-IAGOWNOFSA-N 0 0 295.382 3.605 20 10 CHCDRN CC[C@H](N[C@@H](CC)C(F)F)c1ccc(C)cc1O ZINC000834826106 1131707691 /nfs/dbraw/zinc/70/76/91/1131707691.db2.gz BPMDLTGBZAKNHW-RYUDHWBXSA-N 0 0 257.324 3.785 20 10 CHCDRN CC[C@H](N[C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C(F)F ZINC000834827726 1131707694 /nfs/dbraw/zinc/70/76/94/1131707694.db2.gz LEPHXYCCZZYRNQ-FKTZTGRPSA-N 0 0 273.298 3.713 20 10 CHCDRN CC[C@@H](N[C@@H](C)c1ccc(C)c(C)c1O)C(F)F ZINC000834828526 1131708917 /nfs/dbraw/zinc/70/89/17/1131708917.db2.gz VFOYNEYJHHTXLU-CMPLNLGQSA-N 0 0 257.324 3.703 20 10 CHCDRN Cc1csc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000834882229 1131716808 /nfs/dbraw/zinc/71/68/08/1131716808.db2.gz GHRFZICYAFRULM-SECBINFHSA-N 0 0 283.343 3.891 20 10 CHCDRN Cc1csc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000834882230 1131717121 /nfs/dbraw/zinc/71/71/21/1131717121.db2.gz GHRFZICYAFRULM-VIFPVBQESA-N 0 0 283.343 3.891 20 10 CHCDRN CC[C@@H]([NH2+][C@H]1COCC1(C)C)c1cccc(Cl)c1[O-] ZINC000834903113 1131726496 /nfs/dbraw/zinc/72/64/96/1131726496.db2.gz ILDLLGYKSTYRBY-OLZOCXBDSA-N 0 0 283.799 3.511 20 10 CHCDRN CC[C@@H](Nc1cccc(CCO)c1)c1ccc(N(C)C)cc1 ZINC000834907447 1131728435 /nfs/dbraw/zinc/72/84/35/1131728435.db2.gz RQFZPQXBOBNKOB-LJQANCHMSA-N 0 0 298.430 3.851 20 10 CHCDRN C[C@@H]([NH2+]CCC1CC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000834909233 1131729717 /nfs/dbraw/zinc/72/97/17/1131729717.db2.gz PRKAUAOPZOWRSA-SECBINFHSA-N 0 0 273.298 3.617 20 10 CHCDRN CSCCN(C)c1ccc(-c2nccs2)cc1 ZINC000846750818 1131730716 /nfs/dbraw/zinc/73/07/16/1131730716.db2.gz VPDOPJHLQXGMOZ-UHFFFAOYSA-N 0 0 264.419 3.609 20 10 CHCDRN CCC(C)(C)OCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000834916146 1131733240 /nfs/dbraw/zinc/73/32/40/1131733240.db2.gz VHWJWNNNOMCAGY-SNVBAGLBSA-N 0 0 287.350 3.526 20 10 CHCDRN Oc1cc(Cl)ccc1C[N@@H+]1CCC12CCCCC2 ZINC001140462529 1131749108 /nfs/dbraw/zinc/74/91/08/1131749108.db2.gz ICUXTCHLPADBQG-UHFFFAOYSA-N 0 0 265.784 3.954 20 10 CHCDRN CN(C)c1ccc(/C=C\CN[C@H]2CCCC2(F)F)cc1 ZINC000835054366 1131766152 /nfs/dbraw/zinc/76/61/52/1131766152.db2.gz URNDFIKLFVXEHJ-XVWMLYKFSA-N 0 0 280.362 3.543 20 10 CHCDRN COC(=O)c1ccc([C@H](C)Oc2ccc(N(C)C)cc2)cc1 ZINC001227940901 1131772082 /nfs/dbraw/zinc/77/20/82/1131772082.db2.gz PIWBTGNVETVIMJ-ZDUSSCGKSA-N 0 0 299.370 3.679 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)c2cccc(C(C)C)c2)c1 ZINC001147962500 1131839468 /nfs/dbraw/zinc/83/94/68/1131839468.db2.gz WFBNNTSLVGNZKL-UHFFFAOYSA-N 0 0 283.371 3.754 20 10 CHCDRN Cc1ccc(C(=O)NCc2c(C)cc(C)cc2O)c(C)c1 ZINC001148252573 1131847512 /nfs/dbraw/zinc/84/75/12/1131847512.db2.gz INKHSCQCRWJXTB-UHFFFAOYSA-N 0 0 283.371 3.556 20 10 CHCDRN O=C1OCC[C@@H]1Oc1ccccc1NN=C1C=CC=CC1=O ZINC001228418048 1131878451 /nfs/dbraw/zinc/87/84/51/1131878451.db2.gz DRVUUNMPRMJEJM-HEWTWTGNSA-N 0 0 298.298 3.502 20 10 CHCDRN CCC/C(C)=C/C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773023867 1131922270 /nfs/dbraw/zinc/92/22/70/1131922270.db2.gz KWUDROCFDWWDOW-FNDVETGQSA-N 0 0 274.408 3.676 20 10 CHCDRN CCCCCCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773138883 1131958401 /nfs/dbraw/zinc/95/84/01/1131958401.db2.gz OCKSAEHHTPOGLK-AWEZNQCLSA-N 0 0 291.439 3.693 20 10 CHCDRN CN(C)c1ccc(CN2CCC(F)(F)CC2)c(Cl)c1 ZINC001140921951 1131963296 /nfs/dbraw/zinc/96/32/96/1131963296.db2.gz XJBWFBBSLPWRFL-UHFFFAOYSA-N 0 0 288.769 3.637 20 10 CHCDRN Oc1cc2ccccc2cc1CNc1cnc(C2CC2)nc1 ZINC001171405511 1131971647 /nfs/dbraw/zinc/97/16/47/1131971647.db2.gz YDSPCSRZKXFIFY-UHFFFAOYSA-N 0 0 291.354 3.825 20 10 CHCDRN Oc1cc2ccccc2cc1CNc1ccc2c(c1)OCO2 ZINC001171405528 1131972431 /nfs/dbraw/zinc/97/24/31/1131972431.db2.gz ZAHGXPXBWZSBDP-UHFFFAOYSA-N 0 0 293.322 3.886 20 10 CHCDRN C[C@H](NC(=O)NCCC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773185068 1131978358 /nfs/dbraw/zinc/97/83/58/1131978358.db2.gz BHVUHKDZDQOXTF-ZDUSSCGKSA-N 0 0 291.439 3.549 20 10 CHCDRN COCc1cccc(NCc2cc(Cl)ccc2O)c1 ZINC000036918247 1131980547 /nfs/dbraw/zinc/98/05/47/1131980547.db2.gz AWSFLYWPVWAEFM-UHFFFAOYSA-N 0 0 277.751 3.804 20 10 CHCDRN CC(C)C(=O)Nc1ccc(NCc2ccccc2O)cc1 ZINC000036957885 1131982806 /nfs/dbraw/zinc/98/28/06/1131982806.db2.gz LJEUDGMOYWNFHW-UHFFFAOYSA-N 0 0 284.359 3.599 20 10 CHCDRN CC(=O)Nc1cc(N[C@H](C)c2ccccc2O)ccc1C ZINC000037120485 1131998082 /nfs/dbraw/zinc/99/80/82/1131998082.db2.gz PRPQJUNZCSRGMA-GFCCVEGCSA-N 0 0 284.359 3.832 20 10 CHCDRN COc1ccc(O)c(CNc2ccc(C)c(OC)c2C)c1 ZINC000037125635 1131999387 /nfs/dbraw/zinc/99/93/87/1131999387.db2.gz GSRWCRHBFHUUSM-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCCC1=CCCCC1 ZINC000837589422 1132087355 /nfs/dbraw/zinc/08/73/55/1132087355.db2.gz YZZHTQMFDKMOJJ-CLFYSBASSA-N 0 0 288.343 3.545 20 10 CHCDRN CC[C@H](NC(=O)NCc1cc(C)ccc1O)c1ccccc1 ZINC001230172844 1132156427 /nfs/dbraw/zinc/15/64/27/1132156427.db2.gz TYOZDHDGYALSEZ-INIZCTEOSA-N 0 0 298.386 3.651 20 10 CHCDRN CC(C)[C@H](O)CSc1ncc(C(C)(C)C)s1 ZINC000840201431 1132250354 /nfs/dbraw/zinc/25/03/54/1132250354.db2.gz VQMGXVRLANDBJC-SECBINFHSA-N 0 0 259.440 3.550 20 10 CHCDRN CCO[C@H]1C[C@@H]([NH2+][C@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000840764130 1132284347 /nfs/dbraw/zinc/28/43/47/1132284347.db2.gz NIWNFQWZXNRDRV-UHIISALHSA-N 0 0 283.799 3.654 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ccn(CC)n1)c1cc(Cl)ccc1O ZINC000840841543 1132292165 /nfs/dbraw/zinc/29/21/65/1132292165.db2.gz VYRKUDKMFTYYBP-CQSZACIVSA-N 0 0 293.798 3.503 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccc(F)cc1[O-] ZINC000840876460 1132298609 /nfs/dbraw/zinc/29/86/09/1132298609.db2.gz QOVCHKKFDFMACC-HZSPNIEDSA-N 0 0 269.335 3.853 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1cc(F)cc(F)c1[O-] ZINC000840877215 1132300931 /nfs/dbraw/zinc/30/09/31/1132300931.db2.gz ZARFCCWCPZXOCW-XTWCZFFVSA-N 0 0 273.298 3.602 20 10 CHCDRN CC[C@H](N[C@H](C)c1csnn1)c1cc(Cl)ccc1O ZINC000840885719 1132301810 /nfs/dbraw/zinc/30/18/10/1132301810.db2.gz GGMWCYCHIMEIJJ-KCJUWKMLSA-N 0 0 297.811 3.699 20 10 CHCDRN C[C@@H]([NH2+]CC(C)(C)c1cccnc1)c1ccc(F)cc1[O-] ZINC000840891906 1132306217 /nfs/dbraw/zinc/30/62/17/1132306217.db2.gz KOVYKPVSLJWFRA-GFCCVEGCSA-N 0 0 288.366 3.555 20 10 CHCDRN CC1(C)Cc2cc(CNc3ccc(N)cc3)ccc2O1 ZINC000841040436 1132322418 /nfs/dbraw/zinc/32/24/18/1132322418.db2.gz QSXKQZJKVNOLIM-UHFFFAOYSA-N 0 0 268.360 3.594 20 10 CHCDRN CCOc1ccc(CNc2ccc(N)cc2)cc1OCC ZINC000841039751 1132322701 /nfs/dbraw/zinc/32/27/01/1132322701.db2.gz AMUAKSOMHXJPJP-UHFFFAOYSA-N 0 0 286.375 3.678 20 10 CHCDRN CCOc1ccc(O)c(CNc2ccc3c(c2)CCCN3)c1 ZINC000841037893 1132323000 /nfs/dbraw/zinc/32/30/00/1132323000.db2.gz ZNYIILQVDWYXCI-UHFFFAOYSA-N 0 0 298.386 3.761 20 10 CHCDRN Cc1cccc(CN2CCCNc3ccccc32)c1O ZINC000841088958 1132326061 /nfs/dbraw/zinc/32/60/61/1132326061.db2.gz GRFJMBLFVQQNNO-UHFFFAOYSA-N 0 0 268.360 3.523 20 10 CHCDRN Oc1c(Cl)cccc1CN1CCCNc2ccccc21 ZINC000841089381 1132326842 /nfs/dbraw/zinc/32/68/42/1132326842.db2.gz MEEMNIWQCQXTHY-UHFFFAOYSA-N 0 0 288.778 3.868 20 10 CHCDRN CC1(CNC(=O)Nc2ccc(N)cc2)CCCCCC1 ZINC000841295759 1132342536 /nfs/dbraw/zinc/34/25/36/1132342536.db2.gz FOTZPRYYHZTVDK-UHFFFAOYSA-N 0 0 275.396 3.751 20 10 CHCDRN Nc1ccc(NC(=O)Nc2cc(C3CCCCC3)[nH]n2)cc1 ZINC000841296413 1132343058 /nfs/dbraw/zinc/34/30/58/1132343058.db2.gz DXLPJHSZTRPJHL-UHFFFAOYSA-N 0 0 299.378 3.684 20 10 CHCDRN Cc1ccc2c(c1)[C@@H](NC(=O)Nc1ccc(N)cc1)[C@H](C)C2 ZINC000841296082 1132343637 /nfs/dbraw/zinc/34/36/37/1132343637.db2.gz OIQZYJJCASPRPV-PXAZEXFGSA-N 0 0 295.386 3.632 20 10 CHCDRN CC(C)c1ccc(CCNC(=O)Nc2ccc(N)cc2)cc1 ZINC000841302014 1132343988 /nfs/dbraw/zinc/34/39/88/1132343988.db2.gz ILEHGYUYEZGNMZ-UHFFFAOYSA-N 0 0 297.402 3.756 20 10 CHCDRN Cc1ccccc1C(C)(C)CNC(=O)Nc1ccc(N)cc1 ZINC000841301328 1132344302 /nfs/dbraw/zinc/34/43/02/1132344302.db2.gz LEQHUVYJKJKJEP-UHFFFAOYSA-N 0 0 297.402 3.677 20 10 CHCDRN Nc1ccc(NC(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC000841301878 1132344788 /nfs/dbraw/zinc/34/47/88/1132344788.db2.gz HIXGSBGJKZNMHR-CYBMUJFWSA-N 0 0 287.388 3.699 20 10 CHCDRN COc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC001231854228 1132379455 /nfs/dbraw/zinc/37/94/55/1132379455.db2.gz BYJYKHKWFWCPLE-SFHVURJKSA-N 0 0 296.414 3.708 20 10 CHCDRN Cc1cc(O)c(CN2CCC(F)(F)[C@H](F)C2)cc1Cl ZINC001231866776 1132382553 /nfs/dbraw/zinc/38/25/53/1132382553.db2.gz DVFWAGSBRMZNIZ-GFCCVEGCSA-N 0 0 293.716 3.533 20 10 CHCDRN Cc1cc(O)c(C[N@@H+]2CCC23CCCC3)cc1Cl ZINC001231867955 1132384094 /nfs/dbraw/zinc/38/40/94/1132384094.db2.gz OJEKTXKWENSQBP-UHFFFAOYSA-N 0 0 265.784 3.873 20 10 CHCDRN C[C@@H]([NH2+]CCc1ccc(O)cc1)c1ccc(Cl)cc1[O-] ZINC000841745246 1132388474 /nfs/dbraw/zinc/38/84/74/1132388474.db2.gz OXJUEUWXMNZYDW-LLVKDONJSA-N 0 0 291.778 3.645 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1[O-] ZINC000841747554 1132389100 /nfs/dbraw/zinc/38/91/00/1132389100.db2.gz CLCOWCLOJCMSSL-JQWIXIFHSA-N 0 0 283.799 3.654 20 10 CHCDRN Oc1c(CN2Cc3ncsc3C2)ccc2ccccc21 ZINC001231882026 1132390428 /nfs/dbraw/zinc/39/04/28/1132390428.db2.gz DIULINIMKLYFDA-UHFFFAOYSA-N 0 0 282.368 3.518 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCCCC12CC2 ZINC001231912491 1132390448 /nfs/dbraw/zinc/39/04/48/1132390448.db2.gz IWQFGQAQKRTYCQ-UHFFFAOYSA-N 0 0 251.757 3.564 20 10 CHCDRN C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccc(Cl)cc1[O-] ZINC000841750482 1132390670 /nfs/dbraw/zinc/39/06/70/1132390670.db2.gz QKIILSDBUVEHFH-NXEZZACHSA-N 0 0 253.773 3.885 20 10 CHCDRN CC[C@@H](CSC)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841752271 1132391709 /nfs/dbraw/zinc/39/17/09/1132391709.db2.gz RZECZPFSEPMZTK-ONGXEEELSA-N 0 0 273.829 3.838 20 10 CHCDRN CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841754146 1132392785 /nfs/dbraw/zinc/39/27/85/1132392785.db2.gz HRVGPWAZKKWCBC-QWHCGFSZSA-N 0 0 299.842 3.741 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1[O-] ZINC000841759266 1132394669 /nfs/dbraw/zinc/39/46/69/1132394669.db2.gz XVENUWGZWFOICG-NWDGAFQWSA-N 0 0 297.826 3.901 20 10 CHCDRN Cc1cccc2c1CC[N@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001142508543 1132403375 /nfs/dbraw/zinc/40/33/75/1132403375.db2.gz CLNVGHNGISNRMU-UHFFFAOYSA-N 0 0 289.325 3.537 20 10 CHCDRN Oc1ccccc1Nc1ccnc2ccc(Cl)cc21 ZINC001206193045 1132408211 /nfs/dbraw/zinc/40/82/11/1132408211.db2.gz DKAKWXKXVCFBNT-UHFFFAOYSA-N 0 0 270.719 3.759 20 10 CHCDRN C[N@@H+](Cc1ccccc1F)Cc1cc(Cl)c(O)cc1O ZINC001232268800 1132446360 /nfs/dbraw/zinc/44/63/60/1132446360.db2.gz SFSZUDFNOKDXCY-UHFFFAOYSA-N 0 0 295.741 3.522 20 10 CHCDRN COc1cc(O)c(C[N@@H+]2CCC[C@@H]2C(C)C)cc1Cl ZINC001232269359 1132446654 /nfs/dbraw/zinc/44/66/54/1132446654.db2.gz WZQISAMJLFNCNM-CYBMUJFWSA-N 0 0 283.799 3.675 20 10 CHCDRN COc1cc(O)c(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1Cl ZINC001232269506 1132447849 /nfs/dbraw/zinc/44/78/49/1132447849.db2.gz CKAHMLJZWUKLAX-FZMZJTMJSA-N 0 0 295.810 3.819 20 10 CHCDRN CCOc1cccc(CNc2n[nH]c(C(C)C)c2C)c1O ZINC000842748631 1132458292 /nfs/dbraw/zinc/45/82/92/1132458292.db2.gz DWHFXUZVBCGYAR-UHFFFAOYSA-N 0 0 289.379 3.558 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1cccc(Cl)c1[O-] ZINC000842928369 1132477655 /nfs/dbraw/zinc/47/76/55/1132477655.db2.gz IZFRMKDAKBRONE-TVYUQYBPSA-N 0 0 285.840 3.980 20 10 CHCDRN C[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])CC(F)F ZINC000843419033 1132531387 /nfs/dbraw/zinc/53/13/87/1132531387.db2.gz OWRULMVGAJUHPR-ZETCQYMHSA-N 0 0 281.705 3.566 20 10 CHCDRN CCCC[N@H+](CCC)Cc1ccc(F)c(F)c1[O-] ZINC001233076574 1132570463 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Cc1cc(C(=O)NC(C)C)c(C)n1-c1cccc(C)c1 ZINC000301314500 1134466416 /nfs/dbraw/zinc/46/64/16/1134466416.db2.gz KVBCRBSWRUZNNI-UHFFFAOYSA-N 0 0 270.376 3.541 20 10 CHCDRN Cc1cc2cc(Nc3cccc(O)c3O)ccc2[nH]1 ZINC001213793962 1134484602 /nfs/dbraw/zinc/48/46/02/1134484602.db2.gz BEYPQTVANILEEY-UHFFFAOYSA-N 0 0 254.289 3.631 20 10 CHCDRN Cc1cc2cc(N(C)c3ccc(N)cc3)ccc2[nH]1 ZINC001213795950 1134485351 /nfs/dbraw/zinc/48/53/51/1134485351.db2.gz UPUMUYAVPFIHFW-UHFFFAOYSA-N 0 0 251.333 3.826 20 10 CHCDRN COc1cccc(N(C)c2ccc(N)cc2)c1C1CC1 ZINC001213809654 1134486354 /nfs/dbraw/zinc/48/63/54/1134486354.db2.gz AAGZTPHYTVFLJT-UHFFFAOYSA-N 0 0 268.360 3.923 20 10 CHCDRN CSc1cc(Nc2cccc(O)c2O)ccc1F ZINC001215795169 1134689226 /nfs/dbraw/zinc/68/92/26/1134689226.db2.gz HDNIZUXPGXHSBW-UHFFFAOYSA-N 0 0 265.309 3.702 20 10 CHCDRN CSc1ccc(F)c(Nc2cccc(O)c2O)c1F ZINC001215838660 1134698841 /nfs/dbraw/zinc/69/88/41/1134698841.db2.gz ISNMAXMZUCHCJP-UHFFFAOYSA-N 0 0 283.299 3.842 20 10 CHCDRN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1ccc(F)cc1[O-] ZINC000403489466 1134788590 /nfs/dbraw/zinc/78/85/90/1134788590.db2.gz ANMKSQRQYGYSEF-SMHCIBLRSA-N 0 0 281.396 3.609 20 10 CHCDRN Nc1ccc(N(c2ccccc2)C2=CCCOC2)cc1 ZINC001216509335 1134912320 /nfs/dbraw/zinc/91/23/20/1134912320.db2.gz FFMBQBWKUZLKLJ-UHFFFAOYSA-N 0 0 266.344 3.711 20 10 CHCDRN O=C1C=CC(=NNc2ccc(O[C@H]3C[C@@H](O)C3)cc2)C=C1 ZINC001218421787 1135102437 /nfs/dbraw/zinc/10/24/37/1135102437.db2.gz AXYKKIOYNNQESQ-FZNQNYSPSA-N 0 0 284.315 3.710 20 10 CHCDRN CCC[N@@H+](Cc1cc(Cl)ccc1[O-])CC(C)C ZINC000310092303 1135119788 /nfs/dbraw/zinc/11/97/88/1135119788.db2.gz JXEXQAJZCWGEPS-UHFFFAOYSA-N 0 0 255.789 3.914 20 10 CHCDRN Cn1cc(-c2nccc3c2ccn3C)c(-c2ccccc2)n1 ZINC001222511297 1135246879 /nfs/dbraw/zinc/24/68/79/1135246879.db2.gz BUWOHNPLRSFDGX-UHFFFAOYSA-N 0 0 288.354 3.641 20 10 CHCDRN CO[C@H](C)COC1=CC(=O)C=CC1=NNc1ccccn1 ZINC001227488610 1135839695 /nfs/dbraw/zinc/83/96/95/1135839695.db2.gz HMFRIQWRFNNCQU-IEBXDZTQSA-N 0 0 287.319 3.616 20 10 CHCDRN Nc1ccc(NC(=O)CCSc2ccc(F)cc2)cc1 ZINC000019846308 170894874 /nfs/dbraw/zinc/89/48/74/170894874.db2.gz HGBGHTITMGLCTD-UHFFFAOYSA-N 0 0 290.363 3.529 20 10 CHCDRN CCOc1ccc(N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000019902340 170914539 /nfs/dbraw/zinc/91/45/39/170914539.db2.gz YHTIHHHNPKXIBV-GFCCVEGCSA-N 0 0 287.359 3.973 20 10 CHCDRN CC(=O)Nc1cccc(N[C@@H](C)c2ccc(C)cc2O)c1 ZINC000020089357 170989298 /nfs/dbraw/zinc/98/92/98/170989298.db2.gz XPGRABDHTGRFTC-LBPRGKRZSA-N 0 0 284.359 3.832 20 10 CHCDRN COc1cc(Cl)cc(CNc2ccc(C)cc2)c1O ZINC000076274150 176967316 /nfs/dbraw/zinc/96/73/16/176967316.db2.gz AUFDBNOEBSHYMC-UHFFFAOYSA-N 0 0 277.751 3.975 20 10 CHCDRN COCC[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000081709692 260184716 /nfs/dbraw/zinc/18/47/16/260184716.db2.gz NLFSGZKLPMSMSR-CHWSQXEVSA-N 0 0 273.376 3.621 20 10 CHCDRN C[C@H](CC1CCCCC1)C(=O)NCCc1ccc(N)cc1 ZINC000152544938 261065638 /nfs/dbraw/zinc/06/56/38/261065638.db2.gz KVMJRJFLLCPLDO-CQSZACIVSA-N 0 0 288.435 3.534 20 10 CHCDRN Cc1ccc(CCCCC(=O)Nc2ccc(N)cc2)cc1 ZINC000160352774 261211455 /nfs/dbraw/zinc/21/14/55/261211455.db2.gz XSICJPNEOREORX-UHFFFAOYSA-N 0 0 282.387 3.929 20 10 CHCDRN CCc1ccc([C@H](C)CC(=O)Nc2ccc(N)cc2)cc1 ZINC000160356301 261211576 /nfs/dbraw/zinc/21/15/76/261211576.db2.gz FMXATFVCLVDEBS-CYBMUJFWSA-N 0 0 282.387 3.964 20 10 CHCDRN COCc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)cc1 ZINC000184942166 262035150 /nfs/dbraw/zinc/03/51/50/262035150.db2.gz URJFWCZILDQHPJ-CQSZACIVSA-N 0 0 285.387 3.698 20 10 CHCDRN COC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000186034474 262076187 /nfs/dbraw/zinc/07/61/87/262076187.db2.gz HYJCWCFVHQXHNA-MLGOLLRUSA-N 0 0 289.350 3.570 20 10 CHCDRN Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)c2nccs2)c1 ZINC000186727351 262322252 /nfs/dbraw/zinc/32/22/52/262322252.db2.gz QHJJXZNQKUQFKX-NEPJUHHUSA-N 0 0 276.405 3.611 20 10 CHCDRN CN(Cc1ccccc1O)c1ncc(C(F)(F)F)s1 ZINC000276823292 263038236 /nfs/dbraw/zinc/03/82/36/263038236.db2.gz UJMRZUPWUFWWEW-UHFFFAOYSA-N 0 0 288.294 3.504 20 10 CHCDRN COCC[C@H]1CCCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000368677736 267197407 /nfs/dbraw/zinc/19/74/07/267197407.db2.gz RCOYEIQSXYLFMZ-CYBMUJFWSA-N 0 0 297.826 3.684 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000182623594 327814463 /nfs/dbraw/zinc/81/44/63/327814463.db2.gz PNELXQCOMRANQC-ZDUSSCGKSA-N 0 0 295.810 3.627 20 10 CHCDRN Cc1nc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)cs1 ZINC000264960652 328163658 /nfs/dbraw/zinc/16/36/58/328163658.db2.gz NZMKMFMYLDBKMD-SNVBAGLBSA-N 0 0 293.411 3.507 20 10 CHCDRN Cc1nnc([C@@H](C)N[C@H](C)c2cc(Cl)ccc2O)s1 ZINC000274273969 328210616 /nfs/dbraw/zinc/21/06/16/328210616.db2.gz XBSCIZOHKHYCDB-HTQZYQBOSA-N 0 0 297.811 3.617 20 10 CHCDRN COc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000090339801 327094359 /nfs/dbraw/zinc/09/43/59/327094359.db2.gz ALMSMCNPZWZULZ-NWDGAFQWSA-N 0 0 289.350 3.952 20 10 CHCDRN CN(C)c1ccc(-c2nc(C3CCOCC3)cs2)cc1 ZINC000092196819 327189828 /nfs/dbraw/zinc/18/98/28/327189828.db2.gz OUWWGGUXNBBKAH-UHFFFAOYSA-N 0 0 288.416 3.770 20 10 CHCDRN Cc1cnc(NCCCSc2nccs2)s1 ZINC000302900412 329534977 /nfs/dbraw/zinc/53/49/77/329534977.db2.gz SNASRBOUVAXCLT-UHFFFAOYSA-N 0 0 271.436 3.502 20 10 CHCDRN C[C@@H](Nc1cccc2c1OCC2)c1cc(F)ccc1O ZINC000527957340 330294777 /nfs/dbraw/zinc/29/47/77/330294777.db2.gz AGMXYFOVNUKTDO-SNVBAGLBSA-N 0 0 273.307 3.639 20 10 CHCDRN CC[C@H](c1ccc(F)cc1[O-])[NH+]1CCC(CCOC)CC1 ZINC000527936722 330298096 /nfs/dbraw/zinc/29/80/96/330298096.db2.gz QYCOAYPOZBDYMK-MRXNPFEDSA-N 0 0 295.398 3.731 20 10 CHCDRN CC[C@H](C)CC(=O)NCc1c(C)c2ccccc2n1C ZINC000471219485 331503817 /nfs/dbraw/zinc/50/38/17/331503817.db2.gz QZXWQZRZPSVSCV-LBPRGKRZSA-N 0 0 272.392 3.539 20 10 CHCDRN CC[C@]1(C)C[C@@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000471233594 331504413 /nfs/dbraw/zinc/50/44/13/331504413.db2.gz CEWAXNJCKWQBJT-RDTXWAMCSA-N 0 0 284.403 3.539 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNc1ccc(F)cn1 ZINC000548056333 334137338 /nfs/dbraw/zinc/13/73/38/334137338.db2.gz UXLGZFXYMPFDJZ-UHFFFAOYSA-N 0 0 269.323 3.633 20 10 CHCDRN CC(C)c1cccc(N(C)C(=O)Cc2ccc(N)cc2)c1 ZINC000236789404 519841472 /nfs/dbraw/zinc/84/14/72/519841472.db2.gz YTYBSURIFDBXAB-UHFFFAOYSA-N 0 0 282.387 3.598 20 10 CHCDRN CCOc1ccc(NCc2cccc(OC)c2O)c(C)c1 ZINC000037781760 521126173 /nfs/dbraw/zinc/12/61/73/521126173.db2.gz CXTGRAYPECZBQZ-UHFFFAOYSA-N 0 0 287.359 3.720 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H](C)CC ZINC000189366981 521687832 /nfs/dbraw/zinc/68/78/32/521687832.db2.gz RBQPEZKXRNYHPA-CYBMUJFWSA-N 0 0 263.381 3.567 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)NCC1(CC)CC1 ZINC000079130215 521687968 /nfs/dbraw/zinc/68/79/68/521687968.db2.gz NAIWDZKWAVPJTO-UHFFFAOYSA-N 0 0 290.407 3.504 20 10 CHCDRN COCCc1ccccc1NCc1cc(C)c(C)cc1O ZINC000188958082 522025243 /nfs/dbraw/zinc/02/52/43/522025243.db2.gz MBANICNUDFPVRC-UHFFFAOYSA-N 0 0 285.387 3.810 20 10 CHCDRN CC[C@H](Nc1cnn(CC(F)F)c1)c1ccc(C)cc1O ZINC000280066032 522779308 /nfs/dbraw/zinc/77/93/08/522779308.db2.gz KTEPDUVLRVDERC-ZDUSSCGKSA-N 0 0 295.333 3.725 20 10 CHCDRN COc1ccc(F)cc1N[C@@H]1CCc2cccc(O)c21 ZINC000296766570 524325700 /nfs/dbraw/zinc/32/57/00/524325700.db2.gz KJHUVZDUTDPHRA-GFCCVEGCSA-N 0 0 273.307 3.639 20 10 CHCDRN Cc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])s1 ZINC000062748405 524592515 /nfs/dbraw/zinc/59/25/15/524592515.db2.gz AIKRVMPLVXGLTE-JTQLQIEISA-N 0 0 265.353 3.752 20 10 CHCDRN COc1ccc(N[C@@H](C)c2ccc(F)cc2O)cc1OC ZINC000062744800 524700639 /nfs/dbraw/zinc/70/06/39/524700639.db2.gz HEBAPLMNEMFDLJ-JTQLQIEISA-N 0 0 291.322 3.722 20 10 CHCDRN COc1ccc(N[C@H](C)c2cc(OC)ccc2O)c(C)c1 ZINC000061565643 524706736 /nfs/dbraw/zinc/70/67/36/524706736.db2.gz LLBPZZQYYPUCDE-GFCCVEGCSA-N 0 0 287.359 3.891 20 10 CHCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(OC)c(F)c2)c1 ZINC000037290355 524767218 /nfs/dbraw/zinc/76/72/18/524767218.db2.gz ZWYGOGIVVURUBJ-SNVBAGLBSA-N 0 0 291.322 3.722 20 10 CHCDRN C[C@]12CC[N@H+](Cc3cccc(Cl)c3[O-])C[C@H]1C2(F)F ZINC000292817718 525345898 /nfs/dbraw/zinc/34/58/98/525345898.db2.gz PNIAVRXZIWPXEM-YPMHNXCESA-N 0 0 287.737 3.523 20 10 CHCDRN Cc1ccc(O)c(CNc2cccc(NC(=O)C3CC3)c2)c1 ZINC000103854950 525354900 /nfs/dbraw/zinc/35/49/00/525354900.db2.gz JPZPGFURPXWMDV-UHFFFAOYSA-N 0 0 296.370 3.661 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000281109014 525384978 /nfs/dbraw/zinc/38/49/78/525384978.db2.gz LRCVRDUGFOYXHH-VHSXEESVSA-N 0 0 273.298 3.617 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccc(F)c(F)c1[O-] ZINC000281085507 525410118 /nfs/dbraw/zinc/41/01/18/525410118.db2.gz JUCYIRBQCCWQKO-IUCAKERBSA-N 0 0 291.288 3.756 20 10 CHCDRN C[C@@H]([NH2+]CCC(C)(C)O)c1cc(Cl)c(Cl)cc1[O-] ZINC000278803887 525428414 /nfs/dbraw/zinc/42/84/14/525428414.db2.gz RJKJVDXMPQGJFE-MRVPVSSYSA-N 0 0 292.206 3.511 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1ccc(F)cc1[O-] ZINC000062745049 525652134 /nfs/dbraw/zinc/65/21/34/525652134.db2.gz FUEFEOJYKACQHP-BDJLRTHQSA-N 0 0 271.335 3.869 20 10 CHCDRN C[C@H](Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1O ZINC000192905494 525669638 /nfs/dbraw/zinc/66/96/38/525669638.db2.gz SJUBUTOGHAAEOZ-LBPRGKRZSA-N 0 0 296.370 3.914 20 10 CHCDRN COc1cccc(CNc2ccc([C@H]3CCOC3)cc2)c1O ZINC000293000095 526041524 /nfs/dbraw/zinc/04/15/24/526041524.db2.gz NAZLMIUREJTVOI-HNNXBMFYSA-N 0 0 299.370 3.517 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)CC(C)C ZINC000133638536 1125481248 /nfs/dbraw/zinc/48/12/48/1125481248.db2.gz RHBPYOFOVBVJRZ-CQSZACIVSA-N 0 0 292.423 3.748 20 10 CHCDRN CCCC[C@@H]([NH2+]Cc1ccc(OCCC)c(C)c1)C(=O)[O-] ZINC000871877183 979980362 /nfs/dbraw/zinc/98/03/62/979980362.db2.gz AFDMHSMFLNAQQQ-OAHLLOKOSA-N 0 0 293.407 3.517 20 10 CHCDRN CCC1([NH2+]Cc2cc(F)cc(F)c2[O-])CCCCC1 ZINC000708388898 1119423837 /nfs/dbraw/zinc/42/38/37/1119423837.db2.gz JJNLFZVCZXSGDT-UHFFFAOYSA-N 0 0 269.335 3.873 20 10 CHCDRN C[C@H]([NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccccc1 ZINC001593198295 994170629 /nfs/dbraw/zinc/17/06/29/994170629.db2.gz PVAOXUFTWKHALJ-RYUDHWBXSA-N 0 0 285.343 3.502 20 10 CHCDRN CCC[C@H](NC(=O)C1=CC(=O)CS1)C1CCCCC1 ZINC000732286223 1121916574 /nfs/dbraw/zinc/91/65/74/1121916574.db2.gz VQQQCNKHMOGAPG-ZDUSSCGKSA-N 0 0 281.421 3.933 20 10 CHCDRN CC1(C)CC(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001180952377 1122024784 /nfs/dbraw/zinc/02/47/84/1122024784.db2.gz LQCPEHYNZGJOFK-UHFFFAOYSA-N 0 0 271.763 3.711 20 10 CHCDRN CCC(CC)CN(CC)C(=O)Nc1ccc(N)cc1 ZINC000048970994 1123040553 /nfs/dbraw/zinc/04/05/53/1123040553.db2.gz BCLCNMRIQRFQNL-UHFFFAOYSA-N 0 0 263.385 3.559 20 10 CHCDRN CC[C@@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000132247455 1125416627 /nfs/dbraw/zinc/41/66/27/1125416627.db2.gz DLBOAIRGEZSWHV-LLVKDONJSA-N 0 0 298.224 3.777 20 10 CHCDRN CC[C@H](CN(C)c1ccc(-c2nccs2)cc1)OC ZINC000846997104 1131769434 /nfs/dbraw/zinc/76/94/34/1131769434.db2.gz UGHNSQYMRXKOPW-CQSZACIVSA-N 0 0 276.405 3.671 20 10 CHCDRN CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841751090 1132389034 /nfs/dbraw/zinc/38/90/34/1132389034.db2.gz KLNGTRADEXMGOS-XHDPSFHLSA-N 0 0 299.842 3.739 20 10 CHCDRN CCOCCCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841745777 1132389915 /nfs/dbraw/zinc/38/99/15/1132389915.db2.gz SXBZQMPYEDVJKM-LLVKDONJSA-N 0 0 271.788 3.513 20 10 CHCDRN CCOc1cccc(C[NH+]2CCC(C)(CC)CC2)c1O ZINC000133982298 1125517431 /nfs/dbraw/zinc/51/74/31/1125517431.db2.gz LFIQDZMQMYCKSX-UHFFFAOYSA-N 0 0 277.408 3.803 20 10 CHCDRN C[C@@H]([NH2+]CC1(N(C)C)CCCC1)c1ccc(Cl)cc1[O-] ZINC000841745524 1125550713 /nfs/dbraw/zinc/55/07/13/1125550713.db2.gz ZNNBZZHTYDNTLB-GFCCVEGCSA-N 0 0 296.842 3.571 20 10 CHCDRN CN(C(=O)CCCCc1ccccc1)c1ccc(N)cc1 ZINC000884441149 1125564798 /nfs/dbraw/zinc/56/47/98/1125564798.db2.gz ATZXVPPSWICZPT-UHFFFAOYSA-N 0 0 282.387 3.645 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCCc2occc21)c1c([O-])cccc1F ZINC000886501302 1125681060 /nfs/dbraw/zinc/68/10/60/1125681060.db2.gz FFDGNWLPNCCGPU-GWCFXTLKSA-N 0 0 275.323 3.853 20 10 CHCDRN COc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cc1F ZINC000886497111 1125681945 /nfs/dbraw/zinc/68/19/45/1125681945.db2.gz SWDXTRVHMTYEIO-JTQLQIEISA-N 0 0 293.313 3.530 20 10 CHCDRN CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)cn1 ZINC000886526882 1125684269 /nfs/dbraw/zinc/68/42/69/1125684269.db2.gz ULNWNUIFMJUYMZ-NEPJUHHUSA-N 0 0 291.370 3.721 20 10 CHCDRN C[C@@H]([NH2+]CCCC(F)(F)F)c1c([O-])cccc1F ZINC000886534302 1125685587 /nfs/dbraw/zinc/68/55/87/1125685587.db2.gz FNICDVSSRFRRAX-MRVPVSSYSA-N 0 0 265.250 3.524 20 10 CHCDRN C[C@@H]([NH2+]C1CCC(F)(F)CC1)c1c([O-])cccc1F ZINC000886558274 1125689841 /nfs/dbraw/zinc/68/98/41/1125689841.db2.gz FTNWUGPIOLKXCX-SECBINFHSA-N 0 0 273.298 3.760 20 10 CHCDRN C[C@H](Nc1cnn(C(C)(C)C)c1)c1c(O)cccc1F ZINC000886578162 1125693106 /nfs/dbraw/zinc/69/31/06/1125693106.db2.gz MFDBQEMTOYOWFW-JTQLQIEISA-N 0 0 277.343 3.656 20 10 CHCDRN C[C@@H](N[C@@H](C)c1c(F)cncc1F)c1c(O)cccc1F ZINC000886609357 1125697208 /nfs/dbraw/zinc/69/72/08/1125697208.db2.gz REKCNZVCPNNRFZ-DTWKUNHWSA-N 0 0 296.292 3.616 20 10 CHCDRN CCCc1nc(C)c(C[NH2+][C@H](C)c2c([O-])cccc2F)o1 ZINC000886613841 1125698349 /nfs/dbraw/zinc/69/83/49/1125698349.db2.gz GHOOFUNWMQGYFW-LLVKDONJSA-N 0 0 292.354 3.631 20 10 CHCDRN C[C@@H]([NH2+]C[C@@]1(C)CC1(Cl)Cl)c1c([O-])cccc1F ZINC000886619162 1125699824 /nfs/dbraw/zinc/69/98/24/1125699824.db2.gz VGXNAVZDGBQMTC-PRHODGIISA-N 0 0 292.181 3.766 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@H]1CCCCO1 ZINC000886634867 1125701043 /nfs/dbraw/zinc/70/10/43/1125701043.db2.gz OSLDHLPNNGFJNI-CORIIIEPSA-N 0 0 281.371 3.530 20 10 CHCDRN C[C@H]([NH2+]CC(C)(C)C(C)(F)F)c1c([O-])cccc1F ZINC000886647726 1125701906 /nfs/dbraw/zinc/70/19/06/1125701906.db2.gz AEQNZJRNZXSXEW-VIFPVBQESA-N 0 0 275.314 3.863 20 10 CHCDRN C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCCO1)c1c([O-])cccc1F ZINC000886646593 1125702088 /nfs/dbraw/zinc/70/20/88/1125702088.db2.gz NHUOMJUOWFNWKR-XNJJOIOASA-N 0 0 293.382 3.530 20 10 CHCDRN C[C@H]([NH2+]C1CC=CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000798181457 1129828131 /nfs/dbraw/zinc/82/81/31/1129828131.db2.gz KJMXBRQHSRLWOP-VIFPVBQESA-N 0 0 271.282 3.780 20 10 CHCDRN C[C@@H]1C[C@H]1CN1CCCc2cc(OC(F)F)ccc21 ZINC001462048658 1130181835 /nfs/dbraw/zinc/18/18/35/1130181835.db2.gz CUPPIXLBAVKVLD-PWSUYJOCSA-N 0 0 267.319 3.697 20 10 CHCDRN CSC1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CCC1 ZINC000789751489 1130276008 /nfs/dbraw/zinc/27/60/08/1130276008.db2.gz FGGKURGXXVRUQI-UHFFFAOYSA-N 0 0 289.803 3.560 20 10 CHCDRN CCOc1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000158106761 1126746165 /nfs/dbraw/zinc/74/61/65/1126746165.db2.gz VCDSKUQKIDBEGD-UHFFFAOYSA-N 0 0 291.778 3.734 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cccc2cccnc21 ZINC000159733328 1126752089 /nfs/dbraw/zinc/75/20/89/1126752089.db2.gz USOVSQLYPYMILR-UHFFFAOYSA-N 0 0 298.773 3.884 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCCC1(C)C ZINC000194323764 1126758335 /nfs/dbraw/zinc/75/83/35/1126758335.db2.gz PAPSJSAROMNRJX-CQSZACIVSA-N 0 0 275.392 3.567 20 10 CHCDRN CC(C)=CCC[C@H](C)Oc1cc(O)c(O)cc1C(C)=O ZINC001234477362 1130648942 /nfs/dbraw/zinc/64/89/42/1130648942.db2.gz SBOJCPBWMUZFAQ-NSHDSACASA-N 0 0 278.348 3.814 20 10 CHCDRN C[C@](O)(CNc1ccc(Nc2ccccc2)cc1)C(F)F ZINC000905299390 1126897549 /nfs/dbraw/zinc/89/75/49/1126897549.db2.gz IGTSWVAKXGGSBS-INIZCTEOSA-N 0 0 292.329 3.858 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])c1ccncc1 ZINC000187734050 1126913650 /nfs/dbraw/zinc/91/36/50/1126913650.db2.gz VNUHODCIXZNUAX-QMTHXVAHSA-N 0 0 292.329 3.867 20 10 CHCDRN COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187736188 1126913679 /nfs/dbraw/zinc/91/36/79/1126913679.db2.gz DPGOBQSNAAAINN-VHSXEESVSA-N 0 0 287.350 3.525 20 10 CHCDRN COCCC1(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CCC1 ZINC000187759363 1126914390 /nfs/dbraw/zinc/91/43/90/1126914390.db2.gz UOTNMUXDPTVTQQ-NSHDSACASA-N 0 0 299.361 3.528 20 10 CHCDRN CC(C)OCCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000187912083 1126916806 /nfs/dbraw/zinc/91/68/06/1126916806.db2.gz HYUYONQDQXDFMK-NSHDSACASA-N 0 0 287.350 3.526 20 10 CHCDRN Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])o1 ZINC000191186088 1126948746 /nfs/dbraw/zinc/94/87/46/1126948746.db2.gz NAGBYIOKOXCMBM-ZJUUUORDSA-N 0 0 281.302 3.984 20 10 CHCDRN CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000270665626 1127059755 /nfs/dbraw/zinc/05/97/55/1127059755.db2.gz PHFCZVMSNGVLAD-XHDPSFHLSA-N 0 0 297.826 3.729 20 10 CHCDRN C[C@H](NCc1ccc(N2CCCC2)cc1)c1cscn1 ZINC000271172207 1127071433 /nfs/dbraw/zinc/07/14/33/1127071433.db2.gz UMVXRUPMQGJPTH-ZDUSSCGKSA-N 0 0 287.432 3.594 20 10 CHCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236793464 1131009178 /nfs/dbraw/zinc/00/91/78/1131009178.db2.gz KVTWBMPGSATYTP-MRVPVSSYSA-N 0 0 260.164 3.541 20 10 CHCDRN Oc1cc(Cl)c(Cl)cc1CN1CCC(F)(F)C1 ZINC001236793579 1131009241 /nfs/dbraw/zinc/00/92/41/1131009241.db2.gz LGZJCPVHEJBKTD-UHFFFAOYSA-N 0 0 282.117 3.540 20 10 CHCDRN COc1ccc(C[N@@H+]2CCC[C@@H]2C(C)C)c([O-])c1Cl ZINC001236805666 1131012859 /nfs/dbraw/zinc/01/28/59/1131012859.db2.gz DPRUHSXTBLWUSM-GFCCVEGCSA-N 0 0 283.799 3.675 20 10 CHCDRN CCC[N@H+](CC)Cc1c([O-])ccc(Cl)c1Cl ZINC001237078023 1131046736 /nfs/dbraw/zinc/04/67/36/1131046736.db2.gz MJPUNQPBWDOULA-UHFFFAOYSA-N 0 0 262.180 3.931 20 10 CHCDRN CC(C)[C@@H]1CCC[N@@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237130293 1131054383 /nfs/dbraw/zinc/05/43/83/1131054383.db2.gz LWJVUVJYWCOITO-LBPRGKRZSA-N 0 0 271.763 3.805 20 10 CHCDRN C[N@@H+](Cc1c(O)ccc(F)c1Cl)CC1CC(F)(F)C1 ZINC001237127092 1131055620 /nfs/dbraw/zinc/05/56/20/1131055620.db2.gz URVZQEIBQDWRAH-UHFFFAOYSA-N 0 0 293.716 3.662 20 10 CHCDRN Cc1ccncc1/C=C\C(=O)N(CC1CC1)c1ccccc1 ZINC000784064960 1127160140 /nfs/dbraw/zinc/16/01/40/1127160140.db2.gz XMMWZAMOUZBVCB-KTKRTIGZSA-N 0 0 292.382 3.846 20 10 CHCDRN CSC[C@H]1CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816516437 1131103302 /nfs/dbraw/zinc/10/33/02/1131103302.db2.gz FRMUNVQRIYZWON-SNVBAGLBSA-N 0 0 289.803 3.512 20 10 CHCDRN CC(C)C[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816558365 1131110883 /nfs/dbraw/zinc/11/08/83/1131110883.db2.gz VQIDNFAAINABAN-SECBINFHSA-N 0 0 259.752 3.709 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)c1c(C)coc1C ZINC000285449291 1127228140 /nfs/dbraw/zinc/22/81/40/1127228140.db2.gz ZEIMMQZHXAQZAR-UHFFFAOYSA-N 0 0 287.359 3.654 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)c1cccnc1)c1ccc(F)cc1[O-] ZINC000285519478 1127235215 /nfs/dbraw/zinc/23/52/15/1127235215.db2.gz DXEHUFSRQBXGIT-IAQYHMDHSA-N 0 0 274.339 3.728 20 10 CHCDRN CC[C@H]([NH2+]CCc1ccncc1C)c1ccc(F)cc1[O-] ZINC000285938793 1127248113 /nfs/dbraw/zinc/24/81/13/1127248113.db2.gz DHLYBQIUBACVGM-INIZCTEOSA-N 0 0 288.366 3.518 20 10 CHCDRN CCN(CC)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000057378698 1127255071 /nfs/dbraw/zinc/25/50/71/1127255071.db2.gz CYLQETZIJFEPSC-UHFFFAOYSA-N 0 0 288.366 3.715 20 10 CHCDRN CC[C@@H]([NH2+]CCCOC(C)C)c1cccc(Cl)c1[O-] ZINC000286869145 1127275018 /nfs/dbraw/zinc/27/50/18/1127275018.db2.gz HGTXNYZJFBPHFH-CQSZACIVSA-N 0 0 285.815 3.901 20 10 CHCDRN CC[C@H]([NH2+]C[C@H]1CCSC1)c1cccc(Cl)c1[O-] ZINC000287125928 1127290700 /nfs/dbraw/zinc/29/07/00/1127290700.db2.gz RJLMBEVAJQGCHF-MFKMUULPSA-N 0 0 285.840 3.839 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cccc(Cl)c1[O-] ZINC000287285876 1127299562 /nfs/dbraw/zinc/29/95/62/1127299562.db2.gz BSVSTOJAUBSGMD-HZMBPMFUSA-N 0 0 293.798 3.581 20 10 CHCDRN C[C@H](N[C@H](C1CC1)C(F)(F)F)c1ccc(F)cc1O ZINC000287443385 1127305692 /nfs/dbraw/zinc/30/56/92/1127305692.db2.gz UPGAGURPDHJXJY-JVXZTZIISA-N 0 0 277.261 3.523 20 10 CHCDRN CCCn1cc(N[C@H](CC)c2ccccc2O)cn1 ZINC000157378159 1127307219 /nfs/dbraw/zinc/30/72/19/1127307219.db2.gz OOGOYFZRUYTRKY-CQSZACIVSA-N 0 0 259.353 3.562 20 10 CHCDRN CC[C@H](Nc1c(C)nn(C)c1C)c1cccc(Cl)c1O ZINC000287810944 1127313224 /nfs/dbraw/zinc/31/32/24/1127313224.db2.gz URIAIHKWSHFVKY-ZDUSSCGKSA-N 0 0 293.798 3.959 20 10 CHCDRN CC[C@@H]([NH2+]CCCC(C)(C)CO)c1cccc(Cl)c1[O-] ZINC000287776330 1127313550 /nfs/dbraw/zinc/31/35/50/1127313550.db2.gz RVTICMRRRQQWET-CQSZACIVSA-N 0 0 299.842 3.885 20 10 CHCDRN CCC1(C)CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000226563957 1127410939 /nfs/dbraw/zinc/41/09/39/1127410939.db2.gz DPSLUIJQHPKBGD-UHFFFAOYSA-N 0 0 251.345 3.543 20 10 CHCDRN Cc1cccc(N(C)Cc2cc(F)c(F)cc2O)c1 ZINC001308675153 1127427128 /nfs/dbraw/zinc/42/71/28/1127427128.db2.gz VHOUWEIABFSLPA-UHFFFAOYSA-N 0 0 263.287 3.615 20 10 CHCDRN O=C1NC(=S)S/C1=C\c1c(Cl)oc2ccccc12 ZINC000761181882 1127506675 /nfs/dbraw/zinc/50/66/75/1127506675.db2.gz SNMKJVYBKOKAGX-UITAMQMPSA-N 0 0 295.772 3.575 20 10 CHCDRN COc1cc(N[C@H](C)c2ccccc2O)cc(OC)c1C ZINC000294045524 1127544987 /nfs/dbraw/zinc/54/49/87/1127544987.db2.gz GIZDHCRSFNFMEE-GFCCVEGCSA-N 0 0 287.359 3.891 20 10 CHCDRN Cc1cc2c(cc1N[C@@H]1CCc3cccc(O)c31)OCO2 ZINC000296356122 1127669338 /nfs/dbraw/zinc/66/93/38/1127669338.db2.gz HTEGFSFCHRMPEU-GFCCVEGCSA-N 0 0 283.327 3.529 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)CCCCO)c1cccc(Cl)c1[O-] ZINC000296419306 1127671579 /nfs/dbraw/zinc/67/15/79/1127671579.db2.gz LGVAJLFECKXRBP-BXUZGUMPSA-N 0 0 285.815 3.637 20 10 CHCDRN C[C@H]([NH2+]CCCC(C)(F)F)c1ccc(F)c(F)c1[O-] ZINC000297249108 1127691910 /nfs/dbraw/zinc/69/19/10/1127691910.db2.gz JDZZOOAHZQOOHT-QMMMGPOBSA-N 0 0 279.277 3.756 20 10 CHCDRN Oc1cccc2c1[C@H](Nc1cc(C3CC3)ccn1)CC2 ZINC000297370774 1127694719 /nfs/dbraw/zinc/69/47/19/1127694719.db2.gz QLSCLOVDRKOBEL-CQSZACIVSA-N 0 0 266.344 3.764 20 10 CHCDRN CC[C@@H]([NH2+]CCC(C)(F)F)c1ccc(F)cc1[O-] ZINC000297379742 1127694770 /nfs/dbraw/zinc/69/47/70/1127694770.db2.gz QYHJYSUPURNYMU-LLVKDONJSA-N 0 0 261.287 3.617 20 10 CHCDRN CC(C)[C@@H](Sc1nccs1)C(=O)N1CCCC[C@H]1C ZINC000299049698 1127739520 /nfs/dbraw/zinc/73/95/20/1127739520.db2.gz QAJIHDWAQOUBBQ-VXGBXAGGSA-N 0 0 298.477 3.661 20 10 CHCDRN CCCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000062576709 1127761190 /nfs/dbraw/zinc/76/11/90/1127761190.db2.gz RFELEWWIPMZPIP-UHFFFAOYSA-N 0 0 284.403 3.553 20 10 CHCDRN C[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000062745072 1127772408 /nfs/dbraw/zinc/77/24/08/1127772408.db2.gz LMEBTNSMXXWCGZ-QWHCGFSZSA-N 0 0 273.351 3.986 20 10 CHCDRN CC(C)CCCCCCNC(=O)Nc1ccc(N)cc1 ZINC000232585305 1127897895 /nfs/dbraw/zinc/89/78/95/1127897895.db2.gz KATJNHFZDDCTJJ-UHFFFAOYSA-N 0 0 277.412 3.997 20 10 CHCDRN O=[N+]([O-])c1ccccc1/C=C\CN1CCOc2ccccc21 ZINC000462799660 1127955892 /nfs/dbraw/zinc/95/58/92/1127955892.db2.gz VWHOODMXBZVLCB-ALCCZGGFSA-N 0 0 296.326 3.507 20 10 CHCDRN CC(C)CCn1ccc(NCc2c(O)cccc2Cl)n1 ZINC000130160010 1128031753 /nfs/dbraw/zinc/03/17/53/1128031753.db2.gz CKEWNZYOTYJFKW-UHFFFAOYSA-N 0 0 293.798 3.900 20 10 CHCDRN CC(C)[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000324207775 1128160261 /nfs/dbraw/zinc/16/02/61/1128160261.db2.gz CJUROFCSBPOJQB-BMIGLBTASA-N 0 0 251.345 3.617 20 10 CHCDRN CCN(C(=O)/C=C\c1cccnc1)c1ccc(Cl)cc1 ZINC000914472390 1128192208 /nfs/dbraw/zinc/19/22/08/1128192208.db2.gz LDKPFBBDKPOUEA-YHYXMXQVSA-N 0 0 286.762 3.801 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC=C(F)C2)cc1 ZINC000777770046 1128268958 /nfs/dbraw/zinc/26/89/58/1128268958.db2.gz BBCSYEVLIKCWEN-UHFFFAOYSA-N 0 0 298.361 3.793 20 10 CHCDRN CCC(CC)[C@H](C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000761974287 1128257947 /nfs/dbraw/zinc/25/79/47/1128257947.db2.gz VWLZJDQESVUNBY-RYUDHWBXSA-N 0 0 293.407 3.650 20 10 CHCDRN CCN(C(=O)/C=C\c1cccnc1)c1cccc(C)c1C ZINC000914528921 1128204539 /nfs/dbraw/zinc/20/45/39/1128204539.db2.gz HQZKAFQXFHOCET-KHPPLWFESA-N 0 0 280.371 3.765 20 10 CHCDRN CC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000777822436 1128286665 /nfs/dbraw/zinc/28/66/65/1128286665.db2.gz HCTJSXQRHNBTRU-CYBMUJFWSA-N 0 0 269.344 3.502 20 10 CHCDRN Cc1cc(C(=O)NC[C@@H]2C[C@@H]2C)c(C)n1-c1ccccc1C ZINC000915290250 1128301158 /nfs/dbraw/zinc/30/11/58/1128301158.db2.gz ZBUIYQFZNCFUKG-BBRMVZONSA-N 0 0 296.414 3.788 20 10 CHCDRN Cl/C=C\CN(C/C=C\Cl)c1ccc2c(c1)CCO2 ZINC000915261234 1128297672 /nfs/dbraw/zinc/29/76/72/1128297672.db2.gz GZYLFVKPKMQBGT-ZZLOOEITSA-N 0 0 284.186 3.933 20 10 CHCDRN Cc1ccc(/C=C/C(=O)N2CCc3c2cccc3Cl)cn1 ZINC000777868744 1128298401 /nfs/dbraw/zinc/29/84/01/1128298401.db2.gz BFYYKQQQFATSNE-BQYQJAHWSA-N 0 0 298.773 3.646 20 10 CHCDRN CCOc1ccc(O)c(CNc2cnc3ccccc3c2)c1 ZINC000762785331 1128318126 /nfs/dbraw/zinc/31/81/26/1128318126.db2.gz GUXTTZNVVKEOAS-UHFFFAOYSA-N 0 0 294.354 3.951 20 10 CHCDRN Cc1cnc(C)c(NCc2ccc(N3CCCCC3)cc2)n1 ZINC000762794556 1128318417 /nfs/dbraw/zinc/31/84/17/1128318417.db2.gz PBDBYZKBXBVYCZ-UHFFFAOYSA-N 0 0 296.418 3.696 20 10 CHCDRN COc1ccc(N(C)Cc2coc(C(C)(C)C)n2)cc1 ZINC000930841554 1128337762 /nfs/dbraw/zinc/33/77/62/1128337762.db2.gz KENFGMLYAUNBOP-UHFFFAOYSA-N 0 0 274.364 3.617 20 10 CHCDRN CC[C@@H](C)[C@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000780591077 1128344699 /nfs/dbraw/zinc/34/46/99/1128344699.db2.gz ZBABIVGTNDUIRS-OLZOCXBDSA-N 0 0 289.419 3.569 20 10 CHCDRN Cc1c2cc(OCc3nnc(C4CC4)o3)ccc2n(C)c1C ZINC000562937381 1128441852 /nfs/dbraw/zinc/44/18/52/1128441852.db2.gz QEHJKQFLPHZWRK-UHFFFAOYSA-N 0 0 297.358 3.635 20 10 CHCDRN CN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccccc1F ZINC000125899126 1128455823 /nfs/dbraw/zinc/45/58/23/1128455823.db2.gz KHOBDCGNLLZVBN-VQHVLOKHSA-N 0 0 290.725 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CCc1cccc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000079121415 1118304001 /nfs/dbraw/zinc/30/40/01/1118304001.db2.gz ZWPFFAMQYNCPPZ-UHFFFAOYSA-N 0 0 296.414 3.698 20 10 CHCDRN Nc1ccc(Cc2ccc(Nc3cc[nH]c(=O)c3)cc2)cc1 ZINC001212278408 1128774228 /nfs/dbraw/zinc/77/42/28/1128774228.db2.gz XBCOWBWIUVILNW-UHFFFAOYSA-N 0 0 291.354 3.704 20 10 CHCDRN Nc1ccc(NC(=O)c2ccc(OC3CCCC3)cc2)cc1 ZINC000238026029 1128776658 /nfs/dbraw/zinc/77/66/58/1128776658.db2.gz PPMSROHLSMDUPH-UHFFFAOYSA-N 0 0 296.370 3.843 20 10 CHCDRN Oc1ccc(F)cc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000180261724 1128784515 /nfs/dbraw/zinc/78/45/15/1128784515.db2.gz WAGOBJFKQHWUMK-UHFFFAOYSA-N 0 0 291.288 3.696 20 10 CHCDRN Cc1cc(C(=O)NCC(C)C)c(C)n1-c1ccccc1C ZINC000068927267 1128803484 /nfs/dbraw/zinc/80/34/84/1128803484.db2.gz SDMNGTYDDVAXFH-UHFFFAOYSA-N 0 0 284.403 3.788 20 10 CHCDRN CC(C(=O)NCCCSc1nccs1)=C1CCCC1 ZINC000176638770 1118933741 /nfs/dbraw/zinc/93/37/41/1118933741.db2.gz GGMAGOLHTWZRBL-UHFFFAOYSA-N 0 0 296.461 3.632 20 10 CHCDRN CCCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000068975615 1128811416 /nfs/dbraw/zinc/81/14/16/1128811416.db2.gz CBSCTLIOHVJEIR-UHFFFAOYSA-N 0 0 270.376 3.542 20 10 CHCDRN CS[C@H]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000183518651 1118981610 /nfs/dbraw/zinc/98/16/10/1118981610.db2.gz QKKXJWCLJCVODL-UPJWGTAASA-N 0 0 265.422 3.717 20 10 CHCDRN CCOc1cccc(CNc2cccc(F)c2C)c1O ZINC000043319498 1119010752 /nfs/dbraw/zinc/01/07/52/1119010752.db2.gz MFBKACMECCIGNT-UHFFFAOYSA-N 0 0 275.323 3.851 20 10 CHCDRN CC[C@H]1CCCN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000472242789 1119157290 /nfs/dbraw/zinc/15/72/90/1119157290.db2.gz RXRSGOZATZEIKJ-AWEZNQCLSA-N 0 0 299.418 3.571 20 10 CHCDRN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c1[O-] ZINC000224709166 1119175162 /nfs/dbraw/zinc/17/51/62/1119175162.db2.gz HYIDYVMAVRGNDD-QWRGUYRKSA-N 0 0 295.810 3.869 20 10 CHCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1ccccn1 ZINC000065597337 1119203906 /nfs/dbraw/zinc/20/39/06/1119203906.db2.gz XEUUUKKMLRQCDJ-UHFFFAOYSA-N 0 0 290.313 3.636 20 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ZINC000162726490 1120000513 /nfs/dbraw/zinc/00/05/13/1120000513.db2.gz TUCWCDNPCHQBKH-NSHDSACASA-N 0 0 298.224 3.823 20 10 CHCDRN CC(C)(C)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000163860627 1120022823 /nfs/dbraw/zinc/02/28/23/1120022823.db2.gz HTVFTWDSGRACQT-GFCCVEGCSA-N 0 0 267.800 3.914 20 10 CHCDRN Nc1ccc(Cc2ccccc2Nc2cccnc2N)cc1 ZINC001212404145 1120066067 /nfs/dbraw/zinc/06/60/67/1120066067.db2.gz NTUXQISGJRAXSY-UHFFFAOYSA-N 0 0 290.370 3.580 20 10 CHCDRN Nc1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 ZINC000253460339 1120103025 /nfs/dbraw/zinc/10/30/25/1120103025.db2.gz QLSBSUBRUXWFPY-BJMVGYQFSA-N 0 0 272.735 3.574 20 10 CHCDRN Cc1cc(COc2ccc(N)cc2)ccc1OC(C)C ZINC001218443165 1120111264 /nfs/dbraw/zinc/11/12/64/1120111264.db2.gz QJDYUNZNSVJXKE-UHFFFAOYSA-N 0 0 271.360 3.943 20 10 CHCDRN COc1ccc(C[N@@H+]2CCC23CCCC3)c([O-])c1Cl ZINC001236801250 1128893961 /nfs/dbraw/zinc/89/39/61/1128893961.db2.gz IOMFIPYKPMMHNU-UHFFFAOYSA-N 0 0 281.783 3.573 20 10 CHCDRN Cc1ccc(N[C@@H]2CCc3cccc(O)c32)c(F)c1 ZINC000312019979 1120253485 /nfs/dbraw/zinc/25/34/85/1120253485.db2.gz KUWZDIADRLOHJL-CQSZACIVSA-N 0 0 257.308 3.939 20 10 CHCDRN CC[N@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000179870924 1120256071 /nfs/dbraw/zinc/25/60/71/1120256071.db2.gz ANHLVZPJESGLER-UHFFFAOYSA-N 0 0 259.324 3.553 20 10 CHCDRN C[C@@H]([NH2+][C@H]1Cc2cccc(Cl)c2C1)c1ccccc1O ZINC001168690243 1120256323 /nfs/dbraw/zinc/25/63/23/1120256323.db2.gz KKIPHXCLSWICIA-YPMHNXCESA-N 0 0 287.790 3.864 20 10 CHCDRN COc1ccc(NCc2c(C)c3ccccc3n2C)nc1 ZINC000672271341 1120272099 /nfs/dbraw/zinc/27/20/99/1120272099.db2.gz VKGBETDBSMMYMB-UHFFFAOYSA-N 0 0 281.359 3.502 20 10 CHCDRN C[C@@H](c1nc(Cc2ccc(N)cc2)no1)C1CCCC1 ZINC000843160134 1120276415 /nfs/dbraw/zinc/27/64/15/1120276415.db2.gz DMGDPISUQOLVSK-LLVKDONJSA-N 0 0 271.364 3.536 20 10 CHCDRN Cc1ccc(F)c(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000312044273 1120278977 /nfs/dbraw/zinc/27/89/77/1120278977.db2.gz UBGSODHWXALMNK-CYBMUJFWSA-N 0 0 257.308 3.939 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@H](C)c1ccccn1)c1ccccc1O ZINC000692692684 1120488472 /nfs/dbraw/zinc/48/84/72/1120488472.db2.gz VFRACNDNDPZGNR-UKRRQHHQSA-N 0 0 270.376 3.632 20 10 CHCDRN C[C@@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccc(F)cc1[O-] ZINC000191521876 1120523948 /nfs/dbraw/zinc/52/39/48/1120523948.db2.gz DDRQJEJZPBITJE-SNVBAGLBSA-N 0 0 295.304 3.703 20 10 CHCDRN COc1ccc(O)c([C@H](C)Nc2cccc(C)c2)c1 ZINC000019877209 1120542734 /nfs/dbraw/zinc/54/27/34/1120542734.db2.gz IXEHNSXJCZLWCW-LBPRGKRZSA-N 0 0 257.333 3.882 20 10 CHCDRN Cc1ncsc1/C=C/C(=O)N1CC2(CC2)c2ccccc21 ZINC000186552510 1120561286 /nfs/dbraw/zinc/56/12/86/1120561286.db2.gz AFJASVKUHHOYCP-VOTSOKGWSA-N 0 0 296.395 3.543 20 10 CHCDRN Cc1cccc2c1N(C(=O)/C=C\c1ccc(Cl)nc1)CC2 ZINC000759839609 1120573193 /nfs/dbraw/zinc/57/31/93/1120573193.db2.gz BGHOGMCWRKTFHF-VURMDHGXSA-N 0 0 298.773 3.646 20 10 CHCDRN CCc1ccccc1NCc1cc(OC)ccc1O ZINC000020091606 1120583305 /nfs/dbraw/zinc/58/33/05/1120583305.db2.gz OQAHVCXVWJGLGC-UHFFFAOYSA-N 0 0 257.333 3.575 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2ccnc(N(C)C)c2)cc1 ZINC000759927931 1120851598 /nfs/dbraw/zinc/85/15/98/1120851598.db2.gz ISHVSKBIJCSUII-UHFFFAOYSA-N 0 0 299.418 3.571 20 10 CHCDRN Cc1nc(CCN(C)c2ccc(OC(C)C)cc2)cs1 ZINC000759933606 1120900109 /nfs/dbraw/zinc/90/01/09/1120900109.db2.gz NSZBWAXUDVXVFQ-UHFFFAOYSA-N 0 0 290.432 3.918 20 10 CHCDRN Cc1cncc(CN(C)c2ccc(OC(C)C)cc2)c1 ZINC000759934389 1120903551 /nfs/dbraw/zinc/90/35/51/1120903551.db2.gz TYLLPTUCPWSBRX-UHFFFAOYSA-N 0 0 270.376 3.814 20 10 CHCDRN CC1(C)CCCc2sc(Cc3ccc(N)cc3)nc21 ZINC000094279056 1120993756 /nfs/dbraw/zinc/99/37/56/1120993756.db2.gz QYSOOXQDWFVAMP-UHFFFAOYSA-N 0 0 272.417 3.930 20 10 CHCDRN CCN(C[Si](C)(C)c1ccccc1)c1ccc(OC)cc1 ZINC001167834038 1121026592 /nfs/dbraw/zinc/02/65/92/1121026592.db2.gz CBSJHXQMLKYLKG-UHFFFAOYSA-N 0 0 299.490 3.676 20 10 CHCDRN Cc1ccc(C)c(NC(=S)NCc2ncc(C)cc2C)c1 ZINC000243185340 1128961716 /nfs/dbraw/zinc/96/17/16/1128961716.db2.gz JYPQLTBBEYNVMJ-UHFFFAOYSA-N 0 0 299.443 3.802 20 10 CHCDRN Oc1cccc(Nc2cc(F)cc(C(F)(F)F)c2)c1O ZINC001175061912 1121146019 /nfs/dbraw/zinc/14/60/19/1121146019.db2.gz SUFUSQQIXIKNSX-UHFFFAOYSA-N 0 0 287.212 3.999 20 10 CHCDRN C[C@H]([NH2+][C@@H](C)C1CCCC1)c1ccc(F)cc1[O-] ZINC000070305389 1128966652 /nfs/dbraw/zinc/96/66/52/1128966652.db2.gz FLBZLSWRYGZHPS-QWRGUYRKSA-N 0 0 251.345 3.761 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H](CC(C)C)N(C)C)c1ccc(F)cc1[O-] ZINC000796686544 1121216664 /nfs/dbraw/zinc/21/66/64/1121216664.db2.gz YXEBGYAKFJXPFV-ZBFHGGJFSA-N 0 0 296.430 3.548 20 10 CHCDRN C[C@H]([NH2+]Cc1cncc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000702965144 1121224097 /nfs/dbraw/zinc/22/40/97/1121224097.db2.gz CLKITALHUPZSOI-LBPRGKRZSA-N 0 0 289.810 3.652 20 10 CHCDRN C[C@H]1CCCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000703198976 1121238009 /nfs/dbraw/zinc/23/80/09/1121238009.db2.gz ITMAVOOZSVZALS-NSHDSACASA-N 0 0 298.224 3.777 20 10 CHCDRN CCc1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])s1 ZINC000703294328 1121245466 /nfs/dbraw/zinc/24/54/66/1121245466.db2.gz GYSMLXXGUFELHE-UHFFFAOYSA-N 0 0 283.343 3.584 20 10 CHCDRN Oc1ccc(Cl)c(Cl)c1CN1CCc2occc2C1 ZINC001237084825 1128973081 /nfs/dbraw/zinc/97/30/81/1128973081.db2.gz OALVORZSZYYEGI-UHFFFAOYSA-N 0 0 298.169 3.850 20 10 CHCDRN C[C@@H](CCc1ccco1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124644207 1121310627 /nfs/dbraw/zinc/31/06/27/1121310627.db2.gz XFHKUHMACWZFSR-NSHDSACASA-N 0 0 279.767 3.750 20 10 CHCDRN CCC[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C(C)C ZINC000763563185 1128983850 /nfs/dbraw/zinc/98/38/50/1128983850.db2.gz HBEDXCDMFBRZPX-CQSZACIVSA-N 0 0 294.414 3.580 20 10 CHCDRN CCCCN(C(=O)c1ccc(C)c(O)c1O)c1ccccc1 ZINC000182572550 1128985627 /nfs/dbraw/zinc/98/56/27/1128985627.db2.gz UBMRWCIQTPUBOP-UHFFFAOYSA-N 0 0 299.370 3.853 20 10 CHCDRN COc1cc(C)cc(CNc2cccc(C)c2)c1O ZINC000894102908 1121499981 /nfs/dbraw/zinc/49/99/81/1121499981.db2.gz CQOOSMUUBVILEC-UHFFFAOYSA-N 0 0 257.333 3.630 20 10 CHCDRN O=C(c1ccncc1)c1ccccc1Nc1cscn1 ZINC001175946183 1121515849 /nfs/dbraw/zinc/51/58/49/1121515849.db2.gz STUYHFXVTYSPJM-UHFFFAOYSA-N 0 0 281.340 3.513 20 10 CHCDRN CC(=O)c1cc(Cl)cc(C[NH2+]C2(C3CC3)CCC2)c1[O-] ZINC001176038057 1121527924 /nfs/dbraw/zinc/52/79/24/1121527924.db2.gz ZZZNIUDBZBGQMH-UHFFFAOYSA-N 0 0 293.794 3.671 20 10 CHCDRN CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000248582387 1121575254 /nfs/dbraw/zinc/57/52/54/1121575254.db2.gz WGWKPUSFSHZRQJ-VMGRFDJRSA-N 0 0 295.398 3.776 20 10 CHCDRN COc1cc(Cl)cc(N(C)c2ccc(N)cc2)c1 ZINC001176345913 1121603468 /nfs/dbraw/zinc/60/34/68/1121603468.db2.gz NYXGLPQUZMOMPR-UHFFFAOYSA-N 0 0 262.740 3.699 20 10 CHCDRN CN(c1ccc(N)cc1)c1ccc2cc(O)ccc2c1 ZINC001176388010 1121609777 /nfs/dbraw/zinc/60/97/77/1121609777.db2.gz DXDWUJMAWWIJBD-UHFFFAOYSA-N 0 0 264.328 3.896 20 10 CHCDRN CSc1ccc(NC(=O)CSc2nccs2)cc1 ZINC000047270537 1121625817 /nfs/dbraw/zinc/62/58/17/1121625817.db2.gz QAGZYLMYTLBUEY-UHFFFAOYSA-N 0 0 296.442 3.596 20 10 CHCDRN Cc1cc(Nc2cccc(O)c2O)c(F)cc1Cl ZINC001176526806 1121644337 /nfs/dbraw/zinc/64/43/37/1121644337.db2.gz UIWHIFPIZGQHMO-UHFFFAOYSA-N 0 0 267.687 3.942 20 10 CHCDRN CC(C)C[C@H](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000727672782 1121732978 /nfs/dbraw/zinc/73/29/78/1121732978.db2.gz PGTQSTMJHZTQEJ-HNNXBMFYSA-N 0 0 290.451 3.783 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNc1cccc2c1OCO2 ZINC001178469578 1121788701 /nfs/dbraw/zinc/78/87/01/1121788701.db2.gz PZMFQLAUFNVQML-UHFFFAOYSA-N 0 0 294.354 3.828 20 10 CHCDRN CCN(C)c1ccc(CNC(C)(C)c2nccs2)cc1 ZINC000773773601 1121819073 /nfs/dbraw/zinc/81/90/73/1121819073.db2.gz QAFRZSKKIZXFLD-UHFFFAOYSA-N 0 0 289.448 3.624 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H]1CC1(C)C ZINC001178978233 1121831234 /nfs/dbraw/zinc/83/12/34/1121831234.db2.gz VJOYCEYETPACBJ-WCQYABFASA-N 0 0 269.335 3.585 20 10 CHCDRN CCN(CC)c1ccc(CN(C)C(=O)OC(C)(C)C)cc1 ZINC000731148890 1121846839 /nfs/dbraw/zinc/84/68/39/1121846839.db2.gz UAVOAZAWYHWBON-UHFFFAOYSA-N 0 0 292.423 3.900 20 10 CHCDRN CCC[C@H](C)NC(=O)N(CCC)Cc1ccccc1O ZINC000731281564 1121857180 /nfs/dbraw/zinc/85/71/80/1121857180.db2.gz NQCFGEKKXSURAV-ZDUSSCGKSA-N 0 0 278.396 3.502 20 10 CHCDRN CCN(CC)c1ccc(CNc2nccs2)cc1F ZINC000731351898 1121864019 /nfs/dbraw/zinc/86/40/19/1121864019.db2.gz GQVMAEREORBMLF-UHFFFAOYSA-N 0 0 279.384 3.741 20 10 CHCDRN CC(C)[C@@H](CNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000731869359 1121889439 /nfs/dbraw/zinc/88/94/39/1121889439.db2.gz QNEJWOZHWOPXDU-CQSZACIVSA-N 0 0 289.400 3.623 20 10 CHCDRN CCN(CC)c1ccc(CNc2n[nH]c(C)c2C)cc1F ZINC001179611183 1121894359 /nfs/dbraw/zinc/89/43/59/1121894359.db2.gz HAEGQPVBOQZRSZ-UHFFFAOYSA-N 0 0 290.386 3.624 20 10 CHCDRN CCOc1ccc(NC(=O)C2=CC(=O)CS2)cc1Cl ZINC000732273182 1121913907 /nfs/dbraw/zinc/91/39/07/1121913907.db2.gz LFLGSYHKLDJQCB-UHFFFAOYSA-N 0 0 297.763 3.758 20 10 CHCDRN O=C(NCCc1cccc2ccccc21)C1=CC(=O)CS1 ZINC000732269923 1121915642 /nfs/dbraw/zinc/91/56/42/1121915642.db2.gz MHPWPIPAMMGSCG-UHFFFAOYSA-N 0 0 297.379 3.579 20 10 CHCDRN CC(C)CC[C@H]1CCC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000732285102 1121915985 /nfs/dbraw/zinc/91/59/85/1121915985.db2.gz RGNARDJTNZFSGT-DGCLKSJQSA-N 0 0 281.421 3.788 20 10 CHCDRN CCN(Cc1cccc(Cl)c1)C(=O)C1=CC(=O)CS1 ZINC000732268284 1121916146 /nfs/dbraw/zinc/91/61/46/1121916146.db2.gz FYXJWUVGMHZEGP-UHFFFAOYSA-N 0 0 295.791 3.769 20 10 CHCDRN CCC[C@H](Cc1ccccc1)NC(=O)C1=CC(=O)CS1 ZINC000732285055 1121916528 /nfs/dbraw/zinc/91/65/28/1121916528.db2.gz PDVZAXSCRVOYFS-CYBMUJFWSA-N 0 0 289.400 3.595 20 10 CHCDRN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000732285101 1121916613 /nfs/dbraw/zinc/91/66/13/1121916613.db2.gz RGNARDJTNZFSGT-AAEUAGOBSA-N 0 0 281.421 3.788 20 10 CHCDRN Cc1cc(C)c(COC(=O)C2=CC(=O)CS2)c(C)c1 ZINC000732353450 1121917977 /nfs/dbraw/zinc/91/79/77/1121917977.db2.gz PJEQNTGWQSACBA-UHFFFAOYSA-N 0 0 276.357 3.736 20 10 CHCDRN Cc1ncc(/C=C/C(=O)N2C[C@H](C)Cc3ccccc32)s1 ZINC000732736700 1121934624 /nfs/dbraw/zinc/93/46/24/1121934624.db2.gz CNDYJQJRIWFSNK-ABZNLYFFSA-N 0 0 298.411 3.690 20 10 CHCDRN Cc1ncc(/C=C/C(=O)N2CCCc3cc(C)ccc32)s1 ZINC000732728323 1121937262 /nfs/dbraw/zinc/93/72/62/1121937262.db2.gz BTCOZFCQXBRYJR-SOFGYWHQSA-N 0 0 298.411 3.753 20 10 CHCDRN CCN(C(=O)/C=C/c1cnc(C)s1)c1ccccc1F ZINC000732730422 1121937589 /nfs/dbraw/zinc/93/75/89/1121937589.db2.gz UBFJUISFEMZMCN-CMDGGOBGSA-N 0 0 290.363 3.657 20 10 CHCDRN C[Si](C)(C)CCCC(=O)NCc1cccc(Cl)c1O ZINC001180410336 1121986843 /nfs/dbraw/zinc/98/68/43/1121986843.db2.gz NREHJVHTFUOBLV-UHFFFAOYSA-N 0 0 299.874 3.780 20 10 CHCDRN C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCc2ccccc21 ZINC001180531716 1121994826 /nfs/dbraw/zinc/99/48/26/1121994826.db2.gz JIKQTRICQXYDKH-INIZCTEOSA-N 0 0 289.325 3.790 20 10 CHCDRN COC1CCC(CC[NH2+]Cc2ccc(Cl)cc2[O-])CC1 ZINC001180646742 1122006979 /nfs/dbraw/zinc/00/69/79/1122006979.db2.gz PWZONCONVJSNOF-UHFFFAOYSA-N 0 0 297.826 3.731 20 10 CHCDRN C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)c(F)cc2[O-])C[C@@H]1C ZINC001180707278 1122009630 /nfs/dbraw/zinc/00/96/30/1122009630.db2.gz GRSREKDJRGKWTN-SCVCMEIPSA-N 0 0 269.335 3.585 20 10 CHCDRN CC[C@@H](CC(C)C)C(=O)NCc1c(C)cc(C)cc1O ZINC001181855525 1122086713 /nfs/dbraw/zinc/08/67/13/1122086713.db2.gz QFQLHOKODOSDFT-AWEZNQCLSA-N 0 0 277.408 3.698 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCC2(CC2)CC1 ZINC001183155913 1122210181 /nfs/dbraw/zinc/21/01/81/1122210181.db2.gz JEHWVMIYBDKIMR-UHFFFAOYSA-N 0 0 283.774 3.951 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCO[C@H](C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000273528125 1122237925 /nfs/dbraw/zinc/23/79/25/1122237925.db2.gz VVBMXAJOQJMKTF-RBOXIYTFSA-N 0 0 295.398 3.776 20 10 CHCDRN CO[C@H](C)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000273549116 1122238845 /nfs/dbraw/zinc/23/88/45/1122238845.db2.gz FPEGMANCNDBEHB-BDAKNGLRSA-N 0 0 292.206 3.775 20 10 CHCDRN Cc1ccc(O)c(CNc2ccc(Cn3cccn3)cc2)c1 ZINC000103855667 1122259249 /nfs/dbraw/zinc/25/92/49/1122259249.db2.gz ZYCKGNUVLVCHGI-UHFFFAOYSA-N 0 0 293.370 3.558 20 10 CHCDRN Cc1cc(C)c2c(c1)CC[N@@H+](Cc1cc(F)ccc1O)C2 ZINC001184419301 1122275620 /nfs/dbraw/zinc/27/56/20/1122275620.db2.gz ZIIGUCAWNKXNPG-UHFFFAOYSA-N 0 0 285.362 3.706 20 10 CHCDRN CCC(C)(C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000760018381 1122294403 /nfs/dbraw/zinc/29/44/03/1122294403.db2.gz OGSDOBDYVMXVST-VIFPVBQESA-N 0 0 257.324 3.757 20 10 CHCDRN Cc1c(NCc2cc(-c3ccccc3)ccc2O)cnn1C ZINC000774824892 1122315373 /nfs/dbraw/zinc/31/53/73/1122315373.db2.gz ZOILWNUZJDGUSO-UHFFFAOYSA-N 0 0 293.370 3.713 20 10 CHCDRN COc1cc(CNc2ccc3c(c2)ncn3C)ccc1C ZINC000775030092 1122397797 /nfs/dbraw/zinc/39/77/97/1122397797.db2.gz OKECJXIQALWECV-UHFFFAOYSA-N 0 0 281.359 3.502 20 10 CHCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1cccc(O)c1 ZINC000775170340 1122466282 /nfs/dbraw/zinc/46/62/82/1122466282.db2.gz CNXDXZBWUPRZJE-VIFPVBQESA-N 0 0 295.741 3.741 20 10 CHCDRN O=C(Nc1ccc2ccccc2c1)Nc1cccc(O)c1O ZINC001188611519 1122468770 /nfs/dbraw/zinc/46/87/70/1122468770.db2.gz MZTYZEACIJHDOV-UHFFFAOYSA-N 0 0 294.310 3.895 20 10 CHCDRN CCOc1cc(F)ccc1NCc1cc(C)ccc1O ZINC000071407701 1129062351 /nfs/dbraw/zinc/06/23/51/1129062351.db2.gz XDWZUYUVPMVRLJ-UHFFFAOYSA-N 0 0 275.323 3.851 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cccnc1)c1cccc(Cl)c1[O-] ZINC000287107801 1122565109 /nfs/dbraw/zinc/56/51/09/1122565109.db2.gz XDYOQGLHNIXVAL-CQSZACIVSA-N 0 0 276.767 3.682 20 10 CHCDRN CC[C@@H]([NH2+][C@@H]1CCCOCC1)c1cccc(Cl)c1[O-] ZINC000287723101 1122584350 /nfs/dbraw/zinc/58/43/50/1122584350.db2.gz ORVFEIIURAXGLS-BXUZGUMPSA-N 0 0 283.799 3.655 20 10 CHCDRN CCc1ncc(CN(c2ccc(OC)c(F)c2)C(C)C)o1 ZINC001192139270 1122632756 /nfs/dbraw/zinc/63/27/56/1122632756.db2.gz BQNAAUMDPVXBHX-UHFFFAOYSA-N 0 0 292.354 3.800 20 10 CHCDRN Cc1cc(NC(=O)Nc2nc3ccccc3n2C)ccc1F ZINC001192349270 1122640901 /nfs/dbraw/zinc/64/09/01/1122640901.db2.gz RYSOGFHLQQGALE-UHFFFAOYSA-N 0 0 298.321 3.665 20 10 CHCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCC[C@H]2C)c1[O-] ZINC001193392843 1122688761 /nfs/dbraw/zinc/68/87/61/1122688761.db2.gz NHDIZUGAGMWMFA-OTYXRUKQSA-N 0 0 281.783 3.526 20 10 CHCDRN CC(C)(C)COC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001194398485 1122771560 /nfs/dbraw/zinc/77/15/60/1122771560.db2.gz KVAJCOJGBFITRM-UHFFFAOYSA-N 0 0 290.407 3.559 20 10 CHCDRN C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775639703 1122848136 /nfs/dbraw/zinc/84/81/36/1122848136.db2.gz ZEACJAJNTRWHMP-VIFPVBQESA-N 0 0 257.736 3.559 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(SC)o2)cc1OC ZINC000894462037 1122857950 /nfs/dbraw/zinc/85/79/50/1122857950.db2.gz PUXAZBDHTXOVSZ-UHFFFAOYSA-N 0 0 293.388 3.655 20 10 CHCDRN CC(C)[C@H](C)[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775652611 1122867856 /nfs/dbraw/zinc/86/78/56/1122867856.db2.gz NXPLLGUCFPYAAD-VIFPVBQESA-N 0 0 259.752 3.661 20 10 CHCDRN CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCCC1 ZINC000775651562 1122868679 /nfs/dbraw/zinc/86/86/79/1122868679.db2.gz AAAJAOUENVZPOA-UHFFFAOYSA-N 0 0 271.763 3.949 20 10 CHCDRN Cc1ccc(C)c(N(C)C(=O)/C=C/c2cncc(C)c2)c1 ZINC000121401346 1122873525 /nfs/dbraw/zinc/87/35/25/1122873525.db2.gz WRGGCLOLXSYFGX-BQYQJAHWSA-N 0 0 280.371 3.683 20 10 CHCDRN COc1ccc(N(C)CCCc2ccccc2OC)cc1 ZINC001195818971 1122890562 /nfs/dbraw/zinc/89/05/62/1122890562.db2.gz MIDXZZIYDGMOIS-UHFFFAOYSA-N 0 0 285.387 3.773 20 10 CHCDRN CCOc1ccc(N(CC)CCSCC)cc1 ZINC001167984236 1122917249 /nfs/dbraw/zinc/91/72/49/1122917249.db2.gz QQKSNCBLVBNPBN-UHFFFAOYSA-N 0 0 253.411 3.665 20 10 CHCDRN Oc1c(Cl)cccc1CN1CCCc2ccccc21 ZINC000160195260 1122944664 /nfs/dbraw/zinc/94/46/64/1122944664.db2.gz YFCXTRTZRLIENT-UHFFFAOYSA-N 0 0 273.763 3.998 20 10 CHCDRN CC(C)(C)C1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000160227084 1122947107 /nfs/dbraw/zinc/94/71/07/1122947107.db2.gz OVWCXDQIXJRTFV-UHFFFAOYSA-N 0 0 265.372 3.789 20 10 CHCDRN CCCCC[C@@H](CC)C(=O)NCc1ccccc1O ZINC000775780147 1122964541 /nfs/dbraw/zinc/96/45/41/1122964541.db2.gz MPHDCOCTJFVGCQ-CYBMUJFWSA-N 0 0 263.381 3.615 20 10 CHCDRN C[C@H](NCc1nc2ccccc2o1)c1ccc(N(C)C)cc1 ZINC000775833774 1122987268 /nfs/dbraw/zinc/98/72/68/1122987268.db2.gz LUTPUZLUVZMFJA-ZDUSSCGKSA-N 0 0 295.386 3.745 20 10 CHCDRN Cc1cc(C(=O)NC2CC=CC2)c(C)n1-c1ccccc1C ZINC000760029768 1123045841 /nfs/dbraw/zinc/04/58/41/1123045841.db2.gz CYMKGYJBVNSQAN-UHFFFAOYSA-N 0 0 294.398 3.851 20 10 CHCDRN COc1ccc(C[NH2+]C[C@H](C)C2CCCCC2)c(O)c1 ZINC000776077346 1123053224 /nfs/dbraw/zinc/05/32/24/1123053224.db2.gz NTDBVWSWQGFADW-ZDUSSCGKSA-N 0 0 277.408 3.707 20 10 CHCDRN Cc1cc(O)c(C[N@@H+](C)CCCOC(C)C)cc1Cl ZINC001205918250 1123106864 /nfs/dbraw/zinc/10/68/64/1123106864.db2.gz UWQJOYQUNZWSQT-UHFFFAOYSA-N 0 0 285.815 3.601 20 10 CHCDRN CC(C)Nc1ccc(Nc2cccc(CO)c2)cc1 ZINC001201498170 1123111194 /nfs/dbraw/zinc/11/11/94/1123111194.db2.gz URLKOQBPGLKPSU-UHFFFAOYSA-N 0 0 256.349 3.743 20 10 CHCDRN COc1cc(O)ccc1Nc1ccc(NC(C)C)cc1 ZINC001201498692 1123111310 /nfs/dbraw/zinc/11/13/10/1123111310.db2.gz BQEJDMYBLVRFBO-UHFFFAOYSA-N 0 0 272.348 3.965 20 10 CHCDRN Nc1ccc(Cc2ccc(Nc3cncc(O)c3)cc2)cc1 ZINC001201641016 1123135208 /nfs/dbraw/zinc/13/52/08/1123135208.db2.gz HTFOKPYRRJUIKB-UHFFFAOYSA-N 0 0 291.354 3.704 20 10 CHCDRN CC[C@H]1CCC[C@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001202454182 1123209206 /nfs/dbraw/zinc/20/92/06/1123209206.db2.gz AQAWJWILFUKQBF-QWRGUYRKSA-N 0 0 269.335 3.586 20 10 CHCDRN CCc1cccc(CNC2(C(F)F)CCCC2)c1O ZINC000848912160 1123229423 /nfs/dbraw/zinc/22/94/23/1123229423.db2.gz NIPUIZRUTWPGKH-UHFFFAOYSA-N 0 0 269.335 3.622 20 10 CHCDRN CC(C)(C)c1nnc(CSc2ncc(Cl)s2)[nH]1 ZINC000850002187 1123236684 /nfs/dbraw/zinc/23/66/84/1123236684.db2.gz VMLLYMVNQZNUAW-UHFFFAOYSA-N 0 0 288.829 3.504 20 10 CHCDRN Cc1cnc([C@H](C)Sc2ncc(Cl)s2)cn1 ZINC000850000363 1123237145 /nfs/dbraw/zinc/23/71/45/1123237145.db2.gz RYNBBCSKYQZYRL-ZETCQYMHSA-N 0 0 271.798 3.748 20 10 CHCDRN CCOc1ccc(CNCC(F)(F)C(C)(C)C)c(O)c1 ZINC000850410433 1123264175 /nfs/dbraw/zinc/26/41/75/1123264175.db2.gz UDAMZIOWKQTOTF-UHFFFAOYSA-N 0 0 287.350 3.562 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](CC)COCC1CC1)c1ccc(F)cc1[O-] ZINC000850494985 1123275087 /nfs/dbraw/zinc/27/50/87/1123275087.db2.gz UTTOFTYDXRJESL-GOEBONIOSA-N 0 0 295.398 3.777 20 10 CHCDRN CC[C@@H]([NH2+]CCc1cnccc1C)c1ccc(F)cc1[O-] ZINC000850505255 1123276401 /nfs/dbraw/zinc/27/64/01/1123276401.db2.gz QDBTXQDYIDDSEO-MRXNPFEDSA-N 0 0 288.366 3.518 20 10 CHCDRN C[C@@H]([NH2+]CCCOC(C)(C)C)c1cc(F)cc(F)c1[O-] ZINC000850525657 1123280663 /nfs/dbraw/zinc/28/06/63/1123280663.db2.gz LOTSSDYJYDSLHG-SNVBAGLBSA-N 0 0 287.350 3.526 20 10 CHCDRN CC[C@@H]1CN(Cc2ccccc2O)c2ccccc2O1 ZINC000776523247 1123346219 /nfs/dbraw/zinc/34/62/19/1123346219.db2.gz AOVRFJPCUAHDSA-CQSZACIVSA-N 0 0 269.344 3.570 20 10 CHCDRN Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1O ZINC001237681084 1129123311 /nfs/dbraw/zinc/12/33/11/1129123311.db2.gz KYLCTESTTFMLEQ-BETUJISGSA-N 0 0 279.811 3.976 20 10 CHCDRN Clc1cnc(Sc2ccnc(C3CC3)n2)s1 ZINC000853964937 1123464252 /nfs/dbraw/zinc/46/42/52/1123464252.db2.gz SYONRTYCXAMJDG-UHFFFAOYSA-N 0 0 269.782 3.615 20 10 CHCDRN CCc1cc(C)nc(Sc2ncc(Cl)s2)n1 ZINC000853964584 1123464442 /nfs/dbraw/zinc/46/44/42/1123464442.db2.gz OMMBEVUDUTXZSR-UHFFFAOYSA-N 0 0 271.798 3.609 20 10 CHCDRN CC[C@@H](C)N(CC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000854002463 1123465172 /nfs/dbraw/zinc/46/51/72/1123465172.db2.gz AHLBAFDYLSQSQY-KGLIPLIRSA-N 0 0 291.439 3.644 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)C(F)(F)CC ZINC000854373672 1123483663 /nfs/dbraw/zinc/48/36/63/1123483663.db2.gz JPWUUQCUJOBCND-UHFFFAOYSA-N 0 0 285.334 3.566 20 10 CHCDRN CC(C)(C)c1cnc(SCCC2(O)CCC2)s1 ZINC000840199334 1123483821 /nfs/dbraw/zinc/48/38/21/1123483821.db2.gz HPMVWHZWAGSNHX-UHFFFAOYSA-N 0 0 271.451 3.838 20 10 CHCDRN CON(C(=O)C1=CC(=O)CS1)[C@@H](C)c1ccccc1C ZINC000854520151 1123488254 /nfs/dbraw/zinc/48/82/54/1123488254.db2.gz DMEFMUQWRXFOEW-NSHDSACASA-N 0 0 291.372 3.527 20 10 CHCDRN O=C(N[C@@H]1CCCC12CCCCC2)C1=CC(=O)CS1 ZINC000855202781 1123510056 /nfs/dbraw/zinc/51/00/56/1123510056.db2.gz ABRFRAUPJBUAEL-CYBMUJFWSA-N 0 0 279.405 3.687 20 10 CHCDRN O=C(N[C@H]1CCCC12CCCCC2)C1=CC(=O)CS1 ZINC000855202782 1123510356 /nfs/dbraw/zinc/51/03/56/1123510356.db2.gz ABRFRAUPJBUAEL-ZDUSSCGKSA-N 0 0 279.405 3.687 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC3CC2(C)C3)cc1 ZINC000856510070 1123563118 /nfs/dbraw/zinc/56/31/18/1123563118.db2.gz GFJAIZDUBBFQGU-UHFFFAOYSA-N 0 0 294.398 3.719 20 10 CHCDRN CCC[C@@H](C)CC(=O)NCCCSc1nccs1 ZINC000114374563 1123563459 /nfs/dbraw/zinc/56/34/59/1123563459.db2.gz VZBDNVDQBRWFRY-LLVKDONJSA-N 0 0 286.466 3.568 20 10 CHCDRN Cc1cc(CN(C)c2ccc(OC(C)C)cc2)ccn1 ZINC000856738969 1123566017 /nfs/dbraw/zinc/56/60/17/1123566017.db2.gz TXQSMMJJBSBYLQ-UHFFFAOYSA-N 0 0 270.376 3.814 20 10 CHCDRN Cc1cc(C)cc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC000857546398 1123606553 /nfs/dbraw/zinc/60/65/53/1123606553.db2.gz CADLIMKGIWGSGX-UHFFFAOYSA-N 0 0 289.762 3.592 20 10 CHCDRN Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1Cl ZINC000896860986 1123649049 /nfs/dbraw/zinc/64/90/49/1123649049.db2.gz YFXLANAKSGGMLR-WCBMZHEXSA-N 0 0 293.716 3.642 20 10 CHCDRN CCC(F)(F)CN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000858506288 1123658696 /nfs/dbraw/zinc/65/86/96/1123658696.db2.gz FPATVLHCBUJXOT-WPRPVWTQSA-N 0 0 273.298 3.715 20 10 CHCDRN COCc1ccc(N[C@@H](C)c2ccccc2O)cc1OC ZINC000858567870 1123662865 /nfs/dbraw/zinc/66/28/65/1123662865.db2.gz LOCSUEUYRDISCG-LBPRGKRZSA-N 0 0 287.359 3.720 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CCCC12CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858594452 1123666517 /nfs/dbraw/zinc/66/65/17/1123666517.db2.gz QEBFDTPDGOLHAJ-NWDGAFQWSA-N 0 0 290.363 3.531 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2ccnc(F)c2)cc1 ZINC000859278159 1123693847 /nfs/dbraw/zinc/69/38/47/1123693847.db2.gz LTICXSMOMAYVFB-UHFFFAOYSA-N 0 0 274.339 3.644 20 10 CHCDRN CC[C@@H](CCc1ccccc1)NC(=O)Nc1ccc(N)cc1 ZINC000859696235 1123705863 /nfs/dbraw/zinc/70/58/63/1123705863.db2.gz GRHJNFDYNYJCRG-INIZCTEOSA-N 0 0 297.402 3.802 20 10 CHCDRN CN1C(=O)/C(=C/c2ccc(C(C)(C)C)s2)SC1=S ZINC000119047923 1123826766 /nfs/dbraw/zinc/82/67/66/1123826766.db2.gz UYRYDTUASLKAMY-CLFYSBASSA-N 0 0 297.470 3.877 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)CCC2CCCCC2)c1 ZINC000862761180 1123827315 /nfs/dbraw/zinc/82/73/15/1123827315.db2.gz IDMPYMSULZKKNO-UHFFFAOYSA-N 0 0 275.392 3.677 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)c1 ZINC000862754582 1123827465 /nfs/dbraw/zinc/82/74/65/1123827465.db2.gz GKROLDZELATBGW-APWZRJJASA-N 0 0 295.382 3.511 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)C2[C@H]3CCCCCC[C@H]23)c1 ZINC000862754219 1123827542 /nfs/dbraw/zinc/82/75/42/1123827542.db2.gz UXQDFBPLSQTUFL-GJZGRUSLSA-N 0 0 287.403 3.533 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCCCC2(C)C)c1 ZINC000862755567 1123827742 /nfs/dbraw/zinc/82/77/42/1123827742.db2.gz IFGOXZGMFZMCHV-CQSZACIVSA-N 0 0 275.392 3.533 20 10 CHCDRN CCC[C@H]1CCC[C@@H]1C(=O)NCc1cc(C)ccc1O ZINC000862754761 1123827773 /nfs/dbraw/zinc/82/77/73/1123827773.db2.gz JBHHETZVNATWRG-ZFWWWQNUSA-N 0 0 275.392 3.533 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)C(C)(C)C2CCCC2)c1 ZINC000862757644 1123828016 /nfs/dbraw/zinc/82/80/16/1123828016.db2.gz ASFUYUMJHZDTLZ-UHFFFAOYSA-N 0 0 275.392 3.533 20 10 CHCDRN C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1cc(Cl)ccc1O ZINC000840860255 1123861715 /nfs/dbraw/zinc/86/17/15/1123861715.db2.gz RHFJDUAXUNLQJU-WCABBAIRSA-N 0 0 271.813 3.590 20 10 CHCDRN CCO[C@H](CSc1ncc(Cl)s1)C1CC1 ZINC000863347993 1123862737 /nfs/dbraw/zinc/86/27/37/1123862737.db2.gz MYRUYDFVQYGPLH-MRVPVSSYSA-N 0 0 263.815 3.704 20 10 CHCDRN C[C@@H](Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1O ZINC000192905504 1123866459 /nfs/dbraw/zinc/86/64/59/1123866459.db2.gz SJUBUTOGHAAEOZ-GFCCVEGCSA-N 0 0 296.370 3.914 20 10 CHCDRN c1csc(Sc2ncnc3sc4c(c32)CCC4)n1 ZINC000301109900 1123874945 /nfs/dbraw/zinc/87/49/45/1123874945.db2.gz VXYIVNUNFDMOEH-UHFFFAOYSA-N 0 0 291.426 3.788 20 10 CHCDRN CC(C)Oc1ccc(CN(C)c2ccc(N)cc2)cc1 ZINC000863556976 1123875937 /nfs/dbraw/zinc/87/59/37/1123875937.db2.gz FNDXQOGENMOREO-UHFFFAOYSA-N 0 0 270.376 3.692 20 10 CHCDRN COc1cccc(Nc2ccc(NC[C@H](O)C3CC3)cc2)c1 ZINC000863566984 1123876949 /nfs/dbraw/zinc/87/69/49/1123876949.db2.gz ANFXPNCTONNLHJ-SFHVURJKSA-N 0 0 298.386 3.622 20 10 CHCDRN CC1CCN(c2ccc(CNc3ccccn3)cc2)CC1 ZINC000301212907 1123881899 /nfs/dbraw/zinc/88/18/99/1123881899.db2.gz VYQVBNRKSMVDFO-UHFFFAOYSA-N 0 0 281.403 3.930 20 10 CHCDRN Cc1ccc([C@H](C)C[NH2+]Cc2ccccc2O)cc1 ZINC000119686948 1123900747 /nfs/dbraw/zinc/90/07/47/1123900747.db2.gz FXGWKPXVVNBFKV-CQSZACIVSA-N 0 0 255.361 3.594 20 10 CHCDRN CCN(Cc1cc(C)cc(C)c1O)[C@H](C)C(F)(F)F ZINC000794677403 1123926791 /nfs/dbraw/zinc/92/67/91/1123926791.db2.gz JKXUUNMGUYYSMI-LLVKDONJSA-N 0 0 275.314 3.782 20 10 CHCDRN Clc1ccc(NCCCSc2nccs2)nc1 ZINC000301751321 1123930184 /nfs/dbraw/zinc/93/01/84/1123930184.db2.gz AXUUSNAFIPQVGQ-UHFFFAOYSA-N 0 0 285.825 3.786 20 10 CHCDRN CCC[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000120497699 1123971608 /nfs/dbraw/zinc/97/16/08/1123971608.db2.gz ONCHUXJYOIKBQI-QGZVFWFLSA-N 0 0 290.451 3.783 20 10 CHCDRN COc1cccc2c(N(C)Cc3ccccc3O)ccnc12 ZINC000302595365 1123974064 /nfs/dbraw/zinc/97/40/64/1123974064.db2.gz AZLQKCIGNDJPHG-UHFFFAOYSA-N 0 0 294.354 3.585 20 10 CHCDRN Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000840910477 1124016088 /nfs/dbraw/zinc/01/60/88/1124016088.db2.gz NNVKXJULWWUDIL-CQSZACIVSA-N 0 0 272.392 3.847 20 10 CHCDRN C[C@H](Cc1ccccc1)Oc1ccc(N(C)C)cc1 ZINC001227939048 1124065465 /nfs/dbraw/zinc/06/54/65/1124065465.db2.gz JGZHAXZIYJDYHJ-CQSZACIVSA-N 0 0 255.361 3.763 20 10 CHCDRN Cc1ccc([C@H](C)Oc2ccc(N(C)C)cc2)cn1 ZINC001227939542 1124065814 /nfs/dbraw/zinc/06/58/14/1124065814.db2.gz YPRYUZZOXFJGSH-ZDUSSCGKSA-N 0 0 256.349 3.596 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)c1cccc(Cl)c1[O-] ZINC000866448357 1124066641 /nfs/dbraw/zinc/06/66/41/1124066641.db2.gz VGPQIBJSINLHNP-XXSPCDMZSA-N 0 0 283.799 3.652 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1cc(F)cc(F)c1[O-] ZINC000866450763 1124066837 /nfs/dbraw/zinc/06/68/37/1124066837.db2.gz ZARFCCWCPZXOCW-YDEJPDAXSA-N 0 0 273.298 3.602 20 10 CHCDRN C[C@H](Nc1cnn2c1CCCC2)c1cc(Cl)ccc1O ZINC000866460759 1124068730 /nfs/dbraw/zinc/06/87/30/1124068730.db2.gz JJMRZKLKGFZCJO-JTQLQIEISA-N 0 0 291.782 3.752 20 10 CHCDRN CC[C@@H](Nc1cnn2c1CCCC2)c1ccc(C)cc1O ZINC000866461810 1124068849 /nfs/dbraw/zinc/06/88/49/1124068849.db2.gz VAFZOQLEYGCTGV-CQSZACIVSA-N 0 0 285.391 3.797 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc(F)cc1[O-] ZINC000866498998 1124073499 /nfs/dbraw/zinc/07/34/99/1124073499.db2.gz CGIKBFOHROIGTJ-OUAUKWLOSA-N 0 0 277.261 3.523 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1ccnn1C)c1cccc(Cl)c1[O-] ZINC000866612644 1124088860 /nfs/dbraw/zinc/08/88/60/1124088860.db2.gz ATPDXRMWBKZDRD-GWCFXTLKSA-N 0 0 293.798 3.581 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(Cl)nc2)cc1F ZINC000121758799 1124101525 /nfs/dbraw/zinc/10/15/25/1124101525.db2.gz KBAZMWLZCXIHLV-UHFFFAOYSA-N 0 0 280.730 3.519 20 10 CHCDRN Fc1ccc2oc(CSc3nccs3)nc2c1 ZINC000121812672 1124103517 /nfs/dbraw/zinc/10/35/17/1124103517.db2.gz NXTRQMLNJDBQID-UHFFFAOYSA-N 0 0 266.322 3.716 20 10 CHCDRN Cc1ccc(C2CC2)c(C(=O)NCc2ccccc2O)c1 ZINC000819397303 1131244468 /nfs/dbraw/zinc/24/44/68/1131244468.db2.gz JMEDTPZNWGAWQW-UHFFFAOYSA-N 0 0 281.355 3.508 20 10 CHCDRN Cc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000868070039 1124457169 /nfs/dbraw/zinc/45/71/69/1124457169.db2.gz ZORMGZPCTJUSOQ-UONOGXRCSA-N 0 0 298.386 3.822 20 10 CHCDRN C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])CC1CC1 ZINC000122921541 1124545591 /nfs/dbraw/zinc/54/55/91/1124545591.db2.gz NWIYTZXHAJVGMD-UHFFFAOYSA-N 0 0 260.164 3.541 20 10 CHCDRN C[C@H](CCC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204681 1124602152 /nfs/dbraw/zinc/60/21/52/1124602152.db2.gz OYLAIDIYHCAUBT-GFCCVEGCSA-N 0 0 275.392 3.697 20 10 CHCDRN CC1(C)CCC(CC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871203883 1124602683 /nfs/dbraw/zinc/60/26/83/1124602683.db2.gz VBFPJPGAZWRKJM-UHFFFAOYSA-N 0 0 287.403 3.841 20 10 CHCDRN O=C([C@@H](F)CC1CCCCC1)N1Cc2cccc(O)c2C1 ZINC000871205406 1124602907 /nfs/dbraw/zinc/60/29/07/1124602907.db2.gz RWQXDWZBHABPMP-HNNXBMFYSA-N 0 0 291.366 3.543 20 10 CHCDRN CCCC[C@H](C(=O)N1Cc2cccc(O)c2C1)C(C)C ZINC000871207231 1124603663 /nfs/dbraw/zinc/60/36/63/1124603663.db2.gz KYZLWJZOZQDFBV-AWEZNQCLSA-N 0 0 275.392 3.697 20 10 CHCDRN c1cnc(C2CC2)c(NCc2ccc(N3CCCC3)cc2)n1 ZINC001120255206 1131273309 /nfs/dbraw/zinc/27/33/09/1131273309.db2.gz ARIFLGINAZGPHR-UHFFFAOYSA-N 0 0 294.402 3.566 20 10 CHCDRN CC(=O)C(=O)CSC1CCC(c2ccccc2)CC1 ZINC000871698104 1124628611 /nfs/dbraw/zinc/62/86/11/1124628611.db2.gz JRASWPKIKRBVTR-UHFFFAOYSA-N 0 0 276.401 3.604 20 10 CHCDRN CCc1noc(C)c1CNc1ccccc1NC(C)C ZINC000871846338 1124645173 /nfs/dbraw/zinc/64/51/73/1124645173.db2.gz XDVGYYQCFXJBGI-UHFFFAOYSA-N 0 0 273.380 3.978 20 10 CHCDRN Cc1ncc(CNc2ccccc2NC(C)C)s1 ZINC000871845482 1124645411 /nfs/dbraw/zinc/64/54/11/1124645411.db2.gz BYXGMLQOTJNEDQ-UHFFFAOYSA-N 0 0 261.394 3.884 20 10 CHCDRN Cc1cc(C)c2c(c1)N(C(=O)C1=CC(=O)CS1)CCC2 ZINC000825633566 1124731099 /nfs/dbraw/zinc/73/10/99/1124731099.db2.gz AZGSCZZMZMGWLD-UHFFFAOYSA-N 0 0 287.384 3.664 20 10 CHCDRN CCOc1ccc(NCc2ccccc2O)cc1OCC ZINC000019912236 1124770197 /nfs/dbraw/zinc/77/01/97/1124770197.db2.gz YJBMWNCHGZJPNG-UHFFFAOYSA-N 0 0 287.359 3.802 20 10 CHCDRN COc1ccc(O)c([C@H](C)Nc2cccc(F)c2)c1 ZINC000019920831 1124772114 /nfs/dbraw/zinc/77/21/14/1124772114.db2.gz VVAXTQSSWRSVGL-JTQLQIEISA-N 0 0 261.296 3.713 20 10 CHCDRN CC1(C)CC(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000783718921 1131293319 /nfs/dbraw/zinc/29/33/19/1131293319.db2.gz XLHQGFJTXDJMFJ-UHFFFAOYSA-N 0 0 271.763 3.711 20 10 CHCDRN CC(C)n1ccc(-c2ccc3ccc(=O)n(C)c3c2)c1 ZINC001239079037 1131302094 /nfs/dbraw/zinc/30/20/94/1131302094.db2.gz PDMIVOLJZZLUAW-UHFFFAOYSA-N 0 0 266.344 3.588 20 10 CHCDRN CCCc1ccc(NCc2cccc(OC)c2O)cc1 ZINC000020136698 1124808183 /nfs/dbraw/zinc/80/81/83/1124808183.db2.gz JSJWQKKTMPPGDM-UHFFFAOYSA-N 0 0 271.360 3.965 20 10 CHCDRN CCOc1cccc(CNc2cccc3ncccc32)c1O ZINC000020826861 1124878203 /nfs/dbraw/zinc/87/82/03/1124878203.db2.gz XUXXCKZRDYGVEY-UHFFFAOYSA-N 0 0 294.354 3.951 20 10 CHCDRN CC(C)(C)C(=O)N1CCC[C@H](CSc2nccs2)C1 ZINC000821078254 1131319498 /nfs/dbraw/zinc/31/94/98/1131319498.db2.gz NHHDCAMTCPAJEX-NSHDSACASA-N 0 0 298.477 3.520 20 10 CHCDRN CCC[N@@H+](Cc1cccc(F)c1N)Cc1ccccc1O ZINC000876654263 1124967605 /nfs/dbraw/zinc/96/76/05/1124967605.db2.gz AQTFCZZREKVJDB-UHFFFAOYSA-N 0 0 288.366 3.526 20 10 CHCDRN C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])o1 ZINC000876945587 1124991698 /nfs/dbraw/zinc/99/16/98/1124991698.db2.gz FXRVKQWXAXTMSI-CABZTGNLSA-N 0 0 293.313 3.677 20 10 CHCDRN CN(C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21)c1ccc(N)cc1 ZINC000877075496 1125005562 /nfs/dbraw/zinc/00/55/62/1125005562.db2.gz DSCYWBHNFINHSL-XOKHGSTOSA-N 0 0 286.419 3.838 20 10 CHCDRN CN(C(=O)[C@]1(C)CCCc2ccccc21)c1ccc(N)cc1 ZINC000877078133 1125006272 /nfs/dbraw/zinc/00/62/72/1125006272.db2.gz DZHZYXVFJGCRKN-LJQANCHMSA-N 0 0 294.398 3.526 20 10 CHCDRN CN(C(=O)CCC(C)(C)c1ccccc1)c1ccc(N)cc1 ZINC000877076990 1125006335 /nfs/dbraw/zinc/00/63/35/1125006335.db2.gz ZTJADMLCVAFPSV-UHFFFAOYSA-N 0 0 296.414 3.990 20 10 CHCDRN CC[C@@H](C)Oc1ccc(C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877078051 1125006948 /nfs/dbraw/zinc/00/69/48/1125006948.db2.gz BBMBZCYWZGWDOC-CYBMUJFWSA-N 0 0 298.386 3.723 20 10 CHCDRN C[C@H](C1CC1)N(C(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000877139534 1125015145 /nfs/dbraw/zinc/01/51/45/1125015145.db2.gz QQNBKKNEZFMOTM-CQSZACIVSA-N 0 0 294.398 3.643 20 10 CHCDRN CCN(C)c1ccc([C@@H](C)NCc2csc(C)n2)cc1 ZINC000126555865 1125032895 /nfs/dbraw/zinc/03/28/95/1125032895.db2.gz NBYKQHWNCIOONS-GFCCVEGCSA-N 0 0 289.448 3.758 20 10 CHCDRN COc1cc(NCc2c(C)cccc2O)c(C)c(OC)c1 ZINC000877500244 1125037471 /nfs/dbraw/zinc/03/74/71/1125037471.db2.gz QDKHTPOFQMQOMB-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN [O-]c1c(F)c(F)ccc1C[NH+]1CCC(c2ccco2)CC1 ZINC000877621876 1125056509 /nfs/dbraw/zinc/05/65/09/1125056509.db2.gz BKRVABWZDVGFCG-UHFFFAOYSA-N 0 0 293.313 3.643 20 10 CHCDRN C[C@@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1O ZINC000877978845 1125108968 /nfs/dbraw/zinc/10/89/68/1125108968.db2.gz QQVISVOGJZQXET-GFCCVEGCSA-N 0 0 296.370 3.764 20 10 CHCDRN CCN(C(=O)/C(C)=C\c1cccnc1)c1ccccc1 ZINC001124336216 1131341030 /nfs/dbraw/zinc/34/10/30/1131341030.db2.gz DAOXBPCAAZZZDP-OWBHPGMISA-N 0 0 266.344 3.538 20 10 CHCDRN CC[C@@H](Nc1cccc(CCCO)c1)c1ccccc1O ZINC000128715417 1125297691 /nfs/dbraw/zinc/29/76/91/1125297691.db2.gz RFWNEOATPRXITD-QGZVFWFLSA-N 0 0 285.387 3.880 20 10 CHCDRN CCN(C(=O)/C=C/c1cnccc1C)c1ccc(F)cc1 ZINC000783774455 1125346612 /nfs/dbraw/zinc/34/66/12/1125346612.db2.gz WCDMBKDMDWWXDA-RUDMXATFSA-N 0 0 284.334 3.595 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)CC/C=C/c1ccccc1 ZINC000130524702 1125362525 /nfs/dbraw/zinc/36/25/25/1125362525.db2.gz CVUGZHJCJXCKSU-VZUCSPMQSA-N 0 0 295.382 3.844 20 10 CHCDRN CCCOc1ccccc1NCc1nc(C(C)C)c[nH]1 ZINC000883000526 1125367566 /nfs/dbraw/zinc/36/75/66/1125367566.db2.gz DUSSRUNSMHABLK-UHFFFAOYSA-N 0 0 273.380 3.934 20 10 CHCDRN CC[C@@H]([NH2+][C@H]1C[C@@H](COC)C1)c1cccc(Cl)c1[O-] ZINC000883319895 1125395697 /nfs/dbraw/zinc/39/56/97/1125395697.db2.gz UJLXTHCLOFDIPY-UHIISALHSA-N 0 0 283.799 3.511 20 10 CHCDRN CCOc1cccc(CN2CCCc3ccccc32)c1O ZINC000131721705 1125408743 /nfs/dbraw/zinc/40/87/43/1125408743.db2.gz DJKZPWJSPKIICI-UHFFFAOYSA-N 0 0 283.371 3.744 20 10 CHCDRN C[C@H]1CCCN(C(=O)C2=CC(=O)CS2)c2ccccc21 ZINC000832149046 1129184338 /nfs/dbraw/zinc/18/43/38/1129184338.db2.gz SBCKTNIYHVTMRV-NSHDSACASA-N 0 0 287.384 3.998 20 10 CHCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCC[C@H](F)CC1 ZINC001237808712 1129197525 /nfs/dbraw/zinc/19/75/25/1129197525.db2.gz VZGSXEWKTOLTSV-JTQLQIEISA-N 0 0 275.726 3.509 20 10 CHCDRN [O-]c1cc(Cl)c(F)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001237933606 1129219363 /nfs/dbraw/zinc/21/93/63/1129219363.db2.gz DUNUBWMEDYIWRN-PHIMTYICSA-N 0 0 283.774 3.807 20 10 CHCDRN Cc1ccn(-c2ccccc2NCc2cc(C)ccc2O)n1 ZINC000090201063 1129274860 /nfs/dbraw/zinc/27/48/60/1129274860.db2.gz YQCNJBFNVYEKOR-UHFFFAOYSA-N 0 0 293.370 3.807 20 10 CHCDRN C[C@H](CC1CCCC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000733913300 1129285590 /nfs/dbraw/zinc/28/55/90/1129285590.db2.gz GYJJLSVXRWGHPH-CQSZACIVSA-N 0 0 288.435 3.585 20 10 CHCDRN CC[C@H](CC1CCCC1)C(=O)NCc1ccccc1O ZINC000734092762 1129292738 /nfs/dbraw/zinc/29/27/38/1129292738.db2.gz ZXMHZVPBMFHNAC-CQSZACIVSA-N 0 0 275.392 3.615 20 10 CHCDRN CC[C@H](CC(=O)NCc1ccc(N(C)C)cc1C)C(C)C ZINC000734407171 1129308365 /nfs/dbraw/zinc/30/83/65/1129308365.db2.gz FBONHUXRFYBWLN-OAHLLOKOSA-N 0 0 290.451 3.750 20 10 CHCDRN Cc1cccc([C@H](C)NC(=O)C2=CC(=O)CS2)c1C ZINC000734558110 1129313342 /nfs/dbraw/zinc/31/33/42/1129313342.db2.gz OVYDEXIMLVJJKI-NSHDSACASA-N 0 0 275.373 3.562 20 10 CHCDRN COc1ccc(N(C)CCc2ccc(C)cc2)cc1OC ZINC000736309624 1129372051 /nfs/dbraw/zinc/37/20/51/1129372051.db2.gz ZTVWGFPZVODJTG-UHFFFAOYSA-N 0 0 285.387 3.691 20 10 CHCDRN C[C@@H]1CC[C@@H](C)[NH+]1Cc1cccc(Br)c1[O-] ZINC000091937699 1129375428 /nfs/dbraw/zinc/37/54/28/1129375428.db2.gz QGKPYFRTWHJHFT-NXEZZACHSA-N 0 0 284.197 3.528 20 10 CHCDRN Cc1noc(C)c1[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000092326842 1129386393 /nfs/dbraw/zinc/38/63/93/1129386393.db2.gz WAYLTOBKRAOHPK-RKDXNWHRSA-N 0 0 278.327 3.548 20 10 CHCDRN CC(C)(C)CCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000737794503 1129388051 /nfs/dbraw/zinc/38/80/51/1129388051.db2.gz SHKLEWRRAPBVKY-UHFFFAOYSA-N 0 0 288.435 3.729 20 10 CHCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(F)cc1F ZINC000738545347 1129393912 /nfs/dbraw/zinc/39/39/12/1129393912.db2.gz DLBYNQCBDGAOTQ-LBPRGKRZSA-N 0 0 297.326 3.613 20 10 CHCDRN COc1ccc2c(c1)CCCCN2CCCOC(C)C ZINC000766270867 1129433641 /nfs/dbraw/zinc/43/36/41/1129433641.db2.gz VORPJEVOHKGZKO-UHFFFAOYSA-N 0 0 277.408 3.653 20 10 CHCDRN CN(C)c1ccc(CNc2cc(F)c(F)c(F)c2)cc1F ZINC000795804269 1129448914 /nfs/dbraw/zinc/44/89/14/1129448914.db2.gz UXAAZVKRHZMGGY-UHFFFAOYSA-N 0 0 298.283 3.921 20 10 CHCDRN CCN(Cc1sc(C)nc1C)c1ccc(OC)cc1 ZINC000741781936 1129452985 /nfs/dbraw/zinc/45/29/85/1129452985.db2.gz RKYFPSABNGMKLN-UHFFFAOYSA-N 0 0 276.405 3.795 20 10 CHCDRN CC1=C(C)C[N@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC000796020253 1129462836 /nfs/dbraw/zinc/46/28/36/1129462836.db2.gz KOMTVRUBHDPPOE-UHFFFAOYSA-N 0 0 251.757 3.588 20 10 CHCDRN CCc1cnc(C[NH2+][C@@H](CC)c2ccc(F)cc2[O-])s1 ZINC000796775199 1129462995 /nfs/dbraw/zinc/46/29/95/1129462995.db2.gz JNHULMHMKIEBNQ-ZDUSSCGKSA-N 0 0 294.395 3.791 20 10 CHCDRN Cc1nccc(NCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000742405459 1129476814 /nfs/dbraw/zinc/47/68/14/1129476814.db2.gz KMYVMPPURLHDHL-UHFFFAOYSA-N 0 0 296.418 3.633 20 10 CHCDRN Cn1cnc2cc(NCc3ccc4occc4c3)ccc21 ZINC000796332685 1129545672 /nfs/dbraw/zinc/54/56/72/1129545672.db2.gz IQCSLWONCGHGLJ-UHFFFAOYSA-N 0 0 277.327 3.932 20 10 CHCDRN O=C(NCc1ccccc1O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000252725919 1129590897 /nfs/dbraw/zinc/59/08/97/1129590897.db2.gz HZZIMBPGNRPPPK-SOUVJXGZSA-N 0 0 287.403 3.615 20 10 CHCDRN CC(C)O[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1(C)C ZINC000766331516 1129605231 /nfs/dbraw/zinc/60/52/31/1129605231.db2.gz SFRGKVSDGBQWGJ-KNXALSJPSA-N 0 0 295.398 3.774 20 10 CHCDRN O=C(NCc1ccccc1O)c1cc2ccccc2cc1F ZINC001545682013 1129618779 /nfs/dbraw/zinc/61/87/79/1129618779.db2.gz NGOVPWRJYTZJRB-UHFFFAOYSA-N 0 0 295.313 3.615 20 10 CHCDRN CCCC[N@H+](CCc1ccncc1C)Cc1ccccc1O ZINC000828469285 1131386979 /nfs/dbraw/zinc/38/69/79/1131386979.db2.gz FEFIVVKKVDPSER-UHFFFAOYSA-N 0 0 298.430 3.940 20 10 CHCDRN CCCC[N@H+](CCc1cccc(C)n1)Cc1ccccc1O ZINC000828469831 1131387468 /nfs/dbraw/zinc/38/74/68/1131387468.db2.gz UEWXUMVNQBIEKJ-UHFFFAOYSA-N 0 0 298.430 3.940 20 10 CHCDRN CCCC[N@H+](CCC[C@H]1CCOC1)Cc1ccccc1O ZINC000828470293 1131387581 /nfs/dbraw/zinc/38/75/81/1131387581.db2.gz ZMKMDRVRMOXFOS-INIZCTEOSA-N 0 0 291.435 3.811 20 10 CHCDRN CCN(CC)c1ccc(CNc2cc3n(n2)CCCC3)cc1 ZINC000796520482 1129769147 /nfs/dbraw/zinc/76/91/47/1129769147.db2.gz JBZRZYHYLSRHKS-UHFFFAOYSA-N 0 0 298.434 3.678 20 10 CHCDRN CCC(C)(CC)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000767071509 1129775091 /nfs/dbraw/zinc/77/50/91/1129775091.db2.gz JLHSYAVPOQMSAC-UHFFFAOYSA-N 0 0 288.435 3.512 20 10 CHCDRN Cc1ccncc1/C=C\C(=O)N1CCc2cc(Cl)ccc21 ZINC000804347363 1129781284 /nfs/dbraw/zinc/78/12/84/1129781284.db2.gz JTZTUTLMZAODEN-DJWKRKHSSA-N 0 0 298.773 3.646 20 10 CHCDRN Cc1ccc(O)c(CNc2ncccc2C(C)C)c1 ZINC000767291078 1129785019 /nfs/dbraw/zinc/78/50/19/1129785019.db2.gz MCGMPTNZJMTLMJ-UHFFFAOYSA-N 0 0 256.349 3.831 20 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20 10 CHCDRN C[C@@H](C1CC1)[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768420911 1129857406 /nfs/dbraw/zinc/85/74/06/1129857406.db2.gz IXSOZNAQLIHPLO-QMMMGPOBSA-N 0 0 274.191 3.929 20 10 CHCDRN CC(C)O[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1(C)C ZINC000768523192 1129860357 /nfs/dbraw/zinc/86/03/57/1129860357.db2.gz DFFDSPDQQHMZBC-KBPBESRZSA-N 0 0 297.826 3.727 20 10 CHCDRN Cc1cc(Cl)cc(C)c1NCc1ccc(O)c(O)c1 ZINC001169994777 1129871936 /nfs/dbraw/zinc/87/19/36/1129871936.db2.gz HMOPRWQQVRZXLI-UHFFFAOYSA-N 0 0 277.751 3.980 20 10 CHCDRN Oc1ccc(CNc2cncc(-c3ccccc3)c2)cc1O ZINC001169994838 1129872347 /nfs/dbraw/zinc/87/23/47/1129872347.db2.gz JXLQGVKXTSMYPF-UHFFFAOYSA-N 0 0 292.338 3.772 20 10 CHCDRN Oc1ccc(CNc2ccc(-c3cccs3)nc2)cc1O ZINC001169996586 1129875964 /nfs/dbraw/zinc/87/59/64/1129875964.db2.gz CEVRIJLNMSBQKJ-UHFFFAOYSA-N 0 0 298.367 3.833 20 10 CHCDRN CSc1ccc(F)c(C)c1NCc1ccc(O)c(O)c1 ZINC001169997435 1129879433 /nfs/dbraw/zinc/87/94/33/1129879433.db2.gz XBIUUFPHIAPYHS-UHFFFAOYSA-N 0 0 293.363 3.879 20 10 CHCDRN CC[C@H](NC1(C(F)F)CC1)c1ccc(N(C)C)cc1 ZINC000800502566 1129880937 /nfs/dbraw/zinc/88/09/37/1129880937.db2.gz DFXYPCSWDMVBGH-ZDUSSCGKSA-N 0 0 268.351 3.591 20 10 CHCDRN CC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000828861129 1131404487 /nfs/dbraw/zinc/40/44/87/1131404487.db2.gz LUBXRUKRFMOTCS-VBQJREDUSA-N 0 0 288.435 3.756 20 10 CHCDRN Cc1cc(Cl)cc(CN2CCCC[C@H]2C(F)F)c1O ZINC000800533077 1129882774 /nfs/dbraw/zinc/88/27/74/1129882774.db2.gz GGJNFQNRNRSTIM-LBPRGKRZSA-N 0 0 289.753 3.974 20 10 CHCDRN CCCCN(Cc1ccccc1O)c1nc(C)cc(C)n1 ZINC000800887628 1129896221 /nfs/dbraw/zinc/89/62/21/1129896221.db2.gz XZODRXUGRPZIGT-UHFFFAOYSA-N 0 0 285.391 3.606 20 10 CHCDRN Oc1ccccc1CNc1ccc(OC(F)F)cc1F ZINC000800897223 1129896633 /nfs/dbraw/zinc/89/66/33/1129896633.db2.gz GYMLQECHDFGSFA-UHFFFAOYSA-N 0 0 283.249 3.745 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)c1cccc(O)c1 ZINC000801550242 1129926979 /nfs/dbraw/zinc/92/69/79/1129926979.db2.gz TUDVTJZDBQHNDI-UHFFFAOYSA-N 0 0 299.370 3.540 20 10 CHCDRN FC(F)(F)[C@H]1CCC[C@@H](CSc2nccs2)O1 ZINC000901477323 1129928474 /nfs/dbraw/zinc/92/84/74/1129928474.db2.gz OAZWTFLXHXFOLG-JGVFFNPUSA-N 0 0 283.340 3.735 20 10 CHCDRN COc1ccc(Cl)c(NCc2c(O)cccc2OC)c1 ZINC000770429548 1129947299 /nfs/dbraw/zinc/94/72/99/1129947299.db2.gz JKXBEJVSNJJBAU-UHFFFAOYSA-N 0 0 293.750 3.675 20 10 CHCDRN COc1cccc(O)c1CNc1cccc(-c2ncco2)c1 ZINC000770429667 1129947594 /nfs/dbraw/zinc/94/75/94/1129947594.db2.gz LFHQZUVAILUZPG-UHFFFAOYSA-N 0 0 296.326 3.668 20 10 CHCDRN CN(C)c1ccc(CN(C(=O)[C@]2(C)C=CCC2)C2CC2)cc1 ZINC000901950083 1129967042 /nfs/dbraw/zinc/96/70/42/1129967042.db2.gz ZHAZNOQZWXRXOP-LJQANCHMSA-N 0 0 298.430 3.600 20 10 CHCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCC2(C)C)cc1 ZINC000771846138 1129990623 /nfs/dbraw/zinc/99/06/23/1129990623.db2.gz OSFUNAPPLLRNPR-INIZCTEOSA-N 0 0 288.435 3.537 20 10 CHCDRN CCN(C(=O)/C=C/c1cncc(C)c1)c1ccc(C)cc1 ZINC000772046877 1130002166 /nfs/dbraw/zinc/00/21/66/1130002166.db2.gz MRMVIYLGQKBAOF-JXMROGBWSA-N 0 0 280.371 3.765 20 10 CHCDRN C[C@H](Nc1ccnc2ccsc21)c1ccc(N(C)C)cc1 ZINC000772297914 1130015790 /nfs/dbraw/zinc/01/57/90/1130015790.db2.gz OUBZAWMQURBPGS-LBPRGKRZSA-N 0 0 297.427 3.957 20 10 CHCDRN O=C(NCc1ccccc1O)Nc1ccc(C2CC2)cc1 ZINC000772571397 1130029369 /nfs/dbraw/zinc/02/93/69/1130029369.db2.gz ORDGMFMSNCSFDF-UHFFFAOYSA-N 0 0 282.343 3.591 20 10 CHCDRN COc1ccc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)cn1 ZINC000785567138 1130042665 /nfs/dbraw/zinc/04/26/65/1130042665.db2.gz MDAOBCXZKGWIDW-BXKDBHETSA-N 0 0 288.322 3.595 20 10 CHCDRN CC[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC000786975244 1130121881 /nfs/dbraw/zinc/12/18/81/1130121881.db2.gz UOKVOMPEFGSBCY-GWCFXTLKSA-N 0 0 274.330 3.744 20 10 CHCDRN CC(C)[C@H](N[C@@H](C)c1ccccc1O)C(F)(F)F ZINC000786981547 1130125029 /nfs/dbraw/zinc/12/50/29/1130125029.db2.gz IUXRQMCDUYCDQW-CABZTGNLSA-N 0 0 261.287 3.630 20 10 CHCDRN C[C@@H]([NH2+]CC(C)(C)C1CCOCC1)c1c([O-])cccc1F ZINC000903244448 1130134669 /nfs/dbraw/zinc/13/46/69/1130134669.db2.gz VLCSYLXPRIZAGR-GFCCVEGCSA-N 0 0 295.398 3.635 20 10 CHCDRN CCN(C)c1ccc(Cn2sc3ccccc3c2=O)cc1 ZINC000746655731 1130136388 /nfs/dbraw/zinc/13/63/88/1130136388.db2.gz UBVUIZNPTLATDP-UHFFFAOYSA-N 0 0 298.411 3.567 20 10 CHCDRN CCN(Cc1ccncc1Cl)c1ccc(OC)cc1 ZINC000746663217 1130139446 /nfs/dbraw/zinc/13/94/46/1130139446.db2.gz ORVWXYCQYCDBME-UHFFFAOYSA-N 0 0 276.767 3.770 20 10 CHCDRN Oc1cccc2c1[C@H](Nc1cccc(C3CC3)n1)CC2 ZINC000903269266 1130141381 /nfs/dbraw/zinc/14/13/81/1130141381.db2.gz QZHRSFKZZJWHRV-CQSZACIVSA-N 0 0 266.344 3.764 20 10 CHCDRN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1c([O-])cccc1F ZINC000903274050 1130142948 /nfs/dbraw/zinc/14/29/48/1130142948.db2.gz PJLJRWOEDXBFFD-YEJSDXFRSA-N 0 0 281.396 3.609 20 10 CHCDRN C[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccc(Cl)cc1[O-] ZINC000903279833 1130144339 /nfs/dbraw/zinc/14/43/39/1130144339.db2.gz QJTMQIBSDOMJDE-BSROQFBASA-N 0 0 295.810 3.654 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000903284939 1130146166 /nfs/dbraw/zinc/14/61/66/1130146166.db2.gz VEHKCTSGOYJCOD-CMPLNLGQSA-N 0 0 283.412 3.856 20 10 CHCDRN O=C(OCc1cc(Cl)ccc1F)C1=CC(=O)CS1 ZINC000787702990 1130159495 /nfs/dbraw/zinc/15/94/95/1130159495.db2.gz HYHPWZDSJHTSND-UHFFFAOYSA-N 0 0 286.711 3.603 20 10 CHCDRN CCC1(CC)CCCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000788018382 1130168958 /nfs/dbraw/zinc/16/89/58/1130168958.db2.gz OFXTYGCKPXOISH-UHFFFAOYSA-N 0 0 281.421 3.886 20 10 CHCDRN CCCn1cc(-c2ccc(-n3c(C)ccc3C)nc2)cn1 ZINC001240131448 1130220241 /nfs/dbraw/zinc/22/02/41/1130220241.db2.gz VGGDSSVTYNIDGA-UHFFFAOYSA-N 0 0 280.375 3.763 20 10 CHCDRN CC(C)Cc1ccc(C(=O)NCc2ccccc2O)cc1 ZINC000748352465 1130229880 /nfs/dbraw/zinc/22/98/80/1130229880.db2.gz CBDCWQUFPMZKPK-UHFFFAOYSA-N 0 0 283.371 3.521 20 10 CHCDRN Cc1cc(C)c(NC(=O)NCc2ccccc2O)c(C)c1 ZINC000748438791 1130231685 /nfs/dbraw/zinc/23/16/85/1130231685.db2.gz QBGQRBZSNBOAEN-UHFFFAOYSA-N 0 0 284.359 3.639 20 10 CHCDRN CCCC[C@H](CC)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000746805248 1130246484 /nfs/dbraw/zinc/24/64/84/1130246484.db2.gz LRWMVRJMYJASCC-AWEZNQCLSA-N 0 0 294.414 3.724 20 10 CHCDRN CCCC[C@@H](CCC)NC(=O)NCc1ccccc1O ZINC000748959225 1130256573 /nfs/dbraw/zinc/25/65/73/1130256573.db2.gz IORGAKIQKVTIMH-CQSZACIVSA-N 0 0 278.396 3.550 20 10 CHCDRN Cc1cc2c(cccc2-c2cnc3[nH]ccc3c2)n1C ZINC001240394225 1130290282 /nfs/dbraw/zinc/29/02/82/1130290282.db2.gz APTPFNPDSLBBOR-UHFFFAOYSA-N 0 0 261.328 3.982 20 10 CHCDRN O=C(NCc1ccccc1O)c1ccc(C2CCC2)cc1 ZINC000790794857 1130332000 /nfs/dbraw/zinc/33/20/00/1130332000.db2.gz UBCZUUMZQHBIOB-UHFFFAOYSA-N 0 0 281.355 3.590 20 10 CHCDRN Cc1cc2c(cccc2-c2cnn(CC3CC3)c2)n1C ZINC001240517594 1130341513 /nfs/dbraw/zinc/34/15/13/1130341513.db2.gz XRDAULXFQRAURK-UHFFFAOYSA-N 0 0 265.360 3.760 20 10 CHCDRN CC(C)Cn1cc(NCc2c(O)ccc(Cl)c2F)cn1 ZINC000790980076 1130344676 /nfs/dbraw/zinc/34/46/76/1130344676.db2.gz HFGPMRSGPKHJHQ-UHFFFAOYSA-N 0 0 297.761 3.649 20 10 CHCDRN Cc1ccncc1[C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790981500 1130345309 /nfs/dbraw/zinc/34/53/09/1130345309.db2.gz NDJGBXDDQVBSRE-JTQLQIEISA-N 0 0 294.757 3.739 20 10 CHCDRN O=C(/C=C\c1cccnc1)N1CC2(CCC2)c2ccccc21 ZINC000791019981 1130345847 /nfs/dbraw/zinc/34/58/47/1130345847.db2.gz MICDDCHEUOFYER-HJWRWDBZSA-N 0 0 290.366 3.563 20 10 CHCDRN CSc1ccncc1NCc1c(O)ccc(Cl)c1F ZINC000790982260 1130346716 /nfs/dbraw/zinc/34/67/16/1130346716.db2.gz FLZYIUPAIGQUIZ-UHFFFAOYSA-N 0 0 298.770 3.914 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)C(C)C ZINC000791122547 1130350537 /nfs/dbraw/zinc/35/05/37/1130350537.db2.gz AHMMFOHRDMRAJF-UHFFFAOYSA-N 0 0 284.403 3.883 20 10 CHCDRN Cn1ccc2ccc(-c3cncc(C(F)(F)F)n3)cc21 ZINC001240571628 1130366440 /nfs/dbraw/zinc/36/64/40/1130366440.db2.gz KIMOZMTXHSFBFA-UHFFFAOYSA-N 0 0 277.249 3.654 20 10 CHCDRN Cn1ccc2ccc(-c3nccc4ccn(C)c43)cc21 ZINC001240574169 1130368196 /nfs/dbraw/zinc/36/81/96/1130368196.db2.gz WNGDIEIAZKAEKV-UHFFFAOYSA-N 0 0 261.328 3.732 20 10 CHCDRN [O-]c1ccc(Cl)c(F)c1C[NH+]1CCCCCC1 ZINC000792156707 1130432543 /nfs/dbraw/zinc/43/25/43/1130432543.db2.gz LPWVIPADTFQOLO-UHFFFAOYSA-N 0 0 257.736 3.561 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)CC(F)(F)F)c1ccc(F)cc1[O-] ZINC000796943592 1130449166 /nfs/dbraw/zinc/44/91/66/1130449166.db2.gz OJMHVUVOYLBVOX-KWQFWETISA-N 0 0 279.277 3.913 20 10 CHCDRN COCc1csc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000827236969 1130510905 /nfs/dbraw/zinc/51/09/05/1130510905.db2.gz JIKZJSJHCIPGKN-UHFFFAOYSA-N 0 0 297.807 3.543 20 10 CHCDRN C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000793231492 1130532948 /nfs/dbraw/zinc/53/29/48/1130532948.db2.gz OPZYBCNIWWCXGU-PSASIEDQSA-N 0 0 293.716 3.818 20 10 CHCDRN Oc1c(F)cc(Cl)cc1CNc1cccc2c1CCO2 ZINC000793324529 1130542731 /nfs/dbraw/zinc/54/27/31/1130542731.db2.gz DJDGNZNNYMCCAT-UHFFFAOYSA-N 0 0 293.725 3.732 20 10 CHCDRN CCC[C@](C)(CC)C(=O)NCc1ccc(N(C)C)cc1C ZINC000793512770 1130561348 /nfs/dbraw/zinc/56/13/48/1130561348.db2.gz DTHDOQUDCNFVSS-SFHVURJKSA-N 0 0 290.451 3.894 20 10 CHCDRN Cc1cc(C)c(O)c(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)c1 ZINC000793569089 1130570318 /nfs/dbraw/zinc/57/03/18/1130570318.db2.gz BPYGZIHOAIEHCL-SFHVURJKSA-N 0 0 296.414 3.987 20 10 CHCDRN COc1ccc(N(Cc2ccncc2)CC(C)C)cc1 ZINC000747682592 1130592701 /nfs/dbraw/zinc/59/27/01/1130592701.db2.gz OSEQEEOAESEHJU-UHFFFAOYSA-N 0 0 270.376 3.753 20 10 CHCDRN COc1ccc2c(c1)CCCCN2C[C@@H]1CCSC1 ZINC000811508327 1130617193 /nfs/dbraw/zinc/61/71/93/1130617193.db2.gz MBJZEDOWPOPQCD-ZDUSSCGKSA-N 0 0 277.433 3.591 20 10 CHCDRN CC1(C)C[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H]1C1CC1 ZINC000811513825 1130620387 /nfs/dbraw/zinc/62/03/87/1130620387.db2.gz RSAQBNWXQSKEKS-CQSZACIVSA-N 0 0 283.774 3.805 20 10 CHCDRN Cc1ccc2c(c1)N(C(=O)/C=C/c1ccc(Cl)nc1)CC2 ZINC000758881238 1130628291 /nfs/dbraw/zinc/62/82/91/1130628291.db2.gz NWYIFAPHUUTWHV-QPJJXVBHSA-N 0 0 298.773 3.646 20 10 CHCDRN CCC1CCC(Oc2cc(O)c(O)cc2C(C)=O)CC1 ZINC001234475735 1130647507 /nfs/dbraw/zinc/64/75/07/1130647507.db2.gz 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C[C@H]1CC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236793468 1131007986 /nfs/dbraw/zinc/00/79/86/1131007986.db2.gz KVTWBMPGSATYTP-QMMMGPOBSA-N 0 0 260.164 3.541 20 10 CHCDRN C[C@H](CC1CCCC1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827978491 1131013204 /nfs/dbraw/zinc/01/32/04/1131013204.db2.gz VLZWTZPTYIWFAY-OLZOCXBDSA-N 0 0 275.392 3.786 20 10 CHCDRN C[C@@H](NCC(C)(F)F)c1cc2c(cc1O)CCCC2 ZINC000815644502 1131015473 /nfs/dbraw/zinc/01/54/73/1131015473.db2.gz DAOHLFMXXCXXJR-SNVBAGLBSA-N 0 0 269.335 3.577 20 10 CHCDRN O=[N+]([O-])c1ccc(Cl)c(CSc2nccs2)c1 ZINC000040676415 1131023589 /nfs/dbraw/zinc/02/35/89/1131023589.db2.gz HSLNYWTVLGPTDO-UHFFFAOYSA-N 0 0 286.765 3.997 20 10 CHCDRN C[C@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237077107 1131045005 /nfs/dbraw/zinc/04/50/05/1131045005.db2.gz CVSYLEQQDXGIJN-QMMMGPOBSA-N 0 0 260.164 3.541 20 10 CHCDRN CC1(C)CN(Cc2c(O)ccc(Cl)c2Cl)C1 ZINC001237077686 1131047698 /nfs/dbraw/zinc/04/76/98/1131047698.db2.gz JHQQZNUKXBDYKJ-UHFFFAOYSA-N 0 0 260.164 3.541 20 10 CHCDRN CC[C@H]1CCCC[N@@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237126104 1131056224 /nfs/dbraw/zinc/05/62/24/1131056224.db2.gz JAYJGCPDALAVEW-JTQLQIEISA-N 0 0 271.763 3.949 20 10 CHCDRN C[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000798963056 1131064220 /nfs/dbraw/zinc/06/42/20/1131064220.db2.gz WENOGKQGQREXPZ-ZJUUUORDSA-N 0 0 271.763 3.711 20 10 CHCDRN COC(=O)CC1(CSc2ncc(C(C)(C)C)s2)CC1 ZINC000799306294 1131079010 /nfs/dbraw/zinc/07/90/10/1131079010.db2.gz VLJYJWXVRRNECK-UHFFFAOYSA-N 0 0 299.461 3.876 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(N[C@H]2CCOC[C@@H]2C)cc1 ZINC001170821858 1131079024 /nfs/dbraw/zinc/07/90/24/1131079024.db2.gz YQBMRMKPELDLPN-UGSOOPFHSA-N 0 0 284.403 3.931 20 10 CHCDRN Cc1cccc(C2(C(=O)N[C@@H](C)c3ccccc3O)CC2)c1 ZINC000827977969 1131095294 /nfs/dbraw/zinc/09/52/94/1131095294.db2.gz DTAMTXSIQALGOS-AWEZNQCLSA-N 0 0 295.382 3.610 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000816477932 1131096558 /nfs/dbraw/zinc/09/65/58/1131096558.db2.gz 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JGRHFTWKPGPRFE-UHFFFAOYSA-N 0 0 269.747 3.775 20 10 CHCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001139682705 1131112001 /nfs/dbraw/zinc/11/20/01/1131112001.db2.gz BEZAGXSMWMAMDV-NHYWBVRUSA-N 0 0 281.346 3.825 20 10 CHCDRN Oc1c(CN[C@H]2CCCC2(F)F)ccc2ccccc21 ZINC000816612223 1131115215 /nfs/dbraw/zinc/11/52/15/1131115215.db2.gz JPNUNHGTWHMNIY-AWEZNQCLSA-N 0 0 277.314 3.823 20 10 CHCDRN C[C@H](Sc1ncc([N+](=O)[O-])s1)c1cccs1 ZINC000799939803 1131117019 /nfs/dbraw/zinc/11/70/19/1131117019.db2.gz SEIUYWXNBBRKJN-LURJTMIESA-N 0 0 272.376 3.966 20 10 CHCDRN Cc1cc(Cl)cc(CN2CC[C@](C)(F)[C@@H](F)C2)c1O ZINC001237682046 1131126742 /nfs/dbraw/zinc/12/67/42/1131126742.db2.gz VLBHFAQCTCPCEV-JSGCOSHPSA-N 0 0 289.753 3.626 20 10 CHCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001237799992 1131140796 /nfs/dbraw/zinc/14/07/96/1131140796.db2.gz LTXBOWSFFAQZLU-MNOVXSKESA-N 0 0 283.774 3.807 20 10 CHCDRN Cc1c(C)n(C)c2ccc(OC(=O)OCCCF)cc12 ZINC000817151955 1131144902 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ZINC000817950123 1131190698 /nfs/dbraw/zinc/19/06/98/1131190698.db2.gz SAIOHPQJHSGVIG-LBPRGKRZSA-N 0 0 268.360 3.842 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](C)[C@@H]2C)cc1 ZINC000818467441 1131215445 /nfs/dbraw/zinc/21/54/45/1131215445.db2.gz UBRKLVDWDCPFRL-DOMZBBRYSA-N 0 0 282.387 3.575 20 10 CHCDRN Cc1ccc(Cl)cc1N(C)C(=O)/C=C/c1cccnc1 ZINC000818814580 1131220699 /nfs/dbraw/zinc/22/06/99/1131220699.db2.gz ANTSRCADTDODCG-SOFGYWHQSA-N 0 0 286.762 3.720 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1ccc(F)cc1[O-] ZINC001118427531 1131225981 /nfs/dbraw/zinc/22/59/81/1131225981.db2.gz LXZDWIADAQATGG-PMEZXALUSA-N 0 0 285.309 3.616 20 10 CHCDRN CC(C)C[NH+](Cc1c([O-])cccc1F)CC(C)C ZINC001137831991 1131420648 /nfs/dbraw/zinc/42/06/48/1131420648.db2.gz VVPFMNXVCJWSTG-UHFFFAOYSA-N 0 0 253.361 3.645 20 10 CHCDRN [O-]c1cccc(F)c1C[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001137838448 1131421038 /nfs/dbraw/zinc/42/10/38/1131421038.db2.gz AEQDAAHTDDNVLQ-GFCCVEGCSA-N 0 0 281.346 3.636 20 10 CHCDRN Cc1cc(CN2CC(C)(F)C2)c(C)n1-c1ccccc1 ZINC001137855768 1131423748 /nfs/dbraw/zinc/42/37/48/1131423748.db2.gz FBWIIHKWZGVIGD-UHFFFAOYSA-N 0 0 272.367 3.638 20 10 CHCDRN Cc1cc(CN(C)Cc2ccno2)c(C)n1-c1ccccc1 ZINC001137859017 1131425391 /nfs/dbraw/zinc/42/53/91/1131425391.db2.gz FHGRQTMNMKAFLM-UHFFFAOYSA-N 0 0 295.386 3.714 20 10 CHCDRN C[C@H](NC(=O)[C@]1(C)CC=CCC1)c1ccc(N(C)C)cc1 ZINC000829816371 1131435069 /nfs/dbraw/zinc/43/50/69/1131435069.db2.gz ACVYFKQVCZQIMX-KBXCAEBGSA-N 0 0 286.419 3.676 20 10 CHCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1[O-] ZINC000830585481 1131461182 /nfs/dbraw/zinc/46/11/82/1131461182.db2.gz FPIUIECFVITILV-WKPIXPDZSA-N 0 0 293.794 3.526 20 10 CHCDRN O=C(OC1CCC1)N(Cc1ccccc1O)C1CCCC1 ZINC000830627653 1131463358 /nfs/dbraw/zinc/46/33/58/1131463358.db2.gz LKESKSOTYWPCRV-UHFFFAOYSA-N 0 0 289.375 3.826 20 10 CHCDRN [O-]c1c(F)cccc1C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001138128387 1131470336 /nfs/dbraw/zinc/47/03/36/1131470336.db2.gz GWGMRWVTTIAASH-UHFFFAOYSA-N 0 0 281.346 3.636 20 10 CHCDRN C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000824716151 1131480960 /nfs/dbraw/zinc/48/09/60/1131480960.db2.gz SHSSECGJKNTKDH-MWLCHTKSSA-N 0 0 291.288 3.694 20 10 CHCDRN Cc1c(C[N@@H+]2CCCC[C@@H](F)C2)c2ccccc2n1C ZINC001138252812 1131482602 /nfs/dbraw/zinc/48/26/02/1131482602.db2.gz VOWOEZLIPWAZDS-CQSZACIVSA-N 0 0 274.383 3.811 20 10 CHCDRN Cc1nc2c(s1)CN(Cc1c(C)n(C)c3ccccc31)C2 ZINC001138259569 1131482933 /nfs/dbraw/zinc/48/29/33/1131482933.db2.gz JITJXKNOEMEWAW-UHFFFAOYSA-N 0 0 297.427 3.767 20 10 CHCDRN Cc1cc(O)c(CN(CC(F)F)C2CC2)cc1Cl ZINC000824762406 1131485243 /nfs/dbraw/zinc/48/52/43/1131485243.db2.gz SLPXXOOQMTVKDB-UHFFFAOYSA-N 0 0 275.726 3.584 20 10 CHCDRN COc1ccc(N(Cc2cncc(F)c2)CC2CC2)cc1 ZINC000831588168 1131490980 /nfs/dbraw/zinc/49/09/80/1131490980.db2.gz UFTWUTUTRIMWSX-UHFFFAOYSA-N 0 0 286.350 3.646 20 10 CHCDRN Cc1cc(O)c(CNc2ccc(CCO)cc2)cc1Cl ZINC000824984258 1131493750 /nfs/dbraw/zinc/49/37/50/1131493750.db2.gz VNYDAMPOOZPVKS-UHFFFAOYSA-N 0 0 291.778 3.501 20 10 CHCDRN Cc1cc(C)cc(NC(=O)NCc2c(C)cc(C)cc2O)c1 ZINC001202852994 1131535142 /nfs/dbraw/zinc/53/51/42/1131535142.db2.gz OAMDOMSGVHZNLE-UHFFFAOYSA-N 0 0 298.386 3.948 20 10 CHCDRN Oc1cccc2c1CN(Cc1cc(F)ccc1Cl)CC2 ZINC001138675115 1131535922 /nfs/dbraw/zinc/53/59/22/1131535922.db2.gz MOGDXSFHKOCLCD-UHFFFAOYSA-N 0 0 291.753 3.743 20 10 CHCDRN COc1ccc(N(C)Cc2csc(C(C)C)n2)cc1 ZINC000844353465 1131554336 /nfs/dbraw/zinc/55/43/36/1131554336.db2.gz OUBAIJOCBZDQGN-UHFFFAOYSA-N 0 0 276.405 3.912 20 10 CHCDRN CCN(Cc1ccccc1O)Cc1cc(F)cnc1Cl ZINC001138896330 1131558727 /nfs/dbraw/zinc/55/87/27/1131558727.db2.gz YLZIRZWAEDMIBH-UHFFFAOYSA-N 0 0 294.757 3.602 20 10 CHCDRN CN(Cc1ccccc1O)Cc1cc(Cl)c(F)cc1F ZINC001144135680 1131589420 /nfs/dbraw/zinc/58/94/20/1131589420.db2.gz YYAIWJNFVQRBHA-UHFFFAOYSA-N 0 0 297.732 3.956 20 10 CHCDRN Nc1ccc(N(CCO)c2csc3ccccc32)cc1 ZINC001202966756 1131634494 /nfs/dbraw/zinc/63/44/94/1131634494.db2.gz XTDMHLQVYXFUKV-UHFFFAOYSA-N 0 0 284.384 3.614 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845790265 1131660801 /nfs/dbraw/zinc/66/08/01/1131660801.db2.gz ACELJKAENQAJCL-JKSUJKDBSA-N 0 0 287.403 3.567 20 10 CHCDRN Oc1cccc(Br)c1C[N@H+](CC1CC1)C1CC1 ZINC001140103594 1131663715 /nfs/dbraw/zinc/66/37/15/1131663715.db2.gz QEDJVFZOKTYHCW-UHFFFAOYSA-N 0 0 296.208 3.529 20 10 CHCDRN COc1ccc(N(C)Cc2cnc(Cl)c(C)c2)cc1 ZINC000845999201 1131676866 /nfs/dbraw/zinc/67/68/66/1131676866.db2.gz RTBYJKSPQRVJPG-UHFFFAOYSA-N 0 0 276.767 3.688 20 10 CHCDRN Oc1c(CN2CCCC(F)(F)C2)ccc2ccccc21 ZINC000846015895 1131678518 /nfs/dbraw/zinc/67/85/18/1131678518.db2.gz OMLFCIXVGUHCQJ-UHFFFAOYSA-N 0 0 277.314 3.777 20 10 CHCDRN COc1ccc(N[C@H](C)c2cccc(OC)c2O)cc1F ZINC000846159034 1131692094 /nfs/dbraw/zinc/69/20/94/1131692094.db2.gz LXOVVJIKUMPNML-SNVBAGLBSA-N 0 0 291.322 3.722 20 10 CHCDRN COc1cccc([C@H](C)Nc2ccc(C)cc2)c1O ZINC000846157159 1131692373 /nfs/dbraw/zinc/69/23/73/1131692373.db2.gz BGRQYQRUKQEDGE-LBPRGKRZSA-N 0 0 257.333 3.882 20 10 CHCDRN CCOc1ccccc1N[C@@H](C)c1cccc(OC)c1O ZINC000846164324 1131692927 /nfs/dbraw/zinc/69/29/27/1131692927.db2.gz UVMIVMDQXZXMNL-LBPRGKRZSA-N 0 0 287.359 3.973 20 10 CHCDRN COc1cccc([C@H](C)Nc2ccc(SC)cn2)c1O ZINC000846161433 1131693047 /nfs/dbraw/zinc/69/30/47/1131693047.db2.gz ZAVOFXARCYBUBI-JTQLQIEISA-N 0 0 290.388 3.691 20 10 CHCDRN COc1cccc(N[C@H](C)c2cccc(OC)c2O)c1 ZINC000846159395 1131693249 /nfs/dbraw/zinc/69/32/49/1131693249.db2.gz OAUBAIIJYYAKRK-LLVKDONJSA-N 0 0 273.332 3.583 20 10 CHCDRN C[C@@H]([NH2+]C1CC2(CCC2)C1)c1cc(F)cc(F)c1[O-] ZINC000846211031 1131695757 /nfs/dbraw/zinc/69/57/57/1131695757.db2.gz FQBJAQRRTIPYDT-SECBINFHSA-N 0 0 267.319 3.654 20 10 CHCDRN Oc1cccc(Cl)c1CN1CCC[C@H]1C(F)(F)F ZINC001140338005 1131702797 /nfs/dbraw/zinc/70/27/97/1131702797.db2.gz QMIKFMXBRJVORC-NSHDSACASA-N 0 0 279.689 3.572 20 10 CHCDRN CO[C@H]1Cc2ccc(N[C@H]3CCc4cccc(O)c43)cc2C1 ZINC000834766743 1131703668 /nfs/dbraw/zinc/70/36/68/1131703668.db2.gz XNHSSPLWYMWWSV-IRXDYDNUSA-N 0 0 295.382 3.605 20 10 CHCDRN CC[C@H](N[C@H](C)c1ccc(C)c(C)c1O)C(F)F ZINC000834828535 1131707671 /nfs/dbraw/zinc/70/76/71/1131707671.db2.gz VFOYNEYJHHTXLU-PWSUYJOCSA-N 0 0 257.324 3.703 20 10 CHCDRN CC[C@@H](N[C@H](CC)C(F)F)c1ccc(N(C)C)cc1 ZINC000834827075 1131707728 /nfs/dbraw/zinc/70/77/28/1131707728.db2.gz IAOSSEDXGDYHTK-ZIAGYGMSSA-N 0 0 270.367 3.837 20 10 CHCDRN CC(C)(C)C(C)(C)C(=O)NCc1cc(Cl)ccc1O ZINC000846478042 1131711498 /nfs/dbraw/zinc/71/14/98/1131711498.db2.gz YRJQODPNMFBSQW-UHFFFAOYSA-N 0 0 283.799 3.734 20 10 CHCDRN CC[C@@H]([NH2+][C@@H]1COCC1(C)C)c1cccc(Cl)c1[O-] ZINC000834903112 1131727601 /nfs/dbraw/zinc/72/76/01/1131727601.db2.gz ILDLLGYKSTYRBY-CHWSQXEVSA-N 0 0 283.799 3.511 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000834909827 1131730403 /nfs/dbraw/zinc/73/04/03/1131730403.db2.gz MHCOOPQOOILOHN-SWLSCSKDSA-N 0 0 295.398 3.777 20 10 CHCDRN CCC(C)(C)OCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000834916145 1131733512 /nfs/dbraw/zinc/73/35/12/1131733512.db2.gz VHWJWNNNOMCAGY-JTQLQIEISA-N 0 0 287.350 3.526 20 10 CHCDRN Cc1cccc(CNc2nc(Cl)ccc2F)c1O ZINC001160764081 1131740165 /nfs/dbraw/zinc/74/01/65/1131740165.db2.gz AKSQPTYTAGYNQW-UHFFFAOYSA-N 0 0 266.703 3.500 20 10 CHCDRN Cc1cccc(CNc2nc3[nH]ccc3cc2Cl)c1O ZINC001160769872 1131747646 /nfs/dbraw/zinc/74/76/46/1131747646.db2.gz LYZRVTXWLBSPHZ-UHFFFAOYSA-N 0 0 287.750 3.794 20 10 CHCDRN C[C@]1(CF)CC(F)(F)CN1Cc1ccc(Cl)cc1O ZINC001140462530 1131748789 /nfs/dbraw/zinc/74/87/89/1131748789.db2.gz IGXWMOKBJHDENO-GFCCVEGCSA-N 0 0 293.716 3.615 20 10 CHCDRN CN(c1ccc(N)cc1)c1cccc(Cl)c1F ZINC001203039519 1131751554 /nfs/dbraw/zinc/75/15/54/1131751554.db2.gz MYXLMQRZMSRCAH-UHFFFAOYSA-N 0 0 250.704 3.829 20 10 CHCDRN Oc1cc(Cl)ccc1CN1CCCC[C@@H]1C(F)(F)F ZINC001140466211 1131752302 /nfs/dbraw/zinc/75/23/02/1131752302.db2.gz BGGMYVHSBHUAAL-GFCCVEGCSA-N 0 0 293.716 3.962 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]CCC1CC(F)(F)C1 ZINC000835059385 1131766471 /nfs/dbraw/zinc/76/64/71/1131766471.db2.gz INEORTQADATHRH-UHFFFAOYSA-N 0 0 275.726 3.571 20 10 CHCDRN O=C(c1ccccc1)c1ccc(O)c(O)c1OC1CCCC1 ZINC001227938563 1131771506 /nfs/dbraw/zinc/77/15/06/1131771506.db2.gz WJRWMQPOMQVWMV-UHFFFAOYSA-N 0 0 298.338 3.650 20 10 CHCDRN CN(C)c1ccc(O[C@H]2CCCc3cccnc32)cc1 ZINC001227939965 1131772395 /nfs/dbraw/zinc/77/23/95/1131772395.db2.gz HAEGNTUUIOJMQY-INIZCTEOSA-N 0 0 268.360 3.604 20 10 CHCDRN CN(C)c1ccc(OC2CCC(F)(F)CC2)cc1 ZINC001227938987 1131772716 /nfs/dbraw/zinc/77/27/16/1131772716.db2.gz HUNQVAMQVDHHKX-UHFFFAOYSA-N 0 0 255.308 3.709 20 10 CHCDRN C[C@H](COc1ccccc1)Oc1ccc(N(C)C)cc1 ZINC001227939183 1131772940 /nfs/dbraw/zinc/77/29/40/1131772940.db2.gz NZXOOIIWKCAIIX-CQSZACIVSA-N 0 0 271.360 3.599 20 10 CHCDRN CCCCc1cc(NCc2c(C)cc(C)cc2O)ncn1 ZINC001160811755 1131778269 /nfs/dbraw/zinc/77/82/69/1131778269.db2.gz WDUKFBIKLXXTDT-UHFFFAOYSA-N 0 0 285.391 3.754 20 10 CHCDRN COc1ccc(N(CC[C@@H]2CCOC2)CC(C)C)cc1 ZINC001171280071 1131791835 /nfs/dbraw/zinc/79/18/35/1131791835.db2.gz ZHJGYRISXDDJDE-OAHLLOKOSA-N 0 0 277.408 3.584 20 10 CHCDRN C/C(=C/C(=O)NCc1cc(C)ccc1O)c1cccc(F)c1 ZINC001147956984 1131840775 /nfs/dbraw/zinc/84/07/75/1131840775.db2.gz LDNNGUITXHTPCJ-LCYFTJDESA-N 0 0 299.345 3.559 20 10 CHCDRN C[C@H](NC(=O)NC1C[C@H](C)C[C@@H](C)C1)c1ccccc1O ZINC001228374018 1131869436 /nfs/dbraw/zinc/86/94/36/1131869436.db2.gz DFZUBCLNJRLPNK-UPJWGTAASA-N 0 0 290.407 3.577 20 10 CHCDRN CC(C)C[C@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000772998328 1131909652 /nfs/dbraw/zinc/90/96/52/1131909652.db2.gz JFSQZNBENKHDBF-UONOGXRCSA-N 0 0 276.424 3.612 20 10 CHCDRN Cc1ccc(C)c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773007801 1131917498 /nfs/dbraw/zinc/91/74/98/1131917498.db2.gz KVLZNENVYTYINV-OAHLLOKOSA-N 0 0 296.414 3.860 20 10 CHCDRN C[C@@H](NC(=O)CCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000773019966 1131920730 /nfs/dbraw/zinc/92/07/30/1131920730.db2.gz ROVWLHJKMSVMMI-OAHLLOKOSA-N 0 0 296.414 3.563 20 10 CHCDRN CC[C@H](C)C[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC001228756982 1131951538 /nfs/dbraw/zinc/95/15/38/1131951538.db2.gz PLBBYFYRKIAYRU-YNEHKIRRSA-N 0 0 278.396 3.577 20 10 CHCDRN CN(C)c1ccc(CNC(=O)C2=CCC(C)(C)CC2)cc1 ZINC000836240709 1131954838 /nfs/dbraw/zinc/95/48/38/1131954838.db2.gz WUPVLTZCKKHNIV-UHFFFAOYSA-N 0 0 286.419 3.505 20 10 CHCDRN C[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)cc1Cl ZINC001140921365 1131962570 /nfs/dbraw/zinc/96/25/70/1131962570.db2.gz CFZNJPOUGOLYIJ-LBPRGKRZSA-N 0 0 266.816 3.780 20 10 CHCDRN CC(C)C1CC([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000714668635 1131974135 /nfs/dbraw/zinc/97/41/35/1131974135.db2.gz RDIRNSXWELJHIE-UHFFFAOYSA-N 0 0 298.224 3.679 20 10 CHCDRN COc1cccc(CCC[N@H+](C)Cc2ccc(C)cc2O)c1 ZINC001140957621 1131973935 /nfs/dbraw/zinc/97/39/35/1131973935.db2.gz FOHRWGQNJJQGTB-UHFFFAOYSA-N 0 0 299.414 3.774 20 10 CHCDRN CCC[C@H](CC)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773240414 1132011540 /nfs/dbraw/zinc/01/15/40/1132011540.db2.gz DSGSIDGJGFLESX-ZFWWWQNUSA-N 0 0 291.439 3.692 20 10 CHCDRN C[C@@H](NC(=O)c1cscc1Cl)c1ccccc1O ZINC001171723247 1132083810 /nfs/dbraw/zinc/08/38/10/1132083810.db2.gz PVEMWAGCXXUZJC-MRVPVSSYSA-N 0 0 281.764 3.598 20 10 CHCDRN C[C@@H](NC(=O)[C@H](F)CC1CCCCC1)c1ccccc1O ZINC001171723523 1132084795 /nfs/dbraw/zinc/08/47/95/1132084795.db2.gz SQVUFAKAAWYHFJ-IUODEOHRSA-N 0 0 293.382 3.878 20 10 CHCDRN Cc1ccc(CCCC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001171729675 1132086299 /nfs/dbraw/zinc/08/62/99/1132086299.db2.gz GBPJNTFMSJTCPT-HNNXBMFYSA-N 0 0 297.398 3.901 20 10 CHCDRN C[N@@H+]1CC[C@@H](OC2=CC(=O)C=CC2=NNc2ccccc2)C1 ZINC001229814324 1132120703 /nfs/dbraw/zinc/12/07/03/1132120703.db2.gz OPXCILYLFJVDKM-AMGRQBIBSA-N 0 0 297.358 3.891 20 10 CHCDRN Oc1cccc(Nc2ccc(C3CCOCC3)cc2)c1O ZINC001212654042 1132153274 /nfs/dbraw/zinc/15/32/74/1132153274.db2.gz GNHKEVFBJKSATK-UHFFFAOYSA-N 0 0 285.343 3.735 20 10 CHCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1[O-] ZINC000839195705 1132191075 /nfs/dbraw/zinc/19/10/75/1132191075.db2.gz FPIUIECFVITILV-ONERCXAPSA-N 0 0 293.794 3.526 20 10 CHCDRN CC(=O)c1ccc2c(c1)CN(Cc1cc(C)cc(C)c1O)C2 ZINC000840175240 1132249893 /nfs/dbraw/zinc/24/98/93/1132249893.db2.gz RZBWTIOBUGJEGB-UHFFFAOYSA-N 0 0 295.382 3.727 20 10 CHCDRN Cc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])nc1C ZINC000840782925 1132286284 /nfs/dbraw/zinc/28/62/84/1132286284.db2.gz GFDLZHPCQJASEV-NSHDSACASA-N 0 0 292.329 3.533 20 10 CHCDRN C[C@H](Nc1cccc([C@H]2CCC(=O)N2)c1)c1ccccc1O ZINC000840884399 1132302741 /nfs/dbraw/zinc/30/27/41/1132302741.db2.gz MBNBWAYAVASSDP-BLLLJJGKSA-N 0 0 296.370 3.516 20 10 CHCDRN Cc1cc(N(C)C)ccc1CN1CCCC[C@H]1c1ncc[nH]1 ZINC000840912392 1132308310 /nfs/dbraw/zinc/30/83/10/1132308310.db2.gz GGBWVBQGAHHYND-KRWDZBQOSA-N 0 0 298.434 3.511 20 10 CHCDRN Cc1cc(O)c(CN(C)Cc2cnccc2C)c(Cl)c1 ZINC000840941521 1132312171 /nfs/dbraw/zinc/31/21/71/1132312171.db2.gz YRKNGNSQCBYEHB-UHFFFAOYSA-N 0 0 290.794 3.689 20 10 CHCDRN Nc1ccc(N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000841040597 1132322486 /nfs/dbraw/zinc/32/24/86/1132322486.db2.gz PITXLNMQQQVXSG-JOYOIKCWSA-N 0 0 258.287 3.802 20 10 CHCDRN COc1cccc(CNc2ccc(N)cc2)c1OC(C)C ZINC000841039846 1132323366 /nfs/dbraw/zinc/32/33/66/1132323366.db2.gz CFKITCZZGAJMLO-UHFFFAOYSA-N 0 0 286.375 3.677 20 10 CHCDRN CCN(CC)c1ccc(CNc2ccc(N)c(OC)c2)cc1 ZINC000841042672 1132323848 /nfs/dbraw/zinc/32/38/48/1132323848.db2.gz LTLRMPSSEGDVDQ-UHFFFAOYSA-N 0 0 299.418 3.736 20 10 CHCDRN CC[C@H](c1ccncc1)N(CC)C(=O)Nc1ccc(N)cc1 ZINC000841299609 1132342739 /nfs/dbraw/zinc/34/27/39/1132342739.db2.gz GEMHVIZJWRRTIO-MRXNPFEDSA-N 0 0 298.390 3.669 20 10 CHCDRN CC1(C)CN(C(=O)Nc2ccc(N)cc2)CC(C)(C)C1 ZINC000841295757 1132342843 /nfs/dbraw/zinc/34/28/43/1132342843.db2.gz FKWRMBAOFYELML-UHFFFAOYSA-N 0 0 275.396 3.559 20 10 CHCDRN Cc1ccc([C@H]2CCCN2C(=O)Nc2ccc(N)cc2)cc1 ZINC000841301834 1132344524 /nfs/dbraw/zinc/34/45/24/1132344524.db2.gz FHNZNMBPTYYZPG-QGZVFWFLSA-N 0 0 295.386 3.946 20 10 CHCDRN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841301753 1132344793 /nfs/dbraw/zinc/34/47/93/1132344793.db2.gz YGGGLHGWOGLSIJ-XJKSGUPXSA-N 0 0 289.423 3.995 20 10 CHCDRN Cc1cc(C)cc(C[C@@H](C)NC(=O)Nc2ccc(N)cc2)c1 ZINC000841300892 1132344801 /nfs/dbraw/zinc/34/48/01/1132344801.db2.gz VVTMHXPWUZLYOU-CQSZACIVSA-N 0 0 297.402 3.638 20 10 CHCDRN Cc1sccc1/C=C1/SC(=S)N(C2CCC2)C1=O ZINC000841498452 1132369495 /nfs/dbraw/zinc/36/94/95/1132369495.db2.gz ODKLHAKXCHISCV-YRNVUSSQSA-N 0 0 295.454 3.810 20 10 CHCDRN CC(C)COCCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841744112 1132386826 /nfs/dbraw/zinc/38/68/26/1132386826.db2.gz LZPXLXCJZPPKAJ-GFCCVEGCSA-N 0 0 285.815 3.759 20 10 CHCDRN CSC1(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841751015 1132389763 /nfs/dbraw/zinc/38/97/63/1132389763.db2.gz DYQQWNCPBGIMJY-VIFPVBQESA-N 0 0 271.813 3.592 20 10 CHCDRN CCSCCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841750783 1132389902 /nfs/dbraw/zinc/38/99/02/1132389902.db2.gz BEDKSSQVCXHOKY-JTQLQIEISA-N 0 0 273.829 3.839 20 10 CHCDRN COCCC1(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCC1 ZINC000841759864 1132394353 /nfs/dbraw/zinc/39/43/53/1132394353.db2.gz QBFFZLKSRHRYBZ-LBPRGKRZSA-N 0 0 297.826 3.903 20 10 CHCDRN C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1ccc(Cl)cc1[O-] ZINC000841758326 1132395064 /nfs/dbraw/zinc/39/50/64/1132395064.db2.gz LDBHMYCGPAPWDQ-IINYFYTJSA-N 0 0 285.840 3.982 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(Cl)cc1[O-] ZINC000841758078 1132395140 /nfs/dbraw/zinc/39/51/40/1132395140.db2.gz RYVCPIDMEFWMAN-QWRGUYRKSA-N 0 0 285.840 3.839 20 10 CHCDRN CSCC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841761911 1132396048 /nfs/dbraw/zinc/39/60/48/1132396048.db2.gz HRWJXQBKMDLJPX-VHSXEESVSA-N 0 0 273.829 3.838 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001231910662 1132398235 /nfs/dbraw/zinc/39/82/35/1132398235.db2.gz PVKIDHUHTUYLHW-RYUDHWBXSA-N 0 0 265.784 3.668 20 10 CHCDRN Cc1cccc(C[N@@H+](C)Cc2cc(F)c(F)cc2[O-])c1 ZINC001142508971 1132402737 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ZINC001151892070 1132573910 /nfs/dbraw/zinc/57/39/10/1132573910.db2.gz HPWFBVAVOQCZHH-LBPRGKRZSA-N 0 0 295.338 3.558 20 10 CHCDRN CC(C)(C)c1ccc(O)c(CN2CCn3cccc3C2)c1 ZINC001233286411 1132595328 /nfs/dbraw/zinc/59/53/28/1132595328.db2.gz SSXIGXUOHREMEJ-UHFFFAOYSA-N 0 0 284.403 3.507 20 10 CHCDRN C[C@@H]1CCC[N@H+](Cc2c([O-])ccc(F)c2F)C[C@H]1C ZINC001233332630 1132601238 /nfs/dbraw/zinc/60/12/38/1132601238.db2.gz RSAOWUKDJHBAQJ-GHMZBOCLSA-N 0 0 269.335 3.538 20 10 CHCDRN Cc1ccc(CC[N@@H+](C)Cc2c([O-])ccc(F)c2F)cc1 ZINC001233334932 1132604537 /nfs/dbraw/zinc/60/45/37/1132604537.db2.gz ACNJUVAUMPYYMK-UHFFFAOYSA-N 0 0 291.341 3.653 20 10 CHCDRN CC[N@H+](Cc1ccccc1O)Cc1ccc(N)cc1Cl ZINC001233377004 1132611926 /nfs/dbraw/zinc/61/19/26/1132611926.db2.gz KHHJZCHYSVNELF-UHFFFAOYSA-N 0 0 290.794 3.650 20 10 CHCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H](C)c1ccco1 ZINC001233495813 1132629327 /nfs/dbraw/zinc/62/93/27/1132629327.db2.gz LZVURPIAMUAJJH-SNVBAGLBSA-N 0 0 290.315 3.814 20 10 CHCDRN 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285.387 3.621 20 10 CHCDRN CC/C(C)=C/C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000294385435 265015072 /nfs/dbraw/zinc/01/50/72/265015072.db2.gz NUPSVPFVKBRDCP-WYMLVPIESA-N 0 0 286.419 3.600 20 10 CHCDRN COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000090339799 327094329 /nfs/dbraw/zinc/09/43/29/327094329.db2.gz ALMSMCNPZWZULZ-RYUDHWBXSA-N 0 0 289.350 3.952 20 10 CHCDRN [O-]c1c(F)cccc1C[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000378497439 329053037 /nfs/dbraw/zinc/05/30/37/329053037.db2.gz PTHRPUBRCJVQJB-UHFFFAOYSA-N 0 0 299.345 3.526 20 10 CHCDRN CCCCC1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000178455298 329197289 /nfs/dbraw/zinc/19/72/89/329197289.db2.gz DATJEXXQVCDXIL-UHFFFAOYSA-N 0 0 288.435 3.677 20 10 CHCDRN ClC(Cl)(Cl)CCSc1nccs1 ZINC000186044497 329336467 /nfs/dbraw/zinc/33/64/67/329336467.db2.gz CIZXCXAVHBCCSM-UHFFFAOYSA-N 0 0 262.614 3.996 20 10 CHCDRN Cc1nnc(COc2ccc3c(c2)c(C)c(C)n3C)s1 ZINC000421208178 329806061 /nfs/dbraw/zinc/80/60/61/329806061.db2.gz XMXXSIGLNSABPZ-UHFFFAOYSA-N 0 0 287.388 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CHCDRN CC(C)(C(=O)CSc1nccs1)c1ccccc1 ZINC000280005952 518507065 /nfs/dbraw/zinc/50/70/65/518507065.db2.gz SPOFYJBOENRNOW-UHFFFAOYSA-N 0 0 277.414 3.782 20 10 CHCDRN CC(C)CC[C@H](NC(=O)Cc1ccc(N)cc1)C(C)(C)C ZINC000236623071 519691741 /nfs/dbraw/zinc/69/17/41/519691741.db2.gz PTKGHERLYHGQCD-INIZCTEOSA-N 0 0 290.451 3.778 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccccn1 ZINC000282925913 520546617 /nfs/dbraw/zinc/54/66/17/520546617.db2.gz HTUSOKJVDIHEPM-UHFFFAOYSA-N 0 0 299.374 3.621 20 10 CHCDRN CCOc1cc(C)ccc1NCc1cccc(OC)c1O ZINC000037777968 520689336 /nfs/dbraw/zinc/68/93/36/520689336.db2.gz OWEXAYLXEHGPLJ-UHFFFAOYSA-N 0 0 287.359 3.720 20 10 CHCDRN CCCCOc1cccc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000066153896 520905018 /nfs/dbraw/zinc/90/50/18/520905018.db2.gz YFTLSTBEFSZTHR-UHFFFAOYSA-N 0 0 298.386 3.629 20 10 CHCDRN CCOc1ccc(N(CC)Cc2nc(C)c(C)o2)cc1 ZINC000299416049 521028976 /nfs/dbraw/zinc/02/89/76/521028976.db2.gz QLEBBUZTOIZRNT-UHFFFAOYSA-N 0 0 274.364 3.717 20 10 CHCDRN CCCc1cc(C(=O)Nc2ccc(N)cc2)sc1C ZINC000236906189 521364720 /nfs/dbraw/zinc/36/47/20/521364720.db2.gz BHWMVHWUMXSZCD-UHFFFAOYSA-N 0 0 274.389 3.844 20 10 CHCDRN CCOc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000062747657 521373071 /nfs/dbraw/zinc/37/30/71/521373071.db2.gz WBDZKXJLZNOFNZ-GFCCVEGCSA-N 0 0 289.350 3.781 20 10 CHCDRN CCOc1cccc(CNc2ccc(OC)c(F)c2)c1O ZINC000037290407 521378817 /nfs/dbraw/zinc/37/88/17/521378817.db2.gz BZQCRBRBXVLYDP-UHFFFAOYSA-N 0 0 291.322 3.551 20 10 CHCDRN CC[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])OC ZINC000290091900 522200998 /nfs/dbraw/zinc/20/09/98/522200998.db2.gz HKYIOYTXZVSTBP-RKDXNWHRSA-N 0 0 292.206 3.775 20 10 CHCDRN CC[C@H](Nc1c(C)nn(C)c1C)c1ccc(C)cc1O ZINC000280233525 522761995 /nfs/dbraw/zinc/76/19/95/522761995.db2.gz VLKMLGOQHMNXPC-AWEZNQCLSA-N 0 0 273.380 3.614 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H](CC)OC)c1cccc(Cl)c1[O-] ZINC000290311671 522862447 /nfs/dbraw/zinc/86/24/47/522862447.db2.gz ZVRCOQCXKMCXHG-GXFFZTMASA-N 0 0 271.788 3.511 20 10 CHCDRN CC[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccccc1O ZINC000079540949 523038952 /nfs/dbraw/zinc/03/89/52/523038952.db2.gz PPPQGMCBVCHTNP-ZFWWWQNUSA-N 0 0 290.407 3.502 20 10 CHCDRN CCn1cc(NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000035780115 523435738 /nfs/dbraw/zinc/43/57/38/523435738.db2.gz NIMCUIVHEHAORD-UHFFFAOYSA-N 0 0 284.407 3.505 20 10 CHCDRN C[C@H](CCC(C)(C)C)NC(=O)N(C)Cc1ccccc1O ZINC000077625314 524124451 /nfs/dbraw/zinc/12/44/51/524124451.db2.gz VGYNHEMUBVXDCB-CYBMUJFWSA-N 0 0 292.423 3.748 20 10 CHCDRN COc1ccc(N(Cc2cc(C)on2)C(C)C)cc1F ZINC000101567502 524367111 /nfs/dbraw/zinc/36/71/11/524367111.db2.gz NQIQGQUKISOUPH-UHFFFAOYSA-N 0 0 278.327 3.546 20 10 CHCDRN Cc1cccc(CNc2ccccc2N2CCCC2)c1O ZINC000158050981 524442943 /nfs/dbraw/zinc/44/29/43/524442943.db2.gz HEOIKRGHQIACPS-UHFFFAOYSA-N 0 0 282.387 3.913 20 10 CHCDRN C[C@H]1CCc2sc(C(=O)Nc3ccc(N)cc3)cc2C1 ZINC000237718762 524443835 /nfs/dbraw/zinc/44/38/35/524443835.db2.gz QPZYZHYNULTCIO-JTQLQIEISA-N 0 0 286.400 3.707 20 10 CHCDRN COc1ccc(N[C@@H](C)c2cc(F)ccc2O)cc1OC ZINC000094616631 524699732 /nfs/dbraw/zinc/69/97/32/524699732.db2.gz ZAODGNPJYDGKHB-JTQLQIEISA-N 0 0 291.322 3.722 20 10 CHCDRN Cc1cccc([C@@H](C)NC(=O)NCc2ccccc2O)c1C ZINC000265296208 524825118 /nfs/dbraw/zinc/82/51/18/524825118.db2.gz ZGVVCEZCALFWFO-CQSZACIVSA-N 0 0 298.386 3.569 20 10 CHCDRN Cc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062747668 525169209 /nfs/dbraw/zinc/16/92/09/525169209.db2.gz PTRDXHAFBIYCEO-LBPRGKRZSA-N 0 0 259.324 3.691 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccc(F)c(F)c1[O-] ZINC000281085509 525481296 /nfs/dbraw/zinc/48/12/96/525481296.db2.gz JUCYIRBQCCWQKO-RKDXNWHRSA-N 0 0 291.288 3.756 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccc(F)c(F)c1[O-] ZINC000281085504 525498363 /nfs/dbraw/zinc/49/83/63/525498363.db2.gz JUCYIRBQCCWQKO-BDAKNGLRSA-N 0 0 291.288 3.756 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCCc2occc21)c1ccc(F)cc1[O-] ZINC000062745433 525681248 /nfs/dbraw/zinc/68/12/48/525681248.db2.gz WRONREOHNYVWBM-YGRLFVJLSA-N 0 0 275.323 3.853 20 10 CHCDRN C[C@@H](O)CCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000278924391 525758604 /nfs/dbraw/zinc/75/86/04/525758604.db2.gz WWTYFEIBTWCWDG-RKDXNWHRSA-N 0 0 292.206 3.511 20 10 CHCDRN Cc1ccoc1C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000292761258 525797919 /nfs/dbraw/zinc/79/79/19/525797919.db2.gz JOFMYCVDLCGWHR-UHFFFAOYSA-N 0 0 265.740 3.579 20 10 CHCDRN Cc1ccc([C@H](C)Nc2ccc3c(c2)CCO3)c(O)c1 ZINC000037103538 525948608 /nfs/dbraw/zinc/94/86/08/525948608.db2.gz ZAWSQGROAAVBDH-LBPRGKRZSA-N 0 0 269.344 3.809 20 10 CHCDRN C[C@H](Sc1nccs1)C(=O)NCCC1=CCCCC1 ZINC000299047371 526006345 /nfs/dbraw/zinc/00/63/45/526006345.db2.gz OSZINKHZSYATCI-NSHDSACASA-N 0 0 296.461 3.630 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000281072231 526325620 /nfs/dbraw/zinc/32/56/20/526325620.db2.gz IKPFOWGPAPKOKM-SECBINFHSA-N 0 0 275.726 3.571 20 10 CHCDRN [O-]c1c(F)cccc1C[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000280823289 526330651 /nfs/dbraw/zinc/33/06/51/526330651.db2.gz VRFKSIRJNXROHW-SHTZXODSSA-N 0 0 271.335 3.567 20 10 CHCDRN O=C(NCc1ccccc1O)c1cccc(Cl)c1Cl ZINC000133786170 1125494597 /nfs/dbraw/zinc/49/45/97/1125494597.db2.gz MEGMVVIFKZYPPI-UHFFFAOYSA-N 0 0 296.153 3.629 20 10 CHCDRN C[C@H]([NH2+][C@@H](CCC(=O)[O-])c1ccccc1)c1ccccc1O ZINC001593204219 994198102 /nfs/dbraw/zinc/19/81/02/994198102.db2.gz OIYONNGFUCSUPL-BBRMVZONSA-N 0 0 299.370 3.649 20 10 CHCDRN CCC[C@H](CN(C)c1ccc(OC)c(Cl)c1)OC ZINC001180760015 1122012181 /nfs/dbraw/zinc/01/21/81/1122012181.db2.gz WDJKFGYLWQQOFU-GFCCVEGCSA-N 0 0 271.788 3.600 20 10 CHCDRN C[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])c1ccsc1 ZINC001181196488 1122040958 /nfs/dbraw/zinc/04/09/58/1122040958.db2.gz POHHCWLFAHIVPW-MRVPVSSYSA-N 0 0 269.316 3.583 20 10 CHCDRN CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC001184265012 1122266085 /nfs/dbraw/zinc/26/60/85/1122266085.db2.gz NWFSFIIGWAQVCJ-GXTWGEPZSA-N 0 0 267.800 3.960 20 10 CHCDRN CC(C)[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCS1 ZINC000775735788 1122929930 /nfs/dbraw/zinc/92/99/30/1122929930.db2.gz WUGKHLSXVTXIIA-ZDUSSCGKSA-N 0 0 285.840 3.619 20 10 CHCDRN FC1(F)CC(CSc2ncc(Cl)s2)C1 ZINC000850002266 1123236710 /nfs/dbraw/zinc/23/67/10/1123236710.db2.gz YURIUJBISFBQTP-UHFFFAOYSA-N 0 0 255.742 3.934 20 10 CHCDRN CCCC(C)(C)C(=O)NCCCSc1nccs1 ZINC000845506508 1131639050 /nfs/dbraw/zinc/63/90/50/1131639050.db2.gz NRCVKVFUZMYQFX-UHFFFAOYSA-N 0 0 286.466 3.568 20 10 CHCDRN [O-]c1cc(F)cc(F)c1C[NH+]1CCCCCCCC1 ZINC001140585321 1131812022 /nfs/dbraw/zinc/81/20/22/1131812022.db2.gz FMTGERMBOCRIMQ-UHFFFAOYSA-N 0 0 269.335 3.827 20 10 CHCDRN CC1(C)CCC[N@@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415687 1132619031 /nfs/dbraw/zinc/61/90/31/1132619031.db2.gz FRZVUCXCEWKHHS-UHFFFAOYSA-N 0 0 273.298 3.785 20 10 CHCDRN CN(C(=O)CC(C)(C)CC(F)(F)F)c1ccc(N)cc1 ZINC000884441221 1125565373 /nfs/dbraw/zinc/56/53/73/1125565373.db2.gz CKLGHLGGOXWENP-UHFFFAOYSA-N 0 0 288.313 3.600 20 10 CHCDRN Cc1cc(C(=O)N2[C@@H](C)CC[C@@H]2C)c(C)n1-c1ccccn1 ZINC000135246249 1125581164 /nfs/dbraw/zinc/58/11/64/1125581164.db2.gz RAZXWMYTSAYYSG-STQMWFEESA-N 0 0 297.402 3.502 20 10 CHCDRN Cc1cc(C(=O)N2[C@H](C)CC[C@H]2C)c(C)n1-c1ccccn1 ZINC000135246266 1125581668 /nfs/dbraw/zinc/58/16/68/1125581668.db2.gz RAZXWMYTSAYYSG-CHWSQXEVSA-N 0 0 297.402 3.502 20 10 CHCDRN CCOCC(C)(C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841755531 1125592699 /nfs/dbraw/zinc/59/26/99/1125592699.db2.gz INMDCRFCVQMYLB-LLVKDONJSA-N 0 0 285.815 3.759 20 10 CHCDRN CCN(CC)c1ccc(CN[C@@H](C)c2ncco2)cc1F ZINC000886273886 1125665354 /nfs/dbraw/zinc/66/53/54/1125665354.db2.gz INFFUYPPFVQMKE-LBPRGKRZSA-N 0 0 291.370 3.511 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCCc2occc21)c1c([O-])cccc1F ZINC000886501303 1125681213 /nfs/dbraw/zinc/68/12/13/1125681213.db2.gz FFDGNWLPNCCGPU-GXFFZTMASA-N 0 0 275.323 3.853 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCc2c1cccc2O)c1c([O-])cccc1F ZINC000886525022 1125684034 /nfs/dbraw/zinc/68/40/34/1125684034.db2.gz VWGFOOSEMSDALR-QMTHXVAHSA-N 0 0 287.334 3.575 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCc2c1cccc2O)c1c([O-])cccc1F ZINC000886525020 1125684215 /nfs/dbraw/zinc/68/42/15/1125684215.db2.gz VWGFOOSEMSDALR-HZMBPMFUSA-N 0 0 287.334 3.575 20 10 CHCDRN Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)CO2 ZINC000886551849 1125689835 /nfs/dbraw/zinc/68/98/35/1125689835.db2.gz PNKAGUCEVNUQQB-BXUZGUMPSA-N 0 0 287.334 3.624 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1c([O-])cccc1F ZINC000886551465 1125689942 /nfs/dbraw/zinc/68/99/42/1125689942.db2.gz IKGHQKDAMHRTTG-OLZOCXBDSA-N 0 0 293.382 3.674 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1c(C)noc1C ZINC000886556979 1125690322 /nfs/dbraw/zinc/69/03/22/1125690322.db2.gz OFZQENJGUIMNME-NOZJJQNGSA-N 0 0 292.354 3.938 20 10 CHCDRN Cc1csc([C@H](C)C[NH2+][C@H](C)c2c([O-])cccc2F)n1 ZINC000886587924 1125693769 /nfs/dbraw/zinc/69/37/69/1125693769.db2.gz IITCVSVEEOLSSR-MWLCHTKSSA-N 0 0 294.395 3.751 20 10 CHCDRN CC[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886589996 1125694361 /nfs/dbraw/zinc/69/43/61/1125694361.db2.gz LIYHFOYGFAFUTQ-DTWKUNHWSA-N 0 0 279.277 3.913 20 10 CHCDRN C[C@H]([NH2+]CCC[C@H]1CCCCO1)c1c([O-])cccc1F ZINC000886590096 1125695296 /nfs/dbraw/zinc/69/52/96/1125695296.db2.gz NTPONJUCHPPKBD-QWHCGFSZSA-N 0 0 281.371 3.531 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccncc1 ZINC000282963929 1125696411 /nfs/dbraw/zinc/69/64/11/1125696411.db2.gz KRRCOWHWBRIEEH-UHFFFAOYSA-N 0 0 299.374 3.621 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)[C@@H]1CCCCO1 ZINC000886634869 1125700667 /nfs/dbraw/zinc/70/06/67/1125700667.db2.gz OSLDHLPNNGFJNI-WHOFXGATSA-N 0 0 281.371 3.530 20 10 CHCDRN C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1c([O-])cccc1F ZINC000886640381 1125701219 /nfs/dbraw/zinc/70/12/19/1125701219.db2.gz XXOMTEZLKCGDHZ-DTWKUNHWSA-N 0 0 292.181 3.766 20 10 CHCDRN CCCC[C@H](CC)C(=O)NCc1ccc(N(C)C)cc1 ZINC000886779107 1125716684 /nfs/dbraw/zinc/71/66/84/1125716684.db2.gz DLGYQNMPGXUSDC-HNNXBMFYSA-N 0 0 276.424 3.585 20 10 CHCDRN CCC(C)(C)CCN(C)c1ccc(OC)c(OC)c1 ZINC000743841504 1129537290 /nfs/dbraw/zinc/53/72/90/1129537290.db2.gz YRKYCZGBFVOSDR-UHFFFAOYSA-N 0 0 265.397 3.966 20 10 CHCDRN CCCCCC[C@H](C)NC(=O)NCc1ccccc1O ZINC000748463156 1130234867 /nfs/dbraw/zinc/23/48/67/1130234867.db2.gz LEIUTGZHLGTQQJ-ZDUSSCGKSA-N 0 0 278.396 3.550 20 10 CHCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(Cl)o1 ZINC000790946716 1130339374 /nfs/dbraw/zinc/33/93/74/1130339374.db2.gz HHFTWMQWPSRMCO-UHFFFAOYSA-N 0 0 290.121 3.721 20 10 CHCDRN CCOc1cccc(CNc2ccc(F)c(OC)c2)c1O ZINC000160020612 1126762981 /nfs/dbraw/zinc/76/29/81/1126762981.db2.gz OQAFFYALKOQZGH-UHFFFAOYSA-N 0 0 291.322 3.551 20 10 CHCDRN C[C@@H](c1ncc(C(C)(C)C)o1)N(C)Cc1ccccc1O ZINC000177676193 1126803655 /nfs/dbraw/zinc/80/36/55/1126803655.db2.gz PHXHHXZLOBAPGV-LBPRGKRZSA-N 0 0 288.391 3.871 20 10 CHCDRN Cc1ccc(N[C@H](C)c2ccccc2O)cc1C(=O)N(C)C ZINC000183702822 1126891168 /nfs/dbraw/zinc/89/11/68/1126891168.db2.gz OMZMVJSAYNYNPG-CYBMUJFWSA-N 0 0 298.386 3.576 20 10 CHCDRN COCCC1(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CCC1 ZINC000187759380 1126914369 /nfs/dbraw/zinc/91/43/69/1126914369.db2.gz UOTNMUXDPTVTQQ-LLVKDONJSA-N 0 0 299.361 3.528 20 10 CHCDRN CSCC[C@@H](C)[N@H+](C)Cc1c(O)cccc1Cl ZINC000129019149 1126917135 /nfs/dbraw/zinc/91/71/35/1126917135.db2.gz NDCPGIXPRUFLKG-SNVBAGLBSA-N 0 0 273.829 3.619 20 10 CHCDRN CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000777441043 1126922233 /nfs/dbraw/zinc/92/22/33/1126922233.db2.gz VLENDLPIWHUSQC-UONOGXRCSA-N 0 0 297.826 3.729 20 10 CHCDRN CC(C)c1nn(C)cc1-c1ccc2ccn(C)c2c1 ZINC000906161213 1126936615 /nfs/dbraw/zinc/93/66/15/1126936615.db2.gz CZIDHVQGEGDILN-UHFFFAOYSA-N 0 0 253.349 3.702 20 10 CHCDRN CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192841678 1126964684 /nfs/dbraw/zinc/96/46/84/1126964684.db2.gz GDNKLPMUSLGTEM-ISVAXAHUSA-N 0 0 292.206 3.511 20 10 CHCDRN CC[C@@H]([NH2+]CCOCCC(C)C)c1ccc(F)cc1[O-] ZINC000796723868 1130926219 /nfs/dbraw/zinc/92/62/19/1130926219.db2.gz PPDXYFYAHOHPAA-OAHLLOKOSA-N 0 0 283.387 3.635 20 10 CHCDRN CC[C@@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000268849684 1127025974 /nfs/dbraw/zinc/02/59/74/1127025974.db2.gz BHVFMBYLWQAFMS-RTBURBONSA-N 0 0 298.430 3.527 20 10 CHCDRN Oc1cccc(Cl)c1CNc1cccc(Cl)n1 ZINC000149820951 1127029257 /nfs/dbraw/zinc/02/92/57/1127029257.db2.gz BMXLNKZUZHCIQU-UHFFFAOYSA-N 0 0 269.131 3.706 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H]1CCCCS1)c1ccc(F)cc1[O-] ZINC000796932815 1130946991 /nfs/dbraw/zinc/94/69/91/1130946991.db2.gz LUZKSJONJACTGS-TZMCWYRMSA-N 0 0 283.412 3.858 20 10 CHCDRN CC[C@@H](c1ccccc1)N(CC)C(=O)Cc1ccc(N)cc1 ZINC000269226415 1127036266 /nfs/dbraw/zinc/03/62/66/1127036266.db2.gz MHUILZGUHUWBPT-SFHVURJKSA-N 0 0 296.414 3.811 20 10 CHCDRN C[C@H](CCC(=O)NCc1ccccc1O)c1ccccc1 ZINC000269718581 1127045502 /nfs/dbraw/zinc/04/55/02/1127045502.db2.gz RBERKZXYMSBEML-CQSZACIVSA-N 0 0 283.371 3.592 20 10 CHCDRN CCCN(Cc1ncc(C2CC2)o1)Cc1ccccc1O ZINC000270636958 1127059905 /nfs/dbraw/zinc/05/99/05/1127059905.db2.gz RBHBOEQPJFYTOI-UHFFFAOYSA-N 0 0 286.375 3.670 20 10 CHCDRN CCc1ccc(CN2CCC[C@@H](F)C(F)(F)C2)c(O)c1 ZINC001236782925 1131006779 /nfs/dbraw/zinc/00/67/79/1131006779.db2.gz HCBLAWIDNGFFKU-CQSZACIVSA-N 0 0 287.325 3.524 20 10 CHCDRN CC(C)(C)Cc1ncc(C(=O)Nc2ccc(N)cc2)s1 ZINC000911661010 1127085456 /nfs/dbraw/zinc/08/54/56/1127085456.db2.gz RBBFCWSKUPRSFF-UHFFFAOYSA-N 0 0 289.404 3.566 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC000843820283 1127108308 /nfs/dbraw/zinc/10/83/08/1127108308.db2.gz QIVJOFIGGMJHNS-HOTGVXAUSA-N 0 0 287.403 3.567 20 10 CHCDRN C[C@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)[C@@H](C)C1 ZINC001237123000 1131054204 /nfs/dbraw/zinc/05/42/04/1131054204.db2.gz AUFVOHXOBXLEPY-UWVGGRQHSA-N 0 0 271.763 3.805 20 10 CHCDRN CCC1CCC(CNC(=O)Nc2ccc(N)cc2)CC1 ZINC000045011772 1127167172 /nfs/dbraw/zinc/16/71/72/1127167172.db2.gz PMIMTUMXNPLLGF-UHFFFAOYSA-N 0 0 275.396 3.607 20 10 CHCDRN Cc1cccc(O)c1CN(C)[C@H](C1CCC1)C(F)(F)F ZINC001237491128 1131104940 /nfs/dbraw/zinc/10/49/40/1131104940.db2.gz GVJXZEDBNOOBQP-CQSZACIVSA-N 0 0 287.325 3.863 20 10 CHCDRN CSC1CC[NH+](Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237937732 1131153900 /nfs/dbraw/zinc/15/39/00/1131153900.db2.gz UJLPMNBMMFQEBT-UHFFFAOYSA-N 0 0 289.803 3.512 20 10 CHCDRN CC[C@H]([NH2+]CCc1csc(C)n1)c1ccc(F)cc1[O-] ZINC000285587865 1127238247 /nfs/dbraw/zinc/23/82/47/1127238247.db2.gz JADCSDDKEBNCOT-AWEZNQCLSA-N 0 0 294.395 3.580 20 10 CHCDRN Oc1cc(Cl)c(F)cc1CN1Cc2cccc(F)c2C1 ZINC001237935182 1131153917 /nfs/dbraw/zinc/15/39/17/1131153917.db2.gz AVVJLJSJQAPDFH-UHFFFAOYSA-N 0 0 295.716 3.840 20 10 CHCDRN CC[C@@H]([NH2+]CCc1ccccc1O)c1ccc(F)cc1[O-] ZINC000285958249 1127248865 /nfs/dbraw/zinc/24/88/65/1127248865.db2.gz GMKZMNZIWXLXON-OAHLLOKOSA-N 0 0 289.350 3.520 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H]1CCCOC1)c1cccc(Cl)c1[O-] ZINC000287273707 1127298483 /nfs/dbraw/zinc/29/84/83/1127298483.db2.gz BCHPUROLZHMTPU-BXUZGUMPSA-N 0 0 283.799 3.513 20 10 CHCDRN Cc1ccc(O)c([C@@H](C)N[C@@H](C2CC2)C(F)(F)F)c1 ZINC000287260339 1127298726 /nfs/dbraw/zinc/29/87/26/1127298726.db2.gz ILWMZQJLXICQSW-RNCFNFMXSA-N 0 0 273.298 3.692 20 10 CHCDRN CC[C@@H]([NH2+]CC(C)(C)CCCO)c1cccc(Cl)c1[O-] ZINC000287684154 1127312039 /nfs/dbraw/zinc/31/20/39/1127312039.db2.gz MUYQYOLDDFCALK-CQSZACIVSA-N 0 0 299.842 3.885 20 10 CHCDRN CC[C@@H]([NH2+][C@@H]1CCSC1)c1cccc(Cl)c1[O-] ZINC000287776922 1127313745 /nfs/dbraw/zinc/31/37/45/1127313745.db2.gz RXBQKKCQZLHQNI-BXKDBHETSA-N 0 0 271.813 3.592 20 10 CHCDRN COc1ccc(OC)c(NCc2cc(C)c(C)cc2O)c1 ZINC000157796450 1127382453 /nfs/dbraw/zinc/38/24/53/1127382453.db2.gz QIKCMGLONOLMCE-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN Oc1ccc(F)cc1CNc1ccc(-c2cnco2)cc1 ZINC000226561203 1127410870 /nfs/dbraw/zinc/41/08/70/1127410870.db2.gz PGHBIVVVJNMMQF-UHFFFAOYSA-N 0 0 284.290 3.798 20 10 CHCDRN COc1c(C)ccc(NCc2cc(F)ccc2O)c1C ZINC000226580404 1127411709 /nfs/dbraw/zinc/41/17/09/1127411709.db2.gz DXFHWUDBGHKBAY-UHFFFAOYSA-N 0 0 275.323 3.769 20 10 CHCDRN CC(C)=CCC[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001308773117 1127465042 /nfs/dbraw/zinc/46/50/42/1127465042.db2.gz AAYOYTPRUYJYSA-LLVKDONJSA-N 0 0 269.335 3.895 20 10 CHCDRN CCN(CC)c1ccc(CNc2cncc(C)c2)cc1 ZINC000227603948 1127483421 /nfs/dbraw/zinc/48/34/21/1127483421.db2.gz LFVBWYPXYBWBGP-UHFFFAOYSA-N 0 0 269.392 3.848 20 10 CHCDRN CCCc1nc(C)c(C[NH2+][C@H](C)c2ccc(F)cc2[O-])o1 ZINC000293646426 1127510546 /nfs/dbraw/zinc/51/05/46/1127510546.db2.gz LAAVSHYBNSDEEL-SNVBAGLBSA-N 0 0 292.354 3.631 20 10 CHCDRN COc1cc(NCc2cccc(C)c2O)cc(OC)c1C ZINC000293833026 1127523637 /nfs/dbraw/zinc/52/36/37/1127523637.db2.gz GRBCFCUUOQSLFZ-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN Oc1ccccc1CNc1nnc(-c2ccccc2)s1 ZINC000761210547 1127523658 /nfs/dbraw/zinc/52/36/58/1127523658.db2.gz MTBXWECELINATM-UHFFFAOYSA-N 0 0 283.356 3.523 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(C)c(F)c2)cc1OC ZINC000761222908 1127547128 /nfs/dbraw/zinc/54/71/28/1127547128.db2.gz YAZRPCXAPCEOPT-UHFFFAOYSA-N 0 0 289.350 3.788 20 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OOFGSEOSSDYEMG-LLVKDONJSA-N 0 0 277.314 3.564 20 10 CHCDRN C[C@@H]([NH2+]Cc1ccccc1F)c1ccc(F)cc1[O-] ZINC000062744901 1127772670 /nfs/dbraw/zinc/77/26/70/1127772670.db2.gz ZIJYTCJUHNBLMX-SNVBAGLBSA-N 0 0 263.287 3.521 20 10 CHCDRN C[C@H]([NH2+]Cc1ccccc1F)c1ccc(F)cc1[O-] ZINC000062744900 1127772486 /nfs/dbraw/zinc/77/24/86/1127772486.db2.gz ZIJYTCJUHNBLMX-JTQLQIEISA-N 0 0 263.287 3.521 20 10 CHCDRN C[C@@H]([NH2+]CCCOC1CCCCC1)c1ccc(F)cc1[O-] ZINC000062745329 1127773074 /nfs/dbraw/zinc/77/30/74/1127773074.db2.gz WXQLZOTTXIXDNR-CYBMUJFWSA-N 0 0 295.398 3.921 20 10 CHCDRN COc1cc(F)ccc1N[C@@H](C)c1ccc(F)cc1O ZINC000062748271 1127774014 /nfs/dbraw/zinc/77/40/14/1127774014.db2.gz VKUDSDWHVNCTMB-VIFPVBQESA-N 0 0 279.286 3.852 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000062748440 1127774133 /nfs/dbraw/zinc/77/41/33/1127774133.db2.gz DVPLQYDGDYCSFP-WBMJQRKESA-N 0 0 285.362 3.739 20 10 CHCDRN C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2[O-])CCC[C@@H]1C ZINC001233074689 1127923517 /nfs/dbraw/zinc/92/35/17/1127923517.db2.gz SSRBBMRRWIYDBX-QWRGUYRKSA-N 0 0 269.335 3.538 20 10 CHCDRN CCC[C@H]1CCCC[N@@H+]1Cc1c([O-])ccc(F)c1F ZINC001233334875 1127953581 /nfs/dbraw/zinc/95/35/81/1127953581.db2.gz XKMDKISJGPHUFX-NSHDSACASA-N 0 0 269.335 3.825 20 10 CHCDRN CCN1CCc2cc(O[C@H]3CCCC[C@H]3F)ccc21 ZINC001233601643 1127997671 /nfs/dbraw/zinc/99/76/71/1127997671.db2.gz LTIYXGXOUZQWRU-ZBFHGGJFSA-N 0 0 263.356 3.729 20 10 CHCDRN CCC(CC)[C@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000761454495 1128029818 /nfs/dbraw/zinc/02/98/18/1128029818.db2.gz HWAICXKSVYEFHB-AWEZNQCLSA-N 0 0 290.451 3.750 20 10 CHCDRN Cc1cc(O)c(CNc2cnc(Cl)c(C)c2)cc1C ZINC000777518720 1128099361 /nfs/dbraw/zinc/09/93/61/1128099361.db2.gz ABZXBYJCRIIVHT-UHFFFAOYSA-N 0 0 276.767 3.978 20 10 CHCDRN CC(C)c1cc(NCc2c(O)cccc2Cl)no1 ZINC000777518783 1128099528 /nfs/dbraw/zinc/09/95/28/1128099528.db2.gz BYYIOGWVHJCQRM-UHFFFAOYSA-N 0 0 266.728 3.769 20 10 CHCDRN CCC(CC)(CC)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000761543421 1128134214 /nfs/dbraw/zinc/13/42/14/1128134214.db2.gz VRKUPWUWDOTGAX-GFCCVEGCSA-N 0 0 293.407 3.794 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)c1c([O-])cccc1F ZINC000927100880 1128217214 /nfs/dbraw/zinc/21/72/14/1128217214.db2.gz VEYCDXOPPPEORI-NEPJUHHUSA-N 0 0 295.398 3.776 20 10 CHCDRN COc1ccc(N(C)CCCC(C)(F)F)cc1OC ZINC000929348039 1128270821 /nfs/dbraw/zinc/27/08/21/1128270821.db2.gz NXTUDMFZAFOSFM-UHFFFAOYSA-N 0 0 273.323 3.575 20 10 CHCDRN CCCCCCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000915081100 1128280193 /nfs/dbraw/zinc/28/01/93/1128280193.db2.gz LFGOBTLLIHJHAY-UHFFFAOYSA-N 0 0 288.435 3.873 20 10 CHCDRN C[C@@H]1C[C@H]1c1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000762256068 1128287499 /nfs/dbraw/zinc/28/74/99/1128287499.db2.gz UBLACLOERUABAX-BXUZGUMPSA-N 0 0 265.316 3.651 20 10 CHCDRN CNc1ccccc1N[C@H](c1ccccn1)C(F)(F)F ZINC001168491213 1128304897 /nfs/dbraw/zinc/30/48/97/1128304897.db2.gz NGCHIBZVWQPQDZ-CYBMUJFWSA-N 0 0 281.281 3.839 20 10 CHCDRN COc1ccc(N(CCC(C)C)Cc2nncs2)cc1 ZINC000930290244 1128312525 /nfs/dbraw/zinc/31/25/25/1128312525.db2.gz ZGGWRGPMBCDZTK-UHFFFAOYSA-N 0 0 291.420 3.599 20 10 CHCDRN C[C@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)C=CCC1 ZINC000930934632 1128341423 /nfs/dbraw/zinc/34/14/23/1128341423.db2.gz MIBXXFYPGLPAPJ-IBGZPJMESA-N 0 0 298.430 3.649 20 10 CHCDRN CSCCOC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000916603329 1128428349 /nfs/dbraw/zinc/42/83/49/1128428349.db2.gz VEOYXIPTWRWOBB-UHFFFAOYSA-N 0 0 289.400 3.614 20 10 CHCDRN CCc1cccc(CNc2ccc(F)c(OC)c2)c1O ZINC000691505220 1128436433 /nfs/dbraw/zinc/43/64/33/1128436433.db2.gz KPSJVQPNXVFRHC-UHFFFAOYSA-N 0 0 275.323 3.714 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(Cl)cn2)cc1F ZINC000778218595 1128450268 /nfs/dbraw/zinc/45/02/68/1128450268.db2.gz VQPUFZNSSDOMSQ-UHFFFAOYSA-N 0 0 280.730 3.519 20 10 CHCDRN COc1cc(C)c(NCc2cc(C)ccc2O)cc1F ZINC000187489482 1128459667 /nfs/dbraw/zinc/45/96/67/1128459667.db2.gz PQQRJKBMOIIZCW-UHFFFAOYSA-N 0 0 275.323 3.769 20 10 CHCDRN C[C@@H]1CCN(C(=O)/C=C/c2cccnc2)c2ccccc21 ZINC000041968455 1128560296 /nfs/dbraw/zinc/56/02/96/1128560296.db2.gz FQUIXVUPRKABQB-MYSGNRETSA-N 0 0 278.355 3.635 20 10 CHCDRN C[C@@H](Sc1nccs1)c1nc(C(C)(C)C)no1 ZINC000919676952 1128621628 /nfs/dbraw/zinc/62/16/28/1128621628.db2.gz COAUMVWPDWTHQI-SSDOTTSWSA-N 0 0 269.395 3.677 20 10 CHCDRN CC[C@@H](C)c1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000778930630 1128669506 /nfs/dbraw/zinc/66/95/06/1128669506.db2.gz WFSVUVKGIAUKRC-GFCCVEGCSA-N 0 0 299.370 3.541 20 10 CHCDRN COc1cccc2c1N(Cc1ccc(N(C)C)cc1)CCC2 ZINC000920258831 1128674722 /nfs/dbraw/zinc/67/47/22/1128674722.db2.gz XXRURLWPTXMCAV-UHFFFAOYSA-N 0 0 296.414 3.714 20 10 CHCDRN C[C@@H]1CCC[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000159175204 1128675733 /nfs/dbraw/zinc/67/57/33/1128675733.db2.gz SHEKWDYKVYYYOQ-GDBMZVCRSA-N 0 0 288.435 3.537 20 10 CHCDRN Oc1ccc(F)cc1CN(Cc1ccccc1)CC(F)F ZINC000779022883 1128685963 /nfs/dbraw/zinc/68/59/63/1128685963.db2.gz JYKAMPRZNZISDP-UHFFFAOYSA-N 0 0 295.304 3.799 20 10 CHCDRN COc1c(Cl)cccc1NCc1cc(F)ccc1O ZINC000779036741 1128695497 /nfs/dbraw/zinc/69/54/97/1128695497.db2.gz ACICCIYSBGHMTH-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN Oc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000779080897 1128723484 /nfs/dbraw/zinc/72/34/84/1128723484.db2.gz FINZPCFCNDPXLJ-LALPHHSUSA-N 0 0 263.356 3.590 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CC12CCCC2 ZINC000763458460 1128732353 /nfs/dbraw/zinc/73/23/53/1128732353.db2.gz QBWOFPMJBWXVCG-LBPRGKRZSA-N 0 0 269.747 3.607 20 10 CHCDRN CCCCC[C@@H](C)CC(=O)N(C)Cc1ccccc1O ZINC000175503556 1128732909 /nfs/dbraw/zinc/73/29/09/1128732909.db2.gz NKDYRRZNUIWCIG-CQSZACIVSA-N 0 0 277.408 3.957 20 10 CHCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C(C)=C/C(C)(C)C)c1 ZINC000184979121 1117747687 /nfs/dbraw/zinc/74/76/87/1117747687.db2.gz WBGJOANYOVGICU-HCRIHEDKSA-N 0 0 291.391 3.570 20 10 CHCDRN CCc1ccc(NC(=O)[C@@H](C)Sc2nccs2)cc1 ZINC000048874206 1128733531 /nfs/dbraw/zinc/73/35/31/1128733531.db2.gz QOAMPISKUIEKIS-SNVBAGLBSA-N 0 0 292.429 3.825 20 10 CHCDRN Cc1ccc(NCc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000120091924 1117760386 /nfs/dbraw/zinc/76/03/86/1117760386.db2.gz QRRQIWAJQXJZPM-UHFFFAOYSA-N 0 0 296.414 3.752 20 10 CHCDRN C[C@H]([NH2+]CCCNc1ccccc1)c1ccc(F)cc1[O-] ZINC000185489392 1117827819 /nfs/dbraw/zinc/82/78/19/1117827819.db2.gz GDAAGMDVZCCAAP-ZDUSSCGKSA-N 0 0 288.366 3.684 20 10 CHCDRN CCCCCc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000049079167 1128742501 /nfs/dbraw/zinc/74/25/01/1128742501.db2.gz BVHDFMSTNIDBRV-UHFFFAOYSA-N 0 0 263.362 3.954 20 10 CHCDRN CCC[C@H](C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000471217962 1117990904 /nfs/dbraw/zinc/99/09/04/1117990904.db2.gz GREYOYYHHDUIBR-LBPRGKRZSA-N 0 0 272.392 3.539 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@H]1C=CCCC1 ZINC000471225576 1117998398 /nfs/dbraw/zinc/99/83/98/1117998398.db2.gz DCVHHNCVEMVCEM-HNNXBMFYSA-N 0 0 296.414 3.849 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCCC1(C)C ZINC000471232928 1118007233 /nfs/dbraw/zinc/00/72/33/1118007233.db2.gz FOOYXFUEMDJUIN-OAHLLOKOSA-N 0 0 298.430 3.929 20 10 CHCDRN CC[C@H](C)[C@H](C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000471242418 1118021001 /nfs/dbraw/zinc/02/10/01/1118021001.db2.gz IRHDHSOYTZKPGT-STQMWFEESA-N 0 0 286.419 3.785 20 10 CHCDRN CCOc1ccc(NCc2cc(F)ccc2O)cc1 ZINC000083445790 1118025660 /nfs/dbraw/zinc/02/56/60/1118025660.db2.gz XFFBOFZCFLEPRT-UHFFFAOYSA-N 0 0 261.296 3.542 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)NC1CCCC1 ZINC000283122861 1118070086 /nfs/dbraw/zinc/07/00/86/1118070086.db2.gz ZEEVJBWVUHUAMJ-UHFFFAOYSA-N 0 0 290.407 3.647 20 10 CHCDRN O=C(CC1=CCCCC1)NCc1cccc(Cl)c1O ZINC000890760821 1118076437 /nfs/dbraw/zinc/07/64/37/1118076437.db2.gz ZWHBYIKZFHPWIS-UHFFFAOYSA-N 0 0 279.767 3.552 20 10 CHCDRN Oc1ccc(F)cc1CN1CCc2cccc(Cl)c2C1 ZINC001140058914 1118079588 /nfs/dbraw/zinc/07/95/88/1118079588.db2.gz OJOQMEGIECEIGO-UHFFFAOYSA-N 0 0 291.753 3.743 20 10 CHCDRN CCCCC1(C(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890763476 1118080743 /nfs/dbraw/zinc/08/07/43/1118080743.db2.gz WWDLAWTWIBEYSU-UHFFFAOYSA-N 0 0 281.783 3.632 20 10 CHCDRN CC(C)(C)c1ccc(C(=O)NCc2ccccc2O)s1 ZINC000764323119 1118084781 /nfs/dbraw/zinc/08/47/81/1118084781.db2.gz ZCPCFJGBBANDNZ-UHFFFAOYSA-N 0 0 289.400 3.681 20 10 CHCDRN CCCCOc1cc(Nc2ccc3c(c2)OCCN3)ccn1 ZINC001209713876 1118088128 /nfs/dbraw/zinc/08/81/28/1118088128.db2.gz KQQWVSSZLSFMEJ-UHFFFAOYSA-N 0 0 299.374 3.808 20 10 CHCDRN CCc1ccccc1NC(=S)NNc1ccc(F)cc1 ZINC000007351234 1118109347 /nfs/dbraw/zinc/10/93/47/1118109347.db2.gz CTQFGRUYSNRYFO-UHFFFAOYSA-N 0 0 289.379 3.702 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)CC(C)C ZINC000765418797 1118151471 /nfs/dbraw/zinc/15/14/71/1118151471.db2.gz ZEQULGBCEVOFHP-HNNXBMFYSA-N 0 0 290.451 3.783 20 10 CHCDRN Cc1ccc(-n2cccn2)cc1NCc1cc(F)ccc1O ZINC000188093506 1128760178 /nfs/dbraw/zinc/76/01/78/1128760178.db2.gz PGKTYTAUNZYCBA-UHFFFAOYSA-N 0 0 297.333 3.638 20 10 CHCDRN CC(C)C[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000765590920 1118177907 /nfs/dbraw/zinc/17/79/07/1118177907.db2.gz YAQWMWBRTNZZEI-CYBMUJFWSA-N 0 0 289.419 3.569 20 10 CHCDRN 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292.604 3.650 20 10 CHCDRN CC(C)Cn1cc(NCc2c(O)cccc2Cl)cn1 ZINC000122269272 1119277764 /nfs/dbraw/zinc/27/77/64/1119277764.db2.gz BJWCLGPIJPQJEL-UHFFFAOYSA-N 0 0 279.771 3.510 20 10 CHCDRN CCCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000052396832 1119368099 /nfs/dbraw/zinc/36/80/99/1119368099.db2.gz HDNIBDYDHKXCKP-UHFFFAOYSA-N 0 0 288.435 3.826 20 10 CHCDRN Cc1cc(Sc2nccs2)ccc1[N+](=O)[O-] ZINC000200045497 1119592957 /nfs/dbraw/zinc/59/29/57/1119592957.db2.gz CGYCWGRLVBZAFZ-UHFFFAOYSA-N 0 0 252.320 3.511 20 10 CHCDRN CCC[C@H](Sc1ncc(Cl)s1)C(=O)OCC ZINC000850000513 1119602648 /nfs/dbraw/zinc/60/26/48/1119602648.db2.gz XTGKIOFRDPNHSU-ZETCQYMHSA-N 0 0 279.814 3.620 20 10 CHCDRN CC(C)c1ncc(C[N@H+](C)Cc2ccccc2O)s1 ZINC000091956519 1119734730 /nfs/dbraw/zinc/73/47/30/1119734730.db2.gz GBUDGBXGDQGVTI-UHFFFAOYSA-N 0 0 276.405 3.604 20 10 CHCDRN CC1(C)CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000310330929 1119741882 /nfs/dbraw/zinc/74/18/82/1119741882.db2.gz AFARJHKZIROYJA-LLVKDONJSA-N 0 0 274.191 3.977 20 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CN(Cc1ccc(Cl)nc1)Cc1c(O)cccc1Cl ZINC000125743118 1120908811 /nfs/dbraw/zinc/90/88/11/1120908811.db2.gz JPGJRZJWPASSRO-UHFFFAOYSA-N 0 0 297.185 3.726 20 10 CHCDRN C[N@H+](CCC1CC1)Cc1c(O)ccc2ccccc21 ZINC000162899121 1120924936 /nfs/dbraw/zinc/92/49/36/1120924936.db2.gz ZVYJMBAREUWMFT-UHFFFAOYSA-N 0 0 255.361 3.777 20 10 CHCDRN C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000162911983 1120947531 /nfs/dbraw/zinc/94/75/31/1120947531.db2.gz FFLOXTHCYPDINO-RKDXNWHRSA-N 0 0 274.191 3.929 20 10 CHCDRN Cc1ccc(/C=C\C(=O)N(C)c2cccc(C)c2C)cn1 ZINC000779471713 1128955053 /nfs/dbraw/zinc/95/50/53/1128955053.db2.gz KQQNYGDENGFHNI-KHPPLWFESA-N 0 0 280.371 3.683 20 10 CHCDRN Cc1cc(CN[C@H](C)c2ncc[nH]2)c(C)n1-c1ccccc1 ZINC000317427161 1121010480 /nfs/dbraw/zinc/01/04/80/1121010480.db2.gz JVLHYMFDAGPCAB-CQSZACIVSA-N 0 0 294.402 3.668 20 10 CHCDRN O=C(CC1CCCCC1)NCCCSc1nccs1 ZINC000078713544 1128957937 /nfs/dbraw/zinc/95/79/37/1128957937.db2.gz DIUBWGCYFZVLFA-UHFFFAOYSA-N 0 0 298.477 3.712 20 10 CHCDRN Cc1cc(N(c2ccccc2)c2ccc(N)cc2)n(C)n1 ZINC001174830233 1121048234 /nfs/dbraw/zinc/04/82/34/1121048234.db2.gz BJNQAJJDJAWDAF-UHFFFAOYSA-N 0 0 278.359 3.781 20 10 CHCDRN COc1ccc(N[C@H](C)c2cc(F)ccc2O)cc1 ZINC000094616782 1121085569 /nfs/dbraw/zinc/08/55/69/1121085569.db2.gz BXHKJVGKIJZTAP-SNVBAGLBSA-N 0 0 261.296 3.713 20 10 CHCDRN Nc1ccc(NC(=O)/C=C\c2ccccc2Cl)cc1 ZINC000700539499 1121104924 /nfs/dbraw/zinc/10/49/24/1121104924.db2.gz QLSBSUBRUXWFPY-YHYXMXQVSA-N 0 0 272.735 3.574 20 10 CHCDRN CC(C)(C)[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC001626099057 1121127567 /nfs/dbraw/zinc/12/75/67/1121127567.db2.gz DLEMFNZJCYCFHH-INIZCTEOSA-N 0 0 299.370 3.615 20 10 CHCDRN Nc1ccc(NC(=O)c2cc3c(cccc3F)s2)cc1 ZINC000701354421 1121144416 /nfs/dbraw/zinc/14/44/16/1121144416.db2.gz WCIXEDOALPBIOH-UHFFFAOYSA-N 0 0 286.331 3.875 20 10 CHCDRN CCCCc1ccc(NC(=S)NCc2ccccn2)cc1 ZINC000006629236 1121146799 /nfs/dbraw/zinc/14/67/99/1121146799.db2.gz DMNUJGHMGCELQX-UHFFFAOYSA-N 0 0 299.443 3.911 20 10 CHCDRN CCOc1cc(N(C)c2ccc(N)cc2)ccc1F ZINC001175052990 1121162699 /nfs/dbraw/zinc/16/26/99/1121162699.db2.gz SDKRTVGFOMMFLS-UHFFFAOYSA-N 0 0 260.312 3.575 20 10 CHCDRN Cc1cc(CN(C)CC(F)F)c(O)c(C(C)(C)C)c1 ZINC000728901636 1121162928 /nfs/dbraw/zinc/16/29/28/1121162928.db2.gz XVJGSNCWRGTDFW-UHFFFAOYSA-N 0 0 271.351 3.695 20 10 CHCDRN C[C@@H]([NH2+]CC1CC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000701942924 1121174096 /nfs/dbraw/zinc/17/40/96/1121174096.db2.gz DAVHJKNGVXGVEV-SNVBAGLBSA-N 0 0 251.345 3.618 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000701945178 1121174332 /nfs/dbraw/zinc/17/43/32/1121174332.db2.gz PWIZMRTWMZEGSQ-MRVPVSSYSA-N 0 0 296.144 3.834 20 10 CHCDRN CN(c1ccc(N)cc1)c1cccc(O[C@@H]2CCCCO2)c1 ZINC001175191358 1121203744 /nfs/dbraw/zinc/20/37/44/1121203744.db2.gz WIUGQKMKUMDLPV-GOSISDBHSA-N 0 0 298.386 3.942 20 10 CHCDRN C[C@H]([NH2+]Cc1cc(F)ccc1F)c1cc(F)ccc1O ZINC000094618217 1121215833 /nfs/dbraw/zinc/21/58/33/1121215833.db2.gz NZGKVLWFIFNGGD-VIFPVBQESA-N 0 0 281.277 3.660 20 10 CHCDRN CC[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])CC(F)(F)F ZINC000703214957 1121240280 /nfs/dbraw/zinc/24/02/80/1121240280.db2.gz OWODAVHWXVNWTC-QMMMGPOBSA-N 0 0 297.267 3.739 20 10 CHCDRN CCN(c1ccc(C(=O)Nc2ccc(N)cc2)cc1)C(C)C ZINC000236853147 1121241442 /nfs/dbraw/zinc/24/14/42/1121241442.db2.gz PUANKFNZXHJSRY-UHFFFAOYSA-N 0 0 297.402 3.756 20 10 CHCDRN Cc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])s1 ZINC000703290735 1121244842 /nfs/dbraw/zinc/24/48/42/1121244842.db2.gz IOWXIFNTTDBWKG-VIFPVBQESA-N 0 0 283.343 3.891 20 10 CHCDRN CN(Cc1nc(C(C)(C)C)cs1)c1ccc(N)cc1 ZINC000094967610 1121247095 /nfs/dbraw/zinc/24/70/95/1121247095.db2.gz WGFQLHCGBJFVRR-UHFFFAOYSA-N 0 0 275.421 3.659 20 10 CHCDRN CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703416932 1121252571 /nfs/dbraw/zinc/25/25/71/1121252571.db2.gz GQVKAZFASAKKIZ-VIFPVBQESA-N 0 0 257.324 3.585 20 10 CHCDRN Cc1ccc(O)c(CNc2cc(C(F)(F)F)ccn2)c1 ZINC000192148467 1128972843 /nfs/dbraw/zinc/97/28/43/1128972843.db2.gz PXTMFSGTTLRRBM-UHFFFAOYSA-N 0 0 282.265 3.727 20 10 CHCDRN CC(C)Oc1ccc(N(C)C[C@@H]2CCO[C@@H](C)C2)cc1 ZINC000763544340 1128982706 /nfs/dbraw/zinc/98/27/06/1128982706.db2.gz LOGZCWGLLZVMAY-LSDHHAIUSA-N 0 0 277.408 3.725 20 10 CHCDRN CCCn1cc(N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000182586802 1128986921 /nfs/dbraw/zinc/98/69/21/1128986921.db2.gz KYTOZAUUOLNMHW-CYBMUJFWSA-N 0 0 272.396 3.532 20 10 CHCDRN CCN(CC)c1ccc(CN[C@@H](C)C(F)(F)F)cc1F ZINC000759997810 1121518013 /nfs/dbraw/zinc/51/80/13/1121518013.db2.gz CKNGCTBEDVAUOV-JTQLQIEISA-N 0 0 292.320 3.712 20 10 CHCDRN CN(C)c1ccc(CNc2cc(C(F)(F)F)ccn2)cc1 ZINC000080764735 1128991004 /nfs/dbraw/zinc/99/10/04/1128991004.db2.gz VTWWDYXXFDNYHG-UHFFFAOYSA-N 0 0 295.308 3.779 20 10 CHCDRN Cc1cc(CN(CC(F)F)C2CCC2)ccc1N(C)C ZINC001176192789 1121570213 /nfs/dbraw/zinc/57/02/13/1121570213.db2.gz DKTYZQVBBMIZJC-UHFFFAOYSA-N 0 0 282.378 3.681 20 10 CHCDRN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C12CCC2 ZINC000248489486 1121571179 /nfs/dbraw/zinc/57/11/79/1121571179.db2.gz HKDASKGAXQDXBM-XFBWCDHKSA-N 0 0 293.382 3.530 20 10 CHCDRN Oc1ccc2cc(Nc3cccc(O)c3O)ccc2c1 ZINC001176387791 1121608506 /nfs/dbraw/zinc/60/85/06/1121608506.db2.gz WKGOGJPSNBMXHA-UHFFFAOYSA-N 0 0 267.284 3.700 20 10 CHCDRN Oc1cccc(Nc2ccc(OC(F)(F)F)cc2)c1O ZINC001176643300 1121667610 /nfs/dbraw/zinc/66/76/10/1121667610.db2.gz UMHXQELSRBEYJT-UHFFFAOYSA-N 0 0 285.221 3.740 20 10 CHCDRN CC(C)CCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001177186159 1121717789 /nfs/dbraw/zinc/71/77/89/1121717789.db2.gz GJPKKXNFZITKSG-UHFFFAOYSA-N 0 0 259.752 3.711 20 10 CHCDRN C[C@H]([NH2+]C1CCC(F)(F)CC1)c1ccc(F)cc1[O-] ZINC000688501497 1129003919 /nfs/dbraw/zinc/00/39/19/1129003919.db2.gz JPLTWYZSCKYWPT-VIFPVBQESA-N 0 0 273.298 3.760 20 10 CHCDRN CC[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000727733452 1121738005 /nfs/dbraw/zinc/73/80/05/1121738005.db2.gz INYGXHPQWYJKGQ-OAHLLOKOSA-N 0 0 297.402 3.504 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2C=CCCC2)c1 ZINC001178059783 1121763727 /nfs/dbraw/zinc/76/37/27/1121763727.db2.gz KHLJJNGTMBYCDB-GFCCVEGCSA-N 0 0 296.208 3.661 20 10 CHCDRN Cc1ccc(N(C)C(=O)/C=C\c2cncc(F)c2)cc1C ZINC000729328500 1121776537 /nfs/dbraw/zinc/77/65/37/1121776537.db2.gz VUYIJYJLIMGYJN-ALCCZGGFSA-N 0 0 284.334 3.514 20 10 CHCDRN C[C@@]1([NH2+]Cc2c([O-])ccc(Cl)c2F)CC=CCC1 ZINC001178930496 1121826681 /nfs/dbraw/zinc/82/66/81/1121826681.db2.gz DBDHVOLZNLRMSU-CQSZACIVSA-N 0 0 269.747 3.773 20 10 CHCDRN CCN(Cc1noc2c1CCCC2)c1ccc(OC)cc1 ZINC000731212098 1121854341 /nfs/dbraw/zinc/85/43/41/1121854341.db2.gz SBTUSIIKIYPFAA-UHFFFAOYSA-N 0 0 286.375 3.589 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001179228567 1121861259 /nfs/dbraw/zinc/86/12/59/1121861259.db2.gz LWYAVICKFCBVAQ-MXWKQRLJSA-N 0 0 283.774 3.711 20 10 CHCDRN Cc1ccc2nc(NC(=O)C3=CC(=O)CS3)sc2c1 ZINC000731864922 1121889821 /nfs/dbraw/zinc/88/98/21/1121889821.db2.gz FMWUQFQAQPONAA-UHFFFAOYSA-N 0 0 290.369 3.624 20 10 CHCDRN CC(C)(C)c1ccc(CNC(=O)C2=CC(=O)CS2)cc1 ZINC000732267801 1121914059 /nfs/dbraw/zinc/91/40/59/1121914059.db2.gz XCADFMLSBAEMPT-UHFFFAOYSA-N 0 0 289.400 3.681 20 10 CHCDRN O=C(Nc1cccc(C(F)(F)F)c1)C1=CC(=O)CS1 ZINC000732266668 1121914501 /nfs/dbraw/zinc/91/45/01/1121914501.db2.gz HWEZUUTTYYUGFJ-UHFFFAOYSA-N 0 0 287.262 3.725 20 10 CHCDRN O=C(NCC1CCCCCCC1)C1=CC(=O)CS1 ZINC000732275247 1121914935 /nfs/dbraw/zinc/91/49/35/1121914935.db2.gz UYWTTYDFICLYEM-UHFFFAOYSA-N 0 0 267.394 3.544 20 10 CHCDRN CN(Cc1ccc(F)cc1Cl)C(=O)C1=CC(=O)CS1 ZINC000732290216 1121915577 /nfs/dbraw/zinc/91/55/77/1121915577.db2.gz SPESWTXVDINHKU-UHFFFAOYSA-N 0 0 299.754 3.518 20 10 CHCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)C1CCCCC1 ZINC000732283249 1121916032 /nfs/dbraw/zinc/91/60/32/1121916032.db2.gz FRSPLKIBOJBZOS-LBPRGKRZSA-N 0 0 267.394 3.542 20 10 CHCDRN CCN(Cc1ccccc1Cl)C(=O)C1=CC(=O)CS1 ZINC000732268364 1121916683 /nfs/dbraw/zinc/91/66/83/1121916683.db2.gz KDFKOQJTLXLKNA-UHFFFAOYSA-N 0 0 295.791 3.769 20 10 CHCDRN CCN(C(=O)/C=C/c1cnc(C)s1)c1ccc(C)cc1 ZINC000732730161 1121938057 /nfs/dbraw/zinc/93/80/57/1121938057.db2.gz OHJZACBDSSGDOA-MDZDMXLPSA-N 0 0 286.400 3.826 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cccc(F)c1[O-])c1ccc(F)cc1 ZINC001180301153 1121972466 /nfs/dbraw/zinc/97/24/66/1121972466.db2.gz JPALDJJSIJIEIE-OAHLLOKOSA-N 0 0 277.314 3.911 20 10 CHCDRN COC[C@H](C)CN(Cc1ccccc1)c1ccc(OC)cc1 ZINC001180297194 1121977099 /nfs/dbraw/zinc/97/70/99/1121977099.db2.gz RZDRIWPUQPKKHZ-MRXNPFEDSA-N 0 0 299.414 3.984 20 10 CHCDRN C[C@H]([NH2+]CC1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192645959 1129022356 /nfs/dbraw/zinc/02/23/56/1129022356.db2.gz OXMWJIGZVIYFMF-ZETCQYMHSA-N 0 0 260.164 3.760 20 10 CHCDRN CC[C@H]1CC[C@H](C(=O)NCc2cccc(Cl)c2O)CC1 ZINC001180409617 1121987657 /nfs/dbraw/zinc/98/76/57/1121987657.db2.gz FJTMASDGLAVHTO-HAQNSBGRSA-N 0 0 295.810 3.878 20 10 CHCDRN CC[C@H](CC(C)C)C(=O)NCc1cccc(Cl)c1O ZINC001180410939 1121988086 /nfs/dbraw/zinc/98/80/86/1121988086.db2.gz VSAXOPWBNVFJIZ-LLVKDONJSA-N 0 0 283.799 3.734 20 10 CHCDRN Oc1cc(Cl)ccc1CNc1ccc(Cl)nc1 ZINC001180462299 1121992403 /nfs/dbraw/zinc/99/24/03/1121992403.db2.gz HXFCBMAMLGVTDL-UHFFFAOYSA-N 0 0 269.131 3.706 20 10 CHCDRN CN(Cc1cccc(C2CC2)c1)c1ccc2c(c1)OCO2 ZINC001180750246 1122010908 /nfs/dbraw/zinc/01/09/08/1122010908.db2.gz CKOIHYWYVWMOHJ-UHFFFAOYSA-N 0 0 281.355 3.929 20 10 CHCDRN Cc1cc(C)cc(CCN(C)c2ccc3c(c2)OCO3)c1 ZINC001180752611 1122011890 /nfs/dbraw/zinc/01/18/90/1122011890.db2.gz UVBDFMJLIUKMBS-UHFFFAOYSA-N 0 0 283.371 3.711 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(O)c(F)c2)cc1Cl ZINC001180758001 1122012539 /nfs/dbraw/zinc/01/25/39/1122012539.db2.gz FAPLYQGPOKKFMJ-UHFFFAOYSA-N 0 0 295.741 3.830 20 10 CHCDRN C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2[O-])C1 ZINC001181399747 1122054019 /nfs/dbraw/zinc/05/40/19/1122054019.db2.gz MBYXIZQUTFBDSU-MNOVXSKESA-N 0 0 253.773 3.571 20 10 CHCDRN C[C@H]1CC[C@H](C[NH2+]Cc2ccc(Cl)cc2[O-])C1 ZINC001181399748 1122054289 /nfs/dbraw/zinc/05/42/89/1122054289.db2.gz MBYXIZQUTFBDSU-QWRGUYRKSA-N 0 0 253.773 3.571 20 10 CHCDRN CCc1nn(C)cc1N[C@H](CC)c1ccc(N(C)C)cc1 ZINC000271950708 1122184327 /nfs/dbraw/zinc/18/43/27/1122184327.db2.gz BZSQECSOEGPNID-OAHLLOKOSA-N 0 0 286.423 3.612 20 10 CHCDRN CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001182874934 1122192897 /nfs/dbraw/zinc/19/28/97/1122192897.db2.gz VOWAEUKUELEYNE-SNVBAGLBSA-N 0 0 255.789 3.960 20 10 CHCDRN C/C=C/C[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001183168710 1122211391 /nfs/dbraw/zinc/21/13/91/1122211391.db2.gz AHFYLVADGLGLBD-YWVDXFKGSA-N 0 0 263.356 3.710 20 10 CHCDRN CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2O)CCO1 ZINC000272895340 1122214994 /nfs/dbraw/zinc/21/49/94/1122214994.db2.gz UCOKMZLEGVZWJF-RBSFLKMASA-N 0 0 277.408 3.637 20 10 CHCDRN Cc1ccc(O)c([C@H](C)Nc2cnn(CC(C)C)c2)c1 ZINC000273530945 1122237466 /nfs/dbraw/zinc/23/74/66/1122237466.db2.gz WIJGWGIEDGBSNA-ZDUSSCGKSA-N 0 0 273.380 3.726 20 10 CHCDRN [O-]c1cc(Cl)ccc1C[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001183842782 1122241218 /nfs/dbraw/zinc/24/12/18/1122241218.db2.gz FRZYZZGITIIAQR-MISXGVKJSA-N 0 0 265.784 3.571 20 10 CHCDRN Nc1ccc(Nc2ccc(Br)c(F)c2)cc1 ZINC000083826300 1122250525 /nfs/dbraw/zinc/25/05/25/1122250525.db2.gz YRXDJWUWRVPEQO-UHFFFAOYSA-N 0 0 281.128 3.914 20 10 CHCDRN CC[C@@H](Nc1cc(C)ccn1)c1ccc(F)cc1O ZINC000796856720 1122301849 /nfs/dbraw/zinc/30/18/49/1122301849.db2.gz SUVLUDOMSLDBMI-CYBMUJFWSA-N 0 0 260.312 3.798 20 10 CHCDRN C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2[O-])C[C@@H]1C ZINC001205320637 1122307584 /nfs/dbraw/zinc/30/75/84/1122307584.db2.gz LPXRYPJTQWSZQQ-UHIISALHSA-N 0 0 267.800 3.960 20 10 CHCDRN Oc1c(Cl)cccc1CNc1nc2c(cccc2F)o1 ZINC001187861132 1122445575 /nfs/dbraw/zinc/44/55/75/1122445575.db2.gz HRVYHGMKZHWDFB-UHFFFAOYSA-N 0 0 292.697 3.938 20 10 CHCDRN Cc1ccc(O)c(C[N@@H+](C)Cc2cc(C)ccc2F)c1 ZINC000775167526 1122465483 /nfs/dbraw/zinc/46/54/83/1122465483.db2.gz JRMLPVFSXBBZSF-UHFFFAOYSA-N 0 0 273.351 3.780 20 10 CHCDRN COC(=O)c1cc(OC[C@@H](C)CC(C)C)ccc1N(C)C ZINC001189968632 1122518859 /nfs/dbraw/zinc/51/88/59/1122518859.db2.gz VUOYICNZENJSDX-ZDUSSCGKSA-N 0 0 293.407 3.600 20 10 CHCDRN CC(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)=C1CCCC1 ZINC000775412175 1122555312 /nfs/dbraw/zinc/55/53/12/1122555312.db2.gz UUBHEMZMELASMM-AWEZNQCLSA-N 0 0 286.419 3.820 20 10 CHCDRN CCN(C[C@@H](OC)C1CCCC1)c1ccc(OC)cc1 ZINC001191837953 1122618788 /nfs/dbraw/zinc/61/87/88/1122618788.db2.gz HEFMZVXRHNXYHR-QGZVFWFLSA-N 0 0 277.408 3.727 20 10 CHCDRN CCCCOC(=O)[C@H](C)N(CC)c1ccc(OCC)cc1 ZINC001192013307 1122626765 /nfs/dbraw/zinc/62/67/65/1122626765.db2.gz LIHKLNVGGSEQAE-AWEZNQCLSA-N 0 0 293.407 3.643 20 10 CHCDRN CC[C@H](Nc1cnn(C)c1C)c1cc(Cl)ccc1O ZINC000775540353 1122654713 /nfs/dbraw/zinc/65/47/13/1122654713.db2.gz IFMKMLKYJZEIKL-LBPRGKRZSA-N 0 0 279.771 3.651 20 10 CHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)OC(C)C ZINC001193522873 1122696816 /nfs/dbraw/zinc/69/68/16/1122696816.db2.gz XWKPRVBOHLPJHU-HNNXBMFYSA-N 0 0 291.391 3.767 20 10 CHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)OC(C)C ZINC001193522874 1122697091 /nfs/dbraw/zinc/69/70/91/1122697091.db2.gz XWKPRVBOHLPJHU-OAHLLOKOSA-N 0 0 291.391 3.767 20 10 CHCDRN CCCCOC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001193715858 1122713695 /nfs/dbraw/zinc/71/36/95/1122713695.db2.gz TWVCUGNIDNETRS-UHFFFAOYSA-N 0 0 290.407 3.703 20 10 CHCDRN CC(C)COC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001193824060 1122722520 /nfs/dbraw/zinc/72/25/20/1122722520.db2.gz UJYHFBMASKYLTO-UHFFFAOYSA-N 0 0 290.407 3.511 20 10 CHCDRN COCc1ccc(N[C@@H](C)c2ccc(F)cc2O)cc1 ZINC000193422557 1129076522 /nfs/dbraw/zinc/07/65/22/1129076522.db2.gz HILXDKHCJQXDKT-NSHDSACASA-N 0 0 275.323 3.851 20 10 CHCDRN Cc1ccc(OC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC001194486082 1122779825 /nfs/dbraw/zinc/77/98/25/1122779825.db2.gz XUTBDWDBMXZOQA-AWEZNQCLSA-N 0 0 298.386 3.911 20 10 CHCDRN CCC(CC)COC(=O)N(CC)Cc1ccccc1O ZINC001194703441 1122789423 /nfs/dbraw/zinc/78/94/23/1122789423.db2.gz PBEAUHCWDXPUCN-UHFFFAOYSA-N 0 0 279.380 3.787 20 10 CHCDRN CC(C)[N@@H+](Cc1cccc(Cl)c1[O-])CC1CC1 ZINC000775656643 1122871996 /nfs/dbraw/zinc/87/19/96/1122871996.db2.gz LMBLLHIWPBXENV-UHFFFAOYSA-N 0 0 253.773 3.666 20 10 CHCDRN Cc1ccc(NC(=S)NCc2cc(Cl)ccn2)cc1 ZINC001197897023 1122972392 /nfs/dbraw/zinc/97/23/92/1122972392.db2.gz SFRFXTQMKXDBSE-UHFFFAOYSA-N 0 0 291.807 3.530 20 10 CHCDRN Cc1cccc(NC(=S)NCc2cccc(Cl)n2)c1 ZINC001198700513 1123005295 /nfs/dbraw/zinc/00/52/95/1123005295.db2.gz RERDCYMBNAJCEG-UHFFFAOYSA-N 0 0 291.807 3.530 20 10 CHCDRN C[N@H+](Cc1ccc(Br)cc1O)C1CCCC1 ZINC000691739532 1123023842 /nfs/dbraw/zinc/02/38/42/1123023842.db2.gz XVTJSGRPQZBENS-UHFFFAOYSA-N 0 0 284.197 3.529 20 10 CHCDRN COc1cccc(N[C@@H](C)c2cc(F)ccc2O)c1F ZINC000690000453 1123029716 /nfs/dbraw/zinc/02/97/16/1123029716.db2.gz FKPJWFJVVAPRLA-VIFPVBQESA-N 0 0 279.286 3.852 20 10 CHCDRN Oc1cccc(NC(=S)Nc2cccc(Cl)c2)c1O ZINC001201103677 1123073494 /nfs/dbraw/zinc/07/34/94/1123073494.db2.gz FCHPCFPMUKEZFE-UHFFFAOYSA-N 0 0 294.763 3.560 20 10 CHCDRN CC(C)C(C)(C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776169396 1123100651 /nfs/dbraw/zinc/10/06/51/1123100651.db2.gz NIOQTHNMDDNZFE-UHFFFAOYSA-N 0 0 259.752 3.709 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000776174798 1123101566 /nfs/dbraw/zinc/10/15/66/1123101566.db2.gz TVURTSJVBODSHC-GJZGRUSLSA-N 0 0 287.790 3.939 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc(-n3ccnn3)cc2)cc1 ZINC001201496948 1123110366 /nfs/dbraw/zinc/11/03/66/1123110366.db2.gz BFUAFEWKFDLMBH-UHFFFAOYSA-N 0 0 293.374 3.831 20 10 CHCDRN COC(=O)Cc1ccc(Nc2ccc(NC(C)C)cc2)cc1 ZINC001201497485 1123111094 /nfs/dbraw/zinc/11/10/94/1123111094.db2.gz GBQMXFFLVCVXMP-UHFFFAOYSA-N 0 0 298.386 3.966 20 10 CHCDRN CC(C)Nc1ccc(Nc2cccc(CO)c2F)cc1 ZINC001201497819 1123111384 /nfs/dbraw/zinc/11/13/84/1123111384.db2.gz MNABWHPSEUUCLT-UHFFFAOYSA-N 0 0 274.339 3.882 20 10 CHCDRN COC(=O)c1cccc(N)c1Nc1ccc(NC(C)C)cc1 ZINC001201497789 1123111424 /nfs/dbraw/zinc/11/14/24/1123111424.db2.gz LAPLDEDSPGKEQP-UHFFFAOYSA-N 0 0 299.374 3.619 20 10 CHCDRN CSCCSc1ncc(-c2ccccc2)n1C ZINC000193633951 1129100099 /nfs/dbraw/zinc/10/00/99/1129100099.db2.gz KQSOINQKKCGYAQ-UHFFFAOYSA-N 0 0 264.419 3.542 20 10 CHCDRN Nc1ccc(N(c2ccccc2)c2cncc(O)c2)cc1 ZINC001201641898 1123135355 /nfs/dbraw/zinc/13/53/55/1123135355.db2.gz VTYPHYHMBACLHF-UHFFFAOYSA-N 0 0 277.327 3.839 20 10 CHCDRN CCCCOC(=O)[C@H](C)Sc1ncc(Cl)s1 ZINC000850000008 1123236927 /nfs/dbraw/zinc/23/69/27/1123236927.db2.gz GKXJWFMQCLTEGF-ZETCQYMHSA-N 0 0 279.814 3.620 20 10 CHCDRN Clc1cnc(SCC[C@@H]2CCCCO2)s1 ZINC000850000211 1123237014 /nfs/dbraw/zinc/23/70/14/1123237014.db2.gz MFUHTXFSNSFETJ-QMMMGPOBSA-N 0 0 263.815 3.848 20 10 CHCDRN Clc1cnc(SCCOC2CCCC2)s1 ZINC000850000209 1123237118 /nfs/dbraw/zinc/23/71/18/1123237118.db2.gz MELKPPUMSUJTBS-UHFFFAOYSA-N 0 0 263.815 3.848 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](C)C1 ZINC000776472630 1123266077 /nfs/dbraw/zinc/26/60/77/1123266077.db2.gz AJJDIXDYMVGPPX-UONOGXRCSA-N 0 0 275.392 3.567 20 10 CHCDRN CC[C@H]([NH2+]CCC1CC(OC)C1)c1cccc(Cl)c1[O-] ZINC000850481040 1123273817 /nfs/dbraw/zinc/27/38/17/1123273817.db2.gz DOTVHPYWNHBFOF-QOZQQMKHSA-N 0 0 297.826 3.901 20 10 CHCDRN CCO[C@H]1C[C@H]([NH2+][C@@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000850514511 1123279118 /nfs/dbraw/zinc/27/91/18/1123279118.db2.gz NIWNFQWZXNRDRV-MJVIPROJSA-N 0 0 283.799 3.654 20 10 CHCDRN C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1cc(F)cc(F)c1[O-] ZINC000850536171 1123286745 /nfs/dbraw/zinc/28/67/45/1123286745.db2.gz HVNAEPABKKGXRC-ISVAXAHUSA-N 0 0 291.288 3.756 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1cc(F)cc(F)c1[O-] ZINC000850553614 1123289864 /nfs/dbraw/zinc/28/98/64/1123289864.db2.gz ZMNDCSVJXLXHIP-WRWORJQWSA-N 0 0 291.288 3.612 20 10 CHCDRN CC[C@@H]([NH2+]CC1CCC(O)CC1)c1cccc(Cl)c1[O-] ZINC000850553121 1123290097 /nfs/dbraw/zinc/29/00/97/1123290097.db2.gz SFHUPPMNSQOXCX-KOHJWAIASA-N 0 0 297.826 3.637 20 10 CHCDRN CC(C)CC1([NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000850566332 1123293288 /nfs/dbraw/zinc/29/32/88/1123293288.db2.gz LRFQIJXBNXYPIB-LLVKDONJSA-N 0 0 251.345 3.761 20 10 CHCDRN CC(C)CC1([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000850565957 1123293572 /nfs/dbraw/zinc/29/35/72/1123293572.db2.gz IEHYOACAWXOKIN-SNVBAGLBSA-N 0 0 269.335 3.900 20 10 CHCDRN COc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1C ZINC000850579733 1123296283 /nfs/dbraw/zinc/29/62/83/1123296283.db2.gz ZABZSBCBDJSPSC-LBPRGKRZSA-N 0 0 289.350 3.699 20 10 CHCDRN CN(Cc1ncc(-c2ccccc2)o1)Cc1ccccc1O ZINC000109771833 1123326658 /nfs/dbraw/zinc/32/66/58/1123326658.db2.gz CXSVBUFAWRDOPZ-UHFFFAOYSA-N 0 0 294.354 3.679 20 10 CHCDRN CC[C@H]1CN(Cc2ccccc2O)c2ccccc2O1 ZINC000776523245 1123345915 /nfs/dbraw/zinc/34/59/15/1123345915.db2.gz AOVRFJPCUAHDSA-AWEZNQCLSA-N 0 0 269.344 3.570 20 10 CHCDRN Nc1ccc(NC(=O)C2CC3(C2)CCCCC3)cc1 ZINC000851633279 1123372257 /nfs/dbraw/zinc/37/22/57/1123372257.db2.gz FXXVISXMZRPTAT-UHFFFAOYSA-N 0 0 258.365 3.568 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])C1CC1 ZINC000852554926 1123409164 /nfs/dbraw/zinc/40/91/64/1123409164.db2.gz GBWSYDFYCTVXCS-CQSZACIVSA-N 0 0 281.783 3.526 20 10 CHCDRN CC(C)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])CC(F)F ZINC000895534865 1123488508 /nfs/dbraw/zinc/48/85/08/1123488508.db2.gz KTIKCIPPCCQEPG-UHFFFAOYSA-N 0 0 295.732 3.956 20 10 CHCDRN CCN(C(=O)/C=C/c1scnc1C)c1ccc(C)cc1 ZINC000776761524 1123498831 /nfs/dbraw/zinc/49/88/31/1123498831.db2.gz KEKQGXSGEDQJPU-MDZDMXLPSA-N 0 0 286.400 3.826 20 10 CHCDRN O=C(NCc1cc(Cl)ccc1O)C1CCC2(CC2)CC1 ZINC000855022510 1123503738 /nfs/dbraw/zinc/50/37/38/1123503738.db2.gz AHJSRBFBAKEQOI-UHFFFAOYSA-N 0 0 293.794 3.632 20 10 CHCDRN Cc1cc(C[NH2+][C@@H](C)c2ccccc2O)c2c(n1)CCCC2 ZINC000895852571 1123522374 /nfs/dbraw/zinc/52/23/74/1123522374.db2.gz WUPFYNQNUUBDGF-AWEZNQCLSA-N 0 0 296.414 3.825 20 10 CHCDRN CCCSC[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000895852377 1123522488 /nfs/dbraw/zinc/52/24/88/1123522488.db2.gz ULPLQFVTEOAOOR-RYUDHWBXSA-N 0 0 253.411 3.575 20 10 CHCDRN Cc1cc(Cl)cc([C@H](C)N[C@H](C)C(F)F)c1O ZINC000883400951 1123574516 /nfs/dbraw/zinc/57/45/16/1123574516.db2.gz YRTYYSWECSNBCY-JGVFFNPUSA-N 0 0 263.715 3.658 20 10 CHCDRN C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(Cl)cc1[O-] ZINC000857080854 1123585146 /nfs/dbraw/zinc/58/51/46/1123585146.db2.gz LGMTTZBQSXJGIQ-DTWKUNHWSA-N 0 0 275.726 3.742 20 10 CHCDRN CCc1cccc(CNc2cnn(C3CCCC3)c2)c1O ZINC000896697234 1123613981 /nfs/dbraw/zinc/61/39/81/1123613981.db2.gz NPKAUVOCHUCCCP-UHFFFAOYSA-N 0 0 285.391 3.878 20 10 CHCDRN Cn1cc(/C=C\C(=O)N(CC(C)(C)C)c2ccccc2)cn1 ZINC000776976870 1123619218 /nfs/dbraw/zinc/61/92/18/1123619218.db2.gz UGVNAARYHUIDOG-KHPPLWFESA-N 0 0 297.402 3.513 20 10 CHCDRN CC(C)(C)c1cnc(Sc2nccnc2F)s1 ZINC000858445102 1123654768 /nfs/dbraw/zinc/65/47/68/1123654768.db2.gz AHVBWTYCAHLNDH-UHFFFAOYSA-N 0 0 269.370 3.521 20 10 CHCDRN C/C=C\C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000858538327 1123659557 /nfs/dbraw/zinc/65/95/57/1123659557.db2.gz UEBUAMSFGSUXCP-VEMNSZJBSA-N 0 0 288.160 3.521 20 10 CHCDRN C/C=C/C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000858536946 1123660954 /nfs/dbraw/zinc/66/09/54/1123660954.db2.gz LGSJCHDQVJEBDS-CDAZIORVSA-N 0 0 259.271 3.638 20 10 CHCDRN C/C=C\C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000858535754 1123660973 /nfs/dbraw/zinc/66/09/73/1123660973.db2.gz BGBVBWWSTVILJJ-VEMNSZJBSA-N 0 0 260.164 3.926 20 10 CHCDRN C[C@H](NCc1cocn1)c1ccc(N2CCCCC2)cc1 ZINC000777038260 1123662420 /nfs/dbraw/zinc/66/24/20/1123662420.db2.gz YGHMRETXHXPUHY-AWEZNQCLSA-N 0 0 285.391 3.516 20 10 CHCDRN CC(C)CCOC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000858900258 1123676549 /nfs/dbraw/zinc/67/65/49/1123676549.db2.gz NGSRNXDYZOINCJ-UHFFFAOYSA-N 0 0 290.407 3.559 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)c1cc2cc(F)ccc2o1 ZINC000117971120 1123767467 /nfs/dbraw/zinc/76/74/67/1123767467.db2.gz LBHIJDIRWPHHJX-UHFFFAOYSA-N 0 0 299.301 3.550 20 10 CHCDRN CC[N@H+](Cc1cnc(C2CC2)o1)Cc1ccc(N(C)C)cc1 ZINC000862211009 1123792059 /nfs/dbraw/zinc/79/20/59/1123792059.db2.gz AABYZFCTJMIFGM-UHFFFAOYSA-N 0 0 299.418 3.640 20 10 CHCDRN COC[C@@H](Sc1nccs1)c1ccccc1 ZINC000897002419 1123797446 /nfs/dbraw/zinc/79/74/46/1123797446.db2.gz AMHZIIBZKFADAA-LLVKDONJSA-N 0 0 251.376 3.623 20 10 CHCDRN C[C@@H]1C[NH+](Cc2cccc(Cl)c2[O-])C[C@@H](C)C1(F)F ZINC000862444025 1123811245 /nfs/dbraw/zinc/81/12/45/1123811245.db2.gz SJAFFIGWBQOOGX-NXEZZACHSA-N 0 0 289.753 3.769 20 10 CHCDRN C/C=C\C[C@H]1CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000862550491 1123819485 /nfs/dbraw/zinc/81/94/85/1123819485.db2.gz MEJJDQYZMZVETL-NQHOJNORSA-N 0 0 275.392 3.579 20 10 CHCDRN CCc1ccc(CCC(=O)NCc2cc(C)ccc2O)cc1 ZINC000862761096 1123827271 /nfs/dbraw/zinc/82/72/71/1123827271.db2.gz DHFJWPIMUVLYJT-UHFFFAOYSA-N 0 0 297.398 3.512 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)CCCC(C)(C)C)c1 ZINC000862760129 1123827518 /nfs/dbraw/zinc/82/75/18/1123827518.db2.gz MXBMNNNDTQFNOQ-UHFFFAOYSA-N 0 0 263.381 3.533 20 10 CHCDRN CC[C@H]1CCCC[C@@H]1C(=O)NCc1cc(C)ccc1O ZINC000862755104 1123827942 /nfs/dbraw/zinc/82/79/42/1123827942.db2.gz CXGSKMYJGXAVPI-ZFWWWQNUSA-N 0 0 275.392 3.533 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2CCCC[C@@H]2C)c1 ZINC000862759243 1123828040 /nfs/dbraw/zinc/82/80/40/1123828040.db2.gz YZBIFLUAAYCEHX-KBPBESRZSA-N 0 0 275.392 3.533 20 10 CHCDRN CC[C@@H](Nc1cccc2c1CN(C)C2=O)c1ccccc1O ZINC000840857975 1123860935 /nfs/dbraw/zinc/86/09/35/1123860935.db2.gz WHCZHGTVVKNZGD-OAHLLOKOSA-N 0 0 296.370 3.541 20 10 CHCDRN COc1ccc(C[NH2+]C[C@@H](C)c2ccc(C)cc2)c(O)c1 ZINC000119687548 1123900612 /nfs/dbraw/zinc/90/06/12/1123900612.db2.gz QDEVESOEFBURNF-CQSZACIVSA-N 0 0 285.387 3.603 20 10 CHCDRN Cc1nc2c(cccc2NCc2ccc(N(C)C)c(F)c2)o1 ZINC000864014607 1123909435 /nfs/dbraw/zinc/90/94/35/1123909435.db2.gz QWXQYLLWJKEXJA-UHFFFAOYSA-N 0 0 299.349 3.953 20 10 CHCDRN Cc1cccc(CNc2ccc3oc(CO)cc3c2)c1O ZINC000864040345 1123912544 /nfs/dbraw/zinc/91/25/44/1123912544.db2.gz APPMAMQXUVAFJX-UHFFFAOYSA-N 0 0 283.327 3.551 20 10 CHCDRN COc1ccc(NCc2cc(Cl)cc(F)c2O)c(F)c1 ZINC000864042470 1123912936 /nfs/dbraw/zinc/91/29/36/1123912936.db2.gz NLBWXARNZLFKEO-UHFFFAOYSA-N 0 0 299.704 3.945 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](CO)c1ccccc1C)c1ccc(C)cc1O ZINC000794804858 1123952646 /nfs/dbraw/zinc/95/26/46/1123952646.db2.gz VQWKHWUMGGCMMT-MSOLQXFVSA-N 0 0 299.414 3.783 20 10 CHCDRN C[C@H](Nc1cccc2c1CCO2)c1ccc(N(C)C)cc1 ZINC000794832874 1123967528 /nfs/dbraw/zinc/96/75/28/1123967528.db2.gz CJEHIMUBZCOHBY-ZDUSSCGKSA-N 0 0 282.387 3.861 20 10 CHCDRN Cc1nc(Cl)cc(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302421728 1123968245 /nfs/dbraw/zinc/96/82/45/1123968245.db2.gz OELQDCMGVXHRNR-SNVBAGLBSA-N 0 0 290.798 3.678 20 10 CHCDRN Cc1cc(C)c(CSc2nccs2)c(C)n1 ZINC000865352344 1123973014 /nfs/dbraw/zinc/97/30/14/1123973014.db2.gz HWQSAOLGVXDCMZ-UHFFFAOYSA-N 0 0 250.392 3.756 20 10 CHCDRN Cc1cc2ccccc2nc1N(C)Cc1ccccc1O ZINC000302651018 1123975996 /nfs/dbraw/zinc/97/59/96/1123975996.db2.gz NCUMHMVEQJKYTG-UHFFFAOYSA-N 0 0 278.355 3.885 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000794841992 1123989865 /nfs/dbraw/zinc/98/98/65/1123989865.db2.gz OONVYDAGQQIKQI-MXWKQRLJSA-N 0 0 269.335 3.757 20 10 CHCDRN Cc1cc(O)c(CNc2cn(C)nc2C2CC2)c(Cl)c1 ZINC000840948547 1124036317 /nfs/dbraw/zinc/03/63/17/1124036317.db2.gz VFRJGMKBMWQURE-UHFFFAOYSA-N 0 0 291.782 3.577 20 10 CHCDRN CC[C@H]([NH2+]CC[C@H]1CCSC1)c1ccc(F)cc1[O-] ZINC000866405182 1124063539 /nfs/dbraw/zinc/06/35/39/1124063539.db2.gz YODSXFDJFHWYIH-FZMZJTMJSA-N 0 0 283.412 3.715 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)c1cccc(Cl)c1[O-] ZINC000866448358 1124066117 /nfs/dbraw/zinc/06/61/17/1124066117.db2.gz VGPQIBJSINLHNP-XYHOJCAOSA-N 0 0 283.799 3.652 20 10 CHCDRN C[C@@H](Nc1cnn2c1CCCC2)c1ccc(Cl)cc1O ZINC000866461808 1124068735 /nfs/dbraw/zinc/06/87/35/1124068735.db2.gz UZJZHTQNRNXMIA-SNVBAGLBSA-N 0 0 291.782 3.752 20 10 CHCDRN C[C@H](Nc1cnn2c1CCCC2)c1ccc(Cl)cc1O ZINC000866461807 1124068806 /nfs/dbraw/zinc/06/88/06/1124068806.db2.gz UZJZHTQNRNXMIA-JTQLQIEISA-N 0 0 291.782 3.752 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[C@H]1C ZINC000819382617 1131246056 /nfs/dbraw/zinc/24/60/56/1131246056.db2.gz PGOWIMKIXSVCLQ-GDBMZVCRSA-N 0 0 289.419 3.957 20 10 CHCDRN Nc1ccc(NC(=O)N2CCC[C@H](C3CCC3)CC2)cc1 ZINC000868163020 1124459702 /nfs/dbraw/zinc/45/97/02/1124459702.db2.gz LQVFNNRYCLZMQC-AWEZNQCLSA-N 0 0 287.407 3.703 20 10 CHCDRN CC[C@H](C)CCCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871203535 1124602229 /nfs/dbraw/zinc/60/22/29/1124602229.db2.gz BPYHVAPSKDPQFB-ZDUSSCGKSA-N 0 0 275.392 3.841 20 10 CHCDRN O=C([C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1Cc2cccc(O)c2C1 ZINC000871203024 1124602240 /nfs/dbraw/zinc/60/22/40/1124602240.db2.gz KMTAXCXMBDXPOU-SOUVJXGZSA-N 0 0 299.414 3.841 20 10 CHCDRN CC1(C)CCCC[C@@H]1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871203668 1124602405 /nfs/dbraw/zinc/60/24/05/1124602405.db2.gz PMHVSASYRKDXJB-CQSZACIVSA-N 0 0 287.403 3.841 20 10 CHCDRN CCCCCC[C@@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202308 1124602869 /nfs/dbraw/zinc/60/28/69/1124602869.db2.gz CZGCVVCKXUOMMM-CYBMUJFWSA-N 0 0 275.392 3.841 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNc1cncc(Cl)n1 ZINC000795180661 1124619544 /nfs/dbraw/zinc/61/95/44/1124619544.db2.gz CRGAWRBGQYPGSO-UHFFFAOYSA-N 0 0 286.766 3.542 20 10 CHCDRN Clc1cnc(SCc2nc3c(o2)CCCC3)s1 ZINC000871679013 1124625687 /nfs/dbraw/zinc/62/56/87/1124625687.db2.gz SYJMKIXJLKAVAS-UHFFFAOYSA-N 0 0 286.809 3.956 20 10 CHCDRN Clc1cnc(SC[C@@H]2C[C@@H]3CCC[C@@H]3O2)s1 ZINC000871679212 1124626016 /nfs/dbraw/zinc/62/60/16/1124626016.db2.gz WCGKSOFVGBHIBD-CIUDSAMLSA-N 0 0 275.826 3.846 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccc(F)cc1[O-] ZINC000872108386 1124684776 /nfs/dbraw/zinc/68/47/76/1124684776.db2.gz SPRWTHYPTUZOPN-RKHKHNFPSA-N 0 0 293.382 3.530 20 10 CHCDRN CCCOc1ccc(CNCc2csc(C)n2)cc1C ZINC000873016593 1124733755 /nfs/dbraw/zinc/73/37/55/1124733755.db2.gz MHRMJNLBBHFCPE-UHFFFAOYSA-N 0 0 290.432 3.839 20 10 CHCDRN O=C(NCc1ccccc1O)[C@H]1CCC[C@H]1c1ccccc1 ZINC000825659340 1124740952 /nfs/dbraw/zinc/74/09/52/1124740952.db2.gz ZTPMCFAVNXPELW-IRXDYDNUSA-N 0 0 295.382 3.592 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH+]1CCCCCCC1 ZINC000124509570 1124767131 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3.712 20 10 CHCDRN C[C@@H](Nc1ccc(N(C)C)cc1)c1ccc(F)cc1O ZINC000062745959 525706490 /nfs/dbraw/zinc/70/64/90/525706490.db2.gz RIFCLOUUZPWVEW-LLVKDONJSA-N 0 0 274.339 3.770 20 10 CHCDRN CSc1ccc(N[C@H](C)c2cc(C)ccc2O)nc1 ZINC000273498458 526045401 /nfs/dbraw/zinc/04/54/01/526045401.db2.gz PQZOUYJSBCOYLJ-LLVKDONJSA-N 0 0 274.389 3.991 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCSC1 ZINC000228553909 526323847 /nfs/dbraw/zinc/32/38/47/526323847.db2.gz SJVIZSAJTMXZLU-QMMMGPOBSA-N 0 0 292.231 3.542 20 10 CHCDRN O=C(CSc1nccs1)C1(c2ccccc2)CC1 ZINC000280048862 527071701 /nfs/dbraw/zinc/07/17/01/527071701.db2.gz XUPMQEWWDXDTTD-UHFFFAOYSA-N 0 0 275.398 3.536 20 10 CHCDRN O=C(C[C@H]1C=CCCC1)NCc1ccc(N2CCCC2)cc1 ZINC000188989634 527158491 /nfs/dbraw/zinc/15/84/91/527158491.db2.gz RGDPFZRSKHOVJK-INIZCTEOSA-N 0 0 298.430 3.649 20 10 CHCDRN CCC[N@H+](Cc1cccc(C(=O)[O-])c1)Cc1ccccc1O ZINC000737020128 599770051 /nfs/dbraw/zinc/77/00/51/599770051.db2.gz QWBHZGVJNRSLDB-UHFFFAOYSA-N 0 0 299.370 3.503 20 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275.314 3.863 20 10 CHCDRN CCC[C@H](O)CSc1ncc(C(C)(C)C)s1 ZINC000840200691 1132249410 /nfs/dbraw/zinc/24/94/10/1132249410.db2.gz QMBAYIYRHYGORV-VIFPVBQESA-N 0 0 259.440 3.694 20 10 CHCDRN Cc1cc(C)c(CN2CCCC[C@@H]2C(F)(F)F)c(O)c1 ZINC001231845689 1132379074 /nfs/dbraw/zinc/37/90/74/1132379074.db2.gz QCHGUEOTTWMNRA-CQSZACIVSA-N 0 0 287.325 3.926 20 10 CHCDRN CCCn1cc(N[C@H](C)c2ccc(Cl)cc2O)cn1 ZINC000841750148 1132390931 /nfs/dbraw/zinc/39/09/31/1132390931.db2.gz MFNPINHWAJYNRT-SNVBAGLBSA-N 0 0 279.771 3.825 20 10 CHCDRN CSC1(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CCC1 ZINC000841752173 1132391097 /nfs/dbraw/zinc/39/10/97/1132391097.db2.gz MPLODGKQQMEHTE-SNVBAGLBSA-N 0 0 285.840 3.982 20 10 CHCDRN C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(Cl)cc1[O-] ZINC000841754619 1132391964 /nfs/dbraw/zinc/39/19/64/1132391964.db2.gz UDKDOMDXEKEIRR-DGCLKSJQSA-N 0 0 283.799 3.655 20 10 CHCDRN C[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccc(Cl)cc1[O-] ZINC000841753012 1132392577 /nfs/dbraw/zinc/39/25/77/1132392577.db2.gz DNTIQEFEJZPQSX-MRVPVSSYSA-N 0 0 275.726 3.742 20 10 CHCDRN COc1cc(O)c(C[N@@H+]2CCC[C@H]2C(C)C)cc1Cl ZINC001232269360 1132447804 /nfs/dbraw/zinc/44/78/04/1132447804.db2.gz WZQISAMJLFNCNM-ZDUSSCGKSA-N 0 0 283.799 3.675 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(O)cc1 ZINC000134233731 1125546344 /nfs/dbraw/zinc/54/63/44/1125546344.db2.gz QJONJQCAQXKCDV-UHFFFAOYSA-N 0 0 298.169 3.694 20 10 CHCDRN CC(C)CN(C(=O)/C=C/c1cncc(F)c1)c1ccccc1 ZINC000729350204 1125553760 /nfs/dbraw/zinc/55/37/60/1125553760.db2.gz VVFNUVPSZZKAQX-CMDGGOBGSA-N 0 0 298.361 3.923 20 10 CHCDRN CN(C(=O)CC[C@H]1CCc2ccccc21)c1ccc(N)cc1 ZINC000884441714 1125565121 /nfs/dbraw/zinc/56/51/21/1125565121.db2.gz NUTSRFQLLGFOLO-OAHLLOKOSA-N 0 0 294.398 3.742 20 10 CHCDRN C[C@H]([NH2+]CC1(CO)CCCCC1)c1ccc(Cl)cc1[O-] ZINC000841747294 1125576622 /nfs/dbraw/zinc/57/66/22/1125576622.db2.gz AEWFZRHUDOKJOR-LBPRGKRZSA-N 0 0 297.826 3.639 20 10 CHCDRN CCOc1ccc(NCc2ccccc2O)cc1F ZINC000135308460 1125583554 /nfs/dbraw/zinc/58/35/54/1125583554.db2.gz LYAKALRVVQWGIY-UHFFFAOYSA-N 0 0 261.296 3.542 20 10 CHCDRN C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841758082 1125597788 /nfs/dbraw/zinc/59/77/88/1125597788.db2.gz KKOXPUUMSHHISB-RYUDHWBXSA-N 0 0 290.794 3.722 20 10 CHCDRN Cc1cccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886495012 1125680266 /nfs/dbraw/zinc/68/02/66/1125680266.db2.gz DTLFERJFKNASCX-LBPRGKRZSA-N 0 0 259.324 3.691 20 10 CHCDRN COc1cccc([C@@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886507680 1125681787 /nfs/dbraw/zinc/68/17/87/1125681787.db2.gz VDCIQRXAMHRSAW-NEPJUHHUSA-N 0 0 289.350 3.952 20 10 CHCDRN C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886522249 1125683244 /nfs/dbraw/zinc/68/32/44/1125683244.db2.gz FVYNJCFRNZTCJE-NEPJUHHUSA-N 0 0 289.350 3.519 20 10 CHCDRN Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)CO2 ZINC000886551852 1125689767 /nfs/dbraw/zinc/68/97/67/1125689767.db2.gz PNKAGUCEVNUQQB-SMDDNHRTSA-N 0 0 287.334 3.624 20 10 CHCDRN C[C@H](Nc1cccc2c1CCO2)c1c(O)cccc1F ZINC000886605024 1125696315 /nfs/dbraw/zinc/69/63/15/1125696315.db2.gz ICZNBNFLOWRVMM-JTQLQIEISA-N 0 0 273.307 3.639 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1CC12CCSCC2)c1c([O-])cccc1F ZINC000886627989 1125699455 /nfs/dbraw/zinc/69/94/55/1125699455.db2.gz CAGFAGYTHGXOFY-NEPJUHHUSA-N 0 0 295.423 3.715 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CC12CCSCC2)c1c([O-])cccc1F ZINC000886627990 1125699480 /nfs/dbraw/zinc/69/94/80/1125699480.db2.gz CAGFAGYTHGXOFY-NWDGAFQWSA-N 0 0 295.423 3.715 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)[C@H]1CCCCO1 ZINC000886634868 1125700426 /nfs/dbraw/zinc/70/04/26/1125700426.db2.gz OSLDHLPNNGFJNI-OSAQELSMSA-N 0 0 281.371 3.530 20 10 CHCDRN C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1c([O-])cccc1F ZINC000886638122 1125700843 /nfs/dbraw/zinc/70/08/43/1125700843.db2.gz MMNAIRZLBIBAMI-NOZJJQNGSA-N 0 0 273.298 3.617 20 10 CHCDRN Cc1ncc([C@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)s1 ZINC000886645389 1125702762 /nfs/dbraw/zinc/70/27/62/1125702762.db2.gz XYGNABXSFYEDBZ-DTWKUNHWSA-N 0 0 280.368 3.708 20 10 CHCDRN C[C@@H](Nc1cccc(CCCO)c1)c1cc(F)ccc1O ZINC000139029475 1125719657 /nfs/dbraw/zinc/71/96/57/1125719657.db2.gz HQVICFMLWOSAII-GFCCVEGCSA-N 0 0 289.350 3.629 20 10 CHCDRN CN(Cc1ccccc1O)c1nc(C(F)(F)F)cs1 ZINC000089635607 1129243934 /nfs/dbraw/zinc/24/39/34/1129243934.db2.gz AZVFWDHFXBCOSF-UHFFFAOYSA-N 0 0 288.294 3.504 20 10 CHCDRN FC(F)Oc1ccc2c(c1)CCCN2CCC(F)(F)F ZINC000740875297 1129421542 /nfs/dbraw/zinc/42/15/42/1129421542.db2.gz REDHWADZRCJPEY-UHFFFAOYSA-N 0 0 295.251 3.993 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCSC(C)(C)C1)c1c([O-])cccc1F ZINC000903283998 1130146201 /nfs/dbraw/zinc/14/62/01/1130146201.db2.gz UEZKAFYXFHAZLE-GHMZBOCLSA-N 0 0 283.412 3.856 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1cncs1)c1cc(F)cc(F)c1[O-] ZINC000903311057 1130150542 /nfs/dbraw/zinc/15/05/42/1130150542.db2.gz MLGCMNCWRXWPHO-SFYZADRCSA-N 0 0 284.331 3.539 20 10 CHCDRN COc1cccc([C@H](C)[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000158113790 1126746482 /nfs/dbraw/zinc/74/64/82/1126746482.db2.gz WHPOGXSSKOPAKG-NSHDSACASA-N 0 0 291.778 3.905 20 10 CHCDRN CC(C)CO[C@H](C)c1noc(CSc2nccs2)n1 ZINC000174885005 1126774327 /nfs/dbraw/zinc/77/43/27/1126774327.db2.gz VXYFTWSFSBHPKP-SECBINFHSA-N 0 0 299.421 3.552 20 10 CHCDRN CC1(C)C[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1C1CC1 ZINC000811513824 1130620464 /nfs/dbraw/zinc/62/04/64/1130620464.db2.gz RSAQBNWXQSKEKS-AWEZNQCLSA-N 0 0 283.774 3.805 20 10 CHCDRN C[C@@H]([NH2+]CCCCC(F)(F)F)c1ccccc1O ZINC000148808348 1126863685 /nfs/dbraw/zinc/86/36/85/1126863685.db2.gz MBPYWIOKGNWOEY-SNVBAGLBSA-N 0 0 261.287 3.775 20 10 CHCDRN Cc1occc1-c1nnc(NCc2cc(C)c(C)cc2O)o1 ZINC000185861725 1126904335 /nfs/dbraw/zinc/90/43/35/1126904335.db2.gz XEXOKZYXQDTRNS-UHFFFAOYSA-N 0 0 299.330 3.573 20 10 CHCDRN CCOc1ccc(-c2ccc3ccn(C)c3c2)cn1 ZINC001240573964 1126942259 /nfs/dbraw/zinc/94/22/59/1126942259.db2.gz ODMCJZNORWJXMB-UHFFFAOYSA-N 0 0 252.317 3.639 20 10 CHCDRN Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])o1 ZINC000191186048 1126949114 /nfs/dbraw/zinc/94/91/14/1126949114.db2.gz NAGBYIOKOXCMBM-VHSXEESVSA-N 0 0 281.302 3.984 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2nnc(C(C)C)o2)cc1 ZINC000191594469 1126953379 /nfs/dbraw/zinc/95/33/79/1126953379.db2.gz BWKQABOWQIJJJR-UHFFFAOYSA-N 0 0 289.379 3.617 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2noc(C(C)C)n2)cc1 ZINC000191595190 1126953440 /nfs/dbraw/zinc/95/34/40/1126953440.db2.gz VZBVMOMCERESFO-UHFFFAOYSA-N 0 0 289.379 3.617 20 10 CHCDRN CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000191634305 1126953474 /nfs/dbraw/zinc/95/34/74/1126953474.db2.gz DYGQLHZOOLZBRY-YIZRAAEISA-N 0 0 292.206 3.773 20 10 CHCDRN COCCCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192678276 1126962867 /nfs/dbraw/zinc/96/28/67/1126962867.db2.gz ICHVXWNDWLQAEA-VIFPVBQESA-N 0 0 292.206 3.776 20 10 CHCDRN CC[C@@H](C)c1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910951034 1127075179 /nfs/dbraw/zinc/07/51/79/1127075179.db2.gz NUNRNYYUZODESF-GFCCVEGCSA-N 0 0 299.370 3.541 20 10 CHCDRN CC[C@H]1CCC[N@H+](Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236806965 1131012053 /nfs/dbraw/zinc/01/20/53/1131012053.db2.gz LLDJPRFRDYVILC-NSHDSACASA-N 0 0 283.799 3.676 20 10 CHCDRN C[C@@]1(CF)CC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237076942 1131043122 /nfs/dbraw/zinc/04/31/22/1131043122.db2.gz AXNUZIPNHGQRRU-ZDUSSCGKSA-N 0 0 292.181 3.881 20 10 CHCDRN C[C@]1(F)CCCN(Cc2c(O)ccc(F)c2Cl)C1 ZINC001237122855 1131055166 /nfs/dbraw/zinc/05/51/66/1131055166.db2.gz ZSIMGQNZLORADG-ZDUSSCGKSA-N 0 0 275.726 3.509 20 10 CHCDRN Cc1ccncc1/C=C/C(=O)N(CC1CC1)c1ccccc1 ZINC000784064962 1127160102 /nfs/dbraw/zinc/16/01/02/1127160102.db2.gz XMMWZAMOUZBVCB-MDZDMXLPSA-N 0 0 292.382 3.846 20 10 CHCDRN Cc1cc(C)c([C@H](C)[NH2+]CC2(CCO)CCCC2)c(O)c1 ZINC000283900759 1127163039 /nfs/dbraw/zinc/16/30/39/1127163039.db2.gz CXMXUSNMVSEKBC-HNNXBMFYSA-N 0 0 291.435 3.602 20 10 CHCDRN Cc1cc(C)c([C@@H](C)[NH2+]CC2(CCO)CCCC2)c(O)c1 ZINC000283900770 1127163062 /nfs/dbraw/zinc/16/30/62/1127163062.db2.gz CXMXUSNMVSEKBC-OAHLLOKOSA-N 0 0 291.435 3.602 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC001237619684 1131119882 /nfs/dbraw/zinc/11/98/82/1131119882.db2.gz BKPBDBZJHFHJQS-MRVPVSSYSA-N 0 0 297.679 3.569 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000286166530 1127262059 /nfs/dbraw/zinc/26/20/59/1127262059.db2.gz PQEXDFHJZTXYSB-OCCSQVGLSA-N 0 0 281.371 3.530 20 10 CHCDRN CC[C@H]([NH2+]Cc1ccco1)c1cccc(Cl)c1[O-] ZINC000286936127 1127276087 /nfs/dbraw/zinc/27/60/87/1127276087.db2.gz LSJWCFLVRXXRAA-ZDUSSCGKSA-N 0 0 265.740 3.880 20 10 CHCDRN CC[C@@H](N[C@H](C1CC1)C(F)(F)F)c1ccccc1O ZINC000287427319 1127304987 /nfs/dbraw/zinc/30/49/87/1127304987.db2.gz SQYLXIDMXQMGMX-DGCLKSJQSA-N 0 0 273.298 3.774 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cccc(Cl)c1[O-] ZINC000287603182 1127310618 /nfs/dbraw/zinc/31/06/18/1127310618.db2.gz IRWJZCYFLLPKDF-SUNKGSAMSA-N 0 0 283.799 3.654 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)CCOC)c1cccc(Cl)c1[O-] ZINC000287637093 1127311176 /nfs/dbraw/zinc/31/11/76/1127311176.db2.gz KSKKSZQSWLOBGH-GWCFXTLKSA-N 0 0 271.788 3.511 20 10 CHCDRN CCOc1ccc(N(CC)Cc2ncc(C3CC3)o2)cc1 ZINC000760853041 1127311751 /nfs/dbraw/zinc/31/17/51/1127311751.db2.gz AAWHOPACLPJTEB-UHFFFAOYSA-N 0 0 286.375 3.977 20 10 CHCDRN CC[C@H]([NH2+]Cc1cccc(O)c1)c1cccc(Cl)c1[O-] ZINC000287669138 1127312142 /nfs/dbraw/zinc/31/21/42/1127312142.db2.gz MAZHCXBAJVMOJA-HNNXBMFYSA-N 0 0 291.778 3.992 20 10 CHCDRN CN1CCCc2cc(CNc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000058555669 1127359379 /nfs/dbraw/zinc/35/93/79/1127359379.db2.gz FSMYIDGPSJJSBU-UHFFFAOYSA-N 0 0 297.358 3.589 20 10 CHCDRN CCC1(C(=O)N(C)c2ccc(N)cc2)CCCCC1 ZINC000877076921 1127363794 /nfs/dbraw/zinc/36/37/94/1127363794.db2.gz WXZCMDGMGWVBSF-UHFFFAOYSA-N 0 0 260.381 3.592 20 10 CHCDRN COc1ccc(NCc2cccc(Cl)c2O)cc1OC ZINC000158040748 1127416158 /nfs/dbraw/zinc/41/61/58/1127416158.db2.gz XNPIJLPCSSVJEB-UHFFFAOYSA-N 0 0 293.750 3.675 20 10 CHCDRN Nc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000059974165 1127482739 /nfs/dbraw/zinc/48/27/39/1127482739.db2.gz XRNMYYVRCHSUFP-UHFFFAOYSA-N 0 0 295.169 3.757 20 10 CHCDRN COCC1(CC[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CCC1 ZINC000293751804 1127518296 /nfs/dbraw/zinc/51/82/96/1127518296.db2.gz QJXDWYOPLTYKFH-LLVKDONJSA-N 0 0 299.361 3.528 20 10 CHCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1ccco1 ZINC000761221383 1127546904 /nfs/dbraw/zinc/54/69/04/1127546904.db2.gz JSPJTPUAPUDARL-UHFFFAOYSA-N 0 0 279.286 3.834 20 10 CHCDRN CCC(CC)(CC)C(=O)N(C)Cc1ccccc1O ZINC000761234260 1127557769 /nfs/dbraw/zinc/55/77/69/1127557769.db2.gz XKDSAVXGHHZDEB-UHFFFAOYSA-N 0 0 263.381 3.567 20 10 CHCDRN C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC001308975626 1127626142 /nfs/dbraw/zinc/62/61/42/1127626142.db2.gz VWPVKULZVKIYGC-SUNKGSAMSA-N 0 0 267.800 3.960 20 10 CHCDRN CC[C@@H](CC(=O)NCc1ccc(N)cc1)c1ccc(C)cc1 ZINC000297293808 1127693383 /nfs/dbraw/zinc/69/33/83/1127693383.db2.gz UZIIDESPYPJGBY-INIZCTEOSA-N 0 0 296.414 3.777 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccncc2)cc1 ZINC000010628060 1127762015 /nfs/dbraw/zinc/76/20/15/1127762015.db2.gz MYOMYERUIXSMMZ-UHFFFAOYSA-N 0 0 291.354 3.741 20 10 CHCDRN C[C@@H]1CCCC[C@@H]1C(=O)NCCCSc1nccs1 ZINC000819277392 1131241258 /nfs/dbraw/zinc/24/12/58/1131241258.db2.gz JNDOIMDFWVWTKR-NEPJUHHUSA-N 0 0 298.477 3.568 20 10 CHCDRN CN(C)c1ccc(CNc2cccc(C(F)(F)F)n2)cc1 ZINC000063508165 1127839337 /nfs/dbraw/zinc/83/93/37/1127839337.db2.gz VLEALVRATJFTDC-UHFFFAOYSA-N 0 0 295.308 3.779 20 10 CHCDRN COc1ccc(N(C)Cc2cccc(F)c2F)cc1OC ZINC000063617020 1127852136 /nfs/dbraw/zinc/85/21/36/1127852136.db2.gz NAPASHJOPSYHAW-UHFFFAOYSA-N 0 0 293.313 3.618 20 10 CHCDRN Cc1ccccc1[C@@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000784285840 1127958251 /nfs/dbraw/zinc/95/82/51/1127958251.db2.gz FFSYQMXUTCUVEW-CHOZFAJLSA-N 0 0 298.338 3.724 20 10 CHCDRN CC(C)CCc1nnc(NCc2c(O)cccc2Cl)o1 ZINC000777515821 1128098617 /nfs/dbraw/zinc/09/86/17/1128098617.db2.gz PDKBYTJTCXXKFO-UHFFFAOYSA-N 0 0 295.770 3.629 20 10 CHCDRN CCC[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C(C)C ZINC000152374622 1128119021 /nfs/dbraw/zinc/11/90/21/1128119021.db2.gz VYNUYPJWPWEJQR-JSGCOSHPSA-N 0 0 293.407 3.650 20 10 CHCDRN C[C@H](NC(=O)C1=CC(=O)CS1)C(C)(C)c1ccccc1 ZINC000761570595 1128136327 /nfs/dbraw/zinc/13/63/27/1128136327.db2.gz AZNQRRAUGOVIDF-NSHDSACASA-N 0 0 289.400 3.550 20 10 CHCDRN CCOC(=O)CNc1cc2oc3ccccc3c2cc1OC ZINC000153156315 1128186750 /nfs/dbraw/zinc/18/67/50/1128186750.db2.gz OGXPAPYDGWKDBO-UHFFFAOYSA-N 0 0 299.326 3.570 20 10 CHCDRN CCCN(CC)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000914500916 1128199101 /nfs/dbraw/zinc/19/91/01/1128199101.db2.gz ZWXAKMPHOZKWPL-UHFFFAOYSA-N 0 0 284.403 3.966 20 10 CHCDRN CC[C@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1ccc(F)cc1[O-] ZINC000926917210 1128202501 /nfs/dbraw/zinc/20/25/01/1128202501.db2.gz YQWQHKLSTAMEFS-USXIJHARSA-N 0 0 293.382 3.531 20 10 CHCDRN CCN(C(=O)/C=C/c1cccnc1)c1cccc(Cl)c1 ZINC000914522291 1128203029 /nfs/dbraw/zinc/20/30/29/1128203029.db2.gz RSIJBKZNSMSDEJ-CMDGGOBGSA-N 0 0 286.762 3.801 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000926948261 1128205408 /nfs/dbraw/zinc/20/54/08/1128205408.db2.gz JUVRLLTZKUXYKN-VHSKPIJISA-N 0 0 293.716 3.895 20 10 CHCDRN CN(CCCSc1nccs1)c1ccccc1 ZINC000842548387 1128270030 /nfs/dbraw/zinc/27/00/30/1128270030.db2.gz SIKNOYFLMMKLNV-UHFFFAOYSA-N 0 0 264.419 3.762 20 10 CHCDRN CCCc1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000929335152 1128270195 /nfs/dbraw/zinc/27/01/95/1128270195.db2.gz FKOXSNXRRNUDTA-UHFFFAOYSA-N 0 0 296.370 3.892 20 10 CHCDRN Cc1c(CN2CC(F)(F)C[C@H]2CF)c2ccccc2n1C ZINC001138252324 1128280206 /nfs/dbraw/zinc/28/02/06/1128280206.db2.gz CANOTKWYPWSZAB-LBPRGKRZSA-N 0 0 296.336 3.666 20 10 CHCDRN C[C@H]1C[C@@H]1c1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000762256220 1128287216 /nfs/dbraw/zinc/28/72/16/1128287216.db2.gz UBLACLOERUABAX-FZMZJTMJSA-N 0 0 265.316 3.651 20 10 CHCDRN Cc1cc(C(=O)NC[C@@H]2C[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000915290787 1128301106 /nfs/dbraw/zinc/30/11/06/1128301106.db2.gz 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1117745630 /nfs/dbraw/zinc/74/56/30/1117745630.db2.gz YRTUMVLWHCAUTH-RUDMXATFSA-N 0 0 284.334 3.595 20 10 CHCDRN Cc1ccc(NC(=O)[C@H](C)Sc2nccs2)c(F)c1 ZINC000048875821 1128734199 /nfs/dbraw/zinc/73/41/99/1128734199.db2.gz MTELSRZERDSRDL-VIFPVBQESA-N 0 0 296.392 3.710 20 10 CHCDRN COc1ccc(NCc2ccc(N(C)C)cc2)c(F)c1 ZINC000082712214 1117879182 /nfs/dbraw/zinc/87/91/82/1117879182.db2.gz UXDVIKSZEWQUEC-UHFFFAOYSA-N 0 0 274.339 3.512 20 10 CHCDRN CCCCCC(=O)NCc1c(C)c2ccccc2n1C ZINC000471220842 1117994047 /nfs/dbraw/zinc/99/40/47/1117994047.db2.gz ZSBASXIXJRHULO-UHFFFAOYSA-N 0 0 272.392 3.683 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC000471238522 1118013828 /nfs/dbraw/zinc/01/38/28/1118013828.db2.gz UFOAJXXPHUFFHN-AWEZNQCLSA-N 0 0 298.430 3.929 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H]1CCC[C@H]1C ZINC000471240907 1118018783 /nfs/dbraw/zinc/01/87/83/1118018783.db2.gz CWJXRMQLLMIKGA-HIFRSBDPSA-N 0 0 298.430 3.929 20 10 CHCDRN Cc1ncsc1/C=C/C(=O)N1C[C@H](C)c2ccccc21 ZINC000186149556 1118029405 /nfs/dbraw/zinc/02/94/05/1118029405.db2.gz KQIXCERBMYKIOX-AEZGRPFRSA-N 0 0 284.384 3.615 20 10 CHCDRN C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000042411895 1118033180 /nfs/dbraw/zinc/03/31/80/1118033180.db2.gz UUEZLWBSMYDVPM-ZYHUDNBSSA-N 0 0 298.224 3.823 20 10 CHCDRN O=C(NCc1cccc(Cl)c1O)C1CCC2(CC2)CC1 ZINC000890761018 1118077310 /nfs/dbraw/zinc/07/73/10/1118077310.db2.gz ILUBHGHJWJXQAG-UHFFFAOYSA-N 0 0 293.794 3.632 20 10 CHCDRN CC[C@H](C(=O)NCc1ccccc1O)C1CCC(C)CC1 ZINC000764250819 1118079888 /nfs/dbraw/zinc/07/98/88/1118079888.db2.gz ODVKELSKJSULMN-XUJLQICISA-N 0 0 289.419 3.861 20 10 CHCDRN CC1(C)C[N@H+](Cc2cc(F)ccc2O)Cc2ccccc21 ZINC001140059153 1118079891 /nfs/dbraw/zinc/07/98/91/1118079891.db2.gz WCONXVKUPBTXBL-UHFFFAOYSA-N 0 0 285.362 3.825 20 10 CHCDRN CCC(=O)Nc1cccc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209766333 1118089986 /nfs/dbraw/zinc/08/99/86/1118089986.db2.gz OLMJGZORFBOWTM-UHFFFAOYSA-N 0 0 297.358 3.583 20 10 CHCDRN C[C@@H](N[C@@H](C)C(F)(F)F)c1cc(Cl)ccc1O ZINC000806660905 1118109262 /nfs/dbraw/zinc/10/92/62/1118109262.db2.gz RGQLGKMBZSUUNX-RQJHMYQMSA-N 0 0 267.678 3.647 20 10 CHCDRN Clc1cnc(Sc2ncnc3ccsc32)s1 ZINC000764998524 1118128938 /nfs/dbraw/zinc/12/89/38/1118128938.db2.gz FBQSPIRKNSJAPZ-UHFFFAOYSA-N 0 0 285.806 3.952 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)CC(C)C)cc1 ZINC000765000327 1118129888 /nfs/dbraw/zinc/12/98/88/1118129888.db2.gz KFJPPFLEGWJJAT-OAHLLOKOSA-N 0 0 290.451 3.831 20 10 CHCDRN CC[C@H](C)CCCCC(=O)NCc1cc(C)ccc1O ZINC001167293614 1118184608 /nfs/dbraw/zinc/18/46/08/1118184608.db2.gz LIOIXIWQCSEVBM-ZDUSSCGKSA-N 0 0 277.408 3.923 20 10 CHCDRN C[C@H]1CCN(C(=O)/C=C\c2cccnc2)c2ccccc21 ZINC000255079478 1118191427 /nfs/dbraw/zinc/19/14/27/1118191427.db2.gz FQUIXVUPRKABQB-CKXPSTMWSA-N 0 0 278.355 3.635 20 10 CHCDRN CCN(C(=O)/C=C/c1cccnc1)c1cc(C)ccc1C ZINC000075502555 1128762483 /nfs/dbraw/zinc/76/24/83/1128762483.db2.gz UCMAGKLDJWLIKA-MDZDMXLPSA-N 0 0 280.371 3.765 20 10 CHCDRN CC(C)OC1CCC([NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000186160155 1118204307 /nfs/dbraw/zinc/20/43/07/1118204307.db2.gz JHNZFNZFLNEBAU-GRTSSRMGSA-N 0 0 295.398 3.918 20 10 CHCDRN CCCCC[C@@](C)(CC)C(=O)NCc1ccc(O)c(O)c1 ZINC000188781196 1128765004 /nfs/dbraw/zinc/76/50/04/1128765004.db2.gz NBRWSSHSVNYRLD-QGZVFWFLSA-N 0 0 293.407 3.711 20 10 CHCDRN C[C@@H]1CCC[C@H](CCNC(=O)Nc2ccc(N)cc2)C1 ZINC000070549722 1118270162 /nfs/dbraw/zinc/27/01/62/1118270162.db2.gz XTOFJHQTMNSOLX-CHWSQXEVSA-N 0 0 275.396 3.607 20 10 CHCDRN CC[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccccc1O ZINC001648889994 1118271237 /nfs/dbraw/zinc/27/12/37/1118271237.db2.gz VPWITDKOSRTDIM-NFAWXSAZSA-N 0 0 275.392 3.786 20 10 CHCDRN CC[C@H]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccccc1O ZINC001648889993 1118271326 /nfs/dbraw/zinc/27/13/26/1118271326.db2.gz VPWITDKOSRTDIM-IPYPFGDCSA-N 0 0 275.392 3.786 20 10 CHCDRN C[C@H](NC(=O)C1(C)C(C)(C)C1(C)C)c1ccccc1O ZINC001648895006 1118272154 /nfs/dbraw/zinc/27/21/54/1118272154.db2.gz ZFPGBHDKHUGYJZ-NSHDSACASA-N 0 0 275.392 3.642 20 10 CHCDRN CC(C)CN(Cc1cc(F)ccc1O)CC(F)(F)F ZINC000179943562 1128769783 /nfs/dbraw/zinc/76/97/83/1128769783.db2.gz ORDGOENPXBVKRY-UHFFFAOYSA-N 0 0 279.277 3.552 20 10 CHCDRN Cc1cccc(CNc2cccc3cccnc32)c1O ZINC000083478332 1118354843 /nfs/dbraw/zinc/35/48/43/1118354843.db2.gz SXGMYHGURVPDLN-UHFFFAOYSA-N 0 0 264.328 3.861 20 10 CHCDRN CCN1C(=O)/C(=C/c2cc(C)cc(C)c2)SC1=S ZINC000049371744 1118427785 /nfs/dbraw/zinc/42/77/85/1118427785.db2.gz NZHHWQCXNKPUBJ-WQLSENKSSA-N 0 0 277.414 3.525 20 10 CHCDRN CSc1ccc([C@@H](C)NC(=O)C2=CC(=O)CS2)cc1 ZINC000799199356 1128781034 /nfs/dbraw/zinc/78/10/34/1128781034.db2.gz YAOISAIQJDYVHS-SECBINFHSA-N 0 0 293.413 3.667 20 10 CHCDRN CN(c1ccc(N)cc1)c1ccc(Cl)nc1Cl ZINC001211278126 1118496823 /nfs/dbraw/zinc/49/68/23/1118496823.db2.gz SLAKNOFWMXSZBU-UHFFFAOYSA-N 0 0 268.147 3.739 20 10 CHCDRN Cc1cccnc1NCc1ccc(N2CCCCC2)cc1 ZINC000121261539 1118527082 /nfs/dbraw/zinc/52/70/82/1118527082.db2.gz FQLHUCDKQKBQQM-UHFFFAOYSA-N 0 0 281.403 3.992 20 10 CHCDRN C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140466059 1118745757 /nfs/dbraw/zinc/74/57/57/1118745757.db2.gz VRGCEIYQVAELLU-GFCCVEGCSA-N 0 0 287.790 3.992 20 10 CHCDRN CC(C)(C)OCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000308719771 1118818463 /nfs/dbraw/zinc/81/84/63/1118818463.db2.gz CNVQMDHYQDPYAC-UHFFFAOYSA-N 0 0 292.206 3.604 20 10 CHCDRN CCN(C(=O)/C=C\c1cnc(C)s1)c1ccccc1C ZINC000255431140 1118926261 /nfs/dbraw/zinc/92/62/61/1118926261.db2.gz SMKUIILROGSIMD-KTKRTIGZSA-N 0 0 286.400 3.826 20 10 CHCDRN Cc1cccc(C(C)(C)[NH2+]Cc2cc(F)ccc2O)c1 ZINC000180782636 1128811044 /nfs/dbraw/zinc/81/10/44/1128811044.db2.gz WXRDQXFJWMMDRI-UHFFFAOYSA-N 0 0 273.351 3.865 20 10 CHCDRN C/C(=C/C(C)(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000588497430 1119003917 /nfs/dbraw/zinc/00/39/17/1119003917.db2.gz VDPKGJFYTJKZPX-BENRWUELSA-N 0 0 292.398 3.500 20 10 CHCDRN Cc1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000051574158 1119047612 /nfs/dbraw/zinc/04/76/12/1119047612.db2.gz MNTJGWNVHHHMMZ-UHFFFAOYSA-N 0 0 297.185 3.692 20 10 CHCDRN CCc1noc(C)c1CN(C)c1ccc(OC)c(Cl)c1 ZINC000121934521 1119222069 /nfs/dbraw/zinc/22/20/69/1119222069.db2.gz DROHGWSXYWSNBX-UHFFFAOYSA-N 0 0 294.782 3.844 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)/C=C/Sc1ccccc1 ZINC000178708458 1119257679 /nfs/dbraw/zinc/25/76/79/1119257679.db2.gz AJUXVELLANPNLX-VAWYXSNFSA-N 0 0 299.395 3.657 20 10 CHCDRN CCOc1ccc(O)c(CNc2cnc3c(c2)CCCC3)c1 ZINC000782387350 1119287547 /nfs/dbraw/zinc/28/75/47/1119287547.db2.gz YICCZINJEIJILY-UHFFFAOYSA-N 0 0 298.386 3.677 20 10 CHCDRN C/C=C(/CC)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000588575243 1119339474 /nfs/dbraw/zinc/33/94/74/1119339474.db2.gz SLDAYAHGDJULBS-BNNQUZSASA-N 0 0 299.370 3.870 20 10 CHCDRN C[C@H](Nc1cnn([C@@H](C)C2CC2)c1)c1ccc(F)cc1O ZINC000187629512 1119398621 /nfs/dbraw/zinc/39/86/21/1119398621.db2.gz YJMHWGIGLZTVSZ-QWRGUYRKSA-N 0 0 289.354 3.872 20 10 CHCDRN Cc1cccc(CNc2ccc(N(C)C)cc2C)c1O ZINC000158038696 1119430620 /nfs/dbraw/zinc/43/06/20/1119430620.db2.gz WTBIRPSYLVQNCX-UHFFFAOYSA-N 0 0 270.376 3.687 20 10 CHCDRN CC(C)(C)C[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC000708424111 1119450637 /nfs/dbraw/zinc/45/06/37/1119450637.db2.gz WUASTDNOGNCRAC-NSHDSACASA-N 0 0 283.362 3.929 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH+]1CCC2(CCCC2)CC1 ZINC000708424675 1119450693 /nfs/dbraw/zinc/45/06/93/1119450693.db2.gz ZIVZSLPIRFNIDL-UHFFFAOYSA-N 0 0 281.346 3.827 20 10 CHCDRN C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@H]1C ZINC000252767030 1119483809 /nfs/dbraw/zinc/48/38/09/1119483809.db2.gz HXHITVSDKWGOEQ-UHIISALHSA-N 0 0 267.800 3.960 20 10 CHCDRN CC(C)Cc1ccccc1CNC(=O)C1=CC(=O)CS1 ZINC001167675430 1119520772 /nfs/dbraw/zinc/52/07/72/1119520772.db2.gz TXUZZFGBHAJKQF-UHFFFAOYSA-N 0 0 289.400 3.582 20 10 CHCDRN CCc1cc2c(ncnc2N(C)Cc2ccccc2O)s1 ZINC000089635718 1119540636 /nfs/dbraw/zinc/54/06/36/1119540636.db2.gz REDPSEOCHMGEGN-UHFFFAOYSA-N 0 0 299.399 3.596 20 10 CHCDRN CO[C@@H](CSc1ncc(Cl)s1)C1CCC1 ZINC000850001947 1119612554 /nfs/dbraw/zinc/61/25/54/1119612554.db2.gz PRLZGMJCFCZWRJ-QMMMGPOBSA-N 0 0 263.815 3.704 20 10 CHCDRN Cc1ccc(C(=O)Nc2cc(Cl)ccc2C)c(O)c1O ZINC000179386455 1119733514 /nfs/dbraw/zinc/73/35/14/1119733514.db2.gz ISMZCASUBHLYIU-UHFFFAOYSA-N 0 0 291.734 3.620 20 10 CHCDRN Cc1c2cc(OC[C@H]3CCCOC3)ccc2n(C)c1C ZINC000570152822 1119805131 /nfs/dbraw/zinc/80/51/31/1119805131.db2.gz HCETXAJJIGKNBP-AWEZNQCLSA-N 0 0 273.376 3.601 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000694321416 1119847804 /nfs/dbraw/zinc/84/78/04/1119847804.db2.gz DDWVHHMOTHNQJJ-GMXVVIOVSA-N 0 0 265.784 3.571 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C)nc1 ZINC000161770781 1119981592 /nfs/dbraw/zinc/98/15/92/1119981592.db2.gz MQQLNZXWUVXFCX-UHFFFAOYSA-N 0 0 299.374 3.540 20 10 CHCDRN Cc1cc(O)c(CNc2nc3ccccc3o2)cc1C ZINC000181504516 1128885091 /nfs/dbraw/zinc/88/50/91/1128885091.db2.gz QYYGUTJXSIEXHD-UHFFFAOYSA-N 0 0 268.316 3.762 20 10 CHCDRN CC(C)(C)c1cnc(SCc2nnc(C3CC3)o2)s1 ZINC000164126585 1120028589 /nfs/dbraw/zinc/02/85/89/1120028589.db2.gz QJMQXDLHZGNEFE-UHFFFAOYSA-N 0 0 295.433 3.993 20 10 CHCDRN O=C(Nc1cccc2ccc(O)cc21)C1=CC(=O)CS1 ZINC000782850766 1120032242 /nfs/dbraw/zinc/03/22/42/1120032242.db2.gz CFWRWXGKUNRVDQ-UHFFFAOYSA-N 0 0 285.324 3.565 20 10 CHCDRN CC[C@H]([NH2+]Cc1cc(F)ccc1F)c1ccccc1O ZINC000107929057 1120062576 /nfs/dbraw/zinc/06/25/76/1120062576.db2.gz OAHXSUXNJSRWRO-HNNXBMFYSA-N 0 0 277.314 3.911 20 10 CHCDRN Cc1cc(O)c(CNc2nnc(C(C)(C)C)s2)cc1C ZINC000181591253 1128890771 /nfs/dbraw/zinc/89/07/71/1128890771.db2.gz VLJGYMQRFGUSPR-UHFFFAOYSA-N 0 0 291.420 3.770 20 10 CHCDRN C[C@H]([NH2+][C@H]1CC2CCC1CC2)c1ccc(F)cc1[O-] ZINC000311847007 1120113254 /nfs/dbraw/zinc/11/32/54/1120113254.db2.gz ILKOZAQZFKUGPM-QZLRTXKQSA-N 0 0 263.356 3.761 20 10 CHCDRN C[C@@H](Nc1ccc2c(c1)CCCO2)c1ccccc1O ZINC000183692644 1120139001 /nfs/dbraw/zinc/13/90/01/1120139001.db2.gz XGROVWRMVNYIKZ-GFCCVEGCSA-N 0 0 269.344 3.890 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccc(F)cc1[O-] ZINC000186499755 1120241188 /nfs/dbraw/zinc/24/11/88/1120241188.db2.gz NSSAOMDIZMQTOJ-IINYFYTJSA-N 0 0 281.371 3.528 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNc1cc2cc[nH]c2cn1 ZINC000672270895 1120272415 /nfs/dbraw/zinc/27/24/15/1120272415.db2.gz KCLVNRUBSLQMDE-UHFFFAOYSA-N 0 0 290.370 3.975 20 10 CHCDRN CCCN(CCC)c1ccc(CNc2nnc(C)o2)cc1 ZINC000181493361 1120298146 /nfs/dbraw/zinc/29/81/46/1120298146.db2.gz UOHHJEMQQGWRIJ-UHFFFAOYSA-N 0 0 288.395 3.617 20 10 CHCDRN Oc1ccccc1CN[C@@H](CCc1ccccc1)C(F)F ZINC000779401297 1128910115 /nfs/dbraw/zinc/91/01/15/1128910115.db2.gz SUUUBUNWPHOZPM-HNNXBMFYSA-N 0 0 291.341 3.748 20 10 CHCDRN CCOC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CCCC1 ZINC000312443215 1120425029 /nfs/dbraw/zinc/42/50/29/1120425029.db2.gz USDAFBCKRFTIRK-GFCCVEGCSA-N 0 0 281.371 3.531 20 10 CHCDRN Cc1cc2c(cc1N[C@@H](C)c1cc(F)ccc1O)OCO2 ZINC000186517382 1120462327 /nfs/dbraw/zinc/46/23/27/1120462327.db2.gz CULWTRZPELCXFO-JTQLQIEISA-N 0 0 289.306 3.742 20 10 CHCDRN Cc1ccc(NCc2ccc(N(C)C)cc2)cc1F ZINC000019955613 1120551281 /nfs/dbraw/zinc/55/12/81/1120551281.db2.gz KICQJNLOITULTA-UHFFFAOYSA-N 0 0 258.340 3.812 20 10 CHCDRN FC1(F)CCC[C@H]1NCc1ccc(N2CCCC2)cc1 ZINC000398023385 1120557161 /nfs/dbraw/zinc/55/71/61/1120557161.db2.gz BCCQIHISKNRZSW-OAHLLOKOSA-N 0 0 280.362 3.564 20 10 CHCDRN C[C@H]([NH2+]C[C@@H](C)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756582955 1120562467 /nfs/dbraw/zinc/56/24/67/1120562467.db2.gz LXRJDCTYIAIGBZ-MNOVXSKESA-N 0 0 280.368 3.633 20 10 CHCDRN C[C@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccc(F)cc1[O-] ZINC000857082338 1120628772 /nfs/dbraw/zinc/62/87/72/1120628772.db2.gz MUBCFYKZHMIDPT-DTWKUNHWSA-N 0 0 292.181 3.766 20 10 CHCDRN COc1ccc(NCc2c(O)cccc2Cl)cc1OC ZINC000093232498 1120741432 /nfs/dbraw/zinc/74/14/32/1120741432.db2.gz ZLRHCKJKUMOGII-UHFFFAOYSA-N 0 0 293.750 3.675 20 10 CHCDRN CC[C@H]([NH2+]C[C@]1(C)CCCS1)c1ccc(F)cc1[O-] ZINC000796797982 1120776430 /nfs/dbraw/zinc/77/64/30/1120776430.db2.gz XJIVNJYUPUHDAY-ZFWWWQNUSA-N 0 0 283.412 3.858 20 10 CHCDRN Cc1cc(Cl)ncc1NCc1ccc(N(C)C)cc1 ZINC000311965385 1120977402 /nfs/dbraw/zinc/97/74/02/1120977402.db2.gz PTCPLUZSULLGAP-UHFFFAOYSA-N 0 0 275.783 3.722 20 10 CHCDRN Cc1cc(N(Cc2ccccc2)c2ccc(N)cc2)n(C)n1 ZINC001174831377 1121050395 /nfs/dbraw/zinc/05/03/95/1121050395.db2.gz STSWGNXIOGEPFD-UHFFFAOYSA-N 0 0 292.386 3.649 20 10 CHCDRN CCCCN(CCCC)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779496860 1128960444 /nfs/dbraw/zinc/96/04/44/1128960444.db2.gz MDZVVHQWZWVHBO-NTMALXAHSA-N 0 0 291.391 3.540 20 10 CHCDRN CCCC[C@H](CCC)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779529898 1128967590 /nfs/dbraw/zinc/96/75/90/1128967590.db2.gz QLXUIVJZXFOJML-MARXPDLDSA-N 0 0 291.391 3.586 20 10 CHCDRN C[C@@H]1C[N@H+](Cc2c([O-])cccc2F)Cc2ccccc21 ZINC001137831935 1121180366 /nfs/dbraw/zinc/18/03/66/1121180366.db2.gz TXOFFGPJYUIGKA-GFCCVEGCSA-N 0 0 271.335 3.651 20 10 CHCDRN Nc1ccc(Cc2ccc(Nc3ccncc3F)cc2)cc1 ZINC001175200720 1121206478 /nfs/dbraw/zinc/20/64/78/1121206478.db2.gz NOBPNPWNALTLTI-UHFFFAOYSA-N 0 0 293.345 3.559 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H](CC(C)C)N(C)C)c1ccc(F)cc1[O-] ZINC000796686542 1121217335 /nfs/dbraw/zinc/21/73/35/1121217335.db2.gz YXEBGYAKFJXPFV-GOEBONIOSA-N 0 0 296.430 3.548 20 10 CHCDRN CCOc1cc(N(C)c2ccc(N)cc2)c(F)cc1F ZINC001212532451 1121238709 /nfs/dbraw/zinc/23/87/09/1121238709.db2.gz DCIQFWYZZJKFDX-UHFFFAOYSA-N 0 0 278.302 3.714 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccc1 ZINC000703260833 1121241093 /nfs/dbraw/zinc/24/10/93/1121241093.db2.gz LJLSQTFNDINVQA-CQSZACIVSA-N 0 0 277.314 3.911 20 10 CHCDRN CCc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC000779546963 1128977555 /nfs/dbraw/zinc/97/75/55/1128977555.db2.gz GRABJZUPMJNVMP-WEVVVXLNSA-N 0 0 297.354 3.621 20 10 CHCDRN Cc1ncccc1CN(C)Cc1c(O)ccc(F)c1Cl ZINC001237130998 1128984490 /nfs/dbraw/zinc/98/44/90/1128984490.db2.gz SAHKTUKAGWGGFS-UHFFFAOYSA-N 0 0 294.757 3.520 20 10 CHCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CCCC12CC2 ZINC000706937169 1121446094 /nfs/dbraw/zinc/44/60/94/1121446094.db2.gz TWHWGJFBGKLXAR-GFCCVEGCSA-N 0 0 296.208 3.577 20 10 CHCDRN Cc1ccnc(N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000182638603 1128990278 /nfs/dbraw/zinc/99/02/78/1128990278.db2.gz YTYRBQRDAHMBPU-ZDUSSCGKSA-N 0 0 255.365 3.629 20 10 CHCDRN C[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000708600470 1121468567 /nfs/dbraw/zinc/46/85/67/1121468567.db2.gz KUJYIURAKLBBQX-LBPRGKRZSA-N 0 0 293.716 3.820 20 10 CHCDRN CC1(C)C[C@H](C[NH2+]Cc2cccc(Cl)c2[O-])C(C)(C)O1 ZINC000709705347 1121469575 /nfs/dbraw/zinc/46/95/75/1121469575.db2.gz MLCJWGMYQFRKQS-GFCCVEGCSA-N 0 0 297.826 3.729 20 10 CHCDRN Nc1ccc(N(c2ccccc2)c2ccc(=O)[nH]c2)cc1 ZINC001176131907 1121546833 /nfs/dbraw/zinc/54/68/33/1121546833.db2.gz IOVFFJRXVNXUKH-UHFFFAOYSA-N 0 0 277.327 3.839 20 10 CHCDRN C[C@@H]1CCC[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC001177240681 1121719222 /nfs/dbraw/zinc/71/92/22/1121719222.db2.gz QIUVQUGCTDJPKI-ZJUUUORDSA-N 0 0 271.763 3.853 20 10 CHCDRN Cc1cc(C(=O)NC(C)(C)C(C)C)c(C)n1-c1ccccn1 ZINC000728030603 1121760528 /nfs/dbraw/zinc/76/05/28/1121760528.db2.gz HISXFPGRIIMPKK-UHFFFAOYSA-N 0 0 299.418 3.654 20 10 CHCDRN COc1cc(C)c(NCc2cc(F)cc(F)c2O)cc1F ZINC001178514168 1121792313 /nfs/dbraw/zinc/79/23/13/1121792313.db2.gz SYVKHEZEODRGOY-UHFFFAOYSA-N 0 0 297.276 3.739 20 10 CHCDRN Cc1cc(Br)cc([C@H](C)[NH2+][C@H]2CC[C@H]2C)c1O ZINC000797127926 1121845484 /nfs/dbraw/zinc/84/54/84/1121845484.db2.gz HOGHVZRBVGBDAM-DVYJOKAKSA-N 0 0 298.224 3.912 20 10 CHCDRN CC1(C)CCc2cc(C[NH2+]Cc3ccccc3O)ccc2O1 ZINC000731678502 1121880397 /nfs/dbraw/zinc/88/03/97/1121880397.db2.gz NNXKLNPQOCSVOQ-UHFFFAOYSA-N 0 0 297.398 3.786 20 10 CHCDRN CC(C)(C)c1ccc(O)c(NC(=O)C2=CC(=O)CS2)c1 ZINC000731866713 1121890600 /nfs/dbraw/zinc/89/06/00/1121890600.db2.gz WHTXXQFTGRRAOA-UHFFFAOYSA-N 0 0 291.372 3.709 20 10 CHCDRN Cc1c(Cl)cccc1NC(=O)C1=CC(=O)CS1 ZINC000731867593 1121891271 /nfs/dbraw/zinc/89/12/71/1121891271.db2.gz NLULRVQSXCKCNQ-UHFFFAOYSA-N 0 0 267.737 3.668 20 10 CHCDRN Cc1cccc([C@H]2CCCN2C(=O)C2=CC(=O)CS2)c1 ZINC000732274844 1121915026 /nfs/dbraw/zinc/91/50/26/1121915026.db2.gz BCEIXVNSDJNFAI-CQSZACIVSA-N 0 0 287.384 3.739 20 10 CHCDRN CC[C@H]1c2ccsc2CCN1C(=O)C1=CC(=O)CS1 ZINC000732287149 1121915894 /nfs/dbraw/zinc/91/58/94/1121915894.db2.gz QNHZILROEXLYQO-NSHDSACASA-N 0 0 293.413 3.665 20 10 CHCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)c1ccc(F)c(F)c1 ZINC000732353729 1121917529 /nfs/dbraw/zinc/91/75/29/1121917529.db2.gz TUMSSVFVVSENHT-SSDOTTSWSA-N 0 0 284.283 3.650 20 10 CHCDRN C[C@H](OC(=O)C1=CC(=O)CS1)c1cccc(F)c1 ZINC000732354106 1121918507 /nfs/dbraw/zinc/91/85/07/1121918507.db2.gz OVXBIEIEDKFYFF-QMMMGPOBSA-N 0 0 266.293 3.511 20 10 CHCDRN CC(C)[C@@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000733141680 1121963605 /nfs/dbraw/zinc/96/36/05/1121963605.db2.gz FTQZCPANGRNXFL-OAHLLOKOSA-N 0 0 288.435 3.585 20 10 CHCDRN CCC[C@@H](C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000733142029 1121963773 /nfs/dbraw/zinc/96/37/73/1121963773.db2.gz NLWQPAMKBASBSQ-OAHLLOKOSA-N 0 0 288.435 3.729 20 10 CHCDRN Cc1ccc(CNc2c(C)cc(N(C)C)cc2C)c(O)c1 ZINC001180602301 1122002645 /nfs/dbraw/zinc/00/26/45/1122002645.db2.gz GZVSHIAFTYMGON-UHFFFAOYSA-N 0 0 284.403 3.996 20 10 CHCDRN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)CC2)c1[O-] ZINC000110806793 1122003102 /nfs/dbraw/zinc/00/31/02/1122003102.db2.gz YLOBDYLFXFVYRK-LLVKDONJSA-N 0 0 295.810 3.870 20 10 CHCDRN COC1(CN2CCCc3cc(OC(F)F)ccc32)CCC1 ZINC001180666408 1122007856 /nfs/dbraw/zinc/00/78/56/1122007856.db2.gz ZADVTDXDDGZNJB-UHFFFAOYSA-N 0 0 297.345 3.610 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817548367 1122081945 /nfs/dbraw/zinc/08/19/45/1122081945.db2.gz ZVTMVLALLBOXFZ-IIAWOOMASA-N 0 0 287.403 3.567 20 10 CHCDRN Cc1cc(O)c(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1Cl ZINC001181860866 1122087456 /nfs/dbraw/zinc/08/74/56/1122087456.db2.gz OZVPETLKYDXMCH-BETUJISGSA-N 0 0 279.811 3.976 20 10 CHCDRN C[C@H](NCc1ccon1)c1cc(Cl)c(Cl)cc1O ZINC000774211435 1122141368 /nfs/dbraw/zinc/14/13/68/1122141368.db2.gz WXORHTBEKINLOS-ZETCQYMHSA-N 0 0 287.146 3.538 20 10 CHCDRN CSc1ccc(N[C@@H](C)c2cc(C)ccc2O)nc1 ZINC000273498459 1122236111 /nfs/dbraw/zinc/23/61/11/1122236111.db2.gz PQZOUYJSBCOYLJ-NSHDSACASA-N 0 0 274.389 3.991 20 10 CHCDRN CC(C)Cn1cc(N[C@@H](C)c2ccc(F)cc2O)cn1 ZINC000273510197 1122236357 /nfs/dbraw/zinc/23/63/57/1122236357.db2.gz RMGQKNUYRYYXDZ-NSHDSACASA-N 0 0 277.343 3.557 20 10 CHCDRN CCN(CC)c1ccc(CNc2cc(C3CC3)ncn2)cc1 ZINC001184927783 1122302943 /nfs/dbraw/zinc/30/29/43/1122302943.db2.gz PRXVUILEYJMPNK-UHFFFAOYSA-N 0 0 296.418 3.812 20 10 CHCDRN Cc1cc(N2CCOCC2)ccc1CCCC(F)(F)F ZINC001250224646 1122368753 /nfs/dbraw/zinc/36/87/53/1122368753.db2.gz BDYPRORHOABLSA-UHFFFAOYSA-N 0 0 287.325 3.717 20 10 CHCDRN C[C@@H](Nc1nc(Cl)cs1)c1ccccc1O ZINC001187334259 1122426045 /nfs/dbraw/zinc/42/60/45/1122426045.db2.gz TWLWTSYBCBIFDA-SSDOTTSWSA-N 0 0 254.742 3.675 20 10 CHCDRN CC(C)(C)[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000775202066 1122478782 /nfs/dbraw/zinc/47/87/82/1122478782.db2.gz 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CN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)SC1=S ZINC000002307709 1122802120 /nfs/dbraw/zinc/80/21/20/1122802120.db2.gz ATZPBFUXYZGBFF-FMIVXFBMSA-N 0 0 291.441 3.815 20 10 CHCDRN CC(C)CCOC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001194892396 1122824433 /nfs/dbraw/zinc/82/44/33/1122824433.db2.gz RIWQNZMYUKPXGH-ZDUSSCGKSA-N 0 0 278.396 3.586 20 10 CHCDRN CCN(Cc1ncc(Cl)s1)c1ccc(OC)cc1 ZINC000775624123 1122827064 /nfs/dbraw/zinc/82/70/64/1122827064.db2.gz RUPRDGVVCMLHBF-UHFFFAOYSA-N 0 0 282.796 3.832 20 10 CHCDRN C[N@H+](Cc1ccsc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775644533 1122855513 /nfs/dbraw/zinc/85/55/13/1122855513.db2.gz NJYLQRSFPORCEF-UHFFFAOYSA-N 0 0 285.771 3.878 20 10 CHCDRN CCN(C)C(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195254819 1122858040 /nfs/dbraw/zinc/85/80/40/1122858040.db2.gz MRWWJQIRYFMRPS-ISLYRVAYSA-N 0 0 283.331 3.900 20 10 CHCDRN COCCOc1ccccc1N[C@H](C)c1ccccc1O ZINC000183686098 1129082828 /nfs/dbraw/zinc/08/28/28/1129082828.db2.gz PXPYUGJTQRAHRQ-CYBMUJFWSA-N 0 0 287.359 3.591 20 10 CHCDRN CC(C)[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000775653471 1122868619 /nfs/dbraw/zinc/86/86/19/1122868619.db2.gz HPFXWKIVZGMRRZ-UHFFFAOYSA-N 0 0 257.736 3.558 20 10 CHCDRN CC(C)Oc1ncccc1NCc1ccc(N(C)C)cc1 ZINC000048761231 1122880200 /nfs/dbraw/zinc/88/02/00/1122880200.db2.gz JUMDNDOSKWBJQU-UHFFFAOYSA-N 0 0 285.391 3.547 20 10 CHCDRN Cc1cccc(C[N@@H+](C)Cc2cc(Cl)cc(C)c2O)n1 ZINC000775716313 1122922172 /nfs/dbraw/zinc/92/21/72/1122922172.db2.gz TXQCHFDOJBDHNG-UHFFFAOYSA-N 0 0 290.794 3.689 20 10 CHCDRN C[C@@H]1CC[C@@H](C)[NH+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775736562 1122928689 /nfs/dbraw/zinc/92/86/89/1122928689.db2.gz ALUOMEYSUWGBKO-RKDXNWHRSA-N 0 0 257.736 3.558 20 10 CHCDRN COc1cc(O)c(CNc2ccc(C)cc2C)cc1OC ZINC000775750882 1122941337 /nfs/dbraw/zinc/94/13/37/1122941337.db2.gz XCVNLAACWQWQBP-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN Cc1ccccc1NC(=O)NCc1cccc(Cl)c1O ZINC001197457405 1122958131 /nfs/dbraw/zinc/95/81/31/1122958131.db2.gz DBSDKUKLJHXELO-UHFFFAOYSA-N 0 0 290.750 3.676 20 10 CHCDRN Cc1ccc(NC(=S)N[C@@H](C)c2ccccc2O)cc1 ZINC001197945208 1122975776 /nfs/dbraw/zinc/97/57/76/1122975776.db2.gz UVQOQJHYLXHJDT-LBPRGKRZSA-N 0 0 286.400 3.748 20 10 CHCDRN C[C@@H](NC/C(Cl)=C\Cl)c1ccc(N(C)C)cc1 ZINC000775830484 1122984867 /nfs/dbraw/zinc/98/48/67/1122984867.db2.gz KAONJBUKQIHSOM-ZDIKFAODSA-N 0 0 273.207 3.722 20 10 CHCDRN C[C@@H](NC(=O)CC1CC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000794431429 1122993323 /nfs/dbraw/zinc/99/33/23/1122993323.db2.gz BAAWOSRLWXPKQY-CYBMUJFWSA-N 0 0 288.435 3.756 20 10 CHCDRN COc1ccc(C(=O)c2ccccc2Nc2cnoc2)cc1 ZINC001203244740 1123021266 /nfs/dbraw/zinc/02/12/66/1123021266.db2.gz CUQZVOKERPSOPY-UHFFFAOYSA-N 0 0 294.310 3.658 20 10 CHCDRN CCC1CCC(N(C)C(=O)Nc2ccc(N)cc2)CC1 ZINC000049025046 1123057223 /nfs/dbraw/zinc/05/72/23/1123057223.db2.gz WUOBSTHITDOEBK-UHFFFAOYSA-N 0 0 275.396 3.701 20 10 CHCDRN COc1nccc(Nc2ccc(NC(C)C)cc2)c1F ZINC001201490608 1123109601 /nfs/dbraw/zinc/10/96/01/1123109601.db2.gz HSFJNMRKJPQAGS-UHFFFAOYSA-N 0 0 275.327 3.793 20 10 CHCDRN COc1cc(N)ccc1Nc1ccc(NC(C)C)cc1 ZINC001201498140 1123111179 /nfs/dbraw/zinc/11/11/79/1123111179.db2.gz UEPWEFODDTYDQT-UHFFFAOYSA-N 0 0 271.364 3.841 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc3c(c2)N(C)C(=O)C3)cc1 ZINC001201498225 1123111400 /nfs/dbraw/zinc/11/14/00/1123111400.db2.gz VSPUUHHZYJVSSR-UHFFFAOYSA-N 0 0 295.386 3.769 20 10 CHCDRN COc1cccc(CO)c1Nc1ccc(NC(C)C)cc1 ZINC001201498710 1123111441 /nfs/dbraw/zinc/11/14/41/1123111441.db2.gz CWBXRYWCDXZKEY-UHFFFAOYSA-N 0 0 286.375 3.751 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccccc2CO)cc1 ZINC001201498236 1123111557 /nfs/dbraw/zinc/11/15/57/1123111557.db2.gz SVDDCSUQZKPHLX-UHFFFAOYSA-N 0 0 256.349 3.743 20 10 CHCDRN CCN(CC)c1ccc(CNc2cncc(C)c2)cc1F ZINC001201581328 1123127283 /nfs/dbraw/zinc/12/72/83/1123127283.db2.gz ZIRAIBYBYOCYPG-UHFFFAOYSA-N 0 0 287.382 3.987 20 10 CHCDRN Cc1cncc(NC/C=C/c2ccc(N(C)C)cc2)c1 ZINC001201579684 1123127684 /nfs/dbraw/zinc/12/76/84/1123127684.db2.gz HDAQJNFZBGOOPY-SNAWJCMRSA-N 0 0 267.376 3.581 20 10 CHCDRN CCc1cccnc1NCc1cc(F)c(N(C)C)cc1F ZINC001201586933 1123128552 /nfs/dbraw/zinc/12/85/52/1123128552.db2.gz IVIBCRLDGLZEDC-UHFFFAOYSA-N 0 0 291.345 3.600 20 10 CHCDRN CC(C)(CNC(=O)C1=CC(=O)CS1)C1=CCCCC1 ZINC000776247778 1123178743 /nfs/dbraw/zinc/17/87/43/1123178743.db2.gz WYLIXOQFDNTUJI-UHFFFAOYSA-N 0 0 279.405 3.710 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1c(F)cccc1F ZINC000776247968 1123178807 /nfs/dbraw/zinc/17/88/07/1123178807.db2.gz HKTXOQOMWJPRDI-UHFFFAOYSA-N 0 0 283.705 3.614 20 10 CHCDRN CC(C)(C)c1cccc(NC(=O)C2=CC(=O)CS2)c1O ZINC000776269500 1123195242 /nfs/dbraw/zinc/19/52/42/1123195242.db2.gz DHRHVULIBQOOGP-UHFFFAOYSA-N 0 0 291.372 3.709 20 10 CHCDRN CC(C)c1ccccc1NCCc1cc(O)c(O)cc1O ZINC001168005688 1123199886 /nfs/dbraw/zinc/19/98/86/1123199886.db2.gz MBSAWQAGEGZMEE-UHFFFAOYSA-N 0 0 287.359 3.581 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cccc(F)c1[O-])c1ccccc1 ZINC000158752456 1123205079 /nfs/dbraw/zinc/20/50/79/1123205079.db2.gz BNVDXPNXVKTTRX-OAHLLOKOSA-N 0 0 259.324 3.772 20 10 CHCDRN Cc1ccc(NC(=O)NCc2c(C)cc(C)cc2O)cc1 ZINC001202437565 1123208181 /nfs/dbraw/zinc/20/81/81/1123208181.db2.gz BQOWJUPXFPMUOZ-UHFFFAOYSA-N 0 0 284.359 3.639 20 10 CHCDRN Cc1nc(CSc2ncc(Cl)s2)oc1C ZINC000849999834 1123236132 /nfs/dbraw/zinc/23/61/32/1123236132.db2.gz ZQRCOLSTEYZKNJ-UHFFFAOYSA-N 0 0 260.771 3.694 20 10 CHCDRN Cc1cnc(CSc2ncc(Cl)s2)s1 ZINC000850000489 1123236820 /nfs/dbraw/zinc/23/68/20/1123236820.db2.gz WSKZHDKXTVIMNS-UHFFFAOYSA-N 0 0 262.812 3.854 20 10 CHCDRN C[C@H]([NH2+]CC(C)(C)C(C)(F)F)c1ccc(F)cc1[O-] ZINC000696623620 1123246276 /nfs/dbraw/zinc/24/62/76/1123246276.db2.gz ZETZANKPUFEINF-VIFPVBQESA-N 0 0 275.314 3.863 20 10 CHCDRN Cc1ccc(NC(=S)NCc2ccc(N(C)C)cc2)cc1 ZINC000007371526 1123254858 /nfs/dbraw/zinc/25/48/58/1123254858.db2.gz JWYDHZNXAHAOEJ-UHFFFAOYSA-N 0 0 299.443 3.548 20 10 CHCDRN COc1cccc(CNc2cc(C)c(C)cc2OC)c1O ZINC000850354195 1123254890 /nfs/dbraw/zinc/25/48/90/1123254890.db2.gz XUXBNJATGWHGCC-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1cccc(Cl)c1[O-] ZINC000850483280 1123274564 /nfs/dbraw/zinc/27/45/64/1123274564.db2.gz VVOIDWFAXVDDEQ-GWCFXTLKSA-N 0 0 283.799 3.654 20 10 CHCDRN C[C@@H]([NH2+]CCCOC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000850524586 1123280755 /nfs/dbraw/zinc/28/07/55/1123280755.db2.gz COKGCKODLVKMRF-LLVKDONJSA-N 0 0 285.815 3.901 20 10 CHCDRN C[C@@H](CNC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000850751073 1123299952 /nfs/dbraw/zinc/29/99/52/1123299952.db2.gz UDZUWNZGKCBOGZ-LBPRGKRZSA-N 0 0 275.396 3.607 20 10 CHCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1ccccn1 ZINC000020123563 1123361769 /nfs/dbraw/zinc/36/17/69/1123361769.db2.gz WAXKHDLXFXCLOP-VIFPVBQESA-N 0 0 297.185 3.945 20 10 CHCDRN Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2ccc(N)cc2)cc1C ZINC000851633558 1123371619 /nfs/dbraw/zinc/37/16/19/1123371619.db2.gz NHUWGMAJHSVOSG-DLBZAZTESA-N 0 0 280.371 3.628 20 10 CHCDRN COc1cc(N(C)CCC=C(C)C)cc(OC)c1OC ZINC000851782554 1123381049 /nfs/dbraw/zinc/38/10/49/1123381049.db2.gz AHWLZVOWBUDBOH-UHFFFAOYSA-N 0 0 279.380 3.505 20 10 CHCDRN CCN(Cc1cc(C2CC2)no1)c1ccc(OC)cc1 ZINC000851827668 1123383057 /nfs/dbraw/zinc/38/30/57/1123383057.db2.gz HZXOLVIPFFUPDB-UHFFFAOYSA-N 0 0 272.348 3.587 20 10 CHCDRN COc1ccc2c(c1)CCCCN2Cc1nc(C)oc1C ZINC000851885268 1123385396 /nfs/dbraw/zinc/38/53/96/1123385396.db2.gz YPDGEVOICJZVGV-UHFFFAOYSA-N 0 0 286.375 3.643 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2cccc(F)n2)cc1 ZINC000851985592 1123392578 /nfs/dbraw/zinc/39/25/78/1123392578.db2.gz NVWNMIBHIVQVKX-UHFFFAOYSA-N 0 0 274.339 3.644 20 10 CHCDRN CN(C)c1ccc(CNC(=O)CCC2CCCCC2)cc1 ZINC000008170895 1123394552 /nfs/dbraw/zinc/39/45/52/1123394552.db2.gz JVFKOQGFQMYFPN-UHFFFAOYSA-N 0 0 288.435 3.729 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000759218914 1123453243 /nfs/dbraw/zinc/45/32/43/1123453243.db2.gz VKDKJFXQVHLWSA-HIFRSBDPSA-N 0 0 288.435 3.504 20 10 CHCDRN C[C@H]([NH2+]CCOC1CCCCC1)c1ccc(F)cc1[O-] ZINC000111636457 1123457625 /nfs/dbraw/zinc/45/76/25/1123457625.db2.gz DLGGLEWWEDXMPE-LBPRGKRZSA-N 0 0 281.371 3.531 20 10 CHCDRN CC1=C[C@@H](C)C[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000797605476 1123459973 /nfs/dbraw/zinc/45/99/73/1123459973.db2.gz ROTFLKTXLGVVSG-SNVBAGLBSA-N 0 0 296.208 3.553 20 10 CHCDRN CCc1nc(C)cc(Sc2ncc(Cl)s2)n1 ZINC000853964440 1123464331 /nfs/dbraw/zinc/46/43/31/1123464331.db2.gz NAFMCCCVBAGLAY-UHFFFAOYSA-N 0 0 271.798 3.609 20 10 CHCDRN CCCC[C@](C)(F)c1nc(Cc2ccc(N)cc2)no1 ZINC000854133758 1123470258 /nfs/dbraw/zinc/47/02/58/1123470258.db2.gz JNFZWTUWNUEBCH-HNNXBMFYSA-N 0 0 277.343 3.618 20 10 CHCDRN CCCC1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCC1 ZINC000759241822 1123470413 /nfs/dbraw/zinc/47/04/13/1123470413.db2.gz QUIFKGCBHIMKBV-LBPRGKRZSA-N 0 0 291.391 3.548 20 10 CHCDRN CCN(C(=O)/C=C/c1cnc(C)s1)c1ccc(F)cc1 ZINC000112230561 1123485034 /nfs/dbraw/zinc/48/50/34/1123485034.db2.gz MDVRAWSLNTXMAJ-CMDGGOBGSA-N 0 0 290.363 3.657 20 10 CHCDRN Cc1cc(Cl)cc(CN2CCc3occc3C2)c1O ZINC001237687389 1129127671 /nfs/dbraw/zinc/12/76/71/1129127671.db2.gz ZWBHXDFWJWZKTP-UHFFFAOYSA-N 0 0 277.751 3.505 20 10 CHCDRN Cc1ncsc1/C=C/C(=O)N1C[C@@H](C)Cc2ccccc21 ZINC000776828926 1123532979 /nfs/dbraw/zinc/53/29/79/1123532979.db2.gz NJVGWGIRPHOYMT-GUOLPTJISA-N 0 0 298.411 3.690 20 10 CHCDRN C[C@H](Nc1ccc(C[NH+](C)C)c(F)c1)c1ccccc1O ZINC000783532659 1123553707 /nfs/dbraw/zinc/55/37/07/1123553707.db2.gz RIWDZUXJAVQOOA-LBPRGKRZSA-N 0 0 288.366 3.766 20 10 CHCDRN CCC[C@H](C)CC(=O)NCCCSc1nccs1 ZINC000114374565 1123563519 /nfs/dbraw/zinc/56/35/19/1123563519.db2.gz VZBDNVDQBRWFRY-NSHDSACASA-N 0 0 286.466 3.568 20 10 CHCDRN CC[C@@H](CC1CCCC1)C(=O)N(C)Cc1ccccc1O ZINC000114630409 1123570727 /nfs/dbraw/zinc/57/07/27/1123570727.db2.gz NJSJGPPQLUGMHC-HNNXBMFYSA-N 0 0 289.419 3.957 20 10 CHCDRN CC[C@@H](C)[C@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000194174237 1129131214 /nfs/dbraw/zinc/13/12/14/1129131214.db2.gz OZMFTJSFHFMLFT-OCCSQVGLSA-N 0 0 299.418 3.654 20 10 CHCDRN CN(C(=O)c1cccc(O)c1O)c1cccc2ccccc21 ZINC001626761007 1123587246 /nfs/dbraw/zinc/58/72/46/1123587246.db2.gz CDIXRRQKMOYCKP-UHFFFAOYSA-N 0 0 293.322 3.528 20 10 CHCDRN CCC(F)(F)CN[C@H](C)c1ccc(Cl)cc1O ZINC000858507052 1123658261 /nfs/dbraw/zinc/65/82/61/1123658261.db2.gz KHYYDZWUDDUYDU-MRVPVSSYSA-N 0 0 263.715 3.742 20 10 CHCDRN CCC(F)(F)CN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000858506287 1123658522 /nfs/dbraw/zinc/65/85/22/1123658522.db2.gz FPATVLHCBUJXOT-WCBMZHEXSA-N 0 0 273.298 3.715 20 10 CHCDRN C[C@@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1cc(F)cc(F)c1[O-] ZINC000858538828 1123660844 /nfs/dbraw/zinc/66/08/44/1123660844.db2.gz YEERVKCWONIQBY-OJLPPKNESA-N 0 0 281.346 3.757 20 10 CHCDRN C/C=C\C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000858535753 1123661020 /nfs/dbraw/zinc/66/10/20/1123661020.db2.gz BGBVBWWSTVILJJ-TUUFMJSCSA-N 0 0 260.164 3.926 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CCCC12CC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000858594455 1123666232 /nfs/dbraw/zinc/66/62/32/1123666232.db2.gz QEBFDTPDGOLHAJ-VXGBXAGGSA-N 0 0 290.363 3.531 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)CC1CCC(F)(F)CC1 ZINC000860047981 1123719533 /nfs/dbraw/zinc/71/95/33/1123719533.db2.gz OAIFWVZWJHXIOX-UHFFFAOYSA-N 0 0 297.345 3.566 20 10 CHCDRN CS[C@H]1CCC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000117393897 1123728654 /nfs/dbraw/zinc/72/86/54/1123728654.db2.gz SJEOAYYTUSVBKT-QWRGUYRKSA-N 0 0 285.840 3.809 20 10 CHCDRN CCCC[C@@H](CC)CC(=O)NCc1cc(OC)ccc1O ZINC000117415191 1123730831 /nfs/dbraw/zinc/73/08/31/1123730831.db2.gz KZCJHPJBWJHOIL-CYBMUJFWSA-N 0 0 293.407 3.624 20 10 CHCDRN CCCC[C@H](CC)CC(=O)NCc1cc(OC)ccc1O ZINC000117415194 1123731004 /nfs/dbraw/zinc/73/10/04/1123731004.db2.gz KZCJHPJBWJHOIL-ZDUSSCGKSA-N 0 0 293.407 3.624 20 10 CHCDRN CCC1(C(=O)NCc2ccc3cccnc3c2O)CCCC1 ZINC000862026881 1123788890 /nfs/dbraw/zinc/78/88/90/1123788890.db2.gz BJCMENXPMDCDGK-UHFFFAOYSA-N 0 0 298.386 3.527 20 10 CHCDRN Oc1cccc(Br)c1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000862406523 1123807243 /nfs/dbraw/zinc/80/72/43/1123807243.db2.gz PIGRJBKXARUKSC-GWCFXTLKSA-N 0 0 296.208 3.529 20 10 CHCDRN CC[C@H]([NH2+]C1CCC(OC)CC1)c1ccc(F)cc1[O-] ZINC000840792790 1123811427 /nfs/dbraw/zinc/81/14/27/1123811427.db2.gz REILIBRNNRSMND-PIMMBPRGSA-N 0 0 281.371 3.530 20 10 CHCDRN CC[C@@H](CCc1ccccc1)NC(=O)C1=CC(=O)CS1 ZINC000862689888 1123825463 /nfs/dbraw/zinc/82/54/63/1123825463.db2.gz FOZMIZGFJHTWCD-ZDUSSCGKSA-N 0 0 289.400 3.595 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCC(C)(C)C2)c1 ZINC000862758129 1123827309 /nfs/dbraw/zinc/82/73/09/1123827309.db2.gz PPSBOSVMDDMFRJ-CYBMUJFWSA-N 0 0 275.392 3.533 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)C2CCC(C3CC3)CC2)c1 ZINC000862753867 1123827448 /nfs/dbraw/zinc/82/74/48/1123827448.db2.gz JMWKHDOLXNNIDF-UHFFFAOYSA-N 0 0 287.403 3.533 20 10 CHCDRN CCCC[C@H](CC)C(=O)NCc1cc(C)ccc1O ZINC000862760309 1123827549 /nfs/dbraw/zinc/82/75/49/1123827549.db2.gz PKQMMSRUMXWMQQ-ZDUSSCGKSA-N 0 0 263.381 3.533 20 10 CHCDRN CCN1C(=O)/C(=C/c2ccc(C3CC3)cc2)SC1=S ZINC000840713749 1123827890 /nfs/dbraw/zinc/82/78/90/1123827890.db2.gz VDPWHLXPMJVFLA-LCYFTJDESA-N 0 0 289.425 3.785 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)[C@@H](c2ccccc2)C(C)C)c1 ZINC000862760536 1123827897 /nfs/dbraw/zinc/82/78/97/1123827897.db2.gz UHVDAAQXJWRIDU-GOSISDBHSA-N 0 0 297.398 3.757 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H](C)CCOC)c1cccc(Cl)c1[O-] ZINC000840836533 1123839125 /nfs/dbraw/zinc/83/91/25/1123839125.db2.gz ZZGJURMSGWMRGJ-BXUZGUMPSA-N 0 0 285.815 3.759 20 10 CHCDRN c1csc(S[C@H]2CCO[C@@H](c3cccnc3)C2)n1 ZINC000863294748 1123859126 /nfs/dbraw/zinc/85/91/26/1123859126.db2.gz DQHJJUFQQIDEFY-NWDGAFQWSA-N 0 0 278.402 3.551 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNc1nc2ccccc2o1 ZINC000301274843 1123886677 /nfs/dbraw/zinc/88/66/77/1123886677.db2.gz IOQDCICACCUZQC-UHFFFAOYSA-N 0 0 281.359 3.814 20 10 CHCDRN Cc1cc(NCc2ccc(N3CCC(C)CC3)cc2)ncn1 ZINC000301299500 1123889468 /nfs/dbraw/zinc/88/94/68/1123889468.db2.gz ZEFZAHHHJAGDBC-UHFFFAOYSA-N 0 0 296.418 3.633 20 10 CHCDRN COc1ccc(CN(C)c2ccc(OC)c(F)c2)cc1C ZINC000864018327 1123909821 /nfs/dbraw/zinc/90/98/21/1123909821.db2.gz DBEXCTONMAEKSZ-UHFFFAOYSA-N 0 0 289.350 3.788 20 10 CHCDRN Cc1cc(O)c(CNc2cc(F)cc(N(C)C)c2)cc1C ZINC000864016893 1123909923 /nfs/dbraw/zinc/90/99/23/1123909923.db2.gz YOYYECXFXMILST-UHFFFAOYSA-N 0 0 288.366 3.826 20 10 CHCDRN COc1ccc(NCc2c(O)cccc2Cl)c(F)c1 ZINC000864042877 1123912407 /nfs/dbraw/zinc/91/24/07/1123912407.db2.gz YNPDHQGXNBHRQK-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN Cc1scc(/C=C2/SC(=S)N(C3CC3)C2=O)c1C ZINC000864357062 1123925378 /nfs/dbraw/zinc/92/53/78/1123925378.db2.gz VPPSBBHXXOCSJK-VZUCSPMQSA-N 0 0 295.454 3.729 20 10 CHCDRN CCN(Cc1cc(C)c(C)cc1O)[C@@H](C)C(F)(F)F ZINC000794678624 1123926848 /nfs/dbraw/zinc/92/68/48/1123926848.db2.gz NYYFCBFANWZGFA-NSHDSACASA-N 0 0 275.314 3.782 20 10 CHCDRN CCN(Cc1cc(C)c(C)cc1O)[C@H](C)C(F)(F)F ZINC000794678622 1123926900 /nfs/dbraw/zinc/92/69/00/1123926900.db2.gz NYYFCBFANWZGFA-LLVKDONJSA-N 0 0 275.314 3.782 20 10 CHCDRN Cc1ccc(C)c(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000120171224 1123939240 /nfs/dbraw/zinc/93/92/40/1123939240.db2.gz FCNOWUXMWVCQAN-UHFFFAOYSA-N 0 0 296.414 3.752 20 10 CHCDRN O=[N+]([O-])c1ccc(NCc2c(O)ccc3c2CCCC3)cc1 ZINC000302001208 1123948746 /nfs/dbraw/zinc/94/87/46/1123948746.db2.gz RUJYVMSOPYZYCD-UHFFFAOYSA-N 0 0 298.342 3.791 20 10 CHCDRN CC(C)c1nsc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302419175 1123968389 /nfs/dbraw/zinc/96/83/89/1123968389.db2.gz NUNWAZVXUCVYON-NSHDSACASA-N 0 0 290.436 3.901 20 10 CHCDRN CCOc1ccc(CNc2cncc(C(F)F)c2)c(O)c1 ZINC000865295797 1123970508 /nfs/dbraw/zinc/97/05/08/1123970508.db2.gz NDPDMPHYASITGR-UHFFFAOYSA-N 0 0 294.301 3.736 20 10 CHCDRN CN(C)c1ccc(CNC(=O)CCCC(C)(C)C)cc1F ZINC000303237017 1123999889 /nfs/dbraw/zinc/99/98/89/1123999889.db2.gz XYFCJLHSFFEJQC-UHFFFAOYSA-N 0 0 294.414 3.724 20 10 CHCDRN Cc1cc(C(F)(F)F)nc(N[C@H](C)c2ccccc2O)n1 ZINC000866237365 1124039935 /nfs/dbraw/zinc/03/99/35/1124039935.db2.gz IPWJDFHBIGAHHS-SECBINFHSA-N 0 0 297.280 3.683 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCCC12CC2)c1cc(F)cc(F)c1[O-] ZINC000866411694 1124064697 /nfs/dbraw/zinc/06/46/97/1124064697.db2.gz TZIORGXHOOJYHF-TVQRCGJNSA-N 0 0 267.319 3.654 20 10 CHCDRN C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000866491200 1124072715 /nfs/dbraw/zinc/07/27/15/1124072715.db2.gz NKJLSIULAKYXNE-GOPGUHFVSA-N 0 0 293.382 3.530 20 10 CHCDRN COCc1cc(N[C@@H](C)c2ccccc2O)ccc1OC ZINC000866499582 1124073566 /nfs/dbraw/zinc/07/35/66/1124073566.db2.gz NBZZXBUFMNNKCK-LBPRGKRZSA-N 0 0 287.359 3.720 20 10 CHCDRN COC(C)(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000866505136 1124073654 /nfs/dbraw/zinc/07/36/54/1124073654.db2.gz HWHWOLXHADZQMR-SNVBAGLBSA-N 0 0 271.788 3.511 20 10 CHCDRN CCOc1ccc(N(C)Cc2sc(C)nc2C)cc1 ZINC000121861376 1124104039 /nfs/dbraw/zinc/10/40/39/1124104039.db2.gz QNNAQNZDFVWXBB-UHFFFAOYSA-N 0 0 276.405 3.795 20 10 CHCDRN Cc1cc(C(=O)N[C@H](C)c2ccccc2O)c(C)n1C1CC1 ZINC001119049911 1131245732 /nfs/dbraw/zinc/24/57/32/1131245732.db2.gz XOCVALFVDWZRHB-GFCCVEGCSA-N 0 0 298.386 3.636 20 10 CHCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccsc1 ZINC000868586306 1124477119 /nfs/dbraw/zinc/47/71/19/1124477119.db2.gz OVMJXIQLNPJULY-MNOVXSKESA-N 0 0 290.388 3.575 20 10 CHCDRN C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1ccsc1 ZINC000868586307 1124477372 /nfs/dbraw/zinc/47/73/72/1124477372.db2.gz OVMJXIQLNPJULY-QWRGUYRKSA-N 0 0 290.388 3.575 20 10 CHCDRN CCC(=O)c1ccc(Sc2nccs2)c([N+](=O)[O-])c1 ZINC000795074254 1124509054 /nfs/dbraw/zinc/50/90/54/1124509054.db2.gz XDTUYKREHGEZOF-UHFFFAOYSA-N 0 0 294.357 3.795 20 10 CHCDRN C[C@@H](C1CC1)N(C(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000869879263 1124539093 /nfs/dbraw/zinc/53/90/93/1124539093.db2.gz BVLVAEWOZUUBIF-NSHDSACASA-N 0 0 287.384 3.899 20 10 CHCDRN O=C(C1CC2(C1)CCCCC2)N1Cc2cccc(O)c2C1 ZINC000871206144 1124602525 /nfs/dbraw/zinc/60/25/25/1124602525.db2.gz TVMPVWVXTDWRCK-UHFFFAOYSA-N 0 0 285.387 3.595 20 10 CHCDRN CC(C)(Cc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202871 1124602710 /nfs/dbraw/zinc/60/27/10/1124602710.db2.gz NTUNVMURZXYISC-UHFFFAOYSA-N 0 0 295.382 3.503 20 10 CHCDRN CCN(C)c1ccc([C@@H](C)Nc2cnn(CC)c2C)cc1 ZINC000872137483 1124693534 /nfs/dbraw/zinc/69/35/34/1124693534.db2.gz MCKKYRXZTUDNPO-CYBMUJFWSA-N 0 0 286.423 3.841 20 10 CHCDRN Nc1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1 ZINC000019402732 1124702264 /nfs/dbraw/zinc/70/22/64/1124702264.db2.gz WAFDOXZQBDHSQY-UHFFFAOYSA-N 0 0 276.339 3.603 20 10 CHCDRN O=C(C1=CCCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000124508230 1124765423 /nfs/dbraw/zinc/76/54/23/1124765423.db2.gz HLIUNIHORXZCCQ-UHFFFAOYSA-N 0 0 297.354 3.624 20 10 CHCDRN C[C@H](Nc1ccc2c(c1)OCCCO2)c1ccccc1O ZINC000019906118 1124768727 /nfs/dbraw/zinc/76/87/27/1124768727.db2.gz HERBQLMNMPTFDW-LBPRGKRZSA-N 0 0 285.343 3.727 20 10 CHCDRN CC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000124550921 1124772719 /nfs/dbraw/zinc/77/27/19/1124772719.db2.gz DZKPSQWWUGJFSX-NSHDSACASA-N 0 0 253.773 3.668 20 10 CHCDRN CCC(CC)[N@H+](CCOC)Cc1cccc(Cl)c1[O-] ZINC000124544525 1124773729 /nfs/dbraw/zinc/77/37/29/1124773729.db2.gz IIQBZXONSOFNSM-UHFFFAOYSA-N 0 0 285.815 3.683 20 10 CHCDRN CNc1ccc(Nc2ccnc(OCC3CC3)c2)cc1 ZINC001159828662 1131293440 /nfs/dbraw/zinc/29/34/40/1131293440.db2.gz HTGIWPQSTLUBOW-UHFFFAOYSA-N 0 0 269.348 3.656 20 10 CHCDRN CN1CCC(C)(C)c2cc(/C=C/C(C)(C)O)ccc21 ZINC001239160835 1131303542 /nfs/dbraw/zinc/30/35/42/1131303542.db2.gz HQNUHALQJZHJEJ-CMDGGOBGSA-N 0 0 259.393 3.588 20 10 CHCDRN CCc1ccccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124839942 1124819671 /nfs/dbraw/zinc/81/96/71/1124819671.db2.gz KQTVCGCJOZZMIW-UHFFFAOYSA-N 0 0 275.779 3.898 20 10 CHCDRN Nc1c(F)cccc1Nc1ccc2c(c1)CCCN2 ZINC001159870137 1131318519 /nfs/dbraw/zinc/31/85/19/1131318519.db2.gz FCMCTRAZOBMVOE-UHFFFAOYSA-N 0 0 257.312 3.510 20 10 CHCDRN CCCCN(C(=O)/C=C/c1ccc(C)nc1)c1ccccn1 ZINC000876084937 1124923782 /nfs/dbraw/zinc/92/37/82/1124923782.db2.gz UJUHFUQZZAGZJM-ZHACJKMWSA-N 0 0 295.386 3.632 20 10 CHCDRN Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c(O)c1 ZINC000876738801 1124973190 /nfs/dbraw/zinc/97/31/90/1124973190.db2.gz AZSAGSZCDPWEAS-QGZVFWFLSA-N 0 0 282.387 3.741 20 10 CHCDRN CCOc1cc(NCc2c(C)cccc2O)ccc1OC ZINC000876821139 1124980861 /nfs/dbraw/zinc/98/08/61/1124980861.db2.gz ATYGQUAAUDMLKS-UHFFFAOYSA-N 0 0 287.359 3.720 20 10 CHCDRN Cc1ccc(C[NH2+]C(C)(C)c2cccs2)c(O)c1 ZINC000877036389 1125000108 /nfs/dbraw/zinc/00/01/08/1125000108.db2.gz PZMBNPOIMHKOPN-UHFFFAOYSA-N 0 0 261.390 3.787 20 10 CHCDRN [O-]c1c(C[NH2+]C2(c3ccccc3F)CC2)ccc(F)c1F ZINC000877049873 1125003575 /nfs/dbraw/zinc/00/35/75/1125003575.db2.gz HWHULENIUSWRSG-UHFFFAOYSA-N 0 0 293.288 3.588 20 10 CHCDRN CN(C(=O)[C@@H]1[C@@H](c2ccccc2)C1(C)C)c1ccc(N)cc1 ZINC000877074163 1125005095 /nfs/dbraw/zinc/00/50/95/1125005095.db2.gz AMMWSZRAKLCLFO-SJORKVTESA-N 0 0 294.398 3.671 20 10 CHCDRN Cc1ccccc1[C@@H](C)CC(=O)N(C)c1ccc(N)cc1 ZINC000877078604 1125006175 /nfs/dbraw/zinc/00/61/75/1125006175.db2.gz WNEHARABFPGABW-AWEZNQCLSA-N 0 0 282.387 3.734 20 10 CHCDRN C[C@H]1C[C@@H]1c1ccc(CCC(=O)N(C)c2ccc(N)cc2)o1 ZINC000877080024 1125006595 /nfs/dbraw/zinc/00/65/95/1125006595.db2.gz DZZVOVHRVSXQBV-LRDDRELGSA-N 0 0 298.386 3.581 20 10 CHCDRN Cc1cccc(C2(C(=O)N(C)c3ccc(N)cc3)CCC2)c1 ZINC000877081336 1125006869 /nfs/dbraw/zinc/00/68/69/1125006869.db2.gz YVFPUKHGOKLKPX-UHFFFAOYSA-N 0 0 294.398 3.662 20 10 CHCDRN Cc1c(NCc2ccc(C)cc2O)cnn1C1CCCC1 ZINC000877479394 1125032338 /nfs/dbraw/zinc/03/23/38/1125032338.db2.gz CKCKKAVRGKZDMW-UHFFFAOYSA-N 0 0 285.391 3.933 20 10 CHCDRN CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877530015 1125041398 /nfs/dbraw/zinc/04/13/98/1125041398.db2.gz BQPBPIZGRYPWEA-CQSZACIVSA-N 0 0 292.329 3.649 20 10 CHCDRN COc1cccc(NCc2ccc(C)cc2O)c1C ZINC000877652051 1125057941 /nfs/dbraw/zinc/05/79/41/1125057941.db2.gz ACUFADXAIQUCGO-UHFFFAOYSA-N 0 0 257.333 3.630 20 10 CHCDRN Cc1conc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000878215817 1125132752 /nfs/dbraw/zinc/13/27/52/1125132752.db2.gz KKGKHZUMFHXNFP-UHFFFAOYSA-N 0 0 294.301 3.537 20 10 CHCDRN CN(C)c1ccccc1NCc1c(O)cccc1Cl ZINC000127285587 1125175318 /nfs/dbraw/zinc/17/53/18/1125175318.db2.gz FAPBLVWXWJIJJB-UHFFFAOYSA-N 0 0 276.767 3.724 20 10 CHCDRN COc1ccc(F)c(NCc2c(O)cccc2Cl)c1 ZINC000127350034 1125179669 /nfs/dbraw/zinc/17/96/69/1125179669.db2.gz HMWHYXJXXYGXOD-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN CCOc1cccc(C[N@@H+]2CCC[C@H](CC)CC2)c1O ZINC000211463294 1125306479 /nfs/dbraw/zinc/30/64/79/1125306479.db2.gz UQIJAZZCNZPCSH-AWEZNQCLSA-N 0 0 277.408 3.803 20 10 CHCDRN Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882935220 1125362816 /nfs/dbraw/zinc/36/28/16/1125362816.db2.gz JQMXEULKJXJWEP-MRXNPFEDSA-N 0 0 289.325 3.756 20 10 CHCDRN C[C@@H]([NH2+]C1CCC2(COC2)CC1)c1ccc(Cl)cc1[O-] ZINC000883383239 1125407694 /nfs/dbraw/zinc/40/76/94/1125407694.db2.gz VYGPMJRRZICZOL-LLVKDONJSA-N 0 0 295.810 3.655 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CC[C@H](C)C1 ZINC000133008899 1125429329 /nfs/dbraw/zinc/42/93/29/1125429329.db2.gz MQGLVTBIIRDQLO-LSDHHAIUSA-N 0 0 289.419 3.957 20 10 CHCDRN COc1ncc(-c2ccc(-n3c(C)ccc3C)nc2)cc1F ZINC001239512403 1131355995 /nfs/dbraw/zinc/35/59/95/1131355995.db2.gz NXQHKFKYVBFCEW-UHFFFAOYSA-N 0 0 297.333 3.699 20 10 CHCDRN Cc1ccc(C)c(OCCSc2nccs2)c1 ZINC000072016351 1129180770 /nfs/dbraw/zinc/18/07/70/1129180770.db2.gz VCWYKEWLQOHHQX-UHFFFAOYSA-N 0 0 265.403 3.931 20 10 CHCDRN CC[C@H](C)CCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000795202753 1129187812 /nfs/dbraw/zinc/18/78/12/1129187812.db2.gz ASJIOOVCFJRMLY-HNNXBMFYSA-N 0 0 288.435 3.729 20 10 CHCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001237808720 1129197551 /nfs/dbraw/zinc/19/75/51/1129197551.db2.gz VZGSXEWKTOLTSV-SNVBAGLBSA-N 0 0 275.726 3.509 20 10 CHCDRN COc1cc(N[C@@H]2CCc3cccc(O)c32)ccc1F ZINC000296235038 1129220542 /nfs/dbraw/zinc/22/05/42/1129220542.db2.gz APDWJVRVLFVQHD-CYBMUJFWSA-N 0 0 273.307 3.639 20 10 CHCDRN Cc1oc2ccccc2c1C(=O)N(C)Cc1ccccc1O ZINC000184566364 1129221022 /nfs/dbraw/zinc/22/10/22/1129221022.db2.gz PETGTUCFWYHFII-UHFFFAOYSA-N 0 0 295.338 3.719 20 10 CHCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCC2(CCC2)C1 ZINC001237949427 1129227102 /nfs/dbraw/zinc/22/71/02/1129227102.db2.gz LRCINGYKEVOIIK-UHFFFAOYSA-N 0 0 269.747 3.561 20 10 CHCDRN CC[C@@H]([NH2+]Cc1scnc1C)c1ccc(F)cc1[O-] ZINC000796760358 1129265458 /nfs/dbraw/zinc/26/54/58/1129265458.db2.gz COFJYBZKHIFQMX-GFCCVEGCSA-N 0 0 280.368 3.537 20 10 CHCDRN CCOc1cccc(N[C@@H](C)c2ccccc2O)c1 ZINC000037780166 1129268777 /nfs/dbraw/zinc/26/87/77/1129268777.db2.gz VFOBMTDFYNBTSN-LBPRGKRZSA-N 0 0 257.333 3.964 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(C)o1 ZINC000282594912 1129273737 /nfs/dbraw/zinc/27/37/37/1129273737.db2.gz XKXQLPFGXFDGAM-UHFFFAOYSA-N 0 0 287.359 3.736 20 10 CHCDRN Cc1cccc2c1CCCN2C(=O)/C=C/c1cncc(F)c1 ZINC000733944989 1129289360 /nfs/dbraw/zinc/28/93/60/1129289360.db2.gz TZWYHMKJCDKCPI-BQYQJAHWSA-N 0 0 296.345 3.522 20 10 CHCDRN CC(C)(C)[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000734873185 1129325585 /nfs/dbraw/zinc/32/55/85/1129325585.db2.gz YXSFDXHAHISGQY-LLVKDONJSA-N 0 0 281.421 3.742 20 10 CHCDRN CCCC[C@H](CC)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000735245157 1129336880 /nfs/dbraw/zinc/33/68/80/1129336880.db2.gz PWIRTVLQJJMRLA-HNNXBMFYSA-N 0 0 290.451 3.975 20 10 CHCDRN O=C(N[C@H](c1ccccc1)C1CCC1)C1=CC(=O)CS1 ZINC000735522996 1129348945 /nfs/dbraw/zinc/34/89/45/1129348945.db2.gz RBPAAULNOJJELK-OAHLLOKOSA-N 0 0 287.384 3.725 20 10 CHCDRN Cc1cc(F)cc(NCc2ccc(N(C)C)cc2)c1 ZINC000091510052 1129362657 /nfs/dbraw/zinc/36/26/57/1129362657.db2.gz CTPXOHRHSSGYSK-UHFFFAOYSA-N 0 0 258.340 3.812 20 10 CHCDRN CCN(CC)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000248128389 1129405377 /nfs/dbraw/zinc/40/53/77/1129405377.db2.gz WASFWVQOSIBBKC-UHFFFAOYSA-N 0 0 284.403 3.885 20 10 CHCDRN Cc1cc(C(=O)NC[C@@H](C)C(C)C)c(C)n1-c1ccccn1 ZINC000739776468 1129407844 /nfs/dbraw/zinc/40/78/44/1129407844.db2.gz DLSZLBUNIJYIMQ-CYBMUJFWSA-N 0 0 299.418 3.511 20 10 CHCDRN CCOc1ccc(N(C)Cc2ccnc(Cl)c2)cc1 ZINC000739922906 1129409588 /nfs/dbraw/zinc/40/95/88/1129409588.db2.gz QGNYZUMVDSNGHU-UHFFFAOYSA-N 0 0 276.767 3.770 20 10 CHCDRN COc1ccc(N(C)Cc2ncccc2C)cc1Cl ZINC000093189341 1129418084 /nfs/dbraw/zinc/41/80/84/1129418084.db2.gz ZLZRORCZEFTZBS-UHFFFAOYSA-N 0 0 276.767 3.688 20 10 CHCDRN COCCCCCN1CCCCc2cc(OC)ccc21 ZINC000766269349 1129433918 /nfs/dbraw/zinc/43/39/18/1129433918.db2.gz IVPXMYRQVZRTCN-UHFFFAOYSA-N 0 0 277.408 3.655 20 10 CHCDRN COc1ccc2c(c1)CCCCN2Cc1ccn(C(C)C)n1 ZINC000766270891 1129434071 /nfs/dbraw/zinc/43/40/71/1129434071.db2.gz WECPBQBUOWVWTM-UHFFFAOYSA-N 0 0 299.418 3.816 20 10 CHCDRN CC(=O)Nc1cccc(N[C@H](C)c2cc(F)ccc2O)c1 ZINC000094616676 1129448330 /nfs/dbraw/zinc/44/83/30/1129448330.db2.gz FCJNUEJXBODXPY-SNVBAGLBSA-N 0 0 288.322 3.663 20 10 CHCDRN O=C(C1=CC(=O)CS1)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000743716670 1129535538 /nfs/dbraw/zinc/53/55/38/1129535538.db2.gz JXNAHQIDNGLMLY-LBPRGKRZSA-N 0 0 293.775 3.694 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1=CCCCC1 ZINC000379580307 1129556082 /nfs/dbraw/zinc/55/60/82/1129556082.db2.gz JJMQNQQMYHTTAR-UHFFFAOYSA-N 0 0 251.757 3.636 20 10 CHCDRN COc1ccc(N(Cc2ncc(C)o2)CC(C)C)cc1 ZINC000744395407 1129575152 /nfs/dbraw/zinc/57/51/52/1129575152.db2.gz SSCJDJNUEXDMDK-UHFFFAOYSA-N 0 0 274.364 3.654 20 10 CHCDRN CCN(Cc1cccc(Cl)n1)c1ccc(OC)cc1 ZINC000744391965 1129575349 /nfs/dbraw/zinc/57/53/49/1129575349.db2.gz RGCFXJKEQISNKU-UHFFFAOYSA-N 0 0 276.767 3.770 20 10 CHCDRN COc1ccc2c(c1)CCCN2Cc1cccc(Cl)n1 ZINC000744385179 1129576467 /nfs/dbraw/zinc/57/64/67/1129576467.db2.gz VVKQLUJOYGTZLI-UHFFFAOYSA-N 0 0 288.778 3.696 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CC(CC(F)F)C1 ZINC000822520532 1131384931 /nfs/dbraw/zinc/38/49/31/1131384931.db2.gz FFQQTQWHWWRVJR-UHFFFAOYSA-N 0 0 296.144 3.786 20 10 CHCDRN COc1ccc(N(Cc2c(C)noc2C)CC(C)C)cc1 ZINC000746171217 1129627840 /nfs/dbraw/zinc/62/78/40/1129627840.db2.gz VNUMEFFWBJKSFG-UHFFFAOYSA-N 0 0 288.391 3.963 20 10 CHCDRN CCOc1ccc(N(CC)CC(=O)Nc2ccccc2)cc1 ZINC000746158651 1129627897 /nfs/dbraw/zinc/62/78/97/1129627897.db2.gz CKJNRORTUZNWQR-UHFFFAOYSA-N 0 0 298.386 3.550 20 10 CHCDRN CCSCCN(C)c1ccc(-c2nccs2)cc1 ZINC001170991067 1131387662 /nfs/dbraw/zinc/38/76/62/1131387662.db2.gz RILHGOFCDAJBGL-UHFFFAOYSA-N 0 0 278.446 3.999 20 10 CHCDRN Cc1cccc(C2(C(=O)Nc3ccc(N)cc3)CCC2)c1 ZINC000746478742 1129671071 /nfs/dbraw/zinc/67/10/71/1129671071.db2.gz YCVCPLLKKCAEBC-UHFFFAOYSA-N 0 0 280.371 3.638 20 10 CHCDRN COC(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000254877472 1129716023 /nfs/dbraw/zinc/71/60/23/1129716023.db2.gz RTDXWXNFMAYVMS-UHFFFAOYSA-N 0 0 283.331 3.955 20 10 CHCDRN CNc1ccccc1N[C@@H](C1CCC1)C(F)(F)F ZINC001169288452 1129716456 /nfs/dbraw/zinc/71/64/56/1129716456.db2.gz WSNHPSXOOSWCPC-LBPRGKRZSA-N 0 0 258.287 3.871 20 10 CHCDRN CC1(C[NH2+]Cc2cccc(Cl)c2[O-])CC(F)(F)C1 ZINC000720977010 1129732844 /nfs/dbraw/zinc/73/28/44/1129732844.db2.gz KWGXSGASRZYJTB-UHFFFAOYSA-N 0 0 275.726 3.571 20 10 CHCDRN CC1(CC(F)(F)F)C[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC000839144387 1129745840 /nfs/dbraw/zinc/74/58/40/1129745840.db2.gz HUVFJZPZCXSPGG-UHFFFAOYSA-N 0 0 293.716 3.820 20 10 CHCDRN C[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1C ZINC000380720273 1129832598 /nfs/dbraw/zinc/83/25/98/1129832598.db2.gz ABNNNJIWDZAVHW-IUCAKERBSA-N 0 0 274.191 3.929 20 10 CHCDRN CC(C)[N@H+](Cc1cc2c(cc1O)OCO2)C1CCCCC1 ZINC000768159751 1129836603 /nfs/dbraw/zinc/83/66/03/1129836603.db2.gz IUSUCHATHNTTDG-UHFFFAOYSA-N 0 0 291.391 3.664 20 10 CHCDRN CC(C)C[N@H+](Cc1cccc(Br)c1[O-])C1CC1 ZINC000768532945 1129861671 /nfs/dbraw/zinc/86/16/71/1129861671.db2.gz ROCBFOPKYJKBBP-UHFFFAOYSA-N 0 0 298.224 3.775 20 10 CHCDRN CC(C)[N@@H+](Cc1cc(Br)ccc1[O-])CC1CC1 ZINC000768672246 1129868503 /nfs/dbraw/zinc/86/85/03/1129868503.db2.gz AXNHXMUFZZOHLQ-UHFFFAOYSA-N 0 0 298.224 3.775 20 10 CHCDRN CC(C)[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC1CC1 ZINC000768676343 1129868671 /nfs/dbraw/zinc/86/86/71/1129868671.db2.gz XBGNXCIBMAEUTD-UHFFFAOYSA-N 0 0 298.770 3.574 20 10 CHCDRN Oc1ccc(CNc2ccc(-c3ccccc3)nc2)cc1O ZINC001169994862 1129872006 /nfs/dbraw/zinc/87/20/06/1129872006.db2.gz LHIUXKKSMDBYHF-UHFFFAOYSA-N 0 0 292.338 3.772 20 10 CHCDRN CC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000828861128 1131404604 /nfs/dbraw/zinc/40/46/04/1131404604.db2.gz LUBXRUKRFMOTCS-JJRVBVJISA-N 0 0 288.435 3.756 20 10 CHCDRN C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001461002526 1129900102 /nfs/dbraw/zinc/90/01/02/1129900102.db2.gz XXSJNQUAAVMJFA-ZANVPECISA-N 0 0 271.763 3.853 20 10 CHCDRN C[C@H](CCC1CC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000769417861 1129907601 /nfs/dbraw/zinc/90/76/01/1129907601.db2.gz PHNXDCKVCWKKLA-ZJUUUORDSA-N 0 0 269.335 3.900 20 10 CHCDRN Oc1ccc(Cl)cc1CN1CC=C(C(F)(F)F)CC1 ZINC000769482346 1129909445 /nfs/dbraw/zinc/90/94/45/1129909445.db2.gz COTJHOYLOWVZJM-UHFFFAOYSA-N 0 0 291.700 3.740 20 10 CHCDRN Cc1cc2c(cccc2-c2cncc(N(C)C)c2)n1C ZINC001242528723 1129913440 /nfs/dbraw/zinc/91/34/40/1129913440.db2.gz HJINPGNXCXOEOL-UHFFFAOYSA-N 0 0 265.360 3.615 20 10 CHCDRN C[N@H+](Cc1ccc[nH]1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769543423 1129917427 /nfs/dbraw/zinc/91/74/27/1129917427.db2.gz PJKNPNVIJZJEDE-UHFFFAOYSA-N 0 0 285.174 3.659 20 10 CHCDRN COc1ccc(N(C)C[C@H]2CCC3(CCCC3)O2)cc1F ZINC000801522186 1129924547 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SLDORNVMXXIUTN-UHFFFAOYSA-N 0 0 267.319 3.711 20 10 CHCDRN CCC[N@@H+](Cc1cc(Cl)c(O)cc1O)CC(C)C ZINC001232263870 1132444359 /nfs/dbraw/zinc/44/43/59/1132444359.db2.gz WWNNVVWCMKUYNN-UHFFFAOYSA-N 0 0 271.788 3.619 20 10 CHCDRN COc1cc(O)c(C[N@@H+]2CC[C@H]3CCC[C@@H]3C2)cc1Cl ZINC001232267787 1132446179 /nfs/dbraw/zinc/44/61/79/1132446179.db2.gz IXNUMNPLYOPKEG-VXGBXAGGSA-N 0 0 295.810 3.676 20 10 CHCDRN C[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)CC(F)F ZINC000842729019 1132455632 /nfs/dbraw/zinc/45/56/32/1132455632.db2.gz LLASKQANSILIOV-SSDOTTSWSA-N 0 0 281.705 3.566 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(Cl)cc1[O-] ZINC000842927583 1132475630 /nfs/dbraw/zinc/47/56/30/1132475630.db2.gz DMIBLMWTQHTUNN-SBFPOUOMSA-N 0 0 265.784 3.885 20 10 CHCDRN C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000842930198 1132477369 /nfs/dbraw/zinc/47/73/69/1132477369.db2.gz XPXKJFNZKMCNHL-HRDYMLBCSA-N 0 0 290.190 3.527 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1cccc(Cl)c1[O-] ZINC000842928368 1132477534 /nfs/dbraw/zinc/47/75/34/1132477534.db2.gz IZFRMKDAKBRONE-JIMOISOXSA-N 0 0 285.840 3.980 20 10 CHCDRN O=C(c1cccc(Nc2cccc(O)c2O)c1)C(F)(F)F ZINC001203345300 1132480629 /nfs/dbraw/zinc/48/06/29/1132480629.db2.gz XAZKNYPGGWWUKX-UHFFFAOYSA-N 0 0 297.232 3.586 20 10 CHCDRN C[C@H]1CC(c2nc(Cc3ccc(N)cc3)no2)C[C@H](C)C1 ZINC000843158961 1132499820 /nfs/dbraw/zinc/49/98/20/1132499820.db2.gz JKIAQQKMGXKSQM-VXGBXAGGSA-N 0 0 285.391 3.782 20 10 CHCDRN CC1(C)CCC[C@H](c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000843158975 1132500200 /nfs/dbraw/zinc/50/02/00/1132500200.db2.gz JQVMDNJLUYFULI-ZDUSSCGKSA-N 0 0 285.391 3.926 20 10 CHCDRN CC1(c2nc(Cc3ccc(N)cc3)no2)CCCCCC1 ZINC000843158726 1132500775 /nfs/dbraw/zinc/50/07/75/1132500775.db2.gz ILACQGUDMGECKH-UHFFFAOYSA-N 0 0 285.391 3.855 20 10 CHCDRN C[C@@H](CC1CCCC1)c1nc(Cc2ccc(N)cc2)no1 ZINC000843159145 1132500785 /nfs/dbraw/zinc/50/07/85/1132500785.db2.gz LLCNVYZCUVRAGH-LBPRGKRZSA-N 0 0 285.391 3.926 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1CCC(F)CC1 ZINC000843432198 1132531814 /nfs/dbraw/zinc/53/18/14/1132531814.db2.gz JFXGZSVUMZVEGT-UHFFFAOYSA-N 0 0 271.763 3.664 20 10 CHCDRN O=C(/C=C\Sc1ccccc1)N1Cc2cccc(O)c2C1 ZINC001152573601 1132584655 /nfs/dbraw/zinc/58/46/55/1132584655.db2.gz MDYLQIMHCASXPO-KTKRTIGZSA-N 0 0 297.379 3.540 20 10 CHCDRN CCCCC[C@H](C(=O)NCc1cccc(O)c1O)C(C)C ZINC001153798346 1132601409 /nfs/dbraw/zinc/60/14/09/1132601409.db2.gz PQTMILSTBKQOAR-AWEZNQCLSA-N 0 0 293.407 3.567 20 10 CHCDRN CCCC[N@H+](C)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415763 1132618117 /nfs/dbraw/zinc/61/81/17/1132618117.db2.gz IBSKSXIYBKAMBT-UHFFFAOYSA-N 0 0 261.287 3.643 20 10 CHCDRN CCC[N@H+](CC)Cc1cccc(C(F)(F)F)c1[O-] ZINC001233416183 1132618895 /nfs/dbraw/zinc/61/88/95/1132618895.db2.gz YSPISOYSCOWIMH-UHFFFAOYSA-N 0 0 261.287 3.643 20 10 CHCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H](C)[C@H](C)CC ZINC001233498858 1132628481 /nfs/dbraw/zinc/62/84/81/1132628481.db2.gz WNNUYEFVQCUBMA-GHMZBOCLSA-N 0 0 280.364 3.894 20 10 CHCDRN CCN(Cc1ccccc1O)c1cccc(SC)n1 ZINC001154888415 1132629661 /nfs/dbraw/zinc/62/96/61/1132629661.db2.gz BUWPULUTKRFJQL-UHFFFAOYSA-N 0 0 274.389 3.536 20 10 CHCDRN CCN(Cc1ccccc1O)c1nc(C)c2ccccc2n1 ZINC001154889684 1132630892 /nfs/dbraw/zinc/63/08/92/1132630892.db2.gz DQCVJQGGYOVQBG-UHFFFAOYSA-N 0 0 293.370 3.670 20 10 CHCDRN CCN1CCc2cc(OC(C3CC3)C3CC3)ccc21 ZINC001233601468 1132646904 /nfs/dbraw/zinc/64/69/04/1132646904.db2.gz KHXCRWHDERMRGF-UHFFFAOYSA-N 0 0 257.377 3.636 20 10 CHCDRN COc1ncc(N(c2ccccc2)c2ccc(N)cc2)cn1 ZINC001174035425 1132700862 /nfs/dbraw/zinc/70/08/62/1132700862.db2.gz USGGCKICUVYARJ-UHFFFAOYSA-N 0 0 292.342 3.537 20 10 CHCDRN Cc1ccnc(N(C)Cc2ccc(N(C)C)cc2)c1Cl ZINC001156924325 1132716619 /nfs/dbraw/zinc/71/66/19/1132716619.db2.gz XXRCJMDVTTXOIV-UHFFFAOYSA-N 0 0 289.810 3.746 20 10 CHCDRN Cc1c(N(Cc2ccccc2)c2ccc(N)cc2)cnn1C ZINC001174391701 1132809076 /nfs/dbraw/zinc/80/90/76/1132809076.db2.gz IJRSZZTWEDAXRU-UHFFFAOYSA-N 0 0 292.386 3.649 20 10 CHCDRN Nc1ccc(Nc2ccnc3ccc(Cl)cc32)cc1 ZINC001159154265 1132812639 /nfs/dbraw/zinc/81/26/39/1132812639.db2.gz PGTAYAHLDVVGGJ-UHFFFAOYSA-N 0 0 269.735 3.636 20 10 CHCDRN COc1cccc2cc(Nc3ccc(N)cc3)cnc21 ZINC001159304435 1132825989 /nfs/dbraw/zinc/82/59/89/1132825989.db2.gz XHTSJWSODHCTBL-UHFFFAOYSA-N 0 0 265.316 3.569 20 10 CHCDRN CSc1cc(Nc2ccc3c(c2)CCCN3)ccn1 ZINC001159371034 1132834732 /nfs/dbraw/zinc/83/47/32/1132834732.db2.gz DNJGSVIWFRGMNB-UHFFFAOYSA-N 0 0 271.389 3.905 20 10 CHCDRN Cc1ccccc1-c1cc(Nc2ccc(N)cc2)n(C)n1 ZINC001159384386 1132837552 /nfs/dbraw/zinc/83/75/52/1132837552.db2.gz WNAKCIGGGVWIHY-UHFFFAOYSA-N 0 0 278.359 3.721 20 10 CHCDRN c1cn(-c2cccc(Nc3ccc4c(c3)CCCN4)c2)cn1 ZINC001159461197 1132848817 /nfs/dbraw/zinc/84/88/17/1132848817.db2.gz NLWKRAXGTXOSQF-UHFFFAOYSA-N 0 0 290.370 3.974 20 10 CHCDRN FC1(F)Oc2ccc(Nc3ccc4c(c3)CCN4)cc2O1 ZINC001159522648 1132857710 /nfs/dbraw/zinc/85/77/10/1132857710.db2.gz MSLZLAYEPAPYBF-UHFFFAOYSA-N 0 0 290.269 3.720 20 10 CHCDRN Nc1ccc(Nc2ccc(F)c3cccnc23)cc1 ZINC001159732494 1132900028 /nfs/dbraw/zinc/90/00/28/1132900028.db2.gz CHANVDZKZKVWHF-UHFFFAOYSA-N 0 0 253.280 3.700 20 10 CHCDRN Nc1ccc(Nc2ccccc2OCC(F)(F)F)cc1 ZINC001159783353 1132908797 /nfs/dbraw/zinc/90/87/97/1132908797.db2.gz JQEVZMGBWHPNCR-UHFFFAOYSA-N 0 0 282.265 3.954 20 10 CHCDRN CNc1ccc(Nc2c(F)ccc(C)c2OC)cc1 ZINC001159829056 1132914191 /nfs/dbraw/zinc/91/41/91/1132914191.db2.gz PFNLKEKKVNQBTP-UHFFFAOYSA-N 0 0 260.312 3.928 20 10 CHCDRN CCn1cc(N(c2ccccc2)c2ccc(N)cc2)cn1 ZINC001174571311 1132914502 /nfs/dbraw/zinc/91/45/02/1132914502.db2.gz BKHFOTXXGVOCEO-UHFFFAOYSA-N 0 0 278.359 3.955 20 10 CHCDRN CC(=O)c1ccc(Nc2ccc(N)cc2)c(Cl)c1 ZINC001159972818 1132931325 /nfs/dbraw/zinc/93/13/25/1132931325.db2.gz DKQUZOHTGMMUOL-UHFFFAOYSA-N 0 0 260.724 3.868 20 10 CHCDRN CCOc1ccc(NCc2cc3ccccc3cc2O)nc1 ZINC001160207989 1132945785 /nfs/dbraw/zinc/94/57/85/1132945785.db2.gz ZQTPLJMLCHKJER-UHFFFAOYSA-N 0 0 294.354 3.951 20 10 CHCDRN Cc1c(Nc2ccc3c(c2)CCCN3)ccc2c1OCCO2 ZINC001160360010 1132965437 /nfs/dbraw/zinc/96/54/37/1132965437.db2.gz GUEJGUKDTITHMD-UHFFFAOYSA-N 0 0 296.370 3.868 20 10 CHCDRN Cc1cccc(CNc2ncnc(Cl)c2C(C)C)c1O ZINC001160770758 1132980724 /nfs/dbraw/zinc/98/07/24/1132980724.db2.gz DNZVVQNJFTVPJV-UHFFFAOYSA-N 0 0 291.782 3.880 20 10 CHCDRN Cc1cccc(CNc2cc(Cl)ncc2F)c1O ZINC001160769303 1132981261 /nfs/dbraw/zinc/98/12/61/1132981261.db2.gz KMMVYLJMEWQKJC-UHFFFAOYSA-N 0 0 266.703 3.500 20 10 CHCDRN Cc1cc(C)c(CNc2nc(Cl)ncc2Cl)c(O)c1 ZINC001160808132 1132982058 /nfs/dbraw/zinc/98/20/58/1132982058.db2.gz LHOBOIGTHSDJEG-UHFFFAOYSA-N 0 0 298.173 3.718 20 10 CHCDRN Cc1c[nH]c2nc(NCc3c(C)cc(C)cc3O)ccc12 ZINC001160807745 1132982274 /nfs/dbraw/zinc/98/22/74/1132982274.db2.gz BKWXMOKKJWGIAR-UHFFFAOYSA-N 0 0 281.359 3.806 20 10 CHCDRN Cc1cc(C)c(CNc2cc(C)c3cc[nH]c3n2)c(O)c1 ZINC001160810095 1132983189 /nfs/dbraw/zinc/98/31/89/1132983189.db2.gz JBPFCFCBOZSZDO-UHFFFAOYSA-N 0 0 281.359 3.806 20 10 CHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1nnccc1C ZINC001163485934 1133152304 /nfs/dbraw/zinc/15/23/04/1133152304.db2.gz ALTFRDTVSKWDMD-INIZCTEOSA-N 0 0 297.402 3.843 20 10 CHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1cccnn1 ZINC001163487323 1133152825 /nfs/dbraw/zinc/15/28/25/1133152825.db2.gz RQBOXNZZSOVPLN-MRXNPFEDSA-N 0 0 283.375 3.535 20 10 CHCDRN CC(C)Cc1nsc(NCc2cc(Cl)ccc2O)n1 ZINC001163675503 1133164737 /nfs/dbraw/zinc/16/47/37/1133164737.db2.gz HPTXVFAXKNKEKY-UHFFFAOYSA-N 0 0 297.811 3.708 20 10 CHCDRN Cc1ccc(O)c(CNc2ncnc3cccc(C)c32)c1 ZINC001163754882 1133171999 /nfs/dbraw/zinc/17/19/99/1133171999.db2.gz WGXLAEPYRNRWIZ-UHFFFAOYSA-N 0 0 279.343 3.564 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(NCC2(CO)CCC2)cc1 ZINC001164364008 1133215882 /nfs/dbraw/zinc/21/58/82/1133215882.db2.gz ZMKSCNDKINGJML-UHFFFAOYSA-N 0 0 284.403 3.669 20 10 CHCDRN CN(c1ccc(N)cc1)c1cccc(C(=O)C(F)(F)F)c1 ZINC001203347033 1133316210 /nfs/dbraw/zinc/31/62/10/1133316210.db2.gz OGYHBRNYKJKNSZ-UHFFFAOYSA-N 0 0 294.276 3.782 20 10 CHCDRN CCN(CC)c1ccc(CNc2cnn3c2CCCC3)cc1 ZINC001203363684 1133318335 /nfs/dbraw/zinc/31/83/35/1133318335.db2.gz URSDLDCIBGCWBJ-UHFFFAOYSA-N 0 0 298.434 3.678 20 10 CHCDRN C[C@@]1(F)CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC001203650836 1133346648 /nfs/dbraw/zinc/34/66/48/1133346648.db2.gz FFPBAHUGLOUCQY-CQSZACIVSA-N 0 0 271.763 3.760 20 10 CHCDRN C[N@@H+](Cc1cc(Br)ccc1O)C[C@H]1CC1(C)C ZINC001203645344 1133346979 /nfs/dbraw/zinc/34/69/79/1133346979.db2.gz BVLGUSRMLDVEQS-LLVKDONJSA-N 0 0 298.224 3.633 20 10 CHCDRN CC[N@H+](Cc1ccccc1O)Cc1cc(Cl)ccc1O ZINC001203664364 1133351323 /nfs/dbraw/zinc/35/13/23/1133351323.db2.gz AZMJYUVAMHPQMW-UHFFFAOYSA-N 0 0 291.778 3.773 20 10 CHCDRN C[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001204616228 1133467870 /nfs/dbraw/zinc/46/78/70/1133467870.db2.gz QURCIDLFYHTYIU-NSHDSACASA-N 0 0 289.325 3.617 20 10 CHCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001205082294 1133525353 /nfs/dbraw/zinc/52/53/53/1133525353.db2.gz NPJZAVPJZRIZCY-NWDGAFQWSA-N 0 0 281.346 3.683 20 10 CHCDRN C[N@H+](Cc1cccc(Cl)c1)Cc1ccc(F)c(F)c1[O-] ZINC001205216249 1133547182 /nfs/dbraw/zinc/54/71/82/1133547182.db2.gz RHNXNJKHQOKEMU-UHFFFAOYSA-N 0 0 297.732 3.956 20 10 CHCDRN Oc1c(F)cccc1CNc1c[nH]nc1-c1ccccc1 ZINC001205291502 1133555823 /nfs/dbraw/zinc/55/58/23/1133555823.db2.gz LHMBJMXYRFAVPS-UHFFFAOYSA-N 0 0 283.306 3.534 20 10 CHCDRN Cc1ccc(F)c(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])c1 ZINC001205554646 1133586867 /nfs/dbraw/zinc/58/68/67/1133586867.db2.gz IYMWNOWGHWFQPW-UHFFFAOYSA-N 0 0 295.304 3.750 20 10 CHCDRN Cc1cc(O)c(C[NH2+][C@H]2CCCC23CC3)cc1Cl ZINC001207067655 1133764090 /nfs/dbraw/zinc/76/40/90/1133764090.db2.gz UAOVFKNNNLLNNH-AWEZNQCLSA-N 0 0 265.784 3.776 20 10 CHCDRN [O-]c1cccc(F)c1C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001207623887 1133833283 /nfs/dbraw/zinc/83/32/83/1133833283.db2.gz YPMRXRMSQOFLMQ-HZSPNIEDSA-N 0 0 277.383 3.980 20 10 CHCDRN Cc1cc(Nc2ccc3c(c2)OCCN3)ccc1F ZINC001209727487 1134056092 /nfs/dbraw/zinc/05/60/92/1134056092.db2.gz 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/nfs/dbraw/zinc/39/23/94/1132392394.db2.gz HZOYDIZPJNVNHR-GFCCVEGCSA-N 0 0 297.826 3.903 20 10 CHCDRN CN(c1ccc(N)cc1)c1cc(F)cc(F)c1Cl ZINC001215952887 1134728720 /nfs/dbraw/zinc/72/87/20/1134728720.db2.gz BSGHXRWUUMFNPD-UHFFFAOYSA-N 0 0 268.694 3.968 20 10 CHCDRN CSc1cc(F)c(Nc2cccc(O)c2O)c(F)c1 ZINC001215841999 1134701315 /nfs/dbraw/zinc/70/13/15/1134701315.db2.gz AGKHFZDEOHOVJG-UHFFFAOYSA-N 0 0 283.299 3.842 20 10 CHCDRN Cc1csc(COc2ccc(N3CCCC3)cc2)n1 ZINC000121065732 1125555241 /nfs/dbraw/zinc/55/52/41/1125555241.db2.gz PMGJGRDOBKYBJX-UHFFFAOYSA-N 0 0 274.389 3.631 20 10 CHCDRN CC(C)[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000215142692 1125563042 /nfs/dbraw/zinc/56/30/42/1125563042.db2.gz AYJOMQBPYVKITE-HUUCEWRRSA-N 0 0 275.396 3.605 20 10 CHCDRN Cc1cc(Cl)ccc1C(=O)N(C)Cc1ccccc1O ZINC000135034356 1125574231 /nfs/dbraw/zinc/57/42/31/1125574231.db2.gz PEAUOWWIAXPGAQ-UHFFFAOYSA-N 0 0 289.762 3.626 20 10 CHCDRN Cc1noc(C)c1[C@@H](C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886554857 1125690287 /nfs/dbraw/zinc/69/02/87/1125690287.db2.gz FBPIZHBJABQGCU-UWVGGRQHSA-N 0 0 292.354 3.590 20 10 CHCDRN Cc1cccnc1CCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886618514 1125697891 /nfs/dbraw/zinc/69/78/91/1125697891.db2.gz CQPRHEZGOSCJCM-ZDUSSCGKSA-N 0 0 288.366 3.518 20 10 CHCDRN C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1c([O-])cccc1F ZINC000886607551 1125696859 /nfs/dbraw/zinc/69/68/59/1125696859.db2.gz UIYBLGOWIBWZBY-XJFOESAGSA-N 0 0 295.398 3.776 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CC12CCSCC2)c1c([O-])cccc1F ZINC000886627992 1125699374 /nfs/dbraw/zinc/69/93/74/1125699374.db2.gz CAGFAGYTHGXOFY-VXGBXAGGSA-N 0 0 295.423 3.715 20 10 CHCDRN C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1c([O-])cccc1F ZINC000886640383 1125701233 /nfs/dbraw/zinc/70/12/33/1125701233.db2.gz XXOMTEZLKCGDHZ-RKDXNWHRSA-N 0 0 292.181 3.766 20 10 CHCDRN CC(C)OC1(C[NH2+][C@H](C)c2c([O-])cccc2F)CCC1 ZINC000886649570 1125703066 /nfs/dbraw/zinc/70/30/66/1125703066.db2.gz DLXFUWQVBKMLJK-GFCCVEGCSA-N 0 0 281.371 3.530 20 10 CHCDRN C[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)[C@@H]1c1ccccc1 ZINC000886960757 1125727673 /nfs/dbraw/zinc/72/76/73/1125727673.db2.gz CHVLAZPPPUFNQP-DYVFJYSZSA-N 0 0 295.386 3.884 20 10 CHCDRN CC[C@@H]([NH2+]CCF)c1cc(Cl)cc(Cl)c1[O-] ZINC000286849174 1125752078 /nfs/dbraw/zinc/75/20/78/1125752078.db2.gz AIBOQFSQOGGEMG-SNVBAGLBSA-N 0 0 266.143 3.709 20 10 CHCDRN COC(=O)c1cc(CSc2nccs2)c(C)s1 ZINC000121813872 1125779988 /nfs/dbraw/zinc/77/99/88/1125779988.db2.gz JHHXIFHMVVEHDR-UHFFFAOYSA-N 0 0 285.415 3.592 20 10 CHCDRN CCSCCN(CC(C)C)c1ccc(OC)cc1 ZINC000741782933 1129453053 /nfs/dbraw/zinc/45/30/53/1129453053.db2.gz YYVLUPZPTHEASL-UHFFFAOYSA-N 0 0 267.438 3.911 20 10 CHCDRN Cc1cccnc1CNC(=S)Nc1ccc(Cl)cc1 ZINC000244224460 1129197734 /nfs/dbraw/zinc/19/77/34/1129197734.db2.gz WBTVGPXUPWOLEX-UHFFFAOYSA-N 0 0 291.807 3.530 20 10 CHCDRN COc1ccc([C@H](C)[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000158124226 1126747230 /nfs/dbraw/zinc/74/72/30/1126747230.db2.gz JUQIELWBHOPBOE-NSHDSACASA-N 0 0 291.778 3.905 20 10 CHCDRN CC[C@](C)([NH2+]Cc1cccc(Cl)c1[O-])c1nccs1 ZINC000182372054 1126871216 /nfs/dbraw/zinc/87/12/16/1126871216.db2.gz CXZZOZQBOXREEH-AWEZNQCLSA-N 0 0 296.823 3.917 20 10 CHCDRN C[C@@](O)(CNc1ccc(Nc2ccccc2)cc1)C(F)F ZINC000905299391 1126897934 /nfs/dbraw/zinc/89/79/34/1126897934.db2.gz IGTSWVAKXGGSBS-MRXNPFEDSA-N 0 0 292.329 3.858 20 10 CHCDRN Cc1ccc(O)c([C@H](C)Nc2ccc(OC3COC3)cc2)c1 ZINC000188648758 1126924560 /nfs/dbraw/zinc/92/45/60/1126924560.db2.gz ZMXMRQDNNLWBIL-ZDUSSCGKSA-N 0 0 299.370 3.651 20 10 CHCDRN CC(C)n1cc(-c2ccc3ccn(C)c3c2)ccc1=O ZINC001240574831 1126941539 /nfs/dbraw/zinc/94/15/39/1126941539.db2.gz GBLAYDTVOFZLQJ-UHFFFAOYSA-N 0 0 266.344 3.588 20 10 CHCDRN C[C@@H]([NH2+]CCc1ccsc1)c1ccc(F)c(F)c1[O-] ZINC000191192805 1126948773 /nfs/dbraw/zinc/94/87/73/1126948773.db2.gz LJTVFMKCVMVUEX-SECBINFHSA-N 0 0 283.343 3.625 20 10 CHCDRN CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000191634287 1126953883 /nfs/dbraw/zinc/95/38/83/1126953883.db2.gz DYGQLHZOOLZBRY-DJLDLDEBSA-N 0 0 292.206 3.773 20 10 CHCDRN COCCCC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192678289 1126963115 /nfs/dbraw/zinc/96/31/15/1126963115.db2.gz ICHVXWNDWLQAEA-SECBINFHSA-N 0 0 292.206 3.776 20 10 CHCDRN CC(C)Cc1ccc(CC(=O)Nc2ccc(N)cc2)cc1 ZINC000269141886 1127035403 /nfs/dbraw/zinc/03/54/03/1127035403.db2.gz WKLBUJAPYGPWMX-UHFFFAOYSA-N 0 0 282.387 3.649 20 10 CHCDRN Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(N)cc1 ZINC000911660235 1127083878 /nfs/dbraw/zinc/08/38/78/1127083878.db2.gz ILVGTSODVZGCLI-UHFFFAOYSA-N 0 0 272.348 3.720 20 10 CHCDRN Nc1ccc(NC(=O)c2cc(C3CC3)oc2C2CC2)cc1 ZINC000911660542 1127084026 /nfs/dbraw/zinc/08/40/26/1127084026.db2.gz KMYJHIQEXPLNOH-UHFFFAOYSA-N 0 0 282.343 3.869 20 10 CHCDRN CSC[C@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000798181867 1131027942 /nfs/dbraw/zinc/02/79/42/1131027942.db2.gz AOUQHIUNKHORJN-DTWKUNHWSA-N 0 0 293.354 3.813 20 10 CHCDRN C[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc(Cl)c1Cl ZINC001237078524 1131048183 /nfs/dbraw/zinc/04/81/83/1131048183.db2.gz UGTSRYSNWMMFJH-MRVPVSSYSA-N 0 0 260.164 3.683 20 10 CHCDRN COc1ccc2c(c1)CCCN2Cc1cccs1 ZINC000913204209 1127125479 /nfs/dbraw/zinc/12/54/79/1127125479.db2.gz WNKGLWZSPSZNHK-UHFFFAOYSA-N 0 0 259.374 3.710 20 10 CHCDRN CCc1noc(CSc2ncc(C(C)(C)C)s2)n1 ZINC000164084815 1127152328 /nfs/dbraw/zinc/15/23/28/1127152328.db2.gz HEVXZNXJRVLGEA-UHFFFAOYSA-N 0 0 283.422 3.678 20 10 CHCDRN c1csc(SCCCNc2nccc3occc32)n1 ZINC000156409221 1127154848 /nfs/dbraw/zinc/15/48/48/1127154848.db2.gz YNCRRRQTVVFYFU-UHFFFAOYSA-N 0 0 291.401 3.879 20 10 CHCDRN CC(C)c1nccc(NCc2ccc(N3CC=CC3)cc2)n1 ZINC000156712451 1127178649 /nfs/dbraw/zinc/17/86/49/1127178649.db2.gz MADUMGUTUNFEKE-UHFFFAOYSA-N 0 0 294.402 3.588 20 10 CHCDRN Oc1cc(Cl)c(F)cc1CN1Cc2ccc(F)cc2C1 ZINC001237935299 1131153934 /nfs/dbraw/zinc/15/39/34/1131153934.db2.gz CCNFTWOROOBFFU-UHFFFAOYSA-N 0 0 295.716 3.840 20 10 CHCDRN CC[C@H]([NH2+]Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000285860707 1127245627 /nfs/dbraw/zinc/24/56/27/1127245627.db2.gz YJKNNTSXHREFKV-HNNXBMFYSA-N 0 0 259.324 3.772 20 10 CHCDRN CC[C@H]([NH2+]CC1(CCO)CCCC1)c1ccc(F)cc1[O-] ZINC000285955921 1127248867 /nfs/dbraw/zinc/24/88/67/1127248867.db2.gz GKIQFEISQIUJGO-HNNXBMFYSA-N 0 0 295.398 3.515 20 10 CHCDRN Oc1c(Nc2ccncc2Cl)cccc1C(F)(F)F ZINC001212162493 1127249465 /nfs/dbraw/zinc/24/94/65/1127249465.db2.gz QLQDUHOIWZULEV-UHFFFAOYSA-N 0 0 288.656 3.625 20 10 CHCDRN CC[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000286107472 1127258951 /nfs/dbraw/zinc/25/89/51/1127258951.db2.gz MYRTWMXECQMXCG-HIFRSBDPSA-N 0 0 281.371 3.531 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc(F)cc1[O-] ZINC000286290615 1127264687 /nfs/dbraw/zinc/26/46/87/1127264687.db2.gz WMQOTEXNUSGKTN-CQSZACIVSA-N 0 0 294.757 3.821 20 10 CHCDRN CC[C@H](N[C@@H](C)C(F)(F)F)c1ccc(F)cc1O ZINC000287201022 1127296661 /nfs/dbraw/zinc/29/66/61/1127296661.db2.gz DSVVATJGYLSLAZ-XVKPBYJWSA-N 0 0 265.250 3.523 20 10 CHCDRN CC[C@@H](N[C@H](C)C(F)(F)F)c1ccc(C)cc1O ZINC000287247632 1127298156 /nfs/dbraw/zinc/29/81/56/1127298156.db2.gz HRECTXOOCVMKEG-MWLCHTKSSA-N 0 0 261.287 3.692 20 10 CHCDRN Cc1ccc([C@@H](C)N[C@@H](C)C(F)(F)F)c(O)c1C ZINC000287363142 1127302761 /nfs/dbraw/zinc/30/27/61/1127302761.db2.gz OEUQULSACYJQIY-ZJUUUORDSA-N 0 0 261.287 3.610 20 10 CHCDRN CC[C@@H]([NH2+][C@H]1CCCOCC1)c1cccc(Cl)c1[O-] ZINC000287723131 1127312626 /nfs/dbraw/zinc/31/26/26/1127312626.db2.gz ORVFEIIURAXGLS-SMDDNHRTSA-N 0 0 283.799 3.655 20 10 CHCDRN CO[C@@H]1Cc2ccc(N[C@@H](C)c3cc(C)ccc3O)cc2C1 ZINC000760881384 1127312851 /nfs/dbraw/zinc/31/28/51/1127312851.db2.gz IEKILOCMUCHAHW-SUMWQHHRSA-N 0 0 297.398 3.987 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)CSC)c1cccc(Cl)c1[O-] ZINC000287819404 1127313613 /nfs/dbraw/zinc/31/36/13/1127313613.db2.gz VCKSKSJLNVWLIO-SKDRFNHKSA-N 0 0 273.829 3.838 20 10 CHCDRN CC[C@@H]([NH2+]CCOCC1CC1)c1cccc(Cl)c1[O-] ZINC000287762477 1127313723 /nfs/dbraw/zinc/31/37/23/1127313723.db2.gz QYKXLNAJVBWWJC-CQSZACIVSA-N 0 0 283.799 3.513 20 10 CHCDRN Oc1ccc(F)cc1C[NH+]1CCC2(CCCC2)CC1 ZINC000226564521 1127410915 /nfs/dbraw/zinc/41/09/15/1127410915.db2.gz UBGTZHJRKBJGDH-UHFFFAOYSA-N 0 0 263.356 3.688 20 10 CHCDRN Oc1c(Cl)cccc1CNc1cccc(-n2ccnc2)c1 ZINC000158017121 1127414679 /nfs/dbraw/zinc/41/46/79/1127414679.db2.gz WKOPMTUPYZWCAT-UHFFFAOYSA-N 0 0 299.761 3.843 20 10 CHCDRN CC(C)Oc1ncccc1NCc1cccc(Cl)c1O ZINC000158140039 1127451775 /nfs/dbraw/zinc/45/17/75/1127451775.db2.gz HZBJAXCQEYJJML-UHFFFAOYSA-N 0 0 292.766 3.840 20 10 CHCDRN C[C@H](c1ccccn1)[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293558097 1127505452 /nfs/dbraw/zinc/50/54/52/1127505452.db2.gz HTCAVWIIGRCXOP-SNVBAGLBSA-N 0 0 294.757 3.773 20 10 CHCDRN CC[C@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1ccncc1 ZINC000293630690 1127510026 /nfs/dbraw/zinc/51/00/26/1127510026.db2.gz NDSFJLABPAIYPJ-AWEZNQCLSA-N 0 0 294.757 3.821 20 10 CHCDRN Cc1cc(C[N@@H+](C)[C@H](C)c2ccccn2)ccc1N(C)C ZINC000293771702 1127519306 /nfs/dbraw/zinc/51/93/06/1127519306.db2.gz KYWRPFSXLYWHIY-OAHLLOKOSA-N 0 0 283.419 3.649 20 10 CHCDRN COc1cc(Cl)cc(C[N@H+](C)C[C@H]2CC=CCC2)c1O ZINC000761217411 1127536685 /nfs/dbraw/zinc/53/66/85/1127536685.db2.gz UZSPJCGJQCGIKY-LBPRGKRZSA-N 0 0 295.810 3.842 20 10 CHCDRN Cc1cccnc1CCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000296603990 1127677738 /nfs/dbraw/zinc/67/77/38/1127677738.db2.gz VVEICMVJQPVDSP-CYBMUJFWSA-N 0 0 288.366 3.518 20 10 CHCDRN CC(C)[C@@H](CC(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC000297274698 1127692414 /nfs/dbraw/zinc/69/24/14/1127692414.db2.gz SXPGVJMWRLAFOJ-GOSISDBHSA-N 0 0 296.414 3.715 20 10 CHCDRN Oc1cccc2c1[C@H](Nc1ccccc1OCCF)CC2 ZINC000297475489 1127697895 /nfs/dbraw/zinc/69/78/95/1127697895.db2.gz YVEMGXCRRHICJX-CQSZACIVSA-N 0 0 287.334 3.840 20 10 CHCDRN C[C@H]([NH2+]CCc1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000062745902 1127772659 /nfs/dbraw/zinc/77/26/59/1127772659.db2.gz OOFGSEOSSDYEMG-NSHDSACASA-N 0 0 277.314 3.564 20 10 CHCDRN Cc1cccc(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000062748443 1127773761 /nfs/dbraw/zinc/77/37/61/1127773761.db2.gz UNHNIDFZDMPVHJ-ZDUSSCGKSA-N 0 0 273.351 3.733 20 10 CHCDRN CCC1(CC)CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000062960017 1127786103 /nfs/dbraw/zinc/78/61/03/1127786103.db2.gz BQBMKUGRGRRVTB-UHFFFAOYSA-N 0 0 275.396 3.703 20 10 CHCDRN C[C@@H]1CCCC[N@H+](Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237934219 1129222147 /nfs/dbraw/zinc/22/21/47/1129222147.db2.gz JBJVKPNBHXDHCY-SNVBAGLBSA-N 0 0 271.763 3.807 20 10 CHCDRN CCN1CCc2cc(O[C@@H](C)CC(C)(C)OC)ccc21 ZINC001233602498 1127998629 /nfs/dbraw/zinc/99/86/29/1127998629.db2.gz VUTYLWKPTSZUTF-ZDUSSCGKSA-N 0 0 277.408 3.651 20 10 CHCDRN COc1ccc(O)c(CNc2ccc(C3CC3)cc2)c1 ZINC000690167360 1128051490 /nfs/dbraw/zinc/05/14/90/1128051490.db2.gz CRXDISRRXWGIRE-UHFFFAOYSA-N 0 0 269.344 3.890 20 10 CHCDRN Nc1ccc(NC(=O)Cc2ccc(C3CCC3)cc2)cc1 ZINC001121892235 1128081165 /nfs/dbraw/zinc/08/11/65/1128081165.db2.gz KUPXOQCQCNWGQO-UHFFFAOYSA-N 0 0 280.371 3.718 20 10 CHCDRN Oc1cccc(Cl)c1CNc1nc2ccccc2o1 ZINC000777505206 1128094716 /nfs/dbraw/zinc/09/47/16/1128094716.db2.gz MHLVQQRNUHAWEP-UHFFFAOYSA-N 0 0 274.707 3.799 20 10 CHCDRN CCOc1ccc(CNc2cnc(Cl)c(C)c2)c(O)c1 ZINC000777518780 1128099433 /nfs/dbraw/zinc/09/94/33/1128099433.db2.gz BXUJQVIAYDTVBB-UHFFFAOYSA-N 0 0 292.766 3.760 20 10 CHCDRN CCC[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)C(C)C ZINC000152374896 1128118755 /nfs/dbraw/zinc/11/87/55/1128118755.db2.gz VYNUYPJWPWEJQR-TZMCWYRMSA-N 0 0 293.407 3.650 20 10 CHCDRN CC[C@@H](C)C[C@H](CC)Oc1cc(O)c(O)cc1C(C)=O ZINC001234473146 1128194144 /nfs/dbraw/zinc/19/41/44/1128194144.db2.gz CKYOZNGUOAXCLP-PWSUYJOCSA-N 0 0 280.364 3.894 20 10 CHCDRN Cc1ccc(-c2nnc(Sc3nccs3)o2)cc1 ZINC000914862775 1128255709 /nfs/dbraw/zinc/25/57/09/1128255709.db2.gz FHYULXVXKCCCQG-UHFFFAOYSA-N 0 0 275.358 3.653 20 10 CHCDRN CCn1c(Sc2nccs2)nnc1-c1ccccc1 ZINC000914862693 1128256019 /nfs/dbraw/zinc/25/60/19/1128256019.db2.gz NVRIMXZGEBAMQT-UHFFFAOYSA-N 0 0 288.401 3.573 20 10 CHCDRN CC(C)CN(C(=O)/C=C\c1cccnc1)c1ccccc1 ZINC000914513949 1128202401 /nfs/dbraw/zinc/20/24/01/1128202401.db2.gz 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C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000042411896 1118033992 /nfs/dbraw/zinc/03/39/92/1118033992.db2.gz UUEZLWBSMYDVPM-CMPLNLGQSA-N 0 0 298.224 3.823 20 10 CHCDRN O=C(/C=C\c1cncc(F)c1)N(CC1CC1)c1ccccc1 ZINC000255049771 1118044992 /nfs/dbraw/zinc/04/49/92/1118044992.db2.gz SHUGAYRVFHUCSJ-HJWRWDBZSA-N 0 0 296.345 3.677 20 10 CHCDRN Cc1ccccc1[C@@H](C)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001206855258 1118066069 /nfs/dbraw/zinc/06/60/69/1118066069.db2.gz FSGSKCWJFAMUBJ-LLVKDONJSA-N 0 0 277.314 3.830 20 10 CHCDRN CC1=CC[C@@](C)(C(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890760878 1118077705 /nfs/dbraw/zinc/07/77/05/1118077705.db2.gz CNZPDPAFDSUKAW-MRXNPFEDSA-N 0 0 293.794 3.798 20 10 CHCDRN C[C@H]1CSCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000179663767 1128754448 /nfs/dbraw/zinc/75/44/48/1128754448.db2.gz MVMQSBLATFQPPP-QMMMGPOBSA-N 0 0 292.231 3.636 20 10 CHCDRN Cc1ccc(Nc2ccc3c(c2)OCCN3)c(C)c1 ZINC001209728914 1118087589 /nfs/dbraw/zinc/08/75/89/1118087589.db2.gz VNQOQUHPHBOISO-UHFFFAOYSA-N 0 0 254.333 3.851 20 10 CHCDRN CCCN(CCC)c1ccc(C=Cc2nccc(=O)[nH]2)cc1 ZINC000764442782 1118092928 /nfs/dbraw/zinc/09/29/28/1118092928.db2.gz QEHGHKHWIIZMSA-JXMROGBWSA-N 0 0 297.402 3.979 20 10 CHCDRN CCc1ccccc1NC(=S)NNc1ccccc1 ZINC000007350748 1118109451 /nfs/dbraw/zinc/10/94/51/1118109451.db2.gz JYKRLANIKQDVQS-UHFFFAOYSA-N 0 0 271.389 3.563 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)C(C)(C)C ZINC000764894294 1118125179 /nfs/dbraw/zinc/12/51/79/1118125179.db2.gz BZOMXQAQKFQUJI-CQSZACIVSA-N 0 0 290.451 3.783 20 10 CHCDRN C/C=C(/C=C\C(=O)NCc1ccc2c(c1)CCCN2C)CC ZINC000765336366 1118145286 /nfs/dbraw/zinc/14/52/86/1118145286.db2.gz JEGYZUZTVXEHED-DJOBZLNRSA-N 0 0 298.430 3.598 20 10 CHCDRN CC[C@H]([NH2+]C[C@H](C)CC(F)F)c1ccc(F)cc1[O-] ZINC000842892330 1118159100 /nfs/dbraw/zinc/15/91/00/1118159100.db2.gz AYRJCWUZAQCUCA-SKDRFNHKSA-N 0 0 275.314 3.863 20 10 CHCDRN CC[C@@H](Nc1ccc2c(c1)nnn2C)c1ccc(C)cc1O ZINC000842901991 1118162312 /nfs/dbraw/zinc/16/23/12/1118162312.db2.gz RCCMZZOCIBQGNR-CQSZACIVSA-N 0 0 296.374 3.546 20 10 CHCDRN CC(C)(C)c1cnc(SCc2ncccn2)s1 ZINC000188077151 1128759716 /nfs/dbraw/zinc/75/97/16/1128759716.db2.gz SXKYWKSMAPKTSX-UHFFFAOYSA-N 0 0 265.407 3.523 20 10 CHCDRN CC(C)OC1CCC([NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000186160172 1118204180 /nfs/dbraw/zinc/20/41/80/1118204180.db2.gz JHNZFNZFLNEBAU-LRVUVFPRSA-N 0 0 295.398 3.918 20 10 CHCDRN CCC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C ZINC001651097039 1118251611 /nfs/dbraw/zinc/25/16/11/1118251611.db2.gz QOTIWPOEBFARIC-AWEZNQCLSA-N 0 0 280.368 3.605 20 10 CHCDRN C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC001652675027 1118274195 /nfs/dbraw/zinc/27/41/95/1118274195.db2.gz WSTHKIPFUVVQQE-SECBINFHSA-N 0 0 271.763 3.805 20 10 CHCDRN Cc1ccc2c(CC(=O)Nc3ccc(N)cc3)coc2c1 ZINC000237879489 1128768267 /nfs/dbraw/zinc/76/82/67/1128768267.db2.gz OATSYNSEWANCDU-UHFFFAOYSA-N 0 0 280.327 3.505 20 10 CHCDRN Cc1ccccc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000076275531 1128771813 /nfs/dbraw/zinc/77/18/13/1128771813.db2.gz HPRKNMCUQNEQCR-UHFFFAOYSA-N 0 0 296.414 3.568 20 10 CHCDRN CSc1cccc(NC(=O)CSc2nccs2)c1 ZINC000047239421 1118402887 /nfs/dbraw/zinc/40/28/87/1118402887.db2.gz FXYGWGKUATXJQI-UHFFFAOYSA-N 0 0 296.442 3.596 20 10 CHCDRN FC1(F)CCC[C@@H]1NCc1ccc(N2CCCC2)cc1 ZINC000398023382 1118435981 /nfs/dbraw/zinc/43/59/81/1118435981.db2.gz BCCQIHISKNRZSW-HNNXBMFYSA-N 0 0 280.362 3.564 20 10 CHCDRN Cc1c2ccccc2n(C)c1CN[C@H]1CCCC1(F)F ZINC000398106213 1118481793 /nfs/dbraw/zinc/48/17/93/1118481793.db2.gz MRRGSTCKGBBTNI-HNNXBMFYSA-N 0 0 278.346 3.764 20 10 CHCDRN Nc1ccccc1C(=O)Nc1cccc(N2CCCCC2)c1 ZINC000238051581 1128780908 /nfs/dbraw/zinc/78/09/08/1128780908.db2.gz PQIRBFHRJTWRDT-UHFFFAOYSA-N 0 0 295.386 3.511 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)NCC(CC)CC ZINC000160588112 1118488737 /nfs/dbraw/zinc/48/87/37/1118488737.db2.gz APAZTPBGWNYOIM-UHFFFAOYSA-N 0 0 292.423 3.750 20 10 CHCDRN Cc1ccc(N(C)C(=O)/C=C\c2cncc(C)c2)c(C)c1 ZINC000255265741 1118539313 /nfs/dbraw/zinc/53/93/13/1118539313.db2.gz XUIQTLPAELEPEF-VURMDHGXSA-N 0 0 280.371 3.683 20 10 CHCDRN CCC[C@H](CC(C)C)C(=O)N(C)Cc1ccccc1O ZINC000308054801 1118553155 /nfs/dbraw/zinc/55/31/55/1118553155.db2.gz LMAXKHODNPPCHS-CQSZACIVSA-N 0 0 277.408 3.813 20 10 CHCDRN CC[C@H](C)C[N@H+](CC)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000093251805 1118593718 /nfs/dbraw/zinc/59/37/18/1118593718.db2.gz WMBHZYMOWUYRKP-NSHDSACASA-N 0 0 281.371 3.602 20 10 CHCDRN CC(C)(C)SCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296717317 1118607402 /nfs/dbraw/zinc/60/74/02/1118607402.db2.gz IMZFZVFAIAUGMH-LBPRGKRZSA-N 0 0 265.422 3.501 20 10 CHCDRN C[C@H]([NH2+]CCOCC1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000834908238 1118627511 /nfs/dbraw/zinc/62/75/11/1118627511.db2.gz CMDQVNAWLVPIFZ-NSHDSACASA-N 0 0 299.361 3.528 20 10 CHCDRN Cc1cccc(CN2CCc3c4ccccc4[nH]c3C2)c1O ZINC000180531253 1128795579 /nfs/dbraw/zinc/79/55/79/1128795579.db2.gz CDWKZGVMHGSWQV-UHFFFAOYSA-N 0 0 292.382 3.740 20 10 CHCDRN Cc1cccc2c1CN(Cc1ccc(Cl)cc1O)C2 ZINC001140460985 1118718889 /nfs/dbraw/zinc/71/88/89/1118718889.db2.gz AHASTUPHCZOHHJ-UHFFFAOYSA-N 0 0 273.763 3.870 20 10 CHCDRN Oc1cc(Cl)ccc1CN1Cc2ccc(F)cc2C1 ZINC001140466683 1118752383 /nfs/dbraw/zinc/75/23/83/1118752383.db2.gz LCRRICRXHAINRL-UHFFFAOYSA-N 0 0 277.726 3.701 20 10 CHCDRN CC[C@H](C)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000068846489 1128800364 /nfs/dbraw/zinc/80/03/64/1128800364.db2.gz ABGJXLIGPGZFFE-ZDUSSCGKSA-N 0 0 284.403 3.931 20 10 CHCDRN Cc1cc(C(=O)NCC(C)C)c(C)n1-c1cccc(C)c1 ZINC000068927265 1128803374 /nfs/dbraw/zinc/80/33/74/1128803374.db2.gz PSJMTZJGVDSFOK-UHFFFAOYSA-N 0 0 284.403 3.788 20 10 CHCDRN CCc1nc([C@H](C)NCc2ccc(N(C)C)cc2)cs1 ZINC000111406760 1119082388 /nfs/dbraw/zinc/08/23/88/1119082388.db2.gz BXFIQCHDUFSFKQ-LBPRGKRZSA-N 0 0 289.448 3.622 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCCCC1 ZINC000052851193 1119482918 /nfs/dbraw/zinc/48/29/18/1119482918.db2.gz RRSYHLYTCDPBBJ-UHFFFAOYSA-N 0 0 288.435 3.681 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc(F)cc1[O-] ZINC000796665387 1119736965 /nfs/dbraw/zinc/73/69/65/1119736965.db2.gz HYJUZAUGDMHCQE-SMDDNHRTSA-N 0 0 274.339 3.728 20 10 CHCDRN CC(C)(C)c1cnc(SC2CCOCC2)s1 ZINC000181323058 1128865601 /nfs/dbraw/zinc/86/56/01/1128865601.db2.gz LBDQPZHJXZNDDJ-UHFFFAOYSA-N 0 0 257.424 3.712 20 10 CHCDRN C[C@H]1SCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000310388499 1119746259 /nfs/dbraw/zinc/74/62/59/1119746259.db2.gz FNGTXMFVZYFZDD-RDDDGLTNSA-N 0 0 292.231 3.683 20 10 CHCDRN CCC[C@@H](C)CC(=O)N(CCC)Cc1ccccc1O ZINC000066096999 1119826119 /nfs/dbraw/zinc/82/61/19/1119826119.db2.gz SMSXCJSBELGUJX-CQSZACIVSA-N 0 0 277.408 3.957 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)NCC(C)(C)CC ZINC000190778786 1128880182 /nfs/dbraw/zinc/88/01/82/1128880182.db2.gz BQMMFXDAWLBJKM-UHFFFAOYSA-N 0 0 292.423 3.750 20 10 CHCDRN COc1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000311823599 1120109280 /nfs/dbraw/zinc/10/92/80/1120109280.db2.gz FCJFBRXBGXEHLK-AWEZNQCLSA-N 0 0 255.317 3.500 20 10 CHCDRN Cc1cccc(N[C@@H]2CCc3cccc(O)c32)c1F ZINC000311843742 1120113362 /nfs/dbraw/zinc/11/33/62/1120113362.db2.gz HYEABHVVXRMSJW-GFCCVEGCSA-N 0 0 257.308 3.939 20 10 CHCDRN C[C@H]1CCC[C@@H](NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000190971156 1128894018 /nfs/dbraw/zinc/89/40/18/1128894018.db2.gz HHNORWWFVLRLFY-DZGCQCFKSA-N 0 0 290.407 3.502 20 10 CHCDRN Cc1cnc([C@H](C)NCc2ccc3c(c2)CCCO3)s1 ZINC000921817536 1120226079 /nfs/dbraw/zinc/22/60/79/1120226079.db2.gz XXZVAYHUONVCJH-LBPRGKRZSA-N 0 0 288.416 3.627 20 10 CHCDRN C[C@@H]1CC[C@H](C[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000230409380 1120295829 /nfs/dbraw/zinc/29/58/29/1120295829.db2.gz BOQCJKHJGXNUQV-MNOVXSKESA-N 0 0 253.773 3.571 20 10 CHCDRN CC(C)c1cnc(CN(C)Cc2ccccc2O)s1 ZINC000183005722 1120332478 /nfs/dbraw/zinc/33/24/78/1120332478.db2.gz JGVNPMJFWWQIPZ-UHFFFAOYSA-N 0 0 276.405 3.604 20 10 CHCDRN C[C@@H]([NH2+]C1(Cc2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000186585399 1120402261 /nfs/dbraw/zinc/40/22/61/1120402261.db2.gz ASUSBOIDNYVFDP-CYBMUJFWSA-N 0 0 285.362 3.957 20 10 CHCDRN CCc1cc(NC(=O)N(C)Cc2ccccc2O)ccc1C ZINC000182006340 1128920466 /nfs/dbraw/zinc/92/04/66/1128920466.db2.gz VDQCMMFNTPZCJR-UHFFFAOYSA-N 0 0 298.386 3.927 20 10 CHCDRN CCOc1ccc(N[C@@H](C)c2ccccc2O)cc1 ZINC000019902249 1120547043 /nfs/dbraw/zinc/54/70/43/1120547043.db2.gz QABWQRJWUXXQTP-LBPRGKRZSA-N 0 0 257.333 3.964 20 10 CHCDRN CCc1cccc(NCc2ccc(N(C)C)cc2)c1 ZINC000019962052 1120553781 /nfs/dbraw/zinc/55/37/81/1120553781.db2.gz HWPXPASCNQPJLN-UHFFFAOYSA-N 0 0 254.377 3.927 20 10 CHCDRN CC1(C)C[C@@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000124216124 1120652227 /nfs/dbraw/zinc/65/22/27/1120652227.db2.gz OCXKSJFAUOSVCE-OAHLLOKOSA-N 0 0 299.370 3.560 20 10 CHCDRN CN(C[C@@H]1CCOC1)c1ccc(OCc2ccccc2)cc1 ZINC000781960071 1120658207 /nfs/dbraw/zinc/65/82/07/1120658207.db2.gz BGRMQWJMTSTHGH-KRWDZBQOSA-N 0 0 297.398 3.738 20 10 CHCDRN COc1ccc(N(C)Cc2cccn2C2CC2)cc1F ZINC001117744350 1120700660 /nfs/dbraw/zinc/70/06/60/1120700660.db2.gz FXGOUIGTHGVRBV-UHFFFAOYSA-N 0 0 274.339 3.607 20 10 CHCDRN COc1cc(NCc2cccc(F)c2O)ccc1Cl ZINC000228092501 1120785836 /nfs/dbraw/zinc/78/58/36/1120785836.db2.gz CJLDTITUOCAOHG-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN COc1cc(CN(C)c2ccc(OC(C)C)cc2)ccn1 ZINC000759934533 1120903330 /nfs/dbraw/zinc/90/33/30/1120903330.db2.gz XTAHMQLIIIFSJG-UHFFFAOYSA-N 0 0 286.375 3.514 20 10 CHCDRN C[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1ccc2ccccc2c1O ZINC000185368891 1120910704 /nfs/dbraw/zinc/91/07/04/1120910704.db2.gz BVLZCAOZTDLOGE-UONOGXRCSA-N 0 0 298.430 3.679 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)c1ccc(F)cc1[O-] ZINC000282484695 1121021412 /nfs/dbraw/zinc/02/14/12/1121021412.db2.gz HIINGIUJFWQPMW-MLGOLLRUSA-N 0 0 293.382 3.531 20 10 CHCDRN c1csc(SCc2cnn(-c3ccccc3)c2)n1 ZINC000133233281 1121024144 /nfs/dbraw/zinc/02/41/44/1121024144.db2.gz LZMWTXRUKZKBKX-UHFFFAOYSA-N 0 0 273.386 3.621 20 10 CHCDRN Cc1cc(Nc2ccccc2Cc2ccc(N)cc2)n(C)n1 ZINC001174830701 1121049738 /nfs/dbraw/zinc/04/97/38/1121049738.db2.gz HTTOXXJANKNJOE-UHFFFAOYSA-N 0 0 292.386 3.645 20 10 CHCDRN Cn1cccc1C(=O)CSc1ncc(C(C)(C)C)s1 ZINC000164338227 1121051796 /nfs/dbraw/zinc/05/17/96/1121051796.db2.gz BPLDYBAWPZRKAF-UHFFFAOYSA-N 0 0 294.445 3.754 20 10 CHCDRN CCOc1ccc(C)cc1N(C)c1ccc(N)cc1 ZINC001175124369 1121193787 /nfs/dbraw/zinc/19/37/87/1121193787.db2.gz OJDICOAZRAMGPS-UHFFFAOYSA-N 0 0 256.349 3.744 20 10 CHCDRN [O-]c1c(C[NH2+]C[C@H]2CCCCC2(F)F)ccc(F)c1F ZINC000703394135 1121253529 /nfs/dbraw/zinc/25/35/29/1121253529.db2.gz GKWPYGXSRHSHHY-SNVBAGLBSA-N 0 0 291.288 3.586 20 10 CHCDRN Nc1ccc(N(CCO)c2cccc3ccsc32)cc1 ZINC001175383828 1121309038 /nfs/dbraw/zinc/30/90/38/1121309038.db2.gz KBLZGJFVNKAEBT-UHFFFAOYSA-N 0 0 284.384 3.614 20 10 CHCDRN CCCCC[C@@H](NC(=O)Cc1ccc(N)cc1)C(C)(C)C ZINC000236820987 1121366135 /nfs/dbraw/zinc/36/61/35/1121366135.db2.gz VYVQENNECUXWTH-MRXNPFEDSA-N 0 0 290.451 3.923 20 10 CHCDRN Oc1cccc(NC=Cc2ccc(Cl)cc2)c1O ZINC001175598787 1121379086 /nfs/dbraw/zinc/37/90/86/1121379086.db2.gz ANSSFELVUQCRDU-CMDGGOBGSA-N 0 0 261.708 3.834 20 10 CHCDRN CC[N@H+](Cc1cc(Cl)cc(OC)c1O)[C@H](C)C(C)C ZINC000706652499 1121434722 /nfs/dbraw/zinc/43/47/22/1121434722.db2.gz KLMOHIFDHSPQRZ-LLVKDONJSA-N 0 0 285.815 3.921 20 10 CHCDRN COc1ccc(NCc2cc(C)cc(OC)c2O)c(C)c1 ZINC000894117376 1121564739 /nfs/dbraw/zinc/56/47/39/1121564739.db2.gz ODLKOXXFEUWMKH-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN Cc1nc(CN(C)c2ccc(N)cc2)sc1C(C)(C)C ZINC000923399799 1121567169 /nfs/dbraw/zinc/56/71/69/1121567169.db2.gz GEMYDHDGCBCHRF-UHFFFAOYSA-N 0 0 289.448 3.968 20 10 CHCDRN COc1cc(C)cc(CNc2ccc(C)cc2OC)c1O ZINC000894120916 1121570629 /nfs/dbraw/zinc/57/06/29/1121570629.db2.gz SLRYWMAPXCMWMQ-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN CCCN(CCC)c1ccc(CNc2cnn(C)c2)cc1 ZINC000237004189 1121595115 /nfs/dbraw/zinc/59/51/15/1121595115.db2.gz GPWOOCJKXBWFDR-UHFFFAOYSA-N 0 0 286.423 3.659 20 10 CHCDRN Cc1ncc(Nc2cccc3c2C(=O)c2ccccc2-3)cn1 ZINC001176397235 1121624593 /nfs/dbraw/zinc/62/45/93/1121624593.db2.gz DRUGKBCPRWPZLZ-UHFFFAOYSA-N 0 0 287.322 3.740 20 10 CHCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)cc(C)c2)c1 ZINC000728983728 1121733338 /nfs/dbraw/zinc/73/33/38/1121733338.db2.gz DDFQKAUSLVWZPR-CYBMUJFWSA-N 0 0 299.370 3.509 20 10 CHCDRN CCCC[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1O ZINC000727941462 1121755923 /nfs/dbraw/zinc/75/59/23/1121755923.db2.gz WRHHLGWWHVNWLW-HIFRSBDPSA-N 0 0 290.407 3.550 20 10 CHCDRN CC(C)C1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001177933335 1121758125 /nfs/dbraw/zinc/75/81/25/1121758125.db2.gz QKSQNLBCYNYHPF-UHFFFAOYSA-N 0 0 271.763 3.711 20 10 CHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(C)c2C)c1 ZINC000729280307 1121770318 /nfs/dbraw/zinc/77/03/18/1121770318.db2.gz PXWINGWFPQHYLU-ZDUSSCGKSA-N 0 0 299.370 3.509 20 10 CHCDRN CCc1ccc(N(CC)C(=O)/C=C\c2cncc(F)c2)cc1 ZINC000729313172 1121775279 /nfs/dbraw/zinc/77/52/79/1121775279.db2.gz OFCHQFHTCUJMMP-YFHOEESVSA-N 0 0 298.361 3.849 20 10 CHCDRN COc1ncc(C)cc1NCc1cc(Cl)cc(F)c1O ZINC001178263628 1121779679 /nfs/dbraw/zinc/77/96/79/1121779679.db2.gz MMBOYDRDTCWCQF-UHFFFAOYSA-N 0 0 296.729 3.509 20 10 CHCDRN C[C@H]1CC[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC001178624225 1121799871 /nfs/dbraw/zinc/79/98/71/1121799871.db2.gz KFDSAQFZNAHIBH-VHSXEESVSA-N 0 0 271.763 3.711 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)CCC(C)C)cc1F ZINC000731346996 1121864896 /nfs/dbraw/zinc/86/48/96/1121864896.db2.gz GSYCGORMUPRPAQ-UHFFFAOYSA-N 0 0 294.414 3.724 20 10 CHCDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1ccccc1Cl ZINC000731861900 1121887323 /nfs/dbraw/zinc/88/73/23/1121887323.db2.gz RYDPIPLWPGTXQS-QMMMGPOBSA-N 0 0 281.764 3.598 20 10 CHCDRN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C1=CC(=O)CS1 ZINC000731867539 1121890457 /nfs/dbraw/zinc/89/04/57/1121890457.db2.gz MBJNOJITMAJXII-MRVPVSSYSA-N 0 0 297.326 3.565 20 10 CHCDRN CC(C)COc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000732273743 1121914066 /nfs/dbraw/zinc/91/40/66/1121914066.db2.gz BENBDPZCWQKDHS-UHFFFAOYSA-N 0 0 291.372 3.741 20 10 CHCDRN CC[C@H](C)Oc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000732275695 1121915102 /nfs/dbraw/zinc/91/51/02/1121915102.db2.gz IACCQJBKCIJIFF-JTQLQIEISA-N 0 0 291.372 3.883 20 10 CHCDRN C[C@@H](c1c(F)cccc1F)N(C)C(=O)C1=CC(=O)CS1 ZINC000732268714 1121915571 /nfs/dbraw/zinc/91/55/71/1121915571.db2.gz MUZRLYBZXUGOHQ-QMMMGPOBSA-N 0 0 297.326 3.565 20 10 CHCDRN CC[C@H](C)C[C@@H](C)NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180129699 1121949424 /nfs/dbraw/zinc/94/94/24/1121949424.db2.gz COBZGOHGKSPHJU-XMSFRJSPSA-N 0 0 288.435 3.707 20 10 CHCDRN COc1ccc(N(C)CCC(C)(C)C)cc1OC ZINC000732982241 1121950451 /nfs/dbraw/zinc/95/04/51/1121950451.db2.gz OABNJIPJQIGUAV-UHFFFAOYSA-N 0 0 251.370 3.576 20 10 CHCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H]1C ZINC001180198580 1121965395 /nfs/dbraw/zinc/96/53/95/1121965395.db2.gz DWXFECKJFCCYCM-NXEZZACHSA-N 0 0 271.763 3.663 20 10 CHCDRN Oc1cc(Cl)ccc1C[NH2+]C/C=C\c1ccccc1 ZINC001180332189 1121980934 /nfs/dbraw/zinc/98/09/34/1121980934.db2.gz OMJIFTJYOHGSDN-DAXSKMNVSA-N 0 0 273.763 3.849 20 10 CHCDRN C[C@@H]([NH2+]CC1CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192645973 1129022681 /nfs/dbraw/zinc/02/26/81/1129022681.db2.gz OXMWJIGZVIYFMF-SSDOTTSWSA-N 0 0 260.164 3.760 20 10 CHCDRN Cc1nnsc1[C@H](C)Sc1ncc(Cl)s1 ZINC000901583093 1129022845 /nfs/dbraw/zinc/02/28/45/1129022845.db2.gz QFWAAUDGOLJWKB-YFKPBYRVSA-N 0 0 277.827 3.810 20 10 CHCDRN Cc1nnc([C@@H](C)NCc2cc(C(C)C)ccc2O)s1 ZINC001180687276 1122008428 /nfs/dbraw/zinc/00/84/28/1122008428.db2.gz OQPWTTGTFMAETJ-SNVBAGLBSA-N 0 0 291.420 3.526 20 10 CHCDRN Cc1cccc2c1N(Cc1cccc(Cl)c1O)CC2 ZINC001180757716 1122012506 /nfs/dbraw/zinc/01/25/06/1122012506.db2.gz AIGDDEBRMNAYRF-UHFFFAOYSA-N 0 0 273.763 3.917 20 10 CHCDRN CN(c1ccc(N)cc1)c1cc(Cl)c(O)cc1F ZINC001250027412 1122094481 /nfs/dbraw/zinc/09/44/81/1122094481.db2.gz XVWKAIFVBZYIBI-UHFFFAOYSA-N 0 0 266.703 3.535 20 10 CHCDRN Oc1ccc(Cl)cc1CN1CCc2cc(F)ccc2C1 ZINC000779598367 1129031516 /nfs/dbraw/zinc/03/15/16/1129031516.db2.gz GTRWHNVVMKQNOR-UHFFFAOYSA-N 0 0 291.753 3.743 20 10 CHCDRN C[C@@H](NC(=O)Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000774019121 1122119050 /nfs/dbraw/zinc/11/90/50/1122119050.db2.gz WDAHJDXGMUNGJY-CYBMUJFWSA-N 0 0 283.375 3.635 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC=CCC2)cc1 ZINC000079390001 1129032295 /nfs/dbraw/zinc/03/22/95/1129032295.db2.gz PLGXFAYEXMBCGB-MRXNPFEDSA-N 0 0 286.419 3.505 20 10 CHCDRN COCC1([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000774304758 1122151859 /nfs/dbraw/zinc/15/18/59/1122151859.db2.gz YFEKXPIBLNDDLH-QMMMGPOBSA-N 0 0 290.190 3.529 20 10 CHCDRN C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774355519 1122160561 /nfs/dbraw/zinc/16/05/61/1122160561.db2.gz TYZWQLPWYBDPQQ-VGMNWLOBSA-N 0 0 292.206 3.509 20 10 CHCDRN Oc1ccc(F)cc1CN1CCc2sc(Cl)cc2C1 ZINC001182574618 1122176134 /nfs/dbraw/zinc/17/61/34/1122176134.db2.gz QKKVCOOUNWJZMJ-UHFFFAOYSA-N 0 0 297.782 3.805 20 10 CHCDRN CCc1nn(C)cc1N[C@@H](CC)c1ccc(N(C)C)cc1 ZINC000271950704 1122184897 /nfs/dbraw/zinc/18/48/97/1122184897.db2.gz BZSQECSOEGPNID-HNNXBMFYSA-N 0 0 286.423 3.612 20 10 CHCDRN C/C=C/C[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001183168707 1122211942 /nfs/dbraw/zinc/21/19/42/1122211942.db2.gz AHFYLVADGLGLBD-IBUXWKBASA-N 0 0 263.356 3.710 20 10 CHCDRN Cc1ccc2c(c1C)OC[C@H]2[NH2+][C@H](C)c1ccccc1O ZINC000272843627 1122214347 /nfs/dbraw/zinc/21/43/47/1122214347.db2.gz JYLAUQQHVUISEG-CZUORRHYSA-N 0 0 283.371 3.793 20 10 CHCDRN Oc1cccc2c1CN(C/C=C/c1ccc(F)cc1F)C2 ZINC001183453600 1122223811 /nfs/dbraw/zinc/22/38/11/1122223811.db2.gz GJTKTCSQRVCXRA-DUXPYHPUSA-N 0 0 287.309 3.699 20 10 CHCDRN Cc1cc(Cl)ccc1CN1Cc2cccc(O)c2C1 ZINC001183455744 1122224746 /nfs/dbraw/zinc/22/47/46/1122224746.db2.gz XQMNDIYQFUJNSN-UHFFFAOYSA-N 0 0 273.763 3.870 20 10 CHCDRN C[C@@H](CCC(C)(C)C)C(=O)N(C)Cc1ccccc1O ZINC000273366488 1122230561 /nfs/dbraw/zinc/23/05/61/1122230561.db2.gz BGSCOGVVJITEQY-ZDUSSCGKSA-N 0 0 277.408 3.813 20 10 CHCDRN C[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000273496069 1122236725 /nfs/dbraw/zinc/23/67/25/1122236725.db2.gz PBLWQMKHWSREIC-RYUDHWBXSA-N 0 0 286.331 3.712 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000273528124 1122237691 /nfs/dbraw/zinc/23/76/91/1122237691.db2.gz VVBMXAJOQJMKTF-NORZTCDRSA-N 0 0 295.398 3.776 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC001184265298 1122266023 /nfs/dbraw/zinc/26/60/23/1122266023.db2.gz SEYDUVRXNARWQF-GXTWGEPZSA-N 0 0 265.784 3.714 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC001184265301 1122266138 /nfs/dbraw/zinc/26/61/38/1122266138.db2.gz SEYDUVRXNARWQF-OCCSQVGLSA-N 0 0 265.784 3.714 20 10 CHCDRN C[C@@H](Nc1cnn(C(C)(C)C)c1)c1ccc(N(C)C)cc1 ZINC000183394603 1129051157 /nfs/dbraw/zinc/05/11/57/1129051157.db2.gz KJVQXNIYJWOVJU-CYBMUJFWSA-N 0 0 286.423 3.877 20 10 CHCDRN C[C@@H]([NH2+]CCCF)c1cc(Cl)c(Cl)cc1[O-] ZINC000193027973 1129051709 /nfs/dbraw/zinc/05/17/09/1129051709.db2.gz HOBGZINUEXQETO-SSDOTTSWSA-N 0 0 266.143 3.709 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1ccc2ccccc2c1O ZINC000319798444 1122411917 /nfs/dbraw/zinc/41/19/17/1122411917.db2.gz ANXLDSVOVFWBLO-LZWOXQAQSA-N 0 0 299.414 3.747 20 10 CHCDRN CCc1ccccc1NC(=O)NCc1c(C)cc(C)cc1O ZINC001187655991 1122436259 /nfs/dbraw/zinc/43/62/59/1122436259.db2.gz HOQFCNOUJCTTSF-UHFFFAOYSA-N 0 0 298.386 3.893 20 10 CHCDRN O=c1oc2ccccc2cc1CSc1nccs1 ZINC001188660695 1122471112 /nfs/dbraw/zinc/47/11/12/1122471112.db2.gz SHIUJCLCBBZFHT-UHFFFAOYSA-N 0 0 275.354 3.542 20 10 CHCDRN O=C(Nc1cccc(O)c1O)Nc1cccc2ccccc21 ZINC001188936785 1122480900 /nfs/dbraw/zinc/48/09/00/1122480900.db2.gz SACYWACIFZVNGI-UHFFFAOYSA-N 0 0 294.310 3.895 20 10 CHCDRN Cc1ccc(O)c(CNc2ccc(N(C)C)cc2C)c1 ZINC000071407220 1129060075 /nfs/dbraw/zinc/06/00/75/1129060075.db2.gz YCAGTYLLYPYHBZ-UHFFFAOYSA-N 0 0 270.376 3.687 20 10 CHCDRN CC(=O)Nc1ccc(C)c(NCc2cc(C)ccc2O)c1 ZINC000071407814 1129062274 /nfs/dbraw/zinc/06/22/74/1129062274.db2.gz WDVSERLABBNXEJ-UHFFFAOYSA-N 0 0 284.359 3.580 20 10 CHCDRN CCN(C[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(OC)c(OC)c1 ZINC001192099353 1122629737 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/nfs/dbraw/zinc/27/30/77/1123273077.db2.gz NDGYAKIBBMJZKX-IUODEOHRSA-N 0 0 288.366 3.771 20 10 CHCDRN CSCC1(CC[NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000850506101 1123275919 /nfs/dbraw/zinc/27/59/19/1123275919.db2.gz FOOFDYNZIRYZJQ-NSHDSACASA-N 0 0 283.412 3.715 20 10 CHCDRN CC[C@@H]([NH2+][C@@H]1C=CCC1)c1cccc(Cl)c1[O-] ZINC000850507535 1123277151 /nfs/dbraw/zinc/27/71/51/1123277151.db2.gz JQZFGFGTJMASJP-ZWNOBZJWSA-N 0 0 251.757 3.805 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1cscn1)c1ccc(F)cc1[O-] ZINC000850511826 1123278290 /nfs/dbraw/zinc/27/82/90/1123278290.db2.gz NYMSIYLOIVXHAS-CABZTGNLSA-N 0 0 280.368 3.790 20 10 CHCDRN CC[C@@H](O)C[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000850530319 1123284828 /nfs/dbraw/zinc/28/48/28/1123284828.db2.gz XGRZQOSTGLHALP-KCJUWKMLSA-N 0 0 292.206 3.511 20 10 CHCDRN CCSC1(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000850553174 1123290089 /nfs/dbraw/zinc/29/00/89/1123290089.db2.gz TTZYDSHASILIEB-SNVBAGLBSA-N 0 0 285.840 3.982 20 10 CHCDRN C[C@@H]([NH2+]CCCc1ccco1)c1ccc(Cl)cc1[O-] ZINC000850569690 1123293983 /nfs/dbraw/zinc/29/39/83/1123293983.db2.gz MPRCDLDXVRVPFO-LLVKDONJSA-N 0 0 279.767 3.922 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)c1nccn1C)c1cccc(Cl)c1[O-] ZINC000850572664 1123295112 /nfs/dbraw/zinc/29/51/12/1123295112.db2.gz NCLPFNPJTQIORY-GXFFZTMASA-N 0 0 293.798 3.581 20 10 CHCDRN CC[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1cccc(Cl)c1[O-] ZINC000850571284 1123295694 /nfs/dbraw/zinc/29/56/94/1123295694.db2.gz OXRFMOSEDDCLDL-RISCZKNCSA-N 0 0 297.826 3.901 20 10 CHCDRN CC1(C)CC(C(=O)NCc2ccc(N)cc2)CC(C)(C)C1 ZINC000850711686 1123297029 /nfs/dbraw/zinc/29/70/29/1123297029.db2.gz QPYCSZHNBXHENY-UHFFFAOYSA-N 0 0 288.435 3.738 20 10 CHCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccccc1 ZINC000080612751 1129113372 /nfs/dbraw/zinc/11/33/72/1129113372.db2.gz KDANKSIYJZWBCH-UHFFFAOYSA-N 0 0 296.370 3.593 20 10 CHCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])c1cccnc1 ZINC000020127753 1123361827 /nfs/dbraw/zinc/36/18/27/1123361827.db2.gz BAOYVYQTWKBBIK-SECBINFHSA-N 0 0 297.185 3.945 20 10 CHCDRN COc1ccc(N(Cc2conc2C)CC(C)C)cc1 ZINC000851829598 1123383606 /nfs/dbraw/zinc/38/36/06/1123383606.db2.gz IYGWZQLTHMIBPC-UHFFFAOYSA-N 0 0 274.364 3.654 20 10 CHCDRN CC[C@@H](CC(F)F)CN(C)c1ccc(OC)cc1OC ZINC000851864607 1123385565 /nfs/dbraw/zinc/38/55/65/1123385565.db2.gz FZIUJSWFYOBXPA-NSHDSACASA-N 0 0 287.350 3.821 20 10 CHCDRN COc1ccc(N(Cc2cncs2)CC2CC2)cc1 ZINC000852135238 1123398085 /nfs/dbraw/zinc/39/80/85/1123398085.db2.gz LOJLLPKZOFJVDB-UHFFFAOYSA-N 0 0 274.389 3.568 20 10 CHCDRN Cc1nc(C)c(COc2ccc3c(c2)c(C)c(C)n3C)o1 ZINC000853726517 1123449545 /nfs/dbraw/zinc/44/95/45/1123449545.db2.gz XCWIDQWOYSWTPN-UHFFFAOYSA-N 0 0 284.359 3.979 20 10 CHCDRN CCCC[C@@](C)(F)c1nc(Cc2ccc(N)cc2)no1 ZINC000854133759 1123470245 /nfs/dbraw/zinc/47/02/45/1123470245.db2.gz JNFZWTUWNUEBCH-OAHLLOKOSA-N 0 0 277.343 3.618 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCC1(C)C ZINC000854373138 1123483646 /nfs/dbraw/zinc/48/36/46/1123483646.db2.gz BOVRTNHFIBSAIR-OAHLLOKOSA-N 0 0 289.419 3.957 20 10 CHCDRN Cc1ncsc1/C=C/C(=O)N1CC(C)(C)c2ccccc21 ZINC000776866936 1123544620 /nfs/dbraw/zinc/54/46/20/1123544620.db2.gz RGMNKBBIUUIBLC-CMDGGOBGSA-N 0 0 298.411 3.789 20 10 CHCDRN COc1ccc(F)c(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000857082698 1123585771 /nfs/dbraw/zinc/58/57/71/1123585771.db2.gz XAZKRQQEIJFKAM-SNVBAGLBSA-N 0 0 293.313 3.530 20 10 CHCDRN CCC(CC)CCCN(C)C(=O)c1c(F)ccc(O)c1O ZINC000857332248 1123596491 /nfs/dbraw/zinc/59/64/91/1123596491.db2.gz OPOLKIADXMNDSO-UHFFFAOYSA-N 0 0 297.370 3.525 20 10 CHCDRN C[C@@H](CC1CCCC1)C(=O)NCc1cc(Cl)ccc1O ZINC000857547819 1123606497 /nfs/dbraw/zinc/60/64/97/1123606497.db2.gz VEBKEWBDTKQMMZ-NSHDSACASA-N 0 0 295.810 3.878 20 10 CHCDRN CC(C)(C)CN(C(=O)/C=C\c1cnccn1)c1ccccc1 ZINC000776975005 1123619378 /nfs/dbraw/zinc/61/93/78/1123619378.db2.gz PPQCMPCXTZQYPE-KTKRTIGZSA-N 0 0 295.386 3.569 20 10 CHCDRN CCC[C@H](C[NH2+][C@H](CC)c1ccc(F)cc1[O-])OCC ZINC000858451092 1123655338 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CN(C)c1ccc(CNC(=O)/C=C/C2CCCCC2)cc1 ZINC000117581542 1123738010 /nfs/dbraw/zinc/73/80/10/1123738010.db2.gz BVZXCVLLOWAWOU-JLHYYAGUSA-N 0 0 286.419 3.505 20 10 CHCDRN C[C@H](NC(=O)[C@@H]1CCCC12CC2)c1ccc(N(C)C)cc1 ZINC000860950883 1123760372 /nfs/dbraw/zinc/76/03/72/1123760372.db2.gz TYTDWPVUMLHJAN-BBRMVZONSA-N 0 0 286.419 3.510 20 10 CHCDRN Cc1cc(O)c(CN2Cc3ccc(O)cc3C2)cc1Cl ZINC000862450859 1123811260 /nfs/dbraw/zinc/81/12/60/1123811260.db2.gz CNOLULQXAZQDJP-UHFFFAOYSA-N 0 0 289.762 3.575 20 10 CHCDRN CCCNC(=O)c1cccc(N[C@H](C)c2ccccc2O)c1 ZINC000192716146 1123813076 /nfs/dbraw/zinc/81/30/76/1123813076.db2.gz HLBJLANLTLXYSE-CYBMUJFWSA-N 0 0 298.386 3.705 20 10 CHCDRN COc1cccc2c1CN(Cc1c(O)cccc1Cl)C2 ZINC000862528875 1123816151 /nfs/dbraw/zinc/81/61/51/1123816151.db2.gz DNIBGPKPQRXLFZ-UHFFFAOYSA-N 0 0 289.762 3.570 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)C2(C)CCC(F)(F)CC2)c1 ZINC000862753699 1123827961 /nfs/dbraw/zinc/82/79/61/1123827961.db2.gz FZJIGRRCSGLRMF-UHFFFAOYSA-N 0 0 297.345 3.532 20 10 CHCDRN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CS[C@@H](C)C2)c1O ZINC000840859822 1123861299 /nfs/dbraw/zinc/86/12/99/1123861299.db2.gz MXXMYTYNWCHTLQ-NHCYSSNCSA-N 0 0 285.840 3.899 20 10 CHCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1cccc(F)n1 ZINC000301104168 1123874649 /nfs/dbraw/zinc/87/46/49/1123874649.db2.gz POADZQGDANPTLU-UHFFFAOYSA-N 0 0 299.393 3.847 20 10 CHCDRN CCc1nc(C(C)C)ccc1CN(C)c1ccc(N)cc1 ZINC000863558603 1123875324 /nfs/dbraw/zinc/87/53/24/1123875324.db2.gz OTXDDLNZBMPSOT-UHFFFAOYSA-N 0 0 283.419 3.986 20 10 CHCDRN CN(CCCc1c(F)cccc1F)c1ccc(N)cc1 ZINC000863558780 1123875328 /nfs/dbraw/zinc/87/53/28/1123875328.db2.gz XJRQLKVXICHVTO-UHFFFAOYSA-N 0 0 276.330 3.616 20 10 CHCDRN C[C@@H](Nc1cc(F)cc(N(C)C)c1)c1ccc(F)cc1O ZINC000864024710 1123910866 /nfs/dbraw/zinc/91/08/66/1123910866.db2.gz GGOOAZYJSASUDS-SNVBAGLBSA-N 0 0 292.329 3.910 20 10 CHCDRN COc1ccc(NCc2c(O)ccc(Cl)c2F)c(F)c1 ZINC000864042337 1123912722 /nfs/dbraw/zinc/91/27/22/1123912722.db2.gz GQTAMHYQSXIBGB-UHFFFAOYSA-N 0 0 299.704 3.945 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3.868 20 10 CHCDRN COc1cccc([C@H](C)Oc2ccc(N(C)C)cc2)c1 ZINC001227939273 1124065372 /nfs/dbraw/zinc/06/53/72/1124065372.db2.gz QNGRCXJZBDARTF-ZDUSSCGKSA-N 0 0 271.360 3.901 20 10 CHCDRN Cc1ccc(C)c(SCC(=O)c2ccc(O)c(O)c2)c1 ZINC000034980050 1124072058 /nfs/dbraw/zinc/07/20/58/1124072058.db2.gz RFWDOEJBNRUVSH-UHFFFAOYSA-N 0 0 288.368 3.690 20 10 CHCDRN C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000866491203 1124072660 /nfs/dbraw/zinc/07/26/60/1124072660.db2.gz NKJLSIULAKYXNE-YMRXKLBXSA-N 0 0 293.382 3.530 20 10 CHCDRN C[C@H]([NH2+]CCSCCC(F)(F)F)c1ccccc1O ZINC000866543149 1124081278 /nfs/dbraw/zinc/08/12/78/1124081278.db2.gz MHXKSKSWPNFDAF-JTQLQIEISA-N 0 0 293.354 3.728 20 10 CHCDRN CC[C@H](C[C@@H](C)O)[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000866634540 1124092018 /nfs/dbraw/zinc/09/20/18/1124092018.db2.gz SGQQZLNRZVOQGG-JTNHKYCSSA-N 0 0 285.815 3.636 20 10 CHCDRN COc1ccc(N(Cc2cccnc2)[C@@H](C)C2CC2)cc1 ZINC000121194907 1124094500 /nfs/dbraw/zinc/09/45/00/1124094500.db2.gz 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C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1cc(F)ccc1O ZINC000695135304 1130792782 /nfs/dbraw/zinc/79/27/82/1130792782.db2.gz CFPZQVUYGIBMQC-GXSJLCMTSA-N 0 0 273.298 3.760 20 10 CHCDRN Cc1ccoc1C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000814175449 1130834123 /nfs/dbraw/zinc/83/41/23/1130834123.db2.gz UXVACMBMZYAPAK-UHFFFAOYSA-N 0 0 283.730 3.718 20 10 CHCDRN C[C@H](NC(=O)[C@H](c1ccccc1)C1CC1)c1ccccc1O ZINC000827969587 1130855579 /nfs/dbraw/zinc/85/55/79/1130855579.db2.gz PQGAOCQXQSPYRP-SCLBCKFNSA-N 0 0 295.382 3.763 20 10 CHCDRN CCN(C(=O)/C=C/c1cnccc1C)c1cccc(C)c1 ZINC000783878991 1130860785 /nfs/dbraw/zinc/86/07/85/1130860785.db2.gz YQFVKUFLXCSXJE-CMDGGOBGSA-N 0 0 280.371 3.765 20 10 CHCDRN CN(C)c1ccc(C2=CCCOC2)c2ccccc21 ZINC001245157415 1130868977 /nfs/dbraw/zinc/86/89/77/1130868977.db2.gz GXXXSRHRWHVAAW-UHFFFAOYSA-N 0 0 253.345 3.710 20 10 CHCDRN CC(C)Oc1ccc(N(C)CCC2CCOCC2)cc1 ZINC000814633243 1130889205 /nfs/dbraw/zinc/88/92/05/1130889205.db2.gz IWIXXCBEZHPZHD-UHFFFAOYSA-N 0 0 277.408 3.727 20 10 CHCDRN COc1ccc(N(CCC2CCOCC2)C(C)C)cc1F ZINC000814627887 1130890184 /nfs/dbraw/zinc/89/01/84/1130890184.db2.gz WWFOAFNUZUISQQ-UHFFFAOYSA-N 0 0 295.398 3.866 20 10 CHCDRN CC[C@@H]([NH2+]CCc1cccs1)c1ccc(F)cc1[O-] ZINC000796670210 1130922425 /nfs/dbraw/zinc/92/24/25/1130922425.db2.gz BVIGCNSAXDIPMM-CQSZACIVSA-N 0 0 279.380 3.876 20 10 CHCDRN CC[C@@H]([NH2+]CCc1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000796677855 1130923962 /nfs/dbraw/zinc/92/39/62/1130923962.db2.gz XKLZSTCSVRUFJI-MRXNPFEDSA-N 0 0 291.341 3.954 20 10 CHCDRN CN(Cc1ccccc1O)c1cncc(-c2cccs2)n1 ZINC000814868105 1130926888 /nfs/dbraw/zinc/92/68/88/1130926888.db2.gz KNGGVVWQEMPSIC-UHFFFAOYSA-N 0 0 297.383 3.547 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000796753828 1130928354 /nfs/dbraw/zinc/92/83/54/1130928354.db2.gz NQXRNLMPDKIALN-WBVHZDCISA-N 0 0 295.398 3.513 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccc(F)cc1[O-] ZINC000796744718 1130928391 /nfs/dbraw/zinc/92/83/91/1130928391.db2.gz ASGXKMGAOBGGCP-SUMWQHHRSA-N 0 0 285.362 3.912 20 10 CHCDRN CC[C@@H]([NH2+]CCNc1ccccc1)c1ccc(F)cc1[O-] ZINC000796793590 1130933018 /nfs/dbraw/zinc/93/30/18/1130933018.db2.gz OJDRYSDTAJGKKB-MRXNPFEDSA-N 0 0 288.366 3.684 20 10 CHCDRN CC[C@@H]([NH2+]C1CCC(O)(CC)CC1)c1ccc(F)cc1[O-] ZINC000796796224 1130933133 /nfs/dbraw/zinc/93/31/33/1130933133.db2.gz CGAHWINHOZTPAT-GNHJJJEISA-N 0 0 295.398 3.656 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1[O-])[C@@H]1CCCO1 ZINC000796850403 1130938884 /nfs/dbraw/zinc/93/88/84/1130938884.db2.gz ZNYNRFTUDUBPPV-LZWOXQAQSA-N 0 0 281.371 3.530 20 10 CHCDRN CC[C@H](Nc1ccc(C)nc1)c1ccc(F)cc1O ZINC000796885015 1130942231 /nfs/dbraw/zinc/94/22/31/1130942231.db2.gz DUBDHLHKYVQEFT-AWEZNQCLSA-N 0 0 260.312 3.798 20 10 CHCDRN CC[C@H](Nc1cnn(CC(C)C)c1)c1ccc(F)cc1O ZINC000796888271 1130942434 /nfs/dbraw/zinc/94/24/34/1130942434.db2.gz BUWROCGJFQJMNT-HNNXBMFYSA-N 0 0 291.370 3.947 20 10 CHCDRN CC[C@@H]([NH2+]CCC=C(C)C)c1ccc(F)cc1[O-] ZINC000796967092 1130950018 /nfs/dbraw/zinc/95/00/18/1130950018.db2.gz NZMRSMVPVJZFHE-CQSZACIVSA-N 0 0 251.345 3.928 20 10 CHCDRN CC[C@](C)(NCc1ccc(N(C)C)c(C)c1)C(F)(F)F ZINC000815070789 1130956510 /nfs/dbraw/zinc/95/65/10/1130956510.db2.gz DOFLTZKLNDDCNG-AWEZNQCLSA-N 0 0 288.357 3.882 20 10 CHCDRN CN(C)c1ccc(CNc2cccc(C3CC3)n2)cc1 ZINC000815144378 1130966515 /nfs/dbraw/zinc/96/65/15/1130966515.db2.gz YSKDJWAWYBTUEN-UHFFFAOYSA-N 0 0 267.376 3.637 20 10 CHCDRN CN(C)c1ccc(CNCC(C)(F)F)c(C(F)(F)F)c1 ZINC000815146978 1130967527 /nfs/dbraw/zinc/96/75/27/1130967527.db2.gz NPIMXDYTRYAXLO-UHFFFAOYSA-N 0 0 296.283 3.516 20 10 CHCDRN Cc1cnn(-c2ccccc2F)c1Nc1ccc(N)cc1 ZINC001159365319 1130989799 /nfs/dbraw/zinc/98/97/99/1130989799.db2.gz DGBCULWDKMXADB-UHFFFAOYSA-N 0 0 282.322 3.646 20 10 CHCDRN CCc1cccc(NC(=S)NCc2cc(CC)ccn2)c1 ZINC000797793158 1131003131 /nfs/dbraw/zinc/00/31/31/1131003131.db2.gz LMRNTJPGUZOQOU-UHFFFAOYSA-N 0 0 299.443 3.693 20 10 CHCDRN Oc1cc(Cl)c(Cl)cc1CN1CCC[C@H](F)C1 ZINC001236795602 1131008371 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COc1ccc(N[C@H](C)c2c(C)cc(C)cc2O)nc1 ZINC000815606883 1131013171 /nfs/dbraw/zinc/01/31/71/1131013171.db2.gz JPOMFKJEIDVODJ-GFCCVEGCSA-N 0 0 272.348 3.586 20 10 CHCDRN C[C@H](NCC(C)(F)F)c1ccc(N2CCCCC2)cc1 ZINC000815644626 1131015557 /nfs/dbraw/zinc/01/55/57/1131015557.db2.gz HPSQCLLCRJJMPO-ZDUSSCGKSA-N 0 0 282.378 3.983 20 10 CHCDRN CC(C)C1([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000815647802 1131016449 /nfs/dbraw/zinc/01/64/49/1131016449.db2.gz VQORWCGVJHWKSX-SECBINFHSA-N 0 0 255.308 3.510 20 10 CHCDRN CC(C)C1([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000815647803 1131017178 /nfs/dbraw/zinc/01/71/78/1131017178.db2.gz VQORWCGVJHWKSX-VIFPVBQESA-N 0 0 255.308 3.510 20 10 CHCDRN CO[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2O)CC1 ZINC001237047848 1131039663 /nfs/dbraw/zinc/03/96/63/1131039663.db2.gz AIKABYRNMCBZDY-INIZCTEOSA-N 0 0 277.408 3.517 20 10 CHCDRN CC(C)c1ccc(C[N@@H+]2CCC3(CCC3)C2)c(O)c1 ZINC001237048879 1131041399 /nfs/dbraw/zinc/04/13/99/1131041399.db2.gz JLOIMGRYAYKULO-UHFFFAOYSA-N 0 0 259.393 3.892 20 10 CHCDRN CC(C)c1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c(O)c1 ZINC001237046572 1131041655 /nfs/dbraw/zinc/04/16/55/1131041655.db2.gz UCWYONIQVHLOJI-AEFFLSMTSA-N 0 0 289.419 3.517 20 10 CHCDRN Oc1ccc(Cl)c(Cl)c1CN1CCC[C@H](F)C1 ZINC001237083215 1131047656 /nfs/dbraw/zinc/04/76/56/1131047656.db2.gz ZZZBNSSCQUZZPP-QMMMGPOBSA-N 0 0 278.154 3.633 20 10 CHCDRN C[C@@H]1CC[N@H+](Cc2c(O)ccc(F)c2Cl)[C@@H](C)C1 ZINC001237123006 1131056638 /nfs/dbraw/zinc/05/66/38/1131056638.db2.gz AUFVOHXOBXLEPY-ZJUUUORDSA-N 0 0 271.763 3.805 20 10 CHCDRN C[C@H]1C[N@H+](Cc2cc(C(F)(F)F)ccc2O)C2(CC2)C1 ZINC001237144029 1131058778 /nfs/dbraw/zinc/05/87/78/1131058778.db2.gz NTXLVPUZONHVJQ-SNVBAGLBSA-N 0 0 285.309 3.785 20 10 CHCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C1CCCC1 ZINC000816483261 1131098308 /nfs/dbraw/zinc/09/83/08/1131098308.db2.gz LTPWIUMKXGHIMI-UHFFFAOYSA-N 0 0 257.736 3.559 20 10 CHCDRN CC1(C)CCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816499666 1131101566 /nfs/dbraw/zinc/10/15/66/1131101566.db2.gz WTZIOUREWXFPLK-UHFFFAOYSA-N 0 0 257.736 3.559 20 10 CHCDRN Cc1cccc(O)c1CN1CCCC[C@@H]1C(F)(F)F ZINC001237489820 1131104415 /nfs/dbraw/zinc/10/44/15/1131104415.db2.gz LDWXRQYFJFNOBB-CYBMUJFWSA-N 0 0 273.298 3.617 20 10 CHCDRN CC[C@H](C)[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816539550 1131105890 /nfs/dbraw/zinc/10/58/90/1131105890.db2.gz KUSVVTCLDICJFK-IUCAKERBSA-N 0 0 259.752 3.709 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000816548317 1131107379 /nfs/dbraw/zinc/10/73/79/1131107379.db2.gz CRLIWDFQPKRWGO-LLVKDONJSA-N 0 0 291.753 3.614 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1ccccc1 ZINC000816529281 1131108443 /nfs/dbraw/zinc/10/84/43/1131108443.db2.gz NAKKSPSLQBFOGC-UHFFFAOYSA-N 0 0 279.742 3.517 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CC12CCCC2 ZINC000816591710 1131110054 /nfs/dbraw/zinc/11/00/54/1131110054.db2.gz LTKSJOSBHLHMRE-CYBMUJFWSA-N 0 0 269.747 3.607 20 10 CHCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)C1 ZINC001237619749 1131118828 /nfs/dbraw/zinc/11/88/28/1131118828.db2.gz DHGGESMSJXGKLH-ZJUUUORDSA-N 0 0 271.763 3.805 20 10 CHCDRN Oc1ccc(-c2ccc(F)cc2)cc1CN1CCCCO1 ZINC001237641170 1131123809 /nfs/dbraw/zinc/12/38/09/1131123809.db2.gz NSBSFGPSMBTEQJ-UHFFFAOYSA-N 0 0 287.334 3.726 20 10 CHCDRN Cc1c(C)n(C)c2ccc(OC(=O)OC3CCC3)cc12 ZINC000817152307 1131144942 /nfs/dbraw/zinc/14/49/42/1131144942.db2.gz YDOWRGTZFUEDEE-UHFFFAOYSA-N 0 0 273.332 3.863 20 10 CHCDRN CCCC[N@H+](CC)Cc1cc(F)c(Cl)cc1[O-] ZINC001237940136 1131151760 /nfs/dbraw/zinc/15/17/60/1131151760.db2.gz BVEDAFDSTKPBJE-UHFFFAOYSA-N 0 0 259.752 3.807 20 10 CHCDRN C[N@@H+](Cc1cc(F)c(Cl)cc1[O-])CC1CC(F)(F)C1 ZINC001237949953 1131154814 /nfs/dbraw/zinc/15/48/14/1131154814.db2.gz PGDIYZBQYOBHRC-UHFFFAOYSA-N 0 0 293.716 3.662 20 10 CHCDRN C[N@H+](Cc1ccccc1O)Cc1cc(F)c(Cl)cc1[O-] ZINC001237950244 1131155094 /nfs/dbraw/zinc/15/50/94/1131155094.db2.gz RFOGCTBAJSLDQQ-UHFFFAOYSA-N 0 0 295.741 3.522 20 10 CHCDRN C[N@H+](CCc1ccccc1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237946259 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ZINC000842930199 1132477204 /nfs/dbraw/zinc/47/72/04/1132477204.db2.gz XPXKJFNZKMCNHL-IWSPIJDZSA-N 0 0 290.190 3.527 20 10 CHCDRN CC1(C)CC[C@H](c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000843159285 1132500370 /nfs/dbraw/zinc/50/03/70/1132500370.db2.gz ODQFXQCVARXPJO-LBPRGKRZSA-N 0 0 271.364 3.536 20 10 CHCDRN COc1ccc(N(C)Cc2cccc(O)c2Cl)cc1 ZINC000328231295 1132503240 /nfs/dbraw/zinc/50/32/40/1132503240.db2.gz OFZVVRHNHBKWKY-UHFFFAOYSA-N 0 0 277.751 3.691 20 10 CHCDRN Cc1ccccc1C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001233077830 1132570377 /nfs/dbraw/zinc/57/03/77/1132570377.db2.gz WFYHIYSWFVPEQR-UHFFFAOYSA-N 0 0 277.314 3.611 20 10 CHCDRN C/C(=C\C(=O)N[C@H](C)c1ccccc1O)c1cccs1 ZINC001151891839 1132573777 /nfs/dbraw/zinc/57/37/77/1132573777.db2.gz AVAGVBLPNQRUPT-HCRIHEDKSA-N 0 0 287.384 3.734 20 10 CHCDRN Oc1cccc(Nc2cccc(C(F)(F)F)c2)c1O ZINC001173824626 1132579780 /nfs/dbraw/zinc/57/97/80/1132579780.db2.gz ARNDEAPMCXINRU-UHFFFAOYSA-N 0 0 269.222 3.860 20 10 CHCDRN CC(C)(C)c1ccc(O)c(CN2Cc3ccncc3C2)c1 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ZINC001216584165 1134922982 /nfs/dbraw/zinc/92/29/82/1134922982.db2.gz SNHWRKTZTAKAEP-UHFFFAOYSA-N 0 0 292.379 3.906 20 10 CHCDRN O=C1C[C@@H](Oc2ccc(/N=N/c3ccccc3)cc2)CCN1 ZINC001218206352 1135069435 /nfs/dbraw/zinc/06/94/35/1135069435.db2.gz DWQFVXWMEBCLQO-QBNCKDSPSA-N 0 0 295.342 3.759 20 10 CHCDRN O=C1C=CC(=NNc2ccc(O[C@H]3C[C@H](O)C3)cc2)C=C1 ZINC001218363737 1135095409 /nfs/dbraw/zinc/09/54/09/1135095409.db2.gz AXYKKIOYNNQESQ-KOMQPUFPSA-N 0 0 284.315 3.710 20 10 CHCDRN O=C1C=CC=CC1=NNc1ccccc1O[C@H]1C[C@@H](O)C1 ZINC001218417619 1135102420 /nfs/dbraw/zinc/10/24/20/1135102420.db2.gz PIJKBZSMEPJHLB-HLVBCBOFSA-N 0 0 284.315 3.710 20 10 CHCDRN O=C1C=CC=CC1=NNc1ccccc1OC[C@H]1C[C@@H](O)C1 ZINC001218433311 1135104241 /nfs/dbraw/zinc/10/42/41/1135104241.db2.gz ZRNUFHPFDJIBQV-YJHPVRRTSA-N 0 0 298.342 3.957 20 10 CHCDRN CCOc1ncccc1NCc1ccc(N(CC)CC)cc1 ZINC000315391844 1135153510 /nfs/dbraw/zinc/15/35/10/1135153510.db2.gz GSLAHENRTWUGDT-UHFFFAOYSA-N 0 0 299.418 3.939 20 10 CHCDRN Cc1ccc(O)c(CNc2cnc3c(cnn3C(C)C)c2)c1 ZINC000316676883 1135168612 /nfs/dbraw/zinc/16/86/12/1135168612.db2.gz MACXFWXZVKAMHI-UHFFFAOYSA-N 0 0 296.374 3.638 20 10 CHCDRN CCCC[C@@H](CC)COC(=O)NCc1ccc(O)c(O)c1 ZINC000196020014 1135173030 /nfs/dbraw/zinc/17/30/30/1135173030.db2.gz QCYXJHUMDQNSTD-GFCCVEGCSA-N 0 0 295.379 3.540 20 10 CHCDRN CC[C@H](C)C[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC001222302490 1135220922 /nfs/dbraw/zinc/22/09/22/1135220922.db2.gz PLBBYFYRKIAYRU-AVGNSLFASA-N 0 0 278.396 3.577 20 10 CHCDRN C[C@H]([NH2+]CC1(C)CCCC1)c1ccc(F)cc1[O-] ZINC000104444817 186005068 /nfs/dbraw/zinc/00/50/68/186005068.db2.gz TWWZJRYJRKRUEK-NSHDSACASA-N 0 0 251.345 3.762 20 10 CHCDRN CN(C)c1ccc(CNc2ccc3c(c2)CCC3)cc1 ZINC000019913688 170924019 /nfs/dbraw/zinc/92/40/19/170924019.db2.gz PUDSBOHHSPYDDC-UHFFFAOYSA-N 0 0 266.388 3.853 20 10 CHCDRN COc1ccc(N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000019964813 170946345 /nfs/dbraw/zinc/94/63/45/170946345.db2.gz CCOYAKXMGGZDID-LLVKDONJSA-N 0 0 273.332 3.583 20 10 CHCDRN CN(C)c1ccc(CNCc2c(F)cccc2Cl)cc1 ZINC000020146111 171031646 /nfs/dbraw/zinc/03/16/46/171031646.db2.gz JIOXPOUMQOHPJN-UHFFFAOYSA-N 0 0 292.785 3.835 20 10 CHCDRN CCOc1ccc(NCc2cc(C)ccc2O)cc1 ZINC000071403706 176155309 /nfs/dbraw/zinc/15/53/09/176155309.db2.gz TZJNXPJFIGFALH-UHFFFAOYSA-N 0 0 257.333 3.711 20 10 CHCDRN Cc1ccccc1[C@H](NC(=O)Cc1ccc(N)cc1)C(C)C ZINC000157607070 261149154 /nfs/dbraw/zinc/14/91/54/261149154.db2.gz KJPQXXXFSJVHTF-LJQANCHMSA-N 0 0 296.414 3.633 20 10 CHCDRN O=C(CCC1CCCC1)CSc1nccs1 ZINC000160343041 261211595 /nfs/dbraw/zinc/21/15/95/261211595.db2.gz KMSXYEQOPBVUBM-UHFFFAOYSA-N 0 0 255.408 3.775 20 10 CHCDRN CC(C)(C)c1cnc(SCC(=O)NC2CCCC2)s1 ZINC000164192053 261344226 /nfs/dbraw/zinc/34/42/26/261344226.db2.gz ALUKLXBLFGBBAN-UHFFFAOYSA-N 0 0 298.477 3.592 20 10 CHCDRN COc1cc(F)c(N[C@H](C)c2ccccc2O)cc1OC ZINC000183669594 261984154 /nfs/dbraw/zinc/98/41/54/261984154.db2.gz SMQBNTWKBPKXME-SNVBAGLBSA-N 0 0 291.322 3.722 20 10 CHCDRN C[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000183981878 262003534 /nfs/dbraw/zinc/00/35/34/262003534.db2.gz HXOQJUXIYSAZJP-OCCSQVGLSA-N 0 0 281.371 3.531 20 10 CHCDRN C[C@H]([NH2+]Cc1cccnc1)c1cc2c(cc1O)CCCC2 ZINC000184837076 262030880 /nfs/dbraw/zinc/03/08/80/262030880.db2.gz ANGYZZSEKUAXEM-ZDUSSCGKSA-N 0 0 282.387 3.517 20 10 CHCDRN COc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1F ZINC000184927645 262034101 /nfs/dbraw/zinc/03/41/01/262034101.db2.gz ONYCCXRMOZXNPX-SNVBAGLBSA-N 0 0 293.313 3.530 20 10 CHCDRN CO[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000185101787 262040963 /nfs/dbraw/zinc/04/09/63/262040963.db2.gz MBRWMFRRESYQKM-YVEFUNNKSA-N 0 0 289.350 3.570 20 10 CHCDRN CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185390019 262052661 /nfs/dbraw/zinc/05/26/61/262052661.db2.gz MHQIJMWDLDTVLM-AMIZOPFISA-N 0 0 292.206 3.511 20 10 CHCDRN CC(C)[C@@H](c1ccccc1)N(C)C(=O)c1cccc(O)c1O ZINC000188482336 262157400 /nfs/dbraw/zinc/15/74/00/262157400.db2.gz BWHKQXLXGDSYDF-INIZCTEOSA-N 0 0 299.370 3.567 20 10 CHCDRN Cc1ccc(Cl)cc1N(C)C(=O)/C=C/c1cncs1 ZINC000493673108 262228911 /nfs/dbraw/zinc/22/89/11/262228911.db2.gz KIZIGSIOMYDFKU-AATRIKPKSA-N 0 0 292.791 3.781 20 10 CHCDRN CCN(CC)c1ccc(CN2CCC[C@H]2c2ncc[nH]2)cc1 ZINC000377016861 268039938 /nfs/dbraw/zinc/03/99/38/268039938.db2.gz YGLWKGIUZZXWGC-KRWDZBQOSA-N 0 0 298.434 3.593 20 10 CHCDRN CCN(CC)c1ccc(CN2CCC[C@@H]2c2ncc[nH]2)cc1 ZINC000377016862 268040069 /nfs/dbraw/zinc/04/00/69/268040069.db2.gz YGLWKGIUZZXWGC-QGZVFWFLSA-N 0 0 298.434 3.593 20 10 CHCDRN C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185351611 327838252 /nfs/dbraw/zinc/83/82/52/327838252.db2.gz USSFMZHWPPYQME-RYUDHWBXSA-N 0 0 289.350 3.519 20 10 CHCDRN Fc1ccccc1-c1noc(CSc2nccs2)n1 ZINC000185180619 329267107 /nfs/dbraw/zinc/26/71/07/329267107.db2.gz RTRWSTOMLUVLLF-UHFFFAOYSA-N 0 0 293.348 3.625 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)C1CCCC1 ZINC000509242552 332862188 /nfs/dbraw/zinc/86/21/88/332862188.db2.gz XLNMACMRVCSBHG-UHFFFAOYSA-N 0 0 299.418 3.571 20 10 CHCDRN Cc1cc(CN2CCCc3cc(OC(F)F)ccc32)on1 ZINC000193988950 329684644 /nfs/dbraw/zinc/68/46/44/329684644.db2.gz IUXUXSCFVYGTOS-UHFFFAOYSA-N 0 0 294.301 3.537 20 10 CHCDRN CC[C@@H](Nc1cccc2c1OCC2)c1ccccc1O ZINC000527958429 330294814 /nfs/dbraw/zinc/29/48/14/330294814.db2.gz SPFBIYCXAKTWIF-CQSZACIVSA-N 0 0 269.344 3.890 20 10 CHCDRN C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(Cl)cc1[O-] ZINC000527926139 330296604 /nfs/dbraw/zinc/29/66/04/330296604.db2.gz OZQZIESUIRKGIC-RYUDHWBXSA-N 0 0 283.799 3.513 20 10 CHCDRN C[C@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(Cl)cc1[O-] ZINC000527926135 330296633 /nfs/dbraw/zinc/29/66/33/330296633.db2.gz OZQZIESUIRKGIC-NWDGAFQWSA-N 0 0 283.799 3.513 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1cccc(Cl)c1[O-] ZINC000528003749 330300412 /nfs/dbraw/zinc/30/04/12/330300412.db2.gz CHQIYVBKPQGDMS-SHTIJGAHSA-N 0 0 297.826 3.898 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C)CC(C)C ZINC000471243911 331504748 /nfs/dbraw/zinc/50/47/48/331504748.db2.gz OCBCAWUTBPDNJO-ZDUSSCGKSA-N 0 0 286.419 3.785 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNc1ncc(Cl)cn1 ZINC000480497135 331774548 /nfs/dbraw/zinc/77/45/48/331774548.db2.gz DTJNEUZHRRNFIG-UHFFFAOYSA-N 0 0 286.766 3.542 20 10 CHCDRN CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000037007162 518972947 /nfs/dbraw/zinc/97/29/47/518972947.db2.gz DKAOUYIGTDIRDZ-JKSUJKDBSA-N 0 0 288.435 3.532 20 10 CHCDRN CC(C)=CCC[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000298014760 519423003 /nfs/dbraw/zinc/42/30/03/519423003.db2.gz FGJRREUOWPWVHR-AWEZNQCLSA-N 0 0 290.407 3.669 20 10 CHCDRN CC(C)c1nn(C)cc1NCc1c(O)cccc1Cl ZINC000280375296 519883338 /nfs/dbraw/zinc/88/33/38/519883338.db2.gz VCYNFKDNUMQAHY-UHFFFAOYSA-N 0 0 279.771 3.515 20 10 CHCDRN CCCOc1ccc(NC(=O)Cc2ccc(N)cc2)c(C)c1 ZINC000236850838 520390366 /nfs/dbraw/zinc/39/03/66/520390366.db2.gz YHTUJZCUTIERSP-UHFFFAOYSA-N 0 0 298.386 3.547 20 10 CHCDRN CC1(C)CN(Cc2cc(F)ccc2O)[C@@H]1c1cccnc1 ZINC000292800196 520475893 /nfs/dbraw/zinc/47/58/93/520475893.db2.gz NMOJVHGMKRCQFB-MRXNPFEDSA-N 0 0 286.350 3.509 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)CCC1CC1 ZINC000282592977 520547963 /nfs/dbraw/zinc/54/79/63/520547963.db2.gz XESZBQCYUJRCGT-UHFFFAOYSA-N 0 0 275.392 3.711 20 10 CHCDRN CC[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000299462807 522408398 /nfs/dbraw/zinc/40/83/98/522408398.db2.gz RMWKIRLYUVYWKE-INIZCTEOSA-N 0 0 298.386 3.685 20 10 CHCDRN CC[C@H]([NH2+]C1CCSCC1)c1cccc(Cl)c1[O-] ZINC000287802681 522562657 /nfs/dbraw/zinc/56/26/57/522562657.db2.gz UFHVUEIYDJPYIJ-ZDUSSCGKSA-N 0 0 285.840 3.982 20 10 CHCDRN COc1cc(OC)c(N[C@@H](C)c2ccccc2O)cc1F ZINC000272886584 522814656 /nfs/dbraw/zinc/81/46/56/522814656.db2.gz RQQMWPRENWTWCM-JTQLQIEISA-N 0 0 291.322 3.722 20 10 CHCDRN CC[C@@H](Nc1ccc2c(c1)CCO2)c1ccccc1O ZINC000037103728 522961250 /nfs/dbraw/zinc/96/12/50/522961250.db2.gz VUJSRHGXHOUQRS-OAHLLOKOSA-N 0 0 269.344 3.890 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)C1CCCC1 ZINC000128695398 523379252 /nfs/dbraw/zinc/37/92/52/523379252.db2.gz UKJBINZKGVXUJF-UHFFFAOYSA-N 0 0 275.392 3.567 20 10 CHCDRN CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000191634256 523899367 /nfs/dbraw/zinc/89/93/67/523899367.db2.gz DYGQLHZOOLZBRY-XHNCKOQMSA-N 0 0 292.206 3.773 20 10 CHCDRN COc1ccc(CNC(C)(C)c2nc(C)cs2)cc1C ZINC000265221439 524068646 /nfs/dbraw/zinc/06/86/46/524068646.db2.gz GXHGDNULWZPPFH-UHFFFAOYSA-N 0 0 290.432 3.793 20 10 CHCDRN Cc1ccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])s1 ZINC000276953929 524605764 /nfs/dbraw/zinc/60/57/64/524605764.db2.gz QYYBHIIJSYCNJP-SECBINFHSA-N 0 0 283.343 3.891 20 10 CHCDRN Cc1ccccc1[C@@H](C)CC(=O)NCc1ccccc1O ZINC000265249047 525344724 /nfs/dbraw/zinc/34/47/24/525344724.db2.gz FVRKVCYOJLLBTI-AWEZNQCLSA-N 0 0 283.371 3.511 20 10 CHCDRN C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000276971346 525363207 /nfs/dbraw/zinc/36/32/07/525363207.db2.gz UFTVRODYWZLAGC-GRYCIOLGSA-N 0 0 299.361 3.526 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000062744687 525609134 /nfs/dbraw/zinc/60/91/34/525609134.db2.gz WUQYACQROYVIBZ-NEPJUHHUSA-N 0 0 259.324 3.943 20 10 CHCDRN C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000290215198 525620026 /nfs/dbraw/zinc/62/00/26/525620026.db2.gz QXYJBLPRYSKQIB-BONVTDFDSA-N 0 0 289.762 3.657 20 10 CHCDRN C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000290215208 525620661 /nfs/dbraw/zinc/62/06/61/525620661.db2.gz QXYJBLPRYSKQIB-ZUZCIYMTSA-N 0 0 289.762 3.657 20 10 CHCDRN CS[C@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000128161839 525885165 /nfs/dbraw/zinc/88/51/65/525885165.db2.gz GFKXTJCEOMJGMI-SSDOTTSWSA-N 0 0 280.220 3.540 20 10 CHCDRN Cc1cnc(CN(C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000075611449 526008554 /nfs/dbraw/zinc/00/85/54/526008554.db2.gz RRCPMPUXGXHTRI-UHFFFAOYSA-N 0 0 299.418 3.605 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1CC(F)(F)C1 ZINC000291761176 526323883 /nfs/dbraw/zinc/32/38/83/526323883.db2.gz RJQWGBIKLZZVFN-UHFFFAOYSA-N 0 0 296.144 3.834 20 10 CHCDRN Oc1cccc2c1[C@@H](Nc1ccc([C@H]3CCOC3)cc1)CC2 ZINC000297485296 526368994 /nfs/dbraw/zinc/36/89/94/526368994.db2.gz ZOSFUNWFIVRHIH-RDJZCZTQSA-N 0 0 295.382 3.996 20 10 CHCDRN CCC[NH2+][C@H](CC)c1cc(Br)ccc1O ZINC000019480547 567877754 /nfs/dbraw/zinc/87/77/54/567877754.db2.gz LCXIVURDZVYPGJ-LLVKDONJSA-N 0 0 272.186 3.605 20 10 CHCDRN Cc1ccc(C)c(NCc2cc(F)cc(F)c2O)c1 ZINC000708481835 1119491684 /nfs/dbraw/zinc/49/16/84/1119491684.db2.gz UWNJWCRHKBFHLJ-UHFFFAOYSA-N 0 0 263.287 3.899 20 10 CHCDRN CCOc1cc(F)cc(N(C)c2ccc(N)cc2)c1 ZINC001175006142 1121129741 /nfs/dbraw/zinc/12/97/41/1121129741.db2.gz WYRQGQDNSUHCGA-UHFFFAOYSA-N 0 0 260.312 3.575 20 10 CHCDRN CCC[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000732286372 1121915815 /nfs/dbraw/zinc/91/58/15/1121915815.db2.gz SDRCHYRDAVNBEQ-ZYHUDNBSSA-N 0 0 267.394 3.542 20 10 CHCDRN Cc1cc(C)cc([C@H](C)NC(=O)C2=CC(=O)CS2)c1 ZINC000732290532 1121916763 /nfs/dbraw/zinc/91/67/63/1121916763.db2.gz YGOJIFAXCWKEES-NSHDSACASA-N 0 0 275.373 3.562 20 10 CHCDRN C[C@@H]([NH2+]Cc1ccn(C)c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273464243 1122234055 /nfs/dbraw/zinc/23/40/55/1122234055.db2.gz DJIPQSVXUPPUMB-SECBINFHSA-N 0 0 299.201 3.888 20 10 CHCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])CC(C)(C)C ZINC000775659502 1122872223 /nfs/dbraw/zinc/87/22/23/1122872223.db2.gz IJNBJVZNACELNF-UHFFFAOYSA-N 0 0 259.752 3.663 20 10 CHCDRN CCCc1ccc(/C=C2/SC(=S)N(CC)C2=O)s1 ZINC000856720355 1123565596 /nfs/dbraw/zinc/56/55/96/1123565596.db2.gz ICVJVLANADABAP-DHZHZOJOSA-N 0 0 297.470 3.922 20 10 CHCDRN C[C@H](c1cccs1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876590159 1124964359 /nfs/dbraw/zinc/96/43/59/1124964359.db2.gz UDKQBMNDVFQEMQ-SECBINFHSA-N 0 0 283.343 3.925 20 10 CHCDRN C/C=C(/C=C\C(=O)NCc1cc(Cl)ccc1O)CC ZINC000846477399 1131711380 /nfs/dbraw/zinc/71/13/80/1131711380.db2.gz SWCDMDXDZLRTQR-MJYGYMJXSA-N 0 0 279.767 3.574 20 10 CHCDRN CCC[N@H+](Cc1c([O-])cc(F)cc1F)[C@@H](C)CC ZINC001140579929 1131805080 /nfs/dbraw/zinc/80/50/80/1131805080.db2.gz MUYYCICUMUAHTG-JTQLQIEISA-N 0 0 257.324 3.681 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccccc1O ZINC000134235685 1125545499 /nfs/dbraw/zinc/54/54/99/1125545499.db2.gz VNVPNPSYXPZGLP-UHFFFAOYSA-N 0 0 298.169 3.694 20 10 CHCDRN CC[C@@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])N1CCCC1 ZINC000841746227 1125570910 /nfs/dbraw/zinc/57/09/10/1125570910.db2.gz WFZMOZYWQBVEDD-OCCSQVGLSA-N 0 0 296.842 3.571 20 10 CHCDRN Cc1ccc2nc(C[N@@H+](C)Cc3ccccc3O)ccc2c1 ZINC001137217289 1125599745 /nfs/dbraw/zinc/59/97/45/1125599745.db2.gz RNVOGDDXIDZBAP-UHFFFAOYSA-N 0 0 292.382 3.881 20 10 CHCDRN CCn1cc(Cl)c(NCc2c(O)cccc2Cl)n1 ZINC000886368306 1125674392 /nfs/dbraw/zinc/67/43/92/1125674392.db2.gz MPUYTCWDAPLPMK-UHFFFAOYSA-N 0 0 286.162 3.528 20 10 CHCDRN C[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886489433 1125680030 /nfs/dbraw/zinc/68/00/30/1125680030.db2.gz IPICTNKGCNBYFF-RYUDHWBXSA-N 0 0 259.324 3.943 20 10 CHCDRN Cc1ccccc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886491945 1125680071 /nfs/dbraw/zinc/68/00/71/1125680071.db2.gz XIHWRJIOABDUMV-GFCCVEGCSA-N 0 0 259.324 3.691 20 10 CHCDRN Cc1ccccc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886491946 1125680218 /nfs/dbraw/zinc/68/02/18/1125680218.db2.gz XIHWRJIOABDUMV-LBPRGKRZSA-N 0 0 259.324 3.691 20 10 CHCDRN CC(C)n1cc([C@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)cn1 ZINC000886526883 1125683859 /nfs/dbraw/zinc/68/38/59/1125683859.db2.gz ULNWNUIFMJUYMZ-NWDGAFQWSA-N 0 0 291.370 3.721 20 10 CHCDRN Cc1noc(C)c1[C@@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886526542 1125684247 /nfs/dbraw/zinc/68/42/47/1125684247.db2.gz NQMPQDODLARULH-BDAKNGLRSA-N 0 0 278.327 3.548 20 10 CHCDRN CCc1nc([C@@H](C)N[C@@H](C)c2c(O)cccc2F)cs1 ZINC000886525919 1125684690 /nfs/dbraw/zinc/68/46/90/1125684690.db2.gz AYJAMBMXXAMBSE-ZJUUUORDSA-N 0 0 294.395 3.962 20 10 CHCDRN COc1ccc(O)c(CNc2ccc(-c3cnco3)cc2)c1 ZINC000237363747 1125687634 /nfs/dbraw/zinc/68/76/34/1125687634.db2.gz SDTFEVBGPGDKLM-UHFFFAOYSA-N 0 0 296.326 3.668 20 10 CHCDRN COc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c(F)c1 ZINC000886552064 1125690486 /nfs/dbraw/zinc/69/04/86/1125690486.db2.gz TUSIEWSVMNWBND-JTQLQIEISA-N 0 0 293.313 3.530 20 10 CHCDRN COc1cc(F)cc(C[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886559931 1125691863 /nfs/dbraw/zinc/69/18/63/1125691863.db2.gz JICMVHNIWXYQRD-SNVBAGLBSA-N 0 0 293.313 3.530 20 10 CHCDRN COC1CCC(CC[NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886587825 1125693873 /nfs/dbraw/zinc/69/38/73/1125693873.db2.gz GMSRYVZTDNOGCZ-IYXRBSQSSA-N 0 0 295.398 3.777 20 10 CHCDRN CSCCCCC[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886594777 1125695224 /nfs/dbraw/zinc/69/52/24/1125695224.db2.gz UIAZROYVEMEGRZ-NSHDSACASA-N 0 0 271.401 3.715 20 10 CHCDRN C[C@H]([NH2+]CC(C)(C)c1cccnc1)c1c([O-])cccc1F ZINC000886626704 1125699976 /nfs/dbraw/zinc/69/99/76/1125699976.db2.gz JCCNHKWGFWGTHL-LBPRGKRZSA-N 0 0 288.366 3.555 20 10 CHCDRN C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1c([O-])cccc1F ZINC000886638123 1125701545 /nfs/dbraw/zinc/70/15/45/1125701545.db2.gz MMNAIRZLBIBAMI-RNCFNFMXSA-N 0 0 273.298 3.617 20 10 CHCDRN C[C@H](Nc1cccc(CCCO)c1)c1ccc(F)cc1O ZINC000139032647 1125720317 /nfs/dbraw/zinc/72/03/17/1125720317.db2.gz OMRMULQDSONLSX-LBPRGKRZSA-N 0 0 289.350 3.629 20 10 CHCDRN C[C@@H]([NH2+]C1(C2CC2)CCC1)c1cc(F)cc(F)c1[O-] ZINC000886825038 1125721801 /nfs/dbraw/zinc/72/18/01/1125721801.db2.gz LFMXSQJPZDSRBJ-SECBINFHSA-N 0 0 267.319 3.654 20 10 CHCDRN C[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)[C@H]1c1ccccc1 ZINC000886960756 1125727140 /nfs/dbraw/zinc/72/71/40/1125727140.db2.gz CHVLAZPPPUFNQP-CXAGYDPISA-N 0 0 295.386 3.884 20 10 CHCDRN O=[N+]([O-])c1cnc(SC2CCC(F)(F)CC2)s1 ZINC000897538708 1125750755 /nfs/dbraw/zinc/75/07/55/1125750755.db2.gz BANVFYCFRIUDKB-UHFFFAOYSA-N 0 0 280.321 3.721 20 10 CHCDRN CC(C)(C)c1cnc(SCCCn2ccnc2)s1 ZINC000180438411 1126843981 /nfs/dbraw/zinc/84/39/81/1126843981.db2.gz DQJJRQXBFQVWBD-UHFFFAOYSA-N 0 0 281.450 3.820 20 10 CHCDRN CCc1noc(Cc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000904344880 1126847216 /nfs/dbraw/zinc/84/72/16/1126847216.db2.gz VEZODSBHCDUPRV-UHFFFAOYSA-N 0 0 281.359 3.630 20 10 CHCDRN Cc1csc(C(C)(C)[NH2+]Cc2cccc(Cl)c2[O-])n1 ZINC000182214007 1126868242 /nfs/dbraw/zinc/86/82/42/1126868242.db2.gz ZPSRQEGRTSUCBT-UHFFFAOYSA-N 0 0 296.823 3.835 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C1(c2ccccc2F)CC1 ZINC000182400324 1126872247 /nfs/dbraw/zinc/87/22/47/1126872247.db2.gz FTBWJKQWIPDUKA-UHFFFAOYSA-N 0 0 291.753 3.964 20 10 CHCDRN CC[C@@H](CC(C)C)C(=O)N[C@@H](C)c1ccccc1O ZINC000827959533 1130678983 /nfs/dbraw/zinc/67/89/83/1130678983.db2.gz AJRJBZYHJSHMDI-STQMWFEESA-N 0 0 263.381 3.642 20 10 CHCDRN CC(C)C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000777441032 1126921962 /nfs/dbraw/zinc/92/19/62/1126921962.db2.gz VLENDLPIWHUSQC-KGLIPLIRSA-N 0 0 297.826 3.729 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)c1ccoc1Cl ZINC000192434109 1126961641 /nfs/dbraw/zinc/96/16/41/1126961641.db2.gz UITFQAAFHYWTCX-UHFFFAOYSA-N 0 0 293.750 3.691 20 10 CHCDRN CCCCC[C@](C)(CC)C(=O)NCc1ccc(O)cc1O ZINC000910947257 1127075711 /nfs/dbraw/zinc/07/57/11/1127075711.db2.gz AOLRUCVMOJLFFE-KRWDZBQOSA-N 0 0 293.407 3.711 20 10 CHCDRN CC(=O)CCCOC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000912708636 1127108429 /nfs/dbraw/zinc/10/84/29/1127108429.db2.gz UYQFMXHWGUAODU-UHFFFAOYSA-N 0 0 299.370 3.620 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SCCCF ZINC000151241969 1127128313 /nfs/dbraw/zinc/12/83/13/1127128313.db2.gz HACFRCDUCLMEDR-UHFFFAOYSA-N 0 0 250.342 3.539 20 10 CHCDRN CCCN(Cc1ccccc1O)[C@H](C)c1nnc(C)s1 ZINC000283159090 1127124288 /nfs/dbraw/zinc/12/42/88/1127124288.db2.gz OXMPFWIMAPXFQY-LLVKDONJSA-N 0 0 291.420 3.525 20 10 CHCDRN CN(C)c1ccc(-c2nc(C(F)F)cs2)cc1 ZINC000283746363 1127154435 /nfs/dbraw/zinc/15/44/35/1127154435.db2.gz FKAYVWZZOFQWJN-UHFFFAOYSA-N 0 0 254.305 3.814 20 10 CHCDRN CCC(CC)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000164683696 1127180930 /nfs/dbraw/zinc/18/09/30/1127180930.db2.gz SOLATGVFINOFER-UHFFFAOYSA-N 0 0 276.424 3.537 20 10 CHCDRN C[C@@H]1CCCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237617208 1131118734 /nfs/dbraw/zinc/11/87/34/1131118734.db2.gz NBJLDSSNIDNBKM-SNVBAGLBSA-N 0 0 271.763 3.807 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(NCc2cnc(C)nc2)cc1 ZINC001168387178 1127212658 /nfs/dbraw/zinc/21/26/58/1127212658.db2.gz XHNCFZTUGOHJLX-UHFFFAOYSA-N 0 0 292.386 3.805 20 10 CHCDRN Oc1ccc2ccccc2c1Nc1ccncc1Cl ZINC001212157335 1127221532 /nfs/dbraw/zinc/22/15/32/1127221532.db2.gz HQBRNHCIIISCSE-UHFFFAOYSA-N 0 0 270.719 3.759 20 10 CHCDRN C[C@@H](N[C@@H](C)c1cc(F)ccc1O)c1c(F)cncc1F ZINC000285773605 1127242362 /nfs/dbraw/zinc/24/23/62/1127242362.db2.gz UFBXYZMTMZTAQH-DTWKUNHWSA-N 0 0 296.292 3.616 20 10 CHCDRN CC[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000286002750 1127252689 /nfs/dbraw/zinc/25/26/89/1127252689.db2.gz HRBRAKOTHIYCRK-WWGRRREGSA-N 0 0 295.398 3.777 20 10 CHCDRN CC[C@H]([NH2+]CC[C@@H]1CCO[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000286002754 1127253290 /nfs/dbraw/zinc/25/32/90/1127253290.db2.gz HRBRAKOTHIYCRK-ZENOOKHLSA-N 0 0 295.398 3.777 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCO[C@@H](C(C)C)C1)c1ccc(F)cc1[O-] ZINC000286160201 1127261280 /nfs/dbraw/zinc/26/12/80/1127261280.db2.gz PWBHGADTXDQOIC-JLJPHGGASA-N 0 0 295.398 3.776 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](COC)C1CC1)c1cccc(Cl)c1[O-] ZINC000287285808 1127299433 /nfs/dbraw/zinc/29/94/33/1127299433.db2.gz BSPMSFCFMQNRET-KGLIPLIRSA-N 0 0 283.799 3.511 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)CCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000287556564 1127309772 /nfs/dbraw/zinc/30/97/72/1127309772.db2.gz FYSKSXMMPKOCOS-PELKAZGASA-N 0 0 292.206 3.511 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cccc(Cl)c1[O-] ZINC000287603173 1127310463 /nfs/dbraw/zinc/31/04/63/1127310463.db2.gz IRWJZCYFLLPKDF-GYSYKLTISA-N 0 0 283.799 3.654 20 10 CHCDRN CC[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cccc(Cl)c1[O-] ZINC000287683898 1127311991 /nfs/dbraw/zinc/31/19/91/1127311991.db2.gz MTJUJPIJYLILAV-XUJVJEKNSA-N 0 0 297.826 3.901 20 10 CHCDRN CCC[C@@](C)(O)C[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000287904109 1127315225 /nfs/dbraw/zinc/31/52/25/1127315225.db2.gz ZTSWCYFAWWRVDR-UKRRQHHQSA-N 0 0 285.815 3.637 20 10 CHCDRN CCOc1cc(F)ccc1NCc1cccc(C)c1O ZINC000158050350 1127416126 /nfs/dbraw/zinc/41/61/26/1127416126.db2.gz QSGHMEKOHUPZGX-UHFFFAOYSA-N 0 0 275.323 3.851 20 10 CHCDRN Oc1ccc(F)cc1CNc1ccccc1OC(F)F ZINC000226581106 1127411440 /nfs/dbraw/zinc/41/14/40/1127411440.db2.gz WJSOCRHLAWLGOI-UHFFFAOYSA-N 0 0 283.249 3.745 20 10 CHCDRN Cc1ccnc(N[C@@H](C)c2cc(Cl)ccc2O)c1 ZINC000005982077 1127502199 /nfs/dbraw/zinc/50/21/99/1127502199.db2.gz BEMRBHWKEUCAQU-JTQLQIEISA-N 0 0 262.740 3.922 20 10 CHCDRN CC1(C)CN(Cc2cc(F)ccc2O)[C@H]1c1ccncc1 ZINC000293909095 1127532043 /nfs/dbraw/zinc/53/20/43/1127532043.db2.gz LQIWWCGHXIFWCX-INIZCTEOSA-N 0 0 286.350 3.509 20 10 CHCDRN CC[N@H+](Cc1ccncc1)Cc1cc(Cl)c(F)cc1[O-] ZINC000294069407 1127547027 /nfs/dbraw/zinc/54/70/27/1127547027.db2.gz YIDKTXKMEIYHGJ-UHFFFAOYSA-N 0 0 294.757 3.602 20 10 CHCDRN [O-]c1c(F)cccc1C[NH2+][C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000294090124 1127548221 /nfs/dbraw/zinc/54/82/21/1127548221.db2.gz ZOSNLYDERSCPGS-CTYIDZIISA-N 0 0 289.325 3.706 20 10 CHCDRN COc1cc(Cl)cc(CNc2ccc(Cl)nc2)c1O ZINC000228677692 1127585585 /nfs/dbraw/zinc/58/55/85/1127585585.db2.gz NYJAXBRTNNVHKG-UHFFFAOYSA-N 0 0 299.157 3.715 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C(\C)CC ZINC000295502625 1127645016 /nfs/dbraw/zinc/64/50/16/1127645016.db2.gz BSSQQTNKMPGESP-WYMLVPIESA-N 0 0 275.392 3.877 20 10 CHCDRN Cc1sccc1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000296082140 1127662694 /nfs/dbraw/zinc/66/26/94/1127662694.db2.gz YPMLPFSUTVSFLM-XFXZXTDPSA-N 0 0 292.429 3.513 20 10 CHCDRN Nc1ccc(NC(=O)N[C@H]2CCCc3sccc32)cc1 ZINC000061368406 1127687868 /nfs/dbraw/zinc/68/78/68/1127687868.db2.gz UMQDCCAZWJCQTO-ZDUSSCGKSA-N 0 0 287.388 3.529 20 10 CHCDRN Cc1ccc(NC(=S)NNc2ccccc2C)cc1F ZINC000007350531 1127689424 /nfs/dbraw/zinc/68/94/24/1127689424.db2.gz SVJOTNHMURIKSO-UHFFFAOYSA-N 0 0 289.379 3.756 20 10 CHCDRN C/C(=C\C(=O)N(C)Cc1ccccc1O)c1cccc(F)c1 ZINC000171864204 1127733118 /nfs/dbraw/zinc/73/31/18/1127733118.db2.gz NIOFJFLHVNLDTO-JLHYYAGUSA-N 0 0 299.345 3.593 20 10 CHCDRN CC(C)CCN(CCC(C)C)C(=O)c1cccc(O)c1O ZINC000230101660 1127740795 /nfs/dbraw/zinc/74/07/95/1127740795.db2.gz MQGOKCNOLRMQPR-UHFFFAOYSA-N 0 0 293.407 3.632 20 10 CHCDRN C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000062744887 1127772590 /nfs/dbraw/zinc/77/25/90/1127772590.db2.gz MGNWQENHXXVDPF-SNVBAGLBSA-N 0 0 263.287 3.521 20 10 CHCDRN C[C@H]([NH2+]CCSc1ccccc1)c1ccc(F)cc1[O-] ZINC000062747774 1127773699 /nfs/dbraw/zinc/77/36/99/1127773699.db2.gz GSAVWOAHONCTBX-LBPRGKRZSA-N 0 0 291.391 3.974 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000373231441 1127830195 /nfs/dbraw/zinc/83/01/95/1127830195.db2.gz XUGPZOVXDRZHCO-LLVKDONJSA-N 0 0 277.751 3.628 20 10 CHCDRN C[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1C ZINC001233074688 1127923549 /nfs/dbraw/zinc/92/35/49/1127923549.db2.gz SSRBBMRRWIYDBX-MNOVXSKESA-N 0 0 269.335 3.538 20 10 CHCDRN CC(C)c1cc(NCc2ccc(N(C)C)c(F)c2)no1 ZINC000777519571 1128099469 /nfs/dbraw/zinc/09/94/69/1128099469.db2.gz ONGFJQYBSUEPDO-UHFFFAOYSA-N 0 0 277.343 3.615 20 10 CHCDRN Cc1nc2c(o1)CCC[C@@H]2NCc1ccc(N(C)C)cc1C ZINC000925080681 1128120927 /nfs/dbraw/zinc/12/09/27/1128120927.db2.gz OCXIJGFYZJEMIY-INIZCTEOSA-N 0 0 299.418 3.525 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SC[C@@H]1CCCOC1 ZINC000761611270 1128165754 /nfs/dbraw/zinc/16/57/54/1128165754.db2.gz QLMUJXQEHDHTIB-CYBMUJFWSA-N 0 0 288.416 3.606 20 10 CHCDRN C[C@@H]1CCC[C@@H]([N@H+](C)Cc2c(O)ccc3ccncc32)C1 ZINC000914785247 1128244629 /nfs/dbraw/zinc/24/46/29/1128244629.db2.gz VPPCSRGCGZZAQF-UKRRQHHQSA-N 0 0 284.403 3.951 20 10 CHCDRN Fc1ccc(-c2c[nH]c(Sc3nccs3)n2)cc1 ZINC000914863199 1128255686 /nfs/dbraw/zinc/25/56/86/1128255686.db2.gz NWGAHCJMMIMLKZ-UHFFFAOYSA-N 0 0 277.349 3.824 20 10 CHCDRN CC/C=C(\C)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000914880259 1128258470 /nfs/dbraw/zinc/25/84/70/1128258470.db2.gz ZRGGIOBLKAUQGE-OQLLNIDSSA-N 0 0 288.435 3.848 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)/C=C/c1ccccc1 ZINC000761749143 1128203713 /nfs/dbraw/zinc/20/37/13/1128203713.db2.gz AEXJOKNYUKDIHE-OUKQBFOZSA-N 0 0 295.382 3.844 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc(Cl)cc1[O-] ZINC000926948260 1128205060 /nfs/dbraw/zinc/20/50/60/1128205060.db2.gz JUVRLLTZKUXYKN-DKCNOQQISA-N 0 0 293.716 3.895 20 10 CHCDRN CC[C@@H](N[C@@H](CC)C(F)F)c1ccc(C)cc1O ZINC000834826104 1128211147 /nfs/dbraw/zinc/21/11/47/1128211147.db2.gz BPMDLTGBZAKNHW-NEPJUHHUSA-N 0 0 257.324 3.785 20 10 CHCDRN Cc1cc(-c2nc([C@@H]3C[C@@H]3C)no2)c(C)n1-c1ccccn1 ZINC000762253241 1128287384 /nfs/dbraw/zinc/28/73/84/1128287384.db2.gz KWDACNROSISEOX-GXFFZTMASA-N 0 0 294.358 3.663 20 10 CHCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C(\C)C(C)(C)C)c1 ZINC000762804107 1128318778 /nfs/dbraw/zinc/31/87/78/1128318778.db2.gz FUSPMASUSBZKGR-ZKQHCESOSA-N 0 0 291.391 3.570 20 10 CHCDRN OCc1ccccc1NCc1ccc(N2CCCCC2)cc1 ZINC000237982378 1128323511 /nfs/dbraw/zinc/32/35/11/1128323511.db2.gz XAZBVXJBTRKFMN-UHFFFAOYSA-N 0 0 296.414 3.781 20 10 CHCDRN Cc1cc(C(=O)CSc2nccs2)ccc1F ZINC000176631809 1128329678 /nfs/dbraw/zinc/32/96/78/1128329678.db2.gz TZSUPHUOXBKQJL-UHFFFAOYSA-N 0 0 267.350 3.566 20 10 CHCDRN CCc1ncc(CN(C)c2ccc(-c3nccs3)cc2)o1 ZINC000930710297 1128332250 /nfs/dbraw/zinc/33/22/50/1128332250.db2.gz QVJFQQPKSVCSDG-UHFFFAOYSA-N 0 0 299.399 3.997 20 10 CHCDRN CC(C)(C)c1cnc(SC[C@@H]2CC3(CC3)C(=O)O2)s1 ZINC000762962285 1128336756 /nfs/dbraw/zinc/33/67/56/1128336756.db2.gz OUQMHYFWARLLRE-VIFPVBQESA-N 0 0 297.445 3.628 20 10 CHCDRN COc1cc(-c2nc3cc(C)ccc3s2)cc(O)c1O ZINC000916855185 1128457780 /nfs/dbraw/zinc/45/77/80/1128457780.db2.gz ZIXFRESVFNGRTB-UHFFFAOYSA-N 0 0 287.340 3.692 20 10 CHCDRN Cc1ccc(C)c(NC(=O)NCc2c(C)cc(C)cc2O)c1 ZINC001202775939 1128462511 /nfs/dbraw/zinc/46/25/11/1128462511.db2.gz YFMISCUJVFDRGS-UHFFFAOYSA-N 0 0 298.386 3.948 20 10 CHCDRN CC(=O)N1CCC(Sc2ncc(C(C)(C)C)s2)CC1 ZINC000917217311 1128490937 /nfs/dbraw/zinc/49/09/37/1128490937.db2.gz 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1118067057 /nfs/dbraw/zinc/06/70/57/1118067057.db2.gz HAFGULNQRPIWFT-UHFFFAOYSA-N 0 0 298.224 3.777 20 10 CHCDRN CCCCNc1ccccc1C(=O)NCc1ccccc1O ZINC000764066059 1118067527 /nfs/dbraw/zinc/06/75/27/1118067527.db2.gz CDIKCQWGVNBBIM-UHFFFAOYSA-N 0 0 298.386 3.534 20 10 CHCDRN O=C(NCc1cccc(Cl)c1O)C1(C2CCC2)CCC1 ZINC000890761441 1118078604 /nfs/dbraw/zinc/07/86/04/1118078604.db2.gz SFLRHPNULQJKKB-UHFFFAOYSA-N 0 0 293.794 3.632 20 10 CHCDRN Cc1ccc(Cl)c(NCc2ccc(N(C)C)cc2)n1 ZINC000764999521 1118129432 /nfs/dbraw/zinc/12/94/32/1118129432.db2.gz GVCFUXOVUFTVAI-UHFFFAOYSA-N 0 0 275.783 3.722 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000211600898 1118148010 /nfs/dbraw/zinc/14/80/10/1118148010.db2.gz OVEVCCWHPWSUED-UWVGGRQHSA-N 0 0 286.202 3.931 20 10 CHCDRN CC[C@@H]1CCC[C@]1(C)C(=O)NCc1cc(C)ccc1O ZINC001167293738 1118184581 /nfs/dbraw/zinc/18/45/81/1118184581.db2.gz QGYOTCLGHIVIAS-PBHICJAKSA-N 0 0 275.392 3.533 20 10 CHCDRN Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000179887057 1128765340 /nfs/dbraw/zinc/76/53/40/1128765340.db2.gz KLOPKZSBIYJIAC-ZDUSSCGKSA-N 0 0 277.364 3.930 20 10 CHCDRN Cc1ccc(/C=C\CC(=O)N(C)Cc2ccccc2O)cc1 ZINC000255120368 1118252551 /nfs/dbraw/zinc/25/25/51/1118252551.db2.gz LPPZOMBBVWJMDS-WAYWQWQTSA-N 0 0 295.382 3.763 20 10 CHCDRN CC(C)(C)c1ccc(-c2noc(-c3csnn3)n2)cc1 ZINC001212362101 1118266727 /nfs/dbraw/zinc/26/67/27/1118266727.db2.gz MVRLIXYZYXUSSS-UHFFFAOYSA-N 0 0 286.360 3.553 20 10 CHCDRN Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)cc(C)c1F ZINC001648892376 1118273283 /nfs/dbraw/zinc/27/32/83/1118273283.db2.gz XUBZUBZXDCUUKQ-LBPRGKRZSA-N 0 0 287.334 3.639 20 10 CHCDRN Cc1cc(C)cc(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000074333779 1118281313 /nfs/dbraw/zinc/28/13/13/1118281313.db2.gz DYILWUZAGXCJLC-UHFFFAOYSA-N 0 0 296.414 3.752 20 10 CHCDRN Cc1ccc(-n2cc(NCc3ccccc3O)cn2)c(C)c1 ZINC000189076077 1128767840 /nfs/dbraw/zinc/76/78/40/1128767840.db2.gz GFCHSNHPQXRIAQ-UHFFFAOYSA-N 0 0 293.370 3.807 20 10 CHCDRN CC(C)[C@H]1CCCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000079357368 1118306080 /nfs/dbraw/zinc/30/60/80/1118306080.db2.gz KVYMRLGAGSENKR-ZDUSSCGKSA-N 0 0 275.396 3.559 20 10 CHCDRN Cc1cccc(NC(=O)N(C)Cc2ccccc2O)c1F ZINC000179963921 1128770242 /nfs/dbraw/zinc/77/02/42/1128770242.db2.gz KNHKWEPNHFIKGQ-UHFFFAOYSA-N 0 0 288.322 3.504 20 10 CHCDRN Cc1ccc(Cl)cc1C(=O)N(C)Cc1ccccc1O ZINC000134203707 1118434933 /nfs/dbraw/zinc/43/49/33/1118434933.db2.gz DGBMQPRFGCXUKS-UHFFFAOYSA-N 0 0 289.762 3.626 20 10 CHCDRN Cc1cccc(C[NH2+]CC(C)(C)CC(F)(F)F)c1O ZINC000827980202 1118496698 /nfs/dbraw/zinc/49/66/98/1118496698.db2.gz INOFQOGDECOQQL-UHFFFAOYSA-N 0 0 275.314 3.769 20 10 CHCDRN Cc1ccc(C(=O)Nc2ccc3ccccc3c2)c(O)c1O ZINC000780849784 1118535032 /nfs/dbraw/zinc/53/50/32/1118535032.db2.gz PMDSYGXNJLLNJE-UHFFFAOYSA-N 0 0 293.322 3.812 20 10 CHCDRN Cc1ncc(/C=C\C(=O)N2C[C@@H](C)c3ccccc32)s1 ZINC000255270411 1118542468 /nfs/dbraw/zinc/54/24/68/1118542468.db2.gz UOLWMLKUVGYXPM-SKVAFPRGSA-N 0 0 284.384 3.615 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1CCC(F)(F)CC1 ZINC000693361031 1118561475 /nfs/dbraw/zinc/56/14/75/1118561475.db2.gz CZEXDIMWPVPKRO-UHFFFAOYSA-N 0 0 289.753 3.961 20 10 CHCDRN Nc1ccc(NC(=O)CCCC2CCCCC2)cc1 ZINC000238134142 1128787406 /nfs/dbraw/zinc/78/74/06/1128787406.db2.gz GTEUOOXUFGZBHY-UHFFFAOYSA-N 0 0 260.381 3.958 20 10 CHCDRN CC(C)COc1ccc(Nc2cccc(O)c2O)cc1 ZINC001212285847 1128798819 /nfs/dbraw/zinc/79/88/19/1128798819.db2.gz SCIFSEYTBVUFKA-UHFFFAOYSA-N 0 0 273.332 3.876 20 10 CHCDRN Nc1ccc(NC(=O)c2cc3ccccc3s2)cc1 ZINC000048847539 1119083458 /nfs/dbraw/zinc/08/34/58/1119083458.db2.gz XJBSQSIWKXONKY-UHFFFAOYSA-N 0 0 268.341 3.736 20 10 CHCDRN CCOc1cccc(CNc2ccc(F)cc2OC)c1O ZINC000049563793 1119105037 /nfs/dbraw/zinc/10/50/37/1119105037.db2.gz DPRBTPMNJSBQEK-UHFFFAOYSA-N 0 0 291.322 3.551 20 10 CHCDRN COc1ccc(CNc2cc(C)ccc2C)c(O)c1OC ZINC000892310457 1119229776 /nfs/dbraw/zinc/22/97/76/1119229776.db2.gz MJSKWCVMINIQMQ-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN COc1ccc(N(C)Cc2ncc(C(C)(C)C)o2)cc1F ZINC000121789894 1119269210 /nfs/dbraw/zinc/26/92/10/1119269210.db2.gz AITVLHJDCOLNAF-UHFFFAOYSA-N 0 0 292.354 3.756 20 10 CHCDRN COc1ccc2ccc(O)c(C[N@@H+]3CCC[C@H]3C3CC3)c2c1 ZINC000728562917 1119344995 /nfs/dbraw/zinc/34/49/95/1119344995.db2.gz RIYNNONZSGSHQA-SFHVURJKSA-N 0 0 297.398 3.928 20 10 CHCDRN CCC([NH2+]Cc1cc(F)cc(F)c1[O-])(C1CC1)C1CC1 ZINC000708407757 1119439307 /nfs/dbraw/zinc/43/93/07/1119439307.db2.gz AETARLCQKLNYBG-UHFFFAOYSA-N 0 0 281.346 3.729 20 10 CHCDRN CC(C)CC1(C(=O)N[C@@H](C)c2ccccc2O)CCC1 ZINC000827972923 1119596347 /nfs/dbraw/zinc/59/63/47/1119596347.db2.gz DFZIOEYCOPTNDJ-ZDUSSCGKSA-N 0 0 275.392 3.786 20 10 CHCDRN CN(C)C(=O)c1ccccc1N=Nc1ccc(N(C)C)cc1 ZINC000255670919 1119709606 /nfs/dbraw/zinc/70/96/06/1119709606.db2.gz GBBDRQFTPZZZKQ-UHFFFAOYSA-N 0 0 296.374 3.870 20 10 CHCDRN C[C@@H]1CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000309224303 1119812566 /nfs/dbraw/zinc/81/25/66/1119812566.db2.gz RKPZDHNMELYTBB-RDDDGLTNSA-N 0 0 260.164 3.587 20 10 CHCDRN CC1(C)CC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000162726592 1120000477 /nfs/dbraw/zinc/00/04/77/1120000477.db2.gz TUCWCDNPCHQBKH-LLVKDONJSA-N 0 0 298.224 3.823 20 10 CHCDRN CC(C)Oc1ccc(NCc2ccccc2O)cc1C#N ZINC000181527230 1128885863 /nfs/dbraw/zinc/88/58/63/1128885863.db2.gz PQDFHIQZJGOUHT-UHFFFAOYSA-N 0 0 282.343 3.663 20 10 CHCDRN CC[C@H]([NH2+]CC[C@H](C)O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287592424 1120067449 /nfs/dbraw/zinc/06/74/49/1120067449.db2.gz IDXZTWCHRJXNSG-UFBFGSQYSA-N 0 0 292.206 3.511 20 10 CHCDRN Cc1ccc(CN(C)[C@H](C2CCC2)C(F)(F)F)c(O)c1 ZINC001140957648 1120148434 /nfs/dbraw/zinc/14/84/34/1120148434.db2.gz HDLSTCYEMAKHCQ-CQSZACIVSA-N 0 0 287.325 3.863 20 10 CHCDRN Cc1sc2nc(C)nc(NCc3ccccc3O)c2c1C ZINC000314316935 1120185022 /nfs/dbraw/zinc/18/50/22/1120185022.db2.gz RNGXGPIGAKSPON-UHFFFAOYSA-N 0 0 299.399 3.934 20 10 CHCDRN CCn1c2ccc(Cl)cc2nc1-c1ccc(O)c(O)c1 ZINC000225653720 1120249397 /nfs/dbraw/zinc/24/93/97/1120249397.db2.gz KFRQHDYJLCJQCU-UHFFFAOYSA-N 0 0 288.734 3.788 20 10 CHCDRN C[C@H]([NH2+][C@@H]1Cc2cccc(Cl)c2C1)c1ccccc1O ZINC001168690242 1120256279 /nfs/dbraw/zinc/25/62/79/1120256279.db2.gz KKIPHXCLSWICIA-WCQYABFASA-N 0 0 287.790 3.864 20 10 CHCDRN CCCCS[C@H](C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843159221 1120274594 /nfs/dbraw/zinc/27/45/94/1120274594.db2.gz NAHICTPLGUBGJI-LLVKDONJSA-N 0 0 291.420 3.837 20 10 CHCDRN C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000756378932 1120283218 /nfs/dbraw/zinc/28/32/18/1120283218.db2.gz KHGHBCSXADKDFG-ZJUUUORDSA-N 0 0 281.302 3.545 20 10 CHCDRN Cc1cccc(C[N@H+](C)Cc2cc(F)c(F)c(F)c2)c1O ZINC000181011697 1120286685 /nfs/dbraw/zinc/28/66/85/1120286685.db2.gz CUKSMMUEFANAMN-UHFFFAOYSA-N 0 0 295.304 3.750 20 10 CHCDRN CCc1cccc(C)c1NC(=O)c1ccc(C)c(O)c1O ZINC000182158255 1120315971 /nfs/dbraw/zinc/31/59/71/1120315971.db2.gz OTCAOEYJQUILHQ-UHFFFAOYSA-N 0 0 285.343 3.529 20 10 CHCDRN Oc1ccccc1CN[C@H](CCc1ccccc1)C(F)F ZINC000779401298 1128910128 /nfs/dbraw/zinc/91/01/28/1128910128.db2.gz SUUUBUNWPHOZPM-OAHLLOKOSA-N 0 0 291.341 3.748 20 10 CHCDRN CCc1cc(NCc2c(C)c3ccccc3n2C)no1 ZINC000672811929 1120355751 /nfs/dbraw/zinc/35/57/51/1120355751.db2.gz ALQKOUJXCMQMEY-UHFFFAOYSA-N 0 0 269.348 3.649 20 10 CHCDRN CCCc1ccccc1NC(=O)c1ccc(C)c(O)c1O ZINC000181952253 1128915111 /nfs/dbraw/zinc/91/51/11/1128915111.db2.gz WRFIAWHMHXILPS-UHFFFAOYSA-N 0 0 285.343 3.611 20 10 CHCDRN C/C=C(\CC)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000190381148 1120499940 /nfs/dbraw/zinc/49/99/40/1120499940.db2.gz GEFISRNEMXZREI-PJQLUOCWSA-N 0 0 274.408 3.505 20 10 CHCDRN Cc1ccc2ncnc(Sc3nccs3)c2c1 ZINC000092621805 1120506343 /nfs/dbraw/zinc/50/63/43/1120506343.db2.gz UPSLRHJVAGDTBG-UHFFFAOYSA-N 0 0 259.359 3.546 20 10 CHCDRN COc1ccc(O)c([C@@H](C)Nc2nc(C(C)C)ns2)c1 ZINC000092650071 1120520960 /nfs/dbraw/zinc/52/09/60/1120520960.db2.gz OAITVGLLSYUMJD-SECBINFHSA-N 0 0 293.392 3.549 20 10 CHCDRN Cc1ccncc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000162701111 1120575059 /nfs/dbraw/zinc/57/50/59/1120575059.db2.gz VVTHLQRXXDKUME-UHFFFAOYSA-N 0 0 297.185 3.692 20 10 CHCDRN COc1cc(N[C@H](C)c2ccc(C)cc2O)cc(OC)c1 ZINC000020088493 1120582056 /nfs/dbraw/zinc/58/20/56/1120582056.db2.gz QZHWTSCJYVFMOE-GFCCVEGCSA-N 0 0 287.359 3.891 20 10 CHCDRN CC(=O)c1c(F)cccc1NCc1ccc(N(C)C)cc1 ZINC000015116840 1120596639 /nfs/dbraw/zinc/59/66/39/1120596639.db2.gz RPUYOWMVOQDISQ-UHFFFAOYSA-N 0 0 286.350 3.706 20 10 CHCDRN CCCC[N@H+](Cc1c(C)noc1C)Cc1ccccc1O ZINC000282394163 1120613063 /nfs/dbraw/zinc/61/30/63/1120613063.db2.gz HBDCXVFDXGAXMP-UHFFFAOYSA-N 0 0 288.391 3.799 20 10 CHCDRN CCc1noc(C)c1CN(C)c1ccc(OC(C)C)cc1 ZINC000759928004 1120843234 /nfs/dbraw/zinc/84/32/34/1120843234.db2.gz LXOSGQIEEGWNTH-UHFFFAOYSA-N 0 0 288.391 3.969 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2cn3ccccc3n2)cc1 ZINC000759929808 1120889622 /nfs/dbraw/zinc/88/96/22/1120889622.db2.gz XYHXYMIBHUHWSP-UHFFFAOYSA-N 0 0 295.386 3.758 20 10 CHCDRN CC(C)(CCc1ccccc1)NC(=O)Nc1ccc(N)cc1 ZINC000317780821 1121046770 /nfs/dbraw/zinc/04/67/70/1121046770.db2.gz STQQZRMTVGPETQ-UHFFFAOYSA-N 0 0 297.402 3.802 20 10 CHCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)CC(C)(C)C)c1 ZINC000773408708 1121056205 /nfs/dbraw/zinc/05/62/05/1121056205.db2.gz VBGMXMOCGPTVLH-VXGBXAGGSA-N 0 0 293.407 3.650 20 10 CHCDRN CC(C)CN(C(=O)Nc1ccc(N)cc1)C1CCCC1 ZINC000094849561 1121119121 /nfs/dbraw/zinc/11/91/21/1121119121.db2.gz CYXWGGIOUUREGW-UHFFFAOYSA-N 0 0 275.396 3.701 20 10 CHCDRN CCCC[C@@H](CCC)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779529896 1128967172 /nfs/dbraw/zinc/96/71/72/1128967172.db2.gz QLXUIVJZXFOJML-CFRMROPGSA-N 0 0 291.391 3.586 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)CC[C@H](C)SC ZINC000773451952 1121171142 /nfs/dbraw/zinc/17/11/42/1121171142.db2.gz IEHHYGMKDDDJJM-ZDUSSCGKSA-N 0 0 295.448 3.663 20 10 CHCDRN CS[C@H]1CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000702005808 1121177527 /nfs/dbraw/zinc/17/75/27/1121177527.db2.gz SLMRCBLBEJNAGO-MNOVXSKESA-N 0 0 292.231 3.683 20 10 CHCDRN CC[N@H+](Cc1ccccc1)Cc1c([O-])cccc1F ZINC001137831951 1121180192 /nfs/dbraw/zinc/18/01/92/1121180192.db2.gz UHTISJNNMZWGRH-UHFFFAOYSA-N 0 0 259.324 3.553 20 10 CHCDRN C[C@H]([NH2+]Cc1ccc(F)cc1F)c1ccc(F)cc1[O-] ZINC000062748429 1121191737 /nfs/dbraw/zinc/19/17/37/1121191737.db2.gz DTAATWVZKHCAOS-VIFPVBQESA-N 0 0 281.277 3.660 20 10 CHCDRN CCC(CC)[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])N(C)C ZINC000062745413 1121192436 /nfs/dbraw/zinc/19/24/36/1121192436.db2.gz LKEZYHLUGSIEKX-WBMJQRKESA-N 0 0 296.430 3.548 20 10 CHCDRN Oc1ccc(F)c(Cl)c1CN1CCCC[C@H](F)C1 ZINC001237122777 1128978692 /nfs/dbraw/zinc/97/86/92/1128978692.db2.gz YRQHOQXOZBEAJP-VIFPVBQESA-N 0 0 275.726 3.509 20 10 CHCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1(C)CC1 ZINC000706955079 1121445923 /nfs/dbraw/zinc/44/59/23/1121445923.db2.gz GITZWKPAYXRJNR-MRVPVSSYSA-N 0 0 274.191 3.977 20 10 CHCDRN Cc1cc(C)cc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000708497364 1121468187 /nfs/dbraw/zinc/46/81/87/1121468187.db2.gz RQWOVZZWQMFELM-UHFFFAOYSA-N 0 0 277.314 3.577 20 10 CHCDRN CCc1ccccc1NC(=S)NCc1ncc(C)cc1C ZINC000243762648 1128988128 /nfs/dbraw/zinc/98/81/28/1128988128.db2.gz QCRSUIZBWZMRPQ-UHFFFAOYSA-N 0 0 299.443 3.747 20 10 CHCDRN Cc1cccnc1CNC(=S)Nc1cccc(Cl)c1 ZINC000243764740 1128989308 /nfs/dbraw/zinc/98/93/08/1128989308.db2.gz QDTUIPYWOKSYQR-UHFFFAOYSA-N 0 0 291.807 3.530 20 10 CHCDRN CCOc1ccc(N(C)C[C@H](OC)C2CCCC2)cc1 ZINC001175947048 1121516173 /nfs/dbraw/zinc/51/61/73/1121516173.db2.gz OLWLMMQMQGIFMX-KRWDZBQOSA-N 0 0 277.408 3.727 20 10 CHCDRN Cc1ccc2ccc(F)c(Nc3cccc(O)c3O)c2n1 ZINC001176116520 1121556994 /nfs/dbraw/zinc/55/69/94/1121556994.db2.gz GYDSNPUMAWVFTJ-UHFFFAOYSA-N 0 0 284.290 3.837 20 10 CHCDRN COc1ccc(C)cc1CSc1ncc([N+](=O)[O-])s1 ZINC000192487019 1128998864 /nfs/dbraw/zinc/99/88/64/1128998864.db2.gz IQJIRNOXMFMOSZ-UHFFFAOYSA-N 0 0 296.373 3.661 20 10 CHCDRN CCC(=O)COC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000727187945 1121706937 /nfs/dbraw/zinc/70/69/37/1121706937.db2.gz AETMFJXCDPOMFQ-UHFFFAOYSA-N 0 0 299.370 3.538 20 10 CHCDRN CC(C)C[C@@H](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000727672783 1121733431 /nfs/dbraw/zinc/73/34/31/1121733431.db2.gz PGTQSTMJHZTQEJ-OAHLLOKOSA-N 0 0 290.451 3.783 20 10 CHCDRN CCN(C)c1ccc(CN2CCC[C@@H]2c2cc(C)on2)cc1 ZINC000773733228 1121773886 /nfs/dbraw/zinc/77/38/86/1121773886.db2.gz IGCTWNNWPUOQRL-GOSISDBHSA-N 0 0 299.418 3.776 20 10 CHCDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1cc(C)ccc1C ZINC000729328876 1121776446 /nfs/dbraw/zinc/77/64/46/1121776446.db2.gz XCTFZCBKZPIEOP-FPLPWBNLSA-N 0 0 298.361 3.904 20 10 CHCDRN CC[C@H](CC(=O)NCc1ccc(N(C)C)c(F)c1)C(C)C ZINC000729349291 1121780275 /nfs/dbraw/zinc/78/02/75/1121780275.db2.gz BFPYHGMHFRGGJX-CQSZACIVSA-N 0 0 294.414 3.580 20 10 CHCDRN CCN(C)c1ccc(CN(CC(F)F)C(C)C)cc1 ZINC000773767594 1121810795 /nfs/dbraw/zinc/81/07/95/1121810795.db2.gz YVDKWVCTVMQXFG-UHFFFAOYSA-N 0 0 270.367 3.618 20 10 CHCDRN CC[C@@H](C)c1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001178911667 1121829670 /nfs/dbraw/zinc/82/96/70/1121829670.db2.gz OQMVYXHCJRJEBL-GFCCVEGCSA-N 0 0 299.370 3.541 20 10 CHCDRN CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001178922433 1121830695 /nfs/dbraw/zinc/83/06/95/1121830695.db2.gz WATZGAHHNDKQTD-NOZJJQNGSA-N 0 0 271.763 3.709 20 10 CHCDRN CC[C@H](C)[C@H](C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001179032762 1121845378 /nfs/dbraw/zinc/84/53/78/1121845378.db2.gz NDIHINVOSHIMEE-STQMWFEESA-N 0 0 285.387 3.844 20 10 CHCDRN CCN1C(=O)/C(=C/c2cccc(C)c2C)SC1=S ZINC000731155444 1121850882 /nfs/dbraw/zinc/85/08/82/1121850882.db2.gz GXDYGGUAKZFKLU-WQLSENKSSA-N 0 0 277.414 3.525 20 10 CHCDRN Cc1ccc(F)c2c1CCCN2C(=O)/C=C/c1cccnc1 ZINC000731582819 1121875447 /nfs/dbraw/zinc/87/54/47/1121875447.db2.gz FZYMXOWPFKUQDY-VQHVLOKHSA-N 0 0 296.345 3.522 20 10 CHCDRN c1ccn(-c2ccc(-c3nc(-c4cccnc4)no3)cc2)c1 ZINC000731791364 1121883131 /nfs/dbraw/zinc/88/31/31/1121883131.db2.gz XHNFJTOHPMLGQH-UHFFFAOYSA-N 0 0 288.310 3.589 20 10 CHCDRN CC[C@@H](NC(=O)C1=CC(=O)CS1)c1cccc(Cl)c1 ZINC000732267981 1121913897 /nfs/dbraw/zinc/91/38/97/1121913897.db2.gz AQPXARAPWOBRDM-GFCCVEGCSA-N 0 0 295.791 3.988 20 10 CHCDRN O=C(NCc1cccc2ccccc21)C1=CC(=O)CS1 ZINC000732269863 1121915861 /nfs/dbraw/zinc/91/58/61/1121915861.db2.gz WKXVKVVZBUVFHY-UHFFFAOYSA-N 0 0 283.352 3.537 20 10 CHCDRN CC[C@@H]1c2ccsc2CCN1C(=O)C1=CC(=O)CS1 ZINC000732287148 1121916308 /nfs/dbraw/zinc/91/63/08/1121916308.db2.gz QNHZILROEXLYQO-LLVKDONJSA-N 0 0 293.413 3.665 20 10 CHCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)c1cccc(F)c1 ZINC000732354104 1121917901 /nfs/dbraw/zinc/91/79/01/1121917901.db2.gz OVXBIEIEDKFYFF-MRVPVSSYSA-N 0 0 266.293 3.511 20 10 CHCDRN Cc1ncc(/C=C/C(=O)N2CCCc3ccc(C)cc32)s1 ZINC000732741924 1121934436 /nfs/dbraw/zinc/93/44/36/1121934436.db2.gz UJIAEQOKNAQQRV-BQYQJAHWSA-N 0 0 298.411 3.753 20 10 CHCDRN CC(C)C[C@@H]1COCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001180267103 1121968775 /nfs/dbraw/zinc/96/87/75/1121968775.db2.gz OEDSCJNAWRTIML-QGZVFWFLSA-N 0 0 291.435 3.763 20 10 CHCDRN CC[C@@H](OC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000733496995 1121994217 /nfs/dbraw/zinc/99/42/17/1121994217.db2.gz OYJOIVQNCGVLOJ-GFCCVEGCSA-N 0 0 262.330 3.762 20 10 CHCDRN C[C@@H]1CCC[C@@H](C[NH2+]Cc2cc(F)c(F)cc2[O-])[C@H]1C ZINC001181233357 1122043824 /nfs/dbraw/zinc/04/38/24/1122043824.db2.gz AMZCUEKTLDGMSZ-WOPDTQHZSA-N 0 0 283.362 3.832 20 10 CHCDRN Cc1cc2c(cc1C)N(Cc1cccc(F)c1O)CC2 ZINC001181673650 1122070104 /nfs/dbraw/zinc/07/01/04/1122070104.db2.gz MZZLRCMCQDBLEO-UHFFFAOYSA-N 0 0 271.335 3.711 20 10 CHCDRN Cc1c(C)n(C)c2ccc(OCc3cn(C(C)C)nn3)cc12 ZINC000421196106 1122080401 /nfs/dbraw/zinc/08/04/01/1122080401.db2.gz IWVFJRCEUYDTIV-UHFFFAOYSA-N 0 0 298.390 3.547 20 10 CHCDRN CC[N@H+](Cc1c([O-])ccc(Cl)c1F)C(C)(C)C ZINC001182042922 1122106291 /nfs/dbraw/zinc/10/62/91/1122106291.db2.gz FCZHXYKSCKFLLP-UHFFFAOYSA-N 0 0 259.752 3.805 20 10 CHCDRN COCC1(C)CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000779606617 1129032445 /nfs/dbraw/zinc/03/24/45/1129032445.db2.gz VRBSYJKYXZAFGH-UHFFFAOYSA-N 0 0 297.826 3.603 20 10 CHCDRN CO[C@H](C)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774168040 1122137289 /nfs/dbraw/zinc/13/72/89/1122137289.db2.gz FMQJEXFKHCKZNR-BDAKNGLRSA-N 0 0 292.206 3.775 20 10 CHCDRN COC(C)(C)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774222003 1122145580 /nfs/dbraw/zinc/14/55/80/1122145580.db2.gz ATFOTFPMDHAKLR-QMMMGPOBSA-N 0 0 292.206 3.775 20 10 CHCDRN Cc1cc(F)cc(N(CCO)c2ccc(N)cc2)c1Cl ZINC001214075973 1122151136 /nfs/dbraw/zinc/15/11/36/1122151136.db2.gz HASSTYDXAWFDNW-UHFFFAOYSA-N 0 0 294.757 3.500 20 10 CHCDRN C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774355513 1122159872 /nfs/dbraw/zinc/15/98/72/1122159872.db2.gz TYZWQLPWYBDPQQ-CIUDSAMLSA-N 0 0 292.206 3.509 20 10 CHCDRN COc1cccc(CNc2nccc3sccc32)c1O ZINC000774523744 1122178464 /nfs/dbraw/zinc/17/84/64/1122178464.db2.gz IHNOIAZHLMPKRE-UHFFFAOYSA-N 0 0 286.356 3.623 20 10 CHCDRN CC[C@@H](Nc1ccc(CCO)cc1)c1ccc(N(C)C)cc1 ZINC000272341440 1122198857 /nfs/dbraw/zinc/19/88/57/1122198857.db2.gz ZRMPVJGVVOONDJ-LJQANCHMSA-N 0 0 298.430 3.851 20 10 CHCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H](C2CCCC2)C1 ZINC001184339771 1122271564 /nfs/dbraw/zinc/27/15/64/1122271564.db2.gz SJDLNZIBLGWONC-AWEZNQCLSA-N 0 0 277.383 3.934 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(-c2csc(CO)c2)cn1 ZINC001205297326 1122276925 /nfs/dbraw/zinc/27/69/25/1122276925.db2.gz DJDCIUGAMKHSNA-UHFFFAOYSA-N 0 0 284.384 3.710 20 10 CHCDRN Cc1cccc2sc(N3Cc4cccc(O)c4C3)nc21 ZINC001187405094 1122427782 /nfs/dbraw/zinc/42/77/82/1122427782.db2.gz LWGLTHRDMGCNDV-UHFFFAOYSA-N 0 0 282.368 3.831 20 10 CHCDRN CCN(C)c1ccc([C@@H](C)Nc2cnn(CC3CC3)c2)cc1 ZINC000183429938 1129054458 /nfs/dbraw/zinc/05/44/58/1129054458.db2.gz JCNMCHGGDXLZMO-CQSZACIVSA-N 0 0 298.434 3.922 20 10 CHCDRN Cc1ccc(NC(=O)N[C@H](C)c2ccccc2O)cc1F ZINC001187999611 1122449828 /nfs/dbraw/zinc/44/98/28/1122449828.db2.gz GARCNRCIGPUDEF-LLVKDONJSA-N 0 0 288.322 3.722 20 10 CHCDRN C[C@@H]1OCC[C@H]1CSc1ncc(C(C)(C)C)s1 ZINC001188939110 1122480911 /nfs/dbraw/zinc/48/09/11/1122480911.db2.gz BEXZQBUSSTZELQ-UWVGGRQHSA-N 0 0 271.451 3.958 20 10 CHCDRN Cc1cccc(C)c1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775403187 1122548799 /nfs/dbraw/zinc/54/87/99/1122548799.db2.gz HGTGJGYGRYCDAA-OAHLLOKOSA-N 0 0 296.414 3.860 20 10 CHCDRN CC[C@H]([NH2+]CCCCCCO)c1cccc(Cl)c1[O-] ZINC000287870573 1122588879 /nfs/dbraw/zinc/58/88/79/1122588879.db2.gz XXLIPTQQDOCYHN-AWEZNQCLSA-N 0 0 285.815 3.639 20 10 CHCDRN Cc1ccc([C@@H](C)NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000080080620 1129066283 /nfs/dbraw/zinc/06/62/83/1129066283.db2.gz PJRVEOAGVKXROF-CQSZACIVSA-N 0 0 298.386 3.603 20 10 CHCDRN COc1cc(NCc2cc(F)ccc2O)ccc1Cl ZINC000193417457 1129075285 /nfs/dbraw/zinc/07/52/85/1129075285.db2.gz SHAHBUCXBAEXAV-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN COCc1ccc(N[C@H](C)c2cc(F)ccc2O)cc1 ZINC000193418971 1129075455 /nfs/dbraw/zinc/07/54/55/1129075455.db2.gz HRYAZFLGUUBMNA-LLVKDONJSA-N 0 0 275.323 3.851 20 10 CHCDRN COCc1ccc(N[C@H](C)c2ccccc2O)cc1 ZINC000193420584 1129076164 /nfs/dbraw/zinc/07/61/64/1129076164.db2.gz GNRYTPPLIRCJFJ-GFCCVEGCSA-N 0 0 257.333 3.712 20 10 CHCDRN COc1c(F)cc(N[C@H](C)c2ccccc2O)cc1F ZINC000183651593 1129076661 /nfs/dbraw/zinc/07/66/61/1129076661.db2.gz BJBFRYLUXSWEJX-SECBINFHSA-N 0 0 279.286 3.852 20 10 CHCDRN O=C(Nc1cccc(O)c1O)Oc1ccc2ccccc2c1 ZINC001194657491 1122788608 /nfs/dbraw/zinc/78/86/08/1122788608.db2.gz NRLWQWQAVFMCTH-UHFFFAOYSA-N 0 0 295.294 3.862 20 10 CHCDRN CCC(CC)COC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001194705768 1122790038 /nfs/dbraw/zinc/79/00/38/1122790038.db2.gz JKYRNLZRJGJRQS-UHFFFAOYSA-N 0 0 292.423 3.757 20 10 CHCDRN CCC(CC)COC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001194724381 1122798139 /nfs/dbraw/zinc/79/81/39/1122798139.db2.gz KCSHLBPCJXCTNT-ZDUSSCGKSA-N 0 0 292.423 3.976 20 10 CHCDRN CCC[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775651305 1122864252 /nfs/dbraw/zinc/86/42/52/1122864252.db2.gz MHDLNLQRMCZEKS-SECBINFHSA-N 0 0 259.752 3.805 20 10 CHCDRN Cc1cncc(/C=C/C(=O)N(C)c2cccc(C)c2C)c1 ZINC000121401874 1122875738 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290.451 3.831 20 10 CHCDRN COc1cc(CSc2ncc(Cl)s2)sn1 ZINC000865372368 1123975630 /nfs/dbraw/zinc/97/56/30/1123975630.db2.gz PHSHIXJNOCMLQP-UHFFFAOYSA-N 0 0 278.811 3.554 20 10 CHCDRN CCc1csc(N[C@H](C)c2cc(OC)ccc2O)n1 ZINC000865508144 1123990680 /nfs/dbraw/zinc/99/06/80/1123990680.db2.gz MCNZVNQOQQIWFB-SECBINFHSA-N 0 0 278.377 3.593 20 10 CHCDRN C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000763648946 1129159564 /nfs/dbraw/zinc/15/95/64/1129159564.db2.gz UACZFSRFPXNJRH-SNVBAGLBSA-N 0 0 283.774 3.949 20 10 CHCDRN CNc1ccccc1N[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC001168070306 1124005864 /nfs/dbraw/zinc/00/58/64/1124005864.db2.gz TWIZDGLEBRAITH-MEDUHNTESA-N 0 0 274.314 3.975 20 10 CHCDRN CN(C)c1ccc(CN[C@H](CF)c2ccc(F)cc2)cc1 ZINC000865823059 1124017761 /nfs/dbraw/zinc/01/77/61/1124017761.db2.gz REECPPPNAPGGDE-QGZVFWFLSA-N 0 0 290.357 3.692 20 10 CHCDRN COc1cccc(NCc2ccc(N(C)C)cc2C)c1F ZINC000840939320 1124030596 /nfs/dbraw/zinc/03/05/96/1124030596.db2.gz WEIWXBUJCCHMFY-UHFFFAOYSA-N 0 0 288.366 3.821 20 10 CHCDRN CCC[C@@H](O)CCCSc1ncc(Cl)s1 ZINC000866033656 1124030695 /nfs/dbraw/zinc/03/06/95/1124030695.db2.gz QCJSCFNYHUNBAG-MRVPVSSYSA-N 0 0 265.831 3.830 20 10 CHCDRN COCc1cc(N[C@H]2CCc3cccc(O)c32)ccc1OC ZINC000866500946 1124073693 /nfs/dbraw/zinc/07/36/93/1124073693.db2.gz IIZAYOJBUZXHCQ-HNNXBMFYSA-N 0 0 299.370 3.647 20 10 CHCDRN Oc1cccc2c1[C@H](Nc1cccc3c1OCCCO3)CC2 ZINC000866618555 1124090405 /nfs/dbraw/zinc/09/04/05/1124090405.db2.gz FQAFTNTZEJWNEF-CYBMUJFWSA-N 0 0 297.354 3.653 20 10 CHCDRN C[C@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1ccc(F)cc1[O-] ZINC000866622557 1124091481 /nfs/dbraw/zinc/09/14/81/1124091481.db2.gz GVRUKCPRKPCPCP-LRDDRELGSA-N 0 0 293.382 3.674 20 10 CHCDRN CN(C)c1ccc(N[C@@H]2CCc3cccc(O)c32)cc1F ZINC000866626344 1124092279 /nfs/dbraw/zinc/09/22/79/1124092279.db2.gz SATFEAMMCOHGNW-CQSZACIVSA-N 0 0 286.350 3.697 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCCC[C@@H]1C ZINC000819382620 1131246723 /nfs/dbraw/zinc/24/67/23/1131246723.db2.gz PGOWIMKIXSVCLQ-HOCLYGCPSA-N 0 0 289.419 3.957 20 10 CHCDRN O[C@H](CNc1ccccc1OCC(F)F)CC1CCCC1 ZINC000819460277 1131251450 /nfs/dbraw/zinc/25/14/50/1131251450.db2.gz JKCVHYGOUUNUSY-ZDUSSCGKSA-N 0 0 299.361 3.684 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC(F)(F)C1 ZINC000795066295 1124504914 /nfs/dbraw/zinc/50/49/14/1124504914.db2.gz IQQRCAWKNCVEBY-LBPRGKRZSA-N 0 0 297.345 3.566 20 10 CHCDRN Cc1ccc(CCCC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871201517 1124602237 /nfs/dbraw/zinc/60/22/37/1124602237.db2.gz WHDNFTYPURZLTG-UHFFFAOYSA-N 0 0 295.382 3.566 20 10 CHCDRN CC(C)[C@H]1CC[C@H](C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871203481 1124602261 /nfs/dbraw/zinc/60/22/61/1124602261.db2.gz MNODFCISVZTXSC-HDJSIYSDSA-N 0 0 287.403 3.697 20 10 CHCDRN CC[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1 ZINC000871204432 1124602439 /nfs/dbraw/zinc/60/24/39/1124602439.db2.gz IUXWVKILMOFNNB-OAHLLOKOSA-N 0 0 299.345 3.567 20 10 CHCDRN O=C(CC1CCCCCC1)N1Cc2cccc(O)c2C1 ZINC000871203810 1124602697 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/nfs/dbraw/zinc/77/00/87/1124770087.db2.gz ZSFGYAJIQAWUGI-UHFFFAOYSA-N 0 0 277.751 3.975 20 10 CHCDRN COc1ccc2c(c1)CCN2CCC(C)(C)SC ZINC000820851811 1131306795 /nfs/dbraw/zinc/30/67/95/1131306795.db2.gz SLGFDWQAWXTGMR-UHFFFAOYSA-N 0 0 265.422 3.589 20 10 CHCDRN Cc1noc(C)c1[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124828497 1124820603 /nfs/dbraw/zinc/82/06/03/1124820603.db2.gz BAAUYPAPRGFIRQ-QMMMGPOBSA-N 0 0 280.755 3.501 20 10 CHCDRN CCCCN(C(=O)/C=C\c1cccnc1C)c1ccncc1 ZINC000876293069 1124936882 /nfs/dbraw/zinc/93/68/82/1124936882.db2.gz SLFHTCQPJMDCTM-FPLPWBNLSA-N 0 0 295.386 3.632 20 10 CHCDRN CSCCCCCCC(=O)Nc1ccc(N)cc1 ZINC000876504874 1124956713 /nfs/dbraw/zinc/95/67/13/1124956713.db2.gz ZVXRLEDEBDKCPE-UHFFFAOYSA-N 0 0 266.410 3.521 20 10 CHCDRN CCOCc1cccc(NCc2ccc(C)cc2O)c1 ZINC000876856036 1124985652 /nfs/dbraw/zinc/98/56/52/1124985652.db2.gz AOQFRCNLYPMCFV-UHFFFAOYSA-N 0 0 271.360 3.849 20 10 CHCDRN [O-]c1c(C[NH2+][C@H]2CCCc3ccccc32)ccc(F)c1F ZINC000876884930 1124987133 /nfs/dbraw/zinc/98/71/33/1124987133.db2.gz HRYCZEAUBKSSOU-HNNXBMFYSA-N 0 0 289.325 3.838 20 10 CHCDRN [O-]c1c(C[NH2+][C@H]2CCc3cc(F)ccc32)ccc(F)c1F ZINC000876974176 1124994675 /nfs/dbraw/zinc/99/46/75/1124994675.db2.gz ZCSBAECUJCHOMB-AWEZNQCLSA-N 0 0 293.288 3.587 20 10 CHCDRN CCC[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccccn1 ZINC000877012838 1124998418 /nfs/dbraw/zinc/99/84/18/1124998418.db2.gz GBZYENSZDBKAEP-ZDUSSCGKSA-N 0 0 292.329 3.696 20 10 CHCDRN CC[C@@](C)([NH2+]Cc1ccc(F)c(F)c1[O-])c1nccs1 ZINC000877048595 1125003251 /nfs/dbraw/zinc/00/32/51/1125003251.db2.gz NLCNBEWHBKRWNR-CQSZACIVSA-N 0 0 298.358 3.542 20 10 CHCDRN CCC[C@@H](C(=O)N(C)c1ccc(N)cc1)c1ccccc1 ZINC000877078952 1125006322 /nfs/dbraw/zinc/00/63/22/1125006322.db2.gz KPIRZFLSHAOZBD-QGZVFWFLSA-N 0 0 282.387 3.816 20 10 CHCDRN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(C)c2ccc(N)cc2)o1 ZINC000877080027 1125006565 /nfs/dbraw/zinc/00/65/65/1125006565.db2.gz DZZVOVHRVSXQBV-WBMJQRKESA-N 0 0 298.386 3.581 20 10 CHCDRN Cc1cccc(O)c1CNc1ccn(CCC(C)C)n1 ZINC000877109712 1125009650 /nfs/dbraw/zinc/00/96/50/1125009650.db2.gz QSZMDMKYFMFGIW-UHFFFAOYSA-N 0 0 273.380 3.555 20 10 CHCDRN CC[C@H](C)n1ncc(NCc2ccc(C)cc2O)c1C ZINC000877473319 1125031268 /nfs/dbraw/zinc/03/12/68/1125031268.db2.gz GMKQFWMOURNOHF-LBPRGKRZSA-N 0 0 273.380 3.789 20 10 CHCDRN CCN(C)c1ccc([C@H](C)NCc2csc(C)n2)cc1 ZINC000126556128 1125032526 /nfs/dbraw/zinc/03/25/26/1125032526.db2.gz NBYKQHWNCIOONS-LBPRGKRZSA-N 0 0 289.448 3.758 20 10 CHCDRN CO[C@H]1CCOc2c(NCc3ccc(C)cc3O)cccc21 ZINC000877486152 1125033295 /nfs/dbraw/zinc/03/32/95/1125033295.db2.gz JVBFDYDXMGPVFO-KRWDZBQOSA-N 0 0 299.370 3.783 20 10 CHCDRN CSC1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000877663101 1125061582 /nfs/dbraw/zinc/06/15/82/1125061582.db2.gz GMEOZAPULGXDGE-UHFFFAOYSA-N 0 0 289.803 3.512 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000878598020 1125164631 /nfs/dbraw/zinc/16/46/31/1125164631.db2.gz VFCRSCCZSZJZLK-HOTGVXAUSA-N 0 0 287.403 3.567 20 10 CHCDRN CCCCc1noc([C@@H](C)N[C@@H](C)c2ccccc2O)n1 ZINC000879652372 1125223594 /nfs/dbraw/zinc/22/35/94/1125223594.db2.gz ZJBURHNUOVDKLC-NWDGAFQWSA-N 0 0 289.379 3.530 20 10 CHCDRN C[C@H](NCc1cc(C(C)(C)C)on1)c1ccccc1O ZINC000879650725 1125224595 /nfs/dbraw/zinc/22/45/95/1125224595.db2.gz POACVQVLWBMASB-NSHDSACASA-N 0 0 274.364 3.529 20 10 CHCDRN C[C@H](Nc1cc(C2CC2)ncn1)c1ccc(N(C)C)cc1 ZINC000882202626 1125340949 /nfs/dbraw/zinc/34/09/49/1125340949.db2.gz DVDSQKLVASWYRU-LBPRGKRZSA-N 0 0 282.391 3.593 20 10 CHCDRN C[C@@H]1CC[C@H](CC(=O)NCCCSc2nccs2)C1 ZINC000129824766 1125351938 /nfs/dbraw/zinc/35/19/38/1125351938.db2.gz ANZNBUVPIQAANM-NEPJUHHUSA-N 0 0 298.477 3.568 20 10 CHCDRN CSC[C@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000130932156 1125370595 /nfs/dbraw/zinc/37/05/95/1125370595.db2.gz JZPQYUXUILRUAC-CQSZACIVSA-N 0 0 287.428 3.873 20 10 CHCDRN C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)c1cc(F)cc(F)c1[O-] ZINC000883256446 1125385673 /nfs/dbraw/zinc/38/56/73/1125385673.db2.gz XXQVJVRUOARZJB-MRVPVSSYSA-N 0 0 291.288 3.756 20 10 CHCDRN CC[C@H]([NH2+][C@@H](CC)[C@H]1CCCOC1)c1ccc(F)cc1[O-] ZINC000883352975 1125400379 /nfs/dbraw/zinc/40/03/79/1125400379.db2.gz LVDSUBYHAJTGGN-RCBQFDQVSA-N 0 0 295.398 3.777 20 10 CHCDRN Cc1cc(Cl)cc([C@@H](C)N[C@H](C)C(F)F)c1O ZINC000883400950 1125409146 /nfs/dbraw/zinc/40/91/46/1125409146.db2.gz YRTYYSWECSNBCY-HTQZYQBOSA-N 0 0 263.715 3.658 20 10 CHCDRN C[C@@]1(c2ccccc2)CCCN1C(=O)Nc1ccc(N)cc1 ZINC000883569691 1125415930 /nfs/dbraw/zinc/41/59/30/1125415930.db2.gz GTJIBPSMMOKYOR-SFHVURJKSA-N 0 0 295.386 3.812 20 10 CHCDRN C[C@H]([NH2+]CCCC(C)(F)F)c1ccc(F)cc1[O-] ZINC000297236157 1129225476 /nfs/dbraw/zinc/22/54/76/1129225476.db2.gz ICRIKVXFSZUPQI-VIFPVBQESA-N 0 0 261.287 3.617 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1C=CCC1 ZINC000282554865 1129272009 /nfs/dbraw/zinc/27/20/09/1129272009.db2.gz SVQRFOATBVQHDR-OAHLLOKOSA-N 0 0 287.403 3.877 20 10 CHCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1C ZINC000734405772 1129307944 /nfs/dbraw/zinc/30/79/44/1129307944.db2.gz KGJBACXTTKJUGP-UHFFFAOYSA-N 0 0 296.414 3.608 20 10 CHCDRN COc1ccc(N(C)C[C@@H](C)c2ccccc2)cc1OC ZINC000735078500 1129330533 /nfs/dbraw/zinc/33/05/33/1129330533.db2.gz MDSMODNZMCHAIA-CQSZACIVSA-N 0 0 285.387 3.944 20 10 CHCDRN COCCCCCN(CC(C)C)c1ccc(OC)cc1 ZINC000735078742 1129330537 /nfs/dbraw/zinc/33/05/37/1129330537.db2.gz TZNBKIKICFNKMD-UHFFFAOYSA-N 0 0 279.424 3.974 20 10 CHCDRN COC(=O)c1cc(Cl)c(F)cc1Nc1ccc(N)cc1 ZINC001160000599 1131369124 /nfs/dbraw/zinc/36/91/24/1131369124.db2.gz YUMDBVXYWZUJII-UHFFFAOYSA-N 0 0 294.713 3.592 20 10 CHCDRN C[C@H]([N@H+](C)Cc1cccc(Br)c1[O-])C1(C)CC1 ZINC000091900660 1129374084 /nfs/dbraw/zinc/37/40/84/1129374084.db2.gz IJHKYAGVPNORCZ-JTQLQIEISA-N 0 0 298.224 3.775 20 10 CHCDRN CC(C)n1ccc(NCc2c(O)ccc(Cl)c2F)n1 ZINC000795587527 1129379154 /nfs/dbraw/zinc/37/91/54/1129379154.db2.gz JXROWKSRZHXJRX-UHFFFAOYSA-N 0 0 283.734 3.574 20 10 CHCDRN Cc1ncc(COc2ccc3c(c2)c(C)c(C)n3C)o1 ZINC000641720369 1129388682 /nfs/dbraw/zinc/38/86/82/1129388682.db2.gz SMANMEYPFZSAAK-UHFFFAOYSA-N 0 0 270.332 3.671 20 10 CHCDRN CCOc1cc(Sc2nccs2)ccc1[N+](=O)[O-] ZINC000092621814 1129400079 /nfs/dbraw/zinc/40/00/79/1129400079.db2.gz GSMHVOBXXBIFNU-UHFFFAOYSA-N 0 0 282.346 3.601 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@@H](C)C2CC2)cc1 ZINC000248125726 1129404762 /nfs/dbraw/zinc/40/47/62/1129404762.db2.gz OMOMIJNPWJUBPO-HNNXBMFYSA-N 0 0 296.414 3.965 20 10 CHCDRN CC[C@H]1CCC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000822265854 1131372345 /nfs/dbraw/zinc/37/23/45/1131372345.db2.gz YQJHOIYLAIYQBP-DOTOQJQBSA-N 0 0 288.435 3.537 20 10 CHCDRN COc1ccc2c(c1)CCCCN2Cc1nc(C)cs1 ZINC000766268751 1129433127 /nfs/dbraw/zinc/43/31/27/1129433127.db2.gz FSRCUKWOMJMEHY-UHFFFAOYSA-N 0 0 288.416 3.803 20 10 CHCDRN COc1ccc2c(c1)CCCCN2CCC(F)(F)F ZINC000766270194 1129433895 /nfs/dbraw/zinc/43/38/95/1129433895.db2.gz RHAIMSLONITCJF-UHFFFAOYSA-N 0 0 273.298 3.790 20 10 CHCDRN CC(=O)Nc1ccc(N[C@H](C)c2cc(F)ccc2O)cc1 ZINC000094616556 1129448254 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C[C@@H](c1ccco1)N(C(=O)Nc1ccc(N)cc1)C1CC1 ZINC000841299823 1132343438 /nfs/dbraw/zinc/34/34/38/1132343438.db2.gz KJISHKXRJUYXSP-NSHDSACASA-N 0 0 285.347 3.619 20 10 CHCDRN Nc1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cc1 ZINC000841302047 1132344109 /nfs/dbraw/zinc/34/41/09/1132344109.db2.gz JWVHWWOTAZWKGH-AWEZNQCLSA-N 0 0 287.388 3.699 20 10 CHCDRN Nc1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)cc1 ZINC000841302048 1132344275 /nfs/dbraw/zinc/34/42/75/1132344275.db2.gz JWVHWWOTAZWKGH-CQSZACIVSA-N 0 0 287.388 3.699 20 10 CHCDRN C[C@H]1CCCC[C@@H]1CCNC(=O)Nc1ccc(N)cc1 ZINC000841300482 1132344699 /nfs/dbraw/zinc/34/46/99/1132344699.db2.gz QABSAONYYAQRDO-QWHCGFSZSA-N 0 0 275.396 3.607 20 10 CHCDRN CCC[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(N)cc1 ZINC000841301158 1132344987 /nfs/dbraw/zinc/34/49/87/1132344987.db2.gz CSVVQCWLOOMYHI-KRWDZBQOSA-N 0 0 297.402 3.802 20 10 CHCDRN Cc1cc(O)c(C[N@H+]2C[C@H](C)CC23CC3)cc1Cl ZINC001231869948 1132384822 /nfs/dbraw/zinc/38/48/22/1132384822.db2.gz BQBSYCFDGBKEQR-SNVBAGLBSA-N 0 0 265.784 3.728 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/nfs/dbraw/zinc/47/43/25/1132474325.db2.gz DAXMEATUIGYYIX-AWEZNQCLSA-N 0 0 297.826 3.903 20 10 CHCDRN C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000842929224 1132478115 /nfs/dbraw/zinc/47/81/15/1132478115.db2.gz NGBRDQKRELTUIP-HRDYMLBCSA-N 0 0 290.190 3.527 20 10 CHCDRN CC(C)CC(C)(C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843159002 1132500103 /nfs/dbraw/zinc/50/01/03/1132500103.db2.gz KJENKVLXQQMFAM-UHFFFAOYSA-N 0 0 273.380 3.566 20 10 CHCDRN Nc1ccc(Cc2noc(/C=C/C3CCCCC3)n2)cc1 ZINC000843158459 1132500888 /nfs/dbraw/zinc/50/08/88/1132500888.db2.gz CYOPFIVUIDJPTC-DHZHZOJOSA-N 0 0 283.375 3.836 20 10 CHCDRN Cc1ccc2c(c1)CC[N@@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC001233079912 1132570276 /nfs/dbraw/zinc/57/02/76/1132570276.db2.gz NGQGWQIAULFEHY-UHFFFAOYSA-N 0 0 289.325 3.537 20 10 CHCDRN Cc1cccc2oc(C(=O)N[C@@H](C)c3ccccc3O)cc21 ZINC001151900922 1132575865 /nfs/dbraw/zinc/57/58/65/1132575865.db2.gz XYKYGOUAEAQCEI-LBPRGKRZSA-N 0 0 295.338 3.938 20 10 CHCDRN O=C(c1cccc(C2CCC2)c1)N1Cc2cccc(O)c2C1 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Cc1cc(Br)c(Nc2ccc(N)cc2)nc1C ZINC001159261527 1132822250 /nfs/dbraw/zinc/82/22/50/1132822250.db2.gz MAAJVXHBWBASKM-UHFFFAOYSA-N 0 0 292.180 3.787 20 10 CHCDRN Nc1ccc(Nc2ccnn2-c2cccc(Cl)c2)cc1 ZINC001159354161 1132832602 /nfs/dbraw/zinc/83/26/02/1132832602.db2.gz AKDYEABTICNLKA-UHFFFAOYSA-N 0 0 284.750 3.852 20 10 CHCDRN Nc1ccc(Nc2c(Cl)ccc(F)c2F)cc1 ZINC001159485825 1132853573 /nfs/dbraw/zinc/85/35/73/1132853573.db2.gz RATSGXNTZXQSDG-UHFFFAOYSA-N 0 0 254.667 3.944 20 10 CHCDRN CCOc1ccc(F)c(Nc2ccc(N)cc2)c1F ZINC001159485191 1132853787 /nfs/dbraw/zinc/85/37/87/1132853787.db2.gz GSJZSIDFCNAURF-UHFFFAOYSA-N 0 0 264.275 3.689 20 10 CHCDRN Cc1cc(OC(C)C)ncc1Nc1ccc(N)cc1 ZINC001159486019 1132854005 /nfs/dbraw/zinc/85/40/05/1132854005.db2.gz UMVOJWHPCNUUMW-UHFFFAOYSA-N 0 0 257.337 3.503 20 10 CHCDRN COc1c(F)ccc(Nc2ccc(N)cc2)c1Cl ZINC001159485639 1132854255 /nfs/dbraw/zinc/85/42/55/1132854255.db2.gz OUPFFHBYNDGPAE-UHFFFAOYSA-N 0 0 266.703 3.814 20 10 CHCDRN COC(=O)c1ccc(C)c(Nc2ccc3c(c2)CCCN3)c1 ZINC001159574890 1132864512 /nfs/dbraw/zinc/86/45/12/1132864512.db2.gz PJQZYLHRGPEPPH-UHFFFAOYSA-N 0 0 296.370 3.883 20 10 CHCDRN CCOC(=O)c1cccc(Nc2ccc3c(c2)CCCN3)c1 ZINC001159656259 1132886257 /nfs/dbraw/zinc/88/62/57/1132886257.db2.gz DYVJMFNVLHTHNF-UHFFFAOYSA-N 0 0 296.370 3.965 20 10 CHCDRN CCOC(=O)c1ccccc1Nc1ccc(NC)cc1 ZINC001159829253 1132914289 /nfs/dbraw/zinc/91/42/89/1132914289.db2.gz QNISNJPPWWAKEX-UHFFFAOYSA-N 0 0 270.332 3.649 20 10 CHCDRN Cc1cccc(CNc2cc(Cl)nc3c2CCC3)c1O ZINC001160768862 1132979968 /nfs/dbraw/zinc/97/99/68/1132979968.db2.gz COTBTPQGAKKVMR-UHFFFAOYSA-N 0 0 288.778 3.850 20 10 CHCDRN Cc1cccc(CNc2nncc3cc(Cl)ccc32)c1O ZINC001160770189 1132980580 /nfs/dbraw/zinc/98/05/80/1132980580.db2.gz WCGJURWMYQSLRM-UHFFFAOYSA-N 0 0 299.761 3.909 20 10 CHCDRN Cc1cccc(CNc2ccc(COC3CCC3)cn2)c1O ZINC001160770751 1132980728 /nfs/dbraw/zinc/98/07/28/1132980728.db2.gz DITRDBQVJBALLG-UHFFFAOYSA-N 0 0 298.386 3.777 20 10 CHCDRN CCc1nc(NCc2cccc(C)c2O)c(Cl)nc1C ZINC001160771292 1132980920 /nfs/dbraw/zinc/98/09/20/1132980920.db2.gz SBYCFOZUMVEQIX-UHFFFAOYSA-N 0 0 291.782 3.627 20 10 CHCDRN Cc1cccc(CNc2cnc3cccc(Cl)c3n2)c1O ZINC001160769689 1132981120 /nfs/dbraw/zinc/98/11/20/1132981120.db2.gz PPGONDNZJQUAFD-UHFFFAOYSA-N 0 0 299.761 3.909 20 10 CHCDRN COc1cc(Cl)ncc1NCc1c(C)cc(C)cc1O ZINC001160808491 1132983307 /nfs/dbraw/zinc/98/33/07/1132983307.db2.gz TVLAOKIVOAHBBD-UHFFFAOYSA-N 0 0 292.766 3.678 20 10 CHCDRN COc1ccnc(Cl)c1NCc1c(C)cc(C)cc1O ZINC001160810973 1132983381 /nfs/dbraw/zinc/98/33/81/1132983381.db2.gz AUAMPZCKCUDYRW-UHFFFAOYSA-N 0 0 292.766 3.678 20 10 CHCDRN Cc1cccc2c(NCc3ccc(N)cc3)nc(Cl)nc12 ZINC001162784311 1133112289 /nfs/dbraw/zinc/11/22/89/1133112289.db2.gz KHBRWBWWMYSBQM-UHFFFAOYSA-N 0 0 298.777 3.786 20 10 CHCDRN CNc1ccccc1NCc1cn(C)c2ccccc12 ZINC001162835047 1133116512 /nfs/dbraw/zinc/11/65/12/1133116512.db2.gz OLGGRDFPQWLSSE-UHFFFAOYSA-N 0 0 265.360 3.832 20 10 CHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1ccc(N)cn1 ZINC001163486274 1133152112 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[O-]c1cccc(F)c1C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC001207621474 1133832792 /nfs/dbraw/zinc/83/27/92/1133832792.db2.gz GCUXTCMAFBMTCB-UHFFFAOYSA-N 0 0 283.705 3.614 20 10 CHCDRN Cc1cc(C[NH2+]Cc2cccc(Cl)c2[O-])cc(Cl)n1 ZINC001207763107 1133845796 /nfs/dbraw/zinc/84/57/96/1133845796.db2.gz LHWAQQQFYYNVDZ-UHFFFAOYSA-N 0 0 297.185 3.692 20 10 CHCDRN Cc1ccc(CN[C@H](c2ccccc2)C(F)F)c(O)c1 ZINC001207872251 1133857873 /nfs/dbraw/zinc/85/78/73/1133857873.db2.gz AKJRDLLGFOZBIA-OAHLLOKOSA-N 0 0 277.314 3.797 20 10 CHCDRN Cc1cc(Nc2ccc3c(c2)OCCN3)c(C)cc1O ZINC001209726969 1134054960 /nfs/dbraw/zinc/05/49/60/1134054960.db2.gz FZDZRRUGWBRGRB-UHFFFAOYSA-N 0 0 270.332 3.557 20 10 CHCDRN Clc1ccccc1Nc1ccc2c(c1)OCCN2 ZINC001209728902 1134056176 /nfs/dbraw/zinc/05/61/76/1134056176.db2.gz UWEHGFLHFOGJRL-UHFFFAOYSA-N 0 0 260.724 3.888 20 10 CHCDRN CCOc1ccc(F)cc1Nc1ccc2c(c1)OCCN2 ZINC001209765980 1134060065 /nfs/dbraw/zinc/06/00/65/1134060065.db2.gz DMQKAZXKGZQJFV-UHFFFAOYSA-N 0 0 288.322 3.772 20 10 CHCDRN COCc1ccc(Nc2ccc3c(c2)OCCN3)cc1F ZINC001209788211 1134064289 /nfs/dbraw/zinc/06/42/89/1134064289.db2.gz IXXWSQCFWWPJPK-UHFFFAOYSA-N 0 0 288.322 3.520 20 10 CHCDRN CO[C@H](C)c1cccc(N(C)c2ccc(N)cc2)c1 ZINC001209956881 1134109982 /nfs/dbraw/zinc/10/99/82/1134109982.db2.gz UFKNFUGDFLBVQT-GFCCVEGCSA-N 0 0 256.349 3.744 20 10 CHCDRN C/C=C(\C)n1c(N)c(/N=N/c2ccccc2)ccc1=N ZINC001210791997 1134297103 /nfs/dbraw/zinc/29/71/03/1134297103.db2.gz HPBNTLRXDBAIBI-IZRBCCIESA-N 0 0 267.336 3.846 20 10 CHCDRN Nc1ccc(Nc2ccccc2N2CCCC2)cc1 ZINC001213610821 1134469153 /nfs/dbraw/zinc/46/91/53/1134469153.db2.gz OLUJPHCIMSBYDO-UHFFFAOYSA-N 0 0 253.349 3.613 20 10 CHCDRN CC(C)=CCC[C@H](C)CC(=O)NCc1ccccc1O ZINC000400806554 1134598796 /nfs/dbraw/zinc/59/87/96/1134598796.db2.gz HJVZXZZVOHUGMG-AWEZNQCLSA-N 0 0 275.392 3.781 20 10 CHCDRN COCOc1cc(C)c(N(C)c2ccc(N)cc2)c(C)c1 ZINC001215168597 1134604170 /nfs/dbraw/zinc/60/41/70/1134604170.db2.gz TZQQMHNCOLKCMO-UHFFFAOYSA-N 0 0 286.375 3.636 20 10 CHCDRN Oc1cccc(Nc2cc3c(cccc3F)o2)c1O ZINC001216293709 1134838525 /nfs/dbraw/zinc/83/85/25/1134838525.db2.gz OMXDKAWOOCHDID-UHFFFAOYSA-N 0 0 259.236 3.727 20 10 CHCDRN Nc1ccc(O[C@@H]2CCc3ccc(Cl)cc32)cc1 ZINC001218389266 1135097342 /nfs/dbraw/zinc/09/73/42/1135097342.db2.gz XIPPNRZBTPVSKS-OAHLLOKOSA-N 0 0 259.736 3.989 20 10 CHCDRN COc1ccc([C@@H](C)Oc2ccc(N)cc2)c(F)c1 ZINC001218443141 1135107273 /nfs/dbraw/zinc/10/72/73/1135107273.db2.gz PQINCZTYZFOCRQ-SNVBAGLBSA-N 0 0 261.296 3.557 20 10 CHCDRN Nc1ccc(CC(=O)Nc2cc3ccccc3s2)cc1 ZINC001218582306 1135118493 /nfs/dbraw/zinc/11/84/93/1135118493.db2.gz UDMUSFAUDWXJRT-UHFFFAOYSA-N 0 0 282.368 3.665 20 10 CHCDRN Cc1ccc(O)c2c1[C@H](C)C[C@H]2Nc1ccc(CCO)cc1 ZINC000316594684 1135168448 /nfs/dbraw/zinc/16/84/48/1135168448.db2.gz HKKUVHSXAIMMLB-CZUORRHYSA-N 0 0 297.398 3.896 20 10 CHCDRN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2Nc1ccc(CCO)cc1 ZINC000316594690 1135168485 /nfs/dbraw/zinc/16/84/85/1135168485.db2.gz HKKUVHSXAIMMLB-XJKSGUPXSA-N 0 0 297.398 3.896 20 10 CHCDRN CCCCCC[C@@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC001222083525 1135190483 /nfs/dbraw/zinc/19/04/83/1135190483.db2.gz BSAIACVJVPIENF-CYBMUJFWSA-N 0 0 290.407 3.776 20 10 CHCDRN COc1ccc(O)c(CNc2cccc(Cl)c2C)c1 ZINC000020087786 170988573 /nfs/dbraw/zinc/98/85/73/170988573.db2.gz UTSULSLFDWIXDA-UHFFFAOYSA-N 0 0 277.751 3.975 20 10 CHCDRN COc1ccc(N[C@H](C)c2cc(C)ccc2O)c(OC)c1 ZINC000035628521 172307260 /nfs/dbraw/zinc/30/72/60/172307260.db2.gz NEMQMVNWSRFAGR-GFCCVEGCSA-N 0 0 287.359 3.891 20 10 CHCDRN COc1c(C)ccc(NCc2ccccc2O)c1C ZINC000037125760 172972398 /nfs/dbraw/zinc/97/23/98/172972398.db2.gz KJSJGEYQKXYLTR-UHFFFAOYSA-N 0 0 257.333 3.630 20 10 CHCDRN Cc1ccc(O)c(CNc2cccc3ncccc32)c1 ZINC000071403823 176155246 /nfs/dbraw/zinc/15/52/46/176155246.db2.gz NYAMZSDJQAIISI-UHFFFAOYSA-N 0 0 264.328 3.861 20 10 CHCDRN C[C@H](CCC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000162618429 261288412 /nfs/dbraw/zinc/28/84/12/261288412.db2.gz OWYHRAMAGMHUCV-OAHLLOKOSA-N 0 0 297.398 3.935 20 10 CHCDRN Cc1cc(NCc2ccc(N3CCCCC3)cc2)no1 ZINC000182219259 261929421 /nfs/dbraw/zinc/92/94/21/261929421.db2.gz XWHJWEHXJSKXBP-UHFFFAOYSA-N 0 0 271.364 3.585 20 10 CHCDRN Cc1conc1NCc1ccc(N2CCCCC2)cc1 ZINC000184040679 262005816 /nfs/dbraw/zinc/00/58/16/262005816.db2.gz XTMRUBJYQIPXMR-UHFFFAOYSA-N 0 0 271.364 3.585 20 10 CHCDRN COC[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185149134 262043349 /nfs/dbraw/zinc/04/33/49/262043349.db2.gz UPJLBLPFEBUJEH-IUCAKERBSA-N 0 0 292.206 3.632 20 10 CHCDRN CC[C@@H](COC)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185504332 262056939 /nfs/dbraw/zinc/05/69/39/262056939.db2.gz DTPNILHMVXPALR-BDAKNGLRSA-N 0 0 292.206 3.775 20 10 CHCDRN COc1cc(C)ccc1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000185714606 262067907 /nfs/dbraw/zinc/06/79/07/262067907.db2.gz NXXFSRPMFLADTR-AWEZNQCLSA-N 0 0 285.387 3.868 20 10 CHCDRN C[C@@H]([NH2+]CCCC(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000276919359 263038511 /nfs/dbraw/zinc/03/85/11/263038511.db2.gz MCQPIPHWDYAWGT-SSDOTTSWSA-N 0 0 283.240 3.664 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)[C@H](C)OC)c1cccc(Cl)c1[O-] ZINC000290051078 263114354 /nfs/dbraw/zinc/11/43/54/263114354.db2.gz FBLVRJXZFDASCV-NRUUGDAUSA-N 0 0 271.788 3.510 20 10 CHCDRN CCCCc1ccc(N(C)C(=O)Cc2ccc(N)cc2)cc1 ZINC000162727105 264334314 /nfs/dbraw/zinc/33/43/14/264334314.db2.gz HIDYVIMTNUWQLA-UHFFFAOYSA-N 0 0 296.414 3.817 20 10 CHCDRN CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185389963 327839500 /nfs/dbraw/zinc/83/95/00/327839500.db2.gz MHQIJMWDLDTVLM-SDBXPKJASA-N 0 0 292.206 3.511 20 10 CHCDRN Cc1nc(COc2ccc3c(c2)c(C)c(C)n3C)oc1C ZINC000421202154 329805541 /nfs/dbraw/zinc/80/55/41/329805541.db2.gz PTEVTZLVYJPUOK-UHFFFAOYSA-N 0 0 284.359 3.979 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCC(C)C ZINC000471224031 331503935 /nfs/dbraw/zinc/50/39/35/331503935.db2.gz LWOMWXFFPYQJKD-UHFFFAOYSA-N 0 0 272.392 3.539 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CC12CCCC2 ZINC000471225006 331504011 /nfs/dbraw/zinc/50/40/11/331504011.db2.gz YLQXYONWIXDWEQ-OAHLLOKOSA-N 0 0 296.414 3.683 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CC[C@@H](C)C1 ZINC000471237831 331504524 /nfs/dbraw/zinc/50/45/24/331504524.db2.gz DOIKSHLZIFPOIM-OCCSQVGLSA-N 0 0 284.403 3.539 20 10 CHCDRN Cc1ccc(/C=C/C(=O)N(C)c2ccc3cc[nH]c3c2)cn1 ZINC000491997662 332378592 /nfs/dbraw/zinc/37/85/92/332378592.db2.gz GIKAJMGCSSXEQM-VMPITWQZSA-N 0 0 291.354 3.548 20 10 CHCDRN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000236614501 519686855 /nfs/dbraw/zinc/68/68/55/519686855.db2.gz HIOPSIULHIJJCY-DOTOQJQBSA-N 0 0 288.435 3.532 20 10 CHCDRN CCC[C@@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000080130049 520575072 /nfs/dbraw/zinc/57/50/72/520575072.db2.gz AYPPAAMENTWOLD-QGZVFWFLSA-N 0 0 297.398 3.935 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccccc1C ZINC000299679770 521688178 /nfs/dbraw/zinc/68/81/78/521688178.db2.gz SPHPEDDCFVSHHZ-UHFFFAOYSA-N 0 0 297.398 3.682 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC[C@H]1C ZINC000066704004 521688335 /nfs/dbraw/zinc/68/83/35/521688335.db2.gz QSLYTJDEQHRJAL-HIFRSBDPSA-N 0 0 290.407 3.502 20 10 CHCDRN CC[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])OC ZINC000290091894 522199622 /nfs/dbraw/zinc/19/96/22/522199622.db2.gz HKYIOYTXZVSTBP-DTWKUNHWSA-N 0 0 292.206 3.775 20 10 CHCDRN COc1cc(C)c(N[C@H](C)c2ccccc2O)cc1OC ZINC000037056879 522219971 /nfs/dbraw/zinc/21/99/71/522219971.db2.gz SFQATBLQNUXHKD-GFCCVEGCSA-N 0 0 287.359 3.891 20 10 CHCDRN CC[C@H]([NH2+]CC1CCSCC1)c1ccc(F)cc1[O-] ZINC000285976836 522577906 /nfs/dbraw/zinc/57/79/06/522577906.db2.gz HKOLSPLQGLMFSA-AWEZNQCLSA-N 0 0 283.412 3.715 20 10 CHCDRN CC[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000286107486 522598264 /nfs/dbraw/zinc/59/82/64/522598264.db2.gz MYRTWMXECQMXCG-ZFWWWQNUSA-N 0 0 281.371 3.531 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)c1cccc(Cl)c1[O-] ZINC000287683902 522618703 /nfs/dbraw/zinc/61/87/03/522618703.db2.gz MTJUJPIJYLILAV-ZOWXZIJZSA-N 0 0 297.826 3.901 20 10 CHCDRN CC[C@H]1CCCC[C@H]1NC(=O)N(C)Cc1ccccc1O ZINC000079540959 523056984 /nfs/dbraw/zinc/05/69/84/523056984.db2.gz PPPQGMCBVCHTNP-DZGCQCFKSA-N 0 0 290.407 3.502 20 10 CHCDRN C[C@@H](CC1CCCCC1)C(=O)Nc1ccc(N)cc1 ZINC000237492917 524436805 /nfs/dbraw/zinc/43/68/05/524436805.db2.gz DBYHHQXXWWLMQH-LBPRGKRZSA-N 0 0 260.381 3.814 20 10 CHCDRN C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000276971366 525366400 /nfs/dbraw/zinc/36/64/00/525366400.db2.gz UFTVRODYWZLAGC-WOPDTQHZSA-N 0 0 299.361 3.526 20 10 CHCDRN COc1cccc(CNc2ccc([C@@H]3CCOC3)cc2)c1O ZINC000293000099 526041224 /nfs/dbraw/zinc/04/12/24/526041224.db2.gz NAZLMIUREJTVOI-OAHLLOKOSA-N 0 0 299.370 3.517 20 10 CHCDRN Oc1c(Cl)cccc1CNc1cc(C2CC2)ccn1 ZINC000290855771 526327987 /nfs/dbraw/zinc/32/79/87/526327987.db2.gz JIHKJGQPUOKWBW-UHFFFAOYSA-N 0 0 274.751 3.930 20 10 CHCDRN [O-]c1c(F)cccc1C[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000279940518 526331281 /nfs/dbraw/zinc/33/12/81/526331281.db2.gz YSWCINSKRFDYLX-INIZCTEOSA-N 0 0 289.325 3.838 20 10 CHCDRN Oc1ccc(F)cc1CNc1ccc([C@@H]2CCOC2)cc1 ZINC000293706989 526351153 /nfs/dbraw/zinc/35/11/53/526351153.db2.gz SBWKSMNORQCNJA-CYBMUJFWSA-N 0 0 287.334 3.647 20 10 CHCDRN Cc1noc(C)c1C(C)(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000289762379 526476729 /nfs/dbraw/zinc/47/67/29/526476729.db2.gz JXGSADLDZNHFKT-UHFFFAOYSA-N 0 0 294.782 3.675 20 10 CHCDRN Cc1nc([C@H](C)Sc2ncc(C(C)(C)C)s2)no1 ZINC000278676012 527068052 /nfs/dbraw/zinc/06/80/52/527068052.db2.gz YDHITSPZFKSSEL-ZETCQYMHSA-N 0 0 283.422 3.985 20 10 CHCDRN Nc1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000110408816 527493453 /nfs/dbraw/zinc/49/34/53/527493453.db2.gz BOCOPBDTQRKECN-UWVGGRQHSA-N 0 0 286.297 3.576 20 10 CHCDRN CC[C@@H]1CCC[N@@H+]1Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000736940935 599767837 /nfs/dbraw/zinc/76/78/37/599767837.db2.gz VQWNJKQIQYGBPM-CYBMUJFWSA-N 0 0 299.370 3.618 20 10 CHCDRN CCO[C@H](CC[NH2+][C@H](C)c1ccc(F)cc1[O-])C(C)C ZINC000185625489 1117859020 /nfs/dbraw/zinc/85/90/20/1117859020.db2.gz AQTUKKRXSNAEAO-MLGOLLRUSA-N 0 0 283.387 3.633 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CC(C)C ZINC000133638308 1125481140 /nfs/dbraw/zinc/48/11/40/1125481140.db2.gz RHBPYOFOVBVJRZ-AWEZNQCLSA-N 0 0 292.423 3.748 20 10 CHCDRN CCCC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000393797039 1119969477 /nfs/dbraw/zinc/96/94/77/1119969477.db2.gz KGWUDXWXTHCAKH-SNVBAGLBSA-N 0 0 286.213 3.914 20 10 CHCDRN CC[N@H+](Cc1ccc(Cl)cc1[O-])[C@H](C)C(C)C ZINC001180043667 1121942103 /nfs/dbraw/zinc/94/21/03/1121942103.db2.gz WODWLKMJSVUZQZ-LLVKDONJSA-N 0 0 255.789 3.912 20 10 CHCDRN Clc1cnc(SC2CCC3(CC2)OCCO3)s1 ZINC000849999864 1123236028 /nfs/dbraw/zinc/23/60/28/1123236028.db2.gz AUPJIXINSYIBLI-UHFFFAOYSA-N 0 0 291.825 3.574 20 10 CHCDRN Clc1cccnc1NCCCSc1nccs1 ZINC000301779118 1123932122 /nfs/dbraw/zinc/93/21/22/1123932122.db2.gz MJGOWSCRNMYAFZ-UHFFFAOYSA-N 0 0 285.825 3.786 20 10 CHCDRN C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1ccc(Cl)cc1[O-] ZINC000866403880 1124063595 /nfs/dbraw/zinc/06/35/95/1124063595.db2.gz SLDHLVWHHLXMKI-GHMZBOCLSA-N 0 0 285.840 3.839 20 10 CHCDRN CC(C)c1nccc(NCc2cc(Cl)ccc2O)n1 ZINC000845709083 1131652862 /nfs/dbraw/zinc/65/28/62/1131652862.db2.gz MDTIMAQUGWMJRR-UHFFFAOYSA-N 0 0 277.755 3.571 20 10 CHCDRN CC[C@H](N[C@H](C)c1ccc(N(C)CC)cc1)C(F)F ZINC000834826641 1131707788 /nfs/dbraw/zinc/70/77/88/1131707788.db2.gz GIUZGWCTIDCIQU-RISCZKNCSA-N 0 0 270.367 3.837 20 10 CHCDRN Cc1ncc(CC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])s1 ZINC000841747592 1132390504 /nfs/dbraw/zinc/39/05/04/1132390504.db2.gz CSQMIXYHPDWJET-SECBINFHSA-N 0 0 296.823 3.704 20 10 CHCDRN C[C@H]([NH2+]CC1(C)CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841753272 1132391123 /nfs/dbraw/zinc/39/11/23/1132391123.db2.gz YLVLMTBVERAIQN-NSHDSACASA-N 0 0 283.799 3.513 20 10 CHCDRN CN(c1ccc(N)cc1)c1cc(F)ccc1Cl ZINC001216480070 1134902929 /nfs/dbraw/zinc/90/29/29/1134902929.db2.gz VGLCVGFKHQNTTJ-UHFFFAOYSA-N 0 0 250.704 3.829 20 10 CHCDRN C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1ccc(Cl)cc1[O-] ZINC000841756642 1125593996 /nfs/dbraw/zinc/59/39/96/1125593996.db2.gz ZIPQPPXILXGHDY-XZJROXQQSA-N 0 0 297.826 3.637 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(Cl)cc1[O-] ZINC000841758913 1125600295 /nfs/dbraw/zinc/60/02/95/1125600295.db2.gz WDYBQUHMKUHBTH-JYILRKAJSA-N 0 0 265.784 3.885 20 10 CHCDRN Cc1[nH]nc(NCc2ccc(N3CCCCC3)cc2)c1C ZINC000886196269 1125659993 /nfs/dbraw/zinc/65/99/93/1125659993.db2.gz MYKNBWPRNUMFKM-UHFFFAOYSA-N 0 0 284.407 3.629 20 10 CHCDRN CCOc1ccccc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886510055 1125681454 /nfs/dbraw/zinc/68/14/54/1125681454.db2.gz RLDGBRGWXSWCBS-LBPRGKRZSA-N 0 0 289.350 3.781 20 10 CHCDRN Cc1ccncc1[C@@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886542612 1125686952 /nfs/dbraw/zinc/68/69/52/1125686952.db2.gz CPTQVEQXTIECLU-VXGBXAGGSA-N 0 0 274.339 3.647 20 10 CHCDRN CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)c2c([O-])cccc2F)CCO1 ZINC000886580249 1125692731 /nfs/dbraw/zinc/69/27/31/1125692731.db2.gz BFHQOHLKHGFNQP-MGPQQGTHSA-N 0 0 295.398 3.776 20 10 CHCDRN COc1cccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c1C ZINC000886639574 1125701520 /nfs/dbraw/zinc/70/15/20/1125701520.db2.gz GKPQKSUBZFJPSC-LBPRGKRZSA-N 0 0 289.350 3.699 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(F)cc1[O-] ZINC000886684265 1125706832 /nfs/dbraw/zinc/70/68/32/1125706832.db2.gz IORFJZPPXXBYTM-CQSZACIVSA-N 0 0 290.338 3.638 20 10 CHCDRN CO[C@@H](C[NH2+][C@H](C)c1ccc2ccccc2c1O)C1CC1 ZINC000293669340 1129179576 /nfs/dbraw/zinc/17/95/76/1129179576.db2.gz JHJVEAVNCJPFHE-PXAZEXFGSA-N 0 0 285.387 3.621 20 10 CHCDRN CN(Cc1cc(Cl)cn1C)Cc1c(O)cccc1Cl ZINC000770305034 1129944498 /nfs/dbraw/zinc/94/44/98/1129944498.db2.gz RJJXHZFLLSPXFT-UHFFFAOYSA-N 0 0 299.201 3.670 20 10 CHCDRN c1csc(SCCCc2nc3ccccc3[nH]2)n1 ZINC000788100073 1130172031 /nfs/dbraw/zinc/17/20/31/1130172031.db2.gz UYJKVMATZRIAEQ-UHFFFAOYSA-N 0 0 275.402 3.744 20 10 CHCDRN COc1ccc(CNc2nccc3sccc32)c(O)c1 ZINC000795283568 1129210266 /nfs/dbraw/zinc/21/02/66/1129210266.db2.gz BUPIGZRUBGNELE-UHFFFAOYSA-N 0 0 286.356 3.623 20 10 CHCDRN CCOCCC1(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187802727 1126914362 /nfs/dbraw/zinc/91/43/62/1126914362.db2.gz PGJHNDPFLVEXIT-LLVKDONJSA-N 0 0 299.361 3.528 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCCc2occc21)c1ccc(F)c(F)c1[O-] ZINC000191200322 1126949166 /nfs/dbraw/zinc/94/91/66/1126949166.db2.gz WERQAOUAVYIBCC-ZANVPECISA-N 0 0 293.313 3.992 20 10 CHCDRN CC[C@](C)(O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192841695 1126964699 /nfs/dbraw/zinc/96/46/99/1126964699.db2.gz GDNKLPMUSLGTEM-OQPBUACISA-N 0 0 292.206 3.511 20 10 CHCDRN Cc1c(NCc2cc(C)ccc2O)cnn1C1CCCC1 ZINC000195455957 1126980266 /nfs/dbraw/zinc/98/02/66/1126980266.db2.gz DRRKFIWBITWULD-UHFFFAOYSA-N 0 0 285.391 3.933 20 10 CHCDRN Oc1ccc(Cl)cc1C[NH2+]Cc1ccc(Cl)o1 ZINC000698049105 1127014932 /nfs/dbraw/zinc/01/49/32/1127014932.db2.gz LQFSNEQGPJYZTC-UHFFFAOYSA-N 0 0 272.131 3.582 20 10 CHCDRN O=C(NCc1ccccc1O)C1(c2ccccc2)CCCC1 ZINC000269147618 1127035889 /nfs/dbraw/zinc/03/58/89/1127035889.db2.gz OLYNIQZWUUOOEK-UHFFFAOYSA-N 0 0 295.382 3.520 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)CC[C@H](C)CC ZINC000797190170 1130968806 /nfs/dbraw/zinc/96/88/06/1130968806.db2.gz BMRQSVCEAPOOQT-CQSZACIVSA-N 0 0 277.408 3.957 20 10 CHCDRN C[C@@H](NCc1ccc(N2CCCC2)cc1)c1cscn1 ZINC000271172206 1127071324 /nfs/dbraw/zinc/07/13/24/1127071324.db2.gz UMVXRUPMQGJPTH-CYBMUJFWSA-N 0 0 287.432 3.594 20 10 CHCDRN CC(C)C[N@H+](C)Cc1c([O-])ccc(Cl)c1Cl ZINC001237078000 1131048202 /nfs/dbraw/zinc/04/82/02/1131048202.db2.gz MBPUSYCVIXJDAH-UHFFFAOYSA-N 0 0 262.180 3.787 20 10 CHCDRN CC[C@@H]1CCCC[N@@H+]1Cc1c(O)ccc(F)c1Cl ZINC001237126106 1131054408 /nfs/dbraw/zinc/05/44/08/1131054408.db2.gz JAYJGCPDALAVEW-SNVBAGLBSA-N 0 0 271.763 3.949 20 10 CHCDRN Oc1ccc(C(F)(F)F)cc1CN1CCCC(F)(F)C1 ZINC001237135247 1131057015 /nfs/dbraw/zinc/05/70/15/1131057015.db2.gz GHPNSKFWUVAMRC-UHFFFAOYSA-N 0 0 295.251 3.642 20 10 CHCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2(C)CCCCC2)c1 ZINC000156402562 1127154833 /nfs/dbraw/zinc/15/48/33/1127154833.db2.gz MGYXUZZFUJQNLZ-GFCCVEGCSA-N 0 0 291.391 3.548 20 10 CHCDRN CN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccc(F)cc1 ZINC000156396689 1127154893 /nfs/dbraw/zinc/15/48/93/1127154893.db2.gz XSPLUAVUACWYBY-YCRREMRBSA-N 0 0 290.725 3.550 20 10 CHCDRN C[C@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])C2(CC2)C1 ZINC001237623272 1131118563 /nfs/dbraw/zinc/11/85/63/1131118563.db2.gz KSWZLODHSBVGFI-SECBINFHSA-N 0 0 269.747 3.559 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)C[C@@H]1CCCC(C)(C)C1 ZINC000156818259 1127190892 /nfs/dbraw/zinc/19/08/92/1127190892.db2.gz HXYPMKHDKDQJDU-AWEZNQCLSA-N 0 0 289.419 3.957 20 10 CHCDRN CC[C@H]([NH2+]CC1(CC)CCOCC1)c1ccc(F)cc1[O-] ZINC000286161803 1127260924 /nfs/dbraw/zinc/26/09/24/1127260924.db2.gz PWJFRMSKBGUMBG-HNNXBMFYSA-N 0 0 295.398 3.779 20 10 CHCDRN CC[C@@H]([NH2+]CCc1ccccn1)c1cccc(Cl)c1[O-] ZINC000286844358 1127274504 /nfs/dbraw/zinc/27/45/04/1127274504.db2.gz FHMGVQCOZWDSHM-OAHLLOKOSA-N 0 0 290.794 3.724 20 10 CHCDRN COCC(C)(C)CCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000286934338 1127276007 /nfs/dbraw/zinc/27/60/07/1127276007.db2.gz GKPDPKFXJRZTMF-LBPRGKRZSA-N 0 0 283.387 3.635 20 10 CHCDRN CC[C@@H](N[C@@H](C)C(F)(F)F)c1ccc(F)cc1O ZINC000287201014 1127296612 /nfs/dbraw/zinc/29/66/12/1127296612.db2.gz DSVVATJGYLSLAZ-OIBJUYFYSA-N 0 0 265.250 3.523 20 10 CHCDRN Cc1ccc(O)c([C@H](C)N[C@@H](C2CC2)C(F)(F)F)c1 ZINC000287262300 1127298672 /nfs/dbraw/zinc/29/86/72/1127298672.db2.gz ILWMZQJLXICQSW-ZANVPECISA-N 0 0 273.298 3.692 20 10 CHCDRN C[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1ccc(F)cc1O ZINC000287443388 1127305564 /nfs/dbraw/zinc/30/55/64/1127305564.db2.gz UPGAGURPDHJXJY-KRTXAFLBSA-N 0 0 277.261 3.523 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cccc(Cl)c1[O-] ZINC000287606884 1127311204 /nfs/dbraw/zinc/31/12/04/1127311204.db2.gz IXSURRNZJNONCG-BYCMXARLSA-N 0 0 297.826 3.637 20 10 CHCDRN CCC[C@H](CCO)C[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000287886562 1127314306 /nfs/dbraw/zinc/31/43/06/1127314306.db2.gz YSRYBDSYGGPCBZ-IUODEOHRSA-N 0 0 299.842 3.885 20 10 CHCDRN CCOc1cc(C)ccc1NCc1cc(F)ccc1O ZINC000226581334 1127411426 /nfs/dbraw/zinc/41/14/26/1127411426.db2.gz DRTANIMGLKWPQR-UHFFFAOYSA-N 0 0 275.323 3.851 20 10 CHCDRN CCOc1cccc(CN(C)c2ccc(OC)c(F)c2)c1 ZINC001308676224 1127428244 /nfs/dbraw/zinc/42/82/44/1127428244.db2.gz FXTWTCRDOKZYFN-UHFFFAOYSA-N 0 0 289.350 3.869 20 10 CHCDRN CCSCC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000168807411 1127471121 /nfs/dbraw/zinc/47/11/21/1127471121.db2.gz ISRPPBGPGPUQNW-QWRGUYRKSA-N 0 0 271.401 3.714 20 10 CHCDRN COCCCC1(CN(C)c2ccc(OC)cc2)CCC1 ZINC001308849251 1127508134 /nfs/dbraw/zinc/50/81/34/1127508134.db2.gz GIDCDMIBIMOTMN-UHFFFAOYSA-N 0 0 277.408 3.728 20 10 CHCDRN CCCN(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000060374422 1127520041 /nfs/dbraw/zinc/52/00/41/1127520041.db2.gz FRQYNWRJYDJANZ-UHFFFAOYSA-N 0 0 289.400 3.936 20 10 CHCDRN CCOc1ccc(O)c(CN(C)c2cccc(C)c2)c1 ZINC000761214115 1127530967 /nfs/dbraw/zinc/53/09/67/1127530967.db2.gz FHISGYAIBQQQET-UHFFFAOYSA-N 0 0 271.360 3.736 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228175128 1127537139 /nfs/dbraw/zinc/53/71/39/1127537139.db2.gz AMKSISZJCGELTM-SMDDNHRTSA-N 0 0 265.784 3.810 20 10 CHCDRN CSc1cccc(N(C)Cc2cc(F)ccc2O)c1 ZINC000761220625 1127543900 /nfs/dbraw/zinc/54/39/00/1127543900.db2.gz HLNLMVLHMKPLDP-UHFFFAOYSA-N 0 0 277.364 3.890 20 10 CHCDRN COc1ccc(N(C)C[C@@H]2C[C@@H]2c2ccccc2)cc1OC ZINC000761222105 1127548617 /nfs/dbraw/zinc/54/86/17/1127548617.db2.gz QOLAMITVMRFULI-DOTOQJQBSA-N 0 0 297.398 3.944 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)CC(C)(C)O)c1cccc(Cl)c1[O-] ZINC000295843647 1127654987 /nfs/dbraw/zinc/65/49/87/1127654987.db2.gz AQVPBMAXRNKLPQ-GWCFXTLKSA-N 0 0 285.815 3.636 20 10 CHCDRN Oc1ccc2c(c1)CN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001118884479 1131240494 /nfs/dbraw/zinc/24/04/94/1131240494.db2.gz ZJVMBGZYPZXNRE-UHFFFAOYSA-N 0 0 294.398 3.508 20 10 CHCDRN CCCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)C1CC1 ZINC000171557032 1127712091 /nfs/dbraw/zinc/71/20/91/1127712091.db2.gz CAODNZPYUUYCIB-UHFFFAOYSA-N 0 0 297.402 3.504 20 10 CHCDRN C[C@@H](Nc1cnn([C@H](C)C2CC2)c1)c1ccccc1O ZINC000187610409 1127727531 /nfs/dbraw/zinc/72/75/31/1127727531.db2.gz DMEVPGBEKRIRFO-VXGBXAGGSA-N 0 0 271.364 3.733 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000230407933 1127752377 /nfs/dbraw/zinc/75/23/77/1127752377.db2.gz IXDZFOJUWGSKKR-IJLUTSLNSA-N 0 0 251.345 3.618 20 10 CHCDRN O=C1NC(=S)S/C1=C\c1csc(Cl)c1Cl ZINC000761375287 1127767241 /nfs/dbraw/zinc/76/72/41/1127767241.db2.gz GZWRYUWOIMXGOE-RJRFIUFISA-N 0 0 296.225 3.544 20 10 CHCDRN C[C@@H]([NH2+]CCc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000062744755 1127772371 /nfs/dbraw/zinc/77/23/71/1127772371.db2.gz NBMPUQLORVIUEZ-LLVKDONJSA-N 0 0 277.314 3.564 20 10 CHCDRN C[C@H](Cc1ccsc1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062748206 1127773859 /nfs/dbraw/zinc/77/38/59/1127773859.db2.gz KZHFJCYPMUHVDP-GHMZBOCLSA-N 0 0 279.380 3.875 20 10 CHCDRN CCc1cc(NCc2ccc(N3CCCC3)cc2)nc(C)n1 ZINC000172711416 1127779526 /nfs/dbraw/zinc/77/95/26/1127779526.db2.gz WWPMUWKFIILOEL-UHFFFAOYSA-N 0 0 296.418 3.560 20 10 CHCDRN CSc1ccccc1C(=O)N1CCS[C@@H](C(C)C)C1 ZINC000174259303 1127885921 /nfs/dbraw/zinc/88/59/21/1127885921.db2.gz KXIKQARKYGSASR-CQSZACIVSA-N 0 0 295.473 3.622 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccccc1O ZINC000375344476 1127941597 /nfs/dbraw/zinc/94/15/97/1127941597.db2.gz FPJBANFGHHZTDK-IAQYHMDHSA-N 0 0 287.334 3.706 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1ccccc1O ZINC000375344477 1127941752 /nfs/dbraw/zinc/94/17/52/1127941752.db2.gz FPJBANFGHHZTDK-XHDPSFHLSA-N 0 0 287.334 3.706 20 10 CHCDRN Cc1ccc(C(=O)N(c2ccccc2)C2CCC2)c(O)c1O ZINC000913673558 1128072474 /nfs/dbraw/zinc/07/24/74/1128072474.db2.gz KESGUARCNYWKPM-UHFFFAOYSA-N 0 0 297.354 3.606 20 10 CHCDRN COc1ccc(O)c(CNc2cnc3ccccc3c2)c1 ZINC000034099356 1128125077 /nfs/dbraw/zinc/12/50/77/1128125077.db2.gz RFZFEZNJMBMEKN-UHFFFAOYSA-N 0 0 280.327 3.561 20 10 CHCDRN c1nc2c(s1)CN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138220655 1128147958 /nfs/dbraw/zinc/14/79/58/1128147958.db2.gz KZIQHMYDTLYANO-UHFFFAOYSA-N 0 0 299.443 3.649 20 10 CHCDRN CC[C@@H](C)C[C@@H](CC)Oc1cc(O)c(O)cc1C(C)=O ZINC001234473153 1128194014 /nfs/dbraw/zinc/19/40/14/1128194014.db2.gz CKYOZNGUOAXCLP-ZYHUDNBSSA-N 0 0 280.364 3.894 20 10 CHCDRN Cc1ccccc1-c1nnc(Sc2nccs2)o1 ZINC000914862764 1128255546 /nfs/dbraw/zinc/25/55/46/1128255546.db2.gz DSMJFJHHZGLQKA-UHFFFAOYSA-N 0 0 275.358 3.653 20 10 CHCDRN CC(C)(O)C=CNc1cccc2c1C(=O)c1ccccc1-2 ZINC001203224750 1128199651 /nfs/dbraw/zinc/19/96/51/1128199651.db2.gz QBKXAKZDZJSFCK-ZHACJKMWSA-N 0 0 279.339 3.595 20 10 CHCDRN C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000762140986 1128273234 /nfs/dbraw/zinc/27/32/34/1128273234.db2.gz MGNNGHVEWKETPK-CYBMUJFWSA-N 0 0 282.387 3.705 20 10 CHCDRN Cc1c(Cl)cccc1NNC(=S)Nc1ccccc1 ZINC000915121179 1128283490 /nfs/dbraw/zinc/28/34/90/1128283490.db2.gz ZEMKRRRFJHKOJS-UHFFFAOYSA-N 0 0 291.807 3.962 20 10 CHCDRN CCc1ccccc1NNC(=S)Nc1ccc(C)cc1 ZINC000915121972 1128283841 /nfs/dbraw/zinc/28/38/41/1128283841.db2.gz WPJJYKUJZBVOBA-UHFFFAOYSA-N 0 0 285.416 3.871 20 10 CHCDRN CCc1ncc(CN(C)c2ccc(OC)c(Cl)c2)o1 ZINC000929826519 1128289204 /nfs/dbraw/zinc/28/92/04/1128289204.db2.gz NLOBLXDNYDKPLJ-UHFFFAOYSA-N 0 0 280.755 3.535 20 10 CHCDRN Cc1ccccc1NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000915301329 1128302779 /nfs/dbraw/zinc/30/27/79/1128302779.db2.gz URKICPFGRVJUJR-UHFFFAOYSA-N 0 0 297.402 3.725 20 10 CHCDRN COc1cccc(O)c1CNc1cnc2ccccc2c1 ZINC000762784223 1128317942 /nfs/dbraw/zinc/31/79/42/1128317942.db2.gz BLUNMGQCQWLFKN-UHFFFAOYSA-N 0 0 280.327 3.561 20 10 CHCDRN CCC/C(C)=C/C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000762813825 1128318330 /nfs/dbraw/zinc/31/83/30/1128318330.db2.gz PQBOXWYBJWTHQB-ACCUITESSA-N 0 0 287.403 3.634 20 10 CHCDRN CCC1(C(=O)N[C@@H](C)c2cc(OC)ccc2O)CCCC1 ZINC000153939254 1128416301 /nfs/dbraw/zinc/41/63/01/1128416301.db2.gz DFICODHUEBPAMG-LBPRGKRZSA-N 0 0 291.391 3.548 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)/C(F)=C(\C)C1CC1 ZINC000901051401 1128335940 /nfs/dbraw/zinc/33/59/40/1128335940.db2.gz COPJZTNDJBXDIV-VBKFSLOCSA-N 0 0 291.366 3.784 20 10 CHCDRN COc1ccc(N(C)Cc2ccc3c(c2)COC3)cc1F ZINC000778218376 1128450192 /nfs/dbraw/zinc/45/01/92/1128450192.db2.gz RSMXAUXZZNOFHG-UHFFFAOYSA-N 0 0 287.334 3.501 20 10 CHCDRN Cc1oc(C(C)(C)C)cc1C(=O)NCc1ccccc1O ZINC000934936314 1128474339 /nfs/dbraw/zinc/47/43/39/1128474339.db2.gz SBBGRJOJKPVXMX-UHFFFAOYSA-N 0 0 287.359 3.521 20 10 CHCDRN CC(C)(C)c1cnc(SCC(=O)C2(Cl)CC2)s1 ZINC000917218049 1128490854 /nfs/dbraw/zinc/49/08/54/1128490854.db2.gz QUOHOWAMPVSFDW-UHFFFAOYSA-N 0 0 289.853 3.873 20 10 CHCDRN CC(C)(C)C[C@H](NC(=O)C1=CC(=O)CS1)C(F)(F)F ZINC000778519901 1128538864 /nfs/dbraw/zinc/53/88/64/1128538864.db2.gz ZKHOZDUXCAPJAO-VIFPVBQESA-N 0 0 295.326 3.551 20 10 CHCDRN CC/C=C(\C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000918565598 1128556908 /nfs/dbraw/zinc/55/69/08/1128556908.db2.gz PYEGFRGERZTTLT-OVCLIPMQSA-N 0 0 288.435 3.846 20 10 CHCDRN CN(C)c1ccc(C[N@H+](Cc2ccco2)C2CC2)cc1 ZINC000920258297 1128674671 /nfs/dbraw/zinc/67/46/71/1128674671.db2.gz MAGJRAYGYPRZMM-UHFFFAOYSA-N 0 0 270.376 3.510 20 10 CHCDRN CN(Cc1cc(F)ccc1O)Cc1ccc(F)cc1Cl ZINC000779014442 1128678605 /nfs/dbraw/zinc/67/86/05/1128678605.db2.gz PHURXWGNYRULMU-UHFFFAOYSA-N 0 0 297.732 3.956 20 10 CHCDRN Oc1ccc(F)cc1CNc1cccc(-c2ncco2)c1 ZINC000779047600 1128705114 /nfs/dbraw/zinc/70/51/14/1128705114.db2.gz PRVGPVJPYQTCPB-UHFFFAOYSA-N 0 0 284.290 3.798 20 10 CHCDRN Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1nccs1 ZINC000048875699 1128733769 /nfs/dbraw/zinc/73/37/69/1128733769.db2.gz FEMLTINUERUJBL-VIFPVBQESA-N 0 0 296.392 3.710 20 10 CHCDRN COc1ccc(N(Cc2ncc(C)o2)C(C)C)cc1F ZINC000072598509 1117776032 /nfs/dbraw/zinc/77/60/32/1117776032.db2.gz ORWZPSHURINNRU-UHFFFAOYSA-N 0 0 278.327 3.546 20 10 CHCDRN CCCCN(CCCC)C(=O)Nc1ccc(N)cc1 ZINC000035408068 1117846590 /nfs/dbraw/zinc/84/65/90/1117846590.db2.gz QGIYSCOGMUTXCF-UHFFFAOYSA-N 0 0 263.385 3.703 20 10 CHCDRN CCO[C@H](CC[NH2+][C@@H](C)c1ccc(F)cc1[O-])C(C)C ZINC000185625448 1117859436 /nfs/dbraw/zinc/85/94/36/1117859436.db2.gz AQTUKKRXSNAEAO-BLLLJJGKSA-N 0 0 283.387 3.633 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1ccc(F)cc1[O-] ZINC000186017580 1117968778 /nfs/dbraw/zinc/96/87/78/1117968778.db2.gz LXMQAZPRFXKISJ-DXCKQFNASA-N 0 0 285.362 3.986 20 10 CHCDRN CC(C)[C@H]1OCCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000186093391 1117990768 /nfs/dbraw/zinc/99/07/68/1117990768.db2.gz VAFKWDHZGKSFHD-GDZNZVCISA-N 0 0 295.398 3.633 20 10 CHCDRN CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000186093449 1117991184 /nfs/dbraw/zinc/99/11/84/1117991184.db2.gz VAFKWDHZGKSFHD-AHIWAGSCSA-N 0 0 295.398 3.633 20 10 CHCDRN C[C@H]1CCC[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000042411894 1118032885 /nfs/dbraw/zinc/03/28/85/1118032885.db2.gz UUEZLWBSMYDVPM-JQWIXIFHSA-N 0 0 298.224 3.823 20 10 CHCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)C1CCCCC1 ZINC000175414915 1118045328 /nfs/dbraw/zinc/04/53/28/1118045328.db2.gz YVEOKMQLFKEDFP-ZDUSSCGKSA-N 0 0 290.407 3.502 20 10 CHCDRN Cc1cc(Cl)cc(CN2CC[C@@H](C)[C@@H](F)C2)c1O ZINC000779149039 1128752354 /nfs/dbraw/zinc/75/23/54/1128752354.db2.gz KCRWFMMGTAKMNI-RNCFNFMXSA-N 0 0 271.763 3.534 20 10 CHCDRN Cc1cc(Cl)cc(CN2CC[C@H](C)[C@H](F)C2)c1O ZINC000779149040 1128752481 /nfs/dbraw/zinc/75/24/81/1128752481.db2.gz KCRWFMMGTAKMNI-TVQRCGJNSA-N 0 0 271.763 3.534 20 10 CHCDRN CC1=CC[C@](C)(C(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890760877 1118077527 /nfs/dbraw/zinc/07/75/27/1118077527.db2.gz CNZPDPAFDSUKAW-INIZCTEOSA-N 0 0 293.794 3.798 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)C(C)(C)C ZINC000764894293 1118125466 /nfs/dbraw/zinc/12/54/66/1118125466.db2.gz BZOMXQAQKFQUJI-AWEZNQCLSA-N 0 0 290.451 3.783 20 10 CHCDRN Cc1cc(Cl)cc(Nc2cccc(O)c2O)c1F ZINC001210026217 1118134049 /nfs/dbraw/zinc/13/40/49/1118134049.db2.gz HNZZSVIPLJKWDC-UHFFFAOYSA-N 0 0 267.687 3.942 20 10 CHCDRN Cc1cccc(CN(CC(C)C)CC(F)(F)F)c1O ZINC000179775261 1128758206 /nfs/dbraw/zinc/75/82/06/1128758206.db2.gz PQQGDTWZUDKJGB-UHFFFAOYSA-N 0 0 275.314 3.721 20 10 CHCDRN CC(C)=C[C@@H]1[C@H](C(=O)NCc2cc(C)ccc2O)C1(C)C ZINC001167290619 1118174447 /nfs/dbraw/zinc/17/44/47/1118174447.db2.gz IHBDTWJNIFAVOP-GDBMZVCRSA-N 0 0 287.403 3.555 20 10 CHCDRN Fc1ccccc1-n1ccc(CSc2nccs2)n1 ZINC000188194526 1128761231 /nfs/dbraw/zinc/76/12/31/1128761231.db2.gz JUKVHTXTVRISPX-UHFFFAOYSA-N 0 0 291.376 3.760 20 10 CHCDRN CNc1ccc(-c2cccc3c2cc(C)n3C)c(F)n1 ZINC001239439829 1118209151 /nfs/dbraw/zinc/20/91/51/1118209151.db2.gz KGRRFWHSCUXIAL-UHFFFAOYSA-N 0 0 269.323 3.730 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(N[C@@H](CO)C(C)(C)C)cc1 ZINC001168558173 1118212653 /nfs/dbraw/zinc/21/26/53/1118212653.db2.gz WKNUXUJSWKWBRG-KRWDZBQOSA-N 0 0 286.419 3.913 20 10 CHCDRN [O-]c1c(Br)cccc1C[NH2+][C@@]12C[C@@H]1CCCC2 ZINC000693148383 1118267444 /nfs/dbraw/zinc/26/74/44/1118267444.db2.gz FWOZWJUZWIAEEB-FZMZJTMJSA-N 0 0 296.208 3.577 20 10 CHCDRN Cc1nc2cc(NCc3cc(C)ccc3O)ccc2o1 ZINC000071406614 1118278648 /nfs/dbraw/zinc/27/86/48/1118278648.db2.gz CLBGYSYRMFKKRV-UHFFFAOYSA-N 0 0 268.316 3.762 20 10 CHCDRN CC[C@@H]1CCC[N@H+](Cc2cc(F)cc(C(C)=O)c2[O-])CC1 ZINC000079352809 1118305709 /nfs/dbraw/zinc/30/57/09/1118305709.db2.gz STRARDFBOFUOEY-CYBMUJFWSA-N 0 0 293.382 3.746 20 10 CHCDRN COc1ccc(C)cc1NCc1cccc(C)c1O ZINC000083421967 1118353691 /nfs/dbraw/zinc/35/36/91/1118353691.db2.gz FXZYJTPVDXJOTN-UHFFFAOYSA-N 0 0 257.333 3.630 20 10 CHCDRN Cc1cc(N(C)C)cc(C)c1NCc1ccccc1O ZINC000186266081 1118405356 /nfs/dbraw/zinc/40/53/56/1118405356.db2.gz TUELVARSURFOHU-UHFFFAOYSA-N 0 0 270.376 3.687 20 10 CHCDRN CCCCCC[C@H](C)C(=O)NCc1cccc(OC)c1O ZINC000175930603 1118420081 /nfs/dbraw/zinc/42/00/81/1118420081.db2.gz VKJWSFRDCVSUDP-ZDUSSCGKSA-N 0 0 293.407 3.624 20 10 CHCDRN COc1ccc(N(c2ccc(N)cc2)c2ccncn2)cc1 ZINC001211028059 1118440926 /nfs/dbraw/zinc/44/09/26/1118440926.db2.gz IYYCFRIKJFOMFI-UHFFFAOYSA-N 0 0 292.342 3.537 20 10 CHCDRN C[C@@H]([NH2+]CCOCC1CCCC1)c1cc(F)cc(F)c1[O-] ZINC000834908237 1118627374 /nfs/dbraw/zinc/62/73/74/1118627374.db2.gz CMDQVNAWLVPIFZ-LLVKDONJSA-N 0 0 299.361 3.528 20 10 CHCDRN C[C@@H]1CCCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000707136584 1118641038 /nfs/dbraw/zinc/64/10/38/1118641038.db2.gz TTXVBQVBFLZLEE-LLVKDONJSA-N 0 0 298.224 3.777 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCC1CC1 ZINC000083893430 1118732567 /nfs/dbraw/zinc/73/25/67/1118732567.db2.gz MMKGGUAGFBRLMP-UHFFFAOYSA-N 0 0 260.164 3.589 20 10 CHCDRN CC(C)c1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180598577 1128799814 /nfs/dbraw/zinc/79/98/14/1128799814.db2.gz XLPTZOIARONHTL-VQHVLOKHSA-N 0 0 297.354 3.873 20 10 CHCDRN CC[C@H](C)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000068846499 1128800912 /nfs/dbraw/zinc/80/09/12/1128800912.db2.gz PDEGYYHAVPPPKW-ZDUSSCGKSA-N 0 0 284.403 3.931 20 10 CHCDRN CC[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000068846510 1128800431 /nfs/dbraw/zinc/80/04/31/1128800431.db2.gz DJZBLARQPAFKBZ-LLVKDONJSA-N 0 0 288.366 3.762 20 10 CHCDRN CC[C@@H]1CN(Cc2ccc(N(C)C)cc2)c2ccccc2O1 ZINC001167512012 1118976442 /nfs/dbraw/zinc/97/64/42/1118976442.db2.gz HCDHJYKSCBXXPJ-QGZVFWFLSA-N 0 0 296.414 3.930 20 10 CHCDRN CCN(C(=O)/C=C\c1scnc1C)c1ccccc1C ZINC000588517898 1119081782 /nfs/dbraw/zinc/08/17/82/1119081782.db2.gz KIOLBAQTYYPZDY-KTKRTIGZSA-N 0 0 286.400 3.826 20 10 CHCDRN CCc1nc([C@@H](C)NCc2ccc(N(C)C)cc2)cs1 ZINC000111406757 1119082193 /nfs/dbraw/zinc/08/21/93/1119082193.db2.gz BXFIQCHDUFSFKQ-GFCCVEGCSA-N 0 0 289.448 3.622 20 10 CHCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(F)cc2OC)c1 ZINC000049563909 1119105071 /nfs/dbraw/zinc/10/50/71/1119105071.db2.gz LNOMQINJIIHCJD-SNVBAGLBSA-N 0 0 291.322 3.722 20 10 CHCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001140583604 1119154271 /nfs/dbraw/zinc/15/42/71/1119154271.db2.gz NHZXPOXZMKXHQN-ABAIWWIYSA-N 0 0 281.346 3.825 20 10 CHCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001140583606 1119154790 /nfs/dbraw/zinc/15/47/90/1119154790.db2.gz NHZXPOXZMKXHQN-NHYWBVRUSA-N 0 0 281.346 3.825 20 10 CHCDRN C[C@H]([NH2+]CCCC(F)(F)F)c1ccc(F)cc1[O-] ZINC000148599754 1119336710 /nfs/dbraw/zinc/33/67/10/1119336710.db2.gz IMJHWOIUCYLKAV-QMMMGPOBSA-N 0 0 265.250 3.524 20 10 CHCDRN CCC1(C[NH2+]Cc2cccc(Cl)c2[O-])CCC1 ZINC000224901611 1119349352 /nfs/dbraw/zinc/34/93/52/1119349352.db2.gz MCSJXIQFJJKTAM-UHFFFAOYSA-N 0 0 253.773 3.716 20 10 CHCDRN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c1O ZINC000169084272 1119492717 /nfs/dbraw/zinc/49/27/17/1119492717.db2.gz KUUJYUUAPIHUAC-MNOVXSKESA-N 0 0 283.799 3.532 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)C/C=C\c1cccc(F)c1 ZINC000255622273 1119653333 /nfs/dbraw/zinc/65/33/33/1119653333.db2.gz HDQZHFUHJMWZAK-ALCCZGGFSA-N 0 0 299.345 3.593 20 10 CHCDRN CCSCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000310060067 1119727198 /nfs/dbraw/zinc/72/71/98/1119727198.db2.gz CEJHBFUPEPIHRZ-UHFFFAOYSA-N 0 0 294.247 3.932 20 10 CHCDRN C[C@@H]1SCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000310388495 1119746628 /nfs/dbraw/zinc/74/66/28/1119746628.db2.gz FNGTXMFVZYFZDD-CPCISQLKSA-N 0 0 292.231 3.683 20 10 CHCDRN CC[C@H]([NH2+]C1CCCCC1)c1ccc(F)cc1[O-] ZINC000796665462 1119839869 /nfs/dbraw/zinc/83/98/69/1119839869.db2.gz IYWGUASPDCGUBE-AWEZNQCLSA-N 0 0 251.345 3.905 20 10 CHCDRN Cc1ccc(C)c(N(C)C(=O)/C=C\c2cncc(F)c2)c1 ZINC000255896383 1119954983 /nfs/dbraw/zinc/95/49/83/1119954983.db2.gz NUECRXCZCFGXJR-SREVYHEPSA-N 0 0 284.334 3.514 20 10 CHCDRN CC(C)CCn1ccc(N[C@H](C)c2cc(F)ccc2O)n1 ZINC000186351883 1120031284 /nfs/dbraw/zinc/03/12/84/1120031284.db2.gz ZAZWRIBTWOEOSR-GFCCVEGCSA-N 0 0 291.370 3.947 20 10 CHCDRN Cc1ccc(O)c(CNc2ccc(OC(C)C)c(C#N)c2)c1 ZINC000181529532 1128885751 /nfs/dbraw/zinc/88/57/51/1128885751.db2.gz SNPUZIRIRDJJKJ-UHFFFAOYSA-N 0 0 296.370 3.972 20 10 CHCDRN Nc1ccc(N(Cc2ccccc2)c2cccnc2N)cc1 ZINC001212404316 1120065584 /nfs/dbraw/zinc/06/55/84/1120065584.db2.gz XQAVTZYSWISUHG-UHFFFAOYSA-N 0 0 290.370 3.584 20 10 CHCDRN CN(C)c1ccc(CNc2ccc(OC(F)F)cc2)cc1 ZINC000020095997 1120195464 /nfs/dbraw/zinc/19/54/64/1120195464.db2.gz MHWCYMDBJWLTTG-UHFFFAOYSA-N 0 0 292.329 3.966 20 10 CHCDRN CN(Cc1cc(Cl)ccc1F)C(=O)C1=CC(=O)CS1 ZINC000765926582 1120212233 /nfs/dbraw/zinc/21/22/33/1120212233.db2.gz NWPYTYTUSOBOHU-UHFFFAOYSA-N 0 0 299.754 3.518 20 10 CHCDRN C[C@@H]1CCCC[C@@H]1Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843159259 1120274554 /nfs/dbraw/zinc/27/45/54/1120274554.db2.gz NUZOGNSLLITSKF-TZMCWYRMSA-N 0 0 285.391 3.611 20 10 CHCDRN C[C@@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)c1ccc(N(C)C)cc1 ZINC001128246874 1120311938 /nfs/dbraw/zinc/31/19/38/1120311938.db2.gz LBCLNXXIXDQETG-DAXOMENPSA-N 0 0 288.435 3.612 20 10 CHCDRN CC/C=C/CCN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000184575628 1120357609 /nfs/dbraw/zinc/35/76/09/1120357609.db2.gz RVPBNGCBEXGQAH-BQYQJAHWSA-N 0 0 279.380 3.505 20 10 CHCDRN Cc1ccccc1OCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756481667 1120369985 /nfs/dbraw/zinc/36/99/85/1120369985.db2.gz DTNHPXSJCBQQTN-ZDUSSCGKSA-N 0 0 289.350 3.569 20 10 CHCDRN Cc1csc2c1ncnc2Sc1nccs1 ZINC000189975825 1120492179 /nfs/dbraw/zinc/49/21/79/1120492179.db2.gz JBJYXMICFJWTFK-UHFFFAOYSA-N 0 0 265.388 3.607 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[NH+]2C[C@@H](C)[C@H](C)C2)c1 ZINC000781908465 1120511418 /nfs/dbraw/zinc/51/14/18/1120511418.db2.gz IYQLNNBFTQMWHQ-GHMZBOCLSA-N 0 0 298.224 3.551 20 10 CHCDRN CC[C@@H](Nc1ccc(OC)c(OC)c1)c1ccccc1O ZINC000019908786 1120544859 /nfs/dbraw/zinc/54/48/59/1120544859.db2.gz PVGJKDATSGQHJO-CQSZACIVSA-N 0 0 287.359 3.973 20 10 CHCDRN CCOc1ccc(N[C@H](C)c2ccccc2O)cc1 ZINC000019902250 1120546885 /nfs/dbraw/zinc/54/68/85/1120546885.db2.gz QABWQRJWUXXQTP-GFCCVEGCSA-N 0 0 257.333 3.964 20 10 CHCDRN CC[C@H](Nc1cccc(OC)c1)c1ccccc1O ZINC000019964138 1120554922 /nfs/dbraw/zinc/55/49/22/1120554922.db2.gz JPIZKESZRURYCC-HNNXBMFYSA-N 0 0 257.333 3.964 20 10 CHCDRN C[C@@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCS1 ZINC000922836364 1120607745 /nfs/dbraw/zinc/60/77/45/1120607745.db2.gz JFPBDWLJZQFEIA-BDAKNGLRSA-N 0 0 289.803 3.558 20 10 CHCDRN CCN(Cc1nc(C)c(C)s1)c1ccc(OC)cc1 ZINC000763508912 1128941776 /nfs/dbraw/zinc/94/17/76/1128941776.db2.gz YGCOQEXFCQFXIO-UHFFFAOYSA-N 0 0 276.405 3.795 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccc(F)cc1[O-] ZINC000796798992 1120818048 /nfs/dbraw/zinc/81/80/48/1120818048.db2.gz OVJCQKMDURIZIS-MLGOLLRUSA-N 0 0 288.366 3.771 20 10 CHCDRN Cc1cc(C)n(-c2ccc(CNc3ccc(O)cc3)cc2)n1 ZINC001167794516 1120911873 /nfs/dbraw/zinc/91/18/73/1120911873.db2.gz IWQIBPDMDFOMLF-UHFFFAOYSA-N 0 0 293.370 3.807 20 10 CHCDRN CCc1nn(C)cc1N[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000756873111 1120954775 /nfs/dbraw/zinc/95/47/75/1120954775.db2.gz HCOPACGTXOOSMC-LBPRGKRZSA-N 0 0 299.418 3.740 20 10 CHCDRN Cc1ccc(N(C)C(=O)/C=C/c2ccc(C)nc2)c(C)c1 ZINC000779471727 1128955113 /nfs/dbraw/zinc/95/51/13/1128955113.db2.gz LXDWSTFVGCCLSO-CSKARUKUSA-N 0 0 280.371 3.683 20 10 CHCDRN CCOc1ccc(N(CC)Cc2nc(C)cs2)cc1 ZINC000763518251 1128960364 /nfs/dbraw/zinc/96/03/64/1128960364.db2.gz XCQDZRGKCZKDCZ-UHFFFAOYSA-N 0 0 276.405 3.877 20 10 CHCDRN CC(C)(C)[C@H](NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC001626099058 1121127437 /nfs/dbraw/zinc/12/74/37/1121127437.db2.gz DLEMFNZJCYCFHH-MRXNPFEDSA-N 0 0 299.370 3.615 20 10 CHCDRN CC(C)CC1([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000701425064 1121150374 /nfs/dbraw/zinc/15/03/74/1121150374.db2.gz RTZFHUJVYAEQBA-UHFFFAOYSA-N 0 0 253.773 3.714 20 10 CHCDRN CS[C@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000702005809 1121177709 /nfs/dbraw/zinc/17/77/09/1121177709.db2.gz SLMRCBLBEJNAGO-QWRGUYRKSA-N 0 0 292.231 3.683 20 10 CHCDRN C[C@H]1C[N@H+](Cc2c([O-])cccc2F)Cc2ccccc21 ZINC001137831936 1121180401 /nfs/dbraw/zinc/18/04/01/1121180401.db2.gz TXOFFGPJYUIGKA-LBPRGKRZSA-N 0 0 271.335 3.651 20 10 CHCDRN C/C(=C/c1cccnc1)C(=O)N1CCc2cc(C)c(C)cc21 ZINC001128883558 1121199129 /nfs/dbraw/zinc/19/91/29/1121199129.db2.gz RZQWZXNFCOYHNS-DHDCSXOGSA-N 0 0 292.382 3.691 20 10 CHCDRN C[C@@H]([NH2+]Cc1cc(F)ccc1F)c1cc(F)ccc1O ZINC000094618218 1121215881 /nfs/dbraw/zinc/21/58/81/1121215881.db2.gz NZGKVLWFIFNGGD-SECBINFHSA-N 0 0 281.277 3.660 20 10 CHCDRN Oc1cccc(Nc2cc(Cl)ccc2F)c1O ZINC001175300366 1121262193 /nfs/dbraw/zinc/26/21/93/1121262193.db2.gz SRHAOCZTIUTFDQ-UHFFFAOYSA-N 0 0 253.660 3.634 20 10 CHCDRN 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C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1cc(F)cc(F)c1[O-] ZINC000850556977 1123290765 /nfs/dbraw/zinc/29/07/65/1123290765.db2.gz SQZCQNRKRMJNDC-CLAHSXSESA-N 0 0 255.308 3.510 20 10 CHCDRN C[C@H]([NH2+]C1CC(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000850575660 1123295895 /nfs/dbraw/zinc/29/58/95/1123295895.db2.gz BUBOLBYJMGRFQA-QMMMGPOBSA-N 0 0 255.308 3.510 20 10 CHCDRN Cc1cc(-c2nc(C(C)(C)C)no2)c(C)n1-c1ccccn1 ZINC000109524223 1123302087 /nfs/dbraw/zinc/30/20/87/1123302087.db2.gz BWWHJLCGLSBANP-UHFFFAOYSA-N 0 0 296.374 3.837 20 10 CHCDRN CC1(CNC(=O)C2=CC(=O)CS2)CCCCCC1 ZINC000776493464 1123303346 /nfs/dbraw/zinc/30/33/46/1123303346.db2.gz FSPAAAIXAZHKJN-UHFFFAOYSA-N 0 0 267.394 3.544 20 10 CHCDRN Cc1ccc(NCc2ccc(N3CCC(C)CC3)cc2)nn1 ZINC000853300634 1123432448 /nfs/dbraw/zinc/43/24/48/1123432448.db2.gz XDDXFZOEDHZDOA-UHFFFAOYSA-N 0 0 296.418 3.633 20 10 CHCDRN CC1(C)C[C@@]1(NC(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000853320867 1123433748 /nfs/dbraw/zinc/43/37/48/1123433748.db2.gz HDTMGKHDCXMBGM-GOSISDBHSA-N 0 0 295.386 3.716 20 10 CHCDRN CC(C)(C)c1cnc(Sc2cc(F)ncn2)s1 ZINC000853447076 1123441139 /nfs/dbraw/zinc/44/11/39/1123441139.db2.gz PZWOHVQIWUOGJK-UHFFFAOYSA-N 0 0 269.370 3.521 20 10 CHCDRN Cc1cc(Cl)cc(C[N@@H+]2CCC23CCCC3)c1O ZINC001237681081 1129123354 /nfs/dbraw/zinc/12/33/54/1129123354.db2.gz KYJBBYBHTWPOOM-UHFFFAOYSA-N 0 0 265.784 3.873 20 10 CHCDRN CC[C@H](C)N(CC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000854002465 1123465220 /nfs/dbraw/zinc/46/52/20/1123465220.db2.gz AHLBAFDYLSQSQY-UONOGXRCSA-N 0 0 291.439 3.644 20 10 CHCDRN CC1=CC[C@@](C)(c2nc(Cc3ccc(N)cc3)no2)CC1 ZINC000854133775 1123470123 /nfs/dbraw/zinc/47/01/23/1123470123.db2.gz JTFZHRYEVYLVGK-QGZVFWFLSA-N 0 0 283.375 3.631 20 10 CHCDRN CCN(C(=O)/C=C/c1cnc(C)s1)c1cccc(F)c1 ZINC000112234002 1123485075 /nfs/dbraw/zinc/48/50/75/1123485075.db2.gz YHBXBPQMERJMAP-BQYQJAHWSA-N 0 0 290.363 3.657 20 10 CHCDRN Cc1ncc(/C=C/C(=O)N(C)c2ccc(C)cc2C)s1 ZINC000112238027 1123485152 /nfs/dbraw/zinc/48/51/52/1123485152.db2.gz 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JLXOCIDICSMESY-ZDUSSCGKSA-N 0 0 299.418 3.750 20 10 CHCDRN Cn1cnc2cc(NCc3cc(F)cc(Cl)c3)ccc21 ZINC000776800442 1123511268 /nfs/dbraw/zinc/51/12/68/1123511268.db2.gz MYFAMKDOYJBGPW-UHFFFAOYSA-N 0 0 289.741 3.978 20 10 CHCDRN C[C@@H]1N(C(=O)C2=CC(=O)CS2)c2ccccc2C1(C)C ZINC000855905922 1123540125 /nfs/dbraw/zinc/54/01/25/1123540125.db2.gz IOKJQAGMGNLHDN-JTQLQIEISA-N 0 0 287.384 3.780 20 10 CHCDRN CCC(CC)CCCN(C)C(=O)C1=CC(=O)CS1 ZINC000856169888 1123549034 /nfs/dbraw/zinc/54/90/34/1123549034.db2.gz VLVBRQPTMWFSQS-UHFFFAOYSA-N 0 0 269.410 3.742 20 10 CHCDRN CCCn1c2ccccc2nc1-c1cc(O)c(O)c(OC)c1 ZINC000194104362 1129130243 /nfs/dbraw/zinc/13/02/43/1129130243.db2.gz AYGWEHYUQIGTNE-UHFFFAOYSA-N 0 0 298.342 3.533 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857066241 1123583749 /nfs/dbraw/zinc/58/37/49/1123583749.db2.gz ZOIGXMNPGZLOKC-VIFPVBQESA-N 0 0 294.609 3.719 20 10 CHCDRN COc1ccc(O)c(CNc2ccc(C(C)C)nc2)c1 ZINC000896611508 1123603772 /nfs/dbraw/zinc/60/37/72/1123603772.db2.gz 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/nfs/dbraw/zinc/72/86/05/1123728605.db2.gz SJEOAYYTUSVBKT-WDEREUQCSA-N 0 0 285.840 3.809 20 10 CHCDRN CCOc1ccc(N(C)Cc2cnc(C3CC3)o2)cc1 ZINC000862307471 1123799018 /nfs/dbraw/zinc/79/90/18/1123799018.db2.gz XYQFQXPEYNQZBY-UHFFFAOYSA-N 0 0 272.348 3.587 20 10 CHCDRN COc1cc(C)cc(CNc2ccc3c(c2)C[C@@H](C)O3)c1O ZINC000897109725 1123820366 /nfs/dbraw/zinc/82/03/66/1123820366.db2.gz NUUWJOVJZPYJFE-GFCCVEGCSA-N 0 0 299.370 3.645 20 10 CHCDRN CCNC(=O)c1ccc(C)c(N[C@@H](C)c2ccccc2O)c1 ZINC000192827507 1123823335 /nfs/dbraw/zinc/82/33/35/1123823335.db2.gz AUDGCPZLBXPWLI-ZDUSSCGKSA-N 0 0 298.386 3.623 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)CCCC2CCCC2)c1 ZINC000862760123 1123827273 /nfs/dbraw/zinc/82/72/73/1123827273.db2.gz MUCCDMMSAHZBBB-UHFFFAOYSA-N 0 0 275.392 3.677 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)c2cccc(C3CC3)c2)c1 ZINC000862753038 1123827433 /nfs/dbraw/zinc/82/74/33/1123827433.db2.gz ARAJZBOZCSIVPI-UHFFFAOYSA-N 0 0 281.355 3.508 20 10 CHCDRN CSCCCCCCC(=O)NCc1cc(C)ccc1O ZINC000862754154 1123827504 /nfs/dbraw/zinc/82/75/04/1123827504.db2.gz SINNSVBKQPKAGR-UHFFFAOYSA-N 0 0 295.448 3.630 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)c2cc(C)ccc2C2CC2)c1 ZINC000862754723 1123827637 /nfs/dbraw/zinc/82/76/37/1123827637.db2.gz IJUYBYZOGCVPOM-UHFFFAOYSA-N 0 0 295.382 3.816 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)C(C2CCC2)C2CCC2)c1 ZINC000862755989 1123827852 /nfs/dbraw/zinc/82/78/52/1123827852.db2.gz OSAJBOLHLVIJRH-UHFFFAOYSA-N 0 0 287.403 3.533 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)CCC(C)(C)C)c1 ZINC000862757479 1123827968 /nfs/dbraw/zinc/82/79/68/1123827968.db2.gz VWOZNDPBDSBBNS-ZDUSSCGKSA-N 0 0 277.408 3.779 20 10 CHCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1ccccn1 ZINC000301062307 1123871120 /nfs/dbraw/zinc/87/11/20/1123871120.db2.gz HAYGENDGQWIUTG-UHFFFAOYSA-N 0 0 281.403 3.708 20 10 CHCDRN CN(C)c1cc(F)cc(NCc2cc(Cl)ccc2O)c1 ZINC000864016639 1123909975 /nfs/dbraw/zinc/90/99/75/1123909975.db2.gz GQNQYRZTLMDPBN-UHFFFAOYSA-N 0 0 294.757 3.863 20 10 CHCDRN CN(C)c1cc(F)cc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000864024669 1123910928 /nfs/dbraw/zinc/91/09/28/1123910928.db2.gz FAOGKIQTJRMZJG-HNNXBMFYSA-N 0 0 286.350 3.697 20 10 CHCDRN Cc1ccc(Sc2nccs2)c([N+](=O)[O-])c1 ZINC000301811497 1123934779 /nfs/dbraw/zinc/93/47/79/1123934779.db2.gz HBIPUMWNBBOULE-UHFFFAOYSA-N 0 0 252.320 3.511 20 10 CHCDRN c1csc(SCCCNc2nc3ccccc3[nH]2)n1 ZINC000301893222 1123942032 /nfs/dbraw/zinc/94/20/32/1123942032.db2.gz SIAIGSBGLMUXCX-UHFFFAOYSA-N 0 0 290.417 3.614 20 10 CHCDRN CC[C@@H]([NH2+][C@H](CO)c1ccccc1C)c1ccc(C)cc1O ZINC000794804859 1123952401 /nfs/dbraw/zinc/95/24/01/1123952401.db2.gz VQWKHWUMGGCMMT-QZTJIDSGSA-N 0 0 299.414 3.783 20 10 CHCDRN COC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCC(C)CC1 ZINC000794831409 1123962443 /nfs/dbraw/zinc/96/24/43/1123962443.db2.gz DFVLMWOAMFLCTC-JZLYGMAVSA-N 0 0 295.398 3.777 20 10 CHCDRN Cc1ccc(O)c(CNc2ccc3ncsc3c2)c1 ZINC000120695845 1124006442 /nfs/dbraw/zinc/00/64/42/1124006442.db2.gz RJZOFYVBXYGKCF-UHFFFAOYSA-N 0 0 270.357 3.922 20 10 CHCDRN CCN(Cc1ccc(N2CCCCC2)cc1)CC(F)F ZINC000184092915 1129160310 /nfs/dbraw/zinc/16/03/10/1129160310.db2.gz QYCSFVRZMCRBJU-UHFFFAOYSA-N 0 0 282.378 3.764 20 10 CHCDRN CCC[C@@H](CCO)[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000866415302 1124064792 /nfs/dbraw/zinc/06/47/92/1124064792.db2.gz RQOVILYWPMJOTB-SMDDNHRTSA-N 0 0 285.815 3.637 20 10 CHCDRN Cc1conc1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000794944272 1124093997 /nfs/dbraw/zinc/09/39/97/1124093997.db2.gz DMEJYEHYMAKJCE-UHFFFAOYSA-N 0 0 299.296 3.680 20 10 CHCDRN Cc1cc(OC(C)C)ncc1-c1cnc2ccn(C)c2c1 ZINC001238825853 1131250906 /nfs/dbraw/zinc/25/09/06/1131250906.db2.gz LDZZWPFHKAMTQZ-UHFFFAOYSA-N 0 0 281.359 3.731 20 10 CHCDRN Cc1cccc2nc(N(C)Cc3ccccc3O)sc21 ZINC000795119488 1124561800 /nfs/dbraw/zinc/56/18/00/1124561800.db2.gz MFVUYDWVJVZQKN-UHFFFAOYSA-N 0 0 284.384 3.947 20 10 CHCDRN CC(C)(CC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871200741 1124602620 /nfs/dbraw/zinc/60/26/20/1124602620.db2.gz HYRLJCDINQFTNH-UHFFFAOYSA-N 0 0 295.382 3.602 20 10 CHCDRN CCCCC[C@H](CC)C(=O)N1Cc2cccc(O)c2C1 ZINC000871203851 1124602739 /nfs/dbraw/zinc/60/27/39/1124602739.db2.gz TYJCJWYUECZWSY-ZDUSSCGKSA-N 0 0 275.392 3.841 20 10 CHCDRN CC(C)Nc1ccccc1NCc1cc(Cl)n(C)n1 ZINC000871846582 1124645066 /nfs/dbraw/zinc/64/50/66/1124645066.db2.gz SGTGMIUSRPJINM-UHFFFAOYSA-N 0 0 278.787 3.506 20 10 CHCDRN CC(C)Nc1ccccc1NCc1nnc(C2CC2)s1 ZINC000871846067 1124645125 /nfs/dbraw/zinc/64/51/25/1124645125.db2.gz JTUUXXAQNLWPEO-UHFFFAOYSA-N 0 0 288.420 3.848 20 10 CHCDRN CC[C@@H]([NH2+]CCC(C)(C)COC)c1ccc(F)cc1[O-] ZINC000872104607 1124683238 /nfs/dbraw/zinc/68/32/38/1124683238.db2.gz KZLRUZWZEBEAIL-CQSZACIVSA-N 0 0 283.387 3.635 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccc(F)cc1[O-] ZINC000872108387 1124685262 /nfs/dbraw/zinc/68/52/62/1124685262.db2.gz SPRWTHYPTUZOPN-VXAPYIKBSA-N 0 0 293.382 3.530 20 10 CHCDRN CC[C@H](Nc1cnn(CC)c1C)c1ccc(C)cc1O ZINC000872140196 1124695982 /nfs/dbraw/zinc/69/59/82/1124695982.db2.gz ZFKLPUDGHWOXFO-AWEZNQCLSA-N 0 0 273.380 3.789 20 10 CHCDRN COc1cc(N[C@H](C)c2ccccc2O)cc(OC)c1 ZINC000019909527 1124768722 /nfs/dbraw/zinc/76/87/22/1124768722.db2.gz NOVCQYLGPPCRHR-LLVKDONJSA-N 0 0 273.332 3.583 20 10 CHCDRN C[C@@H]([N@H+](C)Cc1cccc(Cl)c1[O-])C(C)(C)C ZINC000124540880 1124772623 /nfs/dbraw/zinc/77/26/23/1124772623.db2.gz JMMZIWMJEDZTCS-SNVBAGLBSA-N 0 0 255.789 3.912 20 10 CHCDRN CN(C(=O)C1=CC(=O)CS1)[C@H]1CCCc2ccccc21 ZINC000820709615 1131299333 /nfs/dbraw/zinc/29/93/33/1131299333.db2.gz IWKSZULEASXQED-AWEZNQCLSA-N 0 0 287.384 3.603 20 10 CHCDRN CC(C)c1ccc(NC(=O)NCc2ccc(N)cc2)cc1 ZINC001239220443 1131307090 /nfs/dbraw/zinc/30/70/90/1131307090.db2.gz LRMXRPDEEVGCNF-UHFFFAOYSA-N 0 0 283.375 3.714 20 10 CHCDRN C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124667378 1124803959 /nfs/dbraw/zinc/80/39/59/1124803959.db2.gz ABNSZYSHHMPSIN-GXFFZTMASA-N 0 0 253.773 3.714 20 10 CHCDRN CC(=O)Nc1ccc(N[C@@H](C)c2ccc(C)cc2O)cc1 ZINC000020086533 1124805097 /nfs/dbraw/zinc/80/50/97/1124805097.db2.gz HGCXAMKJLWBGIP-LBPRGKRZSA-N 0 0 284.359 3.832 20 10 CHCDRN COc1cccc(CNc2ccccc2OC(F)F)c1O ZINC000020096320 1124805171 /nfs/dbraw/zinc/80/51/71/1124805171.db2.gz PJPBTAAIDIAOKK-UHFFFAOYSA-N 0 0 295.285 3.614 20 10 CHCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1cccc(O)c1 ZINC000124807756 1124818031 /nfs/dbraw/zinc/81/80/31/1124818031.db2.gz SXDSFTCIUGKKOK-JTQLQIEISA-N 0 0 277.751 3.602 20 10 CHCDRN CCC[C@H](NC(=O)N1Cc2cccc(O)c2C1)C(C)(C)C ZINC000875636146 1124897790 /nfs/dbraw/zinc/89/77/90/1124897790.db2.gz POCJZIPQNGNAMO-HNNXBMFYSA-N 0 0 290.407 3.632 20 10 CHCDRN CCCCN(C(=O)/C=C\c1ccc(C)nc1)c1cccnc1 ZINC000875882830 1124909081 /nfs/dbraw/zinc/90/90/81/1124909081.db2.gz GZWGFLUYCGZYAN-KTKRTIGZSA-N 0 0 295.386 3.632 20 10 CHCDRN Cc1cccc(O)c1CNc1ccccc1OCC(F)F ZINC000876830416 1124983683 /nfs/dbraw/zinc/98/36/83/1124983683.db2.gz JAUYJJSJKBKREB-UHFFFAOYSA-N 0 0 293.313 3.957 20 10 CHCDRN Cc1cccc(O)c1CNc1cccc(OCCF)c1 ZINC000876868526 1124984864 /nfs/dbraw/zinc/98/48/64/1124984864.db2.gz FTSXBHHGGLNPOO-UHFFFAOYSA-N 0 0 275.323 3.661 20 10 CHCDRN [O-]c1c(C[NH2+][C@@H]2CCc3ccc(F)cc32)ccc(F)c1F ZINC000877015573 1124998755 /nfs/dbraw/zinc/99/87/55/1124998755.db2.gz VCHWXJGTIAGOJA-CQSZACIVSA-N 0 0 293.288 3.587 20 10 CHCDRN CN(C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1)c1ccc(N)cc1 ZINC000877074323 1125004942 /nfs/dbraw/zinc/00/49/42/1125004942.db2.gz HAASCAZYFLSTEN-DLBZAZTESA-N 0 0 298.361 3.565 20 10 CHCDRN CN(C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1)c1ccc(N)cc1 ZINC000877074326 1125005329 /nfs/dbraw/zinc/00/53/29/1125005329.db2.gz HAASCAZYFLSTEN-SJORKVTESA-N 0 0 298.361 3.565 20 10 CHCDRN CSCCCCCCC(=O)N(C)c1ccc(N)cc1 ZINC000877074536 1125005841 /nfs/dbraw/zinc/00/58/41/1125005841.db2.gz NSKNMOJLJJGKRB-UHFFFAOYSA-N 0 0 280.437 3.545 20 10 CHCDRN CC[C@@H](O)CN(Cc1cccs1)c1ccc(OC)cc1 ZINC000126448470 1125022748 /nfs/dbraw/zinc/02/27/48/1125022748.db2.gz HOQUWEAZTIVCJI-CQSZACIVSA-N 0 0 291.416 3.534 20 10 CHCDRN CC(C)Cc1ncc(CN2Cc3cccc(O)c3C2)s1 ZINC000877702545 1125066944 /nfs/dbraw/zinc/06/69/44/1125066944.db2.gz ASIDHJVINGJOMT-UHFFFAOYSA-N 0 0 288.416 3.563 20 10 CHCDRN Oc1c(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)ccc2ccccc21 ZINC000877736839 1125070209 /nfs/dbraw/zinc/07/02/09/1125070209.db2.gz DMMCXCNUEVCIHF-HZPDHXFCSA-N 0 0 299.439 3.730 20 10 CHCDRN Cc1cccc(O)c1CNc1ccc(N(C)C)c(F)c1 ZINC000877772861 1125081384 /nfs/dbraw/zinc/08/13/84/1125081384.db2.gz AKOWFIWIUAGZNP-UHFFFAOYSA-N 0 0 274.339 3.518 20 10 CHCDRN C[C@@H](NC(=O)Nc1cccc(C2CC2)n1)c1ccccc1O ZINC000879662568 1125224166 /nfs/dbraw/zinc/22/41/66/1125224166.db2.gz DAUMRHYTLIXYDG-LLVKDONJSA-N 0 0 297.358 3.547 20 10 CHCDRN COc1cc(Cl)cc(CN2CCc3ccccc32)c1O ZINC000228668601 1125251075 /nfs/dbraw/zinc/25/10/75/1125251075.db2.gz DGUBROYWXIZJHZ-UHFFFAOYSA-N 0 0 289.762 3.617 20 10 CHCDRN CC(C)c1nccc(NCc2cccc(Cl)c2O)n1 ZINC000897391911 1125289003 /nfs/dbraw/zinc/28/90/03/1125289003.db2.gz FCZXIVXYOYVHJN-UHFFFAOYSA-N 0 0 277.755 3.571 20 10 CHCDRN CCOc1cccc(C[N@@H+]2CCC[C@@H](CC)CC2)c1O ZINC000211463215 1125306441 /nfs/dbraw/zinc/30/64/41/1125306441.db2.gz UQIJAZZCNZPCSH-CQSZACIVSA-N 0 0 277.408 3.803 20 10 CHCDRN CC(C)(C)c1cnc(SCO[C@H]2CCCOC2)s1 ZINC000882138817 1125337349 /nfs/dbraw/zinc/33/73/49/1125337349.db2.gz MTKYWZUDTARNGG-JTQLQIEISA-N 0 0 287.450 3.686 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000882878923 1125359604 /nfs/dbraw/zinc/35/96/04/1125359604.db2.gz YUEUCAJJBGWMSJ-MRXNPFEDSA-N 0 0 289.325 3.838 20 10 CHCDRN Cc1cccc2c1CC[C@@H]2[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882987144 1125365642 /nfs/dbraw/zinc/36/56/42/1125365642.db2.gz UJQAUCYEZJQBCN-INIZCTEOSA-N 0 0 289.325 3.756 20 10 CHCDRN CC1([NH2+]Cc2cc(F)cc(F)c2[O-])CCC(F)(F)CC1 ZINC000883086235 1125371488 /nfs/dbraw/zinc/37/14/88/1125371488.db2.gz PPSYESPFRHZYIM-UHFFFAOYSA-N 0 0 291.288 3.728 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000883112042 1125372032 /nfs/dbraw/zinc/37/20/32/1125372032.db2.gz XKXQVDXFZQULAC-SECBINFHSA-N 0 0 291.288 3.586 20 10 CHCDRN Oc1ccccc1CNc1cccc2ccncc21 ZINC000131093914 1125373431 /nfs/dbraw/zinc/37/34/31/1125373431.db2.gz XXQDKBWNNCMHFD-UHFFFAOYSA-N 0 0 250.301 3.553 20 10 CHCDRN C[C@@H]([NH2+]CC(C)(C)CC(F)F)c1ccc(F)cc1[O-] ZINC000883259372 1125387244 /nfs/dbraw/zinc/38/72/44/1125387244.db2.gz KRTHVHFIGGNNMS-SECBINFHSA-N 0 0 275.314 3.863 20 10 CHCDRN Cc1ccc(O)c(CNc2cccc3ccncc32)c1 ZINC000131472639 1125392705 /nfs/dbraw/zinc/39/27/05/1125392705.db2.gz CAOHJLPIAUUNJT-UHFFFAOYSA-N 0 0 264.328 3.861 20 10 CHCDRN CCOc1cccc(C[N@H+](CC)C2CCCCC2)c1O ZINC000131773603 1125409577 /nfs/dbraw/zinc/40/95/77/1125409577.db2.gz QZHSSGGZWALFEH-UHFFFAOYSA-N 0 0 277.408 3.946 20 10 CHCDRN CN(C[C@H]1CC[C@H](c2ccccc2)O1)c1ccc(N)cc1 ZINC000883438126 1125410699 /nfs/dbraw/zinc/41/06/99/1125410699.db2.gz LHPLEVUCVYILQU-QZTJIDSGSA-N 0 0 282.387 3.625 20 10 CHCDRN Cc1cc(N(C)C)ccc1N[C@@H]1CCc2cccc(O)c21 ZINC000297014889 1129224055 /nfs/dbraw/zinc/22/40/55/1129224055.db2.gz UCALGSQBFHKNCH-MRXNPFEDSA-N 0 0 282.387 3.866 20 10 CHCDRN Oc1ccccc1CNc1ccc(OC(F)F)c(F)c1 ZINC000037776560 1129268781 /nfs/dbraw/zinc/26/87/81/1129268781.db2.gz KBSNSTYOIXFXDR-UHFFFAOYSA-N 0 0 283.249 3.745 20 10 CHCDRN CCCC[C@@H](CC)CC(=O)NCc1ccccc1O ZINC000735332385 1129339506 /nfs/dbraw/zinc/33/95/06/1129339506.db2.gz YMQADKQAYRMNAX-CYBMUJFWSA-N 0 0 263.381 3.615 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(-c2ccc(O)cc2)cn1 ZINC001241063064 1129420108 /nfs/dbraw/zinc/42/01/08/1129420108.db2.gz SFWVCQIBWDGCTB-UHFFFAOYSA-N 0 0 264.328 3.862 20 10 CHCDRN COc1cc(N(C)CCC2CCCC2)cc(OC)c1OC ZINC000741795927 1129453841 /nfs/dbraw/zinc/45/38/41/1129453841.db2.gz UCUHTRDPIGGCED-UHFFFAOYSA-N 0 0 293.407 3.729 20 10 CHCDRN COc1ccc(N(C)C[C@H]2CCC(F)(F)C2)cc1F ZINC000828041879 1131375967 /nfs/dbraw/zinc/37/59/67/1131375967.db2.gz XVMOIZGNWHAOCW-JTQLQIEISA-N 0 0 273.298 3.706 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCC2CC2)cc1 ZINC000742775985 1129500569 /nfs/dbraw/zinc/50/05/69/1129500569.db2.gz JPIJAUFKQRZJBN-UHFFFAOYSA-N 0 0 282.387 3.624 20 10 CHCDRN Cc1cc(C)cc(/C=C2/SC(=S)N(C3CC3)C2=O)c1 ZINC000742834179 1129502042 /nfs/dbraw/zinc/50/20/42/1129502042.db2.gz MPDVTHMBJIFSGZ-MDWZMJQESA-N 0 0 289.425 3.667 20 10 CHCDRN CC[C@@H](Cc1ccccc1)N(C)C(=O)C1=CC(=O)CS1 ZINC000743688545 1129533810 /nfs/dbraw/zinc/53/38/10/1129533810.db2.gz ZOIVXAUDKZHLIQ-ZDUSSCGKSA-N 0 0 289.400 3.547 20 10 CHCDRN CN(Cc1cccc2cccnc21)c1ccc2c(c1)OCO2 ZINC000121332303 1129688724 /nfs/dbraw/zinc/68/87/24/1129688724.db2.gz LVQWQISVDWRGPI-UHFFFAOYSA-N 0 0 292.338 3.600 20 10 CHCDRN CNc1ccccc1N[C@@H](CC1CCCCC1)C(=O)OC ZINC001169162785 1129706095 /nfs/dbraw/zinc/70/60/95/1129706095.db2.gz AXXYWNILTZLJGL-INIZCTEOSA-N 0 0 290.407 3.652 20 10 CHCDRN CCOc1ccc(N(CC)CCc2csc(C)n2)cc1 ZINC000767424347 1129793924 /nfs/dbraw/zinc/79/39/24/1129793924.db2.gz XYFSCAXBKBSIJV-UHFFFAOYSA-N 0 0 290.432 3.919 20 10 CHCDRN COc1ccc(N(C/C=C\Cl)C(C)C)cc1F ZINC000767890509 1129817559 /nfs/dbraw/zinc/81/75/59/1129817559.db2.gz CGVWVDGJLXBRNF-DAXSKMNVSA-N 0 0 257.736 3.802 20 10 CHCDRN Oc1ccccc1CN(C/C=C\Cl)Cc1ccco1 ZINC000767899832 1129820168 /nfs/dbraw/zinc/82/01/68/1129820168.db2.gz OWSASBPDZONXGH-YWEYNIOJSA-N 0 0 277.751 3.740 20 10 CHCDRN Cc1csc2ccc(NCc3ccc(O)c(O)c3)nc12 ZINC001169990283 1129847121 /nfs/dbraw/zinc/84/71/21/1129847121.db2.gz DRBOOIJQSQBAAS-UHFFFAOYSA-N 0 0 286.356 3.628 20 10 CHCDRN Cc1ccc2oc(C(=O)N(C)Cc3ccccc3O)cc2c1 ZINC000383686317 1129856050 /nfs/dbraw/zinc/85/60/50/1129856050.db2.gz DIALKWYSMYPDEQ-UHFFFAOYSA-N 0 0 295.338 3.719 20 10 CHCDRN COc1cc(CN(C)c2cc(F)ccc2F)c(O)cc1C ZINC000768465932 1129858881 /nfs/dbraw/zinc/85/88/81/1129858881.db2.gz SQVHDLOGLIOWJR-UHFFFAOYSA-N 0 0 293.313 3.624 20 10 CHCDRN Cc1ccc2cc(NCc3ccc(O)c(O)c3)ncc2c1 ZINC001169993341 1129862417 /nfs/dbraw/zinc/86/24/17/1129862417.db2.gz MFFQZVPWPKEXFX-UHFFFAOYSA-N 0 0 280.327 3.567 20 10 CHCDRN CN(C)c1ccc(CNC(=O)C2CCC(C)(C)CC2)cc1 ZINC000768571883 1129863292 /nfs/dbraw/zinc/86/32/92/1129863292.db2.gz XSYVYFIXFFBNKW-UHFFFAOYSA-N 0 0 288.435 3.585 20 10 CHCDRN C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001461002518 1129900043 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[O-]c1cccc(F)c1C[NH+]1CCC(c2cccs2)CC1 ZINC001137837826 1131421071 /nfs/dbraw/zinc/42/10/71/1131421071.db2.gz WCXIBMRDCJBRAB-UHFFFAOYSA-N 0 0 291.391 3.972 20 10 CHCDRN C[N@H+](CCc1ccc(Cl)cc1)Cc1c([O-])cccc1F ZINC001137839169 1131421207 /nfs/dbraw/zinc/42/12/07/1131421207.db2.gz UVHBHAHUWMPBDN-UHFFFAOYSA-N 0 0 293.769 3.859 20 10 CHCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001137838906 1131421750 /nfs/dbraw/zinc/42/17/50/1131421750.db2.gz MFPBEUMDSZAVTL-ZDUSSCGKSA-N 0 0 289.325 3.660 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000830140641 1131446523 /nfs/dbraw/zinc/44/65/23/1131446523.db2.gz FPXPULPRYVNUFZ-HUUCEWRRSA-N 0 0 287.403 3.567 20 10 CHCDRN CCC1(C(=O)NCc2ccccc2O)CCC(F)(F)CC1 ZINC000830526203 1131460436 /nfs/dbraw/zinc/46/04/36/1131460436.db2.gz FNSPZPLYBHWJHO-UHFFFAOYSA-N 0 0 297.345 3.614 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000824651044 1131478050 /nfs/dbraw/zinc/47/80/50/1131478050.db2.gz TUUVJMKCYIKLRE-GFCCVEGCSA-N 0 0 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279.405 3.542 20 10 CHCDRN C[C@@H](NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccc(N(C)C)cc1 ZINC000844486536 1131570592 /nfs/dbraw/zinc/57/05/92/1131570592.db2.gz YCMMVCFFEMGHQO-AHEZYBDSSA-N 0 0 298.430 3.532 20 10 CHCDRN Nc1ccc(Cc2noc([C@H]3C[C@H]3C3CCCC3)n2)cc1 ZINC000844905777 1131606339 /nfs/dbraw/zinc/60/63/39/1131606339.db2.gz GFKKAHAMZDCTBP-GJZGRUSLSA-N 0 0 283.375 3.536 20 10 CHCDRN CCCC[N@H+](C)Cc1cc(Br)c(F)cc1[O-] ZINC001144298310 1131612789 /nfs/dbraw/zinc/61/27/89/1131612789.db2.gz BDWLJQOKMNZSPY-UHFFFAOYSA-N 0 0 290.176 3.526 20 10 CHCDRN CCn1cc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3C)cn1 ZINC000035780351 1131617499 /nfs/dbraw/zinc/61/74/99/1131617499.db2.gz HWPGHWBIOMIQHU-DGCLKSJQSA-N 0 0 271.364 3.577 20 10 CHCDRN CCC[C@@H]1CCCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139683356 1131628072 /nfs/dbraw/zinc/62/80/72/1131628072.db2.gz LVJLQOCOBFYRHT-LLVKDONJSA-N 0 0 269.335 3.825 20 10 CHCDRN Cc1ccc2c(c1)CC[N@@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139690123 1131629047 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1131674482 /nfs/dbraw/zinc/67/44/82/1131674482.db2.gz JLKNHOZRVQMHBY-UHFFFAOYSA-N 0 0 291.341 3.919 20 10 CHCDRN Cc1cc(C(=O)N[C@@H]2CC[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC001140221799 1131679116 /nfs/dbraw/zinc/67/91/16/1131679116.db2.gz GKCAJPXAVZXYIG-FZKQIMNGSA-N 0 0 296.414 3.931 20 10 CHCDRN COc1cccc([C@@H](C)Nc2ccc(C)cc2OC)c1O ZINC000846159341 1131692742 /nfs/dbraw/zinc/69/27/42/1131692742.db2.gz JRXZTXKKZLAZMI-GFCCVEGCSA-N 0 0 287.359 3.891 20 10 CHCDRN COc1c(F)cc(F)cc1N[C@H]1CCc2cccc(O)c21 ZINC000834751195 1131702764 /nfs/dbraw/zinc/70/27/64/1131702764.db2.gz LUZMNZFNOWSROZ-LBPRGKRZSA-N 0 0 291.297 3.778 20 10 CHCDRN CC[C@H](Nc1cc(COC)ccn1)c1ccc(N(C)C)cc1 ZINC000846211398 1131703132 /nfs/dbraw/zinc/70/31/32/1131703132.db2.gz FIGMXFREAJKQGW-KRWDZBQOSA-N 0 0 299.418 3.857 20 10 CHCDRN CC(C)[C@H](N[C@@H]1CCc2cccc(O)c21)C(F)(F)F ZINC000834779678 1131704193 /nfs/dbraw/zinc/70/41/93/1131704193.db2.gz QJYAWBSFARSMRS-MFKMUULPSA-N 0 0 273.298 3.556 20 10 CHCDRN C[C@H](C1CC1)n1cc(N[C@H]2CCc3cccc(O)c32)cn1 ZINC000834774534 1131704780 /nfs/dbraw/zinc/70/47/80/1131704780.db2.gz QHEFNTQNXLCFRB-ABAIWWIYSA-N 0 0 283.375 3.659 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CCCC1(F)F)c1cc(F)cc(F)c1[O-] ZINC000834885101 1131718690 /nfs/dbraw/zinc/71/86/90/1131718690.db2.gz GOKYEAMWRHELQP-DTWKUNHWSA-N 0 0 291.288 3.756 20 10 CHCDRN Cc1cc(C)c([C@@H](C)Nc2cccc(CCO)c2)c(O)c1 ZINC000834910865 1131730225 /nfs/dbraw/zinc/73/02/25/1131730225.db2.gz GFHBXIYSKCNQMU-CQSZACIVSA-N 0 0 285.387 3.717 20 10 CHCDRN CN(C)c1ccc(O[C@H](c2cccnc2)C(F)(F)F)cc1 ZINC001227938870 1131772477 /nfs/dbraw/zinc/77/24/77/1131772477.db2.gz GQOLDRWWPLIUMR-CQSZACIVSA-N 0 0 296.292 3.830 20 10 CHCDRN CN(C)c1ccc(OC2CC(OCc3ccccc3)C2)cc1 ZINC001227939332 1131772729 /nfs/dbraw/zinc/77/27/29/1131772729.db2.gz SHETZRPXIPHBIF-UHFFFAOYSA-N 0 0 297.398 3.879 20 10 CHCDRN CN(C)c1ccc(CN2Cc3cc(F)c(F)cc3C2)cc1 ZINC000847044070 1131775040 /nfs/dbraw/zinc/77/50/40/1131775040.db2.gz DTCIBETWCBRCSL-UHFFFAOYSA-N 0 0 288.341 3.547 20 10 CHCDRN O=C1c2ccccc2C(=O)c2c(O[C@H]3C=CCC3)cccc21 ZINC001228078470 1131803412 /nfs/dbraw/zinc/80/34/12/1131803412.db2.gz IZCIAFUVJCJQTG-LBPRGKRZSA-N 0 0 290.318 3.559 20 10 CHCDRN O=[N+]([O-])c1cnc(Sc2cccc(Cl)c2)s1 ZINC000799934776 1131877820 /nfs/dbraw/zinc/87/78/20/1131877820.db2.gz IHIKSXPULWVWBW-UHFFFAOYSA-N 0 0 272.738 3.856 20 10 CHCDRN CC[N@H+](Cc1ccccc1O)Cc1cc(Cl)ccc1N ZINC001140717516 1131893495 /nfs/dbraw/zinc/89/34/95/1131893495.db2.gz BAELFGCJXAHKTM-UHFFFAOYSA-N 0 0 290.794 3.650 20 10 CHCDRN C/C=C(/C=C\C(=O)N[C@H](C)c1ccc(N(C)C)cc1)CC ZINC000773010964 1131919733 /nfs/dbraw/zinc/91/97/33/1131919733.db2.gz USNYVWMLDLGXQZ-YDJMVNDVSA-N 0 0 286.419 3.842 20 10 CHCDRN C[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)(C)C ZINC000773011040 1131919758 /nfs/dbraw/zinc/91/97/58/1131919758.db2.gz VRRYQUZVASYEKQ-STQMWFEESA-N 0 0 276.424 3.612 20 10 CHCDRN C[C@@H](NC(=O)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773016904 1131920164 /nfs/dbraw/zinc/92/01/64/1131920164.db2.gz 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/nfs/dbraw/zinc/98/59/66/1131985966.db2.gz PRPDXZWOHJABAU-UHFFFAOYSA-N 0 0 299.761 3.843 20 10 CHCDRN CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC001649160836 1132024368 /nfs/dbraw/zinc/02/43/68/1132024368.db2.gz FPBWPAQOTVRXIQ-RISCZKNCSA-N 0 0 283.362 3.975 20 10 CHCDRN CC(=O)c1cc(F)cc(C[NH+]2CCCCCCC2)c1[O-] ZINC000037322429 1132029720 /nfs/dbraw/zinc/02/97/20/1132029720.db2.gz LMBXMWVBUWBABB-UHFFFAOYSA-N 0 0 279.355 3.500 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)C1CCC1 ZINC000837369259 1132069827 /nfs/dbraw/zinc/06/98/27/1132069827.db2.gz MMRLSDDMJDIZDX-CQSZACIVSA-N 0 0 288.435 3.537 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2cnc(C3CC3)nc2)cc1 ZINC000839061429 1132177143 /nfs/dbraw/zinc/17/71/43/1132177143.db2.gz CZWFRQYFZQSHHI-UHFFFAOYSA-N 0 0 297.402 3.778 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH+]1CC(Cc2ccccc2)C1 ZINC000839128235 1132182806 /nfs/dbraw/zinc/18/28/06/1132182806.db2.gz OSGGBWLDJBTJCZ-UHFFFAOYSA-N 0 0 287.790 3.720 20 10 CHCDRN O=C(Nc1c2c(cc3c1CCC3)CCC2)C1=CC(=O)CS1 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CHCDRN CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1O)[C@H](O)C(C)C ZINC000840880324 1132301506 /nfs/dbraw/zinc/30/15/06/1132301506.db2.gz BWQAIVBOFRPPNP-ZMSDIMECSA-N 0 0 279.424 3.537 20 10 CHCDRN COCCc1ccccc1NCc1ccc(N(C)C)cc1C ZINC000840940436 1132309370 /nfs/dbraw/zinc/30/93/70/1132309370.db2.gz ZGZDTOAIZGBQGZ-UHFFFAOYSA-N 0 0 298.430 3.862 20 10 CHCDRN CCc1ccc(-c2noc(-c3nnsc3C3CC3)n2)cc1 ZINC001212680590 1132309908 /nfs/dbraw/zinc/30/99/08/1132309908.db2.gz MXDPLXYAPKQHJB-UHFFFAOYSA-N 0 0 298.371 3.695 20 10 CHCDRN CCOc1cccc(CNc2ccc(F)c(F)c2C)c1O ZINC000840977266 1132316637 /nfs/dbraw/zinc/31/66/37/1132316637.db2.gz GWJBARVMTZKYEZ-UHFFFAOYSA-N 0 0 293.313 3.990 20 10 CHCDRN CCCc1ccccc1NC(=O)NCCc1ccc(N)cc1 ZINC000841028187 1132322213 /nfs/dbraw/zinc/32/22/13/1132322213.db2.gz COSZEABSLHNBPA-UHFFFAOYSA-N 0 0 297.402 3.586 20 10 CHCDRN CCCOc1cccc(CNc2ccc(N)cc2)c1 ZINC000841040195 1132322792 /nfs/dbraw/zinc/32/27/92/1132322792.db2.gz MIZBRUBSFWVJNQ-UHFFFAOYSA-N 0 0 256.349 3.670 20 10 CHCDRN CC(C)c1ccc(CNc2ccc(N)cc2)cc1[N+](=O)[O-] ZINC000841040192 1132323251 /nfs/dbraw/zinc/32/32/51/1132323251.db2.gz LVKMBVGKCVIXKB-UHFFFAOYSA-N 0 0 285.347 3.913 20 10 CHCDRN Cc1ccccc1[C@H](NC(=O)Nc1ccc(N)cc1)C1CC1 ZINC000841299940 1132342802 /nfs/dbraw/zinc/34/28/02/1132342802.db2.gz KMUJDYQFWYWHGU-QGZVFWFLSA-N 0 0 295.386 3.850 20 10 CHCDRN C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841296263 1132343012 /nfs/dbraw/zinc/34/30/12/1132343012.db2.gz SJBGCNQMBLCCGW-SJKOYZFVSA-N 0 0 295.386 3.714 20 10 CHCDRN CCC[C@@H]1[C@H](C)CCCN1C(=O)Nc1ccc(N)cc1 ZINC000841299870 1132343430 /nfs/dbraw/zinc/34/34/30/1132343430.db2.gz LDWYLQXIUYXGIQ-IUODEOHRSA-N 0 0 275.396 3.701 20 10 CHCDRN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841300415 1132343947 /nfs/dbraw/zinc/34/39/47/1132343947.db2.gz RGQDTGBYHBPQCJ-RISCZKNCSA-N 0 0 275.396 3.605 20 10 CHCDRN CC(C)[C@H](CNC(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000841302019 1132343954 /nfs/dbraw/zinc/34/39/54/1132343954.db2.gz INSALSGHESDABJ-KRWDZBQOSA-N 0 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/nfs/dbraw/zinc/39/13/81/1132391381.db2.gz YSSLHWGGBKCCKZ-GFCCVEGCSA-N 0 0 299.842 3.885 20 10 CHCDRN C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841753816 1132391540 /nfs/dbraw/zinc/39/15/40/1132391540.db2.gz NNWDWYUCFJQHJA-FRRDWIJNSA-N 0 0 297.826 3.901 20 10 CHCDRN COCC1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841756675 1132393003 /nfs/dbraw/zinc/39/30/03/1132393003.db2.gz YUDLZCPHYPHUTE-DCBWTQNWSA-N 0 0 297.826 3.901 20 10 CHCDRN CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCO1 ZINC000841759618 1132393507 /nfs/dbraw/zinc/39/35/07/1132393507.db2.gz OOZUXNHEQUWSGZ-GHJWDPDVSA-N 0 0 297.826 3.900 20 10 CHCDRN C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1C ZINC001231911046 1132399389 /nfs/dbraw/zinc/39/93/89/1132399389.db2.gz ZQMPTCGRBROQCL-NEPJUHHUSA-N 0 0 267.800 3.914 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000841888546 1132400571 /nfs/dbraw/zinc/40/05/71/1132400571.db2.gz LIAFTHKOUDNLPX-UHFFFAOYSA-N 0 0 295.810 3.579 20 10 CHCDRN 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C[C@@H]1Cc2ccccc2N1Cc1ccc(Cl)cc1O ZINC001205143483 1133535806 /nfs/dbraw/zinc/53/58/06/1133535806.db2.gz MYUMLZLDRJUFPM-LLVKDONJSA-N 0 0 273.763 3.997 20 10 CHCDRN CCn1nccc1Nc1ccccc1C(=O)c1ccccc1 ZINC001205301426 1133557336 /nfs/dbraw/zinc/55/73/36/1133557336.db2.gz LUNAATBXAZEURR-UHFFFAOYSA-N 0 0 291.354 3.878 20 10 CHCDRN COc1ccc(N(C)Cc2cc3cnccc3o2)cc1F ZINC001205360007 1133570456 /nfs/dbraw/zinc/57/04/56/1133570456.db2.gz KERIAUQOZWIWCF-UHFFFAOYSA-N 0 0 286.306 3.612 20 10 CHCDRN Cc1ccc(CNc2cc(-n3cccn3)ccc2C)c(O)c1 ZINC001205659048 1133599405 /nfs/dbraw/zinc/59/94/05/1133599405.db2.gz AQLLQILTPPPROU-UHFFFAOYSA-N 0 0 293.370 3.807 20 10 CHCDRN CC(C)(CC[NH2+]Cc1cc(F)c(F)cc1[O-])C1CC1 ZINC001206031313 1133644099 /nfs/dbraw/zinc/64/40/99/1133644099.db2.gz HMXQVWYFGPZOQC-UHFFFAOYSA-N 0 0 269.335 3.586 20 10 CHCDRN Cc1c(Cl)cncc1NCc1cc(F)c(F)cc1O ZINC001206041012 1133646667 /nfs/dbraw/zinc/64/66/67/1133646667.db2.gz QXZDWCFRMLTZDK-UHFFFAOYSA-N 0 0 284.693 3.639 20 10 CHCDRN CCc1cccc(CNc2cn(C)nc2-c2ccco2)c1O ZINC001206707567 1133734591 /nfs/dbraw/zinc/73/45/91/1133734591.db2.gz KRFPORSGEHPIGS-UHFFFAOYSA-N 0 0 297.358 3.560 20 10 CHCDRN COC1(C[NH2+]Cc2cccc(Cl)c2[O-])CCCCCC1 ZINC001207744450 1133843407 /nfs/dbraw/zinc/84/34/07/1133843407.db2.gz DZTDLAUGKZPMJB-UHFFFAOYSA-N 0 0 297.826 3.875 20 10 CHCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000166373130 1133916961 /nfs/dbraw/zinc/91/69/61/1133916961.db2.gz BHIZMTGXBIWCPY-CQSZACIVSA-N 0 0 271.335 3.521 20 10 CHCDRN C[N@H+](Cc1cccc(F)c1[O-])[C@@H]1CCc2ccccc21 ZINC000166372750 1133917466 /nfs/dbraw/zinc/91/74/66/1133917466.db2.gz KATIBPZBRSLIMM-MRXNPFEDSA-N 0 0 271.335 3.651 20 10 CHCDRN Fc1cc(Nc2ccc3c(c2)OCCN3)c(Cl)c(F)n1 ZINC001209713504 1134053572 /nfs/dbraw/zinc/05/35/72/1134053572.db2.gz AUCCAYZYJNQDOP-UHFFFAOYSA-N 0 0 297.692 3.561 20 10 CHCDRN COc1ccc(F)c(Nc2ccc3c(c2)OCCN3)c1F ZINC001209767900 1134064003 /nfs/dbraw/zinc/06/40/03/1134064003.db2.gz REAHLZKBEYCBKS-UHFFFAOYSA-N 0 0 292.285 3.521 20 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COCc1ccc(Cl)c(Nc2cccc(O)c2O)c1 ZINC001215596166 1134650801 /nfs/dbraw/zinc/65/08/01/1134650801.db2.gz CWYUBCZRYQGIFJ-UHFFFAOYSA-N 0 0 279.723 3.641 20 10 CHCDRN Oc1cccc(Nc2cccc(-c3ccncc3)c2)c1O ZINC001216147172 1134790731 /nfs/dbraw/zinc/79/07/31/1134790731.db2.gz AHIWZHLUOCVVCW-UHFFFAOYSA-N 0 0 278.311 3.903 20 10 CHCDRN Cc1cc(OC(C)C)cc(C)c1COc1cccnc1N ZINC001218443570 1135107206 /nfs/dbraw/zinc/10/72/06/1135107206.db2.gz VHTAXGHNSUFQQW-UHFFFAOYSA-N 0 0 286.375 3.647 20 10 CHCDRN CC(C)CC(C)(C)CNC(=O)N[C@H](C)c1ccccc1O ZINC001223037444 1135297375 /nfs/dbraw/zinc/29/73/75/1135297375.db2.gz KLEYCZWGIWDFSC-CYBMUJFWSA-N 0 0 292.423 3.825 20 10 CHCDRN COc1cc(Cl)cc(CNc2ccccc2OC)c1O ZINC000076274151 176967258 /nfs/dbraw/zinc/96/72/58/176967258.db2.gz MUSMMRWMZSJWJL-UHFFFAOYSA-N 0 0 293.750 3.675 20 10 CHCDRN CCOCCC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000184831119 262030361 /nfs/dbraw/zinc/03/03/61/262030361.db2.gz ISUCKNIMMFYCNC-SECBINFHSA-N 0 0 292.206 3.776 20 10 CHCDRN C[C@@H]([NH2+]Cc1nc(C2CC2)cs1)c1ccc(F)cc1[O-] ZINC000186117364 262080306 /nfs/dbraw/zinc/08/03/06/262080306.db2.gz BASCHGWMZRFEFI-SECBINFHSA-N 0 0 292.379 3.716 20 10 CHCDRN CC(C)Oc1ccc(N(C)C(=O)/C=C\c2cccnc2)cc1 ZINC000493323800 262146619 /nfs/dbraw/zinc/14/66/19/262146619.db2.gz QHFXVACZOKBTNC-WDZFZDKYSA-N 0 0 296.370 3.545 20 10 CHCDRN O=C(/C=C\c1cncs1)N1CCC=Cc2ccccc21 ZINC000493430927 262175885 /nfs/dbraw/zinc/17/58/85/262175885.db2.gz VBSSLBOHHQIVRZ-HJWRWDBZSA-N 0 0 282.368 3.606 20 10 CHCDRN CC[C@@H]([NH2+]CCc1cccnc1)c1cccc(Cl)c1[O-] ZINC000287854386 263102929 /nfs/dbraw/zinc/10/29/29/263102929.db2.gz WZRNUVKWAHNMQE-OAHLLOKOSA-N 0 0 290.794 3.724 20 10 CHCDRN CC(C)(C)c1cnc(SCC(=O)C2CCOCC2)s1 ZINC000092266494 327191358 /nfs/dbraw/zinc/19/13/58/327191358.db2.gz WAXMJAZMBMLRTE-UHFFFAOYSA-N 0 0 299.461 3.528 20 10 CHCDRN Cc1nc(C)c(C)c(NCc2c(O)ccc3c2CCCC3)n1 ZINC000301670938 328829340 /nfs/dbraw/zinc/82/93/40/328829340.db2.gz FGJGWOSQEZISPT-UHFFFAOYSA-N 0 0 297.402 3.598 20 10 CHCDRN Cc1cc(C)cc(N(C)Cc2c[nH]nc2-c2cccnc2)c1 ZINC000180698317 329222059 /nfs/dbraw/zinc/22/20/59/329222059.db2.gz BNMDHDABUYJHKT-UHFFFAOYSA-N 0 0 292.386 3.725 20 10 CHCDRN C[C@@H](Nc1cccc2c1OCC2)c1ccccc1O ZINC000527956580 330294797 /nfs/dbraw/zinc/29/47/97/330294797.db2.gz LEGAJOCRVSAAFZ-LLVKDONJSA-N 0 0 255.317 3.500 20 10 CHCDRN CCC(CC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000471223962 331503940 /nfs/dbraw/zinc/50/39/40/331503940.db2.gz VVRPBRUTQPEPQK-UHFFFAOYSA-N 0 0 272.392 3.539 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CCCC1(C)C ZINC000471232927 331504411 /nfs/dbraw/zinc/50/44/11/331504411.db2.gz FOOYXFUEMDJUIN-HNNXBMFYSA-N 0 0 298.430 3.929 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccccc1F ZINC000471235747 331504412 /nfs/dbraw/zinc/50/44/12/331504412.db2.gz ULSCIWYFSWKSQJ-UHFFFAOYSA-N 0 0 296.345 3.556 20 10 CHCDRN CCN(C(=O)NCc1c(C)c2ccccc2n1C)C1CCC1 ZINC000472241919 331533116 /nfs/dbraw/zinc/53/31/16/331533116.db2.gz NRZKUHCDLGXXKT-UHFFFAOYSA-N 0 0 299.418 3.571 20 10 CHCDRN CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000236612689 519686380 /nfs/dbraw/zinc/68/63/80/519686380.db2.gz HIOPSIULHIJJCY-RDJZCZTQSA-N 0 0 288.435 3.532 20 10 CHCDRN CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000236716797 519796013 /nfs/dbraw/zinc/79/60/13/519796013.db2.gz PYTBAYDKQOKSCY-QGZVFWFLSA-N 0 0 282.387 3.722 20 10 CHCDRN CCCCCC(C)(C)CNC(=O)Cc1ccc(N)cc1 ZINC000094983161 519944992 /nfs/dbraw/zinc/94/49/92/519944992.db2.gz WKQURKXUSAEABN-UHFFFAOYSA-N 0 0 276.424 3.534 20 10 CHCDRN CCCOc1ccc(CCC(=O)Nc2ccc(N)cc2)cc1 ZINC000236798103 520342760 /nfs/dbraw/zinc/34/27/60/520342760.db2.gz ZTVSZPFSJCRTFI-UHFFFAOYSA-N 0 0 298.386 3.629 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C1=CCCCC1 ZINC000276121141 521687389 /nfs/dbraw/zinc/68/73/89/521687389.db2.gz BJOJPOMZBRMKBC-UHFFFAOYSA-N 0 0 273.376 3.631 20 10 CHCDRN COc1cc(C)c(NCc2cccc(OC)c2O)cc1C ZINC000277813873 522218426 /nfs/dbraw/zinc/21/84/26/522218426.db2.gz ZGEJRBCVOKTWSS-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN CC[C@H](c1ccncc1)[N@H+](C)Cc1cccc(F)c1[O-] ZINC000290432466 522965892 /nfs/dbraw/zinc/96/58/92/522965892.db2.gz LKSMCMIGAAZYGN-OAHLLOKOSA-N 0 0 274.339 3.509 20 10 CHCDRN COCc1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000062747812 523055490 /nfs/dbraw/zinc/05/54/90/523055490.db2.gz OZAYOJFZBOBDFZ-LBPRGKRZSA-N 0 0 289.350 3.529 20 10 CHCDRN COCc1cccc(N[C@@H](C)c2ccc(F)cc2O)c1 ZINC000062745982 523078177 /nfs/dbraw/zinc/07/81/77/523078177.db2.gz ZWTKMWMFKZKPOI-NSHDSACASA-N 0 0 275.323 3.851 20 10 CHCDRN CC[C@@H]1CCC[C@H](NC(=O)N(C)Cc2ccccc2O)C1 ZINC000077856171 523301167 /nfs/dbraw/zinc/30/11/67/523301167.db2.gz WXGKYWMOFBDCIT-HIFRSBDPSA-N 0 0 290.407 3.502 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)NCCC1CCCCC1 ZINC000046902914 523381177 /nfs/dbraw/zinc/38/11/77/523381177.db2.gz PECBJTGRWDPOFD-UHFFFAOYSA-N 0 0 290.407 3.504 20 10 CHCDRN COc1ccc(CSc2ncc(C(C)(C)C)s2)nn1 ZINC000282145409 524128489 /nfs/dbraw/zinc/12/84/89/524128489.db2.gz DZVGIWUFQOVYMY-UHFFFAOYSA-N 0 0 295.433 3.532 20 10 CHCDRN COc1ccc(N(Cc2cc(C)ncn2)[C@H](C)C2CC2)cc1 ZINC000293124132 524366891 /nfs/dbraw/zinc/36/68/91/524366891.db2.gz KSNGGPRKGRDJTR-CQSZACIVSA-N 0 0 297.402 3.599 20 10 CHCDRN Cc1cccc(CNc2ccc([C@@H]3CCOC3)cc2)c1O ZINC000293670593 524443182 /nfs/dbraw/zinc/44/31/82/524443182.db2.gz OUKQOQNWYPKUEM-MRXNPFEDSA-N 0 0 283.371 3.817 20 10 CHCDRN COc1ccc(N[C@@H]2CCc3cccc(O)c32)c(OC)c1 ZINC000296657377 524706113 /nfs/dbraw/zinc/70/61/13/524706113.db2.gz DWTLKIHKPMJVSA-CQSZACIVSA-N 0 0 285.343 3.509 20 10 CHCDRN COc1ccc(O)c([C@H](C)Nc2cc(C3CC3)ccn2)c1 ZINC000290081995 524775534 /nfs/dbraw/zinc/77/55/34/524775534.db2.gz GUNHCTAZZCUFSL-NSHDSACASA-N 0 0 284.359 3.846 20 10 CHCDRN Cc1ccc(O)c(CNc2cccc(NC(=O)C(C)C)c2)c1 ZINC000103855502 525354745 /nfs/dbraw/zinc/35/47/45/525354745.db2.gz ORVAKPYVPWILQD-UHFFFAOYSA-N 0 0 298.386 3.907 20 10 CHCDRN CSCCCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276879260 525425851 /nfs/dbraw/zinc/42/58/51/525425851.db2.gz FZJQVBQHJIULLH-JTQLQIEISA-N 0 0 289.391 3.854 20 10 CHCDRN C[C@@H]([NH2+]CCC1CCCC1)c1ccc(F)cc1[O-] ZINC000062747677 525430566 /nfs/dbraw/zinc/43/05/66/525430566.db2.gz PNPQMVMRPJPPDL-LLVKDONJSA-N 0 0 251.345 3.762 20 10 CHCDRN C[C@@H]([NH2+]CCC[C@H](C)O)c1ccc(Cl)c(Cl)c1[O-] ZINC000278924387 525441004 /nfs/dbraw/zinc/44/10/04/525441004.db2.gz WWTYFEIBTWCWDG-DTWKUNHWSA-N 0 0 292.206 3.511 20 10 CHCDRN Cc1ccc([C@@H](C)Nc2ccc3c(c2)CCO3)c(O)c1 ZINC000037103537 525752052 /nfs/dbraw/zinc/75/20/52/525752052.db2.gz ZAWSQGROAAVBDH-GFCCVEGCSA-N 0 0 269.344 3.809 20 10 CHCDRN COc1cccc(CN2Cc3cccc(Cl)c3C2)c1O ZINC000290414537 525959223 /nfs/dbraw/zinc/95/92/23/525959223.db2.gz KHWOBKNWQLPCGO-UHFFFAOYSA-N 0 0 289.762 3.570 20 10 CHCDRN COc1cccc(CNc2ccc(OC(C)C)cc2)c1O ZINC000020472899 526042502 /nfs/dbraw/zinc/04/25/02/526042502.db2.gz MMAMWVBTUHXACZ-UHFFFAOYSA-N 0 0 287.359 3.800 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000289699426 526327181 /nfs/dbraw/zinc/32/71/81/526327181.db2.gz FYMGTIRQDLTLAE-OAHLLOKOSA-N 0 0 288.778 3.778 20 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OONVYDAGQQIKQI-OUAUKWLOSA-N 0 0 269.335 3.757 20 10 CHCDRN Cc1cc(O)c(C[N@H+]2CCC[C@H]2C(C)C)cc1Cl ZINC001231870077 1132385319 /nfs/dbraw/zinc/38/53/19/1132385319.db2.gz IMELNVMFVWQJHT-AWEZNQCLSA-N 0 0 267.800 3.974 20 10 CHCDRN Cc1cc(C(=O)N2[C@H](C)CC[C@@H]2C)c(C)n1-c1ccccn1 ZINC000135246229 1125581614 /nfs/dbraw/zinc/58/16/14/1125581614.db2.gz RAZXWMYTSAYYSG-BETUJISGSA-N 0 0 297.402 3.502 20 10 CHCDRN CCC1(O)CCC([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841757202 1125596849 /nfs/dbraw/zinc/59/68/49/1125596849.db2.gz FSMKIEOIXMCFFE-XOMBGVMMSA-N 0 0 297.826 3.780 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841755024 1125594203 /nfs/dbraw/zinc/59/42/03/1125594203.db2.gz FUUAJEIRJDTLRK-FXPVBKGRSA-N 0 0 271.813 3.590 20 10 CHCDRN Cc1cc(CN2CCCc3cc(OC(F)F)ccc32)no1 ZINC000065597135 1125595198 /nfs/dbraw/zinc/59/51/98/1125595198.db2.gz GRMIQBPVXGRRQU-UHFFFAOYSA-N 0 0 294.301 3.537 20 10 CHCDRN Nc1ccc(Nc2cccc(OC(F)F)c2)cc1 ZINC001212062825 1125678691 /nfs/dbraw/zinc/67/86/91/1125678691.db2.gz SUKFNLPEMCNRPG-UHFFFAOYSA-N 0 0 250.248 3.614 20 10 CHCDRN COc1ccccc1[C@@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886491745 1125680406 /nfs/dbraw/zinc/68/04/06/1125680406.db2.gz OPANHAUOGGXUJG-VXGBXAGGSA-N 0 0 289.350 3.952 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCc2c1cccc2O)c1c([O-])cccc1F ZINC000886525021 1125684586 /nfs/dbraw/zinc/68/45/86/1125684586.db2.gz VWGFOOSEMSDALR-IINYFYTJSA-N 0 0 287.334 3.575 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1c([O-])cccc1F ZINC000886552232 1125690792 /nfs/dbraw/zinc/69/07/92/1125690792.db2.gz XARXQEQWAHLCII-NXEZZACHSA-N 0 0 273.298 3.760 20 10 CHCDRN COC1CCC(CC[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886587824 1125693639 /nfs/dbraw/zinc/69/36/39/1125693639.db2.gz GMSRYVZTDNOGCZ-HSBZDZAISA-N 0 0 295.398 3.777 20 10 CHCDRN COc1ccc(F)cc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886594327 1125695343 /nfs/dbraw/zinc/69/53/43/1125695343.db2.gz JZUGCMWWXDJEKS-SNVBAGLBSA-N 0 0 293.313 3.530 20 10 CHCDRN CSCCCCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886594776 1125695635 /nfs/dbraw/zinc/69/56/35/1125695635.db2.gz UIAZROYVEMEGRZ-LLVKDONJSA-N 0 0 271.401 3.715 20 10 CHCDRN Cc1cscc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886601541 1125696999 /nfs/dbraw/zinc/69/69/99/1125696999.db2.gz VWWXZVQJHHVIDP-SNVBAGLBSA-N 0 0 265.353 3.752 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)c1c([O-])cccc1F ZINC000886619238 1125699982 /nfs/dbraw/zinc/69/99/82/1125699982.db2.gz XGTYLASYNMFMJG-ZJUUUORDSA-N 0 0 273.298 3.617 20 10 CHCDRN C[C@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1c([O-])cccc1F ZINC000886648128 1125702515 /nfs/dbraw/zinc/70/25/15/1125702515.db2.gz MEKYAXZOPHSDTD-WFASDCNBSA-N 0 0 293.382 3.674 20 10 CHCDRN Cc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c(Cl)n1 ZINC000886651978 1125703320 /nfs/dbraw/zinc/70/33/20/1125703320.db2.gz WKACAHQKBZJOKI-JTQLQIEISA-N 0 0 294.757 3.739 20 10 CHCDRN C[C@@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1cc(F)cc(F)c1[O-] ZINC000886717550 1125712937 /nfs/dbraw/zinc/71/29/37/1125712937.db2.gz BWCYHXRLBKNUDF-PWSUYJOCSA-N 0 0 299.361 3.526 20 10 CHCDRN C[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1cc(F)cc(F)c1[O-] ZINC000886717549 1125713248 /nfs/dbraw/zinc/71/32/48/1125713248.db2.gz BWCYHXRLBKNUDF-JQWIXIFHSA-N 0 0 299.361 3.526 20 10 CHCDRN COc1ccc(N(C)Cc2nccn2C(C)C)cc1Cl ZINC000121865301 1125779670 /nfs/dbraw/zinc/77/96/70/1125779670.db2.gz BTCIYVPWEOZRIP-UHFFFAOYSA-N 0 0 293.798 3.762 20 10 CHCDRN CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1(C)C ZINC000768523200 1129860388 /nfs/dbraw/zinc/86/03/88/1129860388.db2.gz DFFDSPDQQHMZBC-KGLIPLIRSA-N 0 0 297.826 3.727 20 10 CHCDRN C[C@@H](CCC1CC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000769417859 1129907316 /nfs/dbraw/zinc/90/73/16/1129907316.db2.gz PHNXDCKVCWKKLA-UWVGGRQHSA-N 0 0 269.335 3.900 20 10 CHCDRN C[C@H]([NH2+]C1CC2(C1)COC(C)(C)C2)c1c([O-])cccc1F ZINC000903325689 1126801515 /nfs/dbraw/zinc/80/15/15/1126801515.db2.gz MCXLRYNICLSFQH-DLGFLZQMSA-N 0 0 293.382 3.530 20 10 CHCDRN Nc1ccc(Cc2noc([C@H]3CCC=CCCC3)n2)cc1 ZINC000904077004 1126826461 /nfs/dbraw/zinc/82/64/61/1126826461.db2.gz MOVWMHCDUPZITJ-AWEZNQCLSA-N 0 0 283.375 3.847 20 10 CHCDRN CC[C@H](C)CC[C@H](C)Oc1cc(O)c(O)cc1C(C)=O ZINC001234477032 1130648365 /nfs/dbraw/zinc/64/83/65/1130648365.db2.gz QQUIUYMKYTXPGN-QWRGUYRKSA-N 0 0 280.364 3.894 20 10 CHCDRN c1cc(N2CCCCC2)ccc1CNc1nnc(C2CC2)o1 ZINC000181509627 1126856683 /nfs/dbraw/zinc/85/66/83/1126856683.db2.gz ZHCREXUEQFQJGR-UHFFFAOYSA-N 0 0 298.390 3.549 20 10 CHCDRN CCN(CC)c1ccc(CNc2nnc(C(C)C)o2)cc1 ZINC000181624232 1126858980 /nfs/dbraw/zinc/85/89/80/1126858980.db2.gz AHAWQISONAPILJ-UHFFFAOYSA-N 0 0 288.395 3.651 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)c1ccccc1 ZINC000183551402 1126888514 /nfs/dbraw/zinc/88/85/14/1126888514.db2.gz KCJSLYXSGFJTRD-OAHLLOKOSA-N 0 0 297.398 3.935 20 10 CHCDRN Cc1cc2c(cc1N[C@H](C)c1ccccc1O)OCO2 ZINC000183722692 1126890282 /nfs/dbraw/zinc/89/02/82/1126890282.db2.gz DCEUZMFJACRNHV-LLVKDONJSA-N 0 0 271.316 3.602 20 10 CHCDRN COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187736210 1126914023 /nfs/dbraw/zinc/91/40/23/1126914023.db2.gz DPGOBQSNAAAINN-NXEZZACHSA-N 0 0 287.350 3.525 20 10 CHCDRN Cc1ccc(O)c([C@@H](C)Nc2ccc(OC3COC3)cc2)c1 ZINC000188648735 1126924307 /nfs/dbraw/zinc/92/43/07/1126924307.db2.gz ZMXMRQDNNLWBIL-CYBMUJFWSA-N 0 0 299.370 3.651 20 10 CHCDRN CCOc1cc(C)c(-c2ccc3ccn(C)c3c2)cn1 ZINC001240575004 1126941707 /nfs/dbraw/zinc/94/17/07/1126941707.db2.gz OKSUUDOESKNRCH-UHFFFAOYSA-N 0 0 266.344 3.947 20 10 CHCDRN Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])o1 ZINC000191186063 1126949031 /nfs/dbraw/zinc/94/90/31/1126949031.db2.gz NAGBYIOKOXCMBM-UWVGGRQHSA-N 0 0 281.302 3.984 20 10 CHCDRN C[C@H](NC(=O)C1(C2CC2)CCC1)c1ccc(N(C)C)cc1 ZINC000907492297 1126979207 /nfs/dbraw/zinc/97/92/07/1126979207.db2.gz IKHKTKDSAQJYJF-ZDUSSCGKSA-N 0 0 286.419 3.510 20 10 CHCDRN C/C=C(\C=C\C(=O)N(C)Cc1ccc(N(C)C)cc1)CC ZINC000268701950 1127021158 /nfs/dbraw/zinc/02/11/58/1127021158.db2.gz BUKFPLDPTXYWQD-DIEFGVIJSA-N 0 0 286.419 3.624 20 10 CHCDRN CC[C@H]([NH2+]Cc1ccoc1C)c1ccc(F)cc1[O-] ZINC000796719920 1130925852 /nfs/dbraw/zinc/92/58/52/1130925852.db2.gz JDLSYMWQFIUYTA-AWEZNQCLSA-N 0 0 263.312 3.674 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](C)C2)cc1 ZINC000028017935 1127043848 /nfs/dbraw/zinc/04/38/48/1127043848.db2.gz ZFWUOUSTVZPNNX-CQSZACIVSA-N 0 0 296.414 3.966 20 10 CHCDRN CCC[N@H+](Cc1ccccc1O)Cc1cnccc1C ZINC000269594789 1127042147 /nfs/dbraw/zinc/04/21/47/1127042147.db2.gz JDNAIUNCWWSZRZ-UHFFFAOYSA-N 0 0 270.376 3.508 20 10 CHCDRN C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1ccc(N(C)C)cc1 ZINC000698115829 1127083451 /nfs/dbraw/zinc/08/34/51/1127083451.db2.gz JOOBFNGCOITHKS-LLVKDONJSA-N 0 0 278.783 3.850 20 10 CHCDRN Cc1cc(C(=O)NCc2c(C)c3ccccc3n2C)c(C)o1 ZINC000348698164 1127124490 /nfs/dbraw/zinc/12/44/90/1127124490.db2.gz KQJHHPLYVHAYQU-UHFFFAOYSA-N 0 0 296.370 3.627 20 10 CHCDRN CC(C(=O)NCc1c(O)ccc2c1CCCC2)=C1CCCC1 ZINC000156359770 1127153911 /nfs/dbraw/zinc/15/39/11/1127153911.db2.gz IFYRDQHUPTYAIE-UHFFFAOYSA-N 0 0 299.414 3.778 20 10 CHCDRN Cc1cc(Cl)cc(CN2CCC[C@H]2C(F)(F)F)c1O ZINC001237680895 1131127192 /nfs/dbraw/zinc/12/71/92/1131127192.db2.gz JJAVMHBDPPDZBQ-NSHDSACASA-N 0 0 293.716 3.881 20 10 CHCDRN Cc1cccc(CNc2cnc3ccccc3c2)c1O ZINC000164966714 1127205642 /nfs/dbraw/zinc/20/56/42/1127205642.db2.gz SCFILEXVTIAQKS-UHFFFAOYSA-N 0 0 264.328 3.861 20 10 CHCDRN [O-]c1c(Cl)cc(F)cc1CN1CCCC[C@@H](F)C1 ZINC001237809181 1131142472 /nfs/dbraw/zinc/14/24/72/1131142472.db2.gz ZSSBSYKTFYXMKO-SNVBAGLBSA-N 0 0 275.726 3.509 20 10 CHCDRN Cc1oc(C(C)C)cc1C(=O)N(C)Cc1ccccc1O ZINC000285766621 1127242256 /nfs/dbraw/zinc/24/22/56/1127242256.db2.gz SYOTYCNSFBCCOW-UHFFFAOYSA-N 0 0 287.359 3.689 20 10 CHCDRN CC[C@@H]([NH2+]CC1CCSCC1)c1ccc(F)cc1[O-] ZINC000285976840 1127250588 /nfs/dbraw/zinc/25/05/88/1127250588.db2.gz HKOLSPLQGLMFSA-CQSZACIVSA-N 0 0 283.412 3.715 20 10 CHCDRN Nc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1 ZINC000224170557 1127253638 /nfs/dbraw/zinc/25/36/38/1127253638.db2.gz MPNFNRGFFPBPFP-UHFFFAOYSA-N 0 0 287.171 3.889 20 10 CHCDRN COc1ccc(O)c(CNc2cc(C)ccc2Cl)c1 ZINC000224494974 1127265156 /nfs/dbraw/zinc/26/51/56/1127265156.db2.gz LKCADVNUHHFGOU-UHFFFAOYSA-N 0 0 277.751 3.975 20 10 CHCDRN CC[C@H]([NH2+]CCc1ccccn1)c1cccc(Cl)c1[O-] ZINC000286844354 1127274522 /nfs/dbraw/zinc/27/45/22/1127274522.db2.gz FHMGVQCOZWDSHM-HNNXBMFYSA-N 0 0 290.794 3.724 20 10 CHCDRN CC[C@H](N[C@H](C)C(F)(F)F)c1ccc(C)cc1O ZINC000287247628 1127298033 /nfs/dbraw/zinc/29/80/33/1127298033.db2.gz HRECTXOOCVMKEG-KOLCDFICSA-N 0 0 261.287 3.692 20 10 CHCDRN COc1ccc(N(C)Cc2ncc(C3CC3)o2)cc1Cl ZINC000760845892 1127310792 /nfs/dbraw/zinc/31/07/92/1127310792.db2.gz DPTOZGCFWFBJSR-UHFFFAOYSA-N 0 0 292.766 3.850 20 10 CHCDRN CO[C@H]1Cc2ccc(N[C@@H](C)c3cc(C)ccc3O)cc2C1 ZINC000760881383 1127312897 /nfs/dbraw/zinc/31/28/97/1127312897.db2.gz IEKILOCMUCHAHW-GUYCJALGSA-N 0 0 297.398 3.987 20 10 CHCDRN CC[C@H]([NH2+]CCCC(C)(C)CO)c1cccc(Cl)c1[O-] ZINC000287776321 1127313804 /nfs/dbraw/zinc/31/38/04/1127313804.db2.gz RVTICMRRRQQWET-AWEZNQCLSA-N 0 0 299.842 3.885 20 10 CHCDRN CCN(CC)c1ccc(CNc2ccc(F)nc2)cc1 ZINC000225943993 1127360184 /nfs/dbraw/zinc/36/01/84/1127360184.db2.gz VUVVXKLOWNKAGK-UHFFFAOYSA-N 0 0 273.355 3.679 20 10 CHCDRN C[C@H]([NH2+]CC1CC(F)(F)C1)c1cc(Cl)ccc1O ZINC000293678744 1127512201 /nfs/dbraw/zinc/51/22/01/1127512201.db2.gz NBQNIBYHFMFXAZ-QMMMGPOBSA-N 0 0 275.726 3.742 20 10 CHCDRN COc1ccc(N(C)Cc2cc(C)oc2C)cc1OC ZINC000761219871 1127539432 /nfs/dbraw/zinc/53/94/32/1127539432.db2.gz DTFJCUJQFPYSFL-UHFFFAOYSA-N 0 0 275.348 3.550 20 10 CHCDRN CCc1ccc(CN(C)c2ccc(OC)c(OC)c2)s1 ZINC000761222803 1127546661 /nfs/dbraw/zinc/54/66/61/1127546661.db2.gz RRQWKPWDMZWREE-UHFFFAOYSA-N 0 0 291.416 3.964 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@H]1CCCc2occc21 ZINC000294315358 1127564784 /nfs/dbraw/zinc/56/47/84/1127564784.db2.gz QTZFTLGNITWQOW-ZDUSSCGKSA-N 0 0 295.741 3.945 20 10 CHCDRN Cc1cc(C(=O)N2CCCCCC2)c(C)n1-c1ccccn1 ZINC000298290207 1127718795 /nfs/dbraw/zinc/71/87/95/1127718795.db2.gz DOVBEBJFOOGFPP-UHFFFAOYSA-N 0 0 297.402 3.505 20 10 CHCDRN C[C@H]([NH2+]CCCOc1ccccc1)c1ccc(F)cc1[O-] ZINC000062748453 1127774154 /nfs/dbraw/zinc/77/41/54/1127774154.db2.gz UEKXPBYIBDJZAF-ZDUSSCGKSA-N 0 0 289.350 3.651 20 10 CHCDRN Oc1c(Cl)cccc1CNc1ccc2c(c1)COC2 ZINC000311619676 1127939296 /nfs/dbraw/zinc/93/92/96/1127939296.db2.gz HWRKFUFDYZBQGE-UHFFFAOYSA-N 0 0 275.735 3.688 20 10 CHCDRN CCCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000134902765 1128077050 /nfs/dbraw/zinc/07/70/50/1128077050.db2.gz XXOOEOAPEKKAOP-QMMMGPOBSA-N 0 0 290.176 3.745 20 10 CHCDRN C[C@H](NC(=O)[C@H]1CCC=CCCC1)c1ccccc1O ZINC000913763485 1128080387 /nfs/dbraw/zinc/08/03/87/1128080387.db2.gz ICLGBEKWXGADCF-KBPBESRZSA-N 0 0 273.376 3.706 20 10 CHCDRN COc1ccc(N(C)Cc2cnc(C3CC3)s2)cc1F ZINC000780779798 1128099335 /nfs/dbraw/zinc/09/93/35/1128099335.db2.gz XYKWTQBUSXMYPQ-UHFFFAOYSA-N 0 0 292.379 3.805 20 10 CHCDRN Clc1ccc(-c2nc(Sc3nccs3)n[nH]2)cc1 ZINC000914862854 1128255607 /nfs/dbraw/zinc/25/56/07/1128255607.db2.gz UBIFCFIEKHKWPQ-UHFFFAOYSA-N 0 0 294.792 3.733 20 10 CHCDRN c1csc(Sc2nnc3sc4ccccc4n23)n1 ZINC000914862545 1128255803 /nfs/dbraw/zinc/25/58/03/1128255803.db2.gz LPKLFMGNXKCIGU-UHFFFAOYSA-N 0 0 290.398 3.552 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1c([O-])cccc1F ZINC000927062902 1128213462 /nfs/dbraw/zinc/21/34/62/1128213462.db2.gz PXBGRPXHTXZWPU-RISCZKNCSA-N 0 0 286.350 3.655 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)c1c([O-])cccc1F ZINC000927100882 1128217368 /nfs/dbraw/zinc/21/73/68/1128217368.db2.gz VEYCDXOPPPEORI-RYUDHWBXSA-N 0 0 295.398 3.776 20 10 CHCDRN CCOc1ccc(N(CC)Cc2cc(C)nnc2C)cc1 ZINC000929914238 1128293519 /nfs/dbraw/zinc/29/35/19/1128293519.db2.gz XMDATMCITKPXCX-UHFFFAOYSA-N 0 0 285.391 3.519 20 10 CHCDRN O=C(C[C@@H]1CC=CCC1)NCc1ccc(N2CCCC2)cc1 ZINC000930204845 1128307755 /nfs/dbraw/zinc/30/77/55/1128307755.db2.gz DCBFFSQFGQCMSI-MRXNPFEDSA-N 0 0 298.430 3.649 20 10 CHCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C=C(\C)C(C)(C)C)c1 ZINC000762804096 1128319053 /nfs/dbraw/zinc/31/90/53/1128319053.db2.gz 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/nfs/dbraw/zinc/46/41/24/1121464124.db2.gz FFKYRBREDFYIKY-UHFFFAOYSA-N 0 0 293.304 3.832 20 10 CHCDRN COc1cccc(Nc2cccc(O)c2O)c1Cl ZINC001175899115 1121491916 /nfs/dbraw/zinc/49/19/16/1121491916.db2.gz LITDLFXCFKNZDC-UHFFFAOYSA-N 0 0 265.696 3.503 20 10 CHCDRN CC1(C)C=C(N(CCO)c2ccc(N)cc2)CC(C)(C)C1 ZINC001175947286 1121516080 /nfs/dbraw/zinc/51/60/80/1121516080.db2.gz LKGYXSXXNRYPLW-UHFFFAOYSA-N 0 0 288.435 3.798 20 10 CHCDRN Nc1ccc(N(CCO)c2ccc(F)c3ccccc32)cc1 ZINC001175956080 1121517762 /nfs/dbraw/zinc/51/77/62/1121517762.db2.gz RJSKCDVZJHAPPS-UHFFFAOYSA-N 0 0 296.345 3.692 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]CCC1=CCCC1 ZINC000182664340 1128991519 /nfs/dbraw/zinc/99/15/19/1128991519.db2.gz NLBBOFQDUFEMBI-UHFFFAOYSA-N 0 0 251.757 3.636 20 10 CHCDRN CCOc1cc(F)c(F)cc1Nc1cccc(O)c1O ZINC001211803547 1121601881 /nfs/dbraw/zinc/60/18/81/1121601881.db2.gz PNRNWHPRNVOZCK-UHFFFAOYSA-N 0 0 281.258 3.518 20 10 CHCDRN CC(C)CCC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC000725844186 1121606554 /nfs/dbraw/zinc/60/65/54/1121606554.db2.gz OKMYHELDJXBPJL-GFCCVEGCSA-N 0 0 280.368 3.605 20 10 CHCDRN CC(C)c1cccc(NC(=O)CSc2nccs2)c1 ZINC000047247708 1121608769 /nfs/dbraw/zinc/60/87/69/1121608769.db2.gz DXIMSWFKFNOPHQ-UHFFFAOYSA-N 0 0 292.429 3.997 20 10 CHCDRN CCc1ccncc1NCc1ccc(N2CCCC2)cc1 ZINC001118301314 1121657394 /nfs/dbraw/zinc/65/73/94/1121657394.db2.gz GADKQICUTOMURG-UHFFFAOYSA-N 0 0 281.403 3.856 20 10 CHCDRN CCC(=O)COC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000727180570 1121706427 /nfs/dbraw/zinc/70/64/27/1121706427.db2.gz QQLVPNJUXWTJOG-UHFFFAOYSA-N 0 0 299.370 3.538 20 10 CHCDRN CCCCN(CC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773617691 1121718033 /nfs/dbraw/zinc/71/80/33/1121718033.db2.gz NQKNDPNAAYAZHO-AWEZNQCLSA-N 0 0 291.439 3.645 20 10 CHCDRN CC(C)C[C@H](C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000727665472 1121728844 /nfs/dbraw/zinc/72/88/44/1121728844.db2.gz LFNRGWLPUVHKQC-ZDUSSCGKSA-N 0 0 294.414 3.580 20 10 CHCDRN CCOc1ccc(N(CC)Cc2cn3ccccc3n2)cc1 ZINC000728173891 1121777629 /nfs/dbraw/zinc/77/76/29/1121777629.db2.gz XIGDONXVFAZXLQ-UHFFFAOYSA-N 0 0 295.386 3.760 20 10 CHCDRN CC1(C)C[C@]1(C)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC001179468896 1121880891 /nfs/dbraw/zinc/88/08/91/1121880891.db2.gz SHDWWEOFNFLSKN-CQSZACIVSA-N 0 0 271.763 3.711 20 10 CHCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000731867861 1121891020 /nfs/dbraw/zinc/89/10/20/1121891020.db2.gz YWLSROGIBNXBAX-ZDUSSCGKSA-N 0 0 291.347 3.570 20 10 CHCDRN O=C(OCc1ccc(F)cc1Cl)C1=CC(=O)CS1 ZINC000731911909 1121894386 /nfs/dbraw/zinc/89/43/86/1121894386.db2.gz NIMBYOHUXWNOOY-UHFFFAOYSA-N 0 0 286.711 3.603 20 10 CHCDRN Cc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1C ZINC001179771356 1121906943 /nfs/dbraw/zinc/90/69/43/1121906943.db2.gz AJRKTAPFWDVWNC-UHFFFAOYSA-N 0 0 275.779 3.952 20 10 CHCDRN O=C(N[C@@H](c1ccco1)c1ccccc1)C1=CC(=O)CS1 ZINC000732258994 1121913826 /nfs/dbraw/zinc/91/38/26/1121913826.db2.gz JTCCCLSRKHKNSP-OAHLLOKOSA-N 0 0 299.351 3.566 20 10 CHCDRN CC(C)c1ccc(CCNC(=O)C2=CC(=O)CS2)cc1 ZINC000732265181 1121914123 /nfs/dbraw/zinc/91/41/23/1121914123.db2.gz OCQNLBYPZGUWGD-UHFFFAOYSA-N 0 0 289.400 3.550 20 10 CHCDRN CCCC1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000732276679 1121914701 /nfs/dbraw/zinc/91/47/01/1121914701.db2.gz XBXARHRXFUFBRL-UHFFFAOYSA-N 0 0 267.394 3.542 20 10 CHCDRN Cc1ccc(C2=CCN(C(=O)C3=CC(=O)CS3)CC2)cc1 ZINC000732259816 1121914863 /nfs/dbraw/zinc/91/48/63/1121914863.db2.gz XROLDIOVBURQSS-UHFFFAOYSA-N 0 0 299.395 3.692 20 10 CHCDRN Cc1ccccc1[C@H](C)N(C)C(=O)C1=CC(=O)CS1 ZINC000732269285 1121915721 /nfs/dbraw/zinc/91/57/21/1121915721.db2.gz PJROYYQXCVMJRZ-NSHDSACASA-N 0 0 275.373 3.595 20 10 CHCDRN Cc1ccccc1CN(C(=O)C1=CC(=O)CS1)C1CC1 ZINC000732269843 1121915786 /nfs/dbraw/zinc/91/57/86/1121915786.db2.gz VQVUPEPRKQPUNP-UHFFFAOYSA-N 0 0 287.384 3.567 20 10 CHCDRN O=C(NCCCCCc1ccccc1)C1=CC(=O)CS1 ZINC000732284281 1121916124 /nfs/dbraw/zinc/91/61/24/1121916124.db2.gz OAABRCBRYZFOLP-UHFFFAOYSA-N 0 0 289.400 3.597 20 10 CHCDRN CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000732269245 1121916405 /nfs/dbraw/zinc/91/64/05/1121916405.db2.gz PEWYJQGZLGTBHV-NWDGAFQWSA-N 0 0 281.421 3.788 20 10 CHCDRN CC(C)CC[C@@H]1CCC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000732285103 1121916608 /nfs/dbraw/zinc/91/66/08/1121916608.db2.gz RGNARDJTNZFSGT-WCQYABFASA-N 0 0 281.421 3.788 20 10 CHCDRN Cc1ncc(/C=C/C(=O)N2CCCCc3ccccc32)s1 ZINC000732733424 1121937738 /nfs/dbraw/zinc/93/77/38/1121937738.db2.gz KDCTYDJXKJHULJ-MDZDMXLPSA-N 0 0 298.411 3.834 20 10 CHCDRN Cc1cccc2[nH]c(C[N@@H+](C)Cc3ccccc3O)cc21 ZINC001180239340 1121968029 /nfs/dbraw/zinc/96/80/29/1121968029.db2.gz IJZRMTROJWLMJD-UHFFFAOYSA-N 0 0 280.371 3.814 20 10 CHCDRN CC(C)[C@@H](C)[N@H+](Cc1ccc(F)c(F)c1[O-])C1CC1 ZINC001180478910 1121988803 /nfs/dbraw/zinc/98/88/03/1121988803.db2.gz DVXLPGXRJFDDSR-SNVBAGLBSA-N 0 0 269.335 3.679 20 10 CHCDRN C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])CC1(C)C ZINC001180672165 1122004814 /nfs/dbraw/zinc/00/48/14/1122004814.db2.gz GKYYTSLABQOROL-SNVBAGLBSA-N 0 0 269.335 3.538 20 10 CHCDRN [O-]c1c(C[NH2+]CCCc2ccccc2F)ccc(F)c1F ZINC001181381798 1122050507 /nfs/dbraw/zinc/05/05/07/1122050507.db2.gz BQTVUGWEHAHWFI-UHFFFAOYSA-N 0 0 295.304 3.532 20 10 CHCDRN CC[C@@H](Nc1ccc(N2CCCC2)nc1)c1ccccc1O ZINC000192751622 1129034051 /nfs/dbraw/zinc/03/40/51/1129034051.db2.gz WQGAHYKRZOHASA-MRXNPFEDSA-N 0 0 297.402 3.951 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)CC[C@@H](C)CC ZINC000797190166 1122149174 /nfs/dbraw/zinc/14/91/74/1122149174.db2.gz BMRQSVCEAPOOQT-AWEZNQCLSA-N 0 0 277.408 3.957 20 10 CHCDRN Oc1ccccc1CNc1ccc2ccc(F)cc2n1 ZINC000774524548 1122178904 /nfs/dbraw/zinc/17/89/04/1122178904.db2.gz VFIPHTQXGBYWJM-UHFFFAOYSA-N 0 0 268.291 3.692 20 10 CHCDRN COc1ccc(N(C)Cc2ccc3[nH]ccc3c2)cc1OC ZINC001182605512 1122180078 /nfs/dbraw/zinc/18/00/78/1122180078.db2.gz VIMWDVZXPRGTDM-UHFFFAOYSA-N 0 0 296.370 3.822 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCc2c1cccc2O ZINC000271887161 1122181127 /nfs/dbraw/zinc/18/11/27/1122181127.db2.gz QYLWAJQZMOXICA-CQSZACIVSA-N 0 0 289.762 3.528 20 10 CHCDRN COc1ccc(N(C)C/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001182734434 1122187453 /nfs/dbraw/zinc/18/74/53/1122187453.db2.gz VHFFURJMLVKXCT-AATRIKPKSA-N 0 0 296.414 3.911 20 10 CHCDRN CCc1cccc(CN(CC)c2cccc(O)c2)c1O ZINC001182880183 1122193231 /nfs/dbraw/zinc/19/32/31/1122193231.db2.gz BQZQZNMMVJYMIV-UHFFFAOYSA-N 0 0 271.360 3.687 20 10 CHCDRN CCN(C)c1ccc([C@H](C)Nc2c(C)nn(C)c2C)cc1 ZINC000272195194 1122193869 /nfs/dbraw/zinc/19/38/69/1122193869.db2.gz ZXMLHILNKFFVOJ-LBPRGKRZSA-N 0 0 286.423 3.666 20 10 CHCDRN COc1cc(OC)c(N[C@H](C)c2ccccc2O)cc1F ZINC000272886588 1122214553 /nfs/dbraw/zinc/21/45/53/1122214553.db2.gz RQQMWPRENWTWCM-SNVBAGLBSA-N 0 0 291.322 3.722 20 10 CHCDRN CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])CCO1 ZINC000273354413 1122229290 /nfs/dbraw/zinc/22/92/90/1122229290.db2.gz CHUHSRZFOXEGLI-AEGPPILISA-N 0 0 295.398 3.776 20 10 CHCDRN CC(=O)NCc1ccc(N[C@@H](C)c2ccc(C)cc2O)cc1 ZINC000273409281 1122231395 /nfs/dbraw/zinc/23/13/95/1122231395.db2.gz HOGYHEMPRNXLTE-ZDUSSCGKSA-N 0 0 298.386 3.510 20 10 CHCDRN COCC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccco1 ZINC000273407492 1122231912 /nfs/dbraw/zinc/23/19/12/1122231912.db2.gz HJXGRWPGWAKHCE-BXUZGUMPSA-N 0 0 293.338 3.553 20 10 CHCDRN CC(=O)NCc1ccc(N[C@H](C)c2cc(C)ccc2O)cc1 ZINC000273446544 1122233006 /nfs/dbraw/zinc/23/30/06/1122233006.db2.gz NVCFVVYUSQJFBE-CYBMUJFWSA-N 0 0 298.386 3.510 20 10 CHCDRN Cc1nn(C)c(C)c1N[C@@H](C)c1ccc(C)c(C)c1O ZINC000273507585 1122236407 /nfs/dbraw/zinc/23/64/07/1122236407.db2.gz ZUQIVARULVSWDA-NSHDSACASA-N 0 0 273.380 3.532 20 10 CHCDRN C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000273496072 1122236862 /nfs/dbraw/zinc/23/68/62/1122236862.db2.gz PBLWQMKHWSREIC-VXGBXAGGSA-N 0 0 286.331 3.712 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1ccc(F)cc1[O-] ZINC000273528123 1122238044 /nfs/dbraw/zinc/23/80/44/1122238044.db2.gz VVBMXAJOQJMKTF-GHJWDPDVSA-N 0 0 295.398 3.776 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21 ZINC001183844702 1122240861 /nfs/dbraw/zinc/24/08/61/1122240861.db2.gz MMHZKKXDWNWJBQ-HOSYDEDBSA-N 0 0 283.774 3.711 20 10 CHCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C1(C2CCCCC2)CC1 ZINC001184239378 1122264508 /nfs/dbraw/zinc/26/45/08/1122264508.db2.gz MOMBSWOBJIHOGO-UHFFFAOYSA-N 0 0 281.346 3.873 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CC1(C)CCC1 ZINC001185100518 1122316674 /nfs/dbraw/zinc/31/66/74/1122316674.db2.gz BAVOOFNWAKBFAI-UHFFFAOYSA-N 0 0 288.435 3.681 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1ccc2ccccc2c1O ZINC000319798472 1122411677 /nfs/dbraw/zinc/41/16/77/1122411677.db2.gz ANXLDSVOVFWBLO-SQWLQELKSA-N 0 0 299.414 3.747 20 10 CHCDRN Cc1cnc(C)c(Nc2nc(-c3ccncc3)cs2)c1 ZINC001203654278 1122420858 /nfs/dbraw/zinc/42/08/58/1122420858.db2.gz FQKCXDKGFQBFKN-UHFFFAOYSA-N 0 0 282.372 3.961 20 10 CHCDRN Cc1ccc(F)cc1NC(=O)N[C@H](C)c1ccccc1O ZINC001191428515 1122599670 /nfs/dbraw/zinc/59/96/70/1122599670.db2.gz XBBBFGMWKWAHHV-LLVKDONJSA-N 0 0 288.322 3.722 20 10 CHCDRN CC[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1ccccc1O ZINC000775525601 1122645971 /nfs/dbraw/zinc/64/59/71/1122645971.db2.gz XNBOUEDVOWTRPY-JCGIZDLHSA-N 0 0 299.414 3.598 20 10 CHCDRN CSCCCCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000775581930 1122682094 /nfs/dbraw/zinc/68/20/94/1122682094.db2.gz MGHSAKPHDNUQLU-SNVBAGLBSA-N 0 0 289.391 3.854 20 10 CHCDRN CC[C@@H]1C[C@H]1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001270494101 1122779963 /nfs/dbraw/zinc/77/99/63/1122779963.db2.gz VBCHKFRMUQOOLP-RHSMWYFYSA-N 0 0 282.387 3.622 20 10 CHCDRN CCOc1ccc(N(C)Cc2ccc(C)nc2C)cc1 ZINC000775603976 1122784017 /nfs/dbraw/zinc/78/40/17/1122784017.db2.gz NGRHXZBQGISSNR-UHFFFAOYSA-N 0 0 270.376 3.734 20 10 CHCDRN COc1cc(C)cc(CNc2ccc3c(c2)CCCO3)c1O ZINC000894402190 1122841871 /nfs/dbraw/zinc/84/18/71/1122841871.db2.gz NCLPREYJRPMUEW-UHFFFAOYSA-N 0 0 299.370 3.646 20 10 CHCDRN CCC[C@H](C)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000775642083 1122849985 /nfs/dbraw/zinc/84/99/85/1122849985.db2.gz AIWCGKFZDZKXTQ-RDJZCZTQSA-N 0 0 291.435 3.809 20 10 CHCDRN CCNC(=S)Nc1ccc(C)cc1C(=O)c1ccccc1 ZINC001195347437 1122864639 /nfs/dbraw/zinc/86/46/39/1122864639.db2.gz IVGLVPDPDNVQNJ-UHFFFAOYSA-N 0 0 298.411 3.532 20 10 CHCDRN C[C@H](Nc1ccc2oc(N(C)C)nc2c1)c1ccccc1O ZINC000183701876 1129085149 /nfs/dbraw/zinc/08/51/49/1129085149.db2.gz GCPBCDIIKDXFNS-NSHDSACASA-N 0 0 297.358 3.773 20 10 CHCDRN C[C@@H](C1CC1)[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000775653246 1122868498 /nfs/dbraw/zinc/86/84/98/1122868498.db2.gz BAJHAPJSPPNCIC-VIFPVBQESA-N 0 0 283.774 3.948 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(F)cc2C)cc1 ZINC001195818968 1122890516 /nfs/dbraw/zinc/89/05/16/1122890516.db2.gz MGZXXYNLWZBXTP-UHFFFAOYSA-N 0 0 259.324 3.779 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000775726631 1122927259 /nfs/dbraw/zinc/92/72/59/1122927259.db2.gz YEYKQEXWWVSFGM-HNNXBMFYSA-N 0 0 287.790 3.863 20 10 CHCDRN COc1cccc(NCc2ccc(N(C)C)cc2)c1F ZINC000689992618 1122944184 /nfs/dbraw/zinc/94/41/84/1122944184.db2.gz ISPGQDJLMCWPOH-UHFFFAOYSA-N 0 0 274.339 3.512 20 10 CHCDRN Cc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])c(C)c1 ZINC000776025118 1123040765 /nfs/dbraw/zinc/04/07/65/1123040765.db2.gz VNOXJQZEHZCOIJ-UHFFFAOYSA-N 0 0 275.779 3.952 20 10 CHCDRN CCOc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000776050329 1123051363 /nfs/dbraw/zinc/05/13/63/1123051363.db2.gz GIKBULLVWUQCKJ-UHFFFAOYSA-N 0 0 291.778 3.734 20 10 CHCDRN CN(C)c1ccc(/C=C/CNc2ccc3c(c2)CCO3)cc1 ZINC001201298805 1123085290 /nfs/dbraw/zinc/08/52/90/1123085290.db2.gz NHTAFTVCDJFKSK-ONEGZZNKSA-N 0 0 294.398 3.813 20 10 CHCDRN CCc1cc2c(ncnc2Sc2nccs2)s1 ZINC000048894057 1123105784 /nfs/dbraw/zinc/10/57/84/1123105784.db2.gz LAVJDKROOLBJBC-UHFFFAOYSA-N 0 0 279.415 3.861 20 10 CHCDRN CC(C)Nc1ccc(Nc2cc(F)ncc2F)cc1 ZINC001201490017 1123108414 /nfs/dbraw/zinc/10/84/14/1123108414.db2.gz AILJKPWXZQOMEI-UHFFFAOYSA-N 0 0 263.291 3.924 20 10 CHCDRN COC(=O)Cc1cccc(Nc2ccc(NC(C)C)cc2)c1 ZINC001201497593 1123111580 /nfs/dbraw/zinc/11/15/80/1123111580.db2.gz JJMZSFHHLJNLCW-UHFFFAOYSA-N 0 0 298.386 3.966 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc3c(c2)CC(=O)N3)cc1 ZINC001201498267 1123111659 /nfs/dbraw/zinc/11/16/59/1123111659.db2.gz UNSNYMKKZIBSCT-UHFFFAOYSA-N 0 0 281.359 3.745 20 10 CHCDRN CC(C)Nc1ccc(Nc2cc(F)cc3c2NC(=O)C3)cc1 ZINC001201499830 1123112353 /nfs/dbraw/zinc/11/23/53/1123112353.db2.gz PVCYKPQEPMVOFS-UHFFFAOYSA-N 0 0 299.349 3.884 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc(-n3nccn3)cc2)cc1 ZINC001201499403 1123112528 /nfs/dbraw/zinc/11/25/28/1123112528.db2.gz LQVRQYPMCXKVAG-UHFFFAOYSA-N 0 0 293.374 3.831 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc3c(c2)CC(=O)N3C)cc1 ZINC001201499437 1123112611 /nfs/dbraw/zinc/11/26/11/1123112611.db2.gz NALZWSMRSDWUCC-UHFFFAOYSA-N 0 0 295.386 3.769 20 10 CHCDRN Nc1ccc(N(Cc2ccccc2)c2cncc(O)c2)cc1 ZINC001201642329 1123135161 /nfs/dbraw/zinc/13/51/61/1123135161.db2.gz RKIGXGQTZOTSRF-UHFFFAOYSA-N 0 0 291.354 3.708 20 10 CHCDRN CCC[C@H](C)N(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776237206 1123173638 /nfs/dbraw/zinc/17/36/38/1123173638.db2.gz FHJHGRWAPZVIKV-KBPBESRZSA-N 0 0 291.439 3.644 20 10 CHCDRN CC1(C)CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000776252013 1123178512 /nfs/dbraw/zinc/17/85/12/1123178512.db2.gz IODYTGGTUXUOTA-NSHDSACASA-N 0 0 271.763 3.853 20 10 CHCDRN CCN(Cc1ccccc1O)C(=O)Nc1cccc(F)c1 ZINC001202225181 1123189389 /nfs/dbraw/zinc/18/93/89/1123189389.db2.gz KATQVDPSQAFBHY-UHFFFAOYSA-N 0 0 288.322 3.585 20 10 CHCDRN CC(C)N(C(=O)CSc1ncc(Cl)s1)C(C)C ZINC000849997895 1123236016 /nfs/dbraw/zinc/23/60/16/1123236016.db2.gz GCHJMFOYSXIMRA-UHFFFAOYSA-N 0 0 292.857 3.534 20 10 CHCDRN Oc1ccc2ccccc2c1CN(CC(F)F)C1CC1 ZINC000106857117 1123214767 /nfs/dbraw/zinc/21/47/67/1123214767.db2.gz FTXGUPJLCMRZSO-UHFFFAOYSA-N 0 0 277.314 3.775 20 10 CHCDRN Cc1cc(O)c(CNc2cnn(C)c2C2CC2)cc1Cl ZINC000825537076 1123221620 /nfs/dbraw/zinc/22/16/20/1123221620.db2.gz QUKGXULVZCBGQL-UHFFFAOYSA-N 0 0 291.782 3.577 20 10 CHCDRN Clc1cnc(SCCC[C@@H]2CCOC2)s1 ZINC000850001674 1123236630 /nfs/dbraw/zinc/23/66/30/1123236630.db2.gz JVBSPRXBQYNHBT-MRVPVSSYSA-N 0 0 263.815 3.705 20 10 CHCDRN Cc1cnccc1CCSc1ncc(Cl)s1 ZINC000850002227 1123236776 /nfs/dbraw/zinc/23/67/76/1123236776.db2.gz WYDAQDGMAPRHTP-UHFFFAOYSA-N 0 0 270.810 3.835 20 10 CHCDRN Cc1cnc([C@@H](C)Sc2ncc(Cl)s2)o1 ZINC000849999927 1123236802 /nfs/dbraw/zinc/23/68/02/1123236802.db2.gz CPLSTEQUJUEHMB-ZCFIWIBFSA-N 0 0 260.771 3.946 20 10 CHCDRN CC1(C)C[C@@H](Sc2ncc(Cl)s2)CCO1 ZINC000850001332 1123236941 /nfs/dbraw/zinc/23/69/41/1123236941.db2.gz GKWUFVTUOFHGEG-ZETCQYMHSA-N 0 0 263.815 3.846 20 10 CHCDRN CCCCOC(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000850000007 1123237116 /nfs/dbraw/zinc/23/71/16/1123237116.db2.gz GKXJWFMQCLTEGF-SSDOTTSWSA-N 0 0 279.814 3.620 20 10 CHCDRN Cc1cccc(NC(=S)NCc2ccc(N(C)C)cc2)c1 ZINC000007371579 1123254755 /nfs/dbraw/zinc/25/47/55/1123254755.db2.gz CZTMMJJWMWFUPI-UHFFFAOYSA-N 0 0 299.443 3.548 20 10 CHCDRN CC[C@H]([NH2+][C@H]1COC(C)(C)C1)c1cccc(Cl)c1[O-] ZINC000850483282 1123273941 /nfs/dbraw/zinc/27/39/41/1123273941.db2.gz VVOIDWFAXVDDEQ-MFKMUULPSA-N 0 0 283.799 3.654 20 10 CHCDRN CCC(O)(CC)C(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000850501207 1123274937 /nfs/dbraw/zinc/27/49/37/1123274937.db2.gz KTZOFTOREKMQDA-LBPRGKRZSA-N 0 0 297.414 3.759 20 10 CHCDRN Cc1ccncc1CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000850505181 1123276298 /nfs/dbraw/zinc/27/62/98/1123276298.db2.gz ORTUADGTPBTACF-GFCCVEGCSA-N 0 0 290.794 3.642 20 10 CHCDRN CC[C@H]([NH2+]CCCOC(C)(C)C)c1ccc(F)cc1[O-] ZINC000850526345 1123281951 /nfs/dbraw/zinc/28/19/51/1123281951.db2.gz PSSXQXDELISROM-AWEZNQCLSA-N 0 0 283.387 3.777 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H]1CCC[C@H](C)O1)c1ccc(F)cc1[O-] ZINC000850535694 1123287007 /nfs/dbraw/zinc/28/70/07/1123287007.db2.gz ZJKJLVBCAYZLHI-WHOFXGATSA-N 0 0 281.371 3.530 20 10 CHCDRN CC[C@@H]([NH2+][C@H](CC)C1CC1)c1ccc(F)cc1[O-] ZINC000850540437 1123288335 /nfs/dbraw/zinc/28/83/35/1123288335.db2.gz MTKJVTAEJNIDLQ-ZIAGYGMSSA-N 0 0 251.345 3.761 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1cc(F)cc(F)c1[O-] ZINC000850553612 1123290039 /nfs/dbraw/zinc/29/00/39/1123290039.db2.gz ZMNDCSVJXLXHIP-HQJQHLMTSA-N 0 0 291.288 3.612 20 10 CHCDRN CO[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C1CCCC1 ZINC000850561428 1123291958 /nfs/dbraw/zinc/29/19/58/1123291958.db2.gz JNBKNQUMZZLFAQ-BMIGLBTASA-N 0 0 299.361 3.526 20 10 CHCDRN C[C@@H]([NH2+]CCCc1ccco1)c1cc(F)cc(F)c1[O-] ZINC000850569996 1123294347 /nfs/dbraw/zinc/29/43/47/1123294347.db2.gz PJJDWJMZKNNJAB-SNVBAGLBSA-N 0 0 281.302 3.547 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc(Cl)cc1[O-] ZINC000850571700 1123294926 /nfs/dbraw/zinc/29/49/26/1123294926.db2.gz UBUUVTHZKOGOFD-WDEREUQCSA-N 0 0 283.799 3.511 20 10 CHCDRN Cc1cccc2c1CCC[C@@H]2NC(=O)Nc1ccc(N)cc1 ZINC000850750926 1123299717 /nfs/dbraw/zinc/29/97/17/1123299717.db2.gz PVYDECZSAQGMEU-KRWDZBQOSA-N 0 0 295.386 3.776 20 10 CHCDRN COc1ccc(O)c(CNc2ccc(OC)c(Cl)c2)c1 ZINC000020087285 1123357762 /nfs/dbraw/zinc/35/77/62/1123357762.db2.gz YJXSKCOEGJCWQQ-UHFFFAOYSA-N 0 0 293.750 3.675 20 10 CHCDRN COc1ccc(N(Cc2coc(C)n2)CC(C)C)cc1 ZINC000851830360 1123382873 /nfs/dbraw/zinc/38/28/73/1123382873.db2.gz SLDLTUYUKMSGFZ-UHFFFAOYSA-N 0 0 274.364 3.654 20 10 CHCDRN Nc1ccc(NC(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000852790230 1123416139 /nfs/dbraw/zinc/41/61/39/1123416139.db2.gz LSHNWZAPQAYUBM-QAPCUYQASA-N 0 0 294.398 3.866 20 10 CHCDRN CN(C)c1ccc(-c2nc([C@H]3CCCOC3)cs2)cc1 ZINC000183877172 1129122078 /nfs/dbraw/zinc/12/20/78/1129122078.db2.gz WSGHAQQPMOCOGG-ZDUSSCGKSA-N 0 0 288.416 3.770 20 10 CHCDRN CC[C@H](COc1ccc(N(C)C)cc1)CC(F)F ZINC000853693629 1123447423 /nfs/dbraw/zinc/44/74/23/1123447423.db2.gz SGNRPZBIYAHEOE-NSHDSACASA-N 0 0 257.324 3.813 20 10 CHCDRN Oc1ccc(-c2ccccc2)cc1CN1CCC(F)(F)C1 ZINC000776695162 1123459170 /nfs/dbraw/zinc/45/91/70/1123459170.db2.gz TZPSSHUFSANJQE-UHFFFAOYSA-N 0 0 289.325 3.900 20 10 CHCDRN CCc1cc(Sc2ncc(Cl)s2)nc(C)n1 ZINC000853963783 1123463505 /nfs/dbraw/zinc/46/35/05/1123463505.db2.gz ADDGWQRJXJQROC-UHFFFAOYSA-N 0 0 271.798 3.609 20 10 CHCDRN CC[C@@H]([NH2+][C@H]1CCc2cc(N)ccc21)c1ccccc1O ZINC000854226056 1123478204 /nfs/dbraw/zinc/47/82/04/1123478204.db2.gz MNPGJUPOYZBAPG-SJORKVTESA-N 0 0 282.387 3.703 20 10 CHCDRN COc1cc(C)c(NC(=O)C2=CC(=O)CS2)c(C)c1C ZINC000854454840 1123485708 /nfs/dbraw/zinc/48/57/08/1123485708.db2.gz NKDIGXCELRUARG-UHFFFAOYSA-N 0 0 291.372 3.640 20 10 CHCDRN Cc1ccc(O)c([C@H](C)Nc2cccc(C(=O)N(C)C)c2)c1 ZINC000273471478 1129125620 /nfs/dbraw/zinc/12/56/20/1129125620.db2.gz SBIGXSGHCNTMIO-ZDUSSCGKSA-N 0 0 298.386 3.576 20 10 CHCDRN Cc1ncsc1/C=C/C(=O)N1CCCc2ccc(C)cc21 ZINC000776838714 1123537822 /nfs/dbraw/zinc/53/78/22/1123537822.db2.gz LRLNMPNIPUHXPJ-BQYQJAHWSA-N 0 0 298.411 3.753 20 10 CHCDRN O=C(CC1=CCCCC1)NCCCSc1nccs1 ZINC000114376132 1123563444 /nfs/dbraw/zinc/56/34/44/1123563444.db2.gz GFQSOCCKVQDBFE-UHFFFAOYSA-N 0 0 296.461 3.632 20 10 CHCDRN CCOc1ccc(N(C)Cc2cncc(Cl)c2)cc1 ZINC000856726381 1123565728 /nfs/dbraw/zinc/56/57/28/1123565728.db2.gz FGTKXZZFRYUVDU-UHFFFAOYSA-N 0 0 276.767 3.770 20 10 CHCDRN O=[N+]([O-])c1cnc(SC[C@@H]2CC[C@H]3C[C@H]3C2)s1 ZINC000856797844 1123568834 /nfs/dbraw/zinc/56/88/34/1123568834.db2.gz IDHYPXPRATZBMX-HRDYMLBCSA-N 0 0 270.379 3.580 20 10 CHCDRN O=C(NCc1cc(Cl)ccc1O)c1ccccc1Cl ZINC000857547096 1123606762 /nfs/dbraw/zinc/60/67/62/1123606762.db2.gz RCMQLRDLLJEZJJ-UHFFFAOYSA-N 0 0 296.153 3.629 20 10 CHCDRN CCC(F)(F)CN[C@H](C)c1cc(Cl)ccc1O ZINC000858506794 1123658302 /nfs/dbraw/zinc/65/83/02/1123658302.db2.gz JDNASCMZJIJGLI-MRVPVSSYSA-N 0 0 263.715 3.742 20 10 CHCDRN CC[C@H](NCC(F)(F)CC)c1ccc(C)cc1O ZINC000858507552 1123659385 /nfs/dbraw/zinc/65/93/85/1123659385.db2.gz PIENVDIJOAYSEM-LBPRGKRZSA-N 0 0 257.324 3.787 20 10 CHCDRN CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000858584936 1123665602 /nfs/dbraw/zinc/66/56/02/1123665602.db2.gz YKIGWETXJPITFR-CIUDSAMLSA-N 0 0 290.190 3.527 20 10 CHCDRN C/C(=C\C(=O)N(C)Cc1ccccc1O)c1ccc(F)cc1 ZINC000195025884 1129141514 /nfs/dbraw/zinc/14/15/14/1129141514.db2.gz VJCOXZNVGBDMOY-ACCUITESSA-N 0 0 299.345 3.593 20 10 CHCDRN C[C@H](Nc1cncc(Br)c1)c1ccccc1O ZINC000117841553 1123760093 /nfs/dbraw/zinc/76/00/93/1123760093.db2.gz YNIDBTYCWHDSCP-VIFPVBQESA-N 0 0 293.164 3.723 20 10 CHCDRN CCC(CC)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000195646139 1129148011 /nfs/dbraw/zinc/14/80/11/1129148011.db2.gz SXNFDQUXMSAQHE-UHFFFAOYSA-N 0 0 276.424 3.585 20 10 CHCDRN COc1ccc(NCc2c(O)cccc2Cl)cc1F ZINC000148127651 1123799390 /nfs/dbraw/zinc/79/93/90/1123799390.db2.gz NMLNFSARKUDQQU-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN Cc1ccccc1Sc1ncc([N+](=O)[O-])s1 ZINC000195510453 1129146416 /nfs/dbraw/zinc/14/64/16/1129146416.db2.gz KCZCNPCVHPBUOR-UHFFFAOYSA-N 0 0 252.320 3.511 20 10 CHCDRN CC[C@@H]([NH2+]C1CCC(OC)CC1)c1ccc(F)cc1[O-] ZINC000840792792 1123811474 /nfs/dbraw/zinc/81/14/74/1123811474.db2.gz REILIBRNNRSMND-SSDMNJCBSA-N 0 0 281.371 3.530 20 10 CHCDRN COc1cc(C)cc(CNc2ccc3c(c2)C[C@H](C)O3)c1O ZINC000897109727 1123820720 /nfs/dbraw/zinc/82/07/20/1123820720.db2.gz NUUWJOVJZPYJFE-LBPRGKRZSA-N 0 0 299.370 3.645 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)C[C@@H](C)c2ccccc2)c1 ZINC000862761339 1123827244 /nfs/dbraw/zinc/82/72/44/1123827244.db2.gz OFNOZBTUBBBZLX-CQSZACIVSA-N 0 0 283.371 3.511 20 10 CHCDRN CC[C@H]1CC[C@H](C(=O)NCc2cc(C)ccc2O)CC1 ZINC000862757254 1123827358 /nfs/dbraw/zinc/82/73/58/1123827358.db2.gz MZMBPENBDVRWAN-HDJSIYSDSA-N 0 0 275.392 3.533 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)CC2CCC(F)(F)CC2)c1 ZINC000862753031 1123827603 /nfs/dbraw/zinc/82/76/03/1123827603.db2.gz AHECGRWNSAANGR-UHFFFAOYSA-N 0 0 297.345 3.532 20 10 CHCDRN CCCCc1nc(CN(C)c2ccc(N)cc2)cs1 ZINC000863558505 1123875843 /nfs/dbraw/zinc/87/58/43/1123875843.db2.gz LPHHRIZHMVJHEC-UHFFFAOYSA-N 0 0 275.421 3.704 20 10 CHCDRN COc1ccc(NCc2cc(C)c(C)cc2O)c(F)c1 ZINC000864042599 1123913002 /nfs/dbraw/zinc/91/30/02/1123913002.db2.gz VJVIUYPRMFGFBR-UHFFFAOYSA-N 0 0 275.323 3.769 20 10 CHCDRN CCN(Cc1cc2c(cc1O)CCC2)[C@@H](C)C(F)(F)F ZINC000794676463 1123926955 /nfs/dbraw/zinc/92/69/55/1123926955.db2.gz BTWVKGJIPRIPDW-JTQLQIEISA-N 0 0 287.325 3.654 20 10 CHCDRN C[C@@H](Nc1ncnc2sccc21)c1ccc(N(C)C)cc1 ZINC000302426935 1123968541 /nfs/dbraw/zinc/96/85/41/1123968541.db2.gz OYWFKYYHZSEMCQ-LLVKDONJSA-N 0 0 298.415 3.930 20 10 CHCDRN Cc1ccccc1[C@H](C)OC(=O)C1=CC(=O)CS1 ZINC000783607714 1124037688 /nfs/dbraw/zinc/03/76/88/1124037688.db2.gz JXVOMVLQXASMQD-JTQLQIEISA-N 0 0 262.330 3.680 20 10 CHCDRN C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCCO1)c1ccc(F)cc1[O-] ZINC000866491202 1124072426 /nfs/dbraw/zinc/07/24/26/1124072426.db2.gz NKJLSIULAKYXNE-MZPVMMEZSA-N 0 0 293.382 3.530 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[C@@H]1C ZINC000819382619 1131246297 /nfs/dbraw/zinc/24/62/97/1131246297.db2.gz PGOWIMKIXSVCLQ-GOEBONIOSA-N 0 0 289.419 3.957 20 10 CHCDRN CC(C)CC[C@@H](O)CNc1ccccc1OCC(F)F ZINC000819459953 1131251489 /nfs/dbraw/zinc/25/14/89/1131251489.db2.gz BQDXWJLYAUSUHQ-GFCCVEGCSA-N 0 0 287.350 3.540 20 10 CHCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccsc1)c1ccccc1O ZINC000868586308 1124477949 /nfs/dbraw/zinc/47/79/49/1124477949.db2.gz 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CHCDRN COCCOc1cccc(N[C@H](C)c2ccccc2O)c1 ZINC000037777524 1129268732 /nfs/dbraw/zinc/26/87/32/1129268732.db2.gz ADUFXONQEUWIKF-CYBMUJFWSA-N 0 0 287.359 3.591 20 10 CHCDRN COc1cc(C)ccc1NCc1ccc(N(C)C)cc1 ZINC000037783256 1129269451 /nfs/dbraw/zinc/26/94/51/1129269451.db2.gz YEOBRPHXTNIQLI-UHFFFAOYSA-N 0 0 270.376 3.682 20 10 CHCDRN CCC[C@H](C)CC(=O)NCc1ccc(N(C)C)cc1C ZINC000734405568 1129308403 /nfs/dbraw/zinc/30/84/03/1129308403.db2.gz PXWUQTJNHXFGQJ-ZDUSSCGKSA-N 0 0 276.424 3.504 20 10 CHCDRN Cc1cc(C(=O)NC(C)(C)C)c(C)n1-c1cccc(C)c1 ZINC000248110868 1129403609 /nfs/dbraw/zinc/40/36/09/1129403609.db2.gz NKXOTHDPNUHFQN-UHFFFAOYSA-N 0 0 284.403 3.931 20 10 CHCDRN CCOc1ccc(N(C)CCCCCn2cccn2)cc1 ZINC000739923415 1129409498 /nfs/dbraw/zinc/40/94/98/1129409498.db2.gz FYHFYBAPNQODBC-UHFFFAOYSA-N 0 0 287.407 3.589 20 10 CHCDRN CCOc1ccc(N(C)Cc2ccc(F)c(F)c2)cc1 ZINC000739922460 1129409617 /nfs/dbraw/zinc/40/96/17/1129409617.db2.gz LEEHWKYNIICMPE-UHFFFAOYSA-N 0 0 277.314 4.000 20 10 CHCDRN 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C[C@H](NC(=O)[C@H]1CCCC1(C)C)c1ccc(N(C)C)cc1 ZINC000773008596 1131917703 /nfs/dbraw/zinc/91/77/03/1131917703.db2.gz GQJAUIOXGRKTSY-XJKSGUPXSA-N 0 0 288.435 3.756 20 10 CHCDRN Cc1ccccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773017362 1131918757 /nfs/dbraw/zinc/91/87/57/1131918757.db2.gz VQKUIBKXVVPOQO-AWEZNQCLSA-N 0 0 282.387 3.552 20 10 CHCDRN C[C@H](NC(=O)[C@@H]1CC12CCCC2)c1ccc(N(C)C)cc1 ZINC000773019339 1131920414 /nfs/dbraw/zinc/92/04/14/1131920414.db2.gz KUGLLLJWDVEPME-BBRMVZONSA-N 0 0 286.419 3.510 20 10 CHCDRN C[C@@H](NC(=O)[C@H]1CC12CCCC2)c1ccc(N(C)C)cc1 ZINC000773019342 1131920986 /nfs/dbraw/zinc/92/09/86/1131920986.db2.gz KUGLLLJWDVEPME-CZUORRHYSA-N 0 0 286.419 3.510 20 10 CHCDRN Cc1nc(C)c(NCc2cc3ccccc3cc2O)nc1C ZINC001171402518 1131968975 /nfs/dbraw/zinc/96/89/75/1131968975.db2.gz OUCYHUQSABYYLI-UHFFFAOYSA-N 0 0 293.370 3.873 20 10 CHCDRN Cc1ccc(CN(C)Cc2csc(C(C)C)n2)c(O)c1 ZINC001140950845 1131971234 /nfs/dbraw/zinc/97/12/34/1131971234.db2.gz KPXNKLCTHQJXMI-UHFFFAOYSA-N 0 0 290.432 3.913 20 10 CHCDRN Cc1ccc(C[N@H+](Cc2ccccc2)C2CC2)c(O)c1 ZINC001140957482 1131973167 /nfs/dbraw/zinc/97/31/67/1131973167.db2.gz AQLULMURBOCGOI-UHFFFAOYSA-N 0 0 267.372 3.865 20 10 CHCDRN COc1ccc(NCc2cc3ccccc3cc2O)nc1C ZINC001171407914 1131976268 /nfs/dbraw/zinc/97/62/68/1131976268.db2.gz YKPGEULXOKHMBP-UHFFFAOYSA-N 0 0 294.354 3.870 20 10 CHCDRN COc1cccc(CNc2cccc(OC(F)F)c2)c1O ZINC000037006396 1131987819 /nfs/dbraw/zinc/98/78/19/1131987819.db2.gz ZQDCHOWHXXUPQM-UHFFFAOYSA-N 0 0 295.285 3.614 20 10 CHCDRN CC[C@H](C)[C@@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773248142 1132011110 /nfs/dbraw/zinc/01/11/10/1132011110.db2.gz XBTOTVLFBDTTDH-BFHYXJOUSA-N 0 0 291.439 3.547 20 10 CHCDRN C[C@@H](NC(=O)C1=CCCCCC1)c1ccc(N(C)C)cc1 ZINC000773284084 1132019357 /nfs/dbraw/zinc/01/93/57/1132019357.db2.gz QKKWYMOMQVVDFV-CQSZACIVSA-N 0 0 286.419 3.820 20 10 CHCDRN C[C@@H](NC(=O)c1cc(F)cc2ccoc21)c1ccccc1O ZINC001171723049 1132084882 /nfs/dbraw/zinc/08/48/82/1132084882.db2.gz LKGDZKDXKFKBBU-SNVBAGLBSA-N 0 0 299.301 3.769 20 10 CHCDRN O=C1CC(OC2=CC(=O)C=CC2=NNc2ccccc2)C1 ZINC001229816488 1132120367 /nfs/dbraw/zinc/12/03/67/1132120367.db2.gz SQVSDTAXXLQCGF-ISLYRVAYSA-N 0 0 282.299 3.918 20 10 CHCDRN CC[C@@H](NC(=O)N(C)Cc1ccccc1O)C1CCCC1 ZINC000838705515 1132144093 /nfs/dbraw/zinc/14/40/93/1132144093.db2.gz SHWGTIUTWLXJFY-OAHLLOKOSA-N 0 0 290.407 3.502 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C1CCC(C(F)F)CC1 ZINC000839178678 1132188747 /nfs/dbraw/zinc/18/87/47/1132188747.db2.gz ABMBWUDPZNDDDU-UHFFFAOYSA-N 0 0 289.753 3.959 20 10 CHCDRN CCC(C)(C)[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC001230873386 1132222417 /nfs/dbraw/zinc/22/24/17/1132222417.db2.gz PPSVHSVIQYVOKY-VXGBXAGGSA-N 0 0 278.396 3.577 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cc1[O-] ZINC000840820096 1132290845 /nfs/dbraw/zinc/29/08/45/1132290845.db2.gz JVFUHXDKFBVTTN-KJEVXHAQSA-N 0 0 263.356 3.761 20 10 CHCDRN C[C@@H]([NH2+]C1(C2CCC2)CCC1)c1ccc(F)cc1[O-] ZINC000840811148 1132291207 /nfs/dbraw/zinc/29/12/07/1132291207.db2.gz GYZNIRPFKZTAQH-LLVKDONJSA-N 0 0 263.356 3.905 20 10 CHCDRN Cc1ccc(NC(=S)NCc2ccc(C)c(C)n2)c(C)c1 ZINC000840843544 1132293359 /nfs/dbraw/zinc/29/33/59/1132293359.db2.gz HVKIRLAOFFGHSK-UHFFFAOYSA-N 0 0 299.443 3.802 20 10 CHCDRN CC[C@@H](c1ccccc1)[N@H+](C)Cc1ccc(C(=O)[O-])cc1O ZINC001231455287 1132295416 /nfs/dbraw/zinc/29/54/16/1132295416.db2.gz MLFIJKHSUBJGOV-INIZCTEOSA-N 0 0 299.370 3.674 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)[C@](C)(OC)C1CC1)c1ccc(F)cc1[O-] ZINC000840858652 1132295784 /nfs/dbraw/zinc/29/57/84/1132295784.db2.gz FURVOAHOPLMRLP-KCTSRDHCSA-N 0 0 295.398 3.776 20 10 CHCDRN C[C@@H](Nc1cccc([C@@H]2CCC(=O)N2)c1)c1ccccc1O ZINC000840884403 1132303038 /nfs/dbraw/zinc/30/30/38/1132303038.db2.gz MBNBWAYAVASSDP-WBMJQRKESA-N 0 0 296.370 3.516 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CC2(C1)CCCCC2 ZINC001206174439 1132308995 /nfs/dbraw/zinc/30/89/95/1132308995.db2.gz MQSCCQAFYVUDQD-UHFFFAOYSA-N 0 0 283.774 3.951 20 10 CHCDRN COC(=O)[C@@H](C)c1cccc(NCc2cccc(C)c2O)c1 ZINC000840958241 1132313573 /nfs/dbraw/zinc/31/35/73/1132313573.db2.gz PGJNLTDKSIJYKC-ZDUSSCGKSA-N 0 0 299.370 3.589 20 10 CHCDRN CCOc1ccc(NCc2cccc(OC)c2O)c(F)c1 ZINC000840975705 1132317429 /nfs/dbraw/zinc/31/74/29/1132317429.db2.gz KOVDLBAVHLMAKT-UHFFFAOYSA-N 0 0 291.322 3.551 20 10 CHCDRN Cc1cccc(CN2CCCC[C@H]2C(F)(F)F)c1O ZINC001231592358 1132319991 /nfs/dbraw/zinc/31/99/91/1132319991.db2.gz KOJHVIGWUMZCIQ-LBPRGKRZSA-N 0 0 273.298 3.617 20 10 CHCDRN Nc1ccc(N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000841040596 1132323240 /nfs/dbraw/zinc/32/32/40/1132323240.db2.gz PITXLNMQQQVXSG-CABZTGNLSA-N 0 0 258.287 3.802 20 10 CHCDRN CC(C)C1(C)CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841295721 1132342649 /nfs/dbraw/zinc/34/26/49/1132342649.db2.gz DISKBMFYBWDWEE-UHFFFAOYSA-N 0 0 275.396 3.559 20 10 CHCDRN CC1(C)C[C@H](NC(=O)Nc2ccc(N)cc2)c2ccccc21 ZINC000841297560 1132343128 /nfs/dbraw/zinc/34/31/28/1132343128.db2.gz FVLGHMVWTGWPKA-INIZCTEOSA-N 0 0 295.386 3.813 20 10 CHCDRN CC(C)[C@@H]1CCC[C@@H](NC(=O)Nc2ccc(N)cc2)CC1 ZINC000841296575 1132343173 /nfs/dbraw/zinc/34/31/73/1132343173.db2.gz VTUYYFJPOKUTKW-UKRRQHHQSA-N 0 0 289.423 3.995 20 10 CHCDRN CCC[C@@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(N)cc1 ZINC000841298916 1132343609 /nfs/dbraw/zinc/34/36/09/1132343609.db2.gz UJGJRUZFUNBSLR-DOMZBBRYSA-N 0 0 275.396 3.701 20 10 CHCDRN CC[C@@H]1CCCC[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841300379 1132344483 /nfs/dbraw/zinc/34/44/83/1132344483.db2.gz WGJQFBOEAKGCRX-OLZOCXBDSA-N 0 0 275.396 3.607 20 10 CHCDRN COc1cc(N(C)C)ccc1C[N@H+](C)Cc1ccccc1C ZINC001231851772 1132377636 /nfs/dbraw/zinc/37/76/36/1132377636.db2.gz HPHNFYWXIYGDSF-UHFFFAOYSA-N 0 0 298.430 3.702 20 10 CHCDRN Cc1cc(O)c(CN2CCCC(F)(F)C2)cc1Cl ZINC001231868537 1132383662 /nfs/dbraw/zinc/38/36/62/1132383662.db2.gz HKFRUMWVLHBISU-UHFFFAOYSA-N 0 0 275.726 3.585 20 10 CHCDRN CC(C)COCCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841744114 1132386945 /nfs/dbraw/zinc/38/69/45/1132386945.db2.gz LZPXLXCJZPPKAJ-LBPRGKRZSA-N 0 0 285.815 3.759 20 10 CHCDRN Cc1cccc(CC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])n1 ZINC000841750803 1132388805 /nfs/dbraw/zinc/38/88/05/1132388805.db2.gz BPQYPYXEBILQQK-GFCCVEGCSA-N 0 0 290.794 3.642 20 10 CHCDRN CCSCCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841750784 1132389244 /nfs/dbraw/zinc/38/92/44/1132389244.db2.gz BEDKSSQVCXHOKY-SNVBAGLBSA-N 0 0 273.829 3.839 20 10 CHCDRN C[C@@H](Nc1ccc(CCO)cc1)c1ccc(Cl)cc1O ZINC000841750325 1132389280 /nfs/dbraw/zinc/38/92/80/1132389280.db2.gz OPJANKHICKGQBA-LLVKDONJSA-N 0 0 291.778 3.754 20 10 CHCDRN CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841747821 1132389368 /nfs/dbraw/zinc/38/93/68/1132389368.db2.gz DVJGUFRBVBXVGN-UEKVPHQBSA-N 0 0 283.799 3.511 20 10 CHCDRN CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841754088 1132391566 /nfs/dbraw/zinc/39/15/66/1132391566.db2.gz HRVGPWAZKKWCBC-OLZOCXBDSA-N 0 0 299.842 3.741 20 10 CHCDRN C[C@H](N[C@@H]1CCCC1(F)F)c1ccc(Cl)cc1O ZINC000841753074 1132391615 /nfs/dbraw/zinc/39/16/15/1132391615.db2.gz DVDMNYDFUWOUHU-QPUJVOFHSA-N 0 0 275.726 3.884 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(Cl)cc1[O-] ZINC000841755378 1132391678 /nfs/dbraw/zinc/39/16/78/1132391678.db2.gz ZHQDWHTZEGGNRM-JQWIXIFHSA-N 0 0 285.840 3.982 20 10 CHCDRN CSC(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841754061 1132393020 /nfs/dbraw/zinc/39/30/20/1132393020.db2.gz HLRWTXFRZNGWSQ-VIFPVBQESA-N 0 0 273.829 3.838 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001231911825 1132398663 /nfs/dbraw/zinc/39/86/63/1132398663.db2.gz OCRIJFDRJXIQNR-SNVBAGLBSA-N 0 0 275.726 3.523 20 10 CHCDRN C[N@H+](Cc1cccc(Cl)c1[O-])Cc1cccc(F)c1F ZINC001231914590 1132399070 /nfs/dbraw/zinc/39/90/70/1132399070.db2.gz POQCWPOKPBJBRI-UHFFFAOYSA-N 0 0 297.732 3.956 20 10 CHCDRN CCC(CC)[N@H+](CC)Cc1cc(Cl)c(O)cc1O ZINC001232262866 1132444105 /nfs/dbraw/zinc/44/41/05/1132444105.db2.gz UGNUEXRNRWYJOV-UHFFFAOYSA-N 0 0 271.788 3.762 20 10 CHCDRN Oc1cccc2c1CN(Cc1csc(Cl)c1)CC2 ZINC001142775362 1132445981 /nfs/dbraw/zinc/44/59/81/1132445981.db2.gz BJEFRPSJJJBGHO-UHFFFAOYSA-N 0 0 279.792 3.665 20 10 CHCDRN CC[N@H+](Cc1ccc(SC)nc1)Cc1ccccc1O ZINC001232333654 1132456695 /nfs/dbraw/zinc/45/66/95/1132456695.db2.gz XFWIMWQJDHMLNE-UHFFFAOYSA-N 0 0 288.416 3.531 20 10 CHCDRN Cc1c(NCc2cc(C)c(C)cc2O)n[nH]c1C(C)C ZINC000842748980 1132457716 /nfs/dbraw/zinc/45/77/16/1132457716.db2.gz JWIUQTUFKOQJID-UHFFFAOYSA-N 0 0 273.380 3.776 20 10 CHCDRN COCC1(CC[NH2+][C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000842890674 1132473907 /nfs/dbraw/zinc/47/39/07/1132473907.db2.gz JLDFUNOWIYVDRV-LLVKDONJSA-N 0 0 283.799 3.513 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000842930200 1132477988 /nfs/dbraw/zinc/47/79/88/1132477988.db2.gz XPXKJFNZKMCNHL-VGMNWLOBSA-N 0 0 290.190 3.527 20 10 CHCDRN Cc1nocc1Nc1ccccc1Cc1ccc(N)cc1 ZINC001212723868 1132480269 /nfs/dbraw/zinc/48/02/69/1132480269.db2.gz MBPGSOCEEZJJGY-UHFFFAOYSA-N 0 0 279.343 3.900 20 10 CHCDRN C[C@H]1CCCC[C@H]1c1nc(Cc2ccc(N)cc2)no1 ZINC000843159779 1132499498 /nfs/dbraw/zinc/49/94/98/1132499498.db2.gz AROKIOQAUIXCQV-SMDDNHRTSA-N 0 0 271.364 3.536 20 10 CHCDRN CCS[C@H](c1nc(Cc2ccc(N)cc2)no1)C(C)C ZINC000843158236 1132499894 /nfs/dbraw/zinc/49/98/94/1132499894.db2.gz AFVGWGQGYGOFGE-AWEZNQCLSA-N 0 0 291.420 3.693 20 10 CHCDRN Nc1ccc(Cc2noc(/C=C\C3CCCCC3)n2)cc1 ZINC000843158461 1132500190 /nfs/dbraw/zinc/50/01/90/1132500190.db2.gz CYOPFIVUIDJPTC-FLIBITNWSA-N 0 0 283.375 3.836 20 10 CHCDRN CC(C)[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)CCO1 ZINC001143112626 1132505037 /nfs/dbraw/zinc/50/50/37/1132505037.db2.gz XTGZNLMUEIKJBL-INIZCTEOSA-N 0 0 291.435 3.547 20 10 CHCDRN CC[N@H+](Cc1cc(C)cc(OC)c1)Cc1ccccc1O ZINC001143159478 1132509587 /nfs/dbraw/zinc/50/95/87/1132509587.db2.gz DNROSZCCSQKMKA-UHFFFAOYSA-N 0 0 285.387 3.731 20 10 CHCDRN O=C(C[C@H]1CC=CCC1)NCc1c(O)ccc2c1CCCC2 ZINC001150388454 1132554294 /nfs/dbraw/zinc/55/42/94/1132554294.db2.gz YLLSPQSFUYAAQJ-AWEZNQCLSA-N 0 0 299.414 3.634 20 10 CHCDRN C[N@H+](Cc1ccc(Cl)cc1)Cc1ccc(F)c(F)c1[O-] ZINC001233077708 1132570651 /nfs/dbraw/zinc/57/06/51/1132570651.db2.gz XDUOZRAXFCNFBB-UHFFFAOYSA-N 0 0 297.732 3.956 20 10 CHCDRN C[C@H](NC(=O)C1C[C@@H](C)C[C@H](C)C1)c1ccccc1O ZINC001151892034 1132574999 /nfs/dbraw/zinc/57/49/99/1132574999.db2.gz GCQJXVZGAFTDCO-AVGNSLFASA-N 0 0 275.392 3.642 20 10 CHCDRN CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC001151900670 1132575759 /nfs/dbraw/zinc/57/57/59/1132575759.db2.gz VPWITDKOSRTDIM-GZBFAFLISA-N 0 0 275.392 3.786 20 10 CHCDRN CCc1ccc(F)cc1C(=O)N[C@@H](C)c1ccccc1O ZINC001151899511 1132576130 /nfs/dbraw/zinc/57/61/30/1132576130.db2.gz DDRUALFGKLTFRG-NSHDSACASA-N 0 0 287.334 3.585 20 10 CHCDRN CN(Cc1ccc(F)cc1F)Cc1c(O)ccc(F)c1F ZINC001233336103 1132602885 /nfs/dbraw/zinc/60/28/85/1132602885.db2.gz YPTHIGXMGUHRCM-UHFFFAOYSA-N 0 0 299.267 3.581 20 10 CHCDRN CCCCC[C@H](C(=O)NCc1cc(O)ccc1O)C(C)C ZINC001153885897 1132602952 /nfs/dbraw/zinc/60/29/52/1132602952.db2.gz RNGLXTGVIXULBS-HNNXBMFYSA-N 0 0 293.407 3.567 20 10 CHCDRN C[N@H+](Cc1cccc(Cl)c1)Cc1c([O-])ccc(F)c1F ZINC001233334613 1132603575 /nfs/dbraw/zinc/60/35/75/1132603575.db2.gz NPTYUICARVVOMW-UHFFFAOYSA-N 0 0 297.732 3.956 20 10 CHCDRN C[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233416107 1132619453 /nfs/dbraw/zinc/61/94/53/1132619453.db2.gz WKFMTLCOVRXFJB-SNVBAGLBSA-N 0 0 273.298 3.643 20 10 CHCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H]1CC[C@@H](C)C1 ZINC001233497545 1132628795 /nfs/dbraw/zinc/62/87/95/1132628795.db2.gz ONDOXNWJTHWPBY-MNOVXSKESA-N 0 0 278.348 3.648 20 10 CHCDRN CCN(Cc1ccccc1O)c1nc(C)nc2ccsc21 ZINC001154881546 1132629295 /nfs/dbraw/zinc/62/92/95/1132629295.db2.gz JWEQGFABQNYXPM-UHFFFAOYSA-N 0 0 299.399 3.732 20 10 CHCDRN CCN1CCc2cc(O[C@@H](C)c3ccccn3)ccc21 ZINC001233600821 1132646527 /nfs/dbraw/zinc/64/65/27/1132646527.db2.gz BRMNLWDDVLLLCT-ZDUSSCGKSA-N 0 0 268.360 3.604 20 10 CHCDRN CCN1CCc2cc(O[C@H](C)c3ccncc3F)ccc21 ZINC001233601593 1132646622 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522702513 /nfs/dbraw/zinc/70/25/13/522702513.db2.gz WIJSDAOCEOADTM-ZDUSSCGKSA-N 0 0 273.380 3.560 20 10 CHCDRN CC[C@@H](Nc1cnn(CC)c1)c1cccc(Cl)c1O ZINC000287733610 522966014 /nfs/dbraw/zinc/96/60/14/522966014.db2.gz PHQATGLDZXGXCE-CYBMUJFWSA-N 0 0 279.771 3.825 20 10 CHCDRN CCc1cccc(C)c1NC(=O)CSc1nccs1 ZINC000047239086 524063659 /nfs/dbraw/zinc/06/36/59/524063659.db2.gz OHONNJNMIVTHKC-UHFFFAOYSA-N 0 0 292.429 3.745 20 10 CHCDRN COc1cccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000062747712 524157141 /nfs/dbraw/zinc/15/71/41/524157141.db2.gz BPUPEQRGQUJLDO-NWDGAFQWSA-N 0 0 289.350 3.952 20 10 CHCDRN C[C@H](C[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1nccs1 ZINC000187916403 524495081 /nfs/dbraw/zinc/49/50/81/524495081.db2.gz QOQXQQIJRLTWIU-BDAKNGLRSA-N 0 0 298.358 3.581 20 10 CHCDRN Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])s1 ZINC000062748406 524605898 /nfs/dbraw/zinc/60/58/98/524605898.db2.gz AIKRVMPLVXGLTE-SNVBAGLBSA-N 0 0 265.353 3.752 20 10 CHCDRN COc1ccc(NCc2cc(C)ccc2O)c(C)c1 ZINC000071409293 524678397 /nfs/dbraw/zinc/67/83/97/524678397.db2.gz QUWPWPNJDMWFHL-UHFFFAOYSA-N 0 0 257.333 3.630 20 10 CHCDRN C[C@H]([NH2+]C(C1CC1)C1CC1)c1ccc(F)c(F)c1[O-] ZINC000187668219 525277246 /nfs/dbraw/zinc/27/72/46/525277246.db2.gz YKJDCVMCBASEMO-QMMMGPOBSA-N 0 0 267.319 3.510 20 10 CHCDRN C[C@@H](Nc1ccc2c(c1)CCO2)c1ccccc1O ZINC000037103908 525712880 /nfs/dbraw/zinc/71/28/80/525712880.db2.gz LUSHXJJXWCAXTQ-LLVKDONJSA-N 0 0 255.317 3.500 20 10 CHCDRN C[C@H](O)CCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000278924389 525713735 /nfs/dbraw/zinc/71/37/35/525713735.db2.gz WWTYFEIBTWCWDG-IUCAKERBSA-N 0 0 292.206 3.511 20 10 CHCDRN C[C@@H](Sc1nccs1)C(=O)NCCC1=CCCCC1 ZINC000299047366 526007274 /nfs/dbraw/zinc/00/72/74/526007274.db2.gz OSZINKHZSYATCI-LLVKDONJSA-N 0 0 296.461 3.630 20 10 CHCDRN Cc1nn(C)c2cc(NCc3ccc(N(C)C)cc3)ccc12 ZINC000291346969 527681821 /nfs/dbraw/zinc/68/18/21/527681821.db2.gz WRTQJUIEEKBKOH-UHFFFAOYSA-N 0 0 294.402 3.560 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)NC1CCCCC1 ZINC000729631522 1125465619 /nfs/dbraw/zinc/46/56/19/1125465619.db2.gz PCVAPGLKGOZKRJ-UHFFFAOYSA-N 0 0 290.407 3.647 20 10 CHCDRN CCC(CC)(C[NH2+][C@@H](C)c1cc(Cl)ccc1O)C(=O)[O-] ZINC001595078053 979359586 /nfs/dbraw/zinc/35/95/86/979359586.db2.gz XLVPEULLAGZAOE-JTQLQIEISA-N 0 0 299.798 3.587 20 10 CHCDRN C[N@H+](CCC1CCCCC1)Cc1cccc(F)c1[O-] ZINC001180093730 1121940737 /nfs/dbraw/zinc/94/07/37/1121940737.db2.gz VRBXXZGPPHCGGY-UHFFFAOYSA-N 0 0 265.372 3.934 20 10 CHCDRN C[C@@H]([NH2+][C@H]1C=CCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000850510698 1123277967 /nfs/dbraw/zinc/27/79/67/1123277967.db2.gz WNLRUCNEZAEXAC-ZJUUUORDSA-N 0 0 271.282 3.780 20 10 CHCDRN CO[C@H](CSc1nccs1)c1ccc(F)cc1 ZINC000863295100 1123859489 /nfs/dbraw/zinc/85/94/89/1123859489.db2.gz LETKXMZXIHWFAW-LLVKDONJSA-N 0 0 269.366 3.762 20 10 CHCDRN C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CCCC1 ZINC000124826927 1124819940 /nfs/dbraw/zinc/81/99/40/1124819940.db2.gz KWTAKEAVHAMMQN-JTQLQIEISA-N 0 0 253.773 3.714 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000689884737 1125286680 /nfs/dbraw/zinc/28/66/80/1125286680.db2.gz XKOFMCBAQMZGLU-LLVKDONJSA-N 0 0 271.763 3.617 20 10 CHCDRN CC(C(=O)NCc1cc(Cl)ccc1O)=C1CCCC1 ZINC000846477302 1131710906 /nfs/dbraw/zinc/71/09/06/1131710906.db2.gz RXHSPMUDJRUCCJ-UHFFFAOYSA-N 0 0 279.767 3.552 20 10 CHCDRN COc1ccc(N(C)CC2CCC(F)(F)CC2)cc1 ZINC001171745931 1132085349 /nfs/dbraw/zinc/08/53/49/1132085349.db2.gz IYVAAMIDKGRBFU-UHFFFAOYSA-N 0 0 269.335 3.957 20 10 CHCDRN CCC(O)(CC)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841752873 1132392381 /nfs/dbraw/zinc/39/23/81/1132392381.db2.gz QQTPMLFMXOHIRF-NSHDSACASA-N 0 0 285.815 3.637 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001231910351 1132400382 /nfs/dbraw/zinc/40/03/82/1132400382.db2.gz MFQYDVVOHNJTLD-PHIMTYICSA-N 0 0 287.737 3.523 20 10 CHCDRN C[C@@H]([NH2+]CC1CCC(F)CC1)c1cc(F)cc(F)c1[O-] ZINC000842927721 1132476348 /nfs/dbraw/zinc/47/63/48/1132476348.db2.gz GAFTUGQJNCSJEF-KPPDAEKUSA-N 0 0 287.325 3.849 20 10 CHCDRN C[C@H]1CCCC[N@@H+]1Cc1cccc(C(F)(F)F)c1[O-] ZINC001233415908 1132617612 /nfs/dbraw/zinc/61/76/12/1132617612.db2.gz NXGVJULQIXYLRM-JTQLQIEISA-N 0 0 273.298 3.785 20 10 CHCDRN CC[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])N1CCCC1 ZINC000841746194 1125569608 /nfs/dbraw/zinc/56/96/08/1125569608.db2.gz WFZMOZYWQBVEDD-GXTWGEPZSA-N 0 0 296.842 3.571 20 10 CHCDRN C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1ccc(Cl)cc1[O-] ZINC000841756641 1125592161 /nfs/dbraw/zinc/59/21/61/1125592161.db2.gz ZIPQPPXILXGHDY-UVBJJODRSA-N 0 0 297.826 3.637 20 10 CHCDRN OCCCc1cccc(NCc2cc(Cl)ccc2O)c1 ZINC000136222602 1125623296 /nfs/dbraw/zinc/62/32/96/1125623296.db2.gz VHBMAYAYPDUPLM-UHFFFAOYSA-N 0 0 291.778 3.583 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1c([O-])cccc1F ZINC000886489432 1125680647 /nfs/dbraw/zinc/68/06/47/1125680647.db2.gz IPICTNKGCNBYFF-NWDGAFQWSA-N 0 0 259.324 3.943 20 10 CHCDRN Cc1noc(C)c1[C@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886526544 1125684569 /nfs/dbraw/zinc/68/45/69/1125684569.db2.gz NQMPQDODLARULH-IUCAKERBSA-N 0 0 278.327 3.548 20 10 CHCDRN C[C@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1c([O-])cccc1F ZINC000886557255 1125689873 /nfs/dbraw/zinc/68/98/73/1125689873.db2.gz XAJDPAQIHMDLAY-APPDUMDISA-N 0 0 286.350 3.728 20 10 CHCDRN COc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)c(F)c1 ZINC000886552065 1125689921 /nfs/dbraw/zinc/68/99/21/1125689921.db2.gz TUSIEWSVMNWBND-SNVBAGLBSA-N 0 0 293.313 3.530 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1)c1c([O-])cccc1F ZINC000886558706 1125690343 /nfs/dbraw/zinc/69/03/43/1125690343.db2.gz QFOTUYYSMUSEEW-ZOWXZIJZSA-N 0 0 295.398 3.776 20 10 CHCDRN Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)CO2 ZINC000886551850 1125690472 /nfs/dbraw/zinc/69/04/72/1125690472.db2.gz PNKAGUCEVNUQQB-FZMZJTMJSA-N 0 0 287.334 3.624 20 10 CHCDRN C[C@@H](NCc1nc(C2CC2)cs1)c1c(O)cccc1F ZINC000886551310 1125690679 /nfs/dbraw/zinc/69/06/79/1125690679.db2.gz GBUXJZAGZZBGNN-SECBINFHSA-N 0 0 292.379 3.716 20 10 CHCDRN C[C@@H](Nc1cnn([C@@H](C)C2CC2)c1)c1c(O)cccc1F ZINC000886594200 1125694966 /nfs/dbraw/zinc/69/49/66/1125694966.db2.gz HRQQSXLDROIQGK-MNOVXSKESA-N 0 0 289.354 3.872 20 10 CHCDRN CC(C)[C@H]1C[C@@H](C[NH2+][C@@H](C)c2c([O-])cccc2F)CCO1 ZINC000886618945 1125699090 /nfs/dbraw/zinc/69/90/90/1125699090.db2.gz PDOVTXGDVSGKJN-HEHGZKQESA-N 0 0 295.398 3.633 20 10 CHCDRN C[C@H]([NH2+]C[C@]1(C)CC1(Cl)Cl)c1c([O-])cccc1F ZINC000886619164 1125699459 /nfs/dbraw/zinc/69/94/59/1125699459.db2.gz VGXNAVZDGBQMTC-UFBFGSQYSA-N 0 0 292.181 3.766 20 10 CHCDRN COCc1csc(C[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886637691 1125700792 /nfs/dbraw/zinc/70/07/92/1125700792.db2.gz CJDIZYUEIWTQEG-SNVBAGLBSA-N 0 0 295.379 3.590 20 10 CHCDRN CSCC1(CC[NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886636201 1125701082 /nfs/dbraw/zinc/70/10/82/1125701082.db2.gz HQIUSLSIFYOSHD-NSHDSACASA-N 0 0 283.412 3.715 20 10 CHCDRN CCN(Cc1ccccc1O)c1cc(SC)ccn1 ZINC001154890864 1129369774 /nfs/dbraw/zinc/36/97/74/1129369774.db2.gz SNKLDXJONBNULC-UHFFFAOYSA-N 0 0 274.389 3.536 20 10 CHCDRN Cc1cc(C)c(C(=O)N[C@@H](C)c2ccccc2O)c(C)c1 ZINC000827973003 1126712869 /nfs/dbraw/zinc/71/28/69/1126712869.db2.gz GCPHROXASBESQJ-AWEZNQCLSA-N 0 0 283.371 3.808 20 10 CHCDRN COc1cc(NCc2cc(Cl)ccc2O)ccc1F ZINC000160023645 1126762591 /nfs/dbraw/zinc/76/25/91/1126762591.db2.gz MZHNDLQWOBSSPI-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN Cc1cc(Cl)ccc1NCc1cc2c(cc1O)OCO2 ZINC000042879379 1126836980 /nfs/dbraw/zinc/83/69/80/1126836980.db2.gz FZAXLIQLQQTTRG-UHFFFAOYSA-N 0 0 291.734 3.695 20 10 CHCDRN CC(C)(C)OC(=O)CCCCSc1nccs1 ZINC000182005582 1126864638 /nfs/dbraw/zinc/86/46/38/1126864638.db2.gz SZOVEAJBDIMIOM-UHFFFAOYSA-N 0 0 273.423 3.747 20 10 CHCDRN CCN(C)c1ccc([C@H](C)Nc2cnn(CC)c2)cc1 ZINC000183373309 1126885637 /nfs/dbraw/zinc/88/56/37/1126885637.db2.gz RMLDJMHQUMJZAM-ZDUSSCGKSA-N 0 0 272.396 3.532 20 10 CHCDRN Cc1cc(Cl)cc(CNc2cnn(C(C)C)c2)c1O ZINC000777465930 1126942794 /nfs/dbraw/zinc/94/27/94/1126942794.db2.gz XKSNKHSJIKFWPG-UHFFFAOYSA-N 0 0 279.771 3.744 20 10 CHCDRN CC(C)n1cc(NCc2cc(Cl)cc(F)c2O)cn1 ZINC000777465399 1126944692 /nfs/dbraw/zinc/94/46/92/1126944692.db2.gz LSLJGXXBVVNJPF-UHFFFAOYSA-N 0 0 283.734 3.574 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2ccccn2)cc1 ZINC000191578777 1126953487 /nfs/dbraw/zinc/95/34/87/1126953487.db2.gz SIZVGPKSOJVJQY-UHFFFAOYSA-N 0 0 256.349 3.505 20 10 CHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C=C1CCC1 ZINC000267957882 1127008855 /nfs/dbraw/zinc/00/88/55/1127008855.db2.gz OUUFPYJGGHTKKN-UHFFFAOYSA-N 0 0 286.419 3.600 20 10 CHCDRN CCN(Cc1ncc(C)s1)Cc1ccc(N(C)C)cc1 ZINC000271555366 1127091793 /nfs/dbraw/zinc/09/17/93/1127091793.db2.gz RITBXXZCQGVSDP-UHFFFAOYSA-N 0 0 289.448 3.540 20 10 CHCDRN CCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)C1CC1 ZINC000912769554 1127111969 /nfs/dbraw/zinc/11/19/69/1127111969.db2.gz YIKMSCBYBRLJCN-UHFFFAOYSA-N 0 0 282.387 3.719 20 10 CHCDRN CC[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1OC(F)(F)F ZINC001237116206 1131052999 /nfs/dbraw/zinc/05/29/99/1131052999.db2.gz YPEYPMFKKIEBJT-SNVBAGLBSA-N 0 0 289.297 3.665 20 10 CHCDRN CCCC(CCC)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000156440840 1127156040 /nfs/dbraw/zinc/15/60/40/1127156040.db2.gz CVMBUGUSMLBJQN-LBPRGKRZSA-N 0 0 293.407 3.794 20 10 CHCDRN COc1cc(Br)cc(Nc2ccc(N)cc2)c1 ZINC000168839561 1131093142 /nfs/dbraw/zinc/09/31/42/1131093142.db2.gz VWMLJOLIIJECJO-UHFFFAOYSA-N 0 0 293.164 3.784 20 10 CHCDRN Cc1cc(Cl)cc(CN2CCCCC(F)(F)C2)c1O ZINC001237682056 1131126316 /nfs/dbraw/zinc/12/63/16/1131126316.db2.gz WARHTKFHUMNTQP-UHFFFAOYSA-N 0 0 289.753 3.975 20 10 CHCDRN Cc1cc(NCc2cccc(Cl)c2O)ccc1[N+](=O)[O-] ZINC000165035144 1127209797 /nfs/dbraw/zinc/20/97/97/1127209797.db2.gz FRVRJCIAJVYCJF-UHFFFAOYSA-N 0 0 292.722 3.874 20 10 CHCDRN Oc1c(Cl)cc(Cl)cc1Nc1ccncc1Cl ZINC001212155416 1127211198 /nfs/dbraw/zinc/21/11/98/1127211198.db2.gz NZGUGHDWURUFSU-UHFFFAOYSA-N 0 0 289.549 3.913 20 10 CHCDRN Oc1cc(C(F)(F)F)ccc1Nc1ccncc1Cl ZINC001212157606 1127221516 /nfs/dbraw/zinc/22/15/16/1127221516.db2.gz UTWUWMHOKQYILK-UHFFFAOYSA-N 0 0 288.656 3.625 20 10 CHCDRN COc1ccc(CN[C@H](C)c2c(F)cncc2F)cc1C ZINC000285520405 1127235096 /nfs/dbraw/zinc/23/50/96/1127235096.db2.gz OXSGPRZYVGMREO-LLVKDONJSA-N 0 0 292.329 3.528 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ccccc1F)c1ccc(F)cc1[O-] ZINC000285630606 1127240158 /nfs/dbraw/zinc/24/01/58/1127240158.db2.gz LGIFGFNBZNEOPQ-OAHLLOKOSA-N 0 0 277.314 3.911 20 10 CHCDRN Oc1cc(Cl)c(F)cc1CN1CCCCC(F)(F)C1 ZINC001237935077 1131154146 /nfs/dbraw/zinc/15/41/46/1131154146.db2.gz PZQAVZKNJPZEIF-UHFFFAOYSA-N 0 0 293.716 3.806 20 10 CHCDRN CC[C@H]([NH2+]Cc1cccs1)c1ccc(F)cc1[O-] ZINC000285732736 1127241399 /nfs/dbraw/zinc/24/13/99/1127241399.db2.gz QRLHCUNCRZSTRP-ZDUSSCGKSA-N 0 0 265.353 3.834 20 10 CHCDRN C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(F)c(Cl)cc1[O-] ZINC001237947509 1131155060 /nfs/dbraw/zinc/15/50/60/1131155060.db2.gz QIUVRLSLORTTJW-AOOOYVTPSA-N 0 0 271.763 3.948 20 10 CHCDRN CC[C@@H]([NH2+]CCC[C@@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000285899790 1127246400 /nfs/dbraw/zinc/24/64/00/1127246400.db2.gz BHCVFBZYYQBWLO-GOEBONIOSA-N 0 0 295.398 3.921 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCO[C@H](C(C)C)C1)c1ccc(F)cc1[O-] ZINC000286160211 1127260988 /nfs/dbraw/zinc/26/09/88/1127260988.db2.gz PWBHGADTXDQOIC-QRTARXTBSA-N 0 0 295.398 3.776 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cccc(Cl)c1[O-] ZINC000287153801 1127293035 /nfs/dbraw/zinc/29/30/35/1127293035.db2.gz SVFNEJUQVGEOQO-BPNCWPANSA-N 0 0 283.799 3.511 20 10 CHCDRN Cc1ccc(O)c([C@@H](C)N[C@H](C2CC2)C(F)(F)F)c1 ZINC000287260335 1127298673 /nfs/dbraw/zinc/29/86/73/1127298673.db2.gz ILWMZQJLXICQSW-NOZJJQNGSA-N 0 0 273.298 3.692 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)CCOC)c1cccc(Cl)c1[O-] ZINC000287637097 1127311256 /nfs/dbraw/zinc/31/12/56/1127311256.db2.gz KSKKSZQSWLOBGH-GXFFZTMASA-N 0 0 271.788 3.511 20 10 CHCDRN CCC[C@@](C)(O)C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287904104 1127315466 /nfs/dbraw/zinc/31/54/66/1127315466.db2.gz ZTSWCYFAWWRVDR-DZGCQCFKSA-N 0 0 285.815 3.637 20 10 CHCDRN CC(=O)Nc1ccc(NCc2cccc(Cl)c2O)cc1 ZINC000158051455 1127415171 /nfs/dbraw/zinc/41/51/71/1127415171.db2.gz XZHOMYUNUWFHTL-UHFFFAOYSA-N 0 0 290.750 3.616 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@H](O)CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000293682285 1127512897 /nfs/dbraw/zinc/51/28/97/1127512897.db2.gz NHBPTYZECIBVAH-JOYOIKCWSA-N 0 0 292.206 3.511 20 10 CHCDRN CC[C@H]([NH2+]CCC1(COC)CCC1)c1ccc(F)cc1[O-] ZINC000293759311 1127518003 /nfs/dbraw/zinc/51/80/03/1127518003.db2.gz RDMVUTDLHKYTFJ-HNNXBMFYSA-N 0 0 295.398 3.779 20 10 CHCDRN COc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CC=CCC2)c1O ZINC000761217409 1127536395 /nfs/dbraw/zinc/53/63/95/1127536395.db2.gz UZSPJCGJQCGIKY-GFCCVEGCSA-N 0 0 295.810 3.842 20 10 CHCDRN Cc1cccc(CNc2ccccc2OCCF)c1O ZINC000295091578 1127619855 /nfs/dbraw/zinc/61/98/55/1127619855.db2.gz JJQVXYVPZXZIEP-UHFFFAOYSA-N 0 0 275.323 3.661 20 10 CHCDRN C[C@@H](CCCc1ccccc1)C(=O)NCc1ccc(N)cc1 ZINC000297236057 1127691553 /nfs/dbraw/zinc/69/15/53/1127691553.db2.gz PJVMCCLXNFORPY-HNNXBMFYSA-N 0 0 296.414 3.544 20 10 CHCDRN CC(C)N(Cc1cscn1)Cc1ccc(N(C)C)cc1 ZINC000298720522 1127730454 /nfs/dbraw/zinc/73/04/54/1127730454.db2.gz ODJVYSNILZDAIV-UHFFFAOYSA-N 0 0 289.448 3.620 20 10 CHCDRN [O-]c1c(F)cccc1C[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001138128692 1127772364 /nfs/dbraw/zinc/77/23/64/1127772364.db2.gz UXJOQXUEOOMVTH-ZDUSSCGKSA-N 0 0 281.346 3.636 20 10 CHCDRN Cc1cccc(OCC[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000062748308 1127773670 /nfs/dbraw/zinc/77/36/70/1127773670.db2.gz FHDIAQJZTZVARO-CYBMUJFWSA-N 0 0 289.350 3.569 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000062748437 1127773878 /nfs/dbraw/zinc/77/38/78/1127773878.db2.gz DVPLQYDGDYCSFP-BLLLJJGKSA-N 0 0 285.362 3.739 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000373231442 1127830267 /nfs/dbraw/zinc/83/02/67/1127830267.db2.gz XUGPZOVXDRZHCO-NSHDSACASA-N 0 0 277.751 3.628 20 10 CHCDRN CCCCC[C@H](C)CC(=O)NCc1cc(OC)ccc1O ZINC000173579285 1127840647 /nfs/dbraw/zinc/84/06/47/1127840647.db2.gz USAWQTSRMGDSNP-ZDUSSCGKSA-N 0 0 293.407 3.624 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H](C)C1CC1 ZINC000063683483 1127858549 /nfs/dbraw/zinc/85/85/49/1127858549.db2.gz NJVNDHMKFONLHG-CQSZACIVSA-N 0 0 288.435 3.537 20 10 CHCDRN C[C@@H](NC1(C(F)F)CC1)c1cc2c(cc1O)CCCC2 ZINC000800502854 1127902659 /nfs/dbraw/zinc/90/26/59/1127902659.db2.gz YEFLUAIDWHYHDC-SNVBAGLBSA-N 0 0 281.346 3.719 20 10 CHCDRN CCN1CCc2cc(O[C@H](C)c3ccco3)ccc21 ZINC001233602484 1127998732 /nfs/dbraw/zinc/99/87/32/1127998732.db2.gz VRUHDCMFGBBWDG-GFCCVEGCSA-N 0 0 257.333 3.802 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(CF)cc2)cc1OC ZINC000777562360 1128129845 /nfs/dbraw/zinc/12/98/45/1128129845.db2.gz CKYVZAWJXSFPNA-UHFFFAOYSA-N 0 0 289.350 3.810 20 10 CHCDRN Nc1ccc(NC(=O)N(CCc2ccccc2)C2CC2)cc1 ZINC000926140580 1128156679 /nfs/dbraw/zinc/15/66/79/1128156679.db2.gz BJAKINNIBGEWND-UHFFFAOYSA-N 0 0 295.386 3.508 20 10 CHCDRN CC(C)CC[C@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000761603496 1128164613 /nfs/dbraw/zinc/16/46/13/1128164613.db2.gz UUWAIQSPBZVALU-GFCCVEGCSA-N 0 0 281.421 3.885 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)CC(C)C)cc1 ZINC000914500857 1128198761 /nfs/dbraw/zinc/19/87/61/1128198761.db2.gz VFWNFJATTZKQQM-UHFFFAOYSA-N 0 0 284.403 3.822 20 10 CHCDRN CN(C)c1ccc(CN(C(=O)c2ccccc2)C2CC2)cc1 ZINC000914436926 1128188032 /nfs/dbraw/zinc/18/80/32/1128188032.db2.gz DSSMTNOSHVFBEZ-UHFFFAOYSA-N 0 0 294.398 3.557 20 10 CHCDRN C[C@@H]1CCC[C@H]([N@H+](C)Cc2c(O)ccc3ccncc32)C1 ZINC000914785246 1128244375 /nfs/dbraw/zinc/24/43/75/1128244375.db2.gz VPPCSRGCGZZAQF-HIFRSBDPSA-N 0 0 284.403 3.951 20 10 CHCDRN CCC(CC)[C@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000761974284 1128257831 /nfs/dbraw/zinc/25/78/31/1128257831.db2.gz VWLZJDQESVUNBY-NWDGAFQWSA-N 0 0 293.407 3.650 20 10 CHCDRN O=C([C@@H](Sc1nccs1)c1ccccc1)C1CC1 ZINC000842548234 1128269290 /nfs/dbraw/zinc/26/92/90/1128269290.db2.gz MLSHANDAXSXWRW-ZDUSSCGKSA-N 0 0 275.398 3.956 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CCCC2(CCC2)O1)c1c([O-])cccc1F ZINC000927010245 1128207468 /nfs/dbraw/zinc/20/74/68/1128207468.db2.gz JKJQCJZRXQHVPG-CHWSQXEVSA-N 0 0 293.382 3.674 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1ccc(F)cc1[O-] ZINC000927064479 1128214458 /nfs/dbraw/zinc/21/44/58/1128214458.db2.gz VMZZNKTWAQRLAV-ABAIWWIYSA-N 0 0 286.350 3.655 20 10 CHCDRN CCC[C@H](C)[NH2+]Cc1cc(Cl)c2cccnc2c1[O-] ZINC001257308418 1128217977 /nfs/dbraw/zinc/21/79/77/1128217977.db2.gz RWVIQTIJWPRBFB-JTQLQIEISA-N 0 0 278.783 3.872 20 10 CHCDRN CC[C@@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1ccccc1O ZINC000927129963 1128220746 /nfs/dbraw/zinc/22/07/46/1128220746.db2.gz QQJVZCFTRSJDMV-GDBMZVCRSA-N 0 0 289.419 3.925 20 10 CHCDRN Cc1ccc(/C=C\C(=O)N2C[C@@H](C)c3ccccc32)cn1 ZINC000777845995 1128290802 /nfs/dbraw/zinc/29/08/02/1128290802.db2.gz IPUSIUOWMZPDPL-ASCRHOAZSA-N 0 0 278.355 3.554 20 10 CHCDRN Cc1cc(C)cc(N(C)C(=O)/C=C/c2ccc(C)nc2)c1 ZINC000777851305 1128294360 /nfs/dbraw/zinc/29/43/60/1128294360.db2.gz RMNJYVYEXKSOIY-BQYQJAHWSA-N 0 0 280.371 3.683 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C(F)=C1CCCC1 ZINC000762601455 1128310839 /nfs/dbraw/zinc/31/08/39/1128310839.db2.gz AYJOBAMVROLKGL-UHFFFAOYSA-N 0 0 291.366 3.928 20 10 CHCDRN CCc1cc(NC(=O)N2Cc3cccc(O)c3C2)ccc1C ZINC000930750414 1128334194 /nfs/dbraw/zinc/33/41/94/1128334194.db2.gz MOAFLSGHRFRXDK-UHFFFAOYSA-N 0 0 296.370 3.811 20 10 CHCDRN CCNC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C ZINC000916105435 1128406870 /nfs/dbraw/zinc/40/68/70/1128406870.db2.gz CDZCSSPKHZAWPL-UHFFFAOYSA-N 0 0 284.403 3.967 20 10 CHCDRN c1ccn(-c2ccc(-c3nc(-c4ccncc4)no3)cc2)c1 ZINC000074457053 1128450924 /nfs/dbraw/zinc/45/09/24/1128450924.db2.gz PMTICEYEFRJYQH-UHFFFAOYSA-N 0 0 288.310 3.589 20 10 CHCDRN Cc1cc(N(C)Cc2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000917008347 1128467583 /nfs/dbraw/zinc/46/75/83/1128467583.db2.gz PGPKHXXKDQXOKP-UHFFFAOYSA-N 0 0 299.374 3.606 20 10 CHCDRN CC1=C(C)C[C@](C)(C(=O)N(C)Cc2ccccc2O)CC1 ZINC000934705297 1128467659 /nfs/dbraw/zinc/46/76/59/1128467659.db2.gz UZEJBVGGCNCOOS-GOSISDBHSA-N 0 0 287.403 3.877 20 10 CHCDRN CSCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000917954698 1128526016 /nfs/dbraw/zinc/52/60/16/1128526016.db2.gz PAMGTUVJYASPCI-UHFFFAOYSA-N 0 0 277.364 3.779 20 10 CHCDRN COc1ccccc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000040717975 1128527860 /nfs/dbraw/zinc/52/78/60/1128527860.db2.gz AUTQYNLCJMHAEE-UHFFFAOYSA-N 0 0 296.370 3.548 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCC(C)C ZINC000042035167 1128562186 /nfs/dbraw/zinc/56/21/86/1128562186.db2.gz PJUWIROLHACDRB-UHFFFAOYSA-N 0 0 276.424 3.537 20 10 CHCDRN Cc1ccc(OCCSc2nccs2)cc1 ZINC000919675886 1128621932 /nfs/dbraw/zinc/62/19/32/1128621932.db2.gz VRIKNVDVFBNMCS-UHFFFAOYSA-N 0 0 251.376 3.623 20 10 CHCDRN CN1CCCc2cc(CN3CCC[C@H]3C(F)(F)F)ccc21 ZINC001138354811 1128625277 /nfs/dbraw/zinc/62/52/77/1128625277.db2.gz WAJRTIQTNHRDMB-HNNXBMFYSA-N 0 0 298.352 3.596 20 10 CHCDRN CCC/C=C\C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000920740849 1128688155 /nfs/dbraw/zinc/68/81/55/1128688155.db2.gz KZIFHTZOGUHKFY-HJWRWDBZSA-N 0 0 288.435 3.846 20 10 CHCDRN Oc1ccc(F)cc1CNc1ccc(OCC(F)F)cc1 ZINC000779034544 1128691774 /nfs/dbraw/zinc/69/17/74/1128691774.db2.gz ZMECGDIUUIWETL-UHFFFAOYSA-N 0 0 297.276 3.787 20 10 CHCDRN Oc1ccc(F)cc1C[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000779080900 1128723735 /nfs/dbraw/zinc/72/37/35/1128723735.db2.gz FINZPCFCNDPXLJ-YWPYICTPSA-N 0 0 263.356 3.590 20 10 CHCDRN Cc1cccc(-c2noc(CSc3nccs3)n2)c1 ZINC000064669720 1128733366 /nfs/dbraw/zinc/73/33/66/1128733366.db2.gz MDUIGIGGCVGFNK-UHFFFAOYSA-N 0 0 289.385 3.794 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SCCOC(C)(C)C ZINC000049517150 1117759529 /nfs/dbraw/zinc/75/95/29/1117759529.db2.gz JSANKPQXQYQQOA-UHFFFAOYSA-N 0 0 290.432 3.994 20 10 CHCDRN Cc1cc(C)c(NC(=O)c2ccc(C)c(O)c2O)c(C)c1 ZINC000179443987 1128742673 /nfs/dbraw/zinc/74/26/73/1128742673.db2.gz OLDFXUGOKZSQQN-UHFFFAOYSA-N 0 0 285.343 3.584 20 10 CHCDRN Cc1cc(-c2csc(-c3ccc(N(C)C)cc3)n2)on1 ZINC000185921865 1117947102 /nfs/dbraw/zinc/94/71/02/1117947102.db2.gz BPFOYEVYFUGOGL-UHFFFAOYSA-N 0 0 285.372 3.840 20 10 CHCDRN CCC[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000179523250 1128746269 /nfs/dbraw/zinc/74/62/69/1128746269.db2.gz ZFDNJLNTHZYCPV-CQSZACIVSA-N 0 0 263.381 3.555 20 10 CHCDRN CC(=O)Nc1cc(N[C@@H](C)c2ccccc2O)ccc1C ZINC000037120484 1117966631 /nfs/dbraw/zinc/96/66/31/1117966631.db2.gz PRPQJUNZCSRGMA-LBPRGKRZSA-N 0 0 284.359 3.832 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1C[C@@H]1c1ccccc1)c1ccc(F)cc1[O-] ZINC000186017600 1117968613 /nfs/dbraw/zinc/96/86/13/1117968613.db2.gz LXMQAZPRFXKISJ-SUYBPPKGSA-N 0 0 285.362 3.986 20 10 CHCDRN C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1)c1ccc(F)cc1[O-] ZINC000186040835 1117974279 /nfs/dbraw/zinc/97/42/79/1117974279.db2.gz FTCDHGUPITYGAP-QWHCGFSZSA-N 0 0 289.350 3.649 20 10 CHCDRN CCCCN(Cc1ccccc1O)CC(F)(F)F ZINC000179560576 1128748171 /nfs/dbraw/zinc/74/81/71/1128748171.db2.gz AFFNAZDHRILRJC-UHFFFAOYSA-N 0 0 261.287 3.557 20 10 CHCDRN Oc1ccccc1CN(Cc1ccccc1)CC(F)F ZINC000179581331 1128749134 /nfs/dbraw/zinc/74/91/34/1128749134.db2.gz OBQLLHQXSZKASP-UHFFFAOYSA-N 0 0 277.314 3.660 20 10 CHCDRN Oc1ccc(F)cc1CNc1ccc2ncccc2c1 ZINC000083497093 1118156989 /nfs/dbraw/zinc/15/69/89/1118156989.db2.gz IDAAWFMUFDFRBN-UHFFFAOYSA-N 0 0 268.291 3.692 20 10 CHCDRN CC(C)=C[C@H]1[C@H](C(=O)NCc2cc(C)ccc2O)C1(C)C ZINC001167290620 1118174346 /nfs/dbraw/zinc/17/43/46/1118174346.db2.gz IHBDTWJNIFAVOP-GOEBONIOSA-N 0 0 287.403 3.555 20 10 CHCDRN Cc1ccc(O)c([C@H](C)Nc2cccc3c2CCO3)c1 ZINC000690209202 1118197722 /nfs/dbraw/zinc/19/77/22/1118197722.db2.gz FRTYETIDODXRHW-LBPRGKRZSA-N 0 0 269.344 3.809 20 10 CHCDRN C[C@@H]([NH2+]CC1(C2CC2)CCC1)c1ccc(F)cc1[O-] ZINC000186156519 1118198301 /nfs/dbraw/zinc/19/83/01/1118198301.db2.gz XLZFLJVOZUSZHC-LLVKDONJSA-N 0 0 263.356 3.762 20 10 CHCDRN C[C@H]([NH2+]C[C@](C)(O)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000188667784 1128764555 /nfs/dbraw/zinc/76/45/55/1128764555.db2.gz XZKRVNIBKCFOLZ-SJCJKPOMSA-N 0 0 295.398 3.513 20 10 CHCDRN CC[C@H]1CCCC[C@H]1C(=O)N[C@H](C)c1ccccc1O ZINC001648889996 1118271175 /nfs/dbraw/zinc/27/11/75/1118271175.db2.gz VPWITDKOSRTDIM-VNHYZAJKSA-N 0 0 275.392 3.786 20 10 CHCDRN C[C@H](NC(=O)c1cccc2c1CCCC2)c1ccccc1O ZINC001648891737 1118273397 /nfs/dbraw/zinc/27/33/97/1118273397.db2.gz GHLFJCQUZXMJNS-ZDUSSCGKSA-N 0 0 295.382 3.762 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1c(C)noc1C ZINC000186186858 1118291512 /nfs/dbraw/zinc/29/15/12/1118291512.db2.gz UWBKAWCRPHGNTB-LKFCYVNXSA-N 0 0 292.354 3.938 20 10 CHCDRN C[C@H](C1CC1)n1cc(NCc2ccc(N(C)C)cc2)cn1 ZINC000189245019 1128769798 /nfs/dbraw/zinc/76/97/98/1128769798.db2.gz FMDXZRDTLDWWMF-CYBMUJFWSA-N 0 0 284.407 3.532 20 10 CHCDRN CCOc1ccccc1NCc1cccc(C)c1O ZINC000083421960 1118353610 /nfs/dbraw/zinc/35/36/10/1118353610.db2.gz WEAKITCBPQGFPT-UHFFFAOYSA-N 0 0 257.333 3.711 20 10 CHCDRN CCc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000084199923 1118371519 /nfs/dbraw/zinc/37/15/19/1118371519.db2.gz VKHFKJZDRZWFHB-LBPRGKRZSA-N 0 0 273.351 3.945 20 10 CHCDRN Oc1cccc(-c2nc(-c3ccc(O)c(O)c3)cs2)c1 ZINC000068479913 1128777930 /nfs/dbraw/zinc/77/79/30/1128777930.db2.gz ZPEKTIPEYQLECK-UHFFFAOYSA-N 0 0 285.324 3.594 20 10 CHCDRN Oc1ccc(F)cc1CN1CCc2c3ccccc3[nH]c2C1 ZINC000180218277 1128781075 /nfs/dbraw/zinc/78/10/75/1128781075.db2.gz ASXKVLOTJGSOAZ-UHFFFAOYSA-N 0 0 296.345 3.571 20 10 CHCDRN CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2O)C1 ZINC000180250090 1128782954 /nfs/dbraw/zinc/78/29/54/1128782954.db2.gz XKEFECGUDUDGFX-UONOGXRCSA-N 0 0 283.412 3.637 20 10 CHCDRN Oc1cccc(Cl)c1CN1Cc2ccc(F)cc2C1 ZINC001140341482 1118549057 /nfs/dbraw/zinc/54/90/57/1118549057.db2.gz QMROWMMOGFYVOV-UHFFFAOYSA-N 0 0 277.726 3.701 20 10 CHCDRN CC(C)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588403474 1118551483 /nfs/dbraw/zinc/55/14/83/1118551483.db2.gz KYUIJZNUBZLLKV-WMZJFQQLSA-N 0 0 297.354 3.873 20 10 CHCDRN CC[C@@H]([NH2+]CCC[C@H]1CCOC1)c1cc(Cl)ccc1O ZINC000834906590 1118623530 /nfs/dbraw/zinc/62/35/30/1118623530.db2.gz XVRJOZNSBJUGIQ-SWLSCSKDSA-N 0 0 297.826 3.903 20 10 CHCDRN C[C@@H](Nc1cccc(CCO)c1)c1cc(Cl)ccc1O ZINC000834914267 1118631345 /nfs/dbraw/zinc/63/13/45/1118631345.db2.gz SXQSWFJBUILITD-LLVKDONJSA-N 0 0 291.778 3.754 20 10 CHCDRN COc1cccc(CN2C[C@@H](C)c3ccccc32)c1O ZINC000180675777 1128801370 /nfs/dbraw/zinc/80/13/70/1128801370.db2.gz OQSWKIBTCMGEDK-GFCCVEGCSA-N 0 0 269.344 3.525 20 10 CHCDRN Cc1cc(C(=O)NCC(C)C)c(C)n1-c1ccc(F)cc1 ZINC000068927270 1128803152 /nfs/dbraw/zinc/80/31/52/1128803152.db2.gz UWLVTUPWRVNAHJ-UHFFFAOYSA-N 0 0 288.366 3.619 20 10 CHCDRN COc1ccc(O)c([C@@H](C)NC(=O)/C(C)=C\C(C)(C)C)c1 ZINC000588505109 1119013900 /nfs/dbraw/zinc/01/39/00/1119013900.db2.gz WBGJOANYOVGICU-NLYDNYMLSA-N 0 0 291.391 3.570 20 10 CHCDRN CCc1ccccc1NCc1ccc(OC)c(OC)c1O ZINC000892250694 1119049861 /nfs/dbraw/zinc/04/98/61/1119049861.db2.gz JGOBOAHNXQUMTL-UHFFFAOYSA-N 0 0 287.359 3.584 20 10 CHCDRN CCCOc1ccc(NCc2ccccc2O)cc1 ZINC000051785133 1119127975 /nfs/dbraw/zinc/12/79/75/1119127975.db2.gz LLWFRJXLELMFSI-UHFFFAOYSA-N 0 0 257.333 3.793 20 10 CHCDRN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c1[O-] ZINC000224709119 1119176521 /nfs/dbraw/zinc/17/65/21/1119176521.db2.gz HYIDYVMAVRGNDD-MNOVXSKESA-N 0 0 295.810 3.869 20 10 CHCDRN Cc1ccc(O)c(CN2Cc3ccc(Cl)cc3C2)c1 ZINC001140623916 1119295864 /nfs/dbraw/zinc/29/58/64/1119295864.db2.gz XDNHMSUKSAWDAH-UHFFFAOYSA-N 0 0 273.763 3.870 20 10 CHCDRN CC[C@H]([NH2+]CCc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000796662679 1119314460 /nfs/dbraw/zinc/31/44/60/1119314460.db2.gz GRPXIZSJTYLNHY-INIZCTEOSA-N 0 0 291.341 3.954 20 10 CHCDRN CC(C)C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000307772405 1119361808 /nfs/dbraw/zinc/36/18/08/1119361808.db2.gz IEFFEDOYDVIRDK-LBPRGKRZSA-N 0 0 267.800 3.914 20 10 CHCDRN C[C@H](NC(=O)C(C)(C)C1CCC1)c1ccc(N(C)C)cc1 ZINC000828861353 1119534190 /nfs/dbraw/zinc/53/41/90/1119534190.db2.gz OISFIYPYVWYABL-ZDUSSCGKSA-N 0 0 288.435 3.756 20 10 CHCDRN CC(C)Oc1cccc(N(C)c2ccc(N)cc2)c1F ZINC001212326161 1128853009 /nfs/dbraw/zinc/85/30/09/1128853009.db2.gz YWZJXGMHBMUNDS-UHFFFAOYSA-N 0 0 274.339 3.963 20 10 CHCDRN CCC(CC)NC(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000849999570 1119594499 /nfs/dbraw/zinc/59/44/99/1119594499.db2.gz UJYHIWAQUHAEBE-SSDOTTSWSA-N 0 0 292.857 3.582 20 10 CHCDRN Cc1ccc(C(=O)N(C)c2cccc(C(C)C)c2)c(O)c1O ZINC000179454819 1119737742 /nfs/dbraw/zinc/73/77/42/1119737742.db2.gz MCAQEYFGPJNKLA-UHFFFAOYSA-N 0 0 299.370 3.806 20 10 CHCDRN CC(C)[C@@H](CC(=O)NCc1ccccc1O)c1ccccc1 ZINC000728605219 1119742167 /nfs/dbraw/zinc/74/21/67/1119742167.db2.gz UOXJKNUEKXICIC-QGZVFWFLSA-N 0 0 297.398 3.838 20 10 CHCDRN C[C@H]1SCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000310388497 1119746016 /nfs/dbraw/zinc/74/60/16/1119746016.db2.gz FNGTXMFVZYFZDD-HQJQHLMTSA-N 0 0 292.231 3.683 20 10 CHCDRN C/C=C(\CC)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000190638532 1128871793 /nfs/dbraw/zinc/87/17/93/1128871793.db2.gz SLDAYAHGDJULBS-LZWSPWQCSA-N 0 0 299.370 3.870 20 10 CHCDRN C[C@H](NCc1cc[nH]n1)c1ccc(N2CCCCCC2)cc1 ZINC000177956594 1119890986 /nfs/dbraw/zinc/89/09/86/1119890986.db2.gz QSMPDMFPGAEKKM-HNNXBMFYSA-N 0 0 298.434 3.641 20 10 CHCDRN C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000162912118 1120003944 /nfs/dbraw/zinc/00/39/44/1120003944.db2.gz FFLOXTHCYPDINO-DTWKUNHWSA-N 0 0 274.191 3.929 20 10 CHCDRN COc1ccc(F)cc1N[C@H](C)c1cc(F)ccc1O ZINC000186355984 1120033331 /nfs/dbraw/zinc/03/33/31/1120033331.db2.gz QQDVTFLRXVSYFH-SECBINFHSA-N 0 0 279.286 3.852 20 10 CHCDRN Cc1snnc1-c1nc(-c2cc(C)ccc2Cl)no1 ZINC001212405149 1120067653 /nfs/dbraw/zinc/06/76/53/1120067653.db2.gz JBMRLIJKSXGRNW-UHFFFAOYSA-N 0 0 292.751 3.525 20 10 CHCDRN Nc1ccc(NC(=O)N[C@@H]2CCCCC23CCCC3)cc1 ZINC000314135548 1120171687 /nfs/dbraw/zinc/17/16/87/1120171687.db2.gz KVPWBAOBNHWJGK-OAHLLOKOSA-N 0 0 287.407 3.893 20 10 CHCDRN CCC[N@@H+](Cc1ccc(OC)c(Cl)c1[O-])CC(C)C ZINC001236809197 1128896699 /nfs/dbraw/zinc/89/66/99/1128896699.db2.gz KEZPJNGQLZWRRY-UHFFFAOYSA-N 0 0 285.815 3.922 20 10 CHCDRN CNc1ccccc1N[C@H]1CCCc2cccnc21 ZINC001168658688 1120192404 /nfs/dbraw/zinc/19/24/04/1120192404.db2.gz HYTVACOGEOSHNA-HNNXBMFYSA-N 0 0 253.349 3.613 20 10 CHCDRN Cc1cc(C)cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000018150474 1120195430 /nfs/dbraw/zinc/19/54/30/1120195430.db2.gz FUAMTLLDAJQSKT-UHFFFAOYSA-N 0 0 296.414 3.642 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CC(C)(C)OC1(C)C)c1ccc(F)cc1[O-] ZINC000186499771 1120241348 /nfs/dbraw/zinc/24/13/48/1120241348.db2.gz NSSAOMDIZMQTOJ-QMTHXVAHSA-N 0 0 281.371 3.528 20 10 CHCDRN CC(C)n1c2ccccc2nc1-c1ccc(O)c(O)c1 ZINC000225654388 1120249020 /nfs/dbraw/zinc/24/90/20/1120249020.db2.gz WFYXPBUYFGRFSH-UHFFFAOYSA-N 0 0 268.316 3.695 20 10 CHCDRN Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000180244989 1120269259 /nfs/dbraw/zinc/26/92/59/1120269259.db2.gz ZHWXOMFJNGMJJX-INIZCTEOSA-N 0 0 288.366 3.597 20 10 CHCDRN COC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCCCC1 ZINC000186515870 1120400324 /nfs/dbraw/zinc/40/03/24/1120400324.db2.gz CHYUGXLIXUNHHL-LBPRGKRZSA-N 0 0 281.371 3.531 20 10 CHCDRN Cc1ccc([C@H](C)[NH2+]C[C@H](C)c2ccccn2)c(O)c1 ZINC000692692147 1120488596 /nfs/dbraw/zinc/48/85/96/1120488596.db2.gz QIHTVERSFCESMH-KBPBESRZSA-N 0 0 270.376 3.550 20 10 CHCDRN CCCCOCCC[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000191179638 1120516749 /nfs/dbraw/zinc/51/67/49/1120516749.db2.gz XTFFNOLFGSCCGM-NSHDSACASA-N 0 0 287.350 3.528 20 10 CHCDRN Oc1c(Cl)cccc1CNc1ccc(Cl)cn1 ZINC000191935241 1120531578 /nfs/dbraw/zinc/53/15/78/1120531578.db2.gz QLPLBYJNPDFIRE-UHFFFAOYSA-N 0 0 269.131 3.706 20 10 CHCDRN C[C@H]([NH2+][C@@H](C)C1CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756597091 1120577406 /nfs/dbraw/zinc/57/74/06/1120577406.db2.gz KFVFQDNOICCQJM-RYUDHWBXSA-N 0 0 292.379 3.920 20 10 CHCDRN COc1ccc(O)c(CNc2ccc(C)c(C)c2)c1 ZINC000020089900 1120582954 /nfs/dbraw/zinc/58/29/54/1120582954.db2.gz WEANWDUTHBOVKE-UHFFFAOYSA-N 0 0 257.333 3.630 20 10 CHCDRN COc1ccc(O)c(CNc2cc(C)cc(C)c2)c1 ZINC000020091386 1120583069 /nfs/dbraw/zinc/58/30/69/1120583069.db2.gz KIGXHKOZDCJYBI-UHFFFAOYSA-N 0 0 257.333 3.630 20 10 CHCDRN CC(C)C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000186834430 1120676087 /nfs/dbraw/zinc/67/60/87/1120676087.db2.gz WGWKPUSFSHZRQJ-MJEQTWJJSA-N 0 0 295.398 3.776 20 10 CHCDRN CC(C)([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000230674989 1120830149 /nfs/dbraw/zinc/83/01/49/1120830149.db2.gz ASCYTIWFYFVANC-UHFFFAOYSA-N 0 0 274.191 3.977 20 10 CHCDRN Cc1cc(-n2ccnc2)ccc1CSc1nccs1 ZINC000191559810 1128943795 /nfs/dbraw/zinc/94/37/95/1128943795.db2.gz RZOLTFSSIHKYOJ-UHFFFAOYSA-N 0 0 287.413 3.930 20 10 CHCDRN Oc1ccccc1CN(Cc1c(F)cccc1F)C1CC1 ZINC000191622995 1128946095 /nfs/dbraw/zinc/94/60/95/1128946095.db2.gz AQJDXLGUQOQEFO-UHFFFAOYSA-N 0 0 289.325 3.835 20 10 CHCDRN CC(C)Oc1ccc(N(C)CCc2cccnc2)cc1 ZINC000759932403 1120896864 /nfs/dbraw/zinc/89/68/64/1120896864.db2.gz CVZRLDKXJBGBMB-UHFFFAOYSA-N 0 0 270.376 3.548 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2cnc3ccccn23)cc1 ZINC000759932337 1120897823 /nfs/dbraw/zinc/89/78/23/1120897823.db2.gz CESDNLXQSSMKNW-UHFFFAOYSA-N 0 0 295.386 3.758 20 10 CHCDRN CSCCCN(C)c1ccc(OC(C)C)cc1 ZINC000759933320 1120901536 /nfs/dbraw/zinc/90/15/36/1120901536.db2.gz MLYGSJUCBHPVGE-UHFFFAOYSA-N 0 0 253.411 3.663 20 10 CHCDRN COc1ccc(CN(C)c2ccc(OC(C)C)cc2)cn1 ZINC000759933833 1120904877 /nfs/dbraw/zinc/90/48/77/1120904877.db2.gz RDGGHJQGDXNAFP-UHFFFAOYSA-N 0 0 286.375 3.514 20 10 CHCDRN CN(C)c1ccc(CNc2ccccc2N2CCCC2)cc1 ZINC000121582150 1120957578 /nfs/dbraw/zinc/95/75/78/1120957578.db2.gz WZMZWHQTHHGQII-UHFFFAOYSA-N 0 0 295.430 3.965 20 10 CHCDRN CC(C)c1ccc(CN(C)Cc2cscn2)c(O)c1 ZINC001237049677 1128952813 /nfs/dbraw/zinc/95/28/13/1128952813.db2.gz RKAPOQDVULSQBT-UHFFFAOYSA-N 0 0 276.405 3.604 20 10 CHCDRN Cc1ccc(C)c(N(C)C(=O)/C=C\c2ccc(C)nc2)c1 ZINC000779471717 1128954709 /nfs/dbraw/zinc/95/47/09/1128954709.db2.gz LJFJKMSZOBNBFB-KTKRTIGZSA-N 0 0 280.371 3.683 20 10 CHCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)CC(C)(C)C)c1 ZINC000773408707 1121056216 /nfs/dbraw/zinc/05/62/16/1121056216.db2.gz VBGMXMOCGPTVLH-RYUDHWBXSA-N 0 0 293.407 3.650 20 10 CHCDRN CC(C)C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773409911 1121057909 /nfs/dbraw/zinc/05/79/09/1121057909.db2.gz HBDNIXFHMOVGIX-KGLIPLIRSA-N 0 0 291.439 3.547 20 10 CHCDRN O=C(CCCC1CCCCC1)NCc1ccccc1O ZINC000701126822 1121134074 /nfs/dbraw/zinc/13/40/74/1121134074.db2.gz AYPCITBRTXGGQJ-UHFFFAOYSA-N 0 0 275.392 3.759 20 10 CHCDRN [O-]c1ccc(Cl)c(Cl)c1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001237077817 1128965123 /nfs/dbraw/zinc/96/51/23/1128965123.db2.gz KJVQZDMWFARTQD-UWVGGRQHSA-N 0 0 286.202 3.931 20 10 CHCDRN Cc1ccc(N(CCO)c2ccc(N)cc2)c2ccccc12 ZINC001174988143 1121142219 /nfs/dbraw/zinc/14/22/19/1121142219.db2.gz VPQAMOKUUXAZHU-UHFFFAOYSA-N 0 0 292.382 3.861 20 10 CHCDRN CCCC[C@H](CCC)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779529897 1128967698 /nfs/dbraw/zinc/96/76/98/1128967698.db2.gz QLXUIVJZXFOJML-FPAJZGIOSA-N 0 0 291.391 3.586 20 10 CHCDRN CS[C@@H]1CC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000702005806 1121177555 /nfs/dbraw/zinc/17/75/55/1121177555.db2.gz SLMRCBLBEJNAGO-GHMZBOCLSA-N 0 0 292.231 3.683 20 10 CHCDRN CC(C)Oc1cc(F)cc(Nc2ccc(N)cc2)c1 ZINC001175142414 1121198857 /nfs/dbraw/zinc/19/88/57/1121198857.db2.gz DSFLAAPZVRADGG-UHFFFAOYSA-N 0 0 260.312 3.939 20 10 CHCDRN CC(C)Oc1cc(F)cc(N(C)c2ccc(N)cc2)c1 ZINC001175145742 1121201041 /nfs/dbraw/zinc/20/10/41/1121201041.db2.gz UHFOGFQPVCJXPV-UHFFFAOYSA-N 0 0 274.339 3.963 20 10 CHCDRN Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)[nH]n1 ZINC000766085847 1121204420 /nfs/dbraw/zinc/20/44/20/1121204420.db2.gz VSIMILQEFHSMCQ-OAHLLOKOSA-N 0 0 298.434 3.559 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000702770083 1121212456 /nfs/dbraw/zinc/21/24/56/1121212456.db2.gz PRRYQKKVLGOPHA-UHFFFAOYSA-N 0 0 275.726 3.667 20 10 CHCDRN Nc1ccc(NC(=O)NCCCC2CCCCC2)cc1 ZINC000703221372 1121240315 /nfs/dbraw/zinc/24/03/15/1121240315.db2.gz UPEKUIQEFIFPOT-UHFFFAOYSA-N 0 0 275.396 3.751 20 10 CHCDRN [O-]c1c(C[NH2+]C[C@@H]2CCCCC2(F)F)ccc(F)c1F ZINC000703394133 1121253552 /nfs/dbraw/zinc/25/35/52/1121253552.db2.gz GKWPYGXSRHSHHY-JTQLQIEISA-N 0 0 291.288 3.586 20 10 CHCDRN CCOc1c(F)cccc1N(C)c1ccc(N)cc1 ZINC001212537960 1121264538 /nfs/dbraw/zinc/26/45/38/1121264538.db2.gz SYLZLOANUYTJNM-UHFFFAOYSA-N 0 0 260.312 3.575 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1cc(F)cc(F)c1[O-] ZINC000756476775 1121284878 /nfs/dbraw/zinc/28/48/78/1121284878.db2.gz UWIWTEOLOTUMDG-MNOVXSKESA-N 0 0 267.319 3.677 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000124514019 1121303160 /nfs/dbraw/zinc/30/31/60/1121303160.db2.gz KNWOWXNPUULPSH-SNVBAGLBSA-N 0 0 293.716 3.820 20 10 CHCDRN CC(C)Oc1ccc(N(C)C[C@H]2CCO[C@@H](C)C2)cc1 ZINC000763544337 1128982631 /nfs/dbraw/zinc/98/26/31/1128982631.db2.gz LOGZCWGLLZVMAY-GJZGRUSLSA-N 0 0 277.408 3.725 20 10 CHCDRN C[N@H+](C/C=C/c1ccccc1)Cc1c([O-])cccc1F ZINC001137838687 1121421227 /nfs/dbraw/zinc/42/12/27/1121421227.db2.gz HNIBNQYBDQXERW-RMKNXTFCSA-N 0 0 271.335 3.677 20 10 CHCDRN CCc1cccc(CNc2ccccc2OC)c1O ZINC000709402983 1121470884 /nfs/dbraw/zinc/47/08/84/1121470884.db2.gz OQUACZAVGFVDGI-UHFFFAOYSA-N 0 0 257.333 3.575 20 10 CHCDRN CC[C@H](CC(=O)N(C)c1ccc(N)cc1)C(C)(C)C ZINC000711189279 1121491080 /nfs/dbraw/zinc/49/10/80/1121491080.db2.gz ICCRZXPSUFDNNQ-GFCCVEGCSA-N 0 0 262.397 3.694 20 10 CHCDRN Cc1noc(C)c1Nc1nc(-c2ccncc2)cs1 ZINC001176175576 1121563405 /nfs/dbraw/zinc/56/34/05/1121563405.db2.gz DIKOCQVQFNTHAX-UHFFFAOYSA-N 0 0 272.333 3.554 20 10 CHCDRN COc1cc(Cl)cc(Nc2cccc(O)c2O)c1 ZINC001176344963 1121602398 /nfs/dbraw/zinc/60/23/98/1121602398.db2.gz WWOKDUPYXQSRHN-UHFFFAOYSA-N 0 0 265.696 3.503 20 10 CHCDRN CCN(C(=O)/C=C/c1cncc(C)c1)c1cccc(C)c1F ZINC001288104954 1121616509 /nfs/dbraw/zinc/61/65/09/1121616509.db2.gz UKYNHWGMYDIMAG-CMDGGOBGSA-N 0 0 298.361 3.904 20 10 CHCDRN Oc1cccc(Nc2cccc(OC(F)(F)F)c2)c1O ZINC001176540775 1121646287 /nfs/dbraw/zinc/64/62/87/1121646287.db2.gz NFVXYHJNHORDSH-UHFFFAOYSA-N 0 0 285.221 3.740 20 10 CHCDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1cccc(C)c1 ZINC000729312675 1121774898 /nfs/dbraw/zinc/77/48/98/1121774898.db2.gz DTHHVQILIYLGKC-BQYQJAHWSA-N 0 0 284.334 3.595 20 10 CHCDRN CCc1cccnc1NCc1ccc(N2CCCC2)cc1 ZINC001178267211 1121779124 /nfs/dbraw/zinc/77/91/24/1121779124.db2.gz CUXTYGZCYOYOBD-UHFFFAOYSA-N 0 0 281.403 3.856 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNc1cc2n(n1)CCCC2 ZINC001178666037 1121803985 /nfs/dbraw/zinc/80/39/85/1121803985.db2.gz FEFBQQYUFIRPAH-UHFFFAOYSA-N 0 0 294.402 3.632 20 10 CHCDRN Cc1csc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)c1 ZINC001178758677 1121814045 /nfs/dbraw/zinc/81/40/45/1121814045.db2.gz DKQFLQDFCWYQAD-UHFFFAOYSA-N 0 0 285.771 3.844 20 10 CHCDRN CCC1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCC1 ZINC001178765767 1121814987 /nfs/dbraw/zinc/81/49/87/1121814987.db2.gz HQQJRGLOUXLUDS-UHFFFAOYSA-N 0 0 271.763 3.997 20 10 CHCDRN CN(C)c1ccc(/C=C/CNc2cccc3c2OCC3)cc1 ZINC001179159319 1121855543 /nfs/dbraw/zinc/85/55/43/1121855543.db2.gz MDHOXTUGHRNAIO-SNAWJCMRSA-N 0 0 294.398 3.813 20 10 CHCDRN CN(Cc1c(F)cccc1Cl)C(=O)C1=CC(=O)CS1 ZINC000731863746 1121891034 /nfs/dbraw/zinc/89/10/34/1121891034.db2.gz COFKDRBNVFHCCS-UHFFFAOYSA-N 0 0 299.754 3.518 20 10 CHCDRN CCC[C@H]1CCCC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000732286367 1121915467 /nfs/dbraw/zinc/91/54/67/1121915467.db2.gz SDRCHYRDAVNBEQ-CMPLNLGQSA-N 0 0 267.394 3.542 20 10 CHCDRN O=C(NCCCC1CCCCC1)C1=CC(=O)CS1 ZINC000732270506 1121915929 /nfs/dbraw/zinc/91/59/29/1121915929.db2.gz UZIIEZZAFDHBPT-UHFFFAOYSA-N 0 0 267.394 3.544 20 10 CHCDRN CC(C)c1ccc(CNC(=O)C2=CC(=O)CS2)cc1 ZINC000732269896 1121916616 /nfs/dbraw/zinc/91/66/16/1121916616.db2.gz XDFNRRVLUGFOPP-UHFFFAOYSA-N 0 0 275.373 3.507 20 10 CHCDRN CC(C)(C)c1nc(COC(=O)C2=CC(=O)CS2)cs1 ZINC000732354035 1121917747 /nfs/dbraw/zinc/91/77/47/1121917747.db2.gz YUQPPPDHWYPNCW-UHFFFAOYSA-N 0 0 297.401 3.565 20 10 CHCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@@H]1C ZINC001180198583 1121964459 /nfs/dbraw/zinc/96/44/59/1121964459.db2.gz DWXFECKJFCCYCM-ZJUUUORDSA-N 0 0 271.763 3.663 20 10 CHCDRN C[N@H+](CCCc1ccc(F)c(F)c1)Cc1ccccc1O ZINC001180238755 1121967794 /nfs/dbraw/zinc/96/77/94/1121967794.db2.gz AACGZTWHIGGIMS-UHFFFAOYSA-N 0 0 291.341 3.735 20 10 CHCDRN Cc1cc(C(=O)O[C@@H]2C=CCCC2)c(C)n1-c1ccccn1 ZINC000733436243 1121988343 /nfs/dbraw/zinc/98/83/43/1121988343.db2.gz SVXJUOHGLUBYOP-OAHLLOKOSA-N 0 0 296.370 3.755 20 10 CHCDRN COCCOc1cccc(N[C@@H]2CCc3cccc(O)c32)c1 ZINC000319673319 1122068458 /nfs/dbraw/zinc/06/84/58/1122068458.db2.gz FUWCWXWIDLMVAP-MRXNPFEDSA-N 0 0 299.370 3.517 20 10 CHCDRN Cc1c2cc(OCc3nc(C4CC4)no3)ccc2n(C)c1C ZINC000421208770 1122080842 /nfs/dbraw/zinc/08/08/42/1122080842.db2.gz XZDZMIXCPORCME-UHFFFAOYSA-N 0 0 297.358 3.635 20 10 CHCDRN CN(C)c1cc(F)c(C[N@@H+]2CCC[C@@H](C3CC3)C2)cc1F ZINC001182184783 1122117513 /nfs/dbraw/zinc/11/75/13/1122117513.db2.gz UPGFFRFPBHMXCZ-CYBMUJFWSA-N 0 0 294.389 3.653 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCc2c1cccc2O ZINC000271887155 1122181565 /nfs/dbraw/zinc/18/15/65/1122181565.db2.gz QYLWAJQZMOXICA-AWEZNQCLSA-N 0 0 289.762 3.528 20 10 CHCDRN Cc1nn(C)c(C)c1N[C@@H](C)c1cc(Cl)ccc1O ZINC000273464350 1122234365 /nfs/dbraw/zinc/23/43/65/1122234365.db2.gz QZOTXSVDZNBSGU-QMMMGPOBSA-N 0 0 279.771 3.569 20 10 CHCDRN C[C@@H]([NH2+]C1(c2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000273527178 1122237813 /nfs/dbraw/zinc/23/78/13/1122237813.db2.gz VORDSUMCVOJNIF-GFCCVEGCSA-N 0 0 271.335 3.871 20 10 CHCDRN CCn1c2ccc(C)cc2nc1NCc1cccc(F)c1O ZINC001184461451 1122277790 /nfs/dbraw/zinc/27/77/90/1122277790.db2.gz AGHIOXANEZMRJY-UHFFFAOYSA-N 0 0 299.349 3.821 20 10 CHCDRN COc1cccc(CNc2ccc(Cl)cc2OC)c1O ZINC000775345602 1122525186 /nfs/dbraw/zinc/52/51/86/1122525186.db2.gz PYYBYIZYLNSMTK-UHFFFAOYSA-N 0 0 293.750 3.675 20 10 CHCDRN C[C@H]1CC(CC[NH2+]Cc2ccc(Cl)cc2[O-])C[C@H](C)O1 ZINC001205506601 1122535412 /nfs/dbraw/zinc/53/54/12/1122535412.db2.gz BTUCMGXPCMZDKI-RYUDHWBXSA-N 0 0 297.826 3.729 20 10 CHCDRN COc1cc(C)ccc1NCc1cc(C)ccc1O ZINC000071408155 1129062777 /nfs/dbraw/zinc/06/27/77/1129062777.db2.gz QOXJUHITACMCKN-UHFFFAOYSA-N 0 0 257.333 3.630 20 10 CHCDRN CC[C@@H](Nc1c(C)nn(C)c1C)c1cc(Cl)ccc1O ZINC000775542565 1122655807 /nfs/dbraw/zinc/65/58/07/1122655807.db2.gz QULJQZXOJQYARQ-CYBMUJFWSA-N 0 0 293.798 3.959 20 10 CHCDRN COC1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CCCCC1 ZINC000775562686 1122675769 /nfs/dbraw/zinc/67/57/69/1122675769.db2.gz NPPUZZZZSQELEF-NSHDSACASA-N 0 0 299.361 3.670 20 10 CHCDRN CCC1(NC(=O)c2ccc(O)c(O)c2Cl)CCCCC1 ZINC001193237120 1122682304 /nfs/dbraw/zinc/68/23/04/1122682304.db2.gz WUYSJWOXMINZSV-UHFFFAOYSA-N 0 0 297.782 3.594 20 10 CHCDRN O=C(NCc1cc2ccccc2cc1O)OC1CCCC1 ZINC001193583878 1122699361 /nfs/dbraw/zinc/69/93/61/1122699361.db2.gz BUXHJQYJNKENSY-UHFFFAOYSA-N 0 0 285.343 3.714 20 10 CHCDRN CCCCCOC(=O)N(CC)Cc1ccccc1O ZINC001193759695 1122718416 /nfs/dbraw/zinc/71/84/16/1122718416.db2.gz ISSYIQKABAKUAU-UHFFFAOYSA-N 0 0 265.353 3.541 20 10 CHCDRN COc1ccc(O)c(CNc2ccc(Cl)c(OC)c2)c1 ZINC000193417093 1129075625 /nfs/dbraw/zinc/07/56/25/1129075625.db2.gz MMLMFQYRXAXYNU-UHFFFAOYSA-N 0 0 293.750 3.675 20 10 CHCDRN COCc1ccc(N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000193422265 1129076244 /nfs/dbraw/zinc/07/62/44/1129076244.db2.gz YDCNUKGNIVUKRV-LBPRGKRZSA-N 0 0 287.359 3.720 20 10 CHCDRN C[C@H](Nc1cnn(C(C)(C)C)c1)c1ccccc1O ZINC000183668187 1129078288 /nfs/dbraw/zinc/07/82/88/1129078288.db2.gz BYXFEFAWJMRNDO-NSHDSACASA-N 0 0 259.353 3.517 20 10 CHCDRN CCC(CC)COC(=O)N[C@@H](C)c1ccccc1O ZINC001194721694 1122798429 /nfs/dbraw/zinc/79/84/29/1122798429.db2.gz NOAXJLNNQQKISE-NSHDSACASA-N 0 0 265.353 3.616 20 10 CHCDRN CC[C@H](C)OC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001195110994 1122843377 /nfs/dbraw/zinc/84/33/77/1122843377.db2.gz CLPQWGKOAXTXTL-ZDUSSCGKSA-N 0 0 278.396 3.510 20 10 CHCDRN COc1ccc(N(CCC(C)(C)OC)CC(C)C)cc1 ZINC001195256638 1122857967 /nfs/dbraw/zinc/85/79/67/1122857967.db2.gz BXYVXIACGTYPKP-UHFFFAOYSA-N 0 0 279.424 3.973 20 10 CHCDRN C[N@H+](CCc1ccc(F)cc1)Cc1cccc(Cl)c1[O-] ZINC000775658276 1122868766 /nfs/dbraw/zinc/86/87/66/1122868766.db2.gz NATDPKKWSMPDDV-UHFFFAOYSA-N 0 0 293.769 3.859 20 10 CHCDRN CC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775663645 1122877432 /nfs/dbraw/zinc/87/74/32/1122877432.db2.gz QEVWMWYYIBELTB-NSHDSACASA-N 0 0 257.736 3.559 20 10 CHCDRN COc1ccc(N(C)Cc2ccc3cc[nH]c3c2)cc1 ZINC001195819119 1122890621 /nfs/dbraw/zinc/89/06/21/1122890621.db2.gz QDUCHQCDBSLKIU-UHFFFAOYSA-N 0 0 266.344 3.813 20 10 CHCDRN COc1ccc(N(C)CCc2ccccc2F)cc1 ZINC001195819083 1122891005 /nfs/dbraw/zinc/89/10/05/1122891005.db2.gz OPANRQDUKICNNN-UHFFFAOYSA-N 0 0 259.324 3.513 20 10 CHCDRN c1csc(SCc2nnc(-c3ccccc3)s2)n1 ZINC000193517931 1129085563 /nfs/dbraw/zinc/08/55/63/1129085563.db2.gz ZHVDMDKOPGAXIE-UHFFFAOYSA-N 0 0 291.426 3.954 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000775693201 1122910550 /nfs/dbraw/zinc/91/05/50/1122910550.db2.gz VQCSDAZWZJCOCK-JTQLQIEISA-N 0 0 295.741 3.767 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCc2cccc(F)c2C1 ZINC000775700661 1122914332 /nfs/dbraw/zinc/91/43/32/1122914332.db2.gz MCUOZUGQQLAYDH-UHFFFAOYSA-N 0 0 291.753 3.743 20 10 CHCDRN CCOc1ccc(N(Cc2cscn2)CC2CC2)cc1 ZINC001196953176 1122940979 /nfs/dbraw/zinc/94/09/79/1122940979.db2.gz SKFYZGGDUUHJHV-UHFFFAOYSA-N 0 0 288.416 3.958 20 10 CHCDRN Cc1ccc(CNC(=S)Nc2ccc(Cl)cc2)nc1 ZINC001197341830 1122955035 /nfs/dbraw/zinc/95/50/35/1122955035.db2.gz GHUSJDKTINDIQI-UHFFFAOYSA-N 0 0 291.807 3.530 20 10 CHCDRN CC1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCC1 ZINC000775819822 1122980757 /nfs/dbraw/zinc/98/07/57/1122980757.db2.gz LROMNFQWHSTSHU-UHFFFAOYSA-N 0 0 257.736 3.607 20 10 CHCDRN C[C@H](NC/C(Cl)=C/Cl)c1ccc(N(C)C)cc1 ZINC000775830483 1122985244 /nfs/dbraw/zinc/98/52/44/1122985244.db2.gz KAONJBUKQIHSOM-UVIKPUKZSA-N 0 0 273.207 3.722 20 10 CHCDRN COc1cc(C)cc(CNc2cccc(C3CC3)n2)c1O ZINC000894857360 1122991369 /nfs/dbraw/zinc/99/13/69/1122991369.db2.gz GHXLCCSSFOKVKR-UHFFFAOYSA-N 0 0 284.359 3.594 20 10 CHCDRN Cc1cccc(NC(=S)NCc2ncccc2Cl)c1 ZINC001198700178 1123005795 /nfs/dbraw/zinc/00/57/95/1123005795.db2.gz NAFKXHSVSGUTMA-UHFFFAOYSA-N 0 0 291.807 3.530 20 10 CHCDRN CC[C@@H](CC(=O)N[C@@H](C)c1cc(OC)ccc1O)C(C)C ZINC000104900790 1123023509 /nfs/dbraw/zinc/02/35/09/1123023509.db2.gz FMEAFESKFWFMRG-STQMWFEESA-N 0 0 293.407 3.650 20 10 CHCDRN Oc1ccc(F)cc1CNc1cccc2cc[nH]c21 ZINC000775993969 1123033925 /nfs/dbraw/zinc/03/39/25/1123033925.db2.gz IFICSWOVBYAZLY-UHFFFAOYSA-N 0 0 256.280 3.625 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C1(c2ccccc2)CC1 ZINC000776170403 1123100818 /nfs/dbraw/zinc/10/08/18/1123100818.db2.gz UFJJVXPGZMGSLN-UHFFFAOYSA-N 0 0 291.753 3.964 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1Cc2ccccc2C1 ZINC000776174532 1123101503 /nfs/dbraw/zinc/10/15/03/1123101503.db2.gz DRTAPUVMGVOCIR-UHFFFAOYSA-N 0 0 287.790 3.550 20 10 CHCDRN CCCC(C)(C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776171105 1123101522 /nfs/dbraw/zinc/10/15/22/1123101522.db2.gz WMGHJLYRQVTWJH-UHFFFAOYSA-N 0 0 259.752 3.853 20 10 CHCDRN CCc1ccc(CC)c(NC(=O)Cc2ccc(N)cc2)c1 ZINC000237161487 1123107989 /nfs/dbraw/zinc/10/79/89/1123107989.db2.gz NRCNDECVRXTJBW-UHFFFAOYSA-N 0 0 282.387 3.575 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc3c(c2)OCO3)cc1 ZINC001201498391 1123111498 /nfs/dbraw/zinc/11/14/98/1123111498.db2.gz WWKBFSDGZBZLOK-UHFFFAOYSA-N 0 0 270.332 3.979 20 10 CHCDRN COc1cc(Nc2ccc(NC(C)C)cc2)c(C)cn1 ZINC001201497863 1123111645 /nfs/dbraw/zinc/11/16/45/1123111645.db2.gz LCHBUQXEDKNJGX-UHFFFAOYSA-N 0 0 271.364 3.963 20 10 CHCDRN Cc1ncccc1NC/C=C\c1ccc(N(C)C)cc1 ZINC001201567231 1123125986 /nfs/dbraw/zinc/12/59/86/1123125986.db2.gz USQRWETZWVRBRQ-XQRVVYSFSA-N 0 0 267.376 3.581 20 10 CHCDRN Cc1ccccc1NC(=S)NCc1ccc(Cl)cn1 ZINC000776194076 1123127681 /nfs/dbraw/zinc/12/76/81/1123127681.db2.gz IYFGAHKQWXLDCL-UHFFFAOYSA-N 0 0 291.807 3.530 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCC1=CCCC1 ZINC000776252203 1123179689 /nfs/dbraw/zinc/17/96/89/1123179689.db2.gz PPQJJLTYXPYUCX-UHFFFAOYSA-N 0 0 269.747 3.775 20 10 CHCDRN C[C@H]([NH2+][C@H]1CC12CCCC2)c1cc(F)cc(F)c1[O-] ZINC000760041398 1123183264 /nfs/dbraw/zinc/18/32/64/1123183264.db2.gz OURXXJXVTUQKSW-ZANVPECISA-N 0 0 267.319 3.654 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1cc(F)cc(F)c1[O-] ZINC000760041386 1123185476 /nfs/dbraw/zinc/18/54/76/1123185476.db2.gz OURXXJXVTUQKSW-NOZJJQNGSA-N 0 0 267.319 3.654 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CC[C@H](C)C2)cc1 ZINC000776308130 1123212908 /nfs/dbraw/zinc/21/29/08/1123212908.db2.gz HGYKTYQJRZKSLW-HOCLYGCPSA-N 0 0 288.435 3.585 20 10 CHCDRN F[C@@H](CSc1ncc(Cl)s1)C(F)(F)F ZINC000850000452 1123236870 /nfs/dbraw/zinc/23/68/70/1123236870.db2.gz VRFWBCKCMVRODS-VKHMYHEASA-N 0 0 265.684 3.789 20 10 CHCDRN CCOC(=O)CC[C@H](C)Sc1ncc(Cl)s1 ZINC000849999870 1123235998 /nfs/dbraw/zinc/23/59/98/1123235998.db2.gz AXXMCLZRGSWLRE-ZETCQYMHSA-N 0 0 279.814 3.620 20 10 CHCDRN CC(C)(C)c1noc(CSc2ncc(Cl)s2)n1 ZINC000849999446 1123236052 /nfs/dbraw/zinc/23/60/52/1123236052.db2.gz RPVROOASQPPPSR-UHFFFAOYSA-N 0 0 289.813 3.769 20 10 CHCDRN C[C@@H]1C[C@H](Sc2ncc(Cl)s2)C[C@H](C)O1 ZINC000850001764 1123236649 /nfs/dbraw/zinc/23/66/49/1123236649.db2.gz NBRYOALMIXPKFA-JIGDXULJSA-N 0 0 263.815 3.845 20 10 CHCDRN O=C(CSc1ncc(Cl)s1)C1CCCC1 ZINC000850000225 1123236655 /nfs/dbraw/zinc/23/66/55/1123236655.db2.gz MXPISBCUPLRZSW-UHFFFAOYSA-N 0 0 261.799 3.648 20 10 CHCDRN CCOC1CC(CSc2ncc(Cl)s2)C1 ZINC000850000089 1123237127 /nfs/dbraw/zinc/23/71/27/1123237127.db2.gz JAUOGAYYHNPRSD-UHFFFAOYSA-N 0 0 263.815 3.704 20 10 CHCDRN C[C@@H]([NH2+]CC(C)(C)C(C)(F)F)c1ccc(F)cc1[O-] ZINC000696623619 1123245794 /nfs/dbraw/zinc/24/57/94/1123245794.db2.gz ZETZANKPUFEINF-SECBINFHSA-N 0 0 275.314 3.863 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H](C)C1 ZINC000776472629 1123266255 /nfs/dbraw/zinc/26/62/55/1123266255.db2.gz AJJDIXDYMVGPPX-KGLIPLIRSA-N 0 0 275.392 3.567 20 10 CHCDRN CC[C@H](COCC1CC1)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000850494987 1123274807 /nfs/dbraw/zinc/27/48/07/1123274807.db2.gz UTTOFTYDXRJESL-ZBFHGGJFSA-N 0 0 295.398 3.777 20 10 CHCDRN CCC(O)(CC)C(C)(C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000850501205 1123275435 /nfs/dbraw/zinc/27/54/35/1123275435.db2.gz KTZOFTOREKMQDA-GFCCVEGCSA-N 0 0 297.414 3.759 20 10 CHCDRN CC(C)[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000850555098 1123290996 /nfs/dbraw/zinc/29/09/96/1123290996.db2.gz GYYPRSQPFMYDEI-LKFCYVNXSA-N 0 0 269.335 3.756 20 10 CHCDRN CC(C)(C)c1coc(CNCc2cc(Cl)ccc2O)n1 ZINC000895156484 1123311184 /nfs/dbraw/zinc/31/11/84/1123311184.db2.gz WCWQXOLENBGUAQ-UHFFFAOYSA-N 0 0 294.782 3.621 20 10 CHCDRN Cc1cnn(CCCCCSc2nccs2)c1 ZINC000110143446 1123373125 /nfs/dbraw/zinc/37/31/25/1123373125.db2.gz LNKCOEYKEIFHBQ-UHFFFAOYSA-N 0 0 267.423 3.611 20 10 CHCDRN COc1ccc(N(CCC(C)C)CCC(OC)OC)cc1 ZINC000852001226 1123393385 /nfs/dbraw/zinc/39/33/85/1123393385.db2.gz GCPXIKMIRPHLJT-UHFFFAOYSA-N 0 0 295.423 3.557 20 10 CHCDRN CC(C)(C)c1cnc(SCCOC(F)F)s1 ZINC000853017927 1123419858 /nfs/dbraw/zinc/41/98/58/1123419858.db2.gz DDPFTIIXUNDHIL-UHFFFAOYSA-N 0 0 267.366 3.772 20 10 CHCDRN CC(C)c1nc(CN(C)Cc2ccccc2O)cs1 ZINC000111235436 1123432440 /nfs/dbraw/zinc/43/24/40/1123432440.db2.gz 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1123915395 /nfs/dbraw/zinc/91/53/95/1123915395.db2.gz XZTQAGUTWWAEFX-NEPJUHHUSA-N 0 0 295.373 3.929 20 10 CHCDRN Cc1ccnc(NCc2ccc(N3CCSCC3)cc2)c1 ZINC000301630041 1123919356 /nfs/dbraw/zinc/91/93/56/1123919356.db2.gz IJECXGGIVRKBAJ-UHFFFAOYSA-N 0 0 299.443 3.555 20 10 CHCDRN CC(C)(C)c1cnc(Sc2ncccc2[N+](=O)[O-])s1 ZINC000301647184 1123920406 /nfs/dbraw/zinc/92/04/06/1123920406.db2.gz OIVJDVDVHWGXMA-UHFFFAOYSA-N 0 0 295.389 3.895 20 10 CHCDRN CCc1cnc(CN(C)Cc2cccc(CC)c2O)s1 ZINC000848888716 1123921319 /nfs/dbraw/zinc/92/13/19/1123921319.db2.gz AYTYDPJESVSGMY-UHFFFAOYSA-N 0 0 290.432 3.606 20 10 CHCDRN CN(C)c1ccc(CNc2nnc(C(C)(C)C)s2)cc1 ZINC000301681718 1123923038 /nfs/dbraw/zinc/92/30/38/1123923038.db2.gz JXTZDMOGUBQXNF-UHFFFAOYSA-N 0 0 290.436 3.514 20 10 CHCDRN CCCCCC(C)(C)C(=O)N(C)Cc1ccccc1O ZINC000084631233 1129154084 /nfs/dbraw/zinc/15/40/84/1129154084.db2.gz BWLVQGPKYZOXSQ-UHFFFAOYSA-N 0 0 277.408 3.957 20 10 CHCDRN CC/C=C(\F)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000864785688 1123945920 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ZINC001239078756 1131301208 /nfs/dbraw/zinc/30/12/08/1131301208.db2.gz ALZOGGRQUCQUHR-UHFFFAOYSA-N 0 0 266.344 3.588 20 10 CHCDRN COc1cc(C)ccc1NCc1cccc(C)c1O ZINC000124635660 1124800070 /nfs/dbraw/zinc/80/00/70/1124800070.db2.gz MMNARBTWYAAXDS-UHFFFAOYSA-N 0 0 257.333 3.630 20 10 CHCDRN COc1cc(C)ccc1NCc1cccc(Cl)c1O ZINC000124635877 1124800399 /nfs/dbraw/zinc/80/03/99/1124800399.db2.gz OPTRECBXTMFMDQ-UHFFFAOYSA-N 0 0 277.751 3.975 20 10 CHCDRN C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124666719 1124803054 /nfs/dbraw/zinc/80/30/54/1124803054.db2.gz ABNSZYSHHMPSIN-MFKMUULPSA-N 0 0 253.773 3.714 20 10 CHCDRN Cc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])s1 ZINC000124711613 1124806821 /nfs/dbraw/zinc/80/68/21/1124806821.db2.gz GTYVXCYXVQFQCY-UHFFFAOYSA-N 0 0 267.781 3.705 20 10 CHCDRN Cc1cccc(CNc2ccc3c(c2)CCC3)c1O ZINC000124720729 1124808494 /nfs/dbraw/zinc/80/84/94/1124808494.db2.gz VLFYDOKOURJSCM-UHFFFAOYSA-N 0 0 253.345 3.801 20 10 CHCDRN CCC[C@@H](NC(=O)N1Cc2cccc(O)c2C1)C(C)(C)C ZINC000875636155 1124897002 /nfs/dbraw/zinc/89/70/02/1124897002.db2.gz POCJZIPQNGNAMO-OAHLLOKOSA-N 0 0 290.407 3.632 20 10 CHCDRN Cc1ccc(N(C(=O)c2cccc(O)c2O)C2CCC2)cc1 ZINC000923644153 1124920618 /nfs/dbraw/zinc/92/06/18/1124920618.db2.gz BFQMIMSCMGRBSO-UHFFFAOYSA-N 0 0 297.354 3.606 20 10 CHCDRN Cc1cccc(O)c1CNc1cccc(NC(=O)C(C)C)c1 ZINC000876820650 1124981231 /nfs/dbraw/zinc/98/12/31/1124981231.db2.gz WVDWBKSLNYDCDC-UHFFFAOYSA-N 0 0 298.386 3.907 20 10 CHCDRN [O-]c1c(C[NH2+]C2(c3ccc(F)cc3)CC2)ccc(F)c1F ZINC000877022409 1125000163 /nfs/dbraw/zinc/00/01/63/1125000163.db2.gz MYXUNTJTPRJZCP-UHFFFAOYSA-N 0 0 293.288 3.588 20 10 CHCDRN Cc1ccc(CCCC(=O)N(C)c2ccc(N)cc2)s1 ZINC000877077619 1125006908 /nfs/dbraw/zinc/00/69/08/1125006908.db2.gz OVCMMHQFQCWYHM-UHFFFAOYSA-N 0 0 288.416 3.624 20 10 CHCDRN CN(C(=O)CC1CC(c2ccccc2)C1)c1ccc(N)cc1 ZINC000877075826 1125007032 /nfs/dbraw/zinc/00/70/32/1125007032.db2.gz IVXPVVSEWFSHJP-UHFFFAOYSA-N 0 0 294.398 3.816 20 10 CHCDRN 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CCCCN(Cc1ccccc1O)C(=O)c1cc(C)co1 ZINC000879888163 1125239587 /nfs/dbraw/zinc/23/95/87/1125239587.db2.gz ARIWRHFQVJZAGV-UHFFFAOYSA-N 0 0 287.359 3.736 20 10 CHCDRN COc1cccc(CN2C[C@@H](C)Cc3ccccc32)c1O ZINC000211257418 1125297465 /nfs/dbraw/zinc/29/74/65/1125297465.db2.gz HPQCFHIULKPDAM-ZDUSSCGKSA-N 0 0 283.371 3.600 20 10 CHCDRN C[C@H](Nc1nnc(C(C)(C)C)o1)c1ccc(N(C)C)cc1 ZINC000882203820 1125341085 /nfs/dbraw/zinc/34/10/85/1125341085.db2.gz ZHNWUSKHLARPSZ-NSHDSACASA-N 0 0 288.395 3.606 20 10 CHCDRN C[C@H]1CC[C@H](CC(=O)NCCCSc2nccs2)C1 ZINC000129824977 1125351974 /nfs/dbraw/zinc/35/19/74/1125351974.db2.gz ANZNBUVPIQAANM-RYUDHWBXSA-N 0 0 298.477 3.568 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000882881355 1125360121 /nfs/dbraw/zinc/36/01/21/1125360121.db2.gz JMXPVFLLOAGPAZ-CQSZACIVSA-N 0 0 295.354 3.973 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000882881667 1125360141 /nfs/dbraw/zinc/36/01/41/1125360141.db2.gz YEAOBOOTCHWDTN-MRXNPFEDSA-N 0 0 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1129642240 /nfs/dbraw/zinc/64/22/40/1129642240.db2.gz HEADENPQDHXHAQ-UHFFFAOYSA-N 0 0 272.348 3.688 20 10 CHCDRN CC(C)C1([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000379735751 1129652451 /nfs/dbraw/zinc/65/24/51/1129652451.db2.gz JUQCOQWESGMHNT-UHFFFAOYSA-N 0 0 274.191 3.977 20 10 CHCDRN Cc1nc(NCCCSc2nccs2)sc1C ZINC000746460823 1129668157 /nfs/dbraw/zinc/66/81/57/1129668157.db2.gz KVNKHBRXYNUOPZ-UHFFFAOYSA-N 0 0 285.463 3.811 20 10 CHCDRN Cc1ccc(C(=O)N(C)Cc2ccccc2O)cc1Cl ZINC000103190107 1129719721 /nfs/dbraw/zinc/71/97/21/1129719721.db2.gz QGSJYEIDTPQACF-UHFFFAOYSA-N 0 0 289.762 3.626 20 10 CHCDRN CCOc1ccccc1OCCNc1ccccc1NC ZINC001169794126 1129756679 /nfs/dbraw/zinc/75/66/79/1129756679.db2.gz CXFWXHFQMNYGKU-UHFFFAOYSA-N 0 0 286.375 3.618 20 10 CHCDRN Cc1cnc(NCc2ccc(O)c(O)c2)c2ccccc12 ZINC001169990203 1129847506 /nfs/dbraw/zinc/84/75/06/1129847506.db2.gz BWSSNCDUVQSNNK-UHFFFAOYSA-N 0 0 280.327 3.567 20 10 CHCDRN CCC[C@H](C)[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768339721 1129852051 /nfs/dbraw/zinc/85/20/51/1129852051.db2.gz VESYQSOYYUUJCS-VIFPVBQESA-N 0 0 286.759 3.574 20 10 CHCDRN COc1ccc(N(C[C@H]2CCCOC2)[C@H](C)C2CC2)cc1 ZINC000768542296 1129861132 /nfs/dbraw/zinc/86/11/32/1129861132.db2.gz URVPVZPSPGBYBZ-HUUCEWRRSA-N 0 0 289.419 3.727 20 10 CHCDRN COc1ccc(N(C[C@H]2CCCOC2)[C@@H](C)C2CC2)cc1 ZINC000768542297 1129862547 /nfs/dbraw/zinc/86/25/47/1129862547.db2.gz URVPVZPSPGBYBZ-LSDHHAIUSA-N 0 0 289.419 3.727 20 10 CHCDRN CC1=Cc2cccc(NCc3ccc(O)c(O)c3)c2C1 ZINC001169995307 1129872955 /nfs/dbraw/zinc/87/29/55/1129872955.db2.gz YGGRELBPTNZODZ-UHFFFAOYSA-N 0 0 267.328 3.669 20 10 CHCDRN Oc1ccc(CNc2cccc(-c3cccnc3)c2)cc1O ZINC001169995165 1129875324 /nfs/dbraw/zinc/87/53/24/1129875324.db2.gz RECZWPWBPKMZNY-UHFFFAOYSA-N 0 0 292.338 3.772 20 10 CHCDRN Oc1ccc(CNc2cc(Cl)cc3oncc32)cc1O ZINC001169996882 1129876442 /nfs/dbraw/zinc/87/64/42/1129876442.db2.gz JQBNBLOAHUGUKV-UHFFFAOYSA-N 0 0 290.706 3.505 20 10 CHCDRN CC[C@@H](NC1(C(F)F)CC1)c1cc(Cl)ccc1O ZINC000800501939 1129881542 /nfs/dbraw/zinc/88/15/42/1129881542.db2.gz IAJOSFBJEJNPQX-SNVBAGLBSA-N 0 0 275.726 3.884 20 10 CHCDRN CC(C)(C[NH2+]Cc1c([O-])ccc(Cl)c1F)C(F)(F)F ZINC000800888512 1129896441 /nfs/dbraw/zinc/89/64/41/1129896441.db2.gz GLDDIUSPFVHFEO-UHFFFAOYSA-N 0 0 299.695 3.863 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccsc1 ZINC000800987368 1129902703 /nfs/dbraw/zinc/90/27/03/1129902703.db2.gz WSBBHYQLJHIHNN-ZJUUUORDSA-N 0 0 292.360 3.774 20 10 CHCDRN Oc1cccc(Cl)c1CN1CCc2c(F)cccc2C1 ZINC000769388154 1129905526 /nfs/dbraw/zinc/90/55/26/1129905526.db2.gz RAJHWQVTRGSMIW-UHFFFAOYSA-N 0 0 291.753 3.743 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccoc1C ZINC000801549889 1129926620 /nfs/dbraw/zinc/92/66/20/1129926620.db2.gz FMPSYYHPQZOETC-UHFFFAOYSA-N 0 0 287.359 3.736 20 10 CHCDRN COc1cccc(NCc2cc(Cl)cc(F)c2O)c1F ZINC000770665909 1129954339 /nfs/dbraw/zinc/95/43/39/1129954339.db2.gz GYKLGESALORYME-UHFFFAOYSA-N 0 0 299.704 3.945 20 10 CHCDRN Cc1cccc(C2=CCN(C(=O)C3=CC(=O)CS3)CC2)c1 ZINC000771398833 1129979281 /nfs/dbraw/zinc/97/92/81/1129979281.db2.gz OWQDFMRIIXQRGR-UHFFFAOYSA-N 0 0 299.395 3.692 20 10 CHCDRN CCC[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC1CC1 ZINC000771925056 1129994849 /nfs/dbraw/zinc/99/48/49/1129994849.db2.gz VIHAXROWJDZJTI-UHFFFAOYSA-N 0 0 298.770 3.576 20 10 CHCDRN Cc1cncc(/C=C/C(=O)N(C)c2cc(C)cc(C)c2)c1 ZINC000772072144 1130004449 /nfs/dbraw/zinc/00/44/49/1130004449.db2.gz XFCROXUGUNEHPK-AATRIKPKSA-N 0 0 280.371 3.683 20 10 CHCDRN Cc1cncc(/C=C\C(=O)N(CC2CC2)c2ccccc2)c1 ZINC000772165999 1130009329 /nfs/dbraw/zinc/00/93/29/1130009329.db2.gz IQLNHNUJENXVGL-KTKRTIGZSA-N 0 0 292.382 3.846 20 10 CHCDRN Cc1nc(N[C@@H](C)c2ccc(N(C)C)cc2)sc1C ZINC000772299730 1130015722 /nfs/dbraw/zinc/01/57/22/1130015722.db2.gz GSUKHPQELJAPLD-NSHDSACASA-N 0 0 275.421 3.999 20 10 CHCDRN CCc1cc(N[C@@H](C)c2ccc(N(C)C)cc2)nc(C)n1 ZINC000772294785 1130016220 /nfs/dbraw/zinc/01/62/20/1130016220.db2.gz FEWJKUZEJQCMBT-LBPRGKRZSA-N 0 0 284.407 3.587 20 10 CHCDRN CC(C)(C[NH2+]Cc1cccc(Cl)c1[O-])C(F)(F)F ZINC000802653555 1130026175 /nfs/dbraw/zinc/02/61/75/1130026175.db2.gz XQMMTJUJZDPZIL-UHFFFAOYSA-N 0 0 281.705 3.724 20 10 CHCDRN O=C(NCc1ccccc1O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000802777575 1130036839 /nfs/dbraw/zinc/03/68/39/1130036839.db2.gz NSQMGCIVDBECOP-CWRNSKLLSA-N 0 0 287.403 3.615 20 10 CHCDRN O=C(NCc1ccccc1O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000802777578 1130037137 /nfs/dbraw/zinc/03/71/37/1130037137.db2.gz NSQMGCIVDBECOP-VNQPRFMTSA-N 0 0 287.403 3.615 20 10 CHCDRN CCNc1ccccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000902704511 1130041979 /nfs/dbraw/zinc/04/19/79/1130041979.db2.gz CGDHCNJLIJEENZ-UHFFFAOYSA-N 0 0 290.794 3.767 20 10 CHCDRN COc1ccc(N[C@H]2C[C@@H](C)c3c2c(O)ccc3F)cn1 ZINC000785567141 1130042167 /nfs/dbraw/zinc/04/21/67/1130042167.db2.gz MDAOBCXZKGWIDW-SKDRFNHKSA-N 0 0 288.322 3.595 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)c1csc2ccccc12 ZINC000383728967 1130070053 /nfs/dbraw/zinc/07/00/53/1130070053.db2.gz LRNATVRIWQDZEU-UHFFFAOYSA-N 0 0 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YCPFOCYGALUTIN-FLRBZUCHSA-N 0 0 295.373 3.975 20 10 CHCDRN Cc1ccc(C)c(CN2CCC[C@H](F)C(F)(F)C2)c1O ZINC001140178441 1131673464 /nfs/dbraw/zinc/67/34/64/1131673464.db2.gz LRGPHDIRMNHTMV-ZDUSSCGKSA-N 0 0 287.325 3.578 20 10 CHCDRN CCC[C@H]1CC[C@H](C(=O)NCc2ccccc2O)CC1 ZINC001144642974 1131675616 /nfs/dbraw/zinc/67/56/16/1131675616.db2.gz VYSPMAZHSYNUBZ-HDJSIYSDSA-N 0 0 275.392 3.615 20 10 CHCDRN CSc1cccnc1NCc1ccc(N(C)C)c(F)c1 ZINC000846061130 1131686254 /nfs/dbraw/zinc/68/62/54/1131686254.db2.gz GHNAMLAYJFAJFB-UHFFFAOYSA-N 0 0 291.395 3.621 20 10 CHCDRN COc1cccc([C@@H](C)N[C@@H](C(C)C)C(F)(F)F)c1O ZINC000846167053 1131693065 /nfs/dbraw/zinc/69/30/65/1131693065.db2.gz RXKMBVORGKSFFY-RNCFNFMXSA-N 0 0 291.313 3.638 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)COCC1CC1)c1cccc(Cl)c1[O-] ZINC000846205419 1131696112 /nfs/dbraw/zinc/69/61/12/1131696112.db2.gz PNCLDDXZBJSNGH-ABAIWWIYSA-N 0 0 297.826 3.901 20 10 CHCDRN Cc1cccc2c1CN(Cc1c(O)cccc1Cl)C2 ZINC001140337865 1131702361 /nfs/dbraw/zinc/70/23/61/1131702361.db2.gz JXJUYBSADANVGZ-UHFFFAOYSA-N 0 0 273.763 3.870 20 10 CHCDRN CC[C@H](Nc1cc(COC)ccn1)c1ccc(C)cc1O ZINC000846211339 1131704099 /nfs/dbraw/zinc/70/40/99/1131704099.db2.gz DGINMBBVJTYCDB-HNNXBMFYSA-N 0 0 286.375 3.805 20 10 CHCDRN CC[C@H](N[C@H]1C[C@H](C)c2c1c(O)ccc2F)C(F)F ZINC000834827729 1131707109 /nfs/dbraw/zinc/70/71/09/1131707109.db2.gz LEPHXYCCZZYRNQ-HGNGGELXSA-N 0 0 273.298 3.713 20 10 CHCDRN CC1=C(C)C[C@@H](C(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846476245 1131711400 /nfs/dbraw/zinc/71/14/00/1131711400.db2.gz KKQBPHOCSYRXCC-LBPRGKRZSA-N 0 0 293.794 3.798 20 10 CHCDRN CCCCCCC(=O)NCc1cc(Cl)ccc1O ZINC000846473711 1131711472 /nfs/dbraw/zinc/71/14/72/1131711472.db2.gz VRLZIWYUYCQDFO-UHFFFAOYSA-N 0 0 269.772 3.632 20 10 CHCDRN CCN(C)c1ccc([C@@H](C)Nc2cccc(CCO)c2)cc1 ZINC000834907011 1131729694 /nfs/dbraw/zinc/72/96/94/1131729694.db2.gz JSOBAHDEYVURAM-OAHLLOKOSA-N 0 0 298.430 3.851 20 10 CHCDRN CC[C@@H](Nc1cccc(CCO)c1)c1ccc(F)cc1O ZINC000834913418 1131732036 /nfs/dbraw/zinc/73/20/36/1131732036.db2.gz PHVQLWDOPSGVGF-MRXNPFEDSA-N 0 0 289.350 3.629 20 10 CHCDRN CC[C@@H]([NH2+]CCOC(C)(C)CC)c1ccc(F)cc1[O-] ZINC000834916423 1131733841 /nfs/dbraw/zinc/73/38/41/1131733841.db2.gz YGKXTKUHIUJFKF-CQSZACIVSA-N 0 0 283.387 3.777 20 10 CHCDRN C[N@H+](Cc1ccc(Cl)cc1[O-])C1CCCCC1 ZINC001140461648 1131749384 /nfs/dbraw/zinc/74/93/84/1131749384.db2.gz OYBZEKQGVRKFLG-UHFFFAOYSA-N 0 0 253.773 3.810 20 10 CHCDRN Oc1cc(Cl)ccc1CN1CCCC[C@H]1C(F)(F)F ZINC001140466212 1131752655 /nfs/dbraw/zinc/75/26/55/1131752655.db2.gz BGGMYVHSBHUAAL-LBPRGKRZSA-N 0 0 293.716 3.962 20 10 CHCDRN Cc1noc(C)c1CN(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835026023 1131758858 /nfs/dbraw/zinc/75/88/58/1131758858.db2.gz PXZLTWLLHDKMRM-VOTSOKGWSA-N 0 0 299.418 3.503 20 10 CHCDRN Cc1noc(C)c1CN(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835026020 1131758884 /nfs/dbraw/zinc/75/88/84/1131758884.db2.gz PXZLTWLLHDKMRM-SREVYHEPSA-N 0 0 299.418 3.503 20 10 CHCDRN CN(C)c1ccc(/C=C\CNc2ccc3c(c2)COC3)cc1 ZINC000835042415 1131762487 /nfs/dbraw/zinc/76/24/87/1131762487.db2.gz VGPUKOCQDKBWSQ-ARJAWSKDSA-N 0 0 294.398 3.908 20 10 CHCDRN CN(C)c1ccc(O[C@@H]2CCCc3cccnc32)cc1 ZINC001227939966 1131772227 /nfs/dbraw/zinc/77/22/27/1131772227.db2.gz HAEGNTUUIOJMQY-MRXNPFEDSA-N 0 0 268.360 3.604 20 10 CHCDRN CN(C)c1ccc(O[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC001227939082 1131772295 /nfs/dbraw/zinc/77/22/95/1131772295.db2.gz KYOGDJIGGVWJNL-LJQANCHMSA-N 0 0 296.414 3.800 20 10 CHCDRN COC(=O)c1ccc([C@@H](C)Oc2ccc(N(C)C)cc2)cc1 ZINC001227940896 1131772949 /nfs/dbraw/zinc/77/29/49/1131772949.db2.gz PIWBTGNVETVIMJ-CYBMUJFWSA-N 0 0 299.370 3.679 20 10 CHCDRN Cc1cc(C)c(CNc2ncc3ccccc3n2)c(O)c1 ZINC001160808511 1131778259 /nfs/dbraw/zinc/77/82/59/1131778259.db2.gz UZHJQFAKDBOEPG-UHFFFAOYSA-N 0 0 279.343 3.564 20 10 CHCDRN C[C@H](Oc1cccc2c1C(=O)c1ccccc1C2=O)C1CC1 ZINC001228072605 1131801805 /nfs/dbraw/zinc/80/18/05/1131801805.db2.gz CQQCDVQXYSLWFL-NSHDSACASA-N 0 0 292.334 3.639 20 10 CHCDRN CC[N@H+](Cc1cccs1)Cc1c([O-])cc(F)cc1F ZINC001140584192 1131808983 /nfs/dbraw/zinc/80/89/83/1131808983.db2.gz HTLAXQQEBVPCFW-UHFFFAOYSA-N 0 0 283.343 3.754 20 10 CHCDRN CC1(C)CCC[C@@H]1C(=O)NCCCSc1nccs1 ZINC000772981197 1131826912 /nfs/dbraw/zinc/82/69/12/1131826912.db2.gz GAQKOYJKJWPXPB-LLVKDONJSA-N 0 0 298.477 3.568 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)CC/C=C/c2ccccc2)c1 ZINC001147956219 1131839770 /nfs/dbraw/zinc/83/97/70/1131839770.db2.gz AYKJSUIWIUUYRV-WEVVVXLNSA-N 0 0 295.382 3.810 20 10 CHCDRN C[C@H](NC(=O)[C@@H]1CCCC1(C)C)c1ccc(N(C)C)cc1 ZINC000773008591 1131917739 /nfs/dbraw/zinc/91/77/39/1131917739.db2.gz GQJAUIOXGRKTSY-BBRMVZONSA-N 0 0 288.435 3.756 20 10 CHCDRN Cc1cccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773015481 1131920320 /nfs/dbraw/zinc/92/03/20/1131920320.db2.gz OXYLNWAHKAGIGR-CQSZACIVSA-N 0 0 282.387 3.552 20 10 CHCDRN C[C@@H](NC(=O)[C@@H](C)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000773019789 1131920791 /nfs/dbraw/zinc/92/07/91/1131920791.db2.gz ZWBLUCJXCJTGGV-UONOGXRCSA-N 0 0 288.435 3.756 20 10 CHCDRN CC[C@@H](C)C[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC001228756974 1131951349 /nfs/dbraw/zinc/95/13/49/1131951349.db2.gz PLBBYFYRKIAYRU-JHJVBQTASA-N 0 0 278.396 3.577 20 10 CHCDRN Cc1ccc(NCc2cc3ccccc3cc2O)nc1 ZINC001171399512 1131966598 /nfs/dbraw/zinc/96/65/98/1131966598.db2.gz ISOHFEASGBSZJC-UHFFFAOYSA-N 0 0 264.328 3.861 20 10 CHCDRN COc1ccncc1NCc1cc2ccccc2cc1O ZINC001171405530 1131971949 /nfs/dbraw/zinc/97/19/49/1131971949.db2.gz ZFMXGCFKNJLTAJ-UHFFFAOYSA-N 0 0 280.327 3.561 20 10 CHCDRN COc1cccc([C@@H]2CC[N@H+](Cc3ccc(C)cc3O)C2)c1 ZINC001140954458 1131972211 /nfs/dbraw/zinc/97/22/11/1131972211.db2.gz SGGYKGAGBDFLAA-MRXNPFEDSA-N 0 0 297.398 3.699 20 10 CHCDRN C[C@@H](NC(=O)NCCC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773185067 1131978460 /nfs/dbraw/zinc/97/84/60/1131978460.db2.gz BHVUHKDZDQOXTF-CYBMUJFWSA-N 0 0 291.439 3.549 20 10 CHCDRN CC(C)C(=O)Nc1cccc(NCc2ccccc2O)c1 ZINC000037084983 1131991302 /nfs/dbraw/zinc/99/13/02/1131991302.db2.gz WWEKZXLYYFHIKU-UHFFFAOYSA-N 0 0 284.359 3.599 20 10 CHCDRN C[C@@H](NC(=O)C1=CC[C@@H](C)CC1)c1ccc(N(C)C)cc1 ZINC000836782663 1131992637 /nfs/dbraw/zinc/99/26/37/1131992637.db2.gz CFZOOPFOLRNWQG-ZIAGYGMSSA-N 0 0 286.419 3.676 20 10 CHCDRN CN(C)c1c(Cl)cccc1NCc1ccccc1O ZINC000037127146 1132000254 /nfs/dbraw/zinc/00/02/54/1132000254.db2.gz UPTRPOWSEPZFOS-UHFFFAOYSA-N 0 0 276.767 3.724 20 10 CHCDRN C[C@H](NC(=O)N[C@H]1[C@H](C)CCC[C@@H]1C)c1ccccc1O ZINC001230051254 1132150510 /nfs/dbraw/zinc/15/05/10/1132150510.db2.gz XWWYBXYNSFXZNL-RSUWNVLCSA-N 0 0 290.407 3.577 20 10 CHCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CC(C)(C)C ZINC000839914082 1132239485 /nfs/dbraw/zinc/23/94/85/1132239485.db2.gz QHHIOANZYAQMAB-AWEZNQCLSA-N 0 0 290.451 3.544 20 10 CHCDRN CC[C@H]([NH2+]Cc1cnc(C)o1)c1cccc(Cl)c1[O-] ZINC000840794138 1132287820 /nfs/dbraw/zinc/28/78/20/1132287820.db2.gz DGJDNKCODROXBL-ZDUSSCGKSA-N 0 0 280.755 3.583 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1C[C@@H](OC)C12CCC2)c1ccc(F)cc1[O-] ZINC000840807214 1132288930 /nfs/dbraw/zinc/28/89/30/1132288930.db2.gz RGLDLWDNWVKPOD-NUEKZKHPSA-N 0 0 293.382 3.530 20 10 CHCDRN CC(F)(F)c1ccc(Nc2cccc(O)c2O)cc1 ZINC001212676096 1132294293 /nfs/dbraw/zinc/29/42/93/1132294293.db2.gz FRHGUBZQVMKEJG-UHFFFAOYSA-N 0 0 265.259 3.953 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)[C@@](C)(OC)C1CC1)c1ccc(F)cc1[O-] ZINC000840858658 1132295637 /nfs/dbraw/zinc/29/56/37/1132295637.db2.gz FURVOAHOPLMRLP-XNJJOIOASA-N 0 0 295.398 3.776 20 10 CHCDRN C[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])CC(F)(F)F ZINC000840873041 1132299547 /nfs/dbraw/zinc/29/95/47/1132299547.db2.gz PMLORSZJMOLRKD-HTQZYQBOSA-N 0 0 297.267 3.910 20 10 CHCDRN Cc1cc(O)c(CNc2cnn(CC(C)C)c2)c(Cl)c1 ZINC000840907687 1132308891 /nfs/dbraw/zinc/30/88/91/1132308891.db2.gz PKDPOIUDKBBDAJ-UHFFFAOYSA-N 0 0 293.798 3.819 20 10 CHCDRN CCc1cnc(CNCc2c(O)cc(C)cc2Cl)s1 ZINC000840903437 1132308905 /nfs/dbraw/zinc/30/89/05/1132308905.db2.gz COVUXJJGZRGZNT-UHFFFAOYSA-N 0 0 296.823 3.663 20 10 CHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CC1(C)C ZINC001142061131 1132311268 /nfs/dbraw/zinc/31/12/68/1132311268.db2.gz KGANTKYTBXYNHU-ZDUSSCGKSA-N 0 0 288.416 3.684 20 10 CHCDRN C[C@@H](C[NH2+]Cc1c([O-])ccc(Cl)c1F)CC(F)(F)F ZINC000840963238 1132314042 /nfs/dbraw/zinc/31/40/42/1132314042.db2.gz JHSODNULRUEUBE-SSDOTTSWSA-N 0 0 299.695 3.863 20 10 CHCDRN CC(C)c1ccccc1NC(=O)NCCc1ccc(N)cc1 ZINC000841005287 1132319494 /nfs/dbraw/zinc/31/94/94/1132319494.db2.gz KWTFXISDKFOGEG-UHFFFAOYSA-N 0 0 297.402 3.756 20 10 CHCDRN Nc1ccc(NCc2cnc(C3CCC3)s2)cc1 ZINC000841040661 1132323555 /nfs/dbraw/zinc/32/35/55/1132323555.db2.gz WSSSRLVJGRXEDE-UHFFFAOYSA-N 0 0 259.378 3.605 20 10 CHCDRN COc1cc(CNc2ccc(N)cc2)ccc1OC(C)C ZINC000841040263 1132323595 /nfs/dbraw/zinc/32/35/95/1132323595.db2.gz MWJMZZOIGGLCSA-UHFFFAOYSA-N 0 0 286.375 3.677 20 10 CHCDRN CC1(c2ccccc2)CC(NC(=O)Nc2ccc(N)cc2)C1 ZINC000841298278 1132342701 /nfs/dbraw/zinc/34/27/01/1132342701.db2.gz YYWLGRYECWHJAK-UHFFFAOYSA-N 0 0 295.386 3.511 20 10 CHCDRN CC(C)CC1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841297440 1132343033 /nfs/dbraw/zinc/34/30/33/1132343033.db2.gz FEEKIUGZKCUVCO-UHFFFAOYSA-N 0 0 275.396 3.559 20 10 CHCDRN CC(C)[C@@H](CNC(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000841302020 1132343923 /nfs/dbraw/zinc/34/39/23/1132343923.db2.gz INSALSGHESDABJ-QGZVFWFLSA-N 0 0 297.402 3.830 20 10 CHCDRN CCC[C@@]1(C)CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841301078 1132344623 /nfs/dbraw/zinc/34/46/23/1132344623.db2.gz ZGEWJEGTRIFMSI-INIZCTEOSA-N 0 0 275.396 3.703 20 10 CHCDRN CCC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841300564 1132344769 /nfs/dbraw/zinc/34/47/69/1132344769.db2.gz SAGWMMSJOVCEOH-IUODEOHRSA-N 0 0 275.396 3.749 20 10 CHCDRN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)Nc1ccc(N)cc1 ZINC000841300778 1132344875 /nfs/dbraw/zinc/34/48/75/1132344875.db2.gz UKXPVHYSPVCJSB-ZFWWWQNUSA-N 0 0 295.386 3.679 20 10 CHCDRN Cc1cc(/C=C2\SC(=S)N(C3CCC3)C2=O)cs1 ZINC000841499044 1132368856 /nfs/dbraw/zinc/36/88/56/1132368856.db2.gz YPOHLUDNGQEZKY-WDZFZDKYSA-N 0 0 295.454 3.810 20 10 CHCDRN Cc1cc(O)c(C[N@H+](C)Cc2ccccc2)cc1Cl ZINC001231868950 1132384499 /nfs/dbraw/zinc/38/44/99/1132384499.db2.gz IRHLGBDXHPRRKH-UHFFFAOYSA-N 0 0 275.779 3.986 20 10 CHCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@H](F)CC2)cc1Cl ZINC001231868660 1132385182 /nfs/dbraw/zinc/38/51/82/1132385182.db2.gz VXIXPTNGMULSBJ-LBPRGKRZSA-N 0 0 271.763 3.678 20 10 CHCDRN C[C@@H]([NH2+]CCc1ccccc1O)c1ccc(Cl)cc1[O-] ZINC000841747006 1132388880 /nfs/dbraw/zinc/38/88/80/1132388880.db2.gz MQMXHECMDRMSRY-LLVKDONJSA-N 0 0 291.778 3.645 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1[O-] ZINC000841747551 1132389218 /nfs/dbraw/zinc/38/92/18/1132389218.db2.gz CLCOWCLOJCMSSL-CMPLNLGQSA-N 0 0 283.799 3.654 20 10 CHCDRN C[C@H]([NH2+]CC1(CCO)CCCC1)c1ccc(Cl)cc1[O-] ZINC000841756638 1132392027 /nfs/dbraw/zinc/39/20/27/1132392027.db2.gz ZFZZXTPLEXWNRE-LBPRGKRZSA-N 0 0 297.826 3.639 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000841755612 1132392173 /nfs/dbraw/zinc/39/21/73/1132392173.db2.gz KHOGTDDHPJLKAL-WRWGMCAJSA-N 0 0 283.799 3.510 20 10 CHCDRN CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841756611 1132392815 /nfs/dbraw/zinc/39/28/15/1132392815.db2.gz YTJNTHIUQNNHNN-YUSALJHKSA-N 0 0 285.840 3.980 20 10 CHCDRN CC[C@H](CSC)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841752270 1132392971 /nfs/dbraw/zinc/39/29/71/1132392971.db2.gz RZECZPFSEPMZTK-MWLCHTKSSA-N 0 0 273.829 3.838 20 10 CHCDRN C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841760717 1132393293 /nfs/dbraw/zinc/39/32/93/1132393293.db2.gz UJVPJNKERJKOPP-UTUOFQBUSA-N 0 0 283.799 3.511 20 10 CHCDRN C[C@@H](Nc1cccc(CCO)c1)c1ccc(Cl)cc1O ZINC000841758030 1132393974 /nfs/dbraw/zinc/39/39/74/1132393974.db2.gz RFCRPPZHUCZCNG-LLVKDONJSA-N 0 0 291.778 3.754 20 10 CHCDRN Cc1cncc(COc2ccc(N3CCCC3)cc2)c1 ZINC000842033992 1132404734 /nfs/dbraw/zinc/40/47/34/1132404734.db2.gz LWPJBOKCJNVRFS-UHFFFAOYSA-N 0 0 268.360 3.569 20 10 CHCDRN CN(C)c1ccc(OC[C@@H]2CCC(F)(F)C2)cc1 ZINC000842042936 1132404824 /nfs/dbraw/zinc/40/48/24/1132404824.db2.gz BSNUVKNQIYVUJW-LLVKDONJSA-N 0 0 255.308 3.567 20 10 CHCDRN Nc1ccc(Nc2cccc(C(=O)C(F)(F)F)c2)cc1 ZINC001203344423 1132406599 /nfs/dbraw/zinc/40/65/99/1132406599.db2.gz HUGKKOVXWKLTKZ-UHFFFAOYSA-N 0 0 280.249 3.757 20 10 CHCDRN Cc1nocc1Nc1ccccc1C(=O)c1ccccc1 ZINC001212721508 1132469844 /nfs/dbraw/zinc/46/98/44/1132469844.db2.gz ANRJODHWXHYJKY-UHFFFAOYSA-N 0 0 278.311 3.958 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1cccc(Cl)c1[O-] ZINC000842928367 1132477382 /nfs/dbraw/zinc/47/73/82/1132477382.db2.gz IZFRMKDAKBRONE-ICCXJUOJSA-N 0 0 285.840 3.980 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000842930022 1132477808 /nfs/dbraw/zinc/47/78/08/1132477808.db2.gz RONWXWMBIGYYSU-AUTRQRHGSA-N 0 0 271.813 3.590 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000842930026 1132478016 /nfs/dbraw/zinc/47/80/16/1132478016.db2.gz RONWXWMBIGYYSU-SBMIAAHKSA-N 0 0 271.813 3.590 20 10 CHCDRN CC(C)=C[C@@H]1[C@@H](c2nc(Cc3ccc(N)cc3)no2)C1(C)C ZINC000843158942 1132500026 /nfs/dbraw/zinc/50/00/26/1132500026.db2.gz IUKXYTHEAYLJAX-ZBFHGGJFSA-N 0 0 297.402 3.948 20 10 CHCDRN Nc1ccc(Cc2noc(-c3sccc3C3CC3)n2)cc1 ZINC000843160782 1132500327 /nfs/dbraw/zinc/50/03/27/1132500327.db2.gz IPLIASWAHQYCCH-UHFFFAOYSA-N 0 0 297.383 3.849 20 10 CHCDRN C/C(=C\c1nc(Cc2ccc(N)cc2)no1)C(C)(C)C ZINC000843160422 1132500971 /nfs/dbraw/zinc/50/09/71/1132500971.db2.gz XZJDHJZOWVMHSG-PKNBQFBNSA-N 0 0 271.364 3.692 20 10 CHCDRN CCC1(C(=O)N[C@H](C)c2ccccc2O)CCCCC1 ZINC001151886206 1132574452 /nfs/dbraw/zinc/57/44/52/1132574452.db2.gz ZKFLBAULOGEPDS-CYBMUJFWSA-N 0 0 275.392 3.930 20 10 CHCDRN CCCCC[C@@H](C(=O)NCc1cc(O)ccc1O)C(C)C ZINC001153885898 1132602616 /nfs/dbraw/zinc/60/26/16/1132602616.db2.gz RNGLXTGVIXULBS-OAHLLOKOSA-N 0 0 293.407 3.567 20 10 CHCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001233332249 1132603105 /nfs/dbraw/zinc/60/31/05/1132603105.db2.gz FCHKYGZZVGWHNM-CYBMUJFWSA-N 0 0 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Nc1ccc(CCc2ccc(NC3=CCCOC3)cc2)cc1 ZINC001216510281 1134913411 /nfs/dbraw/zinc/91/34/11/1134913411.db2.gz MEWKYFLASDQZAW-UHFFFAOYSA-N 0 0 294.398 3.770 20 10 CHCDRN O=C1C=CC=CC1=NNc1ccccc1O[C@H]1C[C@H](O)C1 ZINC001218360631 1135095030 /nfs/dbraw/zinc/09/50/30/1135095030.db2.gz PIJKBZSMEPJHLB-WFMRDXOLSA-N 0 0 284.315 3.710 20 10 CHCDRN C[C@@H](NC(=O)NC[C@H]1CCC[C@H](C)C1)c1ccccc1O ZINC001221467939 1135174670 /nfs/dbraw/zinc/17/46/70/1135174670.db2.gz ZWZFTSVZZJCEAD-MJBXVCDLSA-N 0 0 290.407 3.579 20 10 CHCDRN O=C1C=CC(=NNc2ccccn2)C(OC[C@H]2CCCO2)=C1 ZINC001227488265 1135840300 /nfs/dbraw/zinc/84/03/00/1135840300.db2.gz FHODYYDFLPQVFF-NIVDNSEKSA-N 0 0 299.330 3.760 20 10 CHCDRN CC[C@H](Nc1ccccc1OC)c1ccccc1O ZINC000019902001 170914136 /nfs/dbraw/zinc/91/41/36/170914136.db2.gz NKYOIVZIYDPUDQ-ZDUSSCGKSA-N 0 0 257.333 3.964 20 10 CHCDRN COc1ccc(O)c(CNc2cc(C)ccc2C)c1 ZINC000020092819 170991863 /nfs/dbraw/zinc/99/18/63/170991863.db2.gz NGVDBJNFDGFURE-UHFFFAOYSA-N 0 0 257.333 3.630 20 10 CHCDRN 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CC[C@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000077258349 260167042 /nfs/dbraw/zinc/16/70/42/260167042.db2.gz CTHFDBNZQLTAIO-INIZCTEOSA-N 0 0 283.371 3.544 20 10 CHCDRN Cc1ccc(C(C)(C)C(=O)N(C)Cc2ccccc2O)cc1 ZINC000136952263 260930236 /nfs/dbraw/zinc/93/02/36/260930236.db2.gz ADPCLYUTNIUHIH-UHFFFAOYSA-N 0 0 297.398 3.637 20 10 CHCDRN CC(C)(C)c1cnc(SCC(=O)N2CCCCC2)s1 ZINC000164340930 261348757 /nfs/dbraw/zinc/34/87/57/261348757.db2.gz BRAFLOZMLPZTQR-UHFFFAOYSA-N 0 0 298.477 3.545 20 10 CHCDRN CC(C)(C)c1cnc(SC[C@@H]2CCOC2)s1 ZINC000177129901 261687879 /nfs/dbraw/zinc/68/78/79/261687879.db2.gz PXCWKTSOUCIWAB-SECBINFHSA-N 0 0 257.424 3.569 20 10 CHCDRN CCn1cc(N[C@H](C)c2cc3c(cc2O)CCCC3)cn1 ZINC000186356842 262090496 /nfs/dbraw/zinc/09/04/96/262090496.db2.gz YACWZZDGMOEWQI-GFCCVEGCSA-N 0 0 285.391 3.661 20 10 CHCDRN CSc1cccc(N(C)C(=O)/C=C\c2cncs2)c1 ZINC000493454720 262176607 /nfs/dbraw/zinc/17/66/07/262176607.db2.gz QPHMYPUJPMITTP-SREVYHEPSA-N 0 0 290.413 3.541 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cccc(Cl)c1[O-] ZINC000367912640 267126808 /nfs/dbraw/zinc/12/68/08/267126808.db2.gz RCICSKLFBORHAQ-LZWOXQAQSA-N 0 0 295.810 3.654 20 10 CHCDRN Cc1nnc([C@H](C)N[C@H](C)c2cc(Cl)ccc2O)s1 ZINC000274273975 328210607 /nfs/dbraw/zinc/21/06/07/328210607.db2.gz XBSCIZOHKHYCDB-SFYZADRCSA-N 0 0 297.811 3.617 20 10 CHCDRN CC[C@H]([NH2+]CC[C@H]1CCCOC1)c1cccc(Cl)c1[O-] ZINC000527927985 330296853 /nfs/dbraw/zinc/29/68/53/330296853.db2.gz SONNSIIGUYVCJN-DOMZBBRYSA-N 0 0 297.826 3.903 20 10 CHCDRN Cc1ccc(O)c([C@H](C)Nc2cccc3c2OCC3)c1 ZINC000527959199 330297966 /nfs/dbraw/zinc/29/79/66/330297966.db2.gz KVQYNLKYIPQMTK-LBPRGKRZSA-N 0 0 269.344 3.809 20 10 CHCDRN Oc1cccc2c1[C@@H]([NH2+]CC[C@H]1CC=CCC1)CC2 ZINC000527978095 330302264 /nfs/dbraw/zinc/30/22/64/330302264.db2.gz JEMBZTNHWWVMFH-ZFWWWQNUSA-N 0 0 257.377 3.716 20 10 CHCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(F)c(OC)c2)c1 ZINC000160139547 330859750 /nfs/dbraw/zinc/85/97/50/330859750.db2.gz VWOVVGNRQMBIFS-SNVBAGLBSA-N 0 0 291.322 3.722 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@]1(C)CC=CCC1 ZINC000451522944 331032552 /nfs/dbraw/zinc/03/25/52/331032552.db2.gz CCTFRWIDIUQXSC-LJQANCHMSA-N 0 0 296.414 3.849 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)CC1CCCC1 ZINC000471235239 331504381 /nfs/dbraw/zinc/50/43/81/331504381.db2.gz RKFMDBVTHOAMTI-UHFFFAOYSA-N 0 0 284.403 3.683 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)CC(C)C ZINC000471243910 331504717 /nfs/dbraw/zinc/50/47/17/331504717.db2.gz OCBCAWUTBPDNJO-CYBMUJFWSA-N 0 0 286.419 3.785 20 10 CHCDRN Cc1c2ccccc2n(C)c1CN=c1cc(C(C)C)o[nH]1 ZINC000490007912 332076499 /nfs/dbraw/zinc/07/64/99/332076499.db2.gz YIXHZXXSJUFZHK-UHFFFAOYSA-N 0 0 283.375 3.632 20 10 CHCDRN CCC([NH2+]Cc1cccc(F)c1[O-])(C1CC1)C1CC1 ZINC000529646407 333503471 /nfs/dbraw/zinc/50/34/71/333503471.db2.gz ZMBOPXZKYSOFBM-UHFFFAOYSA-N 0 0 263.356 3.590 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CC=CC[C@H]1C ZINC000551631704 334256398 /nfs/dbraw/zinc/25/63/98/334256398.db2.gz KVXGZXPEAIULHU-UKRRQHHQSA-N 0 0 296.414 3.705 20 10 CHCDRN CC[C@@]1(C)C[C@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000471233593 517798568 /nfs/dbraw/zinc/79/85/68/517798568.db2.gz CEWAXNJCKWQBJT-KSSFIOAISA-N 0 0 284.403 3.539 20 10 CHCDRN C/C=C/C=C/C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298315647 518508519 /nfs/dbraw/zinc/50/85/19/518508519.db2.gz DLWOPMOQBNRYFP-BLHCBFLLSA-N 0 0 286.419 3.622 20 10 CHCDRN CC(C)(C)c1cnc(SCc2ccnc(N)c2)s1 ZINC000193092574 519076329 /nfs/dbraw/zinc/07/63/29/519076329.db2.gz MHHXOZKPESGJBZ-UHFFFAOYSA-N 0 0 279.434 3.710 20 10 CHCDRN CC(C)CCN(C(=O)Cc1ccc(N)cc1)C1CCCC1 ZINC000094845786 519648915 /nfs/dbraw/zinc/64/89/15/519648915.db2.gz SNGVCSSPTLSIHA-UHFFFAOYSA-N 0 0 288.435 3.629 20 10 CHCDRN CC(C)[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000264900562 519789860 /nfs/dbraw/zinc/78/98/60/519789860.db2.gz NGZIKDNQYYMYCI-CQSZACIVSA-N 0 0 288.435 3.536 20 10 CHCDRN CC(C)[C@H](CC(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC000297274701 519813543 /nfs/dbraw/zinc/81/35/43/519813543.db2.gz SXPGVJMWRLAFOJ-SFHVURJKSA-N 0 0 296.414 3.715 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)c1cccs1 ZINC000299595847 521689779 /nfs/dbraw/zinc/68/97/79/521689779.db2.gz FNRRHWQIOUPNQQ-UHFFFAOYSA-N 0 0 275.373 3.506 20 10 CHCDRN CCCN(Cc1nccn1C(C)C)Cc1ccccc1O ZINC000263902968 521694668 /nfs/dbraw/zinc/69/46/68/521694668.db2.gz BSMQKSVKMAJERH-UHFFFAOYSA-N 0 0 287.407 3.582 20 10 CHCDRN CC[C@H](C[NH2+][C@H](CC)c1cccc(Cl)c1[O-])OC ZINC000290311673 522202235 /nfs/dbraw/zinc/20/22/35/522202235.db2.gz ZVRCOQCXKMCXHG-ZWNOBZJWSA-N 0 0 271.788 3.511 20 10 CHCDRN CN(C)c1ccc(CNc2nc(C(C)(C)C)ns2)cc1 ZINC000157798160 522215326 /nfs/dbraw/zinc/21/53/26/522215326.db2.gz TUXXMVSIJFYYHW-UHFFFAOYSA-N 0 0 290.436 3.514 20 10 CHCDRN CCc1sc(C(=O)N(C)Cc2ccccc2O)cc1C ZINC000042117722 523066098 /nfs/dbraw/zinc/06/60/98/523066098.db2.gz PGOGPJDMTYFXAS-UHFFFAOYSA-N 0 0 289.400 3.597 20 10 CHCDRN CCn1ncc2ccc(N[C@H]3CCc4cccc(O)c43)cc21 ZINC000296541661 523703222 /nfs/dbraw/zinc/70/32/22/523703222.db2.gz SKBKQQAKEUDTBU-HNNXBMFYSA-N 0 0 293.370 3.861 20 10 CHCDRN COc1ccc(N[C@H](C)c2cc(F)ccc2O)c(OC)c1 ZINC000094616582 524707710 /nfs/dbraw/zinc/70/77/10/524707710.db2.gz PVLWKRMDGHZXCT-SNVBAGLBSA-N 0 0 291.322 3.722 20 10 CHCDRN COc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)CCO3)c1 ZINC000037103816 524769549 /nfs/dbraw/zinc/76/95/49/524769549.db2.gz XVAYFWVYBLESFL-LLVKDONJSA-N 0 0 285.343 3.509 20 10 CHCDRN Cc1cccc([C@H](C)NC(=O)NCc2ccccc2O)c1C ZINC000265296207 524870756 /nfs/dbraw/zinc/87/07/56/524870756.db2.gz ZGVVCEZCALFWFO-AWEZNQCLSA-N 0 0 298.386 3.569 20 10 CHCDRN Cc1ccccc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062747669 525168425 /nfs/dbraw/zinc/16/84/25/525168425.db2.gz PTRDXHAFBIYCEO-GFCCVEGCSA-N 0 0 259.324 3.691 20 10 CHCDRN C[C@@H]([NH2+]CCC(C)(C)O)c1ccc(Cl)c(Cl)c1[O-] ZINC000274757284 525427966 /nfs/dbraw/zinc/42/79/66/525427966.db2.gz CPCXHMSCIOKEHF-MRVPVSSYSA-N 0 0 292.206 3.511 20 10 CHCDRN C[C@@H]([NH2+]CCCCCO)c1cc(Cl)c(Cl)cc1[O-] ZINC000280124944 525432757 /nfs/dbraw/zinc/43/27/57/525432757.db2.gz PUINUHFVXMQSCT-SECBINFHSA-N 0 0 292.206 3.512 20 10 CHCDRN C[C@H](NCc1ccc(N2CCCC2)cc1)c1nccs1 ZINC000070942452 525444822 /nfs/dbraw/zinc/44/48/22/525444822.db2.gz WLLZWONKALZTRY-ZDUSSCGKSA-N 0 0 287.432 3.594 20 10 CHCDRN Cc1ccc([C@@H](C)N(C)C(=O)c2cccc(O)c2O)c(C)c1 ZINC000279540038 525688275 /nfs/dbraw/zinc/68/82/75/525688275.db2.gz LSVCIIGOUYQWKY-CYBMUJFWSA-N 0 0 299.370 3.548 20 10 CHCDRN C[C@@]12CC[N@H+](Cc3cccc(Cl)c3[O-])C[C@@H]1C2(F)F ZINC000292817711 525912563 /nfs/dbraw/zinc/91/25/63/525912563.db2.gz PNIAVRXZIWPXEM-WCQYABFASA-N 0 0 287.737 3.523 20 10 CHCDRN C[C@@H]1CC=CC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284903112 526237543 /nfs/dbraw/zinc/23/75/43/526237543.db2.gz MHASEZQXWMQHGW-CRAIPNDOSA-N 0 0 298.430 3.505 20 10 CHCDRN Cc1nn(C)c2cc(NCc3cc(C)c(C)cc3O)ccc12 ZINC000291274128 527681748 /nfs/dbraw/zinc/68/17/48/527681748.db2.gz OCJAUGYVFGFNNR-UHFFFAOYSA-N 0 0 295.386 3.816 20 10 CHCDRN Cc1cc(C)c([C@H](C)[NH2+]Cc2cccc(C(=O)[O-])c2)c(O)c1 ZINC001611136821 970906721 /nfs/dbraw/zinc/90/67/21/970906721.db2.gz DMYKJJHVQNYIJD-ZDUSSCGKSA-N 0 0 299.370 3.558 20 10 CHCDRN Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)[O-])cc2)c(O)c1C ZINC001594349454 958336929 /nfs/dbraw/zinc/33/69/29/958336929.db2.gz HDZIIWWRKHYCTR-ZDUSSCGKSA-N 0 0 299.370 3.558 20 10 CHCDRN C[C@@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])[C@H]1C ZINC000251608592 1125469095 /nfs/dbraw/zinc/46/90/95/1125469095.db2.gz BZRFDNOIEJTVHA-MNOVXSKESA-N 0 0 298.224 3.775 20 10 CHCDRN O=C(NCc1ccccc1O)c1cc2sccc2s1 ZINC000133750593 1125489159 /nfs/dbraw/zinc/48/91/59/1125489159.db2.gz KNSBYDSOLBYFMX-UHFFFAOYSA-N 0 0 289.381 3.598 20 10 CHCDRN CCc1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC000708479787 1119482087 /nfs/dbraw/zinc/48/20/87/1119482087.db2.gz AAHZAYZISYSYLP-UHFFFAOYSA-N 0 0 263.287 3.845 20 10 CHCDRN C[C@@H](CC1CCCC1)C(=O)N(C)Cc1ccccc1O ZINC000114537641 1125498075 /nfs/dbraw/zinc/49/80/75/1125498075.db2.gz DVVCAPGEYKCYOY-ZDUSSCGKSA-N 0 0 275.392 3.567 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccsc1 ZINC000310771715 1119949571 /nfs/dbraw/zinc/94/95/71/1119949571.db2.gz CVJHYRVYXMIEMG-GXFFZTMASA-N 0 0 259.374 3.792 20 10 CHCDRN CC(C)CC[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001591218431 992079912 /nfs/dbraw/zinc/07/99/12/992079912.db2.gz YPZXEZWLILNWJD-RYUDHWBXSA-N 0 0 279.380 3.566 20 10 CHCDRN Cc1occc1C[N@@H+](C)Cc1cc(C)c(C)cc1O ZINC000092438580 1120478662 /nfs/dbraw/zinc/47/86/62/1120478662.db2.gz JJNKBLBXUGWPSP-UHFFFAOYSA-N 0 0 259.349 3.542 20 10 CHCDRN Oc1cccc(Nc2ccc(C(F)(F)F)cc2)c1O ZINC001174774111 1121027072 /nfs/dbraw/zinc/02/70/72/1121027072.db2.gz BQGYVHIHJNWNFX-UHFFFAOYSA-N 0 0 269.222 3.860 20 10 CHCDRN CCC[C@@H](NC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000732258577 1121914584 /nfs/dbraw/zinc/91/45/84/1121914584.db2.gz VGZLDVQEKVENPA-CYBMUJFWSA-N 0 0 275.373 3.725 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001203580349 1122251080 /nfs/dbraw/zinc/25/10/80/1122251080.db2.gz NFKPVZSTPVAXPS-VIRWGQHYSA-N 0 0 290.165 3.631 20 10 CHCDRN COc1cc(Cl)ccc1NCc1ccccc1O ZINC000775347186 1122526464 /nfs/dbraw/zinc/52/64/64/1122526464.db2.gz YMECBQMZVWFSJQ-UHFFFAOYSA-N 0 0 263.724 3.666 20 10 CHCDRN CCCCCOC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001193765105 1122717894 /nfs/dbraw/zinc/71/78/94/1122717894.db2.gz SHMOZWDHRRWUDN-UHFFFAOYSA-N 0 0 278.396 3.511 20 10 CHCDRN CCC[C@@H](C)NC(=O)[C@@H](C)Sc1ncc(Cl)s1 ZINC000849999634 1123236314 /nfs/dbraw/zinc/23/63/14/1123236314.db2.gz VPAAQDHXIXGAAW-HTQZYQBOSA-N 0 0 292.857 3.582 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000850391880 1123261719 /nfs/dbraw/zinc/26/17/19/1123261719.db2.gz CHFACQWYRHAXFB-PEGIJTEDSA-N 0 0 272.175 3.587 20 10 CHCDRN CCC(F)(F)CN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000858506286 1123658707 /nfs/dbraw/zinc/65/87/07/1123658707.db2.gz FPATVLHCBUJXOT-SCZZXKLOSA-N 0 0 273.298 3.715 20 10 CHCDRN Cc1cc(Sc2ncc(C(C)(C)C)s2)ncn1 ZINC000301638584 1123919717 /nfs/dbraw/zinc/91/97/17/1123919717.db2.gz LOWKLZYRZNBKSW-UHFFFAOYSA-N 0 0 265.407 3.690 20 10 CHCDRN CC[C@H]([NH2+]CC1(CC)COC1)c1cccc(Cl)c1[O-] ZINC000834898320 1131723364 /nfs/dbraw/zinc/72/33/64/1131723364.db2.gz CFQFGXBGEPNLKO-ZDUSSCGKSA-N 0 0 283.799 3.513 20 10 CHCDRN Cc1ccc(O)c(CN2CCCC[C@H]2C(F)(F)F)c1 ZINC001140621059 1131831837 /nfs/dbraw/zinc/83/18/37/1131831837.db2.gz NGCILBPRAWZCLX-ZDUSSCGKSA-N 0 0 273.298 3.617 20 10 CHCDRN COCCC1(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841753093 1132391923 /nfs/dbraw/zinc/39/19/23/1132391923.db2.gz YCGUXYVNUUXFLI-LLVKDONJSA-N 0 0 283.799 3.513 20 10 CHCDRN CCCC[C@@H](C)c1nc(Cc2ccc(N)cc2)no1 ZINC000843160961 1132500690 /nfs/dbraw/zinc/50/06/90/1132500690.db2.gz MWHRJHGUYRANHA-LLVKDONJSA-N 0 0 259.353 3.536 20 10 CHCDRN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccc(Cl)cc1[O-] ZINC000841755014 1125591941 /nfs/dbraw/zinc/59/19/41/1125591941.db2.gz XLNCJYKOLAKZNY-SDDRHHMPSA-N 0 0 283.799 3.511 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(Cl)cc1[O-] ZINC000841755645 1125592001 /nfs/dbraw/zinc/59/20/01/1125592001.db2.gz QNUSSZUZCVDYSK-MWLCHTKSSA-N 0 0 271.813 3.592 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(Cl)cc1[O-] ZINC000841755646 1125592693 /nfs/dbraw/zinc/59/26/93/1125592693.db2.gz QNUSSZUZCVDYSK-ONGXEEELSA-N 0 0 271.813 3.592 20 10 CHCDRN Cc1cccnc1CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841757973 1125597918 /nfs/dbraw/zinc/59/79/18/1125597918.db2.gz QKZLIAUSORHJGI-LBPRGKRZSA-N 0 0 290.794 3.642 20 10 CHCDRN Cc1ccc(CC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cn1 ZINC000841765310 1125602204 /nfs/dbraw/zinc/60/22/04/1125602204.db2.gz XUOZTUVDNJKVLJ-GFCCVEGCSA-N 0 0 290.794 3.642 20 10 CHCDRN Cc1cccc(C[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886495011 1125680340 /nfs/dbraw/zinc/68/03/40/1125680340.db2.gz DTLFERJFKNASCX-GFCCVEGCSA-N 0 0 259.324 3.691 20 10 CHCDRN COCc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886497060 1125681374 /nfs/dbraw/zinc/68/13/74/1125681374.db2.gz QFUWZLIJTHWMRL-LBPRGKRZSA-N 0 0 289.350 3.529 20 10 CHCDRN COCc1cccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886505083 1125681496 /nfs/dbraw/zinc/68/14/96/1125681496.db2.gz JIGVUESOETUWFX-LBPRGKRZSA-N 0 0 289.350 3.529 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCCc2occc21)c1c([O-])cccc1F ZINC000886501304 1125681798 /nfs/dbraw/zinc/68/17/98/1125681798.db2.gz FFDGNWLPNCCGPU-MFKMUULPSA-N 0 0 275.323 3.853 20 10 CHCDRN C[C@H]([NH2+]CCCOC1CCCC1)c1c([O-])cccc1F ZINC000886518731 1125682795 /nfs/dbraw/zinc/68/27/95/1125682795.db2.gz DWJKCRIRDQXMQB-LBPRGKRZSA-N 0 0 281.371 3.531 20 10 CHCDRN C[C@@H]([NH2+]CCCOC1CCCC1)c1c([O-])cccc1F ZINC000886518730 1125683270 /nfs/dbraw/zinc/68/32/70/1125683270.db2.gz DWJKCRIRDQXMQB-GFCCVEGCSA-N 0 0 281.371 3.531 20 10 CHCDRN CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)cn1 ZINC000886526885 1125684513 /nfs/dbraw/zinc/68/45/13/1125684513.db2.gz ULNWNUIFMJUYMZ-VXGBXAGGSA-N 0 0 291.370 3.721 20 10 CHCDRN Cc1noc(C)c1[C@@H](C)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886554858 1125690714 /nfs/dbraw/zinc/69/07/14/1125690714.db2.gz FBPIZHBJABQGCU-VHSXEESVSA-N 0 0 292.354 3.590 20 10 CHCDRN Cc1csc([C@H](C)C[NH2+][C@@H](C)c2c([O-])cccc2F)n1 ZINC000886587923 1125694504 /nfs/dbraw/zinc/69/45/04/1125694504.db2.gz IITCVSVEEOLSSR-KOLCDFICSA-N 0 0 294.395 3.751 20 10 CHCDRN COCC(C)(C)CCC[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886608819 1125696532 /nfs/dbraw/zinc/69/65/32/1125696532.db2.gz GIHNUDUTLCDZQZ-GFCCVEGCSA-N 0 0 283.387 3.635 20 10 CHCDRN C[C@H]([NH2+]CCC1C[C@@H](C)O[C@H](C)C1)c1c([O-])cccc1F ZINC000886607550 1125696985 /nfs/dbraw/zinc/69/69/85/1125696985.db2.gz UIYBLGOWIBWZBY-UPJWGTAASA-N 0 0 295.398 3.776 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1c([O-])cccc1F ZINC000886605765 1125697200 /nfs/dbraw/zinc/69/72/00/1125697200.db2.gz YDPADUFDGCQDGM-NXEZZACHSA-N 0 0 273.298 3.617 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H](C)CC(F)(F)F)c1c([O-])cccc1F ZINC000886625583 1125699593 /nfs/dbraw/zinc/69/95/93/1125699593.db2.gz VHTWNCROOSKYOO-DTWKUNHWSA-N 0 0 279.277 3.770 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)[C@@H]1CCCCO1 ZINC000886634870 1125701027 /nfs/dbraw/zinc/70/10/27/1125701027.db2.gz OSLDHLPNNGFJNI-ZLDLUXBVSA-N 0 0 281.371 3.530 20 10 CHCDRN C[C@@H]([NH2+]CC[C@H]1CC1(Cl)Cl)c1c([O-])cccc1F ZINC000886640380 1125701062 /nfs/dbraw/zinc/70/10/62/1125701062.db2.gz XXOMTEZLKCGDHZ-BDAKNGLRSA-N 0 0 292.181 3.766 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1c([O-])cccc1F ZINC000886638682 1125701156 /nfs/dbraw/zinc/70/11/56/1125701156.db2.gz ZPUMHDVHMQSFBF-MEBBXXQBSA-N 0 0 287.334 3.575 20 10 CHCDRN CC(C)OC1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CCC1 ZINC000886649571 1125701865 /nfs/dbraw/zinc/70/18/65/1125701865.db2.gz DLXFUWQVBKMLJK-LBPRGKRZSA-N 0 0 281.371 3.530 20 10 CHCDRN C[C@@H]([NH2+]CC(C)(C)C(C)(F)F)c1c([O-])cccc1F ZINC000886647725 1125702413 /nfs/dbraw/zinc/70/24/13/1125702413.db2.gz AEQNZJRNZXSXEW-SECBINFHSA-N 0 0 275.314 3.863 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)c1oc(C)cc1C ZINC000175255243 1126779260 /nfs/dbraw/zinc/77/92/60/1126779260.db2.gz CBSVHFMQVGLKAO-UHFFFAOYSA-N 0 0 287.359 3.654 20 10 CHCDRN CC(=O)c1cc(F)cc(CN(C)[C@@H](C)c2ccco2)c1O ZINC000175605862 1126784405 /nfs/dbraw/zinc/78/44/05/1126784405.db2.gz ZAUQRKYIGAYHND-JTQLQIEISA-N 0 0 291.322 3.520 20 10 CHCDRN CC(C)[C@@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000175505660 1126783199 /nfs/dbraw/zinc/78/31/99/1126783199.db2.gz YJFFRHAEZMXOQF-GOSISDBHSA-N 0 0 297.398 3.790 20 10 CHCDRN C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000793231495 1130532193 /nfs/dbraw/zinc/53/21/93/1130532193.db2.gz OPZYBCNIWWCXGU-WPRPVWTQSA-N 0 0 293.716 3.818 20 10 CHCDRN CCCOc1ccc(CNc2ncc(C)s2)c(O)c1 ZINC000185854402 1126903934 /nfs/dbraw/zinc/90/39/34/1126903934.db2.gz XJEHUMXEEAKSRV-UHFFFAOYSA-N 0 0 278.377 3.558 20 10 CHCDRN C[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccc(F)c(F)c1[O-] ZINC000187668236 1126913196 /nfs/dbraw/zinc/91/31/96/1126913196.db2.gz YKJDCVMCBASEMO-MRVPVSSYSA-N 0 0 267.319 3.510 20 10 CHCDRN Oc1cccc(Cl)c1CNc1cccc(-n2cccn2)c1 ZINC000149167265 1126955586 /nfs/dbraw/zinc/95/55/86/1126955586.db2.gz AKBSNBSJXDWKCH-UHFFFAOYSA-N 0 0 299.761 3.843 20 10 CHCDRN C[C@@H]1C[N@H+](Cc2ccccc2O)[C@H]1c1ccccc1 ZINC000245585646 1129213027 /nfs/dbraw/zinc/21/30/27/1129213027.db2.gz DKAZEJLOWUVRGO-CXAGYDPISA-N 0 0 253.345 3.585 20 10 CHCDRN CC[C@H]([NH2+][C@H](CO)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000268849682 1127026046 /nfs/dbraw/zinc/02/60/46/1127026046.db2.gz BHVFMBYLWQAFMS-RBUKOAKNSA-N 0 0 298.430 3.527 20 10 CHCDRN CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)CCO1 ZINC000270665620 1127059711 /nfs/dbraw/zinc/05/97/11/1127059711.db2.gz PHFCZVMSNGVLAD-IAQYHMDHSA-N 0 0 297.826 3.729 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000843820284 1127108570 /nfs/dbraw/zinc/10/85/70/1127108570.db2.gz QIVJOFIGGMJHNS-HZPDHXFCSA-N 0 0 287.403 3.567 20 10 CHCDRN CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816539551 1131106119 /nfs/dbraw/zinc/10/61/19/1131106119.db2.gz KUSVVTCLDICJFK-RKDXNWHRSA-N 0 0 259.752 3.709 20 10 CHCDRN CCN(C(=O)[C@H](C)Sc1nccs1)C1CCCCC1 ZINC000284329779 1127180991 /nfs/dbraw/zinc/18/09/91/1127180991.db2.gz UMMKZGNFWHMVJG-NSHDSACASA-N 0 0 298.477 3.805 20 10 CHCDRN CC[C@H]([NH2+]Cc1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000285581166 1127238072 /nfs/dbraw/zinc/23/80/72/1127238072.db2.gz IPESEAPJEDTDJS-HNNXBMFYSA-N 0 0 277.314 3.911 20 10 CHCDRN CCC(CC)[N@H+](C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237950693 1131154531 /nfs/dbraw/zinc/15/45/31/1131154531.db2.gz YYPYWJNNLBUPJU-UHFFFAOYSA-N 0 0 259.752 3.805 20 10 CHCDRN CC[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000286002748 1127252588 /nfs/dbraw/zinc/25/25/88/1127252588.db2.gz HRBRAKOTHIYCRK-IOASZLSFSA-N 0 0 295.398 3.777 20 10 CHCDRN CC[C@H]([NH2+]CCCOC(C)C)c1cccc(Cl)c1[O-] ZINC000286869139 1127275504 /nfs/dbraw/zinc/27/55/04/1127275504.db2.gz HGTXNYZJFBPHFH-AWEZNQCLSA-N 0 0 285.815 3.901 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ccco1)c1cccc(Cl)c1[O-] ZINC000286936122 1127276101 /nfs/dbraw/zinc/27/61/01/1127276101.db2.gz LSJWCFLVRXXRAA-CYBMUJFWSA-N 0 0 265.740 3.880 20 10 CHCDRN CC[C@H](N[C@@H](C)C(F)(F)F)c1ccc(C)cc1O ZINC000287247637 1127298182 /nfs/dbraw/zinc/29/81/82/1127298182.db2.gz HRECTXOOCVMKEG-ONGXEEELSA-N 0 0 261.287 3.692 20 10 CHCDRN CCCCCC[C@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877078647 1127363831 /nfs/dbraw/zinc/36/38/31/1127363831.db2.gz XXOQRPZDUFLRIR-ZDUSSCGKSA-N 0 0 262.397 3.838 20 10 CHCDRN CN(C)c1ccc(CNc2ccc3ncsc3c2)cc1 ZINC000226651884 1127415159 /nfs/dbraw/zinc/41/51/59/1127415159.db2.gz WJFCEQSVQWEXHN-UHFFFAOYSA-N 0 0 283.400 3.974 20 10 CHCDRN COc1c(C)ccc(NCc2cccc(C)c2O)c1C ZINC000158038366 1127416245 /nfs/dbraw/zinc/41/62/45/1127416245.db2.gz UKCJVFGUZXHZHL-UHFFFAOYSA-N 0 0 271.360 3.938 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]CCCOC1CCCCC1 ZINC000158082331 1127436746 /nfs/dbraw/zinc/43/67/46/1127436746.db2.gz VTVFXFPMOTUDEL-UHFFFAOYSA-N 0 0 297.826 3.875 20 10 CHCDRN Cc1c2ccccc2n(C)c1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000359000562 1127443849 /nfs/dbraw/zinc/44/38/49/1127443849.db2.gz IBNWANZCKLEIMC-ZDUSSCGKSA-N 0 0 297.377 3.872 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)NCCCC1CCCC1 ZINC000046872996 1127467136 /nfs/dbraw/zinc/46/71/36/1127467136.db2.gz JPQJOUOVKYNDAM-UHFFFAOYSA-N 0 0 290.407 3.504 20 10 CHCDRN C[C@@H]1[C@H](C)C[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1C ZINC001308826179 1127498310 /nfs/dbraw/zinc/49/83/10/1127498310.db2.gz UTIAKTMPTBTGRI-BBBLOLIVSA-N 0 0 271.763 3.661 20 10 CHCDRN COc1ccc(O)c(CN(C)c2cccc(SC)c2)c1 ZINC000761222152 1127548628 /nfs/dbraw/zinc/54/86/28/1127548628.db2.gz QULFUYKIWLKQOU-UHFFFAOYSA-N 0 0 289.400 3.759 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](CC)C(C)(C)O)c1cccc(Cl)c1[O-] ZINC000294871772 1127605595 /nfs/dbraw/zinc/60/55/95/1127605595.db2.gz CSNSOUVICBPPSR-OLZOCXBDSA-N 0 0 285.815 3.636 20 10 CHCDRN C[C@@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc(F)cc1[O-] ZINC000170788875 1127650181 /nfs/dbraw/zinc/65/01/81/1127650181.db2.gz KDMUSDDDPFKUBL-GFCCVEGCSA-N 0 0 298.361 3.906 20 10 CHCDRN CCn1ncc2ccc(N[C@@H]3CCc4cccc(O)c43)cc21 ZINC000296541665 1127675167 /nfs/dbraw/zinc/67/51/67/1127675167.db2.gz SKBKQQAKEUDTBU-OAHLLOKOSA-N 0 0 293.370 3.861 20 10 CHCDRN Nc1ccc(NC(=O)N[C@@H]2CCCc3sccc32)cc1 ZINC000061368403 1127687825 /nfs/dbraw/zinc/68/78/25/1127687825.db2.gz UMQDCCAZWJCQTO-CYBMUJFWSA-N 0 0 287.388 3.529 20 10 CHCDRN C[C@@H](Nc1ccccc1OCCF)c1ccccc1O ZINC000297153406 1127689187 /nfs/dbraw/zinc/68/91/87/1127689187.db2.gz CLBNYLQOAAMCNS-GFCCVEGCSA-N 0 0 275.323 3.914 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)C(C)(C)CC)cc1 ZINC000171157208 1127691923 /nfs/dbraw/zinc/69/19/23/1127691923.db2.gz DGUSQYRMFCKHTF-UHFFFAOYSA-N 0 0 276.424 3.585 20 10 CHCDRN [O-]c1c(F)cccc1C[N@H+]1CC=C(c2ccccc2)CC1 ZINC001138128557 1127767535 /nfs/dbraw/zinc/76/75/35/1127767535.db2.gz RFTWUZGRKGYQDY-UHFFFAOYSA-N 0 0 283.346 3.821 20 10 CHCDRN C[C@H]([NH2+]CCc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000062744754 1127772581 /nfs/dbraw/zinc/77/25/81/1127772581.db2.gz NBMPUQLORVIUEZ-NSHDSACASA-N 0 0 277.314 3.564 20 10 CHCDRN CS[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000230663409 1127771565 /nfs/dbraw/zinc/77/15/65/1127771565.db2.gz UACCZZSLTSDLRK-PSOPSSQASA-N 0 0 283.412 3.856 20 10 CHCDRN CC(=O)Nc1ccc(N[C@@H](C)c2ccc(F)cc2O)cc1 ZINC000062744714 1127772308 /nfs/dbraw/zinc/77/23/08/1127772308.db2.gz RIOFTPNJVZGGRJ-JTQLQIEISA-N 0 0 288.322 3.663 20 10 CHCDRN C[C@H]([NH2+]C1CCCCCC1)c1ccc(F)cc1[O-] ZINC000062744994 1127772378 /nfs/dbraw/zinc/77/23/78/1127772378.db2.gz LVAHQWKPZZFHPD-NSHDSACASA-N 0 0 251.345 3.905 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)Cc1ccsc1)c1ccc(F)cc1[O-] ZINC000062748205 1127773738 /nfs/dbraw/zinc/77/37/38/1127773738.db2.gz KZHFJCYPMUHVDP-WDEREUQCSA-N 0 0 279.380 3.875 20 10 CHCDRN Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])CO2 ZINC000373265913 1127830491 /nfs/dbraw/zinc/83/04/91/1127830491.db2.gz LBGYHTASWYQPKZ-IAQYHMDHSA-N 0 0 287.334 3.624 20 10 CHCDRN CC(C)[C@@H]([NH2+]Cc1cccc(Br)c1[O-])C1CC1 ZINC000324022643 1127941960 /nfs/dbraw/zinc/94/19/60/1127941960.db2.gz RXODKKLXLNTCIP-CYBMUJFWSA-N 0 0 298.224 3.679 20 10 CHCDRN CCC[C@@H]1CCCC[N@@H+]1Cc1c([O-])ccc(F)c1F ZINC001233334874 1127953053 /nfs/dbraw/zinc/95/30/53/1127953053.db2.gz XKMDKISJGPHUFX-LLVKDONJSA-N 0 0 269.335 3.825 20 10 CHCDRN [O-]c1c(F)cccc1C[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC000825017124 1128005608 /nfs/dbraw/zinc/00/56/08/1128005608.db2.gz MCVHTKXNFOLMKQ-UHFFFAOYSA-N 0 0 289.325 3.535 20 10 CHCDRN C[C@H](NC(=O)C1(C2CCCCC2)CC1)c1ccccc1O ZINC000913763316 1128080195 /nfs/dbraw/zinc/08/01/95/1128080195.db2.gz BFDDQVAYIYSHNC-ZDUSSCGKSA-N 0 0 287.403 3.930 20 10 CHCDRN CC[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000134906802 1128091810 /nfs/dbraw/zinc/09/18/10/1128091810.db2.gz QTFVCXCVMMXFME-YUMQZZPRSA-N 0 0 290.176 3.743 20 10 CHCDRN Oc1cccc(Cl)c1CNc1ccc(Cl)cn1 ZINC000777506077 1128094494 /nfs/dbraw/zinc/09/44/94/1128094494.db2.gz BPUKWHPXZJOTSQ-UHFFFAOYSA-N 0 0 269.131 3.706 20 10 CHCDRN CC(C)CC[C@@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000761603497 1128165095 /nfs/dbraw/zinc/16/50/95/1128165095.db2.gz UUWAIQSPBZVALU-LBPRGKRZSA-N 0 0 281.421 3.885 20 10 CHCDRN CCOc1ccc(NCc2cc(F)ccc2O)cc1OC ZINC000226581027 1128196381 /nfs/dbraw/zinc/19/63/81/1128196381.db2.gz LQVGAVCVEPGYBC-UHFFFAOYSA-N 0 0 291.322 3.551 20 10 CHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1 ZINC000914506753 1128201302 /nfs/dbraw/zinc/20/13/02/1128201302.db2.gz RHRGGMYXNOPNLW-UHFFFAOYSA-N 0 0 296.414 3.803 20 10 CHCDRN CCOc1ccc(N(CC)C(=O)/C=C\c2cccnc2)cc1 ZINC000914518996 1128203665 /nfs/dbraw/zinc/20/36/65/1128203665.db2.gz IFXWDDXAULHBBZ-GHXNOFRVSA-N 0 0 296.370 3.547 20 10 CHCDRN CC(C)(C)c1ccc(C(=O)NCCc2ccc(N)cc2)cc1 ZINC000032174817 1128239291 /nfs/dbraw/zinc/23/92/91/1128239291.db2.gz RZMBJUSAKJMRAL-UHFFFAOYSA-N 0 0 296.414 3.539 20 10 CHCDRN CCc1ccccc1NNC(=S)Nc1cccc(C)c1 ZINC000915121912 1128283610 /nfs/dbraw/zinc/28/36/10/1128283610.db2.gz RZZNSFNCQJUVKK-UHFFFAOYSA-N 0 0 285.416 3.871 20 10 CHCDRN C[C@H]1C[C@@H]1c1noc(-c2ccc(-n3cccc3)c(F)c2)n1 ZINC000762249089 1128286952 /nfs/dbraw/zinc/28/69/52/1128286952.db2.gz AZEZUWWDNJZFBB-JQWIXIFHSA-N 0 0 283.306 3.790 20 10 CHCDRN Cc1cc(-c2nc([C@H]3C[C@H]3C)no2)c(C)n1-c1ccccn1 ZINC000762253242 1128287264 /nfs/dbraw/zinc/28/72/64/1128287264.db2.gz KWDACNROSISEOX-MFKMUULPSA-N 0 0 294.358 3.663 20 10 CHCDRN Cc1ccc(/C=C\C(=O)N2C[C@H](C)c3ccccc32)cn1 ZINC000777846002 1128291892 /nfs/dbraw/zinc/29/18/92/1128291892.db2.gz IPUSIUOWMZPDPL-XPSMFNQNSA-N 0 0 278.355 3.554 20 10 CHCDRN Cc1ccc(/C=C\C(=O)N2CCc3ccc(Cl)cc32)cn1 ZINC000777866628 1128298080 /nfs/dbraw/zinc/29/80/80/1128298080.db2.gz ODDBSZSXOXDKGI-DAXSKMNVSA-N 0 0 298.773 3.646 20 10 CHCDRN N#Cc1cc(NCc2ccc(N3CCCC3)cc2)ccc1F ZINC000315606309 1128325247 /nfs/dbraw/zinc/32/52/47/1128325247.db2.gz LUUXYXVRCNGNNQ-UHFFFAOYSA-N 0 0 295.361 3.910 20 10 CHCDRN CCN(Cc1ccc(Cl)cn1)c1ccc(OC)cc1 ZINC000778224250 1128451787 /nfs/dbraw/zinc/45/17/87/1128451787.db2.gz FSFHMHLHQKAPSD-UHFFFAOYSA-N 0 0 276.767 3.770 20 10 CHCDRN C[C@H](CC(=O)NCc1ccc(N(C)C)cc1)CC(C)(C)C ZINC000916731523 1128453115 /nfs/dbraw/zinc/45/31/15/1128453115.db2.gz PBXRBNQHFQWPPE-CQSZACIVSA-N 0 0 290.451 3.831 20 10 CHCDRN Clc1cnc(SC[C@H]2CC[C@@H](C3CC3)O2)s1 ZINC000918095145 1128533327 /nfs/dbraw/zinc/53/33/27/1128533327.db2.gz FGVXLOHUBPTVRK-BDAKNGLRSA-N 0 0 275.826 3.846 20 10 CHCDRN CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001202779142 1128560431 /nfs/dbraw/zinc/56/04/31/1128560431.db2.gz RSGYIFIUFQMXNI-TZMCWYRMSA-N 0 0 283.362 3.975 20 10 CHCDRN CC/C=C(/C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000918565596 1128557373 /nfs/dbraw/zinc/55/73/73/1128557373.db2.gz PYEGFRGERZTTLT-NVNXTCNLSA-N 0 0 288.435 3.846 20 10 CHCDRN Cc1c2cc(OC[C@@H]3CCCOC3)ccc2n(C)c1C ZINC000570152823 1128617088 /nfs/dbraw/zinc/61/70/88/1128617088.db2.gz HCETXAJJIGKNBP-CQSZACIVSA-N 0 0 273.376 3.601 20 10 CHCDRN CC1CCN(c2ccc(CNC(=O)C3=CCCC3)cc2)CC1 ZINC000156801179 1128641600 /nfs/dbraw/zinc/64/16/00/1128641600.db2.gz SOKNSBFBKFBMMX-UHFFFAOYSA-N 0 0 298.430 3.649 20 10 CHCDRN Cc1ccccc1[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000779005611 1128676478 /nfs/dbraw/zinc/67/64/78/1128676478.db2.gz MASWOEHAOJSAJP-CQSZACIVSA-N 0 0 285.362 3.829 20 10 CHCDRN CCC/C=C\C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000920448334 1128681920 /nfs/dbraw/zinc/68/19/20/1128681920.db2.gz ACRXSLZRBTUTAO-SREVYHEPSA-N 0 0 286.419 3.600 20 10 CHCDRN C[C@@H]1CCCC[C@H]1CC(=O)N(C)Cc1ccccc1O ZINC000920455179 1128682880 /nfs/dbraw/zinc/68/28/80/1128682880.db2.gz OXILIFPUDIRKTM-KGLIPLIRSA-N 0 0 275.392 3.567 20 10 CHCDRN C[C@H]1CCCC[C@H]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000920431402 1128683424 /nfs/dbraw/zinc/68/34/24/1128683424.db2.gz YCUMVGZBWBGMEX-HOCLYGCPSA-N 0 0 288.435 3.585 20 10 CHCDRN Oc1ccc(F)cc1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000779021056 1128684612 /nfs/dbraw/zinc/68/46/12/1128684612.db2.gz QQOZUANLJKSUFP-KRWDZBQOSA-N 0 0 275.367 3.854 20 10 CHCDRN Cc1cc(C)c(C[NH2+]Cc2ccccc2O)cc1C ZINC000134237189 1128706729 /nfs/dbraw/zinc/70/67/29/1128706729.db2.gz JQTSGJYYIMNMGB-UHFFFAOYSA-N 0 0 255.361 3.607 20 10 CHCDRN C[C@H]([NH2+]CCc1c(F)cccc1F)c1ccc(F)cc1[O-] ZINC000185067631 1117759671 /nfs/dbraw/zinc/75/96/71/1117759671.db2.gz OMEWLELCFFRPOW-JTQLQIEISA-N 0 0 295.304 3.703 20 10 CHCDRN Cc1ccc(NC(=O)[C@@H](C)Sc2nccs2)c(F)c1 ZINC000048875816 1128734428 /nfs/dbraw/zinc/73/44/28/1128734428.db2.gz MTELSRZERDSRDL-SECBINFHSA-N 0 0 296.392 3.710 20 10 CHCDRN CCC(C)(C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000471221489 1117992733 /nfs/dbraw/zinc/99/27/33/1117992733.db2.gz VITCLJMODRLNFO-UHFFFAOYSA-N 0 0 272.392 3.539 20 10 CHCDRN C[C@H]1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000211394551 1118024851 /nfs/dbraw/zinc/02/48/51/1118024851.db2.gz GRTAKSSLKHDWKH-NSHDSACASA-N 0 0 298.224 3.777 20 10 CHCDRN CC[C@@H]([NH2+]CCc1cccs1)c1ccccc1O ZINC000019949194 1118034694 /nfs/dbraw/zinc/03/46/94/1118034694.db2.gz NZRYMEWNMPCMAC-CQSZACIVSA-N 0 0 261.390 3.737 20 10 CHCDRN Cc1ccc(CCCC(=O)Nc2ccc(N)cc2)s1 ZINC000237699859 1128752875 /nfs/dbraw/zinc/75/28/75/1128752875.db2.gz XSMVOZUAYUTFOU-UHFFFAOYSA-N 0 0 274.389 3.600 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C/C=C\c1ccccc1 ZINC000779151196 1128753456 /nfs/dbraw/zinc/75/34/56/1128753456.db2.gz UYVOLFXNPXPVNN-YVMONPNESA-N 0 0 273.763 3.849 20 10 CHCDRN Cc1occc1-c1nnc(Sc2ncc(Cl)s2)o1 ZINC000764999792 1118129667 /nfs/dbraw/zinc/12/96/67/1118129667.db2.gz JRVVGGYIRBGBRU-UHFFFAOYSA-N 0 0 299.764 3.899 20 10 CHCDRN CCCCN(Cc1cc(OC)ccc1O)CC(F)(F)F ZINC000179768590 1128758369 /nfs/dbraw/zinc/75/83/69/1128758369.db2.gz FZQBYGGBDLGJOI-UHFFFAOYSA-N 0 0 291.313 3.565 20 10 CHCDRN C[N@H+](Cc1cccc(Cl)c1)Cc1cc(F)cc(F)c1[O-] ZINC001205215200 1118184785 /nfs/dbraw/zinc/18/47/85/1118184785.db2.gz DJTCWZOVEVXNHR-UHFFFAOYSA-N 0 0 297.732 3.956 20 10 CHCDRN CCCCC[C@H](C)CC(=O)NCc1cc(C)ccc1O ZINC001167293532 1118184777 /nfs/dbraw/zinc/18/47/77/1118184777.db2.gz IDEGGPZHGOSJAA-ZDUSSCGKSA-N 0 0 277.408 3.923 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)c2cccc(C3CCC3)c2)c1 ZINC001167294118 1118186477 /nfs/dbraw/zinc/18/64/77/1118186477.db2.gz ZOGZLDSWQGDNOG-UHFFFAOYSA-N 0 0 295.382 3.898 20 10 CHCDRN CCc1ccc([C@H](C)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001648892253 1118273127 /nfs/dbraw/zinc/27/31/27/1118273127.db2.gz SJSCSHJCXOIHAO-KBPBESRZSA-N 0 0 297.398 3.936 20 10 CHCDRN C[C@@H](C1CC1)n1cc(NCc2ccc(N(C)C)cc2)cn1 ZINC000189245000 1128770068 /nfs/dbraw/zinc/77/00/68/1128770068.db2.gz FMDXZRDTLDWWMF-ZDUSSCGKSA-N 0 0 284.407 3.532 20 10 CHCDRN Cc1ncsc1/C=C/C(=O)N(C)c1ccc(C)cc1C ZINC000186206433 1118344234 /nfs/dbraw/zinc/34/42/34/1118344234.db2.gz ZASBFMLIBMZTDJ-BQYQJAHWSA-N 0 0 286.400 3.745 20 10 CHCDRN CCOc1cccc(NCc2cccc(C)c2O)c1 ZINC000083421621 1118353713 /nfs/dbraw/zinc/35/37/13/1118353713.db2.gz ZMHIRYVMACAZGM-UHFFFAOYSA-N 0 0 257.333 3.711 20 10 CHCDRN COc1ccc(N(C)Cc2cncc(F)c2)cc1Cl ZINC000779165813 1128772420 /nfs/dbraw/zinc/77/24/20/1128772420.db2.gz NXIMJYSFSUXVLI-UHFFFAOYSA-N 0 0 280.730 3.519 20 10 CHCDRN CN(c1ccc(N)cc1)c1cnc2sccc2c1 ZINC001210694719 1118366553 /nfs/dbraw/zinc/36/65/53/1118366553.db2.gz ICGKCTHDUWCFQZ-UHFFFAOYSA-N 0 0 255.346 3.646 20 10 CHCDRN CN(c1ccc(N)cc1)c1cc(F)c(Cl)c(F)c1 ZINC001210843142 1118406632 /nfs/dbraw/zinc/40/66/32/1118406632.db2.gz AAEGEYXJKYADRF-UHFFFAOYSA-N 0 0 268.694 3.968 20 10 CHCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)c1[O-] ZINC000088706268 1118524727 /nfs/dbraw/zinc/52/47/27/1118524727.db2.gz UMQRYLJWAMOUMB-QWRGUYRKSA-N 0 0 295.810 3.869 20 10 CHCDRN CC(C)(C)c1cnc(CSc2nccs2)o1 ZINC000064669680 1118538163 /nfs/dbraw/zinc/53/81/63/1118538163.db2.gz GJLAXPILDHDJTO-UHFFFAOYSA-N 0 0 254.380 3.721 20 10 CHCDRN CC(C)(C)c1cnc(SC[C@H]2COC(C)(C)O2)s1 ZINC000785044965 1118601458 /nfs/dbraw/zinc/60/14/58/1118601458.db2.gz IAPJVDFYQFSRPU-SECBINFHSA-N 0 0 287.450 3.684 20 10 CHCDRN C[C@H]([NH2+]CCCC(C)(F)F)c1cc(F)ccc1O ZINC000297383259 1118622048 /nfs/dbraw/zinc/62/20/48/1118622048.db2.gz RFGZXEUJCWKMHT-VIFPVBQESA-N 0 0 261.287 3.617 20 10 CHCDRN CC[C@H]([NH2+]CCC[C@@H]1CCOC1)c1cc(Cl)ccc1O ZINC000834906588 1118623541 /nfs/dbraw/zinc/62/35/41/1118623541.db2.gz XVRJOZNSBJUGIQ-DOMZBBRYSA-N 0 0 297.826 3.903 20 10 CHCDRN Oc1ccccc1CNc1ccccc1OCC1CC1 ZINC000077466355 1128811614 /nfs/dbraw/zinc/81/16/14/1128811614.db2.gz OOMSRINLHPQIJY-UHFFFAOYSA-N 0 0 269.344 3.793 20 10 CHCDRN CCN(C(=O)/C=C\c1scnc1C)c1ccc(F)cc1 ZINC000588516710 1119063094 /nfs/dbraw/zinc/06/30/94/1119063094.db2.gz KNHDKAFFLWMCRB-HJWRWDBZSA-N 0 0 290.363 3.657 20 10 CHCDRN Cc1coc(C)c1C(=O)NCc1c(C)c2ccccc2n1C ZINC000342530347 1119069644 /nfs/dbraw/zinc/06/96/44/1119069644.db2.gz WWQAZNLAPQISQZ-UHFFFAOYSA-N 0 0 296.370 3.627 20 10 CHCDRN Cc1ccc(N(C)C(=O)/C=C/c2cccnc2C)cc1C ZINC001125602375 1119102167 /nfs/dbraw/zinc/10/21/67/1119102167.db2.gz SAKIETNDDZGPKB-CSKARUKUSA-N 0 0 280.371 3.683 20 10 CHCDRN [O-]c1cc(F)cc(F)c1C[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001140584338 1119158946 /nfs/dbraw/zinc/15/89/46/1119158946.db2.gz NPABQTYCHWBNAQ-NSHDSACASA-N 0 0 299.336 3.775 20 10 CHCDRN CCC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])C1CCC1 ZINC000708390543 1119424233 /nfs/dbraw/zinc/42/42/33/1119424233.db2.gz QTLSCSPXLXOBBP-AWEZNQCLSA-N 0 0 269.335 3.729 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(C)c1 ZINC000052851260 1119482687 /nfs/dbraw/zinc/48/26/87/1119482687.db2.gz QBPASRYBCMHUPF-UHFFFAOYSA-N 0 0 296.414 3.723 20 10 CHCDRN CCc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1C ZINC000181325923 1128865018 /nfs/dbraw/zinc/86/50/18/1128865018.db2.gz AMGROHLZLINYQJ-RMKNXTFCSA-N 0 0 297.354 3.621 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cc1[O-] ZINC000694374468 1119891685 /nfs/dbraw/zinc/89/16/85/1119891685.db2.gz LLTNCINYXDVEDF-OXIQGZBJSA-N 0 0 263.356 3.618 20 10 CHCDRN CC[C@@H](C(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000827981958 1119908751 /nfs/dbraw/zinc/90/87/51/1119908751.db2.gz JDZAIEUSCFJXLD-DZGCQCFKSA-N 0 0 283.371 3.763 20 10 CHCDRN C[C@H](CO)NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255914576 1119994241 /nfs/dbraw/zinc/99/42/41/1119994241.db2.gz FFXFYUDPFYHGMK-GFCCVEGCSA-N 0 0 298.346 3.604 20 10 CHCDRN CCOC(=O)c1cnc(Sc2cccs2)s1 ZINC000309451070 1120042920 /nfs/dbraw/zinc/04/29/20/1120042920.db2.gz PXHMTEJRAYWECH-UHFFFAOYSA-N 0 0 271.388 3.533 20 10 CHCDRN Cc1ccc(N[C@@H](C)c2cc(F)ccc2O)c(C)n1 ZINC000094664886 1120054146 /nfs/dbraw/zinc/05/41/46/1120054146.db2.gz LDDRRYVQXLTXDD-JTQLQIEISA-N 0 0 260.312 3.716 20 10 CHCDRN COc1ccc(CNCc2nc(C(C)(C)C)co2)cc1C ZINC000921653849 1120055129 /nfs/dbraw/zinc/05/51/29/1120055129.db2.gz VNIKIQKMMYLUGK-UHFFFAOYSA-N 0 0 288.391 3.579 20 10 CHCDRN Nc1ccc(N(c2ccccc2)c2cccnc2N)cc1 ZINC001212404275 1120066256 /nfs/dbraw/zinc/06/62/56/1120066256.db2.gz VLCMUHHJUKIAIT-UHFFFAOYSA-N 0 0 276.343 3.716 20 10 CHCDRN Cc1snnc1-c1nc(-c2ccc(C)c(Cl)c2)no1 ZINC001212405301 1120068669 /nfs/dbraw/zinc/06/86/69/1120068669.db2.gz MWJHNGNRUNBEOK-UHFFFAOYSA-N 0 0 292.751 3.525 20 10 CHCDRN CC(C)CC[C@@H](NC(=O)Cc1ccc(N)cc1)C(C)(C)C ZINC000236608064 1120084203 /nfs/dbraw/zinc/08/42/03/1120084203.db2.gz PTKGHERLYHGQCD-MRXNPFEDSA-N 0 0 290.451 3.778 20 10 CHCDRN CC[C@@H](NCc1ccc(OC)c(C)c1)c1nccs1 ZINC000078004224 1128891042 /nfs/dbraw/zinc/89/10/42/1128891042.db2.gz NKMDOWHJYDGXJM-CYBMUJFWSA-N 0 0 276.405 3.701 20 10 CHCDRN Cc1noc2ncc(NCc3c(O)cccc3Cl)cc12 ZINC000765943882 1120239434 /nfs/dbraw/zinc/23/94/34/1120239434.db2.gz HLLPUJAZWZWCQA-UHFFFAOYSA-N 0 0 289.722 3.502 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1ccc(F)cc1[O-] ZINC000186499807 1120241767 /nfs/dbraw/zinc/24/17/67/1120241767.db2.gz NSSAOMDIZMQTOJ-YGRLFVJLSA-N 0 0 281.371 3.528 20 10 CHCDRN CCC[C@H](C)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000715719640 1120241885 /nfs/dbraw/zinc/24/18/85/1120241885.db2.gz TURXGBCNVCRORF-QMMMGPOBSA-N 0 0 290.176 3.572 20 10 CHCDRN CCC(CC)(CC)c1nc(Cc2ccc(N)cc2)no1 ZINC000843159555 1120273157 /nfs/dbraw/zinc/27/31/57/1120273157.db2.gz SPSAELWHCIXISO-UHFFFAOYSA-N 0 0 273.380 3.710 20 10 CHCDRN O=[N+]([O-])c1cccc(Cl)c1NCc1ccccc1O ZINC000228427080 1120344479 /nfs/dbraw/zinc/34/44/79/1120344479.db2.gz NSWXTABHIVPNCR-UHFFFAOYSA-N 0 0 278.695 3.566 20 10 CHCDRN CCCCCC[C@@H](C)CC(=O)NCCc1ccc(N)cc1 ZINC000236678514 1120345773 /nfs/dbraw/zinc/34/57/73/1120345773.db2.gz VLSZNPZNPRWMOG-OAHLLOKOSA-N 0 0 290.451 3.924 20 10 CHCDRN CCCCN(Cc1cscn1)Cc1ccccc1O ZINC000282326456 1120352930 /nfs/dbraw/zinc/35/29/30/1120352930.db2.gz AMWAIRUKIUSRPH-UHFFFAOYSA-N 0 0 276.405 3.651 20 10 CHCDRN C[C@@H](CC(=O)NCc1ccccc1O)C1CCCCC1 ZINC000725895337 1120383871 /nfs/dbraw/zinc/38/38/71/1120383871.db2.gz FBOVHSQKTCXMNP-ZDUSSCGKSA-N 0 0 275.392 3.615 20 10 CHCDRN CC[C@H]([NH2+]CCF)c1ccc(Cl)c(Cl)c1[O-] ZINC000309999799 1120385977 /nfs/dbraw/zinc/38/59/77/1120385977.db2.gz DMWQSBBGKRUUGV-VIFPVBQESA-N 0 0 266.143 3.709 20 10 CHCDRN Cc1cc2c(cc1N[C@H](C)c1ccc(F)cc1O)OCO2 ZINC000186517184 1120463055 /nfs/dbraw/zinc/46/30/55/1120463055.db2.gz GNGPSVXXMZOJIA-SNVBAGLBSA-N 0 0 289.306 3.742 20 10 CHCDRN CC1(C)Oc2ccc(N[C@@H]3CCc4cccc(O)c43)cc2O1 ZINC000319204071 1120504348 /nfs/dbraw/zinc/50/43/48/1120504348.db2.gz FEGBNOOIABTKPR-CYBMUJFWSA-N 0 0 297.354 3.999 20 10 CHCDRN Cc1ccc(O)c(CNc2cccc3ccn(C)c32)c1 ZINC000190907245 1120510362 /nfs/dbraw/zinc/51/03/62/1120510362.db2.gz YVGFBAULUMWJIQ-UHFFFAOYSA-N 0 0 266.344 3.804 20 10 CHCDRN COc1ccc(O)c([C@H](C)Nc2nc(C(C)C)ns2)c1 ZINC000092650070 1120511698 /nfs/dbraw/zinc/51/16/98/1120511698.db2.gz OAITVGLLSYUMJD-VIFPVBQESA-N 0 0 293.392 3.549 20 10 CHCDRN C[C@H]([NH2+]CCc1ccc(F)c(F)c1)c1ccc(F)cc1[O-] ZINC000191521862 1120524080 /nfs/dbraw/zinc/52/40/80/1120524080.db2.gz DDRQJEJZPBITJE-JTQLQIEISA-N 0 0 295.304 3.703 20 10 CHCDRN CC[C@H](Nc1ccc(OC)c(OC)c1)c1ccccc1O ZINC000019908789 1120544819 /nfs/dbraw/zinc/54/48/19/1120544819.db2.gz PVGJKDATSGQHJO-AWEZNQCLSA-N 0 0 287.359 3.973 20 10 CHCDRN COc1ccccc1N[C@H](C)c1ccc(C)cc1O ZINC000020086903 1120581872 /nfs/dbraw/zinc/58/18/72/1120581872.db2.gz WSPULXBLWRFWLJ-GFCCVEGCSA-N 0 0 257.333 3.882 20 10 CHCDRN Cc1ccc([C@@H](C)Nc2ccc3c(c2)OCO3)c(O)c1 ZINC000020093019 1120583179 /nfs/dbraw/zinc/58/31/79/1120583179.db2.gz IXEBNUGVVXIKQN-LLVKDONJSA-N 0 0 271.316 3.602 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1cnn(C)c1)c1cccc(Cl)c1[O-] ZINC000287285894 1120602006 /nfs/dbraw/zinc/60/20/06/1120602006.db2.gz BSVSTOJAUBSGMD-YGRLFVJLSA-N 0 0 293.798 3.581 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2C[C@H]2C2CC2)cc1 ZINC001128524985 1120658568 /nfs/dbraw/zinc/65/85/68/1120658568.db2.gz XWEZPMIJGNOPHD-ZWKOTPCHSA-N 0 0 294.398 3.622 20 10 CHCDRN CN(C(=O)C1CCCCCCC1)c1ccc(N)cc1 ZINC000086577626 1120686278 /nfs/dbraw/zinc/68/62/78/1120686278.db2.gz SCRBBVMVNVSAPE-UHFFFAOYSA-N 0 0 260.381 3.592 20 10 CHCDRN CC(C)c1cnc(NCc2ccc(N(C)C)cc2)s1 ZINC000779428603 1128934206 /nfs/dbraw/zinc/93/42/06/1128934206.db2.gz PGRGRFAOQMEASJ-UHFFFAOYSA-N 0 0 275.421 3.945 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2nccn2C(C)C)cc1 ZINC000191578824 1128943921 /nfs/dbraw/zinc/94/39/21/1128943921.db2.gz JUDKNUISRJKZFE-UHFFFAOYSA-N 0 0 287.407 3.888 20 10 CHCDRN C[C@@H]1CC[N@H+](Cc2cccc(Br)c2[O-])C[C@@H]1C ZINC000162897167 1120924055 /nfs/dbraw/zinc/92/40/55/1120924055.db2.gz DGVBSGOMCNGWMY-MNOVXSKESA-N 0 0 298.224 3.633 20 10 CHCDRN Cc1c2ccccc2oc1C(=O)N(C)Cc1ccccc1O ZINC000053914601 1120943113 /nfs/dbraw/zinc/94/31/13/1120943113.db2.gz DJTCJLBIVGSZST-UHFFFAOYSA-N 0 0 295.338 3.719 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(NC2(CO)CCCC2)cc1 ZINC001167804962 1120962007 /nfs/dbraw/zinc/96/20/07/1120962007.db2.gz OWPHBNYKUMZQET-UHFFFAOYSA-N 0 0 284.403 3.811 20 10 CHCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C)CC(C)(C)C)c1 ZINC000773408706 1121055868 /nfs/dbraw/zinc/05/58/68/1121055868.db2.gz VBGMXMOCGPTVLH-NWDGAFQWSA-N 0 0 293.407 3.650 20 10 CHCDRN Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1cc(C)c(C)cc1O)N2 ZINC000078764062 1128961586 /nfs/dbraw/zinc/96/15/86/1128961586.db2.gz JEHGITYYTVGOMZ-KRWDZBQOSA-N 0 0 296.370 3.514 20 10 CHCDRN Cc1cc2c(cc1C)N(C(=O)/C=C\c1cccnc1C)CC2 ZINC001128783739 1121168978 /nfs/dbraw/zinc/16/89/78/1121168978.db2.gz WRHGUPBIMJFVSQ-SREVYHEPSA-N 0 0 292.382 3.609 20 10 CHCDRN Oc1cccc(Nc2cccc(C(F)(F)F)c2F)c1O ZINC001175136691 1121197856 /nfs/dbraw/zinc/19/78/56/1121197856.db2.gz GYVCDAFFYRDBNM-UHFFFAOYSA-N 0 0 287.212 3.999 20 10 CHCDRN C[C@@H]([NH2+]Cc1cncc(Cl)c1)c1ccc(N(C)C)cc1 ZINC000702965142 1121223536 /nfs/dbraw/zinc/22/35/36/1121223536.db2.gz CLKITALHUPZSOI-GFCCVEGCSA-N 0 0 289.810 3.652 20 10 CHCDRN Cc1cc(C(=O)N2CC(C)(C)C2)c(C)n1-c1cccc(C)c1 ZINC001139759389 1121225481 /nfs/dbraw/zinc/22/54/81/1121225481.db2.gz RFMOVGGWHJXGKO-UHFFFAOYSA-N 0 0 296.414 3.885 20 10 CHCDRN CCOc1cc(Nc2cccc(O)c2O)c(F)cc1F ZINC001212531826 1121233217 /nfs/dbraw/zinc/23/32/17/1121233217.db2.gz VHPDMDMEJBAZEV-UHFFFAOYSA-N 0 0 281.258 3.518 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC/C=C/C2CC2)cc1 ZINC001129138144 1121394029 /nfs/dbraw/zinc/39/40/29/1121394029.db2.gz YYDOQCYCINZMTJ-ONEGZZNKSA-N 0 0 294.398 3.790 20 10 CHCDRN CCC[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)C(C)C ZINC000763563184 1128983757 /nfs/dbraw/zinc/98/37/57/1128983757.db2.gz HBEDXCDMFBRZPX-AWEZNQCLSA-N 0 0 294.414 3.580 20 10 CHCDRN Oc1cccc(Br)c1C[NH2+][C@@H]1CC12CCCC2 ZINC000706868290 1121441931 /nfs/dbraw/zinc/44/19/31/1121441931.db2.gz AUPIVCDQEYUTSC-CYBMUJFWSA-N 0 0 296.208 3.577 20 10 CHCDRN Cc1ccnc(N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000182638619 1128989750 /nfs/dbraw/zinc/98/97/50/1128989750.db2.gz YTYRBQRDAHMBPU-CYBMUJFWSA-N 0 0 255.365 3.629 20 10 CHCDRN CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccccc1 ZINC000708422363 1121464099 /nfs/dbraw/zinc/46/40/99/1121464099.db2.gz XZGODZHEQGNUJN-HNNXBMFYSA-N 0 0 277.314 3.911 20 10 CHCDRN CCOc1ccc(NCc2cc(C)cc(OC)c2O)cc1 ZINC000894097196 1121474172 /nfs/dbraw/zinc/47/41/72/1121474172.db2.gz FRKSXJMTHNVIPL-UHFFFAOYSA-N 0 0 287.359 3.720 20 10 CHCDRN CCOc1ccccc1NCc1cc(C)cc(OC)c1O ZINC000894109426 1121544809 /nfs/dbraw/zinc/54/48/09/1121544809.db2.gz DEUCZFDKYXZZCN-UHFFFAOYSA-N 0 0 287.359 3.720 20 10 CHCDRN Nc1ccc(Nc2ccc3cc(O)ccc3c2)cc1 ZINC001176387915 1121609551 /nfs/dbraw/zinc/60/95/51/1121609551.db2.gz YSVPZSYXFYJXRY-UHFFFAOYSA-N 0 0 250.301 3.871 20 10 CHCDRN Cc1ncc(N(Cc2ccccc2)c2ccc(N)cc2)cn1 ZINC001176396555 1121625105 /nfs/dbraw/zinc/62/51/05/1121625105.db2.gz SVYMBMXPXJGPKY-UHFFFAOYSA-N 0 0 290.370 3.706 20 10 CHCDRN Cc1cc(N(CCO)c2ccc(N)cc2)c(F)cc1Cl ZINC001176526880 1121644428 /nfs/dbraw/zinc/64/44/28/1121644428.db2.gz YPMGRYSXNQRPIV-UHFFFAOYSA-N 0 0 294.757 3.500 20 10 CHCDRN C[C@@H]1C[C@@H](CC(=O)NCc2ccccc2O)CC(C)(C)C1 ZINC000727486912 1121721709 /nfs/dbraw/zinc/72/17/09/1121721709.db2.gz UPSLIRDIFULHRQ-KGLIPLIRSA-N 0 0 289.419 3.861 20 10 CHCDRN Cc1c(F)cccc1NCc1ccc(N(C)C)c(F)c1 ZINC001178051559 1121763961 /nfs/dbraw/zinc/76/39/61/1121763961.db2.gz XWVFEEYBTZRILX-UHFFFAOYSA-N 0 0 276.330 3.951 20 10 CHCDRN CC[C@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)C ZINC000729305936 1121774006 /nfs/dbraw/zinc/77/40/06/1121774006.db2.gz RZTUCYVJVLESPB-MRXNPFEDSA-N 0 0 290.451 3.783 20 10 CHCDRN CCN(C(=O)/C=C/c1cncc(F)c1)c1ccc(C)cc1C ZINC000729327545 1121777211 /nfs/dbraw/zinc/77/72/11/1121777211.db2.gz GNJMGVZUGHSQSR-SOFGYWHQSA-N 0 0 298.361 3.904 20 10 CHCDRN C[C@H]1CC[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC001178624224 1121800562 /nfs/dbraw/zinc/80/05/62/1121800562.db2.gz KFDSAQFZNAHIBH-UWVGGRQHSA-N 0 0 271.763 3.711 20 10 CHCDRN CCC[C@@H](C)NC(=O)N(CCC)Cc1ccccc1O ZINC000731281563 1121856349 /nfs/dbraw/zinc/85/63/49/1121856349.db2.gz NQCFGEKKXSURAV-CYBMUJFWSA-N 0 0 278.396 3.502 20 10 CHCDRN CC1(C)CCC[C@@H]1CC[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001179215298 1121858101 /nfs/dbraw/zinc/85/81/01/1121858101.db2.gz AGJIUFBPLDGIPA-CYBMUJFWSA-N 0 0 292.379 3.606 20 10 CHCDRN CCN(CC)c1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000731868400 1121890824 /nfs/dbraw/zinc/89/08/24/1121890824.db2.gz XQBKIFNYDTVKBL-UHFFFAOYSA-N 0 0 290.388 3.552 20 10 CHCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1c1cccc(F)c1 ZINC000732275515 1121913704 /nfs/dbraw/zinc/91/37/04/1121913704.db2.gz ZKTTWTXFJCRNHH-ZDUSSCGKSA-N 0 0 291.347 3.570 20 10 CHCDRN CCCCOc1ccccc1NC(=O)C1=CC(=O)CS1 ZINC000732275829 1121914558 /nfs/dbraw/zinc/91/45/58/1121914558.db2.gz PJJWHVHXDXVNBH-UHFFFAOYSA-N 0 0 291.372 3.885 20 10 CHCDRN O=C(C1=CC(=O)CS1)N1CCC(C2CCCCC2)CC1 ZINC000732272488 1121914876 /nfs/dbraw/zinc/91/48/76/1121914876.db2.gz IGCLAJQJPIWURQ-UHFFFAOYSA-N 0 0 293.432 3.886 20 10 CHCDRN CCCc1ccccc1NC(=O)C1=CC(=O)CS1 ZINC000732271780 1121915529 /nfs/dbraw/zinc/91/55/29/1121915529.db2.gz SBSDPWYYBNYSGG-UHFFFAOYSA-N 0 0 261.346 3.659 20 10 CHCDRN Oc1cc(F)c(F)cc1CN1CC[C@H]1c1cccc(F)c1 ZINC001179855231 1121915658 /nfs/dbraw/zinc/91/56/58/1121915658.db2.gz OXKYALCJAWHVHK-HNNXBMFYSA-N 0 0 293.288 3.757 20 10 CHCDRN CCC[C@@H](NC(=O)C1=CC(=O)CS1)C1CCCCC1 ZINC000732286219 1121915843 /nfs/dbraw/zinc/91/58/43/1121915843.db2.gz VQQQCNKHMOGAPG-CYBMUJFWSA-N 0 0 281.421 3.933 20 10 CHCDRN C[C@H](OC(=O)C1=CC(=O)CS1)c1ccc(F)c(F)c1 ZINC000732353730 1121918038 /nfs/dbraw/zinc/91/80/38/1121918038.db2.gz TUMSSVFVVSENHT-ZETCQYMHSA-N 0 0 284.283 3.650 20 10 CHCDRN CCN(C(=O)/C=C\c1cnc(C)s1)c1ccc(C)cc1 ZINC000732730160 1121937139 /nfs/dbraw/zinc/93/71/39/1121937139.db2.gz OHJZACBDSSGDOA-KTKRTIGZSA-N 0 0 286.400 3.826 20 10 CHCDRN C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC001180029870 1121940070 /nfs/dbraw/zinc/94/00/70/1121940070.db2.gz GSAOPCGWERGJPN-SNVBAGLBSA-N 0 0 271.763 3.807 20 10 CHCDRN CC(C)c1ccc(O)c(CN(C)Cc2cscn2)c1 ZINC001180252814 1121969720 /nfs/dbraw/zinc/96/97/20/1121969720.db2.gz BVVAMYVEZQKLJB-UHFFFAOYSA-N 0 0 276.405 3.604 20 10 CHCDRN Cc1cnc(COc2ccc3c(c2)c(C)c(C)n3C)o1 ZINC000421195460 1122081307 /nfs/dbraw/zinc/08/13/07/1122081307.db2.gz HOSJHWAAAUVPTQ-UHFFFAOYSA-N 0 0 270.332 3.671 20 10 CHCDRN CCC[C@@H](CN1CCCCc2cc(OC)ccc21)OC ZINC001182160310 1122115906 /nfs/dbraw/zinc/11/59/06/1122115906.db2.gz HFEQXXVDRUIWOF-INIZCTEOSA-N 0 0 277.408 3.653 20 10 CHCDRN CC[C@H](Nc1ccc(N2CCCC2)nc1)c1ccccc1O ZINC000192751608 1129034044 /nfs/dbraw/zinc/03/40/44/1129034044.db2.gz WQGAHYKRZOHASA-INIZCTEOSA-N 0 0 297.402 3.951 20 10 CHCDRN CC(C)[C@H]1[N@H+](Cc2cccc(F)c2[O-])CC12CCCC2 ZINC001182336181 1122145968 /nfs/dbraw/zinc/14/59/68/1122145968.db2.gz YDBZVOVGADCZFB-MRXNPFEDSA-N 0 0 277.383 3.932 20 10 CHCDRN CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774376446 1122157727 /nfs/dbraw/zinc/15/77/27/1122157727.db2.gz YGQIEFWNUPGDGJ-CIUDSAMLSA-N 0 0 292.206 3.773 20 10 CHCDRN CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000271786849 1122175771 /nfs/dbraw/zinc/17/57/71/1122175771.db2.gz FWMQCCHQOIMKPX-GXTWGEPZSA-N 0 0 297.826 3.729 20 10 CHCDRN Oc1c(Cl)cccc1CNc1cncc2c1CCCC2 ZINC001182845439 1122189993 /nfs/dbraw/zinc/18/99/93/1122189993.db2.gz SUICILKROUMRRJ-UHFFFAOYSA-N 0 0 288.778 3.932 20 10 CHCDRN CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2O)CCO1 ZINC000272895338 1122215426 /nfs/dbraw/zinc/21/54/26/1122215426.db2.gz UCOKMZLEGVZWJF-QLFBSQMISA-N 0 0 277.408 3.637 20 10 CHCDRN CC1(C)CCC(C[N@@H+]2Cc3cccc(O)c3C2)CC1 ZINC001183453772 1122223552 /nfs/dbraw/zinc/22/35/52/1122223552.db2.gz HEZRSNXTWOSORY-UHFFFAOYSA-N 0 0 259.393 3.924 20 10 CHCDRN CC1(C)C[C@]1(C)C[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001183573848 1122229564 /nfs/dbraw/zinc/22/95/64/1122229564.db2.gz WGLIZCJYBUHPRJ-CQSZACIVSA-N 0 0 253.773 3.571 20 10 CHCDRN Cc1cc(C)c(CNC(=O)C(C)(C)CC2CCC2)c(O)c1 ZINC001183944952 1122246197 /nfs/dbraw/zinc/24/61/97/1122246197.db2.gz MKIYKFGLGFQXKI-UHFFFAOYSA-N 0 0 289.419 3.842 20 10 CHCDRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1C(=O)NCc1ccccc1O ZINC001183914961 1122247210 /nfs/dbraw/zinc/24/72/10/1122247210.db2.gz KSIMCTGZVJFMPO-VNQPRFMTSA-N 0 0 289.419 3.717 20 10 CHCDRN CCC(C)(C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000760018372 1122292555 /nfs/dbraw/zinc/29/25/55/1122292555.db2.gz OGSDOBDYVMXVST-SECBINFHSA-N 0 0 257.324 3.757 20 10 CHCDRN Oc1ccc2c(c1CNc1nc(Cl)cs1)CCCC2 ZINC001185517707 1122345131 /nfs/dbraw/zinc/34/51/31/1122345131.db2.gz FUCPMRDXIBOEJW-UHFFFAOYSA-N 0 0 294.807 3.993 20 10 CHCDRN Oc1ccc(Cl)cc1CN1CCC[C@@H](F)C(F)(F)C1 ZINC001203651765 1122417269 /nfs/dbraw/zinc/41/72/69/1122417269.db2.gz UIHGUDYCIYRKLC-GFCCVEGCSA-N 0 0 293.716 3.615 20 10 CHCDRN C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1ccccc1O ZINC001187341073 1122426868 /nfs/dbraw/zinc/42/68/68/1122426868.db2.gz QVDMRKNKIWFQQC-MRVPVSSYSA-N 0 0 293.710 3.522 20 10 CHCDRN Cc1cnc([C@@H](C)[NH2+]Cc2cccc(Cl)c2[O-])s1 ZINC000135783217 1122449351 /nfs/dbraw/zinc/44/93/51/1122449351.db2.gz CVUMFEVQPMEXMU-SECBINFHSA-N 0 0 282.796 3.661 20 10 CHCDRN COc1cc(C)c(NCc2cc(F)ccc2O)cc1C ZINC000775183264 1122471489 /nfs/dbraw/zinc/47/14/89/1122471489.db2.gz JBQKQFLXLUOSDJ-UHFFFAOYSA-N 0 0 275.323 3.769 20 10 CHCDRN Cc1c(F)cccc1NC(=O)N[C@@H](C)c1ccccc1O ZINC001189070907 1122488436 /nfs/dbraw/zinc/48/84/36/1122488436.db2.gz LIPJXOOUXXRGCB-NSHDSACASA-N 0 0 288.322 3.722 20 10 CHCDRN COC(=O)c1cnc(SC[C@@H]2CC3CCC2CC3)s1 ZINC001189408053 1122500897 /nfs/dbraw/zinc/50/08/97/1122500897.db2.gz UTWLWMSYCDFDMR-ILDUYXDCSA-N 0 0 297.445 3.848 20 10 CHCDRN COc1ccc(C=O)cc1CSc1ncc(Cl)s1 ZINC001189830647 1122517057 /nfs/dbraw/zinc/51/70/57/1122517057.db2.gz BNEPFMHURAXOCN-UHFFFAOYSA-N 0 0 299.804 3.910 20 10 CHCDRN Cc1ccc(O)c(CNc2ccc3c(c2)OC(C)(C)O3)c1 ZINC000071407217 1129060051 /nfs/dbraw/zinc/06/00/51/1129060051.db2.gz GOADBBAYGBPLAU-UHFFFAOYSA-N 0 0 285.343 3.820 20 10 CHCDRN CCc1cccc(C)c1NC(=O)NCc1cccc(C)c1O ZINC001190004355 1122523042 /nfs/dbraw/zinc/52/30/42/1122523042.db2.gz DYXMVTGQUIEWMB-UHFFFAOYSA-N 0 0 298.386 3.893 20 10 CHCDRN C[C@@H]1CC(CC[NH2+]Cc2ccc(Cl)cc2[O-])C[C@@H](C)O1 ZINC001205506602 1122535547 /nfs/dbraw/zinc/53/55/47/1122535547.db2.gz BTUCMGXPCMZDKI-VXGBXAGGSA-N 0 0 297.826 3.729 20 10 CHCDRN CC[C@H]1CCCC[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC001151900672 1122562508 /nfs/dbraw/zinc/56/25/08/1122562508.db2.gz VPWITDKOSRTDIM-KCQAQPDRSA-N 0 0 275.392 3.786 20 10 CHCDRN CC[C@H]([NH2+]Cc1cccnc1)c1cccc(Cl)c1[O-] ZINC000287107796 1122565356 /nfs/dbraw/zinc/56/53/56/1122565356.db2.gz XDYOQGLHNIXVAL-AWEZNQCLSA-N 0 0 276.767 3.682 20 10 CHCDRN COc1cccc2c1CC[C@H]2[NH2+][C@@H](C)c1ccccc1O ZINC000183560011 1129065651 /nfs/dbraw/zinc/06/56/51/1129065651.db2.gz MPTHHTBVZDFVSB-BLLLJJGKSA-N 0 0 283.371 3.739 20 10 CHCDRN CC[C@@H](N[C@H](CC)c1ccccc1O)C(=O)OC(C)(C)C ZINC000775513517 1122632048 /nfs/dbraw/zinc/63/20/48/1122632048.db2.gz KMXLQZMSTKARMQ-ZIAGYGMSSA-N 0 0 293.407 3.553 20 10 CHCDRN CC[C@@H](Nc1ccc2c(c1)ncn2C)c1ccccc1O ZINC000775545211 1122656931 /nfs/dbraw/zinc/65/69/31/1122656931.db2.gz DGUFFYVNGNZNGT-CQSZACIVSA-N 0 0 281.359 3.842 20 10 CHCDRN CC[C@@H](Nc1cccc2c1OCO2)c1ccccc1O ZINC000775551984 1122661201 /nfs/dbraw/zinc/66/12/01/1122661201.db2.gz QCJGZVJAAMHKKC-GFCCVEGCSA-N 0 0 271.316 3.684 20 10 CHCDRN COCc1ccc(N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000193422280 1129076318 /nfs/dbraw/zinc/07/63/18/1129076318.db2.gz YDCNUKGNIVUKRV-GFCCVEGCSA-N 0 0 287.359 3.720 20 10 CHCDRN C[C@H](NC(=O)Oc1ccccc1)c1ccc(N(C)C)cc1 ZINC001194271474 1122763899 /nfs/dbraw/zinc/76/38/99/1122763899.db2.gz NOEBOLBVBAGCFX-ZDUSSCGKSA-N 0 0 284.359 3.602 20 10 CHCDRN CC[C@@H](C)COC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001194796508 1122800599 /nfs/dbraw/zinc/80/05/99/1122800599.db2.gz PSZOYICYFCGQEF-CQSZACIVSA-N 0 0 292.423 3.757 20 10 CHCDRN CCC[NH+](CCC)Cc1cc(Cl)cc(F)c1[O-] ZINC000775638278 1122842639 /nfs/dbraw/zinc/84/26/39/1122842639.db2.gz HFPHEJDJWDYJQW-UHFFFAOYSA-N 0 0 259.752 3.807 20 10 CHCDRN C[C@@H](c1ccco1)[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775648358 1122860006 /nfs/dbraw/zinc/86/00/06/1122860006.db2.gz FGRCBDRZCIMZOI-VIFPVBQESA-N 0 0 283.730 3.971 20 10 CHCDRN CSC[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775725232 1122926726 /nfs/dbraw/zinc/92/67/26/1122926726.db2.gz VPOBTMTUAFUWHB-LLVKDONJSA-N 0 0 289.803 3.512 20 10 CHCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)ccc2C)c1 ZINC000104124950 1122975752 /nfs/dbraw/zinc/97/57/52/1122975752.db2.gz JKMOLAKFMVTDPH-ZDUSSCGKSA-N 0 0 299.370 3.509 20 10 CHCDRN CC1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCCCC1 ZINC000775816993 1122981052 /nfs/dbraw/zinc/98/10/52/1122981052.db2.gz CMXTVZIOUXHSIK-UHFFFAOYSA-N 0 0 271.763 3.997 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc3c(c2)C(=O)OC3)cc1 ZINC001201497172 1123111055 /nfs/dbraw/zinc/11/10/55/1123111055.db2.gz DRHBTBZGIWQAFI-UHFFFAOYSA-N 0 0 282.343 3.921 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc3c(c2)OCC(=O)N3)cc1 ZINC001201498250 1123111071 /nfs/dbraw/zinc/11/10/71/1123111071.db2.gz UESUNHLHDVFLQZ-UHFFFAOYSA-N 0 0 297.358 3.581 20 10 CHCDRN CC(C)Nc1ccc(Nc2cccc3c2NC(=O)CO3)cc1 ZINC001201498094 1123111314 /nfs/dbraw/zinc/11/13/14/1123111314.db2.gz RJWRGCHRGGPIGJ-UHFFFAOYSA-N 0 0 297.358 3.581 20 10 CHCDRN CC(C)Nc1ccc(Nc2cccc3c2NC(=O)NC3)cc1 ZINC001201504688 1123113096 /nfs/dbraw/zinc/11/30/96/1123113096.db2.gz HGNUQPHVCIALKN-UHFFFAOYSA-N 0 0 296.374 3.886 20 10 CHCDRN COc1cc(CO)cc(Nc2ccc(NC(C)C)cc2)c1 ZINC001201505958 1123113369 /nfs/dbraw/zinc/11/33/69/1123113369.db2.gz TWCCBWHWYKZCPO-UHFFFAOYSA-N 0 0 286.375 3.751 20 10 CHCDRN COc1ccc(F)c(NCc2ccc(N(C)C)c(F)c2)c1 ZINC001201872012 1123156704 /nfs/dbraw/zinc/15/67/04/1123156704.db2.gz CWFZOSNENGBPMI-UHFFFAOYSA-N 0 0 292.329 3.652 20 10 CHCDRN C[C@@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1O ZINC001202025570 1123167315 /nfs/dbraw/zinc/16/73/15/1123167315.db2.gz FBPJYCWPYUOIEJ-SECBINFHSA-N 0 0 292.285 3.553 20 10 CHCDRN COc1cc(C)ccc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776250705 1123179028 /nfs/dbraw/zinc/17/90/28/1123179028.db2.gz KDRXCTTUXDRZPL-UHFFFAOYSA-N 0 0 291.778 3.652 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000776252456 1123179769 /nfs/dbraw/zinc/17/97/69/1123179769.db2.gz DNMJQOZXMDGMKF-OAHLLOKOSA-N 0 0 288.778 3.682 20 10 CHCDRN CSc1ccc(C)c(NC(=O)C2=CC(=O)CS2)c1 ZINC000776247161 1123181141 /nfs/dbraw/zinc/18/11/41/1123181141.db2.gz AKYALLSFZJHYDU-UHFFFAOYSA-N 0 0 279.386 3.736 20 10 CHCDRN CC(C)OCCCSc1ncc(Cl)s1 ZINC000850000371 1123236697 /nfs/dbraw/zinc/23/66/97/1123236697.db2.gz SHYXGLBAUDLWLT-UHFFFAOYSA-N 0 0 251.804 3.704 20 10 CHCDRN CC[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001202454184 1123209480 /nfs/dbraw/zinc/20/94/80/1123209480.db2.gz AQAWJWILFUKQBF-WDEREUQCSA-N 0 0 269.335 3.586 20 10 CHCDRN CC(C)(C[NH2+][C@@H]1CCc2cccc(O)c21)C(C)(F)F ZINC000696595989 1123220600 /nfs/dbraw/zinc/22/06/00/1123220600.db2.gz GMDFFSXQPIOXJB-LLVKDONJSA-N 0 0 269.335 3.651 20 10 CHCDRN CCc1noc([C@@H](C)Sc2ncc(Cl)s2)n1 ZINC000849999214 1123236306 /nfs/dbraw/zinc/23/63/06/1123236306.db2.gz PIFVYDBLFBNJMT-RXMQYKEDSA-N 0 0 275.786 3.595 20 10 CHCDRN Cc1cnc([C@@H](C)Sc2ncc(Cl)s2)cn1 ZINC000850000362 1123236753 /nfs/dbraw/zinc/23/67/53/1123236753.db2.gz RYNBBCSKYQZYRL-SSDOTTSWSA-N 0 0 271.798 3.748 20 10 CHCDRN Clc1cnc(SCc2cc(C3CC3)no2)s1 ZINC000850001929 1123236781 /nfs/dbraw/zinc/23/67/81/1123236781.db2.gz PKHLWNKXWIRTPX-UHFFFAOYSA-N 0 0 272.782 3.954 20 10 CHCDRN Clc1cnc(SCc2cc3n(n2)CCCC3)s1 ZINC000850001112 1123236937 /nfs/dbraw/zinc/23/69/37/1123236937.db2.gz BOLMCNWAIYAMFH-UHFFFAOYSA-N 0 0 285.825 3.622 20 10 CHCDRN Clc1cnc(SCCC[C@H]2CCOC2)s1 ZINC000850001675 1123237010 /nfs/dbraw/zinc/23/70/10/1123237010.db2.gz JVBSPRXBQYNHBT-QMMMGPOBSA-N 0 0 263.815 3.705 20 10 CHCDRN CC1(C)[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1(F)F ZINC000850394276 1123261697 /nfs/dbraw/zinc/26/16/97/1123261697.db2.gz OMMBCTMGEWESRY-SNVBAGLBSA-N 0 0 293.716 3.566 20 10 CHCDRN C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccccn1 ZINC000850483131 1123274240 /nfs/dbraw/zinc/27/42/40/1123274240.db2.gz ULSRSWJZDWCYCV-RYUDHWBXSA-N 0 0 290.794 3.895 20 10 CHCDRN CC[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(F)cc1[O-] ZINC000850537593 1123288312 /nfs/dbraw/zinc/28/83/12/1123288312.db2.gz WEGUNKDZUSUGLR-AAEUAGOBSA-N 0 0 273.298 3.617 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCc2ccc(O)cc21)c1ccc(F)cc1[O-] ZINC000850543771 1123289039 /nfs/dbraw/zinc/28/90/39/1123289039.db2.gz PQFMMLUOTSEMRI-HWPZZCPQSA-N 0 0 287.334 3.575 20 10 CHCDRN CCSC1(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000850553172 1123290186 /nfs/dbraw/zinc/29/01/86/1123290186.db2.gz TTZYDSHASILIEB-JTQLQIEISA-N 0 0 285.840 3.982 20 10 CHCDRN CCCN1CC[C@H]([NH2+][C@@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000850553829 1123290787 /nfs/dbraw/zinc/29/07/87/1123290787.db2.gz DHKLXZDYZXRNJG-WFASDCNBSA-N 0 0 296.842 3.571 20 10 CHCDRN CC[C@@H]([NH2+]CCCc1ccco1)c1ccc(F)cc1[O-] ZINC000850569487 1123294302 /nfs/dbraw/zinc/29/43/02/1123294302.db2.gz GBLALNIDOJXMGH-OAHLLOKOSA-N 0 0 277.339 3.798 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cccc(Cl)c1[O-] ZINC000850571283 1123295534 /nfs/dbraw/zinc/29/55/34/1123295534.db2.gz OXRFMOSEDDCLDL-FZMZJTMJSA-N 0 0 297.826 3.901 20 10 CHCDRN C[C@@H]([NH2+]C1CC(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000850575659 1123296571 /nfs/dbraw/zinc/29/65/71/1123296571.db2.gz BUBOLBYJMGRFQA-MRVPVSSYSA-N 0 0 255.308 3.510 20 10 CHCDRN Nc1ccc(NC(=O)NC2CCC(C3CCC3)CC2)cc1 ZINC000850750963 1123299981 /nfs/dbraw/zinc/29/99/81/1123299981.db2.gz REMDWWMOSFRMKN-UHFFFAOYSA-N 0 0 287.407 3.749 20 10 CHCDRN COc1ccc(N(Cc2cccc(F)n2)C(C)C)cc1F ZINC000851836667 1123384629 /nfs/dbraw/zinc/38/46/29/1123384629.db2.gz WOYHLQVYLVISBC-UHFFFAOYSA-N 0 0 292.329 3.783 20 10 CHCDRN COc1ccc(N(Cc2cccc(F)n2)CC2CC2)cc1 ZINC000852136093 1123397872 /nfs/dbraw/zinc/39/78/72/1123397872.db2.gz TUSBXMUYSATQQP-UHFFFAOYSA-N 0 0 286.350 3.646 20 10 CHCDRN Cc1cc(NCc2ccc(N(C)C)cc2C)ccc1N ZINC000853247861 1123430149 /nfs/dbraw/zinc/43/01/49/1123430149.db2.gz CYRIJXLITVDJMU-UHFFFAOYSA-N 0 0 269.392 3.564 20 10 CHCDRN CC(=O)c1ccnc(N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000853484211 1123441898 /nfs/dbraw/zinc/44/18/98/1123441898.db2.gz BLZYRSCATJTFNW-GFCCVEGCSA-N 0 0 283.375 3.523 20 10 CHCDRN CCOC(=O)c1cnc(SC/C(C)=C/Cl)s1 ZINC000853565781 1123444116 /nfs/dbraw/zinc/44/41/16/1123444116.db2.gz ACQNYFCVWHHGHQ-QPJJXVBHSA-N 0 0 277.798 3.555 20 10 CHCDRN CC1=CC[C@](C)(c2nc(Cc3ccc(N)cc3)no2)CC1 ZINC000854133774 1123470049 /nfs/dbraw/zinc/47/00/49/1123470049.db2.gz JTFZHRYEVYLVGK-KRWDZBQOSA-N 0 0 283.375 3.631 20 10 CHCDRN COCCCC1(C[NH2+][C@@H](C)c2ccccc2O)CCC1 ZINC000895852343 1123522843 /nfs/dbraw/zinc/52/28/43/1123522843.db2.gz SHTQTBWWXKQVCC-AWEZNQCLSA-N 0 0 277.408 3.640 20 10 CHCDRN CC1CCC(=CC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000114635150 1123570828 /nfs/dbraw/zinc/57/08/28/1123570828.db2.gz DFGQWFGMQFAPLW-UHFFFAOYSA-N 0 0 286.419 3.505 20 10 CHCDRN CC[C@H](C)[C@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000194174258 1129131402 /nfs/dbraw/zinc/13/14/02/1129131402.db2.gz OZMFTJSFHFMLFT-JSGCOSHPSA-N 0 0 299.418 3.654 20 10 CHCDRN CCc1ccc(C(=O)NCc2cc(Cl)ccc2O)s1 ZINC000857547791 1123606595 /nfs/dbraw/zinc/60/65/95/1123606595.db2.gz UFBJTYNBGASRKC-UHFFFAOYSA-N 0 0 295.791 3.600 20 10 CHCDRN c1coc(-c2cc(CSc3nccs3)no2)c1 ZINC000194355909 1129133396 /nfs/dbraw/zinc/13/33/96/1129133396.db2.gz KTTCGZOPTHMHED-UHFFFAOYSA-N 0 0 264.331 3.683 20 10 CHCDRN Cc1ccc(-c2nc(-c3ccc(O)c(O)c3)cs2)o1 ZINC000115594830 1123618950 /nfs/dbraw/zinc/61/89/50/1123618950.db2.gz CEMKLKPGJFVBOX-UHFFFAOYSA-N 0 0 273.313 3.790 20 10 CHCDRN Cc1csc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858172569 1123635952 /nfs/dbraw/zinc/63/59/52/1123635952.db2.gz CBWJTAKOJOSMOO-UHFFFAOYSA-N 0 0 296.386 3.691 20 10 CHCDRN CN(C)c1ccc(CNc2nc(Cl)cs2)cc1F ZINC000858373502 1123648638 /nfs/dbraw/zinc/64/86/38/1123648638.db2.gz HTSVKSLFHCTKSS-UHFFFAOYSA-N 0 0 285.775 3.614 20 10 CHCDRN CCC(F)(F)CN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000858506285 1123658337 /nfs/dbraw/zinc/65/83/37/1123658337.db2.gz FPATVLHCBUJXOT-PSASIEDQSA-N 0 0 273.298 3.715 20 10 CHCDRN COc1ccc(N(Cc2ccncc2C)C(C)C)cc1F ZINC000859184781 1123689638 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1124088875 /nfs/dbraw/zinc/08/88/75/1124088875.db2.gz ATPDXRMWBKZDRD-GXFFZTMASA-N 0 0 293.798 3.581 20 10 CHCDRN Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000868070038 1124457087 /nfs/dbraw/zinc/45/70/87/1124457087.db2.gz ZORMGZPCTJUSOQ-KGLIPLIRSA-N 0 0 298.386 3.822 20 10 CHCDRN CCc1ccccc1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868298303 1124465329 /nfs/dbraw/zinc/46/53/29/1124465329.db2.gz NVZSCGDJWFZXTB-CYBMUJFWSA-N 0 0 298.386 3.515 20 10 CHCDRN COc1cccc(CNc2ccc3c(c2)OCC3(C)C)c1O ZINC000527744415 1124584587 /nfs/dbraw/zinc/58/45/87/1124584587.db2.gz LXXZIPBKWNHNBM-UHFFFAOYSA-N 0 0 299.370 3.683 20 10 CHCDRN C[C@@H](CC(=O)N1Cc2cccc(O)c2C1)c1cccc(F)c1 ZINC000871202397 1124602252 /nfs/dbraw/zinc/60/22/52/1124602252.db2.gz GNMZCSMYSFPSIC-LBPRGKRZSA-N 0 0 299.345 3.567 20 10 CHCDRN C[C@@H](CCC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871203918 1124602326 /nfs/dbraw/zinc/60/23/26/1124602326.db2.gz VEPDKJAROQYTET-AWEZNQCLSA-N 0 0 295.382 3.818 20 10 CHCDRN CC(C)(C(=O)N1Cc2cccc(O)c2C1)C1CCCCC1 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C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1cc(F)cc(F)c1[O-] ZINC001120261126 1131273821 /nfs/dbraw/zinc/27/38/21/1131273821.db2.gz ZKIKNKAAQZALRZ-OTQBISOXSA-N 0 0 299.386 3.748 20 10 CHCDRN c1cc(N2CCCC2)ccc1OCc1nc2c(o1)CCCC2 ZINC000871736666 1124634529 /nfs/dbraw/zinc/63/45/29/1124634529.db2.gz UDWMCTZYNYTDAE-UHFFFAOYSA-N 0 0 298.386 3.733 20 10 CHCDRN CCCCOc1ncc(-c2ncnc3c2ccn3C)cc1C ZINC001238960259 1131278900 /nfs/dbraw/zinc/27/89/00/1131278900.db2.gz PCZYNKZWJVBXOV-UHFFFAOYSA-N 0 0 296.374 3.518 20 10 CHCDRN CCCOc1ccc(CN[C@H]2C[C@H](C)n3ccnc32)cc1C ZINC000873129266 1124739908 /nfs/dbraw/zinc/73/99/08/1124739908.db2.gz JHZVKCPWTHEXDW-HOCLYGCPSA-N 0 0 299.418 3.776 20 10 CHCDRN Cc1cc(NC(=O)NCc2ccc(N)cc2)ccc1Cl ZINC001239220842 1131307229 /nfs/dbraw/zinc/30/72/29/1131307229.db2.gz RQYFYNQINWLHAN-UHFFFAOYSA-N 0 0 289.766 3.552 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]CC1CCCCC1 ZINC000124649776 1124803142 /nfs/dbraw/zinc/80/31/42/1124803142.db2.gz BEYDAWGRBXKPHX-UHFFFAOYSA-N 0 0 253.773 3.716 20 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CHCDRN CCCCC[C@H](C)CC(=O)N(C)c1ccc(N)cc1 ZINC000877078698 1125006279 /nfs/dbraw/zinc/00/62/79/1125006279.db2.gz ZTJACBKRWIFVKC-ZDUSSCGKSA-N 0 0 262.397 3.838 20 10 CHCDRN CCCCn1ncc(NCc2ccc(C)cc2O)c1C ZINC000877133408 1125013779 /nfs/dbraw/zinc/01/37/79/1125013779.db2.gz IUGPXSMUAYKQAP-UHFFFAOYSA-N 0 0 273.380 3.618 20 10 CHCDRN Cc1ccc(CNc2cc(C3CC3)ccn2)c(O)c1 ZINC000877541026 1125041771 /nfs/dbraw/zinc/04/17/71/1125041771.db2.gz KQYQDOYLBPVENX-UHFFFAOYSA-N 0 0 254.333 3.585 20 10 CHCDRN Cc1nccc(Sc2ncc(C(C)(C)C)s2)n1 ZINC000163320328 1125043094 /nfs/dbraw/zinc/04/30/94/1125043094.db2.gz PCJQZDPSZUGWEI-UHFFFAOYSA-N 0 0 265.407 3.690 20 10 CHCDRN COC(=O)[C@@H](C)c1cccc(NCc2ccc(C)cc2O)c1 ZINC000877587761 1125049952 /nfs/dbraw/zinc/04/99/52/1125049952.db2.gz HXOIZWVJHOSTMX-ZDUSSCGKSA-N 0 0 299.370 3.589 20 10 CHCDRN [O-]c1c(C[N@@H+]2CCSC3(CCC3)CC2)ccc(F)c1F ZINC000877587099 1125050365 /nfs/dbraw/zinc/05/03/65/1125050365.db2.gz DSABSGKWBLGTJR-UHFFFAOYSA-N 0 0 299.386 3.532 20 10 CHCDRN CC(C)(C)c1nc(CN2Cc3cccc(O)c3C2)cs1 ZINC000877703773 1125065350 /nfs/dbraw/zinc/06/53/50/1125065350.db2.gz UBUPYVBYBNFCOZ-UHFFFAOYSA-N 0 0 288.416 3.662 20 10 CHCDRN CCN(Cc1coc(C2CC2)n1)c1ccc(OC)cc1 ZINC000878219825 1125133008 /nfs/dbraw/zinc/13/30/08/1125133008.db2.gz RXGLYZSOPDHJCR-UHFFFAOYSA-N 0 0 272.348 3.587 20 10 CHCDRN CC(C)c1cc(NCc2cccc(Cl)c2O)ncn1 ZINC000897392131 1125288783 /nfs/dbraw/zinc/28/87/83/1125288783.db2.gz OBDQRRDQUHKSMI-UHFFFAOYSA-N 0 0 277.755 3.571 20 10 CHCDRN CCOc1cccc(C[N@@H+]2CCCC(C)(C)CC2)c1O ZINC000211479043 1125306749 /nfs/dbraw/zinc/30/67/49/1125306749.db2.gz TUOPSYIFSFOVRH-UHFFFAOYSA-N 0 0 277.408 3.803 20 10 CHCDRN CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883099209 1125371509 /nfs/dbraw/zinc/37/15/09/1125371509.db2.gz MVHFLFXLRJMEAK-NSHDSACASA-N 0 0 297.267 3.737 20 10 CHCDRN Nc1ccc(Cc2ccccc2Nc2cccc(=O)[nH]2)cc1 ZINC001212792250 1125375111 /nfs/dbraw/zinc/37/51/11/1125375111.db2.gz JBLFWCGMBYNZCH-UHFFFAOYSA-N 0 0 291.354 3.704 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000310873628 1125390045 /nfs/dbraw/zinc/39/00/45/1125390045.db2.gz QESHCDCZGWFBHA-VXGBXAGGSA-N 0 0 265.784 3.668 20 10 CHCDRN CC[N@H+](Cc1cccc(OC)c1O)C1CCCCC1 ZINC000131771031 1125409681 /nfs/dbraw/zinc/40/96/81/1125409681.db2.gz HABRLANHCNJIBL-UHFFFAOYSA-N 0 0 263.381 3.555 20 10 CHCDRN COc1ccc2c(c1)CCCCN2C[C@@H](CC(C)C)OC ZINC001168244790 1125429617 /nfs/dbraw/zinc/42/96/17/1125429617.db2.gz TZHYPJFGMKPNLS-QGZVFWFLSA-N 0 0 291.435 3.899 20 10 CHCDRN C[C@@H]1CN(C(=O)/C=C/c2cccnc2)c2ccccc2S1 ZINC000088222569 1129200326 /nfs/dbraw/zinc/20/03/26/1129200326.db2.gz PCRLWEQSXCPFSZ-MMQHEFTJSA-N 0 0 296.395 3.622 20 10 CHCDRN COc1ccc(CNc2ccc3ccccc3n2)c(O)c1 ZINC000795285891 1129209537 /nfs/dbraw/zinc/20/95/37/1129209537.db2.gz VDCRODHVQJQUOE-UHFFFAOYSA-N 0 0 280.327 3.561 20 10 CHCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001237934130 1129219138 /nfs/dbraw/zinc/21/91/38/1129219138.db2.gz HSRQAJZWSPUGHD-GHMZBOCLSA-N 0 0 283.774 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CHCDRN CCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)C1CCC1 ZINC000737866368 1129388572 /nfs/dbraw/zinc/38/85/72/1129388572.db2.gz HBSULZMQWPAHTK-UHFFFAOYSA-N 0 0 297.402 3.504 20 10 CHCDRN CCOc1ccc(N(C)Cc2cccc(F)c2F)cc1 ZINC000739923216 1129409994 /nfs/dbraw/zinc/40/99/94/1129409994.db2.gz ZJDGWFVGTYXQFN-UHFFFAOYSA-N 0 0 277.314 4.000 20 10 CHCDRN CC[C@@H]1CCC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000822265857 1131372549 /nfs/dbraw/zinc/37/25/49/1131372549.db2.gz YQJHOIYLAIYQBP-WBVHZDCISA-N 0 0 288.435 3.537 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](C)C[C@H]2C)cc1 ZINC000740840140 1129420863 /nfs/dbraw/zinc/42/08/63/1129420863.db2.gz SUANVOYTHKGKQZ-CZUORRHYSA-N 0 0 296.414 3.965 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](C)C[C@@H]2C)cc1 ZINC000740840138 1129421037 /nfs/dbraw/zinc/42/10/37/1129421037.db2.gz SUANVOYTHKGKQZ-BBRMVZONSA-N 0 0 296.414 3.965 20 10 CHCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCC1 ZINC000093475820 1129424332 /nfs/dbraw/zinc/42/43/32/1129424332.db2.gz 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20 10 CHCDRN C[C@@H]([NH2+][C@H](c1ccccn1)C1CC1)c1ccc(F)cc1[O-] ZINC000903334807 1130160413 /nfs/dbraw/zinc/16/04/13/1130160413.db2.gz GOZXAJLNKYXCQU-DIFFPNOSSA-N 0 0 286.350 3.728 20 10 CHCDRN C=C/C(C)=C/CC(=O)N(CCC)Cc1ccccc1O ZINC000788656585 1130200678 /nfs/dbraw/zinc/20/06/78/1130200678.db2.gz SBJRVWKFEIFTHT-GXDHUFHOSA-N 0 0 273.376 3.653 20 10 CHCDRN Cc1ccc(O)c(CNc2nnc(-c3ccccc3C)o2)c1 ZINC000788866877 1130216354 /nfs/dbraw/zinc/21/63/54/1130216354.db2.gz IPMFKRVCRQKLIA-UHFFFAOYSA-N 0 0 295.342 3.671 20 10 CHCDRN CCC[C@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000748354887 1130229704 /nfs/dbraw/zinc/22/97/04/1130229704.db2.gz ORIZWPSKENIUNL-INIZCTEOSA-N 0 0 283.371 3.592 20 10 CHCDRN CCCCc1ccc(CC(=O)NCc2ccccc2O)cc1 ZINC000748353875 1130229758 /nfs/dbraw/zinc/22/97/58/1130229758.db2.gz QGFVIBLWCMMVDJ-UHFFFAOYSA-N 0 0 297.398 3.594 20 10 CHCDRN COCCNc1cc2oc3ccccc3c2cc1OC ZINC000748451761 1130234141 /nfs/dbraw/zinc/23/41/41/1130234141.db2.gz DIFUAYDUVURQEM-UHFFFAOYSA-N 0 0 271.316 3.653 20 10 CHCDRN CCN(Cc1ccnc(Cl)c1)c1ccc(OC)cc1 ZINC000748803180 1130249420 /nfs/dbraw/zinc/24/94/20/1130249420.db2.gz SADXZOVGRZHSEV-UHFFFAOYSA-N 0 0 276.767 3.770 20 10 CHCDRN CC[C@](C)(NC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000826804502 1130282868 /nfs/dbraw/zinc/28/28/68/1130282868.db2.gz ZVCXAPNBMCYOOD-HNNXBMFYSA-N 0 0 275.373 3.509 20 10 CHCDRN CCN1C(=O)/C(=C/c2ccsc2Cl)SC1=S ZINC000790097703 1130290299 /nfs/dbraw/zinc/29/02/99/1130290299.db2.gz YABVTCCLYXYIAD-ALCCZGGFSA-N 0 0 289.834 3.623 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(-c2cnc3ccnn3c2)cc1 ZINC001240429394 1130307386 /nfs/dbraw/zinc/30/73/86/1130307386.db2.gz UUVQBBIZIOWSCZ-UHFFFAOYSA-N 0 0 288.354 3.804 20 10 CHCDRN CCOc1ncccc1-c1cccc2c1ccn2C ZINC001240495118 1130328768 /nfs/dbraw/zinc/32/87/68/1130328768.db2.gz OBSXFRFXILNQKO-UHFFFAOYSA-N 0 0 252.317 3.639 20 10 CHCDRN CO[C@@H]1CCOc2c(NCc3cccc(C)c3O)cccc21 ZINC000790943342 1130339869 /nfs/dbraw/zinc/33/98/69/1130339869.db2.gz JVILJOMDNTUFMC-MRXNPFEDSA-N 0 0 299.370 3.783 20 10 CHCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCc1ccc(F)cc1 ZINC000790945343 1130340388 /nfs/dbraw/zinc/34/03/88/1130340388.db2.gz NINKMHDDQWUKHL-UHFFFAOYSA-N 0 0 297.732 3.656 20 10 CHCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCCCS1 ZINC000790986794 1130342068 /nfs/dbraw/zinc/34/20/68/1130342068.db2.gz VIFAHYXNYRVXEM-VIFPVBQESA-N 0 0 289.803 3.560 20 10 CHCDRN COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@H]2CC[C@@H](C)C2)C1 ZINC001170152353 1130361189 /nfs/dbraw/zinc/36/11/89/1130361189.db2.gz KQJOUJKBZSGXHW-KGLIPLIRSA-N 0 0 298.430 3.734 20 10 CHCDRN CC(=O)Nc1cc(C)c(-c2ccc3ccn(C)c3c2)cn1 ZINC001240574954 1130367884 /nfs/dbraw/zinc/36/78/84/1130367884.db2.gz MCSNCTMUVIVRRH-UHFFFAOYSA-N 0 0 279.343 3.507 20 10 CHCDRN Cn1ccc2ccc(-c3cccc4ccc(N)nc43)cc21 ZINC001240575823 1130369419 /nfs/dbraw/zinc/36/94/19/1130369419.db2.gz DSTCJDWHUFHUMB-UHFFFAOYSA-N 0 0 273.339 3.976 20 10 CHCDRN Cn1ccc2ccc(-c3cccc4ncn(C)c43)cc21 ZINC001240577120 1130369924 /nfs/dbraw/zinc/36/99/24/1130369924.db2.gz PFHRQONGNGKXFD-UHFFFAOYSA-N 0 0 261.328 3.732 20 10 CHCDRN COC(C)(C)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000756646095 1130432726 /nfs/dbraw/zinc/43/27/26/1130432726.db2.gz KKFVZONXJZDYDI-MRVPVSSYSA-N 0 0 292.206 3.775 20 10 CHCDRN Cc1ncccc1-c1cc(N2CCc3ccccc32)ncn1 ZINC001240722577 1130439538 /nfs/dbraw/zinc/43/95/38/1130439538.db2.gz OHLWZAKNIYOLKG-UHFFFAOYSA-N 0 0 288.354 3.541 20 10 CHCDRN CC(C)Cn1ccc(-c2cncc(C(F)(F)F)c2)cc1=O ZINC001240793873 1130476083 /nfs/dbraw/zinc/47/60/83/1130476083.db2.gz OASKZNUWJPOKPZ-UHFFFAOYSA-N 0 0 296.292 3.585 20 10 CHCDRN O=C(CNc1cccc(C2CCC2)c1)c1ccc(O)c(O)c1 ZINC001170321172 1130482030 /nfs/dbraw/zinc/48/20/30/1130482030.db2.gz WFMOKOAKGOVCAX-UHFFFAOYSA-N 0 0 297.354 3.660 20 10 CHCDRN CC(C)(C)c1ccc(NCC(=O)c2ccc(O)c(O)c2)cc1 ZINC001170316438 1130482304 /nfs/dbraw/zinc/48/23/04/1130482304.db2.gz RMYIWRLAWLGAGB-UHFFFAOYSA-N 0 0 299.370 3.690 20 10 CHCDRN C[C@]1(CC[NH2+]Cc2cccc(Cl)c2[O-])CC1(F)F ZINC000827251315 1130529691 /nfs/dbraw/zinc/52/96/91/1130529691.db2.gz GMZWTYUQNQBSGJ-LBPRGKRZSA-N 0 0 275.726 3.571 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCC2(C)CC2)c1 ZINC000793198799 1130529796 /nfs/dbraw/zinc/52/97/96/1130529796.db2.gz MLWUZDMATOUARY-UHFFFAOYSA-N 0 0 298.224 3.743 20 10 CHCDRN C[C@@H]1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000793347675 1130548474 /nfs/dbraw/zinc/54/84/74/1130548474.db2.gz VXLXLVYJHIJOFW-NXEZZACHSA-N 0 0 271.763 3.711 20 10 CHCDRN CCc1cccc(CNc2ccc3c(c2)CCOC3)c1O ZINC000827321395 1130556723 /nfs/dbraw/zinc/55/67/23/1130556723.db2.gz PDAZCRSZFZJNLN-UHFFFAOYSA-N 0 0 283.371 3.639 20 10 CHCDRN CCOc1ccc(N(CC)Cc2cnccc2C)cc1 ZINC000747681650 1130592226 /nfs/dbraw/zinc/59/22/26/1130592226.db2.gz FGFUJFSXYMCGTA-UHFFFAOYSA-N 0 0 270.376 3.815 20 10 CHCDRN COc1ccc2c(c1)CCCCN2Cc1ccoc1 ZINC000811508508 1130618789 /nfs/dbraw/zinc/61/87/89/1130618789.db2.gz UIZQRTUKWIEVMN-UHFFFAOYSA-N 0 0 257.333 3.631 20 10 CHCDRN C[C@H]1C[N@H+](Cc2c([O-])ccc(Cl)c2F)CCC1(F)F ZINC000811512726 1130619186 /nfs/dbraw/zinc/61/91/86/1130619186.db2.gz 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/nfs/dbraw/zinc/69/16/99/1130691699.db2.gz ABEKUVDKZQDUQI-UHFFFAOYSA-N 0 0 281.352 3.541 20 10 CHCDRN CN(Cc1nccc2ccccc21)c1ccc2c(c1)OCO2 ZINC000780778183 1130691858 /nfs/dbraw/zinc/69/18/58/1130691858.db2.gz FLRQLUYMIBHCAK-UHFFFAOYSA-N 0 0 292.338 3.600 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)/C(C)=C(/C)CC ZINC000780969733 1130696878 /nfs/dbraw/zinc/69/68/78/1130696878.db2.gz RYEWPHJXYVLOFK-YPKPFQOOSA-N 0 0 275.392 3.877 20 10 CHCDRN Cc1ccc(C(=O)Nc2csc3ccccc23)c(O)c1O ZINC000781022388 1130699466 /nfs/dbraw/zinc/69/94/66/1130699466.db2.gz ZONKGLWLBNYHHF-UHFFFAOYSA-N 0 0 299.351 3.873 20 10 CHCDRN CC1(F)CN(Cc2cccc(-c3ccccc3)c2O)C1 ZINC001235000041 1130700077 /nfs/dbraw/zinc/70/00/77/1130700077.db2.gz HGHWVOYSUZRSIO-UHFFFAOYSA-N 0 0 271.335 3.603 20 10 CHCDRN O=C(Nc1cccc(C2CCC2)c1)c1cccc(O)c1O ZINC000812661762 1130705519 /nfs/dbraw/zinc/70/55/19/1130705519.db2.gz QPCUOFFFKRRWGM-UHFFFAOYSA-N 0 0 283.327 3.618 20 10 CHCDRN CCN(C(=O)/C=C/c1cncc(C)c1)c1ccc(F)c(C)c1 ZINC001133440632 1130713206 /nfs/dbraw/zinc/71/32/06/1130713206.db2.gz SLCFVGWPTLCINO-VMPITWQZSA-N 0 0 298.361 3.904 20 10 CHCDRN O=C(NCc1ccccc1O)Nc1cccc(C2CCC2)c1 ZINC000812993059 1130729635 /nfs/dbraw/zinc/72/96/35/1130729635.db2.gz GURQTOLGMIGTKT-UHFFFAOYSA-N 0 0 296.370 3.981 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](C)[C@H]2C)c1 ZINC000781907211 1130747558 /nfs/dbraw/zinc/74/75/58/1130747558.db2.gz GMGLBHRTTNLKSR-GHMZBOCLSA-N 0 0 298.224 3.693 20 10 CHCDRN CC(C)(C)c1ccc(CN2Cc3ccncc3C2)c(O)c1 ZINC001235686230 1130768266 /nfs/dbraw/zinc/76/82/66/1130768266.db2.gz YTUYISBDKKAEER-UHFFFAOYSA-N 0 0 282.387 3.601 20 10 CHCDRN COc1ccc2c(c1)CCN2Cc1cccc2cnccc21 ZINC000783372534 1130819065 /nfs/dbraw/zinc/81/90/65/1130819065.db2.gz PWAYNBPXQXDQHK-UHFFFAOYSA-N 0 0 290.366 3.806 20 10 CHCDRN C[C@@H](Cc1ccsc1)N(C)c1ccc2c(c1)OCO2 ZINC000783592249 1130842539 /nfs/dbraw/zinc/84/25/39/1130842539.db2.gz ZVSRBWGVAICURB-NSHDSACASA-N 0 0 275.373 3.544 20 10 CHCDRN Cc1ccncc1/C=C\C(=O)N1CCCCc2ccccc21 ZINC000783894703 1130862081 /nfs/dbraw/zinc/86/20/81/1130862081.db2.gz MYOUJJRFYDSQOU-KTKRTIGZSA-N 0 0 292.382 3.773 20 10 CHCDRN Cc1ccncc1/C=C/C(=O)N1CC[C@@H](C)c2ccccc21 ZINC000783903448 1130862506 /nfs/dbraw/zinc/86/25/06/1130862506.db2.gz KVCCDNUZNFEWMR-MVGZEHJDSA-N 0 0 292.382 3.944 20 10 CHCDRN Cc1ccncc1/C=C\C(=O)N1CCCc2cc(F)ccc21 ZINC000783895427 1130862733 /nfs/dbraw/zinc/86/27/33/1130862733.db2.gz IBRVZKRCZYMOSX-DAXSKMNVSA-N 0 0 296.345 3.522 20 10 CHCDRN Cc1cccc(N(C)C(=O)/C=C\c2cnccc2C)c1C ZINC000783920151 1130863826 /nfs/dbraw/zinc/86/38/26/1130863826.db2.gz OCHASIWTUOMANQ-HJWRWDBZSA-N 0 0 280.371 3.683 20 10 CHCDRN Cc1ccc(C[C@@H](C)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827970181 1130867504 /nfs/dbraw/zinc/86/75/04/1130867504.db2.gz YYEYZTYQRFTBJZ-CABCVRRESA-N 0 0 297.398 3.757 20 10 CHCDRN CC[C@H]([NH2+]CCc1cccs1)c1ccc(F)cc1[O-] ZINC000796670208 1130923293 /nfs/dbraw/zinc/92/32/93/1130923293.db2.gz BVIGCNSAXDIPMM-AWEZNQCLSA-N 0 0 279.380 3.876 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)Cc1ccco1)c1ccc(F)cc1[O-] ZINC000796677131 1130924008 /nfs/dbraw/zinc/92/40/08/1130924008.db2.gz AABLHWDYRFQBAL-NHYWBVRUSA-N 0 0 277.339 3.796 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CC[C@@H](SC)C1)c1ccc(F)cc1[O-] ZINC000796774366 1130931125 /nfs/dbraw/zinc/93/11/25/1130931125.db2.gz DPTQSCINAJKZCA-SCRDCRAPSA-N 0 0 283.412 3.856 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CC[C@H](SC)C1)c1ccc(F)cc1[O-] ZINC000796774365 1130931462 /nfs/dbraw/zinc/93/14/62/1130931462.db2.gz DPTQSCINAJKZCA-OBJOEFQTSA-N 0 0 283.412 3.856 20 10 CHCDRN CC[C@H]([NH2+]CCc1cnc(C)s1)c1ccc(F)cc1[O-] ZINC000796838072 1130937968 /nfs/dbraw/zinc/93/79/68/1130937968.db2.gz GANFOCPQMYRXPN-AWEZNQCLSA-N 0 0 294.395 3.580 20 10 CHCDRN CC[C@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796857699 1130940749 /nfs/dbraw/zinc/94/07/49/1130940749.db2.gz SZAMFJULTHKZEI-PGUXBMHVSA-N 0 0 281.371 3.528 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CC[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000796945993 1130948227 /nfs/dbraw/zinc/94/82/27/1130948227.db2.gz CZOAUDBPNWHHGP-JKOKRWQUSA-N 0 0 251.345 3.761 20 10 CHCDRN COc1cccc(O)c1CNc1ccc(C2CCC2)cn1 ZINC000815161008 1130964059 /nfs/dbraw/zinc/96/40/59/1130964059.db2.gz VCVBWDALPPYNIG-UHFFFAOYSA-N 0 0 284.359 3.675 20 10 CHCDRN COc1cccc(O)c1CNc1ccc([C@H]2CCOC2)cc1 ZINC000815153985 1130964092 /nfs/dbraw/zinc/96/40/92/1130964092.db2.gz KUJMKXYMNMAPPH-AWEZNQCLSA-N 0 0 299.370 3.517 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000797604274 1130997074 /nfs/dbraw/zinc/99/70/74/1130997074.db2.gz MWJZHTRVDMEBLS-MRVPVSSYSA-N 0 0 293.716 3.710 20 10 CHCDRN C[C@H](NC1(C(F)F)CC1)c1cccc(C(F)(F)F)c1O ZINC000815623255 1131010444 /nfs/dbraw/zinc/01/04/44/1131010444.db2.gz RXPDPHMNOGMHCS-ZETCQYMHSA-N 0 0 295.251 3.859 20 10 CHCDRN COc1ccc(C[NH+]2CCC3(CCC3)CC2)c([O-])c1Cl ZINC001236801678 1131010773 /nfs/dbraw/zinc/01/07/73/1131010773.db2.gz LIAGWNPDZDTJRD-UHFFFAOYSA-N 0 0 295.810 3.820 20 10 CHCDRN CCCCC[N@H+](C)Cc1ccc(OC)c(Cl)c1[O-] ZINC001236804855 1131011353 /nfs/dbraw/zinc/01/13/53/1131011353.db2.gz BRGMGFYSGVJOPV-UHFFFAOYSA-N 0 0 271.788 3.676 20 10 CHCDRN CCCC[N@H+](CC)Cc1ccc(OC)c(Cl)c1[O-] ZINC001236806705 1131012579 /nfs/dbraw/zinc/01/25/79/1131012579.db2.gz ZWEQKZNSCULRRO-UHFFFAOYSA-N 0 0 271.788 3.676 20 10 CHCDRN C[C@@H]([NH2+]CC[C@H](C)F)c1cccc(C(F)(F)F)c1[O-] ZINC000815645306 1131015002 /nfs/dbraw/zinc/01/50/02/1131015002.db2.gz BCWSYGXRKPACQR-DTWKUNHWSA-N 0 0 279.277 3.810 20 10 CHCDRN CCOC1(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CCCC1 ZINC000815644516 1131015045 /nfs/dbraw/zinc/01/50/45/1131015045.db2.gz DOKHSMCZOGIXGP-LLVKDONJSA-N 0 0 299.361 3.670 20 10 CHCDRN C[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2O)CC[C@]1(C)O ZINC001236827947 1131015563 /nfs/dbraw/zinc/01/55/63/1131015563.db2.gz XJKLBNIXGRYKFZ-KUHUBIRLSA-N 0 0 299.414 3.528 20 10 CHCDRN C[C@@H]1C[N@H+](Cc2cc3ccccc3cc2O)CCC[C@]1(C)O ZINC001236827168 1131017692 /nfs/dbraw/zinc/01/76/92/1131017692.db2.gz QNBNFGCQYMFBQR-KUHUBIRLSA-N 0 0 299.414 3.528 20 10 CHCDRN CC1(C)CC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237080775 1131047350 /nfs/dbraw/zinc/04/73/50/1131047350.db2.gz FHCZCOYAWMIKTP-UHFFFAOYSA-N 0 0 274.191 3.931 20 10 CHCDRN Oc1ccc(Cl)c(Cl)c1CN1CC(F)(C2CC2)C1 ZINC001237078385 1131048236 /nfs/dbraw/zinc/04/82/36/1131048236.db2.gz RCFBEGCRQHNSQD-UHFFFAOYSA-N 0 0 290.165 3.633 20 10 CHCDRN CC[C@H](C)[N@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237115048 1131052248 /nfs/dbraw/zinc/05/22/48/1131052248.db2.gz DTEDDFPNHGVMJN-VIFPVBQESA-N 0 0 277.286 3.521 20 10 CHCDRN C[N@H+](Cc1c(O)cccc1OC(F)(F)F)C(C)(C)C ZINC001237111463 1131053148 /nfs/dbraw/zinc/05/31/48/1131053148.db2.gz PCNYCHRIDLMPDZ-UHFFFAOYSA-N 0 0 277.286 3.521 20 10 CHCDRN Oc1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001237126660 1131054935 /nfs/dbraw/zinc/05/49/35/1131054935.db2.gz OFIONGKJYCCYAM-MFKMUULPSA-N 0 0 283.774 3.949 20 10 CHCDRN Oc1ccc(F)c(Cl)c1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001237123785 1131055228 /nfs/dbraw/zinc/05/52/28/1131055228.db2.gz 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1131113104 /nfs/dbraw/zinc/11/31/04/1131113104.db2.gz NUYVXAIGHOVVJZ-UHFFFAOYSA-N 0 0 288.416 3.522 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000816615510 1131116150 /nfs/dbraw/zinc/11/61/50/1131116150.db2.gz YDWNRMMMHBANMF-OAHLLOKOSA-N 0 0 295.785 3.949 20 10 CHCDRN C[C@H]1CCCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237617207 1131119043 /nfs/dbraw/zinc/11/90/43/1131119043.db2.gz NBJLDSSNIDNBKM-JTQLQIEISA-N 0 0 271.763 3.807 20 10 CHCDRN C[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001237618102 1131119476 /nfs/dbraw/zinc/11/94/76/1131119476.db2.gz XPDIDYGQRADDRP-SNVBAGLBSA-N 0 0 271.763 3.807 20 10 CHCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1C ZINC000816648788 1131120303 /nfs/dbraw/zinc/12/03/03/1131120303.db2.gz PHJFQKFNVVXCCE-SFYZADRCSA-N 0 0 260.164 3.539 20 10 CHCDRN CCOC(=O)c1cccc(Nc2ccc3c(c2)CCN3)c1 ZINC001159522393 1131125387 /nfs/dbraw/zinc/12/53/87/1131125387.db2.gz JXRHKBFBWSTJIQ-UHFFFAOYSA-N 0 0 282.343 3.575 20 10 CHCDRN 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BZTJJCNEZJWKMI-CHWFTXMASA-N 0 0 285.309 3.860 20 10 CHCDRN C[C@H]([NH2+][C@H]1CC12CC2)c1cccc(C(F)(F)F)c1[O-] ZINC000818356520 1131211937 /nfs/dbraw/zinc/21/19/37/1131211937.db2.gz NWJWMMGMTLKZKP-KWQFWETISA-N 0 0 271.282 3.614 20 10 CHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@H](C)[C@H]1C ZINC000818472952 1131215528 /nfs/dbraw/zinc/21/55/28/1131215528.db2.gz SVLNBSZKDRFLEZ-GXFFZTMASA-N 0 0 288.416 3.636 20 10 CHCDRN CC1(C)CCC[C@@H](CC(=O)Nc2ccc(N)cc2)C1 ZINC000818556283 1131217081 /nfs/dbraw/zinc/21/70/81/1131217081.db2.gz IKBPTJHENXYPEM-LBPRGKRZSA-N 0 0 260.381 3.814 20 10 CHCDRN C[C@@H](CCCc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000818556460 1131217121 /nfs/dbraw/zinc/21/71/21/1131217121.db2.gz SKVBZLOLHMSQTA-AWEZNQCLSA-N 0 0 282.387 3.866 20 10 CHCDRN COc1ccc(-c2cccc3c2ccn3C)c(Cl)n1 ZINC001245874248 1131223423 /nfs/dbraw/zinc/22/34/23/1131223423.db2.gz BZDWDBDLZUBYMQ-UHFFFAOYSA-N 0 0 272.735 3.902 20 10 CHCDRN C[C@@H]1c2ccccc2CC[N@H+]1Cc1c([O-])cccc1F ZINC001137832044 1131420697 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C[N@H+](Cc1cccc(F)c1[O-])C(C)(C)Cc1ccccc1 ZINC001138129431 1131469899 /nfs/dbraw/zinc/46/98/99/1131469899.db2.gz CFRIYTPESYGZHI-UHFFFAOYSA-N 0 0 287.378 3.984 20 10 CHCDRN [O-]c1c(F)cccc1C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001138123741 1131470076 /nfs/dbraw/zinc/47/00/76/1131470076.db2.gz JLMLWKSLEXHKAW-UHFFFAOYSA-N 0 0 285.309 3.543 20 10 CHCDRN c1cc2c(cn1)CN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138219683 1131478918 /nfs/dbraw/zinc/47/89/18/1131478918.db2.gz LQWPHMCDVWQWSQ-UHFFFAOYSA-N 0 0 293.414 3.588 20 10 CHCDRN Cc1c(C[N@H+](C)Cc2cccnc2)c2ccccc2n1C ZINC001138252312 1131482493 /nfs/dbraw/zinc/48/24/93/1131482493.db2.gz BSPPFAVZMYZZRB-UHFFFAOYSA-N 0 0 279.387 3.514 20 10 CHCDRN CCN(C(=O)/C=C(\C)c1cnccn1)c1cc(C)cc(C)c1 ZINC000824821359 1131486086 /nfs/dbraw/zinc/48/60/86/1131486086.db2.gz YRFPOSGAYXXFHK-RVDMUPIBSA-N 0 0 295.386 3.550 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000824942351 1131490538 /nfs/dbraw/zinc/49/05/38/1131490538.db2.gz YUUKGCUGFCHSQE-ZFWWWQNUSA-N 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3.837 20 10 CHCDRN Cc1cc(C(=O)N2CC3(CC3)C2)c(C)n1-c1ccccc1C ZINC000833327098 1131616421 /nfs/dbraw/zinc/61/64/21/1131616421.db2.gz OMXUAEQPUZVABN-UHFFFAOYSA-N 0 0 294.398 3.639 20 10 CHCDRN CCn1cc(N[C@@H]2C[C@H](C)c3c2c(O)ccc3C)cn1 ZINC000035780345 1131617518 /nfs/dbraw/zinc/61/75/18/1131617518.db2.gz HWPGHWBIOMIQHU-WCQYABFASA-N 0 0 271.364 3.577 20 10 CHCDRN C[C@@H]1CCC[N@H+](Cc2c(F)ccc(F)c2[O-])C[C@H]1C ZINC001139685680 1131628712 /nfs/dbraw/zinc/62/87/12/1131628712.db2.gz SRRCPMKWGHHGFH-GHMZBOCLSA-N 0 0 269.335 3.538 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]2C2CC2)cc1 ZINC000833689922 1131637997 /nfs/dbraw/zinc/63/79/97/1131637997.db2.gz DOQRWAWZWGGWCI-GOSISDBHSA-N 0 0 294.398 3.719 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)/C=C/C1CCCCCC1 ZINC000845791255 1131661251 /nfs/dbraw/zinc/66/12/51/1131661251.db2.gz IIIJHIPATWEGQN-OUKQBFOZSA-N 0 0 287.403 3.877 20 10 CHCDRN CC[N@H+](Cc1ccccc1O)Cc1ccc(O)cc1Cl ZINC001140084320 1131662898 /nfs/dbraw/zinc/66/28/98/1131662898.db2.gz 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CHCDRN COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001231853975 1132377910 /nfs/dbraw/zinc/37/79/10/1132377910.db2.gz VOAPIPIECUUKJT-RHSMWYFYSA-N 0 0 288.435 3.526 20 10 CHCDRN Cc1cc(O)c(CN2CCC[C@H]2C(F)(F)F)cc1Cl ZINC001231866630 1132381083 /nfs/dbraw/zinc/38/10/83/1132381083.db2.gz BCPBGGIJJNVGHN-LBPRGKRZSA-N 0 0 293.716 3.881 20 10 CHCDRN C[C@@]1(F)CCC[N@H+](Cc2cccc(Cl)c2[O-])CC1 ZINC001231909832 1132389130 /nfs/dbraw/zinc/38/91/30/1132389130.db2.gz QYGSOKIPHKAPEB-CQSZACIVSA-N 0 0 271.763 3.760 20 10 CHCDRN Cc1nn(C)c(C)c1N[C@H](C)c1ccc(Cl)cc1O ZINC000841752162 1132391456 /nfs/dbraw/zinc/39/14/56/1132391456.db2.gz GFUUXGMJJGWUCD-MRVPVSSYSA-N 0 0 279.771 3.569 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(Cl)cc1[O-] ZINC000841755609 1132392054 /nfs/dbraw/zinc/39/20/54/1132392054.db2.gz KHOGTDDHPJLKAL-DDHJBXDOSA-N 0 0 283.799 3.510 20 10 CHCDRN C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc(Cl)cc1[O-] ZINC000841754618 1132392750 /nfs/dbraw/zinc/39/27/50/1132392750.db2.gz UDKDOMDXEKEIRR-AAEUAGOBSA-N 0 0 283.799 3.655 20 10 CHCDRN COC1(CC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CCC1 ZINC000841753361 1132392888 /nfs/dbraw/zinc/39/28/88/1132392888.db2.gz HGSBVAZASMRWQN-LLVKDONJSA-N 0 0 283.799 3.655 20 10 CHCDRN COC1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841757977 1132393313 /nfs/dbraw/zinc/39/33/13/1132393313.db2.gz QPWKNZMEYJDUBR-PKSQDBQZSA-N 0 0 283.799 3.654 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc(Cl)cc1[O-] ZINC000841761530 1132396550 /nfs/dbraw/zinc/39/65/50/1132396550.db2.gz YJDNOAJRGZGCNH-DVUFPGTOSA-N 0 0 295.810 3.654 20 10 CHCDRN C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC001231914847 1132398636 /nfs/dbraw/zinc/39/86/36/1132398636.db2.gz RYSKAOFOBVIHPD-GFCCVEGCSA-N 0 0 287.790 3.992 20 10 CHCDRN C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC001231911047 1132399360 /nfs/dbraw/zinc/39/93/60/1132399360.db2.gz ZQMPTCGRBROQCL-NWDGAFQWSA-N 0 0 267.800 3.914 20 10 CHCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCCCCCCC1 ZINC001142530968 1132404587 /nfs/dbraw/zinc/40/45/87/1132404587.db2.gz MUUFPWUBDKJTRA-UHFFFAOYSA-N 0 0 269.335 3.827 20 10 CHCDRN CC[C@@H]([NH2+]CCC1(COC)CC1)c1cccc(Cl)c1[O-] ZINC000842890212 1132474455 /nfs/dbraw/zinc/47/44/55/1132474455.db2.gz DAXMEATUIGYYIX-CQSZACIVSA-N 0 0 297.826 3.903 20 10 CHCDRN C[C@H]([NH2+]CC1CCC(F)CC1)c1ccc(F)cc1[O-] ZINC000842927301 1132475805 /nfs/dbraw/zinc/47/58/05/1132475805.db2.gz FFDWVGFKDHCXFS-UNXYVOJBSA-N 0 0 269.335 3.710 20 10 CHCDRN Cc1ccc(/C=C\C(=O)N(C)c2cccc3cc[nH]c32)cn1 ZINC001151023747 1132564475 /nfs/dbraw/zinc/56/44/75/1132564475.db2.gz IQUFRSIRIVHZPY-HJWRWDBZSA-N 0 0 291.354 3.548 20 10 CHCDRN [O-]c1c(C[NH+]2CCC3(CC[C@@H](F)C3)CC2)ccc(F)c1F ZINC001233078375 1132569785 /nfs/dbraw/zinc/56/97/85/1132569785.db2.gz TXTCIBSHLONZOY-GFCCVEGCSA-N 0 0 299.336 3.775 20 10 CHCDRN CCC[N@H+](Cc1ccc(F)c(F)c1[O-])[C@H](C)CC ZINC001233073842 1132570640 /nfs/dbraw/zinc/57/06/40/1132570640.db2.gz FFFJNLDBCNVLEH-SNVBAGLBSA-N 0 0 257.324 3.681 20 10 CHCDRN 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Cc1csc([C@H](C)C[NH2+][C@@H](C)c2ccc(F)cc2[O-])n1 ZINC000186561833 262098676 /nfs/dbraw/zinc/09/86/76/262098676.db2.gz KFJHPMDAKGYFKS-KOLCDFICSA-N 0 0 294.395 3.751 20 10 CHCDRN C[C@H]([NH2+]CC(C)(C)CCO)c1ccc2ccccc2c1O ZINC000185609033 262306594 /nfs/dbraw/zinc/30/65/94/262306594.db2.gz GCPGBXWYXIRDIB-ZDUSSCGKSA-N 0 0 287.403 3.605 20 10 CHCDRN CCN(CC)c1ccc(CNc2cncc(Cl)n2)cc1 ZINC000053573656 264203797 /nfs/dbraw/zinc/20/37/97/264203797.db2.gz GXRYTJVLHNQLDS-UHFFFAOYSA-N 0 0 290.798 3.588 20 10 CHCDRN Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccc(Cl)cn2)c(O)c1 ZINC000285258828 328247602 /nfs/dbraw/zinc/24/76/02/328247602.db2.gz QGGUBHRFITZPRH-GFCCVEGCSA-N 0 0 290.794 3.908 20 10 CHCDRN COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000090339800 327094333 /nfs/dbraw/zinc/09/43/33/327094333.db2.gz ALMSMCNPZWZULZ-NEPJUHHUSA-N 0 0 289.350 3.952 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)CCC1CCCCC1 ZINC000298813020 327132693 /nfs/dbraw/zinc/13/26/93/327132693.db2.gz WYGDDCSSJFEXEM-UHFFFAOYSA-N 0 0 275.392 3.711 20 10 CHCDRN Nc1ccc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cc1 ZINC000238085054 329695417 /nfs/dbraw/zinc/69/54/17/329695417.db2.gz NBZLXPLLMWHDLJ-HKUYNNGSSA-N 0 0 292.382 3.502 20 10 CHCDRN [O-]c1c(F)cccc1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000164937095 331305413 /nfs/dbraw/zinc/30/54/13/331305413.db2.gz QNXAFHHQDDWNOV-MRXNPFEDSA-N 0 0 271.335 3.699 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(C)(C)C(C)C ZINC000471218963 331503870 /nfs/dbraw/zinc/50/38/70/331503870.db2.gz OADHCJAUPUXCCK-UHFFFAOYSA-N 0 0 286.419 3.785 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CCC[C@@H]1C ZINC000471226096 331504081 /nfs/dbraw/zinc/50/40/81/331504081.db2.gz BJQSZDZXQVKGGX-GXTWGEPZSA-N 0 0 284.403 3.539 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@H]1CC[C@H](C)C1 ZINC000471228203 331504250 /nfs/dbraw/zinc/50/42/50/331504250.db2.gz SJPFRUPPEPSVFW-ZFWWWQNUSA-N 0 0 298.430 3.929 20 10 CHCDRN CC(=O)C(=O)CS[C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000289766936 519357765 /nfs/dbraw/zinc/35/77/65/519357765.db2.gz VXUKKKQKEWFCQR-MRVPVSSYSA-N 0 0 291.199 3.946 20 10 CHCDRN CC(C)C(C)(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000275832132 519537806 /nfs/dbraw/zinc/53/78/06/519537806.db2.gz SGLLYTNPMVVITM-UHFFFAOYSA-N 0 0 288.435 3.585 20 10 CHCDRN CC(C)CC1(C(=O)Nc2ccc(N)cc2)CCCC1 ZINC000094897472 519624575 /nfs/dbraw/zinc/62/45/75/519624575.db2.gz HBRXZXCZLZPCQY-UHFFFAOYSA-N 0 0 260.381 3.814 20 10 CHCDRN CC(C)[C@@H](NC(=O)NCc1ccccc1O)c1ccccc1 ZINC000299492098 519797681 /nfs/dbraw/zinc/79/76/81/519797681.db2.gz JSHLFLBELGQUMA-QGZVFWFLSA-N 0 0 298.386 3.589 20 10 CHCDRN CCCCN(C)c1ccc(C(=O)Nc2ccc(N)cc2)cc1 ZINC000236721187 520436856 /nfs/dbraw/zinc/43/68/56/520436856.db2.gz LUISFDWYWNONOH-UHFFFAOYSA-N 0 0 297.402 3.757 20 10 CHCDRN CCC[C@@H](C)C(=O)N(CCC)Cc1ccccc1O ZINC000265057753 520603325 /nfs/dbraw/zinc/60/33/25/520603325.db2.gz LDOLGNKYCFKZKD-CYBMUJFWSA-N 0 0 263.381 3.567 20 10 CHCDRN CCC[C@@](C)(CC)C(=O)N(C)Cc1ccccc1O ZINC000279951978 520905188 /nfs/dbraw/zinc/90/51/88/520905188.db2.gz PBRIONGFPDJDBJ-MRXNPFEDSA-N 0 0 263.381 3.567 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)NC(CC)CC ZINC000066687973 521687958 /nfs/dbraw/zinc/68/79/58/521687958.db2.gz SFAHRASKRLNXND-UHFFFAOYSA-N 0 0 278.396 3.502 20 10 CHCDRN CC[C@H](C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-])OC ZINC000290311672 522197740 /nfs/dbraw/zinc/19/77/40/522197740.db2.gz ZVRCOQCXKMCXHG-MFKMUULPSA-N 0 0 271.788 3.511 20 10 CHCDRN CCc1nc(C)c(C[NH2+][C@@H](CC)c2ccc(F)cc2[O-])o1 ZINC000291890484 522207367 /nfs/dbraw/zinc/20/73/67/522207367.db2.gz KKUKIKNJBBXZJZ-ZDUSSCGKSA-N 0 0 292.354 3.631 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](CC)CO)c1cc(Cl)cc(Cl)c1[O-] ZINC000286939907 522920664 /nfs/dbraw/zinc/92/06/64/522920664.db2.gz LZBJYVFASRZERB-JOYOIKCWSA-N 0 0 292.206 3.511 20 10 CHCDRN COCc1cccc(N[C@H](C)c2cc(F)ccc2O)c1 ZINC000094617146 523080863 /nfs/dbraw/zinc/08/08/63/523080863.db2.gz DMRUYWJRXHSMCQ-LLVKDONJSA-N 0 0 275.323 3.851 20 10 CHCDRN COCc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062747692 523106275 /nfs/dbraw/zinc/10/62/75/523106275.db2.gz KDGDBCZOTITEFF-LBPRGKRZSA-N 0 0 289.350 3.529 20 10 CHCDRN CN(Cc1nc2ccccc2o1)Cc1ccc(N(C)C)cc1 ZINC000263825821 523565591 /nfs/dbraw/zinc/56/55/91/523565591.db2.gz ZXMAFBITKAQDAE-UHFFFAOYSA-N 0 0 295.386 3.526 20 10 CHCDRN CN(Cc1ncc(C(C)(C)C)s1)Cc1ccccc1O ZINC000280043645 523575882 /nfs/dbraw/zinc/57/58/82/523575882.db2.gz ZPXJIEMDHBHLHU-UHFFFAOYSA-N 0 0 290.432 3.778 20 10 CHCDRN Cc1ccc(O)c([C@H](C)Nc2ccc(N(C)C)cc2)c1 ZINC000036335477 525364676 /nfs/dbraw/zinc/36/46/76/525364676.db2.gz MFQMIZLYTFOKBQ-ZDUSSCGKSA-N 0 0 270.376 3.940 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000281109007 525479651 /nfs/dbraw/zinc/47/96/51/525479651.db2.gz LRCVRDUGFOYXHH-NXEZZACHSA-N 0 0 273.298 3.617 20 10 CHCDRN CSC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000292730151 525707393 /nfs/dbraw/zinc/70/73/93/525707393.db2.gz GCXHGTWHIIMBBQ-NSHDSACASA-N 0 0 285.840 3.621 20 10 CHCDRN C[C@@H](O)CCC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000278973356 525757051 /nfs/dbraw/zinc/75/70/51/525757051.db2.gz CGPHPSMKYHZUPZ-BDAKNGLRSA-N 0 0 292.206 3.511 20 10 CHCDRN Cc1cc(C(=O)N(C)CC(C)(C)C)c(C)n1-c1ccccn1 ZINC000263837177 526218928 /nfs/dbraw/zinc/21/89/28/526218928.db2.gz QVXULIYDSDLQFJ-UHFFFAOYSA-N 0 0 299.418 3.607 20 10 CHCDRN Oc1ccccc1CNc1ccc(C2CCC2)cn1 ZINC000293220060 526374814 /nfs/dbraw/zinc/37/48/14/526374814.db2.gz YRAKTOQERDIVDK-UHFFFAOYSA-N 0 0 254.333 3.667 20 10 CHCDRN Clc1cc(Sc2nccs2)nc(C2CC2)n1 ZINC000087908742 526930636 /nfs/dbraw/zinc/93/06/36/526930636.db2.gz VFSCNSPVYUARLE-UHFFFAOYSA-N 0 0 269.782 3.615 20 10 CHCDRN Cc1cc(C)c([C@@H](C)[NH2+]Cc2cccc(C(=O)[O-])c2)c(O)c1 ZINC001611136818 970906696 /nfs/dbraw/zinc/90/66/96/970906696.db2.gz DMYKJJHVQNYIJD-CYBMUJFWSA-N 0 0 299.370 3.558 20 10 CHCDRN Clc1cnc(Sc2ccc3c(c2)OCCO3)s1 ZINC000765001126 1118130630 /nfs/dbraw/zinc/13/06/30/1118130630.db2.gz PQISZVRWRCDVIW-UHFFFAOYSA-N 0 0 285.777 3.719 20 10 CHCDRN Cc1cccc2c1N(C(=O)/C=C\c1cncc(F)c1)CCC2 ZINC000729652062 1125507704 /nfs/dbraw/zinc/50/77/04/1125507704.db2.gz OMGDVUKIKPRYAL-FPLPWBNLSA-N 0 0 296.345 3.522 20 10 CHCDRN C[C@@H]([NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O)c1ccsc1 ZINC001593198943 994177228 /nfs/dbraw/zinc/17/72/28/994177228.db2.gz WBGQLWMBILQEHT-NXEZZACHSA-N 0 0 291.372 3.564 20 10 CHCDRN CC1CCC(C)(C[NH2+]Cc2cc(F)c(F)cc2[O-])CC1 ZINC001181419141 1122052201 /nfs/dbraw/zinc/05/22/01/1122052201.db2.gz UOCUHUOUNVBTTF-UHFFFAOYSA-N 0 0 283.362 3.976 20 10 CHCDRN CCCCCCOC(=O)N[C@@H](C)c1ccccc1O ZINC001194197057 1122757270 /nfs/dbraw/zinc/75/72/70/1122757270.db2.gz RBVGNGCFXZIJST-LBPRGKRZSA-N 0 0 265.353 3.760 20 10 CHCDRN O=C(N[C@@H](C1CCC1)C1CCCC1)C1=CC(=O)CS1 ZINC000844147819 1131535629 /nfs/dbraw/zinc/53/56/29/1131535629.db2.gz XWDMSSVNQNSXIS-CQSZACIVSA-N 0 0 279.405 3.542 20 10 CHCDRN CCN(Cc1ccccc1O)c1ncc(Cl)cc1F ZINC001154890129 1132630907 /nfs/dbraw/zinc/63/09/07/1132630907.db2.gz QDKATRNOYNTABL-UHFFFAOYSA-N 0 0 280.730 3.606 20 10 CHCDRN Cc1ccc(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])nc1 ZINC000841752492 1125584696 /nfs/dbraw/zinc/58/46/96/1125584696.db2.gz AZPKZNIMUKGPEH-LBPRGKRZSA-N 0 0 290.794 3.642 20 10 CHCDRN C[C@H](Nc1cnn(C)c1C1CC1)c1ccc(Cl)cc1O ZINC000841754036 1125591954 /nfs/dbraw/zinc/59/19/54/1125591954.db2.gz YQRYLDYNGVMAOM-VIFPVBQESA-N 0 0 291.782 3.830 20 10 CHCDRN CC(C)[C@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000135648265 1125593997 /nfs/dbraw/zinc/59/39/97/1125593997.db2.gz RRACALCNZXVZEO-NSHDSACASA-N 0 0 298.224 3.633 20 10 CHCDRN CN(c1cc2ccccc2n1C)c1ccc(N)cc1 ZINC001212052379 1125670266 /nfs/dbraw/zinc/67/02/66/1125670266.db2.gz LVCDWMXVULGFNS-UHFFFAOYSA-N 0 0 251.333 3.528 20 10 CHCDRN COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886491744 1125680604 /nfs/dbraw/zinc/68/06/04/1125680604.db2.gz OPANHAUOGGXUJG-RYUDHWBXSA-N 0 0 289.350 3.952 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCc2ccccc21)c1c([O-])cccc1F ZINC000886494936 1125680004 /nfs/dbraw/zinc/68/00/04/1125680004.db2.gz AGOKGFJJKTUSIG-IAQYHMDHSA-N 0 0 271.335 3.869 20 10 CHCDRN CCOc1ccccc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886510054 1125681406 /nfs/dbraw/zinc/68/14/06/1125681406.db2.gz RLDGBRGWXSWCBS-GFCCVEGCSA-N 0 0 289.350 3.781 20 10 CHCDRN C[C@@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886522251 1125683396 /nfs/dbraw/zinc/68/33/96/1125683396.db2.gz FVYNJCFRNZTCJE-RYUDHWBXSA-N 0 0 289.350 3.519 20 10 CHCDRN Cc1csc([C@@H](C)N[C@H](C)c2c(O)cccc2F)n1 ZINC000886522539 1125683784 /nfs/dbraw/zinc/68/37/84/1125683784.db2.gz LXGBWLKJXKAQGM-NXEZZACHSA-N 0 0 280.368 3.708 20 10 CHCDRN COc1ccc(C)cc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886543013 1125686681 /nfs/dbraw/zinc/68/66/81/1125686681.db2.gz JLNWCAJSJKWHKP-GFCCVEGCSA-N 0 0 289.350 3.699 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1)c1c([O-])cccc1F ZINC000886558704 1125689734 /nfs/dbraw/zinc/68/97/34/1125689734.db2.gz QFOTUYYSMUSEEW-SLEUVZQESA-N 0 0 295.398 3.776 20 10 CHCDRN CCc1cnccc1[C@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886561798 1125691545 /nfs/dbraw/zinc/69/15/45/1125691545.db2.gz JKODCZZBYJHLKW-NWDGAFQWSA-N 0 0 288.366 3.901 20 10 CHCDRN Cc1cnc([C@H](C)C[NH2+][C@H](C)c2c([O-])cccc2F)s1 ZINC000886589838 1125694018 /nfs/dbraw/zinc/69/40/18/1125694018.db2.gz HGYNBFCVIIPRSR-MWLCHTKSSA-N 0 0 294.395 3.751 20 10 CHCDRN C[C@H](Nc1ccc(N(C)C)cc1)c1c(O)cccc1F ZINC000886582972 1125694465 /nfs/dbraw/zinc/69/44/65/1125694465.db2.gz TYGUOTJCZBDNKF-NSHDSACASA-N 0 0 274.339 3.770 20 10 CHCDRN C[C@@H]([NH2+]CC1(C(F)(F)F)CC1)c1c([O-])cccc1F ZINC000886609673 1125696932 /nfs/dbraw/zinc/69/69/32/1125696932.db2.gz ZBTPNSZVDOALAA-MRVPVSSYSA-N 0 0 277.261 3.524 20 10 CHCDRN C[C@H]([NH2+]CC[C@]1(C)C[C@@]1(F)Cl)c1c([O-])cccc1F ZINC000886630995 1125699465 /nfs/dbraw/zinc/69/94/65/1125699465.db2.gz ABOBZWFZCRZGIM-FZZIBODNSA-N 0 0 289.753 3.887 20 10 CHCDRN C[C@H]([NH2+]CC[C@@]1(C)C[C@]1(F)Cl)c1c([O-])cccc1F ZINC000886630997 1125701466 /nfs/dbraw/zinc/70/14/66/1125701466.db2.gz ABOBZWFZCRZGIM-QCZZGDTMSA-N 0 0 289.753 3.887 20 10 CHCDRN Cc1ncc([C@@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)s1 ZINC000886645391 1125702942 /nfs/dbraw/zinc/70/29/42/1125702942.db2.gz XYGNABXSFYEDBZ-RKDXNWHRSA-N 0 0 280.368 3.708 20 10 CHCDRN C[C@@H]([NH2+]CC(C)(C)CC(F)F)c1c([O-])cccc1F ZINC000886650021 1125702954 /nfs/dbraw/zinc/70/29/54/1125702954.db2.gz NMRPPZDXBZKKDR-SECBINFHSA-N 0 0 275.314 3.863 20 10 CHCDRN CC[C@H]([NH2+]Cc1cc(C2CC2)no1)c1ccc(F)cc1[O-] ZINC000886684264 1125707668 /nfs/dbraw/zinc/70/76/68/1125707668.db2.gz IORFJZPPXXBYTM-AWEZNQCLSA-N 0 0 290.338 3.638 20 10 CHCDRN Oc1cccc(Nc2cc(Cl)nc(Cl)c2)c1O ZINC001212096516 1125729008 /nfs/dbraw/zinc/72/90/08/1125729008.db2.gz MAEGFXKKMYVISR-UHFFFAOYSA-N 0 0 271.103 3.543 20 10 CHCDRN CCN(CCc1scnc1C)c1ccc(OC)cc1 ZINC000738308332 1129392651 /nfs/dbraw/zinc/39/26/51/1129392651.db2.gz GKPXUEQYNBKQLB-UHFFFAOYSA-N 0 0 276.405 3.529 20 10 CHCDRN CCCN(CCC)c1ccc(CNC(CF)CF)cc1 ZINC001461526914 1129938876 /nfs/dbraw/zinc/93/88/76/1129938876.db2.gz IXEOTZVSYCKAHP-UHFFFAOYSA-N 0 0 284.394 3.710 20 10 CHCDRN COc1ccc(N(C)CCSC(C)(C)C)cc1OC ZINC000801914789 1129958132 /nfs/dbraw/zinc/95/81/32/1129958132.db2.gz FHHRZHMFBCKIKH-UHFFFAOYSA-N 0 0 283.437 3.672 20 10 CHCDRN Cc1nc(COc2ccc(N3CCCC3)cc2)cs1 ZINC000178193188 1126810091 /nfs/dbraw/zinc/81/00/91/1126810091.db2.gz NJJPTOVXSYAQPM-UHFFFAOYSA-N 0 0 274.389 3.631 20 10 CHCDRN CC[C@@H](C)CC[C@H](C)Oc1cc(O)c(O)cc1C(C)=O ZINC001234477029 1130648950 /nfs/dbraw/zinc/64/89/50/1130648950.db2.gz QQUIUYMKYTXPGN-MNOVXSKESA-N 0 0 280.364 3.894 20 10 CHCDRN CC(C)(C)c1cnc(SCCCN2CCCC2=O)s1 ZINC000759720039 1130671317 /nfs/dbraw/zinc/67/13/17/1130671317.db2.gz VGJDKQDQTQMPHQ-UHFFFAOYSA-N 0 0 298.477 3.545 20 10 CHCDRN Cc1ccc(C(=O)N2CC[C@@H](C)c3ccccc32)c(O)c1O ZINC000182124342 1126866697 /nfs/dbraw/zinc/86/66/97/1126866697.db2.gz GNCSYXJFDORBNZ-LLVKDONJSA-N 0 0 297.354 3.560 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184851385 1126896869 /nfs/dbraw/zinc/89/68/69/1126896869.db2.gz DRWGWYYJUXRXTQ-IUCAKERBSA-N 0 0 290.190 3.529 20 10 CHCDRN Oc1cccc(Cl)c1CNc1nnc(C2CCCC2)o1 ZINC000905425286 1126901150 /nfs/dbraw/zinc/90/11/50/1126901150.db2.gz SMJJCSBJTUDMLN-UHFFFAOYSA-N 0 0 293.754 3.698 20 10 CHCDRN COc1ccc(F)cc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000187597006 1126911649 /nfs/dbraw/zinc/91/16/49/1126911649.db2.gz FYNRXXCPMYYWGJ-SNVBAGLBSA-N 0 0 293.313 3.530 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[N@H+]2CC=C(C)CC2)c1 ZINC000781913969 1130747046 /nfs/dbraw/zinc/74/70/46/1130747046.db2.gz UWCOZXJLNARVBI-UHFFFAOYSA-N 0 0 296.208 3.615 20 10 CHCDRN Cn1ccc2ccc(-c3cnn([C@@H]4CCCCO4)c3)cc21 ZINC000906178146 1126934207 /nfs/dbraw/zinc/93/42/07/1126934207.db2.gz DKUFLNSQHMNCEQ-KRWDZBQOSA-N 0 0 281.359 3.741 20 10 CHCDRN CCCCOCCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000191179652 1126948642 /nfs/dbraw/zinc/94/86/42/1126948642.db2.gz XTFFNOLFGSCCGM-LLVKDONJSA-N 0 0 287.350 3.528 20 10 CHCDRN CN(Cc1nc(C(C)(C)C)cs1)Cc1ccccc1O ZINC000267984121 1127009504 /nfs/dbraw/zinc/00/95/04/1127009504.db2.gz HNJULXWHVRXHDR-UHFFFAOYSA-N 0 0 290.432 3.778 20 10 CHCDRN Nc1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1 ZINC000269103765 1127035854 /nfs/dbraw/zinc/03/58/54/1127035854.db2.gz AQIXQVVLGAXVOV-UHFFFAOYSA-N 0 0 295.386 3.511 20 10 CHCDRN C[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1cccc(C(F)(F)F)c1[O-] ZINC000815625509 1131011084 /nfs/dbraw/zinc/01/10/84/1131011084.db2.gz FYFGXWRHHZFKCX-HKPALBBZSA-N 0 0 295.251 3.715 20 10 CHCDRN Nc1ccc(CCNC(=O)c2ccccc2C2CCC2)cc1 ZINC000911783262 1127086935 /nfs/dbraw/zinc/08/69/35/1127086935.db2.gz SOEWPDWCYVKVBK-UHFFFAOYSA-N 0 0 294.398 3.509 20 10 CHCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001237085252 1131047822 /nfs/dbraw/zinc/04/78/22/1131047822.db2.gz WOENXIJGONDMHO-DTWKUNHWSA-N 0 0 272.175 3.683 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H]1CC ZINC000283167403 1127124040 /nfs/dbraw/zinc/12/40/40/1127124040.db2.gz IZNZFQPXXIUNGE-UKRRQHHQSA-N 0 0 290.407 3.502 20 10 CHCDRN C[C@@]1(F)CCCCN(Cc2c(O)ccc(F)c2Cl)C1 ZINC001237122103 1131055004 /nfs/dbraw/zinc/05/50/04/1131055004.db2.gz RZEXZINFCOLMLE-CQSZACIVSA-N 0 0 289.753 3.899 20 10 CHCDRN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC1CC(F)(F)C1 ZINC001237621514 1131118588 /nfs/dbraw/zinc/11/85/88/1131118588.db2.gz BKXOQMXNRMKXDM-UHFFFAOYSA-N 0 0 293.716 3.662 20 10 CHCDRN Oc1cc2ccccc2cc1Nc1ccncc1Cl ZINC001212155235 1127211432 /nfs/dbraw/zinc/21/14/32/1127211432.db2.gz HUYJHXQMEUZZOZ-UHFFFAOYSA-N 0 0 270.719 3.759 20 10 CHCDRN CC(C)(C)c1ccc(O)c(Nc2ccncc2Cl)c1 ZINC001212157544 1127221429 /nfs/dbraw/zinc/22/14/29/1127221429.db2.gz QSQAVEHKQZASKA-UHFFFAOYSA-N 0 0 276.767 3.904 20 10 CHCDRN CC(C)[C@H]1CCC[N@@H+]1Cc1cc(F)c(Cl)cc1[O-] ZINC001237940451 1131153334 /nfs/dbraw/zinc/15/33/34/1131153334.db2.gz LDUYEIIIHQTVEU-CYBMUJFWSA-N 0 0 271.763 3.805 20 10 CHCDRN CCOCCC1(C[NH2+][C@H](CC)c2ccc(F)cc2[O-])CC1 ZINC000286102944 1127258891 /nfs/dbraw/zinc/25/88/91/1127258891.db2.gz MQRUUQLXCAFCHB-OAHLLOKOSA-N 0 0 295.398 3.779 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(F)c(F)c1[O-] ZINC000287065801 1127285459 /nfs/dbraw/zinc/28/54/59/1127285459.db2.gz NUVQMRVHNMOUCU-GZMMTYOYSA-N 0 0 255.308 3.510 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@H]1CCCSC1)c1ccc(F)cc1[O-] ZINC000287065894 1127285953 /nfs/dbraw/zinc/28/59/53/1127285953.db2.gz NVLWJXAUCIYTPN-SMDDNHRTSA-N 0 0 283.412 3.715 20 10 CHCDRN CC[C@@H](N[C@@H](C1CC1)C(F)(F)F)c1ccccc1O ZINC000287427325 1127305021 /nfs/dbraw/zinc/30/50/21/1127305021.db2.gz SQYLXIDMXQMGMX-YPMHNXCESA-N 0 0 273.298 3.774 20 10 CHCDRN CC(C)(C)c1cnc(SCc2cnns2)s1 ZINC000287590432 1127310502 /nfs/dbraw/zinc/31/05/02/1127310502.db2.gz RKOJFTBTUNJNMQ-UHFFFAOYSA-N 0 0 271.436 3.584 20 10 CHCDRN CC[C@@H]([NH2+]CC[C@H](C)O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287592423 1127310547 /nfs/dbraw/zinc/31/05/47/1127310547.db2.gz IDXZTWCHRJXNSG-QPUJVOFHSA-N 0 0 292.206 3.511 20 10 CHCDRN CC[C@H]([NH2+]CCCSC)c1cccc(Cl)c1[O-] ZINC000287616969 1127310936 /nfs/dbraw/zinc/31/09/36/1127310936.db2.gz JPYPGZBBHFGAOQ-LBPRGKRZSA-N 0 0 273.829 3.839 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H]1CCCCO1)c1cccc(Cl)c1[O-] ZINC000287697958 1127313068 /nfs/dbraw/zinc/31/30/68/1127313068.db2.gz NNJJVFPDCWVNRD-BXUZGUMPSA-N 0 0 283.799 3.655 20 10 CHCDRN CC[C@@H]([NH2+]CCCCCCO)c1cccc(Cl)c1[O-] ZINC000287870579 1127314452 /nfs/dbraw/zinc/31/44/52/1127314452.db2.gz XXLIPTQQDOCYHN-CQSZACIVSA-N 0 0 285.815 3.639 20 10 CHCDRN CC[C@H](O)C[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000293682278 1127512903 /nfs/dbraw/zinc/51/29/03/1127512903.db2.gz NHBPTYZECIBVAH-CABZTGNLSA-N 0 0 292.206 3.511 20 10 CHCDRN CN(C)c1ccc(CN(C)C(=O)CC2CCCCC2)cc1 ZINC000060678743 1127562182 /nfs/dbraw/zinc/56/21/82/1127562182.db2.gz ZZXXODVKBTUUTN-UHFFFAOYSA-N 0 0 288.435 3.681 20 10 CHCDRN CCn1cc(NCc2cc(-c3ccccc3)ccc2O)cn1 ZINC000761316570 1127651611 /nfs/dbraw/zinc/65/16/11/1127651611.db2.gz ZETSMADJURXNGN-UHFFFAOYSA-N 0 0 293.370 3.888 20 10 CHCDRN Nc1ccc(CNC(=O)CCCC2CCCCC2)cc1 ZINC000297193485 1127690897 /nfs/dbraw/zinc/69/08/97/1127690897.db2.gz MCAQZPQXPRXXCA-UHFFFAOYSA-N 0 0 274.408 3.636 20 10 CHCDRN Cc1cc(C(=O)N(C)[C@H](C)C(C)C)c(C)n1-c1ccccn1 ZINC000298442931 1127723385 /nfs/dbraw/zinc/72/33/85/1127723385.db2.gz VACWEEKXRBBYHJ-CQSZACIVSA-N 0 0 299.418 3.606 20 10 CHCDRN CCN(C(=O)[C@H](C)Sc1nccs1)c1ccccc1 ZINC000299071624 1127740193 /nfs/dbraw/zinc/74/01/93/1127740193.db2.gz YCVLVGROPXMNJR-NSHDSACASA-N 0 0 292.429 3.677 20 10 CHCDRN COc1ccc(N[C@H](C)c2ccc(F)cc2O)cc1F ZINC000062745791 1127772552 /nfs/dbraw/zinc/77/25/52/1127772552.db2.gz DRPDXCWXUXFCPO-SECBINFHSA-N 0 0 279.286 3.852 20 10 CHCDRN C[C@@H]([NH2+]Cc1ccc(F)cc1F)c1ccc(F)cc1[O-] ZINC000062748430 1127773713 /nfs/dbraw/zinc/77/37/13/1127773713.db2.gz DTAATWVZKHCAOS-SECBINFHSA-N 0 0 281.277 3.660 20 10 CHCDRN C[C@H](Cc1cccs1)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062746783 1127773997 /nfs/dbraw/zinc/77/39/97/1127773997.db2.gz FLSSAROSITXHSS-GHMZBOCLSA-N 0 0 279.380 3.875 20 10 CHCDRN Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])CO2 ZINC000373265914 1127831075 /nfs/dbraw/zinc/83/10/75/1127831075.db2.gz LBGYHTASWYQPKZ-NHYWBVRUSA-N 0 0 287.334 3.624 20 10 CHCDRN CCCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000134902717 1128076517 /nfs/dbraw/zinc/07/65/17/1128076517.db2.gz IWXOIZWYEWEEGI-QMMMGPOBSA-N 0 0 290.176 3.745 20 10 CHCDRN CCN(CC)c1ccc(CNc2ccc(F)cn2)cc1 ZINC000777511649 1128097208 /nfs/dbraw/zinc/09/72/08/1128097208.db2.gz BMLCJRNIQYFZLJ-UHFFFAOYSA-N 0 0 273.355 3.679 20 10 CHCDRN Cc1cc(NCc2ccc(N(C)C)c(F)c2)cnc1Cl ZINC000777519181 1128098957 /nfs/dbraw/zinc/09/89/57/1128098957.db2.gz JWUMNSHWAGVONO-UHFFFAOYSA-N 0 0 293.773 3.861 20 10 CHCDRN CCc1cc(NCc2ccc(N(CC)CC)c(F)c2)no1 ZINC000777520502 1128099687 /nfs/dbraw/zinc/09/96/87/1128099687.db2.gz PEWURLHGUMWENV-UHFFFAOYSA-N 0 0 291.370 3.834 20 10 CHCDRN CCc1cc(NCc2cc(OC)ccc2O)ccc1F ZINC000690174227 1128189043 /nfs/dbraw/zinc/18/90/43/1128189043.db2.gz AHTPKYQIZZLTGB-UHFFFAOYSA-N 0 0 275.323 3.714 20 10 CHCDRN CCCN(CCC)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914845923 1128252846 /nfs/dbraw/zinc/25/28/46/1128252846.db2.gz BDGLKBBZJRBVTJ-UHFFFAOYSA-N 0 0 299.418 3.751 20 10 CHCDRN Clc1ccccc1-c1nnc(Sc2nccs2)o1 ZINC000914862765 1128255514 /nfs/dbraw/zinc/25/55/14/1128255514.db2.gz DTWFCEKNQYMJCG-UHFFFAOYSA-N 0 0 295.776 3.998 20 10 CHCDRN CCN(C(=O)/C=C\c1cccnc1)c1ccccc1Cl ZINC000914516400 1128203337 /nfs/dbraw/zinc/20/33/37/1128203337.db2.gz LTKYUYOQZOSXCY-KTKRTIGZSA-N 0 0 286.762 3.801 20 10 CHCDRN CCN(C(=O)/C=C\c1cccnc1)c1cc(C)cc(C)c1 ZINC000914516409 1128203342 /nfs/dbraw/zinc/20/33/42/1128203342.db2.gz LWBYBRGSZJSHLO-FPLPWBNLSA-N 0 0 280.371 3.765 20 10 CHCDRN CC[C@H]([NH2+]Cc1ncc(C)cc1C)c1ccc(F)cc1[O-] ZINC000926961678 1128206610 /nfs/dbraw/zinc/20/66/10/1128206610.db2.gz WVYYDKSACXPVRQ-HNNXBMFYSA-N 0 0 288.366 3.784 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000927029483 1128209698 /nfs/dbraw/zinc/20/96/98/1128209698.db2.gz PJVLWADXOLOQOL-QKCSRTOESA-N 0 0 283.412 3.856 20 10 CHCDRN C[C@H]1CC2(CCC2)C[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000762140987 1128273215 /nfs/dbraw/zinc/27/32/15/1128273215.db2.gz MGNNGHVEWKETPK-ZDUSSCGKSA-N 0 0 282.387 3.705 20 10 CHCDRN CC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000777822437 1128286190 /nfs/dbraw/zinc/28/61/90/1128286190.db2.gz HCTJSXQRHNBTRU-ZDUSSCGKSA-N 0 0 269.344 3.502 20 10 CHCDRN Cc1cc(C(=O)NC[C@@H]2C[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC000915290786 1128301576 /nfs/dbraw/zinc/30/15/76/1128301576.db2.gz SBLYYCUKGKSNGG-BBRMVZONSA-N 0 0 296.414 3.788 20 10 CHCDRN CCC(=CC(=O)NCc1c(O)ccc2c1CCCC2)CC ZINC000762810523 1128318214 /nfs/dbraw/zinc/31/82/14/1128318214.db2.gz AGMGBCILFMVFTI-UHFFFAOYSA-N 0 0 287.403 3.634 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C=C1CCCC1 ZINC000762803110 1128318795 /nfs/dbraw/zinc/31/87/95/1128318795.db2.gz LDJVCGPZSGRMQG-UHFFFAOYSA-N 0 0 273.376 3.631 20 10 CHCDRN Cc1ccc(NCc2cc(Cl)c3cccnc3c2O)cn1 ZINC001168522055 1128458520 /nfs/dbraw/zinc/45/85/20/1128458520.db2.gz ODAPBUQNHYLRNS-UHFFFAOYSA-N 0 0 299.761 3.909 20 10 CHCDRN Cc1ccc(N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000154258757 1128469559 /nfs/dbraw/zinc/46/95/59/1128469559.db2.gz SWYWQTLZWDWGMB-CYBMUJFWSA-N 0 0 255.365 3.629 20 10 CHCDRN CC1=C(C)C[C@](C)(C(=O)NCc2ccccc2O)CC1 ZINC000934935231 1128474692 /nfs/dbraw/zinc/47/46/92/1128474692.db2.gz GIZWODTXERKZIA-QGZVFWFLSA-N 0 0 273.376 3.535 20 10 CHCDRN CCCCC1(C(=O)N[C@H](C)c2cc(OC)ccc2O)CC1 ZINC000934940115 1128474710 /nfs/dbraw/zinc/47/47/10/1128474710.db2.gz IKHROVRKEZEGFM-GFCCVEGCSA-N 0 0 291.391 3.548 20 10 CHCDRN CC(C)(C)c1nsc(NCc2cc(Cl)ccc2O)n1 ZINC001327283564 1128605693 /nfs/dbraw/zinc/60/56/93/1128605693.db2.gz QWRRPSRMMWMDPO-UHFFFAOYSA-N 0 0 297.811 3.807 20 10 CHCDRN Cc1cccc(OCCSc2nccs2)c1 ZINC000919675841 1128621892 /nfs/dbraw/zinc/62/18/92/1128621892.db2.gz TYPJRYSHVCITAM-UHFFFAOYSA-N 0 0 251.376 3.623 20 10 CHCDRN CC[C@H](C)CCC(=O)NCc1c(C)c2ccccc2n1C ZINC000572669114 1128647151 /nfs/dbraw/zinc/64/71/51/1128647151.db2.gz KEBBMSCVQUSCDR-ZDUSSCGKSA-N 0 0 286.419 3.929 20 10 CHCDRN COc1ccc([C@H]2CCC[N@@H+]2Cc2ccccc2O)cc1 ZINC000155171639 1128661386 /nfs/dbraw/zinc/66/13/86/1128661386.db2.gz QBJVTNAYXWFHGA-QGZVFWFLSA-N 0 0 283.371 3.738 20 10 CHCDRN Cc1cc(C(=O)N2CC=CCC2)c(C)n1-c1ccccc1C ZINC000778994329 1128674386 /nfs/dbraw/zinc/67/43/86/1128674386.db2.gz BMAWDVYDNCGAKL-UHFFFAOYSA-N 0 0 294.398 3.805 20 10 CHCDRN CCC/C(C)=C\C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000920286907 1128676507 /nfs/dbraw/zinc/67/65/07/1128676507.db2.gz XAZWMFSXMBXZRW-SQFISAMPSA-N 0 0 286.419 3.649 20 10 CHCDRN C[C@@H]1CCCC[C@@H]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000920431400 1128683615 /nfs/dbraw/zinc/68/36/15/1128683615.db2.gz YCUMVGZBWBGMEX-GDBMZVCRSA-N 0 0 288.435 3.585 20 10 CHCDRN CCOC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000779072190 1128719684 /nfs/dbraw/zinc/71/96/84/1128719684.db2.gz KHQPUOCSAHPRQM-IUCAKERBSA-N 0 0 292.206 3.775 20 10 CHCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)C1CCCCC1 ZINC000175414933 1128729117 /nfs/dbraw/zinc/72/91/17/1128729117.db2.gz YVEOKMQLFKEDFP-CYBMUJFWSA-N 0 0 290.407 3.502 20 10 CHCDRN Cc1ccc(F)cc1NC(=O)[C@@H](C)Sc1nccs1 ZINC000048875695 1128733666 /nfs/dbraw/zinc/73/36/66/1128733666.db2.gz FEMLTINUERUJBL-SECBINFHSA-N 0 0 296.392 3.710 20 10 CHCDRN CCN1C(=O)/C(=C/c2ccc(C)cc2C)SC1=S ZINC000211354403 1117803270 /nfs/dbraw/zinc/80/32/70/1117803270.db2.gz JAVNSXVWEJMKHQ-WQLSENKSSA-N 0 0 277.414 3.525 20 10 CHCDRN Cc1ccc([C@H](C)Nc2ccc(N(C)C)cc2)c(O)c1 ZINC000036335101 1117914091 /nfs/dbraw/zinc/91/40/91/1117914091.db2.gz MSFRVDVXQSKTQN-ZDUSSCGKSA-N 0 0 270.376 3.940 20 10 CHCDRN C[C@H](Nc1ccc(N(C)C)cc1)c1ccccc1O ZINC000036335463 1117914317 /nfs/dbraw/zinc/91/43/17/1117914317.db2.gz WBMVDOSTLCNUPV-LBPRGKRZSA-N 0 0 256.349 3.631 20 10 CHCDRN CCc1cnc(NCc2cc(C)c(C)cc2O)s1 ZINC000185964186 1117955649 /nfs/dbraw/zinc/95/56/49/1117955649.db2.gz YLTJCNRIGJCULH-UHFFFAOYSA-N 0 0 262.378 3.640 20 10 CHCDRN Cc1cc([N+](=O)[O-])ccc1NCc1ccc(N(C)C)cc1 ZINC000037061694 1117962018 /nfs/dbraw/zinc/96/20/18/1117962018.db2.gz MARWRBXKHRGHBF-UHFFFAOYSA-N 0 0 285.347 3.581 20 10 CHCDRN CCN(C(=O)/C=C\c1cncc(C)c1)c1cccc(F)c1 ZINC000255013805 1117977576 /nfs/dbraw/zinc/97/75/76/1117977576.db2.gz HXIQGKZZOPQISJ-FPLPWBNLSA-N 0 0 284.334 3.595 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000471235171 1118008436 /nfs/dbraw/zinc/00/84/36/1118008436.db2.gz RCARIXYHDLTAPE-BEFAXECRSA-N 0 0 298.430 3.785 20 10 CHCDRN C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000042411683 1118032354 /nfs/dbraw/zinc/03/23/54/1118032354.db2.gz STCYPBVQMIHHNW-GWCFXTLKSA-N 0 0 298.224 3.823 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](C)C1CC1 ZINC000068014657 1128751166 /nfs/dbraw/zinc/75/11/66/1128751166.db2.gz NJVNDHMKFONLHG-AWEZNQCLSA-N 0 0 288.435 3.537 20 10 CHCDRN CC[C@H]([NH2+]CCc1cccs1)c1ccccc1O ZINC000019949198 1118034371 /nfs/dbraw/zinc/03/43/71/1118034371.db2.gz NZRYMEWNMPCMAC-AWEZNQCLSA-N 0 0 261.390 3.737 20 10 CHCDRN CSC1(C[NH2+]Cc2cccc(F)c2[O-])CCCCC1 ZINC000235286669 1118082374 /nfs/dbraw/zinc/08/23/74/1118082374.db2.gz GAHNZJGSWQRZQJ-UHFFFAOYSA-N 0 0 283.412 3.687 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)CC(C)C)cc1 ZINC000765000324 1118129688 /nfs/dbraw/zinc/12/96/88/1118129688.db2.gz KFJPPFLEGWJJAT-HNNXBMFYSA-N 0 0 290.451 3.831 20 10 CHCDRN COc1ccc(N(C)Cc2ccc3cc[nH]c3c2)cc1OC ZINC001167261699 1118130558 /nfs/dbraw/zinc/13/05/58/1118130558.db2.gz HDWSIYMJHWRFDH-UHFFFAOYSA-N 0 0 296.370 3.822 20 10 CHCDRN CC[C@@H](C)CCCCC(=O)NCc1cc(C)ccc1O ZINC001167293613 1118184647 /nfs/dbraw/zinc/18/46/47/1118184647.db2.gz LIOIXIWQCSEVBM-CYBMUJFWSA-N 0 0 277.408 3.923 20 10 CHCDRN Cc1ccc(O)c([C@@H](C)Nc2cccc3c2CCO3)c1 ZINC000690209201 1118197547 /nfs/dbraw/zinc/19/75/47/1118197547.db2.gz FRTYETIDODXRHW-GFCCVEGCSA-N 0 0 269.344 3.809 20 10 CHCDRN C[C@H]([NH2+]C[C@@](C)(O)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000188667830 1128764400 /nfs/dbraw/zinc/76/44/00/1128764400.db2.gz XZKRVNIBKCFOLZ-YVEFUNNKSA-N 0 0 295.398 3.513 20 10 CHCDRN Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1C ZINC000074333734 1118280929 /nfs/dbraw/zinc/28/09/29/1118280929.db2.gz VJOZRXRIHNIIIM-UHFFFAOYSA-N 0 0 296.414 3.752 20 10 CHCDRN Cc1ccc(O)c(CNc2cccc(-c3ncco3)c2)c1 ZINC000160357785 1118370958 /nfs/dbraw/zinc/37/09/58/1118370958.db2.gz MCAZHOVGDNQDHO-UHFFFAOYSA-N 0 0 280.327 3.968 20 10 CHCDRN CC(=O)c1cc(F)cc(CN(C)c2ccccc2F)c1O ZINC000050005683 1118395578 /nfs/dbraw/zinc/39/55/78/1118395578.db2.gz GMEXPKONECPHCU-UHFFFAOYSA-N 0 0 291.297 3.509 20 10 CHCDRN Cc1cccc(N(C)C(=O)/C=C\c2cncc(F)c2)c1C ZINC000255359658 1118417686 /nfs/dbraw/zinc/41/76/86/1118417686.db2.gz FJBALGRNXORCGK-FPLPWBNLSA-N 0 0 284.334 3.514 20 10 CHCDRN C[C@H]([NH2+]CC(C1CC1)C1CC1)c1ccc(F)cc1[O-] ZINC000088455957 1118521191 /nfs/dbraw/zinc/52/11/91/1118521191.db2.gz AXIVTSUMNWBXPG-JTQLQIEISA-N 0 0 263.356 3.618 20 10 CHCDRN CC[C@@H](N[C@@H](CC)c1ccc(F)cc1O)C(F)F ZINC000834826608 1118575160 /nfs/dbraw/zinc/57/51/60/1118575160.db2.gz FQZMZYQYDJXPMG-WDEREUQCSA-N 0 0 261.287 3.616 20 10 CHCDRN C[C@H](NC(=O)/C=C/C1CCCC1)c1ccc(N(C)C)cc1 ZINC000843581727 1118742492 /nfs/dbraw/zinc/74/24/92/1118742492.db2.gz VAKZOZYHOURYTD-CZAWJFPGSA-N 0 0 286.419 3.676 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)C1CC1 ZINC000801547963 1128800875 /nfs/dbraw/zinc/80/08/75/1128800875.db2.gz HOTUYZHMPXJEJJ-ZDUSSCGKSA-N 0 0 275.392 3.567 20 10 CHCDRN CCN(Cc1cccc(COC)c1)c1ccc(OC)cc1 ZINC000749523708 1118815137 /nfs/dbraw/zinc/81/51/37/1118815137.db2.gz ZJVLZRLOXBRBMH-UHFFFAOYSA-N 0 0 285.387 3.868 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCCC1(C)C ZINC000156649153 1118935990 /nfs/dbraw/zinc/93/59/90/1118935990.db2.gz LDUVPZKCORKECC-OAHLLOKOSA-N 0 0 290.407 3.502 20 10 CHCDRN CC[C@@H](Nc1cnn(CC(C)C)c1)c1ccccc1O ZINC000157474327 1118981201 /nfs/dbraw/zinc/98/12/01/1118981201.db2.gz ZVMZBGHIHCXKFW-OAHLLOKOSA-N 0 0 273.380 3.808 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC1(C)C ZINC000801551502 1128813908 /nfs/dbraw/zinc/81/39/08/1128813908.db2.gz MIUGCCPDTAGEPP-AWEZNQCLSA-N 0 0 275.392 3.567 20 10 CHCDRN Cc1ccc(NCc2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 ZINC000037059680 1119010761 /nfs/dbraw/zinc/01/07/61/1119010761.db2.gz XCRLFELODDLQRU-UHFFFAOYSA-N 0 0 285.347 3.581 20 10 CHCDRN c1csc(Sc2nc3ccccc3s2)n1 ZINC000078425674 1119223471 /nfs/dbraw/zinc/22/34/71/1119223471.db2.gz CFGFEEWIMUZAPY-UHFFFAOYSA-N 0 0 250.373 3.904 20 10 CHCDRN COc1cccc(CNc2ccccc2OCC2CC2)c1O ZINC000077466358 1119385252 /nfs/dbraw/zinc/38/52/52/1119385252.db2.gz OLNLDMTVHYZWJM-UHFFFAOYSA-N 0 0 299.370 3.802 20 10 CHCDRN C[C@H]1CCCC[C@@H]1OCCSc1nccs1 ZINC000133252303 1119466184 /nfs/dbraw/zinc/46/61/84/1119466184.db2.gz KBJVCXMPRNWDNG-QWRGUYRKSA-N 0 0 257.424 3.831 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccccc1C ZINC000052851246 1119482648 /nfs/dbraw/zinc/48/26/48/1119482648.db2.gz RRLIIMONFUHGSD-UHFFFAOYSA-N 0 0 296.414 3.723 20 10 CHCDRN C[C@@H](NC(=O)C(C)(C)C1CCC1)c1ccc(N(C)C)cc1 ZINC000828861350 1119536376 /nfs/dbraw/zinc/53/63/76/1119536376.db2.gz OISFIYPYVWYABL-CYBMUJFWSA-N 0 0 288.435 3.756 20 10 CHCDRN CC[C@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)c1ccc(F)cc1[O-] ZINC000796850385 1119643851 /nfs/dbraw/zinc/64/38/51/1119643851.db2.gz ZEEDKAZGIUZYBD-GOEBONIOSA-N 0 0 297.414 3.615 20 10 CHCDRN CC[C@H]([NH2+]CCc1ccccc1)c1ccc(F)cc1[O-] ZINC000796665368 1119737081 /nfs/dbraw/zinc/73/70/81/1119737081.db2.gz HERUIVBSCBKHTI-INIZCTEOSA-N 0 0 273.351 3.815 20 10 CHCDRN C[C@@H]([NH2+]C1CCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000309399725 1119984364 /nfs/dbraw/zinc/98/43/64/1119984364.db2.gz HDZRFYNMTMBKMF-SSDOTTSWSA-N 0 0 260.164 3.902 20 10 CHCDRN O=[N+]([O-])c1ccccc1COc1ccc(N2CCCC2)cc1 ZINC000178193065 1119950006 /nfs/dbraw/zinc/95/00/06/1119950006.db2.gz NTVFHKLMBMGNLC-UHFFFAOYSA-N 0 0 298.342 3.774 20 10 CHCDRN C[C@H]([NH2+][C@H]1C=CCC1)c1ccc(Br)cc1O ZINC000850508950 1119961858 /nfs/dbraw/zinc/96/18/58/1119961858.db2.gz MJNPINLKRADJSD-ONGXEEELSA-N 0 0 282.181 3.524 20 10 CHCDRN CC(C)CCn1ccc(N[C@@H](C)c2cc(F)ccc2O)n1 ZINC000186351866 1120031804 /nfs/dbraw/zinc/03/18/04/1120031804.db2.gz ZAZWRIBTWOEOSR-LBPRGKRZSA-N 0 0 291.370 3.947 20 10 CHCDRN Oc1ccccc1C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708868062 1120040649 /nfs/dbraw/zinc/04/06/49/1120040649.db2.gz HNLMMZQAKBTRIK-OAHLLOKOSA-N 0 0 259.393 3.794 20 10 CHCDRN CN(C)c1ccc(CNc2ccc(C(F)(F)F)nc2)cc1 ZINC000179123524 1120091461 /nfs/dbraw/zinc/09/14/61/1120091461.db2.gz WEUPFQQTQPBGLJ-UHFFFAOYSA-N 0 0 295.308 3.779 20 10 CHCDRN Oc1cc(Cl)c(Cl)cc1CN1CC(F)(C2CC2)C1 ZINC001236793425 1128892291 /nfs/dbraw/zinc/89/22/91/1128892291.db2.gz KPPXJSMAEDXOOQ-UHFFFAOYSA-N 0 0 290.165 3.633 20 10 CHCDRN CCc1ccc(NCc2cc3c(cc2O)OCO3)cc1C ZINC000314031233 1120164598 /nfs/dbraw/zinc/16/45/98/1120164598.db2.gz QUKCGUSASPGMBX-UHFFFAOYSA-N 0 0 285.343 3.604 20 10 CHCDRN CCN(CC)c1ccc(CNc2ccn(C(C)C)n2)cc1 ZINC000314046562 1120184168 /nfs/dbraw/zinc/18/41/68/1120184168.db2.gz SSPHIUWAZFRPGK-UHFFFAOYSA-N 0 0 286.423 3.922 20 10 CHCDRN CCC[N@H+](Cc1ccc(C#N)cc1)Cc1cc(F)ccc1O ZINC000179937114 1120257995 /nfs/dbraw/zinc/25/79/95/1120257995.db2.gz PYHPICMPMONJGP-UHFFFAOYSA-N 0 0 298.361 3.815 20 10 CHCDRN C[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000230410041 1120300235 /nfs/dbraw/zinc/30/02/35/1120300235.db2.gz SFDXONDOMLJIHL-GHMZBOCLSA-N 0 0 298.224 3.681 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C1CCC2(CC2)CC1 ZINC000695696710 1120387624 /nfs/dbraw/zinc/38/76/24/1120387624.db2.gz HESVBWOLSUTUDQ-UHFFFAOYSA-N 0 0 265.784 3.858 20 10 CHCDRN C[C@@H]1CC[C@H](CSc2ncc(-c3ccccc3)n2C)O1 ZINC000189991857 1120493019 /nfs/dbraw/zinc/49/30/19/1120493019.db2.gz CLDGUSCUYGOXHO-TZMCWYRMSA-N 0 0 288.416 3.747 20 10 CHCDRN Oc1cccc(Cl)c1CNc1cccc(-n2ccnc2)c1 ZINC000120502614 1120545578 /nfs/dbraw/zinc/54/55/78/1120545578.db2.gz AAAVTLGCEJFFSC-UHFFFAOYSA-N 0 0 299.761 3.843 20 10 CHCDRN Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000922668090 1120575960 /nfs/dbraw/zinc/57/59/60/1120575960.db2.gz YTIHMEBFWPHVFJ-SNVBAGLBSA-N 0 0 295.304 3.969 20 10 CHCDRN CCCCN(CC)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000073744086 1120591335 /nfs/dbraw/zinc/59/13/35/1120591335.db2.gz QSUSHJZOBITDGA-UHFFFAOYSA-N 0 0 299.418 3.751 20 10 CHCDRN CCCCC(=O)N(CCCC)Cc1ccccc1O ZINC000282447284 1120676810 /nfs/dbraw/zinc/67/68/10/1120676810.db2.gz IMVBZJADTPHPMY-UHFFFAOYSA-N 0 0 263.381 3.711 20 10 CHCDRN Oc1ccc(Cl)cc1CNc1ccc2c(c1)COC2 ZINC000125442337 1120756701 /nfs/dbraw/zinc/75/67/01/1120756701.db2.gz JRZOBOWVSHIGAH-UHFFFAOYSA-N 0 0 275.735 3.688 20 10 CHCDRN Cc1ccncc1CN(C)c1ccc(OC(C)C)cc1 ZINC000759935020 1120908015 /nfs/dbraw/zinc/90/80/15/1120908015.db2.gz ZONNVFRWNDPZID-UHFFFAOYSA-N 0 0 270.376 3.814 20 10 CHCDRN C[C@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1O)N(C)C1CC1 ZINC000185368872 1120910483 /nfs/dbraw/zinc/91/04/83/1120910483.db2.gz BVLZCAOZTDLOGE-KGLIPLIRSA-N 0 0 298.430 3.679 20 10 CHCDRN Oc1ccc(Cl)cc1CNc1cnn(C2CCCC2)c1 ZINC000722377452 1121009844 /nfs/dbraw/zinc/00/98/44/1121009844.db2.gz SVZBRSVNECQOGH-UHFFFAOYSA-N 0 0 291.782 3.969 20 10 CHCDRN CCC(F)(F)CNCc1ccc(N2CCCCC2)cc1 ZINC000700112130 1121080065 /nfs/dbraw/zinc/08/00/65/1121080065.db2.gz VKCOUIODENISBR-UHFFFAOYSA-N 0 0 282.378 3.812 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)C1CCCC1)c1ccc(F)cc1[O-] ZINC000070305390 1128966278 /nfs/dbraw/zinc/96/62/78/1128966278.db2.gz FLBZLSWRYGZHPS-WDEREUQCSA-N 0 0 251.345 3.761 20 10 CHCDRN Cc1cc(Nc2cccc(O)c2O)ccc1OC(C)C ZINC001175192745 1121203499 /nfs/dbraw/zinc/20/34/99/1121203499.db2.gz UCUSZVGTIGVISO-UHFFFAOYSA-N 0 0 273.332 3.937 20 10 CHCDRN CN(c1ccc(N)cc1)c1cccc(O[C@H]2CCCCO2)c1 ZINC001175191360 1121203735 /nfs/dbraw/zinc/20/37/35/1121203735.db2.gz WIUGQKMKUMDLPV-SFHVURJKSA-N 0 0 298.386 3.942 20 10 CHCDRN COc1ccc(N(C)C[Si](C)(C)C)cc1Cl ZINC001167881030 1121222491 /nfs/dbraw/zinc/22/24/91/1121222491.db2.gz HSHAPNICMFUKEU-UHFFFAOYSA-N 0 0 257.837 3.662 20 10 CHCDRN Cc1ccc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])c(C)c1 ZINC001648946112 1121238116 /nfs/dbraw/zinc/23/81/16/1121238116.db2.gz KYKFOYXJMDYRIZ-UHFFFAOYSA-N 0 0 291.341 3.620 20 10 CHCDRN Cc1scc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c1C ZINC000703216809 1121239404 /nfs/dbraw/zinc/23/94/04/1121239404.db2.gz ZPPPXNRMGNQXAQ-UHFFFAOYSA-N 0 0 283.343 3.639 20 10 CHCDRN CCc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1C ZINC000779546962 1128977080 /nfs/dbraw/zinc/97/70/80/1128977080.db2.gz GRABJZUPMJNVMP-UITAMQMPSA-N 0 0 297.354 3.621 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2ccc3c[nH]nc3c2)cc1 ZINC000763541892 1128982599 /nfs/dbraw/zinc/98/25/99/1128982599.db2.gz UXAFMVRKHPJWRD-UHFFFAOYSA-N 0 0 295.386 3.987 20 10 CHCDRN CC[N@H+](Cc1cc(Cl)cc(OC)c1O)[C@@H](C)C(C)C ZINC000706652502 1121434449 /nfs/dbraw/zinc/43/44/49/1121434449.db2.gz KLMOHIFDHSPQRZ-NSHDSACASA-N 0 0 285.815 3.921 20 10 CHCDRN CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])C1CCC1 ZINC000706723882 1121437779 /nfs/dbraw/zinc/43/77/79/1121437779.db2.gz ROLCJLPQYKCGNB-UHFFFAOYSA-N 0 0 281.783 3.623 20 10 CHCDRN Cc1nc(CNc2ccccc2OCC(C)C)[nH]c1C ZINC000709012436 1121467360 /nfs/dbraw/zinc/46/73/60/1121467360.db2.gz AKZPTIAEXNUKPY-UHFFFAOYSA-N 0 0 273.380 3.673 20 10 CHCDRN CCN(C(=O)/C=C/c1cccnc1)c1ccc(C)cc1C ZINC000075445650 1121575444 /nfs/dbraw/zinc/57/54/44/1121575444.db2.gz XMWWCEAFDZGCLA-CSKARUKUSA-N 0 0 280.371 3.765 20 10 CHCDRN Oc1cccc(Nc2cccc(OCC3CC3)c2)c1O ZINC001176492069 1121638706 /nfs/dbraw/zinc/63/87/06/1121638706.db2.gz SMPDUDALPQWPAL-UHFFFAOYSA-N 0 0 271.316 3.630 20 10 CHCDRN CC(C)(F)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000698310790 1121670080 /nfs/dbraw/zinc/67/00/80/1121670080.db2.gz SVBVUKVINNMMTR-UHFFFAOYSA-N 0 0 280.170 3.927 20 10 CHCDRN CCN(C)c1ccc(CN2CCC[C@H]2c2cc(C)on2)cc1 ZINC000773733232 1121773975 /nfs/dbraw/zinc/77/39/75/1121773975.db2.gz IGCTWNNWPUOQRL-SFHVURJKSA-N 0 0 299.418 3.776 20 10 CHCDRN CCC/C(C)=C\C(=O)NCc1c(O)ccc2ccccc21 ZINC001179029436 1121845276 /nfs/dbraw/zinc/84/52/76/1121845276.db2.gz NSFJLCYUSPYJRR-QBFSEMIESA-N 0 0 283.371 3.908 20 10 CHCDRN CCC/C=C/C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731346745 1121863309 /nfs/dbraw/zinc/86/33/09/1121863309.db2.gz SVPIXDAZYFFTSR-CMDGGOBGSA-N 0 0 292.398 3.644 20 10 CHCDRN CC/C=C(/C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731346887 1121863706 /nfs/dbraw/zinc/86/37/06/1121863706.db2.gz ACLZLVMCADYYGE-JYRVWZFOSA-N 0 0 292.398 3.644 20 10 CHCDRN CCCN(Cc1ccccc1)C(=O)C1=CC(=O)CS1 ZINC000731867736 1121890637 /nfs/dbraw/zinc/89/06/37/1121890637.db2.gz RVMYOEYBMSYBEW-UHFFFAOYSA-N 0 0 275.373 3.506 20 10 CHCDRN Cc1cc(C)c(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1C ZINC001179687610 1121898951 /nfs/dbraw/zinc/89/89/51/1121898951.db2.gz PEWXZOZPFLQZCH-FNORWQNLSA-N 0 0 297.354 3.675 20 10 CHCDRN CC[C@H](C)Oc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000732277747 1121914452 /nfs/dbraw/zinc/91/44/52/1121914452.db2.gz OFEOZTXAZGTDHC-JTQLQIEISA-N 0 0 291.372 3.883 20 10 CHCDRN Cc1ccc([C@H](C)N(C)C(=O)C2=CC(=O)CS2)cc1 ZINC000732269764 1121915764 /nfs/dbraw/zinc/91/57/64/1121915764.db2.gz SIVKGLSFFKEQJD-NSHDSACASA-N 0 0 275.373 3.595 20 10 CHCDRN CCC[C@H]1CCCC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000732286368 1121915949 /nfs/dbraw/zinc/91/59/49/1121915949.db2.gz SDRCHYRDAVNBEQ-JQWIXIFHSA-N 0 0 267.394 3.542 20 10 CHCDRN C[C@H](c1cccc(Cl)c1)N(C)C(=O)C1=CC(=O)CS1 ZINC000732269834 1121916064 /nfs/dbraw/zinc/91/60/64/1121916064.db2.gz VOKBXDOOMHELRA-SECBINFHSA-N 0 0 295.791 3.940 20 10 CHCDRN CC(C)CC(CC(C)C)NC(=O)C1=CC(=O)CS1 ZINC000732286466 1121916729 /nfs/dbraw/zinc/91/67/29/1121916729.db2.gz FLIAWHDLXCAITQ-UHFFFAOYSA-N 0 0 269.410 3.644 20 10 CHCDRN CCN(Cc1ccoc1)Cc1c(O)cc(C)cc1Cl ZINC001179868961 1121921742 /nfs/dbraw/zinc/92/17/42/1121921742.db2.gz MAIMYKUQHJSGLA-UHFFFAOYSA-N 0 0 279.767 3.969 20 10 CHCDRN CC[N@H+](Cc1ccc(Cl)cc1[O-])[C@@H](C)C(C)C ZINC001180043673 1121942224 /nfs/dbraw/zinc/94/22/24/1121942224.db2.gz WODWLKMJSVUZQZ-NSHDSACASA-N 0 0 255.789 3.912 20 10 CHCDRN CC[C@@H](C)C[C@H](C)NC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180129697 1121949429 /nfs/dbraw/zinc/94/94/29/1121949429.db2.gz COBZGOHGKSPHJU-NZETUCKYSA-N 0 0 288.435 3.707 20 10 CHCDRN CCOc1ccc(CN(C)c2ccc3c(c2)OCO3)c(C)c1 ZINC001180750128 1122011418 /nfs/dbraw/zinc/01/14/18/1122011418.db2.gz ATNAAWYXFVWKDT-UHFFFAOYSA-N 0 0 299.370 3.759 20 10 CHCDRN CC(C)(C)[C@H]1CCC[N@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001181205109 1122042478 /nfs/dbraw/zinc/04/24/78/1122042478.db2.gz IXEBGIAHOUTKQM-LBPRGKRZSA-N 0 0 283.362 3.929 20 10 CHCDRN Cc1nc(Cl)ccc1NCc1cc(F)c(F)cc1O ZINC001181324643 1122049076 /nfs/dbraw/zinc/04/90/76/1122049076.db2.gz TTWQIFDPHKDXAI-UHFFFAOYSA-N 0 0 284.693 3.639 20 10 CHCDRN [O-]c1c(F)cccc1C[NH2+]CCCc1cccc(Cl)c1 ZINC001181348956 1122052766 /nfs/dbraw/zinc/05/27/66/1122052766.db2.gz JDXKXGQJRUCKJX-UHFFFAOYSA-N 0 0 293.769 3.907 20 10 CHCDRN C[C@@H]1CC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001181399440 1122053577 /nfs/dbraw/zinc/05/35/77/1122053577.db2.gz IPYVNCWOWUEHSM-ZJUUUORDSA-N 0 0 271.763 3.711 20 10 CHCDRN COc1cccc(NCc2cccc(Cl)c2O)c1F ZINC000689968007 1122107814 /nfs/dbraw/zinc/10/78/14/1122107814.db2.gz YTQBGNDOBKNDPW-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN COc1cc(C)c(CNc2ccc(C3CCC3)cn2)c(O)c1 ZINC001182115656 1122110675 /nfs/dbraw/zinc/11/06/75/1122110675.db2.gz OQSGWCXLWHSVIZ-UHFFFAOYSA-N 0 0 298.386 3.984 20 10 CHCDRN Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)cc1Cl ZINC001182509464 1122172526 /nfs/dbraw/zinc/17/25/26/1122172526.db2.gz UFQVSXKRRKJGJI-JSGCOSHPSA-N 0 0 279.811 3.880 20 10 CHCDRN CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000271786853 1122174993 /nfs/dbraw/zinc/17/49/93/1122174993.db2.gz FWMQCCHQOIMKPX-OCCSQVGLSA-N 0 0 297.826 3.729 20 10 CHCDRN Oc1cccc2c1CN(Cc1ccsc1Cl)C2 ZINC001183455477 1122224416 /nfs/dbraw/zinc/22/44/16/1122224416.db2.gz UFAJJFWUHAOTNS-UHFFFAOYSA-N 0 0 265.765 3.623 20 10 CHCDRN [O-]c1cc(Cl)ccc1C[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC001183842784 1122241135 /nfs/dbraw/zinc/24/11/35/1122241135.db2.gz FRZYZZGITIIAQR-MJVIPROJSA-N 0 0 265.784 3.571 20 10 CHCDRN CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC001184265015 1122266201 /nfs/dbraw/zinc/26/62/01/1122266201.db2.gz NWFSFIIGWAQVCJ-TZMCWYRMSA-N 0 0 267.800 3.960 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(N[C@H]2CCSC2=O)cc1 ZINC001167955541 1122372927 /nfs/dbraw/zinc/37/29/27/1122372927.db2.gz NYXHEAFFIIZIJV-HNNXBMFYSA-N 0 0 286.400 3.538 20 10 CHCDRN C[C@H](Nc1cnn(C(C)(C)C)c1)c1ccc(N(C)C)cc1 ZINC000183394578 1129051078 /nfs/dbraw/zinc/05/10/78/1129051078.db2.gz KJVQXNIYJWOVJU-ZDUSSCGKSA-N 0 0 286.423 3.877 20 10 CHCDRN FC(F)Oc1ccc2c(c1)CCCN2C[C@@H]1CCC=CO1 ZINC000775063682 1122415368 /nfs/dbraw/zinc/41/53/68/1122415368.db2.gz YNFXAMXZWAQGSJ-AWEZNQCLSA-N 0 0 295.329 3.733 20 10 CHCDRN FC(F)c1cc(Sc2ncc(Cl)s2)ncn1 ZINC001187174996 1122424012 /nfs/dbraw/zinc/42/40/12/1122424012.db2.gz ZVBSGNNGHDQWNC-UHFFFAOYSA-N 0 0 279.724 3.675 20 10 CHCDRN Cc1cc(CNc2nc(C)ns2)c(C)n1-c1ccccc1 ZINC001187282493 1122424794 /nfs/dbraw/zinc/42/47/94/1122424794.db2.gz YNSSISRVCCMHCU-UHFFFAOYSA-N 0 0 298.415 3.866 20 10 CHCDRN Oc1ccc(Cl)c(F)c1CNc1nc2ccccc2[nH]1 ZINC000775157564 1122449840 /nfs/dbraw/zinc/44/98/40/1122449840.db2.gz FMEPTKNUNSLBRS-UHFFFAOYSA-N 0 0 291.713 3.673 20 10 CHCDRN COc1ccc(O)c(CNc2cc(C)c(OC)cc2C)c1 ZINC000775182074 1122469341 /nfs/dbraw/zinc/46/93/41/1122469341.db2.gz AZNCQYKIJBQITD-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN CC[C@H]([NH2+]CCc1ccccc1O)c1ccc(F)cc1[O-] ZINC000285958247 1122528750 /nfs/dbraw/zinc/52/87/50/1122528750.db2.gz GMKZMNZIWXLXON-HNNXBMFYSA-N 0 0 289.350 3.520 20 10 CHCDRN C[C@@H](NCc1ccc(N2CCC(C)CC2)cc1)c1ncco1 ZINC000925010919 1122572602 /nfs/dbraw/zinc/57/26/02/1122572602.db2.gz IOUMVZNNZJIKJD-OAHLLOKOSA-N 0 0 299.418 3.762 20 10 CHCDRN CCN(C[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(OC)c(OC)c1 ZINC001192099354 1122630062 /nfs/dbraw/zinc/63/00/62/1122630062.db2.gz DAHCEEAMZUTOQD-QLFBSQMISA-N 0 0 289.419 3.966 20 10 CHCDRN COc1ccc2c(c1)CCCCN2CC1CC(C)C1 ZINC001192315491 1122638581 /nfs/dbraw/zinc/63/85/81/1122638581.db2.gz QYKVJTAEXQQLGJ-UHFFFAOYSA-N 0 0 259.393 3.884 20 10 CHCDRN CC[C@@H]([NH2+][C@H]1CCCOCC1)c1cc(Cl)ccc1O ZINC000775532254 1122649006 /nfs/dbraw/zinc/64/90/06/1122649006.db2.gz UINPTUBHUZJOMI-GXTWGEPZSA-N 0 0 283.799 3.655 20 10 CHCDRN Cc1ccc(C)c(CN2CCOc3cc(N(C)C)ccc32)c1 ZINC001192939970 1122666128 /nfs/dbraw/zinc/66/61/28/1122666128.db2.gz XTFIREBHCLDLCS-UHFFFAOYSA-N 0 0 296.414 3.768 20 10 CHCDRN COc1cccc(CN2CCCc3c(C)cccc32)c1O ZINC000780773835 1129070131 /nfs/dbraw/zinc/07/01/31/1129070131.db2.gz CQQVGFZBVKNNHV-UHFFFAOYSA-N 0 0 283.371 3.662 20 10 CHCDRN CCCCCOC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001193777743 1122715630 /nfs/dbraw/zinc/71/56/30/1122715630.db2.gz RBXSTYHKVDYKHE-UHFFFAOYSA-N 0 0 290.407 3.703 20 10 CHCDRN CCCCCOC(=O)NCc1cc2ccccc2cc1O ZINC001193787654 1122715979 /nfs/dbraw/zinc/71/59/79/1122715979.db2.gz AVKRYXGJLLXDPO-UHFFFAOYSA-N 0 0 287.359 3.962 20 10 CHCDRN CCCC[C@@H](CC)COC(=O)NCc1cccc(O)c1O ZINC001193982724 1122734363 /nfs/dbraw/zinc/73/43/63/1122734363.db2.gz CBISIJUCHKZQDG-GFCCVEGCSA-N 0 0 295.379 3.540 20 10 CHCDRN CC[C@H](C)COC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001194813836 1122807948 /nfs/dbraw/zinc/80/79/48/1122807948.db2.gz APVRDSJLKVNYOQ-AWEZNQCLSA-N 0 0 290.407 3.559 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCc2ccccc2C1 ZINC000775632861 1122837570 /nfs/dbraw/zinc/83/75/70/1122837570.db2.gz BTSSWVVKLGINGE-UHFFFAOYSA-N 0 0 291.753 3.743 20 10 CHCDRN COc1cccc(C[N@H+](C)Cc2cccc(Cl)c2[O-])c1 ZINC000775642487 1122852207 /nfs/dbraw/zinc/85/22/07/1122852207.db2.gz LEHZOAZVXQSXDY-UHFFFAOYSA-N 0 0 291.778 3.686 20 10 CHCDRN COc1cc2c(c(OC)c1)N(CCC1CCC1)CCC2 ZINC001195177716 1122852749 /nfs/dbraw/zinc/85/27/49/1122852749.db2.gz ISFFOTBQRRBWAD-UHFFFAOYSA-N 0 0 275.392 3.647 20 10 CHCDRN C[C@@H](Nc1ccc2c(c1)CCCN2C)c1ccccc1O ZINC000183686247 1129082389 /nfs/dbraw/zinc/08/23/89/1129082389.db2.gz ZMKNUXAVLDWCBI-CYBMUJFWSA-N 0 0 282.387 3.948 20 10 CHCDRN CC[C@@H](C)C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775654966 1122866884 /nfs/dbraw/zinc/86/68/84/1122866884.db2.gz SFMDOKTWFIZWHM-SECBINFHSA-N 0 0 259.752 3.663 20 10 CHCDRN COc1ccc(N(C)Cc2cc(C(F)(F)F)co2)cc1 ZINC001195819214 1122891723 /nfs/dbraw/zinc/89/17/23/1122891723.db2.gz WDYVLWKUSLBPBL-UHFFFAOYSA-N 0 0 285.265 3.943 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000775677156 1122901237 /nfs/dbraw/zinc/90/12/37/1122901237.db2.gz ICYWFLCSFIDTGK-CYBMUJFWSA-N 0 0 269.747 3.559 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000775723512 1122924881 /nfs/dbraw/zinc/92/48/81/1122924881.db2.gz HICQJELAMBRUPG-ZIAGYGMSSA-N 0 0 297.851 3.906 20 10 CHCDRN Oc1cccc(NC2=CC[C@@H](C(F)(F)F)CC2)c1O ZINC001196887557 1122936405 /nfs/dbraw/zinc/93/64/05/1122936405.db2.gz LUZKIZVIFUSDFZ-MRVPVSSYSA-N 0 0 273.254 3.756 20 10 CHCDRN Cc1cccc(NC(=O)[C@H](C)Sc2nccs2)c1C ZINC000048875609 1122956057 /nfs/dbraw/zinc/95/60/57/1122956057.db2.gz MCRCJXBWJYJBRB-NSHDSACASA-N 0 0 292.429 3.879 20 10 CHCDRN Cc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1F ZINC000775828403 1122983456 /nfs/dbraw/zinc/98/34/56/1122983456.db2.gz QMYCMEZFUHFBDH-UHFFFAOYSA-N 0 0 297.732 3.922 20 10 CHCDRN COc1ccc(N(Cc2c[nH]cn2)Cc2ccccc2)cc1 ZINC000776101104 1123056526 /nfs/dbraw/zinc/05/65/26/1123056526.db2.gz DPDYSYIZXFUZFL-UHFFFAOYSA-N 0 0 293.370 3.625 20 10 CHCDRN CN(C)c1ccc(/C=C\CNc2ccc3c(c2)CCO3)cc1 ZINC001201298804 1123085058 /nfs/dbraw/zinc/08/50/58/1123085058.db2.gz NHTAFTVCDJFKSK-ARJAWSKDSA-N 0 0 294.398 3.813 20 10 CHCDRN Cc1c(Nc2ccc(N)cc2)cnn1-c1ccccc1 ZINC001201375978 1123093540 /nfs/dbraw/zinc/09/35/40/1123093540.db2.gz XZUKZNSQEDJUNE-UHFFFAOYSA-N 0 0 264.332 3.507 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000776174950 1123101473 /nfs/dbraw/zinc/10/14/73/1123101473.db2.gz LBNOFQDKHCFUQJ-ZDUSSCGKSA-N 0 0 287.790 3.865 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNc1cnn(CC(C)C)c1 ZINC001201464829 1123103366 /nfs/dbraw/zinc/10/33/66/1123103366.db2.gz BTKDOOHNODNDRJ-UHFFFAOYSA-N 0 0 296.418 3.951 20 10 CHCDRN COc1ccc(CO)cc1Nc1ccc(NC(C)C)cc1 ZINC001201499032 1123111101 /nfs/dbraw/zinc/11/11/01/1123111101.db2.gz KWWHDIQWVGGTJB-UHFFFAOYSA-N 0 0 286.375 3.751 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccccc2C(=O)N(C)C)cc1 ZINC001201497849 1123111107 /nfs/dbraw/zinc/11/11/07/1123111107.db2.gz KVQXIBLOPGQSPO-UHFFFAOYSA-N 0 0 297.402 3.952 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc(F)cc2CO)cc1 ZINC001201500304 1123112396 /nfs/dbraw/zinc/11/23/96/1123112396.db2.gz YNQKOYCVARXKMT-UHFFFAOYSA-N 0 0 274.339 3.882 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc3c(c2)NC(=O)NC3)cc1 ZINC001201506174 1123113375 /nfs/dbraw/zinc/11/33/75/1123113375.db2.gz VEJPCZZMTYCOBR-UHFFFAOYSA-N 0 0 296.374 3.886 20 10 CHCDRN CCN(Cc1ccccc1O)C(=O)Nc1ccc(F)cc1 ZINC001202354577 1123201245 /nfs/dbraw/zinc/20/12/45/1123201245.db2.gz FEEJMWKWYNKKNK-UHFFFAOYSA-N 0 0 288.322 3.585 20 10 CHCDRN C[C@@H](NC(=O)Nc1ccc(Cl)cc1)c1ccccc1O ZINC001202379795 1123203932 /nfs/dbraw/zinc/20/39/32/1123203932.db2.gz YPILKTUBKVZWIW-SNVBAGLBSA-N 0 0 290.750 3.928 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC[C@@H](C)C1 ZINC000776451597 1123233901 /nfs/dbraw/zinc/23/39/01/1123233901.db2.gz XIIBVCDCFIIMPN-ZBFHGGJFSA-N 0 0 288.435 3.537 20 10 CHCDRN CO[C@@H](CSc1ncc(Cl)s1)CC(C)C ZINC000850001755 1123235952 /nfs/dbraw/zinc/23/59/52/1123235952.db2.gz MOTFVHYPVWJPMO-MRVPVSSYSA-N 0 0 265.831 3.950 20 10 CHCDRN CO[C@H](CSc1ncc(Cl)s1)CC(C)C ZINC000850001756 1123236393 /nfs/dbraw/zinc/23/63/93/1123236393.db2.gz MOTFVHYPVWJPMO-QMMMGPOBSA-N 0 0 265.831 3.950 20 10 CHCDRN CCc1nocc1CSc1ncc(Cl)s1 ZINC000850001935 1123236971 /nfs/dbraw/zinc/23/69/71/1123236971.db2.gz PNBWQGHCKPAQHD-UHFFFAOYSA-N 0 0 260.771 3.639 20 10 CHCDRN CC1(C)CC[C@H](CSc2ncc(Cl)s2)O1 ZINC000850000237 1123237018 /nfs/dbraw/zinc/23/70/18/1123237018.db2.gz NOFHRNPWXRLOMB-SSDOTTSWSA-N 0 0 263.815 3.846 20 10 CHCDRN CC(C)(C)C(=O)CCSc1ncc(Cl)s1 ZINC000850000239 1123237082 /nfs/dbraw/zinc/23/70/82/1123237082.db2.gz NPRHQYWEGPYURZ-UHFFFAOYSA-N 0 0 263.815 3.894 20 10 CHCDRN CCOc1cccc(CNc2cncc3c2CCCC3)c1O ZINC000850343415 1123254524 /nfs/dbraw/zinc/25/45/24/1123254524.db2.gz UWFRIMYTFCDMKW-UHFFFAOYSA-N 0 0 298.386 3.677 20 10 CHCDRN COc1cc(C)c(C)cc1NCc1cc(C)ccc1O ZINC000850355110 1123255453 /nfs/dbraw/zinc/25/54/53/1123255453.db2.gz GLDVHHQIVAOZBK-UHFFFAOYSA-N 0 0 271.360 3.938 20 10 CHCDRN Oc1ccc(Cl)cc1CNc1ccc2c(c1)CCOC2 ZINC000850382267 1123261378 /nfs/dbraw/zinc/26/13/78/1123261378.db2.gz PXCQBZDBHYEWRG-UHFFFAOYSA-N 0 0 289.762 3.730 20 10 CHCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCCc1ccco1 ZINC000850407836 1123264232 /nfs/dbraw/zinc/26/42/32/1123264232.db2.gz PTCSPORQDXUKJS-UHFFFAOYSA-N 0 0 283.730 3.500 20 10 CHCDRN C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-])c1ccccn1 ZINC000850483058 1123274557 /nfs/dbraw/zinc/27/45/57/1123274557.db2.gz ULSRSWJZDWCYCV-NEPJUHHUSA-N 0 0 290.794 3.895 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1cscn1 ZINC000850511275 1123278219 /nfs/dbraw/zinc/27/82/19/1123278219.db2.gz BCSOKPHTHGCUOQ-JGVFFNPUSA-N 0 0 284.331 3.539 20 10 CHCDRN CC[C@@H](O)C[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000850529092 1123283945 /nfs/dbraw/zinc/28/39/45/1123283945.db2.gz NHBPTYZECIBVAH-BXKDBHETSA-N 0 0 292.206 3.511 20 10 CHCDRN CC[C@@H]([NH2+]CCC(C)(C)F)c1ccc(F)cc1[O-] ZINC000850531624 1123284868 /nfs/dbraw/zinc/28/48/68/1123284868.db2.gz LPFMSEIVAJOZGR-GFCCVEGCSA-N 0 0 257.324 3.710 20 10 CHCDRN CC[C@H]([NH2+]CCc1ccoc1)c1cccc(Cl)c1[O-] ZINC000850532221 1123285429 /nfs/dbraw/zinc/28/54/29/1123285429.db2.gz RSSGDANPZXLMCE-AWEZNQCLSA-N 0 0 279.767 3.922 20 10 CHCDRN CC[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccc(F)cc1[O-] ZINC000850535692 1123286766 /nfs/dbraw/zinc/28/67/66/1123286766.db2.gz ZJKJLVBCAYZLHI-KYOSRNDESA-N 0 0 281.371 3.530 20 10 CHCDRN C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccc(F)cc1[O-] ZINC000850536216 1123287199 /nfs/dbraw/zinc/28/71/99/1123287199.db2.gz IMVHCEXTBZLGIM-NOZJJQNGSA-N 0 0 273.298 3.617 20 10 CHCDRN CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000850570187 1123294453 /nfs/dbraw/zinc/29/44/53/1123294453.db2.gz FLLGIQIHIMXEPU-OHILOLKFSA-N 0 0 290.190 3.527 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1nccn1C)c1cccc(Cl)c1[O-] ZINC000850572665 1123295067 /nfs/dbraw/zinc/29/50/67/1123295067.db2.gz NCLPFNPJTQIORY-MFKMUULPSA-N 0 0 293.798 3.581 20 10 CHCDRN C[C@H](NCC(F)(F)C(C)(C)C)c1ccc(F)cc1O ZINC000850571990 1123295091 /nfs/dbraw/zinc/29/50/91/1123295091.db2.gz GBZPXXRRIOZKNS-VIFPVBQESA-N 0 0 275.314 3.863 20 10 CHCDRN C[C@@H]1N(C(=O)Cc2ccc(N)cc2)c2ccccc2C1(C)C ZINC000851646264 1123371943 /nfs/dbraw/zinc/37/19/43/1123371943.db2.gz ZQCZPBZSCXYOTH-ZDUSSCGKSA-N 0 0 294.398 3.524 20 10 CHCDRN Nc1ccc(NC(=O)[C@H]2CC[C@H](C3CCC3)CC2)cc1 ZINC000851633205 1123371989 /nfs/dbraw/zinc/37/19/89/1123371989.db2.gz CGQHCNTZRBDMRM-HDJSIYSDSA-N 0 0 272.392 3.814 20 10 CHCDRN Cc1nc(CN2CCCc3cc(OC(F)F)ccc32)co1 ZINC000851824063 1123383253 /nfs/dbraw/zinc/38/32/53/1123383253.db2.gz BLSHUVSJXDWKNB-UHFFFAOYSA-N 0 0 294.301 3.537 20 10 CHCDRN CC(C)c1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000008170752 1123394947 /nfs/dbraw/zinc/39/49/47/1123394947.db2.gz DCXANLDDMVRBGC-UHFFFAOYSA-N 0 0 296.414 3.806 20 10 CHCDRN C[C@@H]([NH2+]CCc1ccc(F)cc1F)c1ccccc1O ZINC000783510992 1123403556 /nfs/dbraw/zinc/40/35/56/1123403556.db2.gz WCZTVCLTQMXIPQ-LLVKDONJSA-N 0 0 277.314 3.564 20 10 CHCDRN CCN(CC)c1ccc(CNc2cc(C(C)=O)ccn2)cc1 ZINC000853192700 1123427975 /nfs/dbraw/zinc/42/79/75/1123427975.db2.gz NAKDGYLDLGJTOV-UHFFFAOYSA-N 0 0 297.402 3.743 20 10 CHCDRN CC(C)(C[NH2+]Cc1cccc(Cl)c1[O-])CC(F)F ZINC000895533705 1123488536 /nfs/dbraw/zinc/48/85/36/1123488536.db2.gz AHTOITMWWBJKSV-UHFFFAOYSA-N 0 0 277.742 3.817 20 10 CHCDRN O=C(Nc1ccccc1NC1CCC1)C1=CC(=O)CS1 ZINC000855015398 1123503988 /nfs/dbraw/zinc/50/39/88/1123503988.db2.gz AEQZPIJXCYTDLR-UHFFFAOYSA-N 0 0 288.372 3.670 20 10 CHCDRN C[C@H]1N(C(=O)C2=CC(=O)CS2)c2ccccc2C1(C)C ZINC000855905923 1123540611 /nfs/dbraw/zinc/54/06/11/1123540611.db2.gz IOKJQAGMGNLHDN-SNVBAGLBSA-N 0 0 287.384 3.780 20 10 CHCDRN O=C(NC1CCC(C2CCC2)CC1)C1=CC(=O)CS1 ZINC000856256833 1123553265 /nfs/dbraw/zinc/55/32/65/1123553265.db2.gz OYBUXPNPAGBUIS-UHFFFAOYSA-N 0 0 279.405 3.542 20 10 CHCDRN CCCCC[C@@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000856271613 1123554043 /nfs/dbraw/zinc/55/40/43/1123554043.db2.gz JPYQJZUNBLGFGT-CYBMUJFWSA-N 0 0 291.391 3.673 20 10 CHCDRN COc1ccc(N(C)Cc2ccnc(C)c2)cc1Cl ZINC000856728311 1123565566 /nfs/dbraw/zinc/56/55/66/1123565566.db2.gz QXGIIVOXNJWSOP-UHFFFAOYSA-N 0 0 276.767 3.688 20 10 CHCDRN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)sc1C ZINC000857547812 1123606681 /nfs/dbraw/zinc/60/66/81/1123606681.db2.gz VCCLQQXWONHLGM-UHFFFAOYSA-N 0 0 295.791 3.654 20 10 CHCDRN C/C=C/C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000858538325 1123659342 /nfs/dbraw/zinc/65/93/42/1123659342.db2.gz UEBUAMSFGSUXCP-RTMURIBGSA-N 0 0 288.160 3.521 20 10 CHCDRN CC(C)(O)C=CNc1ccc(CCc2ccc(N)cc2)cc1 ZINC001203219822 1123637837 /nfs/dbraw/zinc/63/78/37/1123637837.db2.gz GIJSEYVRMUPODL-BUHFOSPRSA-N 0 0 296.414 3.751 20 10 CHCDRN C/C=C\C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000858536727 1123660705 /nfs/dbraw/zinc/66/07/05/1123660705.db2.gz JJFPHJAAUSZQCA-TUUFMJSCSA-N 0 0 288.160 3.521 20 10 CHCDRN Cc1cc(CNc2nnc(C)o2)c(C)n1-c1cccc(C)c1 ZINC000858800340 1123671975 /nfs/dbraw/zinc/67/19/75/1123671975.db2.gz INSQOPPICBXTLL-UHFFFAOYSA-N 0 0 296.374 3.706 20 10 CHCDRN Cc1cc(CNC(=O)N(C)C(C)C)c(C)n1-c1ccccc1 ZINC000859362796 1123695737 /nfs/dbraw/zinc/69/57/37/1123695737.db2.gz LUUUAULEIOIDCN-UHFFFAOYSA-N 0 0 299.418 3.644 20 10 CHCDRN CC(C)(C)SCCSc1ncc([N+](=O)[O-])s1 ZINC000281800282 1123745577 /nfs/dbraw/zinc/74/55/77/1123745577.db2.gz GCLZRWDMMQHGEC-UHFFFAOYSA-N 0 0 278.424 3.675 20 10 CHCDRN Cc1c(C)n(C)c2ccc(OC(=O)C34CC(C3)C4)cc12 ZINC000860833680 1123751994 /nfs/dbraw/zinc/75/19/94/1123751994.db2.gz FOOYTABXNDLBNL-UHFFFAOYSA-N 0 0 269.344 3.501 20 10 CHCDRN CC[C@H]1C[C@H](CN2CCCc3cc(OC)ccc32)CCO1 ZINC000780767898 1123759513 /nfs/dbraw/zinc/75/95/13/1123759513.db2.gz ZUPGATAIVQPWTK-ZBFHGGJFSA-N 0 0 289.419 3.653 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000896950283 1123791649 /nfs/dbraw/zinc/79/16/49/1123791649.db2.gz DQCPPDLKRZKGBO-LBPRGKRZSA-N 0 0 297.851 3.954 20 10 CHCDRN Cc1cc(O)c(CN2Cc3ccc(O)cc3C2)c(Cl)c1 ZINC000862451332 1123811648 /nfs/dbraw/zinc/81/16/48/1123811648.db2.gz MDGVYEYALGTNRA-UHFFFAOYSA-N 0 0 289.762 3.575 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000862466073 1123813388 /nfs/dbraw/zinc/81/33/88/1123813388.db2.gz DIEOGGPYVKUXTA-UHFFFAOYSA-N 0 0 293.716 3.806 20 10 CHCDRN CCCC(CCC)C(=O)NCc1cc(C)ccc1O ZINC000862757996 1123827747 /nfs/dbraw/zinc/82/77/47/1123827747.db2.gz LEYSDKCNGLUGML-UHFFFAOYSA-N 0 0 263.381 3.533 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)c2c(C)cc(C)cc2C)c1 ZINC000862757910 1123827785 /nfs/dbraw/zinc/82/77/85/1123827785.db2.gz ICWVBCGWRLZXKT-UHFFFAOYSA-N 0 0 283.371 3.556 20 10 CHCDRN CC[C@@H](C(=O)NCc1cc(C)ccc1O)c1ccccc1 ZINC000862759844 1123828035 /nfs/dbraw/zinc/82/80/35/1123828035.db2.gz LXIXCDFBBJUILN-MRXNPFEDSA-N 0 0 283.371 3.511 20 10 CHCDRN CCO[C@@H](CSc1ncc(Cl)s1)C1CC1 ZINC000863347994 1123861962 /nfs/dbraw/zinc/86/19/62/1123861962.db2.gz MYRUYDFVQYGPLH-QMMMGPOBSA-N 0 0 263.815 3.704 20 10 CHCDRN C[C@@H](Nc1cc(F)cc(N(C)C)c1)c1ccccc1O ZINC000864025154 1123910441 /nfs/dbraw/zinc/91/04/41/1123910441.db2.gz NRKNGOHZZGRLEB-LLVKDONJSA-N 0 0 274.339 3.770 20 10 CHCDRN CC(C)Nc1ccccc1NCc1ccc(CO)cc1 ZINC000864041109 1123912573 /nfs/dbraw/zinc/91/25/73/1123912573.db2.gz JVHYJJLLRVJADQ-UHFFFAOYSA-N 0 0 270.376 3.611 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(C)cc1O ZINC000794805115 1123952254 /nfs/dbraw/zinc/95/22/54/1123952254.db2.gz FWCJAOCFELCBIU-AEFFLSMTSA-N 0 0 291.435 3.683 20 10 CHCDRN CCN(CC)c1ccc(CNc2ncc(C)s2)cc1 ZINC000302141634 1123957567 /nfs/dbraw/zinc/95/75/67/1123957567.db2.gz PCJOVKVKVCITMG-UHFFFAOYSA-N 0 0 275.421 3.910 20 10 CHCDRN Cc1cc(C(=O)NC(C)(C)C)c(C)n1-c1ccc(F)cc1 ZINC000023056404 1123982909 /nfs/dbraw/zinc/98/29/09/1123982909.db2.gz CRCTWIABRACAFP-UHFFFAOYSA-N 0 0 288.366 3.762 20 10 CHCDRN Cc1cc(Cl)cc([C@H](C)N[C@@H](C)c2csnn2)c1O ZINC000840886142 1123996851 /nfs/dbraw/zinc/99/68/51/1123996851.db2.gz PLTHLMVMKTZCTN-IUCAKERBSA-N 0 0 297.811 3.617 20 10 CHCDRN FC[C@H](NCc1ccc2c(c1)CCO2)c1ccc(F)cc1 ZINC000865822440 1124017402 /nfs/dbraw/zinc/01/74/02/1124017402.db2.gz HFENGDIRTSYFJU-INIZCTEOSA-N 0 0 289.325 3.561 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCCC12CC2)c1cc(F)cc(F)c1[O-] ZINC000866411692 1124064545 /nfs/dbraw/zinc/06/45/45/1124064545.db2.gz TZIORGXHOOJYHF-NOZJJQNGSA-N 0 0 267.319 3.654 20 10 CHCDRN CN(C)c1ccc(OC2CC(C)(C)N(O)C(C)(C)C2)cc1 ZINC001227939309 1124065445 /nfs/dbraw/zinc/06/54/45/1124065445.db2.gz RXDMWLZSCKBLFA-UHFFFAOYSA-N 0 0 292.423 3.542 20 10 CHCDRN C[C@@H](Nc1cnn2c1CCCC2)c1cc(Cl)ccc1O ZINC000866460761 1124069293 /nfs/dbraw/zinc/06/92/93/1124069293.db2.gz JJMRZKLKGFZCJO-SNVBAGLBSA-N 0 0 291.782 3.752 20 10 CHCDRN COc1ccc(N(C)Cc2cccnc2Cl)cc1F ZINC000121685284 1124099852 /nfs/dbraw/zinc/09/98/52/1124099852.db2.gz LFXWWTAPMPIEFF-UHFFFAOYSA-N 0 0 280.730 3.519 20 10 CHCDRN CN(C)c1ccc(CNc2ccccc2-n2cccn2)cc1 ZINC000121929538 1124450898 /nfs/dbraw/zinc/45/08/98/1124450898.db2.gz SFOCHAVFOFRKQN-UHFFFAOYSA-N 0 0 292.386 3.550 20 10 CHCDRN Cc1cccc(C)c1CNC(=O)N[C@H](C)c1ccccc1O ZINC000868414607 1124470858 /nfs/dbraw/zinc/47/08/58/1124470858.db2.gz GMTAWXCJTZHBAW-CQSZACIVSA-N 0 0 298.386 3.569 20 10 CHCDRN Cc1cc(C)cc(CNC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000868770534 1124485467 /nfs/dbraw/zinc/48/54/67/1124485467.db2.gz YGXLGESRHBJMFD-AWEZNQCLSA-N 0 0 298.386 3.569 20 10 CHCDRN O=C(CCCC1CCCC1)N1Cc2cccc(O)c2C1 ZINC000871202445 1124602185 /nfs/dbraw/zinc/60/21/85/1124602185.db2.gz HMALTTVIEGPZKS-UHFFFAOYSA-N 0 0 273.376 3.595 20 10 CHCDRN Cc1cc(C(=O)N2Cc3cccc(O)c3C2)c(C)n1C(C)C ZINC000871199247 1124602200 /nfs/dbraw/zinc/60/22/00/1124602200.db2.gz OTTPWTVNXYSUFT-UHFFFAOYSA-N 0 0 298.386 3.547 20 10 CHCDRN CC[C@H](CC1CCCC1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871203140 1124602836 /nfs/dbraw/zinc/60/28/36/1124602836.db2.gz URFDTPOMMQLNNL-CQSZACIVSA-N 0 0 287.403 3.841 20 10 CHCDRN C[C@H]1CC[C@@](C)(C(=O)N2Cc3cccc(O)c3C2)C1(C)C ZINC000871206221 1124604122 /nfs/dbraw/zinc/60/41/22/1124604122.db2.gz WSYNFIMUTIKKHQ-SGTLLEGYSA-N 0 0 287.403 3.697 20 10 CHCDRN CC(C)Nc1ccccc1NCc1coc(C2CC2)n1 ZINC000871846571 1124645102 /nfs/dbraw/zinc/64/51/02/1124645102.db2.gz RRYMAVOJNBUOAY-UHFFFAOYSA-N 0 0 271.364 3.984 20 10 CHCDRN CC(C)Nc1ccccc1NCCCOCC(F)(F)F ZINC000871846373 1124645308 /nfs/dbraw/zinc/64/53/08/1124645308.db2.gz YMFWEOBJUFEUII-UHFFFAOYSA-N 0 0 290.329 3.888 20 10 CHCDRN Cc1cccc(NC(=O)CNc2ccccc2NC(C)C)c1 ZINC000871847292 1124645343 /nfs/dbraw/zinc/64/53/43/1124645343.db2.gz NVUPMSJAGCAQJF-UHFFFAOYSA-N 0 0 297.402 3.866 20 10 CHCDRN CC(C)Nc1ccccc1NCc1nn(C)cc1Cl ZINC000871846088 1124645355 /nfs/dbraw/zinc/64/53/55/1124645355.db2.gz QJWWYHNKCYTGFV-UHFFFAOYSA-N 0 0 278.787 3.506 20 10 CHCDRN Cc1ccc(NC(=O)CNc2ccccc2NC(C)C)cc1 ZINC000871847878 1124645473 /nfs/dbraw/zinc/64/54/73/1124645473.db2.gz YXHCFRNAVCRTSZ-UHFFFAOYSA-N 0 0 297.402 3.866 20 10 CHCDRN CC(C)Nc1ccccc1NCC[C@@H]1CCCCO1 ZINC000871846750 1124645512 /nfs/dbraw/zinc/64/55/12/1124645512.db2.gz YVBBZSZMZFJRGQ-AWEZNQCLSA-N 0 0 262.397 3.878 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccc(F)cc1[O-] ZINC000872108385 1124685249 /nfs/dbraw/zinc/68/52/49/1124685249.db2.gz SPRWTHYPTUZOPN-ONQXIZJVSA-N 0 0 293.382 3.530 20 10 CHCDRN CC(C)OC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CCC1 ZINC000872116596 1124687342 /nfs/dbraw/zinc/68/73/42/1124687342.db2.gz TXDBZYYLDCECIF-GFCCVEGCSA-N 0 0 281.371 3.530 20 10 CHCDRN C[C@H](SCc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000019846095 1124753354 /nfs/dbraw/zinc/75/33/54/1124753354.db2.gz RXLZAWXZLFCGOY-LBPRGKRZSA-N 0 0 286.400 3.529 20 10 CHCDRN CC(=O)Nc1cccc(NCc2cc(Cl)ccc2O)c1 ZINC000019917277 1124770459 /nfs/dbraw/zinc/77/04/59/1124770459.db2.gz KGQXAUJSLOLHLL-UHFFFAOYSA-N 0 0 290.750 3.616 20 10 CHCDRN CC(C)C[C@@H](C(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC001122445463 1131300480 /nfs/dbraw/zinc/30/04/80/1131300480.db2.gz TVYISKLJZMKMOY-GOSISDBHSA-N 0 0 296.414 3.715 20 10 CHCDRN CC(C)(C)c1ccc(NC(=O)NCc2ccc(N)cc2)cc1 ZINC001239220579 1131306746 /nfs/dbraw/zinc/30/67/46/1131306746.db2.gz OXRYJZJYVIOHFD-UHFFFAOYSA-N 0 0 297.402 3.888 20 10 CHCDRN C[C@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000124688211 1124806252 /nfs/dbraw/zinc/80/62/52/1124806252.db2.gz JJLPEJOLDCZKPK-JQWIXIFHSA-N 0 0 253.773 3.714 20 10 CHCDRN CC(C)=CCC[C@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000875636649 1124897861 /nfs/dbraw/zinc/89/78/61/1124897861.db2.gz NSJJYCXOIQQZNY-ZDUSSCGKSA-N 0 0 288.391 3.552 20 10 CHCDRN Cc1ccc(N(C(=O)C2=CC(=O)CS2)C2CCC2)cc1 ZINC000923642421 1124905813 /nfs/dbraw/zinc/90/58/13/1124905813.db2.gz UXKWAMOCMSMKGP-UHFFFAOYSA-N 0 0 287.384 3.961 20 10 CHCDRN COc1ccccc1[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000876882829 1124987015 /nfs/dbraw/zinc/98/70/15/1124987015.db2.gz SRTHSXMTAFTCSS-JTQLQIEISA-N 0 0 293.313 3.530 20 10 CHCDRN COc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000876989235 1124994633 /nfs/dbraw/zinc/99/46/33/1124994633.db2.gz WBBZGYOTMQOQIH-SNVBAGLBSA-N 0 0 293.313 3.530 20 10 CHCDRN CC(C)([NH2+]Cc1ccc(F)c(F)c1[O-])c1cccc(F)c1 ZINC000877042947 1125001917 /nfs/dbraw/zinc/00/19/17/1125001917.db2.gz DBXMSGIMIWCYQS-UHFFFAOYSA-N 0 0 295.304 3.834 20 10 CHCDRN C[C@H](CCC(=O)N(C)c1ccc(N)cc1)c1ccccc1 ZINC000877075978 1125006354 /nfs/dbraw/zinc/00/63/54/1125006354.db2.gz KNZOEAXPSQEBJQ-CQSZACIVSA-N 0 0 282.387 3.816 20 10 CHCDRN CC(C)COc1ccc(C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877079451 1125006938 /nfs/dbraw/zinc/00/69/38/1125006938.db2.gz YZWWOAOQXTYTQM-UHFFFAOYSA-N 0 0 298.386 3.580 20 10 CHCDRN CC(C)[C@@H](Cc1ccccc1)C(=O)N(C)c1ccc(N)cc1 ZINC000877078106 1125006983 /nfs/dbraw/zinc/00/69/83/1125006983.db2.gz DDJLKCRBPCEQBR-GOSISDBHSA-N 0 0 296.414 3.747 20 10 CHCDRN CN(C(=O)CC(C)(C)c1ccccc1)c1ccc(N)cc1 ZINC000877078303 1125007460 /nfs/dbraw/zinc/00/74/60/1125007460.db2.gz LILRJOOCSGJDPY-UHFFFAOYSA-N 0 0 282.387 3.600 20 10 CHCDRN CN(C(=O)CCCC1CCCC1)c1ccc(N)cc1 ZINC000877077402 1125007266 /nfs/dbraw/zinc/00/72/66/1125007266.db2.gz GRQTVLOZNFQHFH-UHFFFAOYSA-N 0 0 260.381 3.592 20 10 CHCDRN CCc1ccc([C@H](C)CC(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877078515 1125007318 /nfs/dbraw/zinc/00/73/18/1125007318.db2.gz SFOHPIPOWPDKLH-CQSZACIVSA-N 0 0 296.414 3.988 20 10 CHCDRN CC1([NH2+]Cc2ccc(F)c(F)c2[O-])CCC(F)(F)CC1 ZINC000877303572 1125021672 /nfs/dbraw/zinc/02/16/72/1125021672.db2.gz KIMBGBJVVOGGEC-UHFFFAOYSA-N 0 0 291.288 3.728 20 10 CHCDRN CC(C)(C)c1cnc(CN2Cc3cccc(O)c3C2)s1 ZINC000877703208 1125065957 /nfs/dbraw/zinc/06/59/57/1125065957.db2.gz WFEZKIWAVFGRNE-UHFFFAOYSA-N 0 0 288.416 3.662 20 10 CHCDRN Cc1cccc(CNc2ccc(N(C)C)c(F)c2)c1O ZINC000877772924 1125079907 /nfs/dbraw/zinc/07/99/07/1125079907.db2.gz CIMAGSOZEYQIMD-UHFFFAOYSA-N 0 0 274.339 3.518 20 10 CHCDRN CSc1ccccc1N(C)C(=O)/C=C/c1cccnc1C ZINC001126633279 1125157388 /nfs/dbraw/zinc/15/73/88/1125157388.db2.gz AATPSPFMMGSDNF-ZHACJKMWSA-N 0 0 298.411 3.788 20 10 CHCDRN CC(C)(C)c1cnc(SCO[C@@H]2CCCOC2)s1 ZINC000882138818 1125337607 /nfs/dbraw/zinc/33/76/07/1125337607.db2.gz MTKYWZUDTARNGG-SNVBAGLBSA-N 0 0 287.450 3.686 20 10 CHCDRN CCc1nc([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])cs1 ZINC000882993200 1125366100 /nfs/dbraw/zinc/36/61/00/1125366100.db2.gz LBCANNWAJSTOIZ-MRVPVSSYSA-N 0 0 298.358 3.540 20 10 CHCDRN CSC[C@@H]1CCC[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000130931959 1125370544 /nfs/dbraw/zinc/37/05/44/1125370544.db2.gz JZPQYUXUILRUAC-AWEZNQCLSA-N 0 0 287.428 3.873 20 10 CHCDRN C[C@@H](CCCC(F)(F)F)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883102965 1125372427 /nfs/dbraw/zinc/37/24/27/1125372427.db2.gz HKFGKWMZOGPWRM-QMMMGPOBSA-N 0 0 297.267 3.881 20 10 CHCDRN COc1ccc(CNc2ccc3ccc(F)cc3n2)c(O)c1 ZINC000795283515 1129210158 /nfs/dbraw/zinc/21/01/58/1129210158.db2.gz ADVTWLHZYAVWBL-UHFFFAOYSA-N 0 0 298.317 3.700 20 10 CHCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001237934142 1129220681 /nfs/dbraw/zinc/22/06/81/1129220681.db2.gz HSRQAJZWSPUGHD-WDEREUQCSA-N 0 0 283.774 3.807 20 10 CHCDRN CC(=O)Nc1cc(N[C@H]2CCc3cccc(O)c32)ccc1C ZINC000296633891 1129223670 /nfs/dbraw/zinc/22/36/70/1129223670.db2.gz CJNGCZQUKCJYEK-HNNXBMFYSA-N 0 0 296.370 3.758 20 10 CHCDRN CCOc1ccc(NCc2ccccc2O)c(C)c1 ZINC000037781794 1129269968 /nfs/dbraw/zinc/26/99/68/1129269968.db2.gz JBTKHJKDDUMKDK-UHFFFAOYSA-N 0 0 257.333 3.711 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccncc1C ZINC000282604937 1129273502 /nfs/dbraw/zinc/27/35/02/1129273502.db2.gz YITPZPBYOQJMQH-UHFFFAOYSA-N 0 0 298.386 3.538 20 10 CHCDRN Cc1cccc(CNc2cccc(NC(=O)C3CC3)c2)c1O ZINC000378969332 1129285134 /nfs/dbraw/zinc/28/51/34/1129285134.db2.gz YRMMKQAEKDQDDS-UHFFFAOYSA-N 0 0 296.370 3.661 20 10 CHCDRN Cc1ccc2oc(NCc3ccc(N(C)C)c(F)c3)nc2c1 ZINC000734141153 1129297572 /nfs/dbraw/zinc/29/75/72/1129297572.db2.gz KZKTUWSIXSZBCW-UHFFFAOYSA-N 0 0 299.349 3.953 20 10 CHCDRN CCN(CC)c1ccc(CN(C)C(=O)CCC2CC2)cc1 ZINC000734317269 1129304146 /nfs/dbraw/zinc/30/41/46/1129304146.db2.gz YMIYOEJDDBPPFE-UHFFFAOYSA-N 0 0 288.435 3.681 20 10 CHCDRN C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000252774906 1129318881 /nfs/dbraw/zinc/31/88/81/1129318881.db2.gz ODWCAXDQJAIFRS-NQBHXWOUSA-N 0 0 267.800 3.960 20 10 CHCDRN CC(C)(C)[C@H]1CCCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000734873187 1129325400 /nfs/dbraw/zinc/32/54/00/1129325400.db2.gz YXSFDXHAHISGQY-NSHDSACASA-N 0 0 281.421 3.742 20 10 CHCDRN CCCC[C@@H](CC)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000735245158 1129336776 /nfs/dbraw/zinc/33/67/76/1129336776.db2.gz PWIRTVLQJJMRLA-OAHLLOKOSA-N 0 0 290.451 3.975 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC=CCC2)cc1 ZINC000736058874 1129369861 /nfs/dbraw/zinc/36/98/61/1129369861.db2.gz RLVUPKKEAGNSQM-QGZVFWFLSA-N 0 0 294.398 3.933 20 10 CHCDRN CN(C)c1ccc(CN(C)C(=O)C(C)(C)C2CCC2)cc1 ZINC000822264812 1131371667 /nfs/dbraw/zinc/37/16/67/1131371667.db2.gz DHTYYHWCDGJZBJ-UHFFFAOYSA-N 0 0 288.435 3.537 20 10 CHCDRN Cc1cc(C(=O)NC[C@H](C)C(C)C)c(C)n1-c1ccccn1 ZINC000739776477 1129408245 /nfs/dbraw/zinc/40/82/45/1129408245.db2.gz DLSZLBUNIJYIMQ-ZDUSSCGKSA-N 0 0 299.418 3.511 20 10 CHCDRN CS[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C1 ZINC000248483399 1129419487 /nfs/dbraw/zinc/41/94/87/1129419487.db2.gz CRYSXHDDTFNQEC-RAIGVLPGSA-N 0 0 283.412 3.856 20 10 CHCDRN FC(F)CN(Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000093276362 1129420375 /nfs/dbraw/zinc/42/03/75/1129420375.db2.gz LFPPFDWQINPLGF-UHFFFAOYSA-N 0 0 294.389 3.906 20 10 CHCDRN Cn1ccc2ncc(-c3cn(C)c4ccccc34)cc21 ZINC001239538950 1131373203 /nfs/dbraw/zinc/37/32/03/1131373203.db2.gz ZYEYTYBSVVTPHV-UHFFFAOYSA-N 0 0 261.328 3.732 20 10 CHCDRN CCS[C@H]1CC[C@H]([N@H+](C)Cc2cccc(OC)c2O)C1 ZINC000093868830 1129428630 /nfs/dbraw/zinc/42/86/30/1129428630.db2.gz YRIXGWKYTNNNDG-KBPBESRZSA-N 0 0 295.448 3.507 20 10 CHCDRN COc1ccc2c(c1)CCCCN2CCCCF ZINC000795970922 1129460848 /nfs/dbraw/zinc/46/08/48/1129460848.db2.gz VAWHAMVCQGSMJE-UHFFFAOYSA-N 0 0 251.345 3.588 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SCC1CCC1 ZINC000742448962 1129478779 /nfs/dbraw/zinc/47/87/79/1129478779.db2.gz BUHFAIPOCINBSB-UHFFFAOYSA-N 0 0 258.390 3.979 20 10 CHCDRN O=C(C[C@@H]1C=CCC1)NCc1ccc(N2CCCCC2)cc1 ZINC000742475706 1129481108 /nfs/dbraw/zinc/48/11/08/1129481108.db2.gz LKVDZBUFPFYIFJ-MRXNPFEDSA-N 0 0 298.430 3.649 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(-c2ccncc2F)cn1 ZINC001241226733 1129488406 /nfs/dbraw/zinc/48/84/06/1129488406.db2.gz MXCUXWPBAWXTKR-UHFFFAOYSA-N 0 0 267.307 3.690 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1[O-])C1CCOCC1 ZINC000796781239 1129490107 /nfs/dbraw/zinc/49/01/07/1129490107.db2.gz XMSNRZKEDFIRSQ-CVEARBPZSA-N 0 0 295.398 3.777 20 10 CHCDRN CC(C)[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(F)cc1 ZINC000743583597 1129530451 /nfs/dbraw/zinc/53/04/51/1129530451.db2.gz TWLOFYJZXBWZBG-CQSZACIVSA-N 0 0 293.363 3.720 20 10 CHCDRN COc1ccc(N(CC2CCC(=O)CC2)C(C)C)cc1F ZINC000828267801 1131380333 /nfs/dbraw/zinc/38/03/33/1131380333.db2.gz NVZUIGPYPMJHTC-UHFFFAOYSA-N 0 0 293.382 3.808 20 10 CHCDRN CCCN(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC000303792186 1129563418 /nfs/dbraw/zinc/56/34/18/1129563418.db2.gz IFUMTIBDDWORJY-UHFFFAOYSA-N 0 0 263.312 3.844 20 10 CHCDRN O=C(NCc1ccccc1O)[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000252725918 1129591409 /nfs/dbraw/zinc/59/14/09/1129591409.db2.gz HZZIMBPGNRPPPK-QLFBSQMISA-N 0 0 287.403 3.615 20 10 CHCDRN COc1ccc(N(Cc2cc(C)on2)CC(C)C)cc1 ZINC000746170890 1129628535 /nfs/dbraw/zinc/62/85/35/1129628535.db2.gz KEAWQHGOYLRZQE-UHFFFAOYSA-N 0 0 274.364 3.654 20 10 CHCDRN CCN(CC)c1ccc(N(C)c2ccc(N)cc2)cc1 ZINC001212970988 1129643967 /nfs/dbraw/zinc/64/39/67/1129643967.db2.gz URCGRNHVMARYPF-UHFFFAOYSA-N 0 0 269.392 3.883 20 10 CHCDRN Cc1cc(O)c(CNc2nc3ccc(F)cc3n2C)cc1C ZINC000766522567 1129682225 /nfs/dbraw/zinc/68/22/25/1129682225.db2.gz ZXHQCUZUCLXJSQ-UHFFFAOYSA-N 0 0 299.349 3.647 20 10 CHCDRN CC[C@@H]1C[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000822652387 1131392331 /nfs/dbraw/zinc/39/23/31/1131392331.db2.gz LWWBDLVEZSEGPW-NVXWUHKLSA-N 0 0 288.435 3.536 20 10 CHCDRN CC(C)COCCN(C)c1ccc(OC(C)C)cc1 ZINC001169252362 1129713362 /nfs/dbraw/zinc/71/33/62/1129713362.db2.gz DZABVLYOWXCQLG-UHFFFAOYSA-N 0 0 265.397 3.583 20 10 CHCDRN CNc1ccccc1N[C@H](C1CCC1)C(F)(F)F ZINC001169288451 1129716183 /nfs/dbraw/zinc/71/61/83/1129716183.db2.gz WSNHPSXOOSWCPC-GFCCVEGCSA-N 0 0 258.287 3.871 20 10 CHCDRN COc1ccc(N(CCC(C)C)C[C@H]2CCOC2)cc1 ZINC000796506230 1129764607 /nfs/dbraw/zinc/76/46/07/1129764607.db2.gz WAIZIEIZKBXNQW-OAHLLOKOSA-N 0 0 277.408 3.584 20 10 CHCDRN CCc1nc(C)cc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000804348094 1129778046 /nfs/dbraw/zinc/77/80/46/1129778046.db2.gz BKQRGWXQTPDQRL-UHFFFAOYSA-N 0 0 296.418 3.560 20 10 CHCDRN CC(C)c1cccnc1NCc1ccc(N(C)C)cc1 ZINC000767292827 1129784743 /nfs/dbraw/zinc/78/47/43/1129784743.db2.gz XWFDVRXYEZOHES-UHFFFAOYSA-N 0 0 269.392 3.883 20 10 CHCDRN O=C(OCc1cc2ccccc2o1)C1=CC(=O)CS1 ZINC000768030818 1129827379 /nfs/dbraw/zinc/82/73/79/1129827379.db2.gz JWDOOGVKOUBRMG-UHFFFAOYSA-N 0 0 274.297 3.557 20 10 CHCDRN COc1cccc(C[N@H+](C)Cc2cc(Cl)ccc2O)c1 ZINC000768164050 1129837676 /nfs/dbraw/zinc/83/76/76/1129837676.db2.gz WTMSIEUTGWZGIH-UHFFFAOYSA-N 0 0 291.778 3.686 20 10 CHCDRN Cc1ccc2c(C)cc(NCc3ccc(O)c(O)c3)nc2c1 ZINC001169990289 1129847086 /nfs/dbraw/zinc/84/70/86/1129847086.db2.gz DWODSNFXEAGVLJ-UHFFFAOYSA-N 0 0 294.354 3.875 20 10 CHCDRN Cc1ccc(NCc2ccc(O)c(O)c2)c2ncccc12 ZINC001169994829 1129871975 /nfs/dbraw/zinc/87/19/75/1129871975.db2.gz JLNYTFOWVSCAMR-UHFFFAOYSA-N 0 0 280.327 3.567 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000800527252 1129882144 /nfs/dbraw/zinc/88/21/44/1129882144.db2.gz YTDSGLKYRXFLLH-JTQLQIEISA-N 0 0 289.753 3.961 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CCC[C@H]1C ZINC000769000404 1129887125 /nfs/dbraw/zinc/88/71/25/1129887125.db2.gz AXJFBLLAXFEUQD-UKRRQHHQSA-N 0 0 288.435 3.504 20 10 CHCDRN CCC(C)(C)[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769381300 1129905572 /nfs/dbraw/zinc/90/55/72/1129905572.db2.gz NVOCHZADDCVEKM-UHFFFAOYSA-N 0 0 286.759 3.574 20 10 CHCDRN C[C@H](CCC1CC1)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000769417858 1129907277 /nfs/dbraw/zinc/90/72/77/1129907277.db2.gz PHNXDCKVCWKKLA-NXEZZACHSA-N 0 0 269.335 3.900 20 10 CHCDRN COc1ccc2c(c1)CCCN2CCCC1CCOCC1 ZINC000769548220 1129916903 /nfs/dbraw/zinc/91/69/03/1129916903.db2.gz TUFPXAXCEGZIHW-UHFFFAOYSA-N 0 0 289.419 3.655 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)CCC(C)C ZINC000801549950 1129927000 /nfs/dbraw/zinc/92/70/00/1129927000.db2.gz IMSNVDBONCYHMV-UHFFFAOYSA-N 0 0 277.408 3.957 20 10 CHCDRN CCOc1cc(NCc2cccc(OC)c2O)ccc1C ZINC000770419815 1129946738 /nfs/dbraw/zinc/94/67/38/1129946738.db2.gz CUFVOTDCFKGLSR-UHFFFAOYSA-N 0 0 287.359 3.720 20 10 CHCDRN C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886591716 1129974002 /nfs/dbraw/zinc/97/40/02/1129974002.db2.gz ABWWWRCCVCAPCX-SFYZADRCSA-N 0 0 265.250 3.523 20 10 CHCDRN Fc1cc(-c2nc(-c3ccco3)no2)ccc1-n1cccc1 ZINC000771192003 1129974111 /nfs/dbraw/zinc/97/41/11/1129974111.db2.gz URRJRQXAHBKDRZ-UHFFFAOYSA-N 0 0 295.273 3.926 20 10 CHCDRN CCOc1cccc(NCc2cccc(CC)c2O)c1 ZINC000691499985 1129977615 /nfs/dbraw/zinc/97/76/15/1129977615.db2.gz LXDZSJUYJIBXGQ-UHFFFAOYSA-N 0 0 271.360 3.965 20 10 CHCDRN Cc1ccc2c(c1)CCCN2C(=O)/C=C/c1cncc(C)c1 ZINC000772019744 1129998971 /nfs/dbraw/zinc/99/89/71/1129998971.db2.gz SAZPZIFCKRNNKV-SOFGYWHQSA-N 0 0 292.382 3.691 20 10 CHCDRN COc1cc(NCc2ccc(C)cc2O)cc(OC)c1C ZINC001206031748 1130017410 /nfs/dbraw/zinc/01/74/10/1130017410.db2.gz KORKBPDLYNPURH-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN COc1ccc(N[C@@H]2C[C@H](C)c3c2c(O)ccc3F)cn1 ZINC000785567140 1130042932 /nfs/dbraw/zinc/04/29/32/1130042932.db2.gz MDAOBCXZKGWIDW-JOYOIKCWSA-N 0 0 288.322 3.595 20 10 CHCDRN Cn1ccc2c1nccc2-c1cnc2ccccc2c1 ZINC001239795814 1130111109 /nfs/dbraw/zinc/11/11/09/1130111109.db2.gz AZKSMBGZSKRVIO-UHFFFAOYSA-N 0 0 259.312 3.789 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SCc1ccc(F)cn1 ZINC000786712893 1130112494 /nfs/dbraw/zinc/11/24/94/1130112494.db2.gz RVGYQAOUGASBFR-UHFFFAOYSA-N 0 0 299.374 3.914 20 10 CHCDRN C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1c([O-])cccc1F ZINC000903156100 1130120723 /nfs/dbraw/zinc/12/07/23/1130120723.db2.gz BTIVIAFDEQYYRM-ODWCKFRGSA-N 0 0 295.423 3.856 20 10 CHCDRN Oc1cccc2c1[C@@H](Nc1cccc(C3CC3)n1)CC2 ZINC000903269265 1130141810 /nfs/dbraw/zinc/14/18/10/1130141810.db2.gz QZHRSFKZZJWHRV-AWEZNQCLSA-N 0 0 266.344 3.764 20 10 CHCDRN C[C@@H](NCc1nc(C(C)(C)C)co1)c1cc(F)ccc1O ZINC000903313414 1130152857 /nfs/dbraw/zinc/15/28/57/1130152857.db2.gz PNENLUXLBSYWMY-SNVBAGLBSA-N 0 0 292.354 3.668 20 10 CHCDRN C[C@@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1ccc(F)cc1[O-] ZINC000903334809 1130160451 /nfs/dbraw/zinc/16/04/51/1130160451.db2.gz GOZXAJLNKYXCQU-PIGZYNQJSA-N 0 0 286.350 3.728 20 10 CHCDRN Cc1ncccc1CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000903417682 1130173269 /nfs/dbraw/zinc/17/32/69/1130173269.db2.gz FGNQIOAPPVJDSN-LBPRGKRZSA-N 0 0 290.794 3.642 20 10 CHCDRN Cc1cncc(/C=C/C(=O)N2CCc3cc(C)c(C)cc32)c1 ZINC000803458448 1130174389 /nfs/dbraw/zinc/17/43/89/1130174389.db2.gz HIIVSKXZZFWWDT-SNAWJCMRSA-N 0 0 292.382 3.609 20 10 CHCDRN O=[N+]([O-])c1cnc(Sc2ccccc2Cl)s1 ZINC000788318952 1130182130 /nfs/dbraw/zinc/18/21/30/1130182130.db2.gz MZBQPKQJEKEENK-UHFFFAOYSA-N 0 0 272.738 3.856 20 10 CHCDRN CSC1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CCC1 ZINC000788604525 1130197191 /nfs/dbraw/zinc/19/71/91/1130197191.db2.gz CDJRIRFTOWHXDT-VIFPVBQESA-N 0 0 287.375 3.607 20 10 CHCDRN Cc1ccc(O)c(CNCC(F)(F)c2ccccc2)c1 ZINC000788969582 1130220448 /nfs/dbraw/zinc/22/04/48/1130220448.db2.gz KEZWJYJAAUELGW-UHFFFAOYSA-N 0 0 277.314 3.582 20 10 CHCDRN 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CC[C@H](C)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000790378296 1130313364 /nfs/dbraw/zinc/31/33/64/1130313364.db2.gz RHFOIYOGPYUZQA-HNNXBMFYSA-N 0 0 290.451 3.926 20 10 CHCDRN CC[C@H]([NH2+]Cc1csc(C)n1)c1ccc(F)cc1[O-] ZINC000796695083 1130360317 /nfs/dbraw/zinc/36/03/17/1130360317.db2.gz NMARCHQMYBCOSD-ZDUSSCGKSA-N 0 0 280.368 3.537 20 10 CHCDRN CCOC(=O)c1ccc(-c2ccc3ccn(C)c3c2)c(C)n1 ZINC001240575310 1130369665 /nfs/dbraw/zinc/36/96/65/1130369665.db2.gz YGZTYWFAIBQMTB-UHFFFAOYSA-N 0 0 294.354 3.725 20 10 CHCDRN CCOCc1cncc(-c2ccc3ccn(C)c3c2)c1 ZINC001240577310 1130369803 /nfs/dbraw/zinc/36/98/03/1130369803.db2.gz TVTQVUKBWHIROE-UHFFFAOYSA-N 0 0 266.344 3.777 20 10 CHCDRN Cn1ccc2c1cccc2-c1cnn([C@@H]2CCCCO2)c1 ZINC001240675858 1130413309 /nfs/dbraw/zinc/41/33/09/1130413309.db2.gz BIODBINGTDBSIV-KRWDZBQOSA-N 0 0 281.359 3.741 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(-c2ccnc(C)c2)cn1 ZINC001240717038 1130436298 /nfs/dbraw/zinc/43/62/98/1130436298.db2.gz OVCKOKBKOZETRJ-UHFFFAOYSA-N 0 0 263.344 3.860 20 10 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IGCWKXJIBCQSEU-VIFPVBQESA-N 0 0 289.297 3.548 20 10 CHCDRN CCCCC[C@H]1CCCN1C(=O)c1ccc(C)c(O)c1O ZINC000780983133 1130698240 /nfs/dbraw/zinc/69/82/40/1130698240.db2.gz AYJSLGXVVAVOSK-ZDUSSCGKSA-N 0 0 291.391 3.591 20 10 CHCDRN Cc1ccc(C(=O)Nc2cccc3ccsc32)c(O)c1O ZINC000780994994 1130699233 /nfs/dbraw/zinc/69/92/33/1130699233.db2.gz IXLCGKPEHXGCLB-UHFFFAOYSA-N 0 0 299.351 3.873 20 10 CHCDRN Cc1cc(Cl)ncc1-c1nccc2c1ccn2C ZINC001244913791 1130703419 /nfs/dbraw/zinc/70/34/19/1130703419.db2.gz ONUBXSXXZQFIBQ-UHFFFAOYSA-N 0 0 257.724 3.597 20 10 CHCDRN COCC1(CN(C)c2ccc(OC)c(Cl)c2)CCC1 ZINC000812827574 1130717066 /nfs/dbraw/zinc/71/70/66/1130717066.db2.gz CVLZFBNJOMJPRG-UHFFFAOYSA-N 0 0 283.799 3.602 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCCCCC2)c1 ZINC000781892787 1130745628 /nfs/dbraw/zinc/74/56/28/1130745628.db2.gz DFYDSVQUJRMQME-UHFFFAOYSA-N 0 0 298.224 3.839 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[N@@H+](C(C)C)C2CC2)c1 ZINC000781898150 1130747600 /nfs/dbraw/zinc/74/76/00/1130747600.db2.gz UVJFDAUDJBSIJZ-UHFFFAOYSA-N 0 0 298.224 3.836 20 10 CHCDRN C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccccc1O ZINC000827963787 1130755328 /nfs/dbraw/zinc/75/53/28/1130755328.db2.gz AKMIPUDPQYNJGZ-XZJROXQQSA-N 0 0 299.345 3.512 20 10 CHCDRN Nc1ccc(C[N@@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC001235811496 1130782170 /nfs/dbraw/zinc/78/21/70/1130782170.db2.gz RGHTUTRVKKOTDV-KRWDZBQOSA-N 0 0 284.428 3.559 20 10 CHCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)C2CC2)cc1 ZINC000747874580 1130782324 /nfs/dbraw/zinc/78/23/24/1130782324.db2.gz PNEQCXQSAAMQHP-CQSZACIVSA-N 0 0 288.435 3.537 20 10 CHCDRN CC(C)C(C)(C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783314198 1130816484 /nfs/dbraw/zinc/81/64/84/1130816484.db2.gz JSABJXNRBKLSCE-NSHDSACASA-N 0 0 280.368 3.633 20 10 CHCDRN C[C@H](Cc1ccsc1)N(C)c1ccc2c(c1)OCO2 ZINC000783592248 1130841349 /nfs/dbraw/zinc/84/13/49/1130841349.db2.gz ZVSRBWGVAICURB-LLVKDONJSA-N 0 0 275.373 3.544 20 10 CHCDRN CN(C)c1ccc(CNC(=O)CCCC(C)(C)C)cc1 ZINC000216831927 1130847171 /nfs/dbraw/zinc/84/71/71/1130847171.db2.gz MBOLGIQROWTQCZ-UHFFFAOYSA-N 0 0 276.424 3.585 20 10 CHCDRN Cc1ccncc1/C=C/C(=O)N1CCCc2cc(F)ccc21 ZINC000783895429 1130863021 /nfs/dbraw/zinc/86/30/21/1130863021.db2.gz IBRVZKRCZYMOSX-QPJJXVBHSA-N 0 0 296.345 3.522 20 10 CHCDRN Cn1ccc2c1cccc2-c1cccnc1N1CCCC1 ZINC001236125870 1130870883 /nfs/dbraw/zinc/87/08/83/1130870883.db2.gz TYEZZEDIYLMOSC-UHFFFAOYSA-N 0 0 277.371 3.841 20 10 CHCDRN O=C(CSc1ncc(Cl)s1)OC1CCCCC1 ZINC000784627523 1130913925 /nfs/dbraw/zinc/91/39/25/1130913925.db2.gz CEZQQONBNKJPSE-UHFFFAOYSA-N 0 0 291.825 3.765 20 10 CHCDRN CC[C@@H]([NH2+]CCc1ccccc1F)c1ccc(F)cc1[O-] ZINC000796672740 1130922615 /nfs/dbraw/zinc/92/26/15/1130922615.db2.gz NMCWAFLQALNANS-MRXNPFEDSA-N 0 0 291.341 3.954 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)Cc1ccco1)c1ccc(F)cc1[O-] ZINC000796677121 1130924174 /nfs/dbraw/zinc/92/41/74/1130924174.db2.gz AABLHWDYRFQBAL-ABAIWWIYSA-N 0 0 277.339 3.796 20 10 CHCDRN CCCC(O)(CCC)C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796772025 1130930713 /nfs/dbraw/zinc/93/07/13/1130930713.db2.gz OOTWWMSXTNJSER-OAHLLOKOSA-N 0 0 297.414 3.903 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)CCSC)c1ccc(F)cc1[O-] ZINC000796770621 1130931106 /nfs/dbraw/zinc/93/11/06/1130931106.db2.gz DWMPDHNVEDXTAI-ZWNOBZJWSA-N 0 0 271.401 3.714 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ccn(C(C)C)n1)c1ccc(F)cc1[O-] ZINC000796770907 1130931178 /nfs/dbraw/zinc/93/11/78/1130931178.db2.gz GCNDQJKLPPROOV-OAHLLOKOSA-N 0 0 291.370 3.550 20 10 CHCDRN CC[C@H]([NH2+]C[C@H](OC)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000796777694 1130931913 /nfs/dbraw/zinc/93/19/13/1130931913.db2.gz DMMCXKPAZLIQFW-ZFWWWQNUSA-N 0 0 283.387 3.633 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](CC)C1CCOCC1)c1ccc(F)cc1[O-] ZINC000796781246 1130932438 /nfs/dbraw/zinc/93/24/38/1130932438.db2.gz XMSNRZKEDFIRSQ-JKSUJKDBSA-N 0 0 295.398 3.777 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H](C)c1ccncc1)c1ccc(F)cc1[O-] ZINC000796798986 1130933794 /nfs/dbraw/zinc/93/37/94/1130933794.db2.gz OVJCQKMDURIZIS-BLLLJJGKSA-N 0 0 288.366 3.771 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)C1(C)CC1)c1ccc(F)cc1[O-] ZINC000796872056 1130942028 /nfs/dbraw/zinc/94/20/28/1130942028.db2.gz JKDVSVANQAUZDQ-MFKMUULPSA-N 0 0 251.345 3.761 20 10 CHCDRN COc1nc(C(C)C)ccc1-c1nccc2c1ccn2C ZINC001236439590 1130942122 /nfs/dbraw/zinc/94/21/22/1130942122.db2.gz QBFQZALKWGEWDA-UHFFFAOYSA-N 0 0 281.359 3.767 20 10 CHCDRN Cc1cc([C@H]2CCCN2Cc2ccc(N(C)C)c(C)c2)no1 ZINC000815011647 1130949297 /nfs/dbraw/zinc/94/92/97/1130949297.db2.gz VLORFZMXKBZTQE-GOSISDBHSA-N 0 0 299.418 3.695 20 10 CHCDRN CC[C@H]([NH2+]CCC1(C)CC1)c1ccc(F)cc1[O-] ZINC000796975822 1130950111 /nfs/dbraw/zinc/95/01/11/1130950111.db2.gz DLRYCEGKJRUIQO-ZDUSSCGKSA-N 0 0 251.345 3.762 20 10 CHCDRN CC[C@@H]([NH2+]CC1(SC)CCC1)c1ccc(F)cc1[O-] ZINC000796972325 1130950330 /nfs/dbraw/zinc/95/03/30/1130950330.db2.gz NCJYYYHORJBFAJ-CYBMUJFWSA-N 0 0 283.412 3.858 20 10 CHCDRN CCc1ccc(CN(C)c2ccc(OC)c(Cl)c2)nc1 ZINC000815060873 1130955059 /nfs/dbraw/zinc/95/50/59/1130955059.db2.gz DHXUEKCLVMPYOI-UHFFFAOYSA-N 0 0 290.794 3.942 20 10 CHCDRN COCCc1ccnc(N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000797043899 1130955678 /nfs/dbraw/zinc/95/56/78/1130955678.db2.gz BYQTYGUWCHWWEQ-CQSZACIVSA-N 0 0 299.418 3.510 20 10 CHCDRN Oc1ccc(Cl)cc1CNc1cccc(C2CC2)n1 ZINC000815144269 1130966188 /nfs/dbraw/zinc/96/61/88/1130966188.db2.gz WOJGGNSQBGCJLI-UHFFFAOYSA-N 0 0 274.751 3.930 20 10 CHCDRN Nc1ccc(Nc2cnc3cccc(F)c3c2)cc1 ZINC001159314375 1130971582 /nfs/dbraw/zinc/97/15/82/1130971582.db2.gz ZAGXWGTZBWGQHY-UHFFFAOYSA-N 0 0 253.280 3.700 20 10 CHCDRN COc1ccc2c(c1)CCN2Cc1cc(C)nc(Cl)c1 ZINC000797588994 1130995920 /nfs/dbraw/zinc/99/59/20/1130995920.db2.gz LHXDTBATFOGJRL-UHFFFAOYSA-N 0 0 288.778 3.615 20 10 CHCDRN C[C@@H]([NH2+]C1CC(C)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815595564 1131005717 /nfs/dbraw/zinc/00/57/17/1131005717.db2.gz VIFKLAVWTWCTMB-HWOCKDDLSA-N 0 0 273.298 3.860 20 10 CHCDRN COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)c([O-])c1Cl ZINC001236811075 1131010524 /nfs/dbraw/zinc/01/05/24/1131010524.db2.gz GJCHJVANPLLCGQ-MNOVXSKESA-N 0 0 283.799 3.675 20 10 CHCDRN COc1ccc(C[N@@H+]2CCCCC[C@H]2C)c([O-])c1Cl ZINC001236812722 1131011085 /nfs/dbraw/zinc/01/10/85/1131011085.db2.gz GSAWRDOSVOEIDF-LLVKDONJSA-N 0 0 283.799 3.819 20 10 CHCDRN COc1ccc(C[NH+]2[C@H](C)CCC[C@H]2C)c([O-])c1Cl ZINC001236806534 1131011875 /nfs/dbraw/zinc/01/18/75/1131011875.db2.gz YBEXMRIPGVNWOW-GHMZBOCLSA-N 0 0 283.799 3.817 20 10 CHCDRN C[C@H]([NH2+]CCC(C)(C)C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000815656856 1131012661 /nfs/dbraw/zinc/01/26/61/1131012661.db2.gz INYXKQJUAHHDCS-NSHDSACASA-N 0 0 292.379 3.777 20 10 CHCDRN C[C@H]([NH2+]C1CC(C(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000815642971 1131014866 /nfs/dbraw/zinc/01/48/66/1131014866.db2.gz PUHLJLNJRUFYQB-UNXYVOJBSA-N 0 0 292.379 3.776 20 10 CHCDRN C[C@@H](F)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815645308 1131015382 /nfs/dbraw/zinc/01/53/82/1131015382.db2.gz BCWSYGXRKPACQR-RKDXNWHRSA-N 0 0 279.277 3.810 20 10 CHCDRN 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CVRWNFHOMJNKFP-SWLSCSKDSA-N 0 0 297.826 3.586 20 10 CHCDRN CC(C)[C@@H]1C[C@H](C[NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000824798347 1131485177 /nfs/dbraw/zinc/48/51/77/1131485177.db2.gz CVRWNFHOMJNKFP-DOMZBBRYSA-N 0 0 297.826 3.586 20 10 CHCDRN CN(C(=O)C1=CC(=O)CS1)C1CCCCCCC1 ZINC000824939420 1131489630 /nfs/dbraw/zinc/48/96/30/1131489630.db2.gz VPIYOVLYGCJPAW-UHFFFAOYSA-N 0 0 267.394 3.639 20 10 CHCDRN Cc1cc(C)cc(NC(=O)NCc2cccc(C)c2O)c1 ZINC001202851963 1131531949 /nfs/dbraw/zinc/53/19/49/1131531949.db2.gz DLAHXBFUCGWYHX-UHFFFAOYSA-N 0 0 284.359 3.639 20 10 CHCDRN CC(C)C1CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139686366 1131629280 /nfs/dbraw/zinc/62/92/80/1131629280.db2.gz WHRXOVCWGGJPNK-UHFFFAOYSA-N 0 0 269.335 3.538 20 10 CHCDRN Oc1cccc2c1C[N@H+](Cc1ccccc1C(F)F)CC2 ZINC001139800719 1131637605 /nfs/dbraw/zinc/63/76/05/1131637605.db2.gz WMNCSULUDZPNBX-UHFFFAOYSA-N 0 0 289.325 3.888 20 10 CHCDRN CCc1csc(NCc2cc(Cl)ccc2O)n1 ZINC000845709235 1131651965 /nfs/dbraw/zinc/65/19/65/1131651965.db2.gz 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ZINC001227938676 1131770907 /nfs/dbraw/zinc/77/09/07/1131770907.db2.gz CEFUWHONOHWPIZ-HNNXBMFYSA-N 0 0 285.387 3.907 20 10 CHCDRN CN(C)c1ccc(O[C@@H]2CCC(=O)c3ccccc32)cc1 ZINC001227939214 1131772161 /nfs/dbraw/zinc/77/21/61/1131772161.db2.gz OUPZBJNSIDIAIS-GOSISDBHSA-N 0 0 281.355 3.849 20 10 CHCDRN Cc1ccccc1OC[C@H](C)Oc1ccc(N(C)C)cc1 ZINC001227939123 1131772563 /nfs/dbraw/zinc/77/25/63/1131772563.db2.gz MGDVTNFSOIUISG-HNNXBMFYSA-N 0 0 285.387 3.907 20 10 CHCDRN CN(C)c1ccc(O[C@H]2CCc3ccccc3C2)cc1 ZINC001227938890 1131772766 /nfs/dbraw/zinc/77/27/66/1131772766.db2.gz GWVPBSPGJUWOJG-SFHVURJKSA-N 0 0 267.372 3.689 20 10 CHCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001140584232 1131809590 /nfs/dbraw/zinc/80/95/90/1131809590.db2.gz JWCZLEBGHUJHLJ-UHFFFAOYSA-N 0 0 299.336 3.775 20 10 CHCDRN Nc1ccc(N(Cc2ccccc2)C(=O)c2ccco2)cc1 ZINC001147095634 1131810488 /nfs/dbraw/zinc/81/04/88/1131810488.db2.gz KNMQVHPJXLFOGI-UHFFFAOYSA-N 0 0 292.338 3.709 20 10 CHCDRN C/C(=C/C(C)(C)C)C(=O)NCCCSc1nccs1 ZINC000772981616 1131822819 /nfs/dbraw/zinc/82/28/19/1131822819.db2.gz IJTCVPVGNQFSGG-KHPPLWFESA-N 0 0 298.477 3.734 20 10 CHCDRN C[C@H](NC(=O)CC1=CCCCC1)c1ccc(N(C)C)cc1 ZINC000772999205 1131916228 /nfs/dbraw/zinc/91/62/28/1131916228.db2.gz ZMOOIFPTXRFQCJ-AWEZNQCLSA-N 0 0 286.419 3.820 20 10 CHCDRN Cc1nc([C@@H](C)NCc2ccc(N(C)C)c(C)c2)cs1 ZINC000773001425 1131916529 /nfs/dbraw/zinc/91/65/29/1131916529.db2.gz SENOKRMVIIDGEM-GFCCVEGCSA-N 0 0 289.448 3.677 20 10 CHCDRN C[C@@H](NC(=O)[C@@H]1CCC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000773010519 1131917865 /nfs/dbraw/zinc/91/78/65/1131917865.db2.gz BCAHZFOJSCQULJ-UKRRQHHQSA-N 0 0 288.435 3.756 20 10 CHCDRN C[C@@H](NC(=O)/C=C1/CC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000773009186 1131918172 /nfs/dbraw/zinc/91/81/72/1131918172.db2.gz PHRWHKDWQMHXMG-JRXZGGODSA-N 0 0 286.419 3.676 20 10 CHCDRN C[C@@H](NC(=O)[C@H](C)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773011039 1131919448 /nfs/dbraw/zinc/91/94/48/1131919448.db2.gz 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1132145282 /nfs/dbraw/zinc/14/52/82/1132145282.db2.gz IBLURORBJZAHMY-UHFFFAOYSA-N 0 0 297.402 3.517 20 10 CHCDRN CCC[C@H](C)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839914855 1132240024 /nfs/dbraw/zinc/24/00/24/1132240024.db2.gz CABCYVWCEXASGH-DZGCQCFKSA-N 0 0 290.451 3.544 20 10 CHCDRN CC[C@H]([NH2+]Cc1ccc(C)c(C)n1)c1ccc(F)cc1[O-] ZINC000840782928 1132286106 /nfs/dbraw/zinc/28/61/06/1132286106.db2.gz GGIMLHGVJVMOBY-INIZCTEOSA-N 0 0 288.366 3.784 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cnc(C)o1)c1cccc(Cl)c1[O-] ZINC000840794134 1132287510 /nfs/dbraw/zinc/28/75/10/1132287510.db2.gz DGJDNKCODROXBL-CYBMUJFWSA-N 0 0 280.755 3.583 20 10 CHCDRN Cc1noc2ncc(NCc3ccc(N(C)C)cc3C)cc12 ZINC000840880893 1132300711 /nfs/dbraw/zinc/30/07/11/1132300711.db2.gz FQLAVRCFXDRHJJ-UHFFFAOYSA-N 0 0 296.374 3.518 20 10 CHCDRN Cc1ccc(-c2noc(-c3nnsc3C3CC3)n2)c(C)c1 ZINC001212679651 1132308461 /nfs/dbraw/zinc/30/84/61/1132308461.db2.gz NFQQQAASKBNADD-UHFFFAOYSA-N 0 0 298.371 3.749 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000840962935 1132313304 /nfs/dbraw/zinc/31/33/04/1132313304.db2.gz ORUGGCOWPSDFBQ-ZYHUDNBSSA-N 0 0 275.726 3.555 20 10 CHCDRN CCOc1cccc(CNc2ccc3c(c2)CCCN3)c1O ZINC000841034497 1132321750 /nfs/dbraw/zinc/32/17/50/1132321750.db2.gz BXLBWSJADZRJKX-UHFFFAOYSA-N 0 0 298.386 3.761 20 10 CHCDRN CC(C)Oc1ccccc1CNc1ccc(N)cc1 ZINC000841040144 1132323131 /nfs/dbraw/zinc/32/31/31/1132323131.db2.gz KAWDIUYSVYBYSB-UHFFFAOYSA-N 0 0 256.349 3.668 20 10 CHCDRN Nc1ccc(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000841040594 1132323269 /nfs/dbraw/zinc/32/32/69/1132323269.db2.gz PITXLNMQQQVXSG-BXKDBHETSA-N 0 0 258.287 3.802 20 10 CHCDRN Cc1ccc2c(c1)[C@H](NC(=O)Nc1ccc(N)cc1)CCC2 ZINC000841298730 1132342554 /nfs/dbraw/zinc/34/25/54/1132342554.db2.gz DOQMPNDCLFSKOZ-QGZVFWFLSA-N 0 0 295.386 3.776 20 10 CHCDRN CC(C)[C@H]1CCC[C@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000841299708 1132342577 /nfs/dbraw/zinc/34/25/77/1132342577.db2.gz IMLAJCBGNXJWKR-WFASDCNBSA-N 0 0 275.396 3.605 20 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TXNFYKJJLDANBP-AWEZNQCLSA-N 0 0 287.388 3.603 20 10 CHCDRN Nc1ccc(NC(=O)NC[C@H]2CCCc3ccccc32)cc1 ZINC000841302472 1132344537 /nfs/dbraw/zinc/34/45/37/1132344537.db2.gz XOGBERYPUMELFL-CQSZACIVSA-N 0 0 295.386 3.510 20 10 CHCDRN CCC[C@H](Cc1ccccc1)NC(=O)Nc1ccc(N)cc1 ZINC000841301159 1132344732 /nfs/dbraw/zinc/34/47/32/1132344732.db2.gz CSVVQCWLOOMYHI-QGZVFWFLSA-N 0 0 297.402 3.802 20 10 CHCDRN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841302272 1132344823 /nfs/dbraw/zinc/34/48/23/1132344823.db2.gz RQNQWYPMQYIDPJ-CABCVRRESA-N 0 0 289.423 3.995 20 10 CHCDRN CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841302277 1132344897 /nfs/dbraw/zinc/34/48/97/1132344897.db2.gz RQNQWYPMQYIDPJ-LSDHHAIUSA-N 0 0 289.423 3.995 20 10 CHCDRN Cc1cc(C)c(CN2CCC[C@H]2C(F)(F)F)c(O)c1 ZINC001231841844 1132375692 /nfs/dbraw/zinc/37/56/92/1132375692.db2.gz DSGCHZWSWQNQBR-ZDUSSCGKSA-N 0 0 273.298 3.536 20 10 CHCDRN Cc1cc(C)c(C[N@H+](Cc2ccco2)C2CC2)c(O)c1 ZINC001231849153 1132378042 /nfs/dbraw/zinc/37/80/42/1132378042.db2.gz OUIPPIPKVQEJGB-UHFFFAOYSA-N 0 0 271.360 3.767 20 10 CHCDRN Cc1cc(O)c(CN2CCC(F)(F)[C@@H](F)C2)cc1Cl ZINC001231866895 1132381471 /nfs/dbraw/zinc/38/14/71/1132381471.db2.gz DVFWAGSBRMZNIZ-LBPRGKRZSA-N 0 0 293.716 3.533 20 10 CHCDRN Cc1cc(O)c(CN2CC(F)(F)C[C@H]2CF)cc1Cl ZINC001231866597 1132381849 /nfs/dbraw/zinc/38/18/49/1132381849.db2.gz ASOSXTXULHQQKH-JTQLQIEISA-N 0 0 293.716 3.533 20 10 CHCDRN CCCCC[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC001231869451 1132384437 /nfs/dbraw/zinc/38/44/37/1132384437.db2.gz RJXDAQCICWEPII-UHFFFAOYSA-N 0 0 255.789 3.976 20 10 CHCDRN Cc1nc2c(s1)CN(Cc1ccc3ccccc3c1O)C2 ZINC001231883927 1132390045 /nfs/dbraw/zinc/39/00/45/1132390045.db2.gz VKKUWOKKAWFBRP-UHFFFAOYSA-N 0 0 296.395 3.826 20 10 CHCDRN C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841751145 1132390629 /nfs/dbraw/zinc/39/06/29/1132390629.db2.gz LNSIOTOUAHSABV-NOHGZBONSA-N 0 0 283.799 3.652 20 10 CHCDRN COCC1(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCC1 ZINC000841755513 1132392253 /nfs/dbraw/zinc/39/22/53/1132392253.db2.gz HZOYDIZPJNVNHR-LBPRGKRZSA-N 0 0 297.826 3.903 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C1CCOCC1 ZINC000841757140 1132393989 /nfs/dbraw/zinc/39/39/89/1132393989.db2.gz FBGDOQRBEMRFLQ-MNOVXSKESA-N 0 0 283.799 3.511 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841759186 1132394735 /nfs/dbraw/zinc/39/47/35/1132394735.db2.gz OGMAIMQFNKQKDY-WOPDTQHZSA-N 0 0 283.799 3.511 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(Cl)cc1[O-] ZINC000841758906 1132395112 /nfs/dbraw/zinc/39/51/12/1132395112.db2.gz WDYBQUHMKUHBTH-DJBIQUGXSA-N 0 0 265.784 3.885 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(Cl)cc1[O-] ZINC000841761529 1132395732 /nfs/dbraw/zinc/39/57/32/1132395732.db2.gz YJDNOAJRGZGCNH-BWPSIRRCSA-N 0 0 295.810 3.654 20 10 CHCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001142526942 1132403012 /nfs/dbraw/zinc/40/30/12/1132403012.db2.gz CLWJNGHBQZIFQG-UHFFFAOYSA-N 0 0 299.336 3.775 20 10 CHCDRN COc1cc(O)c(C[N@@H+]2CCCCC23CC3)cc1Cl ZINC001232267703 1132446756 /nfs/dbraw/zinc/44/67/56/1132446756.db2.gz FHFZJQXJVPZQSJ-UHFFFAOYSA-N 0 0 281.783 3.573 20 10 CHCDRN COc1cc(O)c(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1Cl ZINC001232269507 1132447473 /nfs/dbraw/zinc/44/74/73/1132447473.db2.gz CKAHMLJZWUKLAX-RISCZKNCSA-N 0 0 295.810 3.819 20 10 CHCDRN C[C@@H]([NH2+]CC1CCC(F)CC1)c1ccc(F)cc1[O-] ZINC000842927303 1132476149 /nfs/dbraw/zinc/47/61/49/1132476149.db2.gz FFDWVGFKDHCXFS-VOMCLLRMSA-N 0 0 269.335 3.710 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000842929223 1132477705 /nfs/dbraw/zinc/47/77/05/1132477705.db2.gz NGBRDQKRELTUIP-HLTSFMKQSA-N 0 0 290.190 3.527 20 10 CHCDRN Nc1ccc(Cc2noc(C3CCC(F)(F)CC3)n2)cc1 ZINC000843158663 1132500032 /nfs/dbraw/zinc/50/00/32/1132500032.db2.gz FZFMWKPREBUJFZ-UHFFFAOYSA-N 0 0 293.317 3.536 20 10 CHCDRN CC(C)=C[C@H]1[C@@H](c2nc(Cc3ccc(N)cc3)no2)C1(C)C ZINC000843158941 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COc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000020976603 171282713 /nfs/dbraw/zinc/28/27/13/171282713.db2.gz RJFYQEBOIHVTNA-UHFFFAOYSA-N 0 0 296.370 3.548 20 10 CHCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000035733123 172384823 /nfs/dbraw/zinc/38/48/23/172384823.db2.gz ZXLPRMNRZGSQFW-ZETCQYMHSA-N 0 0 260.164 3.587 20 10 CHCDRN Cc1ccc(O)c(CNc2cc(F)c(F)c(F)c2)c1 ZINC000071409274 176156718 /nfs/dbraw/zinc/15/67/18/176156718.db2.gz WZOOXSNAKAMIFQ-UHFFFAOYSA-N 0 0 267.250 3.730 20 10 CHCDRN COc1cccc(C[NH2+][C@H](C)c2c(F)cccc2F)c1O ZINC000037771716 260116324 /nfs/dbraw/zinc/11/63/24/260116324.db2.gz IHYJJDAVRVQLST-SNVBAGLBSA-N 0 0 293.313 3.530 20 10 CHCDRN Cc1ccc(O)c(CNc2cccc(-c3cnco3)c2)c1 ZINC000071408137 260162397 /nfs/dbraw/zinc/16/23/97/260162397.db2.gz RDPXJCIVEADCLU-UHFFFAOYSA-N 0 0 280.327 3.968 20 10 CHCDRN CC(C)(C)c1cnc(SCC(=O)c2ccc[nH]2)s1 ZINC000164034461 261338513 /nfs/dbraw/zinc/33/85/13/261338513.db2.gz XZOBGEZNRPBAIR-UHFFFAOYSA-N 0 0 280.418 3.744 20 10 CHCDRN C[C@@H]([NH2+]Cc1ccoc1)c1cc2c(cc1O)CCCC2 ZINC000185106775 262041856 /nfs/dbraw/zinc/04/18/56/262041856.db2.gz HPFLVAXMGADEBL-GFCCVEGCSA-N 0 0 271.360 3.715 20 10 CHCDRN CC[C@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccccc1O ZINC000186100807 262079873 /nfs/dbraw/zinc/07/98/73/262079873.db2.gz OOUXEBMOQBYVMV-KRWDZBQOSA-N 0 0 290.451 3.553 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1C=CCCC1 ZINC000186419405 262092417 /nfs/dbraw/zinc/09/24/17/262092417.db2.gz LTSHWRDMHHRCSL-OAHLLOKOSA-N 0 0 287.403 3.877 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H]1C=CCCC1 ZINC000186419388 262092429 /nfs/dbraw/zinc/09/24/29/262092429.db2.gz LTSHWRDMHHRCSL-HNNXBMFYSA-N 0 0 287.403 3.877 20 10 CHCDRN Cc1ccc(C[N@@H+](C)Cc2cccc(F)c2[O-])s1 ZINC000272270659 263002880 /nfs/dbraw/zinc/00/28/80/263002880.db2.gz LGSGIVUSYBUYLG-UHFFFAOYSA-N 0 0 265.353 3.533 20 10 CHCDRN CC[C@H]([NH2+]CCCCCOC)c1cccc(Cl)c1[O-] ZINC000287854404 263102845 /nfs/dbraw/zinc/10/28/45/263102845.db2.gz WZVHXOKNEJKAMV-AWEZNQCLSA-N 0 0 285.815 3.903 20 10 CHCDRN Fc1cccc(N2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC000367395773 267007074 /nfs/dbraw/zinc/00/70/74/267007074.db2.gz DBIVOULLKFGJKI-UHFFFAOYSA-N 0 0 289.741 3.563 20 10 CHCDRN Cc1c2cc(OCC[C@H]3CCOC3)ccc2n(C)c1C ZINC000421185175 329806805 /nfs/dbraw/zinc/80/68/05/329806805.db2.gz CTGKHBVQHSMFHP-CQSZACIVSA-N 0 0 273.376 3.601 20 10 CHCDRN CC1(C)COc2cc(NCc3ccccc3O)ccc21 ZINC000527746609 330280615 /nfs/dbraw/zinc/28/06/15/330280615.db2.gz PKXIZJRSHBMTGA-UHFFFAOYSA-N 0 0 269.344 3.674 20 10 CHCDRN C[C@H](Nc1cccc2c1OCC2)c1cc(F)ccc1O ZINC000527957339 330294789 /nfs/dbraw/zinc/29/47/89/330294789.db2.gz AGMXYFOVNUKTDO-JTQLQIEISA-N 0 0 273.307 3.639 20 10 CHCDRN C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc(Cl)cc1[O-] ZINC000527926133 330296631 /nfs/dbraw/zinc/29/66/31/330296631.db2.gz OZQZIESUIRKGIC-NEPJUHHUSA-N 0 0 283.799 3.513 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C1(CC(C)C)CC1 ZINC000440886197 330757414 /nfs/dbraw/zinc/75/74/14/330757414.db2.gz LVARWWFMAHLZNF-UHFFFAOYSA-N 0 0 298.430 3.929 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H](C)C(C)C ZINC000471230383 331504181 /nfs/dbraw/zinc/50/41/81/331504181.db2.gz QBYOYCFOWQDMHI-CYBMUJFWSA-N 0 0 286.419 3.785 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCC[C@H](C)C1 ZINC000471230364 331504214 /nfs/dbraw/zinc/50/42/14/331504214.db2.gz PQACJAGKKUGVSC-ZFWWWQNUSA-N 0 0 298.430 3.929 20 10 CHCDRN CC[C@H](C)N(Cc1ccccc1)C(=O)Cc1ccc(N)cc1 ZINC000236972003 333376879 /nfs/dbraw/zinc/37/68/79/333376879.db2.gz IYRNGVQRRSIXHF-HNNXBMFYSA-N 0 0 296.414 3.639 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)c1cocc1C ZINC000529301300 333482269 /nfs/dbraw/zinc/48/22/69/333482269.db2.gz FKUYOCRDTRKMQF-UHFFFAOYSA-N 0 0 287.359 3.736 20 10 CHCDRN CC(C)C[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])CCO1 ZINC000273354415 519279777 /nfs/dbraw/zinc/27/97/77/519279777.db2.gz CHUHSRZFOXEGLI-BPLDGKMQSA-N 0 0 295.398 3.776 20 10 CHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)C1CC1 ZINC000267097537 519655281 /nfs/dbraw/zinc/65/52/81/519655281.db2.gz UWMYHYGKSASQEF-AWEZNQCLSA-N 0 0 288.435 3.536 20 10 CHCDRN CCCCC[C@H](C)CC(=O)NCCc1ccc(N)cc1 ZINC000236855506 520300964 /nfs/dbraw/zinc/30/09/64/520300964.db2.gz HPEBLYQNCFWJQY-AWEZNQCLSA-N 0 0 276.424 3.534 20 10 CHCDRN CCc1nc(C)c(C[NH2+][C@H](CC)c2ccc(F)cc2[O-])o1 ZINC000291888914 522212219 /nfs/dbraw/zinc/21/22/19/522212219.db2.gz KKUKIKNJBBXZJZ-CYBMUJFWSA-N 0 0 292.354 3.631 20 10 CHCDRN COc1cc(C)cc(NCc2ccccc2O)c1C ZINC000278656320 522250202 /nfs/dbraw/zinc/25/02/02/522250202.db2.gz GIKAIJZXUUFKMP-UHFFFAOYSA-N 0 0 257.333 3.630 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cc(C)no1)c1cccc(Cl)c1[O-] ZINC000287544527 522869852 /nfs/dbraw/zinc/86/98/52/522869852.db2.gz FHNGOHDMMQNJEH-CYBMUJFWSA-N 0 0 280.755 3.583 20 10 CHCDRN COCc1cccc(N[C@H](C)c2ccc(F)cc2O)c1 ZINC000062745983 523081023 /nfs/dbraw/zinc/08/10/23/523081023.db2.gz ZWTKMWMFKZKPOI-LLVKDONJSA-N 0 0 275.323 3.851 20 10 CHCDRN CCc1ccc(/C=C2\SC(=S)N(C3CCC3)C2=O)o1 ZINC000292350293 523873504 /nfs/dbraw/zinc/87/35/04/523873504.db2.gz PVMVOMTUUYMTAW-WQLSENKSSA-N 0 0 293.413 3.596 20 10 CHCDRN CCc1cccc(C)c1NC(=O)N(C)Cc1ccccc1O ZINC000047324474 524064205 /nfs/dbraw/zinc/06/42/05/524064205.db2.gz XBQAFBRIZBDTRY-UHFFFAOYSA-N 0 0 298.386 3.927 20 10 CHCDRN Cc1cccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000062745061 524439312 /nfs/dbraw/zinc/43/93/12/524439312.db2.gz KQNXFGRHZVHRFW-GFCCVEGCSA-N 0 0 259.324 3.691 20 10 CHCDRN Cc1cccc(CNc2cccc(-c3cnco3)c2)c1O ZINC000158016362 524443586 /nfs/dbraw/zinc/44/35/86/524443586.db2.gz UQAMHMJWCQXAOM-UHFFFAOYSA-N 0 0 280.327 3.968 20 10 CHCDRN COc1ccc(N[C@@H](C)c2ccccc2O)c(C)c1 ZINC000061565825 524700442 /nfs/dbraw/zinc/70/04/42/524700442.db2.gz ZSLZMRZJKHVVRH-LBPRGKRZSA-N 0 0 257.333 3.882 20 10 CHCDRN COc1ccc(N[C@@H](C)c2ccc(F)cc2O)cc1 ZINC000062744950 524700866 /nfs/dbraw/zinc/70/08/66/524700866.db2.gz GMNQOKOYGVXJNR-JTQLQIEISA-N 0 0 261.296 3.713 20 10 CHCDRN C[C@@H]([NH2+]CCC[C@H](C)O)c1cc(Cl)c(Cl)cc1[O-] ZINC000278973357 525441710 /nfs/dbraw/zinc/44/17/10/525441710.db2.gz CGPHPSMKYHZUPZ-DTWKUNHWSA-N 0 0 292.206 3.511 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000281109018 525499506 /nfs/dbraw/zinc/49/95/06/525499506.db2.gz LRCVRDUGFOYXHH-ZJUUUORDSA-N 0 0 273.298 3.617 20 10 CHCDRN C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1ccccc1 ZINC000062744686 525531428 /nfs/dbraw/zinc/53/14/28/525531428.db2.gz WUQYACQROYVIBZ-RYUDHWBXSA-N 0 0 259.324 3.943 20 10 CHCDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1 ZINC000037299593 525712551 /nfs/dbraw/zinc/71/25/51/525712551.db2.gz XYUZAUJUTNNUTH-GFCCVEGCSA-N 0 0 285.347 3.834 20 10 CHCDRN Cc1nc(CCOc2ccc(N3CCCC3)cc2)cs1 ZINC000276784977 526829961 /nfs/dbraw/zinc/82/99/61/526829961.db2.gz IGOZXAQPDWWZOC-UHFFFAOYSA-N 0 0 288.416 3.673 20 10 CHCDRN CCC(=O)Nc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1 ZINC000296698817 528437086 /nfs/dbraw/zinc/43/70/86/528437086.db2.gz HNOOHEPKNBILDD-OAHLLOKOSA-N 0 0 296.370 3.840 20 10 CHCDRN C[C@@H]([NH2+][C@@H](CCC(=O)[O-])c1ccccc1)c1ccccc1O ZINC001593204220 994198015 /nfs/dbraw/zinc/19/80/15/994198015.db2.gz OIYONNGFUCSUPL-CJNGLKHVSA-N 0 0 299.370 3.649 20 10 CHCDRN Cc1cc(CN2CCC(F)(F)C2)c(O)c(C(C)(C)C)c1 ZINC000776293010 1123208059 /nfs/dbraw/zinc/20/80/59/1123208059.db2.gz OVYNTJXUTJOAKL-UHFFFAOYSA-N 0 0 283.362 3.839 20 10 CHCDRN O=C1CCCCC[C@@H]1Sc1ncc(Cl)s1 ZINC000849999448 1123236227 /nfs/dbraw/zinc/23/62/27/1123236227.db2.gz RSGXSUWFRFYBHA-QMMMGPOBSA-N 0 0 261.799 3.790 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000850539185 1123287672 /nfs/dbraw/zinc/28/76/72/1123287672.db2.gz BKSZESUBUVBDHZ-SDBXPKJASA-N 0 0 255.308 3.510 20 10 CHCDRN CCC(CC)(CNC(=O)C1=CC(=O)CS1)C(F)(F)F ZINC000871264292 1124606213 /nfs/dbraw/zinc/60/62/13/1124606213.db2.gz NZBJIBCDHWJRON-UHFFFAOYSA-N 0 0 295.326 3.552 20 10 CHCDRN COc1ccc(N(C)Cc2nc(C)cs2)cc1Cl ZINC000131443682 1125392540 /nfs/dbraw/zinc/39/25/40/1125392540.db2.gz HTQMHBLQLVAUOA-UHFFFAOYSA-N 0 0 282.796 3.750 20 10 CHCDRN Cc1cc(C)c(CN2CCC[C@@H](F)C(F)(F)C2)c(O)c1 ZINC001231843001 1132375990 /nfs/dbraw/zinc/37/59/90/1132375990.db2.gz RRERKDRDTOFERK-CQSZACIVSA-N 0 0 287.325 3.578 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001231911824 1132399735 /nfs/dbraw/zinc/39/97/35/1132399735.db2.gz OCRIJFDRJXIQNR-JTQLQIEISA-N 0 0 275.726 3.523 20 10 CHCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])C1CCC(F)CC1 ZINC001206818683 1133750517 /nfs/dbraw/zinc/75/05/17/1133750517.db2.gz HCUIXINWLRKZSP-BMQDGWLCSA-N 0 0 287.325 3.677 20 10 CHCDRN Cc1cc(Cl)nc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000282909598 1125532984 /nfs/dbraw/zinc/53/29/84/1125532984.db2.gz XGIQMFXRZAPAAC-SNVBAGLBSA-N 0 0 294.757 3.739 20 10 CHCDRN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000215142548 1125561912 /nfs/dbraw/zinc/56/19/12/1125561912.db2.gz AYJOMQBPYVKITE-GJZGRUSLSA-N 0 0 275.396 3.605 20 10 CHCDRN CC(C)[C@@H]1CC[N@H+](Cc2cc(Br)ccc2O)C1 ZINC000135648240 1125594132 /nfs/dbraw/zinc/59/41/32/1125594132.db2.gz RRACALCNZXVZEO-LLVKDONJSA-N 0 0 298.224 3.633 20 10 CHCDRN Cc1cccnc1CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841757972 1125597596 /nfs/dbraw/zinc/59/75/96/1125597596.db2.gz QKZLIAUSORHJGI-GFCCVEGCSA-N 0 0 290.794 3.642 20 10 CHCDRN CC(C)C(C)(C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000219274455 1125675606 /nfs/dbraw/zinc/67/56/06/1125675606.db2.gz BCLKBAUGKIMSFP-NSHDSACASA-N 0 0 253.361 3.864 20 10 CHCDRN COc1ccccc1[C@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886491743 1125680319 /nfs/dbraw/zinc/68/03/19/1125680319.db2.gz OPANHAUOGGXUJG-NWDGAFQWSA-N 0 0 289.350 3.952 20 10 CHCDRN Cc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)s1 ZINC000886505217 1125681476 /nfs/dbraw/zinc/68/14/76/1125681476.db2.gz QJECUMQPOQRSBG-SNVBAGLBSA-N 0 0 265.353 3.752 20 10 CHCDRN Cc1noc(C)c1[C@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886526543 1125684348 /nfs/dbraw/zinc/68/43/48/1125684348.db2.gz NQMPQDODLARULH-DTWKUNHWSA-N 0 0 278.327 3.548 20 10 CHCDRN COc1cc(C)ccc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886539292 1125687037 /nfs/dbraw/zinc/68/70/37/1125687037.db2.gz XNTGSGBHKVHVFA-GFCCVEGCSA-N 0 0 289.350 3.699 20 10 CHCDRN Cc1noc(C)c1[C@H](C)C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886554859 1125689961 /nfs/dbraw/zinc/68/99/61/1125689961.db2.gz FBPIZHBJABQGCU-ZJUUUORDSA-N 0 0 292.354 3.590 20 10 CHCDRN Cc1noc(C)c1[C@H](C)C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886554856 1125690093 /nfs/dbraw/zinc/69/00/93/1125690093.db2.gz FBPIZHBJABQGCU-NXEZZACHSA-N 0 0 292.354 3.590 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1c([O-])cccc1F ZINC000886605768 1125696402 /nfs/dbraw/zinc/69/64/02/1125696402.db2.gz YDPADUFDGCQDGM-ZJUUUORDSA-N 0 0 273.298 3.617 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1CCOC2(CCC2)C1)c1c([O-])cccc1F ZINC000886619001 1125699424 /nfs/dbraw/zinc/69/94/24/1125699424.db2.gz QGUFZULEAZETFH-CHWSQXEVSA-N 0 0 293.382 3.531 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCc2ccc(O)cc21)c1c([O-])cccc1F ZINC000886638683 1125700320 /nfs/dbraw/zinc/70/03/20/1125700320.db2.gz ZPUMHDVHMQSFBF-ZUZCIYMTSA-N 0 0 287.334 3.575 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)C(C1CCC1)C1CCC1 ZINC000285567794 1125714005 /nfs/dbraw/zinc/71/40/05/1125714005.db2.gz GKPFGPQAWQMNBV-UHFFFAOYSA-N 0 0 287.403 3.567 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1c([O-])cccc1F ZINC000886732587 1125714200 /nfs/dbraw/zinc/71/42/00/1125714200.db2.gz KQMMFUDFFKNFGQ-STQMWFEESA-N 0 0 293.382 3.531 20 10 CHCDRN O=C(OCc1cccc(C(F)F)c1)C1=CC(=O)CS1 ZINC000795503793 1129341793 /nfs/dbraw/zinc/34/17/93/1129341793.db2.gz DQDKBDXIKGGIAV-UHFFFAOYSA-N 0 0 284.283 3.748 20 10 CHCDRN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c1O ZINC000252854566 1129598628 /nfs/dbraw/zinc/59/86/28/1129598628.db2.gz KUUJYUUAPIHUAC-GHMZBOCLSA-N 0 0 283.799 3.532 20 10 CHCDRN COc1cccc(O)c1CNc1ccc(Cl)cc1 ZINC000770411333 1129946269 /nfs/dbraw/zinc/94/62/69/1129946269.db2.gz LTIVIWWMWAQIOI-UHFFFAOYSA-N 0 0 263.724 3.666 20 10 CHCDRN CN(Cc1sccc1Cl)c1ccc2c(c1)OCO2 ZINC000787270217 1130143918 /nfs/dbraw/zinc/14/39/18/1130143918.db2.gz HIEHPJSNQFZCKS-UHFFFAOYSA-N 0 0 281.764 3.767 20 10 CHCDRN Cc1cnc(F)cc1Nc1nc(-c2ccncc2)cs1 ZINC001212846860 1126727216 /nfs/dbraw/zinc/72/72/16/1126727216.db2.gz OBTPCFDXOKFFLX-UHFFFAOYSA-N 0 0 286.335 3.791 20 10 CHCDRN Cc1cccc(CNc2cccc3ccncc32)c1O ZINC000159736827 1126752427 /nfs/dbraw/zinc/75/24/27/1126752427.db2.gz FWMCVJFGOXDJEH-UHFFFAOYSA-N 0 0 264.328 3.861 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C=C(C1CC1)C1CC1 ZINC000268560511 1127019079 /nfs/dbraw/zinc/01/90/79/1127019079.db2.gz GZYYXFYAWYXFTJ-UHFFFAOYSA-N 0 0 299.414 3.877 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)CCSC)c1ccc(F)cc1[O-] ZINC000796770619 1130930810 /nfs/dbraw/zinc/93/08/10/1130930810.db2.gz DWMPDHNVEDXTAI-GXFFZTMASA-N 0 0 271.401 3.714 20 10 CHCDRN CCc1ccc(C[N@H+](C)CCc2cccs2)c(O)c1 ZINC001236794374 1131009145 /nfs/dbraw/zinc/00/91/45/1131009145.db2.gz LKKFPSGUDNIHBF-UHFFFAOYSA-N 0 0 275.417 3.691 20 10 CHCDRN CCc1ccc(C[N@@H+]2CCC3(CCCC3)C2)c(O)c1 ZINC001236794876 1131007932 /nfs/dbraw/zinc/00/79/32/1131007932.db2.gz QOQYELUJHHJSQB-UHFFFAOYSA-N 0 0 259.393 3.721 20 10 CHCDRN Nc1ccc(NC(=O)C2(CCc3ccccc3)CC2)cc1 ZINC000911660934 1127085365 /nfs/dbraw/zinc/08/53/65/1127085365.db2.gz PKYWQGDGVYLJRP-UHFFFAOYSA-N 0 0 280.371 3.620 20 10 CHCDRN CCCC(=CC(=O)N(C)Cc1ccccc1O)CCC ZINC000271512559 1127087254 /nfs/dbraw/zinc/08/72/54/1127087254.db2.gz JBLOYXSXTHAEHH-UHFFFAOYSA-N 0 0 275.392 3.877 20 10 CHCDRN CN(C)c1ccc(CNc2nc3c(cccc3F)o2)cc1 ZINC000784045737 1127090928 /nfs/dbraw/zinc/09/09/28/1127090928.db2.gz VHPPJYXVGFZIAD-UHFFFAOYSA-N 0 0 285.322 3.645 20 10 CHCDRN CCCC(CCC)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000156440952 1127156181 /nfs/dbraw/zinc/15/61/81/1127156181.db2.gz CVMBUGUSMLBJQN-GFCCVEGCSA-N 0 0 293.407 3.794 20 10 CHCDRN Cc1cc(Cl)cc(CN2CCCC(F)(F)C2)c1O ZINC001237681275 1131126299 /nfs/dbraw/zinc/12/62/99/1131126299.db2.gz MLFIPSBVRKPQSL-UHFFFAOYSA-N 0 0 275.726 3.585 20 10 CHCDRN O=[N+]([O-])c1ccc(NCc2cccc(Cl)c2O)c(F)c1 ZINC000165034751 1127210015 /nfs/dbraw/zinc/21/00/15/1127210015.db2.gz XYYHEVGFQONIBC-UHFFFAOYSA-N 0 0 296.685 3.705 20 10 CHCDRN Oc1c(Cl)c(Cl)ccc1Nc1ccncc1Cl ZINC001212159992 1127228948 /nfs/dbraw/zinc/22/89/48/1127228948.db2.gz HKGCIJKZFXYTNG-UHFFFAOYSA-N 0 0 289.549 3.913 20 10 CHCDRN CC[C@H]([NH2+]Cc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000285726254 1127241775 /nfs/dbraw/zinc/24/17/75/1127241775.db2.gz QJXXALWMJLBLDL-HNNXBMFYSA-N 0 0 277.314 3.911 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000286166526 1127261953 /nfs/dbraw/zinc/26/19/53/1127261953.db2.gz PQEXDFHJZTXYSB-JSGCOSHPSA-N 0 0 281.371 3.530 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccc(F)c(F)c1[O-] ZINC000287065805 1127285761 /nfs/dbraw/zinc/28/57/61/1127285761.db2.gz NUVQMRVHNMOUCU-KWQFWETISA-N 0 0 255.308 3.510 20 10 CHCDRN COc1ccc(N(CCC(C)C)C[C@H]2CCO[C@@H]2C)cc1 ZINC001307740832 1127294702 /nfs/dbraw/zinc/29/47/02/1127294702.db2.gz VDDVSJIRRSNZPU-HZPDHXFCSA-N 0 0 291.435 3.973 20 10 CHCDRN COc1ccc(N(CCC(C)C)C[C@@H]2CCO[C@@H]2C)cc1 ZINC001307740830 1127292129 /nfs/dbraw/zinc/29/21/29/1127292129.db2.gz VDDVSJIRRSNZPU-CVEARBPZSA-N 0 0 291.435 3.973 20 10 CHCDRN C[C@H](N[C@@H](C1CC1)C(F)(F)F)c1ccc(F)cc1O ZINC000287443392 1127305489 /nfs/dbraw/zinc/30/54/89/1127305489.db2.gz UPGAGURPDHJXJY-MADCSZMMSA-N 0 0 277.261 3.523 20 10 CHCDRN O=C(NCCCSc1nccs1)Nc1ccsc1 ZINC000157389241 1127308826 /nfs/dbraw/zinc/30/88/26/1127308826.db2.gz XCKMWFINJJESSN-UHFFFAOYSA-N 0 0 299.446 3.509 20 10 CHCDRN CC[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc(Cl)c1[O-] ZINC000287529736 1127309859 /nfs/dbraw/zinc/30/98/59/1127309859.db2.gz DOZHRCPJWNZXOX-LALPHHSUSA-N 0 0 297.826 3.637 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)c1cn[nH]c1)c1cccc(Cl)c1[O-] ZINC000287628741 1127310842 /nfs/dbraw/zinc/31/08/42/1127310842.db2.gz KFQPSDBZAMXZLX-NOZJJQNGSA-N 0 0 279.771 3.571 20 10 CHCDRN CC[C@@H]([NH2+]CCc1nccs1)c1cccc(Cl)c1[O-] ZINC000287686025 1127312066 /nfs/dbraw/zinc/31/20/66/1127312066.db2.gz MYFHGBVOIIOYEE-GFCCVEGCSA-N 0 0 296.823 3.786 20 10 CHCDRN CC[C@H](Nc1cnn(CC)c1)c1cccc(Cl)c1O ZINC000287733616 1127313053 /nfs/dbraw/zinc/31/30/53/1127313053.db2.gz PHQATGLDZXGXCE-ZDUSSCGKSA-N 0 0 279.771 3.825 20 10 CHCDRN COc1ccc(Cl)c(NCc2cc(F)ccc2O)c1 ZINC000226581757 1127411915 /nfs/dbraw/zinc/41/19/15/1127411915.db2.gz NVFSKVAMZGYENN-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN CC(C)C1([NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000293629853 1127510064 /nfs/dbraw/zinc/51/00/64/1127510064.db2.gz GJCFWCBQESYKNF-SECBINFHSA-N 0 0 255.308 3.510 20 10 CHCDRN C[C@H](c1ccncc1)[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293711171 1127514250 /nfs/dbraw/zinc/51/42/50/1127514250.db2.gz UTHMNVBWSPYSBN-SNVBAGLBSA-N 0 0 294.757 3.773 20 10 CHCDRN CCn1nc(C)c(NCc2cc(Cl)c(F)cc2O)c1C ZINC000293701042 1127513765 /nfs/dbraw/zinc/51/37/65/1127513765.db2.gz TTWLOKDHLAYRHU-UHFFFAOYSA-N 0 0 297.761 3.630 20 10 CHCDRN COc1ccc(N(C)C[C@H]2C[C@H]2c2ccccc2)cc1OC ZINC000761222117 1127548657 /nfs/dbraw/zinc/54/86/57/1127548657.db2.gz QOLAMITVMRFULI-WBVHZDCISA-N 0 0 297.398 3.944 20 10 CHCDRN CCC(CC)[C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000761229319 1127553297 /nfs/dbraw/zinc/55/32/97/1127553297.db2.gz JEYOMRNWEVUEDZ-CQSZACIVSA-N 0 0 290.451 3.783 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SCc1ccncc1 ZINC000060710279 1127564692 /nfs/dbraw/zinc/56/46/92/1127564692.db2.gz PVWBEWWWRMASET-UHFFFAOYSA-N 0 0 281.384 3.774 20 10 CHCDRN CCC[C@H]1CCC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000294987781 1127612568 /nfs/dbraw/zinc/61/25/68/1127612568.db2.gz YRQQJQAWCDKYOJ-DZGCQCFKSA-N 0 0 275.392 3.567 20 10 CHCDRN COc1cc(N[C@H]2CCc3cccc(O)c32)cc(OC)c1C ZINC000296238588 1127666025 /nfs/dbraw/zinc/66/60/25/1127666025.db2.gz ARYKBEUGZQIQGK-AWEZNQCLSA-N 0 0 299.370 3.817 20 10 CHCDRN CCc1ccc([C@@H](C)CC(=O)NCc2ccc(N)cc2)cc1 ZINC000297237999 1127691623 /nfs/dbraw/zinc/69/16/23/1127691623.db2.gz POLIDBWBCSUSAL-AWEZNQCLSA-N 0 0 296.414 3.641 20 10 CHCDRN Cc1ncc(/C=C/C(=O)N2CC3(CC3)c3ccccc32)s1 ZINC000172430034 1127762357 /nfs/dbraw/zinc/76/23/57/1127762357.db2.gz SIXQPTAEHHCMAT-VOTSOKGWSA-N 0 0 296.395 3.543 20 10 CHCDRN CCC(CC)[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])N(C)C ZINC000062745411 1127773106 /nfs/dbraw/zinc/77/31/06/1127773106.db2.gz LKEZYHLUGSIEKX-LRDDRELGSA-N 0 0 296.430 3.548 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)C2CCC2)cc1 ZINC000172700111 1127778207 /nfs/dbraw/zinc/77/82/07/1127778207.db2.gz BAQDIZCCOYRPKP-UHFFFAOYSA-N 0 0 282.387 3.719 20 10 CHCDRN CCCCCC[C@H](C)C(=O)NCc1cc(OC)ccc1O ZINC000173580940 1127840438 /nfs/dbraw/zinc/84/04/38/1127840438.db2.gz YJWYAHZVKSITKB-ZDUSSCGKSA-N 0 0 293.407 3.624 20 10 CHCDRN CCC(CC)[C@@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000761402108 1127931350 /nfs/dbraw/zinc/93/13/50/1127931350.db2.gz HJVOXAAUDLURFA-GFCCVEGCSA-N 0 0 294.414 3.580 20 10 CHCDRN CCC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)C(C)C ZINC000152374814 1128118946 /nfs/dbraw/zinc/11/89/46/1128118946.db2.gz VYNUYPJWPWEJQR-OCCSQVGLSA-N 0 0 293.407 3.650 20 10 CHCDRN CCCCCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000914438213 1128188579 /nfs/dbraw/zinc/18/85/79/1128188579.db2.gz OGRCZUBCHQUHGM-UHFFFAOYSA-N 0 0 288.435 3.824 20 10 CHCDRN CC(=O)c1cc(O)c(O)cc1OC1C[C@@H](C)C[C@H](C)C1 ZINC001234474248 1128194608 /nfs/dbraw/zinc/19/46/08/1128194608.db2.gz PTTZAUIQICUUAC-UWVGGRQHSA-N 0 0 278.348 3.504 20 10 CHCDRN CCC[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000914484668 1128195034 /nfs/dbraw/zinc/19/50/34/1128195034.db2.gz LIJHOUFPDYSZEA-CQSZACIVSA-N 0 0 288.435 3.680 20 10 CHCDRN Cc1cc(C(=O)Nc2ccccc2)c(C)n1-c1ccccn1 ZINC000914846083 1128253333 /nfs/dbraw/zinc/25/33/33/1128253333.db2.gz VKIASDILICHLAH-UHFFFAOYSA-N 0 0 291.354 3.741 20 10 CHCDRN CC[C@@H](C)N(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000914528411 1128204200 /nfs/dbraw/zinc/20/42/00/1128204200.db2.gz XEBRETTVTVGCHP-CYBMUJFWSA-N 0 0 284.403 3.965 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCS[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000927029484 1128209379 /nfs/dbraw/zinc/20/93/79/1128209379.db2.gz PJVLWADXOLOQOL-SUHUHFCYSA-N 0 0 283.412 3.856 20 10 CHCDRN CC[C@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1ccccc1O ZINC000927129968 1128220728 /nfs/dbraw/zinc/22/07/28/1128220728.db2.gz QQJVZCFTRSJDMV-HOCLYGCPSA-N 0 0 289.419 3.925 20 10 CHCDRN CC[C@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1ccccc1O ZINC000927129969 1128220884 /nfs/dbraw/zinc/22/08/84/1128220884.db2.gz QQJVZCFTRSJDMV-ZBFHGGJFSA-N 0 0 289.419 3.925 20 10 CHCDRN Cc1c(C[N@@H+]2CC[C@](C)(F)[C@H](F)C2)c2ccccc2n1C ZINC001138252517 1128281836 /nfs/dbraw/zinc/28/18/36/1128281836.db2.gz JOOODJRMUHIUGG-SJORKVTESA-N 0 0 292.373 3.759 20 10 CHCDRN Cc1ccc(/C=C\C(=O)N2CCCc3cc(F)ccc32)cn1 ZINC000777848614 1128292079 /nfs/dbraw/zinc/29/20/79/1128292079.db2.gz BRXLEKHOJMFETA-TWGQIWQCSA-N 0 0 296.345 3.522 20 10 CHCDRN Cl/C=C/CN(C/C=C\Cl)c1ccc2c(c1)CCO2 ZINC000915261232 1128297728 /nfs/dbraw/zinc/29/77/28/1128297728.db2.gz GZYLFVKPKMQBGT-BHYIOOLYSA-N 0 0 284.186 3.933 20 10 CHCDRN O=C(C=C1CCCCC1)NCc1c(O)ccc2c1CCCC2 ZINC000762814464 1128318455 /nfs/dbraw/zinc/31/84/55/1128318455.db2.gz SZKJTKKNUIIGIA-UHFFFAOYSA-N 0 0 299.414 3.778 20 10 CHCDRN O=C(C1=CC(=O)CS1)N1CCCC[C@@H]1c1ccccc1 ZINC000762817674 1128319622 /nfs/dbraw/zinc/31/96/22/1128319622.db2.gz JCDUJFWORVPHQU-CQSZACIVSA-N 0 0 287.384 3.821 20 10 CHCDRN CCCCN(C(=O)c1cccc(O)c1O)C1CCCCC1 ZINC000819348159 1131243103 /nfs/dbraw/zinc/24/31/03/1131243103.db2.gz NIXUQDXJCPPLHW-UHFFFAOYSA-N 0 0 291.391 3.673 20 10 CHCDRN CCN(Cc1ccc2c(c1)COC2)c1ccc(OC)cc1 ZINC000778225757 1128452281 /nfs/dbraw/zinc/45/22/81/1128452281.db2.gz OEYQSQQZQCCUJB-UHFFFAOYSA-N 0 0 283.371 3.752 20 10 CHCDRN Cc1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000154258650 1128469142 /nfs/dbraw/zinc/46/91/42/1128469142.db2.gz SWYWQTLZWDWGMB-ZDUSSCGKSA-N 0 0 255.365 3.629 20 10 CHCDRN CCCCOCCSc1ncc(-c2ccccc2)n1C ZINC000917422073 1128499178 /nfs/dbraw/zinc/49/91/78/1128499178.db2.gz CWZLDUBRCDNQEA-UHFFFAOYSA-N 0 0 290.432 3.996 20 10 CHCDRN Clc1cnc(SCCCc2cccnc2)s1 ZINC000918096894 1128533294 /nfs/dbraw/zinc/53/32/94/1128533294.db2.gz ZKZMENAJGWSXST-UHFFFAOYSA-N 0 0 270.810 3.916 20 10 CHCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)[C@@H](C)C(C)(C)C)c1[O-] ZINC000042774010 1128584934 /nfs/dbraw/zinc/58/49/34/1128584934.db2.gz MXCNCHCRAOWKEP-NSHDSACASA-N 0 0 281.371 3.600 20 10 CHCDRN Cc1c(Cl)cccc1NCc1cc2c(cc1O)OCO2 ZINC000042879135 1128588303 /nfs/dbraw/zinc/58/83/03/1128588303.db2.gz CGPYTMUBZMEGLT-UHFFFAOYSA-N 0 0 291.734 3.695 20 10 CHCDRN CCC/C(C)=C\C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000920222027 1128673777 /nfs/dbraw/zinc/67/37/77/1128673777.db2.gz JVLLKQCUQYWEGS-SQFISAMPSA-N 0 0 288.435 3.895 20 10 CHCDRN Oc1ccc([C@H]2CCC[N@@H+]2Cc2cc(F)ccc2O)cc1 ZINC000779000023 1128676293 /nfs/dbraw/zinc/67/62/93/1128676293.db2.gz SNHPNFHMFVQACK-MRXNPFEDSA-N 0 0 287.334 3.574 20 10 CHCDRN CCC/C=C/C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000920448337 1128682207 /nfs/dbraw/zinc/68/22/07/1128682207.db2.gz ACRXSLZRBTUTAO-VOTSOKGWSA-N 0 0 286.419 3.600 20 10 CHCDRN C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)[C@@H]1c1ccccc1 ZINC000779034653 1128691686 /nfs/dbraw/zinc/69/16/86/1128691686.db2.gz ZEMIKUJOUFPOHF-PXAZEXFGSA-N 0 0 271.335 3.724 20 10 CHCDRN CC(C)c1ccc(N(C)C(=O)/C=C\c2cccnc2)cc1 ZINC000763747157 1117747590 /nfs/dbraw/zinc/74/75/90/1117747590.db2.gz YUQNNEQDJAKRKS-WDZFZDKYSA-N 0 0 280.371 3.881 20 10 CHCDRN COc1cccc(Cl)c1CN(C)Cc1ccccc1O ZINC000091956606 1117861728 /nfs/dbraw/zinc/86/17/28/1117861728.db2.gz NEFWVJYUICNQAR-UHFFFAOYSA-N 0 0 291.778 3.686 20 10 CHCDRN C[C@H]([NH2+][C@H](CCO)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000185828860 1117913939 /nfs/dbraw/zinc/91/39/39/1117913939.db2.gz OVALGMWJBABYKU-BLLLJJGKSA-N 0 0 295.398 3.513 20 10 CHCDRN CC(C)[N@H+](Cc1cccc(Br)c1[O-])C1CC1 ZINC000179485215 1128744235 /nfs/dbraw/zinc/74/42/35/1128744235.db2.gz KWASFGGNGDYLGA-UHFFFAOYSA-N 0 0 284.197 3.528 20 10 CHCDRN CCN(C(=O)/C=C\c1cnc(C)s1)c1cccc(F)c1 ZINC000254993072 1117939439 /nfs/dbraw/zinc/93/94/39/1117939439.db2.gz YHBXBPQMERJMAP-FPLPWBNLSA-N 0 0 290.363 3.657 20 10 CHCDRN CC(C)CCC[C@@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000049147312 1128745794 /nfs/dbraw/zinc/74/57/94/1128745794.db2.gz SEEYVBRWBQORTC-GFCCVEGCSA-N 0 0 263.385 3.605 20 10 CHCDRN C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])Oc1ccccc1 ZINC000186040801 1117974576 /nfs/dbraw/zinc/97/45/76/1117974576.db2.gz FTCDHGUPITYGAP-STQMWFEESA-N 0 0 289.350 3.649 20 10 CHCDRN CCCC1(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000471234297 1118006899 /nfs/dbraw/zinc/00/68/99/1118006899.db2.gz ACVBZENCVQRIPJ-UHFFFAOYSA-N 0 0 284.403 3.683 20 10 CHCDRN CC(C)c1nc(C[NH2+][C@H](C)c2ccccc2O)cs1 ZINC000705589383 1118013270 /nfs/dbraw/zinc/01/32/70/1118013270.db2.gz YSSXNJYTWSRRTJ-LLVKDONJSA-N 0 0 276.405 3.823 20 10 CHCDRN C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000042411682 1118032327 /nfs/dbraw/zinc/03/23/27/1118032327.db2.gz STCYPBVQMIHHNW-MFKMUULPSA-N 0 0 298.224 3.823 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)CCC=C2 ZINC000764606837 1118101471 /nfs/dbraw/zinc/10/14/71/1118101471.db2.gz AUWDHVDVWSOFIZ-UHFFFAOYSA-N 0 0 293.366 3.624 20 10 CHCDRN C/C=C(/C=C/C(=O)NCc1ccc(N2CCCC2)cc1)CC ZINC000764839330 1118120496 /nfs/dbraw/zinc/12/04/96/1118120496.db2.gz BDGFPFZLYLTOPO-YFRGIDGQSA-N 0 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QZOTXSVDZNBSGU-MRVPVSSYSA-N 0 0 279.771 3.569 20 10 CHCDRN Cc1ccc([C@H](C)Nc2ccc(CCO)cc2)c(O)c1C ZINC000273475546 1122235230 /nfs/dbraw/zinc/23/52/30/1122235230.db2.gz KUSJSLXRUULXGZ-AWEZNQCLSA-N 0 0 285.387 3.717 20 10 CHCDRN CC(C)Cn1cc(N[C@H](C)c2ccc(F)cc2O)cn1 ZINC000273510194 1122235975 /nfs/dbraw/zinc/23/59/75/1122235975.db2.gz RMGQKNUYRYYXDZ-LLVKDONJSA-N 0 0 277.343 3.557 20 10 CHCDRN Cc1cccc(C)c1C[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001184035536 1122252825 /nfs/dbraw/zinc/25/28/25/1122252825.db2.gz PBFMIQMTNQOOSP-UHFFFAOYSA-N 0 0 291.341 3.919 20 10 CHCDRN CCn1c2ccc(C)cc2nc1NCc1ccc(C)cc1O ZINC001184461963 1122278393 /nfs/dbraw/zinc/27/83/93/1122278393.db2.gz HGVUSMNORUQDPI-UHFFFAOYSA-N 0 0 295.386 3.991 20 10 CHCDRN C[C@@H](NC(=O)Nc1ccc(F)c(F)c1)c1ccccc1O ZINC001185111387 1122320537 /nfs/dbraw/zinc/32/05/37/1122320537.db2.gz YYRRUYBKANEHLX-SECBINFHSA-N 0 0 292.285 3.553 20 10 CHCDRN Cc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1Cl ZINC000774840923 1122326412 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/nfs/dbraw/zinc/59/98/95/1122599895.db2.gz XBBBFGMWKWAHHV-NSHDSACASA-N 0 0 288.322 3.722 20 10 CHCDRN CCN(Cc1c(F)cccc1F)c1ccc(OC)cc1 ZINC001191838403 1122618200 /nfs/dbraw/zinc/61/82/00/1122618200.db2.gz HUKALGAXCXMJRA-UHFFFAOYSA-N 0 0 277.314 4.000 20 10 CHCDRN CCN(C[C@H](OC)C1CCCC1)c1ccc(OC)cc1 ZINC001191837952 1122618763 /nfs/dbraw/zinc/61/87/63/1122618763.db2.gz HEFMZVXRHNXYHR-KRWDZBQOSA-N 0 0 277.408 3.727 20 10 CHCDRN CCCCOCC[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000775495795 1122624261 /nfs/dbraw/zinc/62/42/61/1122624261.db2.gz BYDBDCSEVZVMNX-CQSZACIVSA-N 0 0 285.815 3.903 20 10 CHCDRN COc1ccc2c(c1)CCCCN2CCOCC1CCC1 ZINC001192315791 1122638509 /nfs/dbraw/zinc/63/85/09/1122638509.db2.gz USJWDRCLRDKHHR-UHFFFAOYSA-N 0 0 289.419 3.655 20 10 CHCDRN CC[C@H](Nc1cnn(C)c1C1CC1)c1ccccc1O ZINC000775554795 1122660970 /nfs/dbraw/zinc/66/09/70/1122660970.db2.gz NYAZMJCCOLYTOJ-ZDUSSCGKSA-N 0 0 271.364 3.566 20 10 CHCDRN CC[C@H](Nc1cccc2c1OCO2)c1ccccc1O ZINC000775551991 1122661013 /nfs/dbraw/zinc/66/10/13/1122661013.db2.gz QCJGZVJAAMHKKC-LBPRGKRZSA-N 0 0 271.316 3.684 20 10 CHCDRN CCN(C)C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001193465406 1122691552 /nfs/dbraw/zinc/69/15/52/1122691552.db2.gz IRXSKQXIZXVSQL-UHFFFAOYSA-N 0 0 299.418 3.564 20 10 CHCDRN CCCCOC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001193693126 1122709295 /nfs/dbraw/zinc/70/92/95/1122709295.db2.gz IXUAOYVNBYHTIP-UHFFFAOYSA-N 0 0 278.396 3.511 20 10 CHCDRN CC(C)COC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001193849746 1122724855 /nfs/dbraw/zinc/72/48/55/1122724855.db2.gz FCNDKBGFZJUXLC-UHFFFAOYSA-N 0 0 290.407 3.559 20 10 CHCDRN CC(C)CCOC(=O)NCc1cc2ccccc2cc1O ZINC001194892609 1122824061 /nfs/dbraw/zinc/82/40/61/1122824061.db2.gz ZBJLXGSCYKHDQR-UHFFFAOYSA-N 0 0 287.359 3.818 20 10 CHCDRN Cc1cc([C@@H]2CCC[N@@H+]2Cc2cccc(Cl)c2[O-])on1 ZINC000775655146 1122866495 /nfs/dbraw/zinc/86/64/95/1122866495.db2.gz AJQCCCCFIVPETC-ZDUSSCGKSA-N 0 0 292.766 3.679 20 10 CHCDRN CN(C)c1ccc(CNc2ccc3c(c2)OC(C)(C)O3)cc1 ZINC000121403951 1122877820 /nfs/dbraw/zinc/87/78/20/1122877820.db2.gz MGKFOPAAFJUAFR-UHFFFAOYSA-N 0 0 298.386 3.872 20 10 CHCDRN CCOc1ccc(N(CC)Cc2cc(C)ns2)cc1 ZINC001167982639 1122902258 /nfs/dbraw/zinc/90/22/58/1122902258.db2.gz FQOWTYOHHNRHGJ-UHFFFAOYSA-N 0 0 276.405 3.877 20 10 CHCDRN C[C@H]1SCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H]1C ZINC000775700994 1122912062 /nfs/dbraw/zinc/91/20/62/1122912062.db2.gz ABOJDZYLGHFVLE-RKDXNWHRSA-N 0 0 289.803 3.511 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000775723507 1122924948 /nfs/dbraw/zinc/92/49/48/1122924948.db2.gz HICQJELAMBRUPG-KGLIPLIRSA-N 0 0 297.851 3.906 20 10 CHCDRN Cc1cccc(C[N@@H+]2CCc3c(F)cc(F)cc3C2)c1O ZINC000775734077 1122926937 /nfs/dbraw/zinc/92/69/37/1122926937.db2.gz KJTPNZHKUQQDGL-UHFFFAOYSA-N 0 0 289.325 3.537 20 10 CHCDRN Nc1ccc(Cc2ccc(Nc3cnoc3)cc2)cc1 ZINC001203241585 1122937967 /nfs/dbraw/zinc/93/79/67/1122937967.db2.gz GITUTRPNRKFJBN-UHFFFAOYSA-N 0 0 265.316 3.591 20 10 CHCDRN Cc1nccc(CSc2ncc(C(C)(C)C)s2)n1 ZINC000794428656 1122947632 /nfs/dbraw/zinc/94/76/32/1122947632.db2.gz NBRZANTTWBUMTL-UHFFFAOYSA-N 0 0 279.434 3.831 20 10 CHCDRN O=C(NCc1c(O)cccc1F)Nc1ccc(Cl)cc1 ZINC001197901808 1122972133 /nfs/dbraw/zinc/97/21/33/1122972133.db2.gz ZLQUXDDTRPSVOK-UHFFFAOYSA-N 0 0 294.713 3.506 20 10 CHCDRN Cc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1F ZINC000775828520 1122983416 /nfs/dbraw/zinc/98/34/16/1122983416.db2.gz RXQCUAZIBOCHBL-UHFFFAOYSA-N 0 0 279.742 3.783 20 10 CHCDRN Cc1ccc(C(=O)NCc2ccccc2O)c(C)c1Cl ZINC001198237100 1122985160 /nfs/dbraw/zinc/98/51/60/1122985160.db2.gz MDFOUOLTQDVODH-UHFFFAOYSA-N 0 0 289.762 3.592 20 10 CHCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1=CCCCCC1 ZINC000775878896 1123000239 /nfs/dbraw/zinc/00/02/39/1123000239.db2.gz DPZBKGFTNDSHFB-UHFFFAOYSA-N 0 0 299.414 3.778 20 10 CHCDRN Cc1cc(O)c(C[NH2+][C@@H](C)CC(F)(F)F)cc1Cl ZINC000825530471 1123026803 /nfs/dbraw/zinc/02/68/03/1123026803.db2.gz NAUQCZVLYLCPTI-QMMMGPOBSA-N 0 0 281.705 3.785 20 10 CHCDRN COc1cccc(N[C@H](C)c2cc(F)ccc2O)c1F ZINC000690000451 1123029884 /nfs/dbraw/zinc/02/98/84/1123029884.db2.gz FKPJWFJVVAPRLA-SECBINFHSA-N 0 0 279.286 3.852 20 10 CHCDRN CCN(CC)c1ccc(CN2CCCC(F)(F)C2)cc1 ZINC001203936152 1123032114 /nfs/dbraw/zinc/03/21/14/1123032114.db2.gz JOWLWVWADCBVOL-UHFFFAOYSA-N 0 0 282.378 3.764 20 10 CHCDRN Oc1ccc(F)cc1C[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000776013962 1123035544 /nfs/dbraw/zinc/03/55/44/1123035544.db2.gz PECQGGPJIHTYBT-UHFFFAOYSA-N 0 0 283.346 3.579 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000776175033 1123102315 /nfs/dbraw/zinc/10/23/15/1123102315.db2.gz TVURTSJVBODSHC-HUUCEWRRSA-N 0 0 287.790 3.939 20 10 CHCDRN O=[N+]([O-])c1ccc(Sc2nccs2)c2ccncc21 ZINC000048894114 1123105970 /nfs/dbraw/zinc/10/59/70/1123105970.db2.gz IQVDXKBFFIRNLU-UHFFFAOYSA-N 0 0 289.341 3.751 20 10 CHCDRN COC(=O)c1ccc(N)c(Nc2ccc(NC(C)C)cc2)c1 ZINC001201497627 1123111149 /nfs/dbraw/zinc/11/11/49/1123111149.db2.gz IDOHHRBAWSGWAW-UHFFFAOYSA-N 0 0 299.374 3.619 20 10 CHCDRN CCOc1ncccc1NCc1cc(Cl)cc(F)c1O ZINC000776252190 1123179657 /nfs/dbraw/zinc/17/96/57/1123179657.db2.gz PGBKCCBRYJVWGB-UHFFFAOYSA-N 0 0 296.729 3.591 20 10 CHCDRN Cc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001202437042 1123208534 /nfs/dbraw/zinc/20/85/34/1123208534.db2.gz ZULKNRWEGPSQAO-LBPRGKRZSA-N 0 0 270.332 3.583 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CC[C@@H](C)C2)cc1 ZINC000776308131 1123212927 /nfs/dbraw/zinc/21/29/27/1123212927.db2.gz HGYKTYQJRZKSLW-ZBFHGGJFSA-N 0 0 288.435 3.585 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[C@H](C)C2)cc1 ZINC000776308128 1123212963 /nfs/dbraw/zinc/21/29/63/1123212963.db2.gz HGYKTYQJRZKSLW-GOEBONIOSA-N 0 0 288.435 3.585 20 10 CHCDRN Clc1cnc(SCc2nnc(C3CC3)s2)s1 ZINC000850001886 1123236875 /nfs/dbraw/zinc/23/68/75/1123236875.db2.gz NXEYKZKFSGTVRC-UHFFFAOYSA-N 0 0 289.838 3.818 20 10 CHCDRN C[C@@H]([NH2+]Cc1cc(F)ccc1F)c1ccc(F)cc1[O-] ZINC000107929253 1123229771 /nfs/dbraw/zinc/22/97/71/1123229771.db2.gz OMKCPAGQPJCNHW-SECBINFHSA-N 0 0 281.277 3.660 20 10 CHCDRN COCCSCCCSc1ncc(Cl)s1 ZINC000850000453 1123236658 /nfs/dbraw/zinc/23/66/58/1123236658.db2.gz VRHJNIRNOSZTRW-UHFFFAOYSA-N 0 0 283.871 3.658 20 10 CHCDRN Clc1cnc(SCc2cnoc2C2CC2)s1 ZINC000850000534 1123236786 /nfs/dbraw/zinc/23/67/86/1123236786.db2.gz YIIITQIJSABBGX-UHFFFAOYSA-N 0 0 272.782 3.954 20 10 CHCDRN CO[C@H](CSc1ncc(Cl)s1)C1CCC1 ZINC000850001946 1123236841 /nfs/dbraw/zinc/23/68/41/1123236841.db2.gz PRLZGMJCFCZWRJ-MRVPVSSYSA-N 0 0 263.815 3.704 20 10 CHCDRN CCN(CC)c1ccc(CNc2ccn(CC)n2)cc1F ZINC000850363915 1123257198 /nfs/dbraw/zinc/25/71/98/1123257198.db2.gz QFJLNDJXVFEWAD-UHFFFAOYSA-N 0 0 290.386 3.500 20 10 CHCDRN CC[C@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])C1CC1 ZINC000850381392 1123261332 /nfs/dbraw/zinc/26/13/32/1123261332.db2.gz DEOUBMQZTNKNOH-ZDUSSCGKSA-N 0 0 298.224 3.741 20 10 CHCDRN C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1cc(F)cc(F)c1[O-] ZINC000850481245 1123273539 /nfs/dbraw/zinc/27/35/39/1123273539.db2.gz FFASGZRAJTZYRK-WDEREUQCSA-N 0 0 292.329 3.520 20 10 CHCDRN CC[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1cccc(Cl)c1[O-] ZINC000850483281 1123274492 /nfs/dbraw/zinc/27/44/92/1123274492.db2.gz VVOIDWFAXVDDEQ-GXFFZTMASA-N 0 0 283.799 3.654 20 10 CHCDRN CC[C@H](COCC1CC1)[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000850494984 1123275188 /nfs/dbraw/zinc/27/51/88/1123275188.db2.gz UTTOFTYDXRJESL-GDBMZVCRSA-N 0 0 295.398 3.777 20 10 CHCDRN CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000850493188 1123275446 /nfs/dbraw/zinc/27/54/46/1123275446.db2.gz HVHPDYZCTCFACA-GWCFXTLKSA-N 0 0 299.361 3.526 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1C=CCC1)c1cccc(Cl)c1[O-] ZINC000850507533 1123277120 /nfs/dbraw/zinc/27/71/20/1123277120.db2.gz JQZFGFGTJMASJP-MFKMUULPSA-N 0 0 251.757 3.805 20 10 CHCDRN C[C@H]([NH2+]CCC(C)(C)F)c1ccc(Cl)cc1[O-] ZINC000850532802 1123286072 /nfs/dbraw/zinc/28/60/72/1123286072.db2.gz XAXMMSZDKVNKGK-VIFPVBQESA-N 0 0 259.752 3.834 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000850541010 1123288269 /nfs/dbraw/zinc/28/82/69/1123288269.db2.gz UEOJXHCBLRHXDU-ZANVPECISA-N 0 0 253.773 3.885 20 10 CHCDRN CC[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc(F)cc1[O-] ZINC000850537596 1123288322 /nfs/dbraw/zinc/28/83/22/1123288322.db2.gz WEGUNKDZUSUGLR-YPMHNXCESA-N 0 0 273.298 3.617 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])C1CC1 ZINC000850541008 1123288378 /nfs/dbraw/zinc/28/83/78/1123288378.db2.gz UEOJXHCBLRHXDU-RNCFNFMXSA-N 0 0 253.773 3.885 20 10 CHCDRN CCCN1CC[C@@H]([NH2+][C@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000850553827 1123290742 /nfs/dbraw/zinc/29/07/42/1123290742.db2.gz DHKLXZDYZXRNJG-IUODEOHRSA-N 0 0 296.842 3.571 20 10 CHCDRN C[C@@H](NCC(F)(F)c1ccc(F)cc1)c1ccccc1O ZINC000850562440 1123292876 /nfs/dbraw/zinc/29/28/76/1123292876.db2.gz UPMWBFSGZXEUNI-LLVKDONJSA-N 0 0 295.304 3.974 20 10 CHCDRN CC[C@H]([NH2+]CCCc1ccco1)c1ccc(F)cc1[O-] ZINC000850569486 1123293955 /nfs/dbraw/zinc/29/39/55/1123293955.db2.gz GBLALNIDOJXMGH-HNNXBMFYSA-N 0 0 277.339 3.798 20 10 CHCDRN CCC[C@H](C)CC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000109767915 1123325256 /nfs/dbraw/zinc/32/52/56/1123325256.db2.gz DXJTWCADFGNRLJ-HNNXBMFYSA-N 0 0 290.451 3.927 20 10 CHCDRN CC[C@H](CC(F)F)CN(C)c1ccc(OC)cc1OC ZINC000851864606 1123385390 /nfs/dbraw/zinc/38/53/90/1123385390.db2.gz FZIUJSWFYOBXPA-LLVKDONJSA-N 0 0 287.350 3.821 20 10 CHCDRN Nc1ccc(NC(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000852790228 1123415884 /nfs/dbraw/zinc/41/58/84/1123415884.db2.gz LSHNWZAPQAYUBM-CRAIPNDOSA-N 0 0 294.398 3.866 20 10 CHCDRN C[C@H]1COC2(CCC2)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000853542759 1123442779 /nfs/dbraw/zinc/44/27/79/1123442779.db2.gz UHUAVDYPRULLSW-AWEZNQCLSA-N 0 0 297.398 3.689 20 10 CHCDRN Cc1nc(C)c(C)c(Sc2ncc(Cl)s2)n1 ZINC000853964054 1123463993 /nfs/dbraw/zinc/46/39/93/1123463993.db2.gz GUTPBXRWIBHLSY-UHFFFAOYSA-N 0 0 271.798 3.663 20 10 CHCDRN Nc1ccc(Cc2noc(C3[C@H]4CCCCCC[C@H]34)n2)cc1 ZINC000854134376 1123470799 /nfs/dbraw/zinc/47/07/99/1123470799.db2.gz PVLWWPQBCOVRIY-GJZGRUSLSA-N 0 0 297.402 3.926 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000854374644 1123483742 /nfs/dbraw/zinc/48/37/42/1123483742.db2.gz WTPQNZUMMCMKMR-ZSHCYNCHSA-N 0 0 287.403 3.567 20 10 CHCDRN Cc1ncsc1/C=C\C(=O)N1CC(C)(C)c2ccccc21 ZINC000776866938 1123544230 /nfs/dbraw/zinc/54/42/30/1123544230.db2.gz RGMNKBBIUUIBLC-HJWRWDBZSA-N 0 0 298.411 3.789 20 10 CHCDRN C/C=C/C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000858535752 1123660664 /nfs/dbraw/zinc/66/06/64/1123660664.db2.gz BGBVBWWSTVILJJ-RTMURIBGSA-N 0 0 260.164 3.926 20 10 CHCDRN C[C@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1ccc(F)cc1[O-] ZINC000858536154 1123660931 /nfs/dbraw/zinc/66/09/31/1123660931.db2.gz FBZFINFYMLSAOF-OVZMXSCWSA-N 0 0 263.356 3.618 20 10 CHCDRN C[C@@H](NCc1cocn1)c1ccc(N2CCCCC2)cc1 ZINC000777038262 1123662154 /nfs/dbraw/zinc/66/21/54/1123662154.db2.gz YGHMRETXHXPUHY-CQSZACIVSA-N 0 0 285.391 3.516 20 10 CHCDRN CCCC[C@H](CC)CC(=O)N(C)Cc1ccccc1O ZINC000117412699 1123730860 /nfs/dbraw/zinc/73/08/60/1123730860.db2.gz FTMHUOWMRBTTHM-AWEZNQCLSA-N 0 0 277.408 3.957 20 10 CHCDRN CCN(C)c1ccc([C@H](C)Nc2ccc(OC)cn2)cc1 ZINC000777200432 1123781467 /nfs/dbraw/zinc/78/14/67/1123781467.db2.gz LUHJMAYEKOENCA-ZDUSSCGKSA-N 0 0 285.391 3.719 20 10 CHCDRN C/C(=C/C(=O)NCc1ccc2cccnc2c1O)C(C)(C)C ZINC000862025489 1123788577 /nfs/dbraw/zinc/78/85/77/1123788577.db2.gz WDTQHSYYQUMMNT-BENRWUELSA-N 0 0 298.386 3.549 20 10 CHCDRN O=C(CC1CCCCC1)NCc1ccc2cccnc2c1O ZINC000862028831 1123788897 /nfs/dbraw/zinc/78/88/97/1123788897.db2.gz LNPXDIHRTQNXKR-UHFFFAOYSA-N 0 0 298.386 3.527 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000896950282 1123791921 /nfs/dbraw/zinc/79/19/21/1123791921.db2.gz DQCPPDLKRZKGBO-GFCCVEGCSA-N 0 0 297.851 3.954 20 10 CHCDRN COc1ccc(N(C)Cc2ccnc(F)c2C)cc1Cl ZINC000862306117 1123799163 /nfs/dbraw/zinc/79/91/63/1123799163.db2.gz CWUXNJIHNWMSTL-UHFFFAOYSA-N 0 0 294.757 3.828 20 10 CHCDRN Cc1cccc(Sc2ncc([N+](=O)[O-])s2)c1 ZINC000195511303 1129146323 /nfs/dbraw/zinc/14/63/23/1129146323.db2.gz LVIWGSWPZCHZSX-UHFFFAOYSA-N 0 0 252.320 3.511 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)CC[C@H](C)c2ccccc2)c1 ZINC000862757882 1123827608 /nfs/dbraw/zinc/82/76/08/1123827608.db2.gz HPDYVOJPGPXESA-HNNXBMFYSA-N 0 0 297.398 3.901 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2CCC[C@@H](C)C2)c1 ZINC000862759265 1123827666 /nfs/dbraw/zinc/82/76/66/1123827666.db2.gz ZPKQWSPGZHCJIN-TZMCWYRMSA-N 0 0 275.392 3.533 20 10 CHCDRN CCC[C@H]1CCC[C@H]1C(=O)NCc1cc(C)ccc1O ZINC000862754758 1123827993 /nfs/dbraw/zinc/82/79/93/1123827993.db2.gz JBHHETZVNATWRG-DZGCQCFKSA-N 0 0 275.392 3.533 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)c1cccc(F)c1 ZINC001168060490 1123833236 /nfs/dbraw/zinc/83/32/36/1123833236.db2.gz SFJOKSMMSDBZIQ-UHFFFAOYSA-N 0 0 272.367 3.918 20 10 CHCDRN COc1ccc(C)cc1NCc1ccc(C)cc1O ZINC000083421971 1129150070 /nfs/dbraw/zinc/15/00/70/1129150070.db2.gz SSCUBQNDQVXZPW-UHFFFAOYSA-N 0 0 257.333 3.630 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cc(Cl)ccc1O ZINC000840860254 1123861627 /nfs/dbraw/zinc/86/16/27/1123861627.db2.gz RHFJDUAXUNLQJU-KKZNHRDASA-N 0 0 271.813 3.590 20 10 CHCDRN CCCN(C)c1ccccc1NC(=O)C1=CC(=O)CS1 ZINC000863572899 1123876378 /nfs/dbraw/zinc/87/63/78/1123876378.db2.gz HTEGPFJEMRKHQX-UHFFFAOYSA-N 0 0 290.388 3.552 20 10 CHCDRN CN(C)c1ccc(CNc2ccnc3ccsc32)cc1 ZINC000301378664 1123896090 /nfs/dbraw/zinc/89/60/90/1123896090.db2.gz XMPQYERRGNTBCN-UHFFFAOYSA-N 0 0 283.400 3.974 20 10 CHCDRN Cc1ccc(O)c(CNc2ccc3oc(CO)cc3c2)c1 ZINC000864040872 1123912879 /nfs/dbraw/zinc/91/28/79/1123912879.db2.gz HFCRJMXMCSIRSZ-UHFFFAOYSA-N 0 0 283.327 3.551 20 10 CHCDRN COc1ccc(NCc2ccc(N(C)C)cc2C)c(F)c1 ZINC000864042896 1123912928 /nfs/dbraw/zinc/91/29/28/1123912928.db2.gz ZIHFCWUDTJYWRJ-UHFFFAOYSA-N 0 0 288.366 3.821 20 10 CHCDRN CCc1nc2sccc2c(Sc2nccs2)n1 ZINC000301828899 1123936327 /nfs/dbraw/zinc/93/63/27/1123936327.db2.gz OQZQHGRGAYBYCI-UHFFFAOYSA-N 0 0 279.415 3.861 20 10 CHCDRN C[C@@H](Nc1ccnc(C2CC2)n1)c1ccc(N(C)C)cc1 ZINC000302452706 1123968461 /nfs/dbraw/zinc/96/84/61/1123968461.db2.gz TXWMOEBLIIVCMU-GFCCVEGCSA-N 0 0 282.391 3.593 20 10 CHCDRN CC/C(C)=C(/C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000779853695 1129156621 /nfs/dbraw/zinc/15/66/21/1129156621.db2.gz CJTPQSDHBZDMHF-PFONDFGASA-N 0 0 288.435 3.895 20 10 CHCDRN Cc1cc(O)c(CNc2cncc(C(F)F)c2)cc1C ZINC000865295714 1123970812 /nfs/dbraw/zinc/97/08/12/1123970812.db2.gz KUXNNWFROHHGNQ-UHFFFAOYSA-N 0 0 278.302 3.954 20 10 CHCDRN Cc1nccnc1CSc1ncc(C(C)(C)C)s1 ZINC000865359620 1123973934 /nfs/dbraw/zinc/97/39/34/1123973934.db2.gz RTPVLKQZLSHIFX-UHFFFAOYSA-N 0 0 279.434 3.831 20 10 CHCDRN CCN(CC)c1ccc(CNc2cc(C)c(C)nn2)cc1 ZINC000302781690 1123982702 /nfs/dbraw/zinc/98/27/02/1123982702.db2.gz JOZXOVZKQCOQST-UHFFFAOYSA-N 0 0 284.407 3.552 20 10 CHCDRN Cc1cnc(N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000302905926 1123989378 /nfs/dbraw/zinc/98/93/78/1123989378.db2.gz WKCODFOZFHGGBX-LLVKDONJSA-N 0 0 261.394 3.691 20 10 CHCDRN CN(C)c1ccc(CN(C)C(=O)CCCC(C)(C)C)cc1 ZINC000303235561 1123999798 /nfs/dbraw/zinc/99/97/98/1123999798.db2.gz XBYZEVJQRIQKSM-UHFFFAOYSA-N 0 0 290.451 3.927 20 10 CHCDRN CC(C)Cc1cc(N[C@@H](C)c2ccccc2O)ncn1 ZINC000866238086 1124040665 /nfs/dbraw/zinc/04/06/65/1124040665.db2.gz LVULPGKZQZLEPN-LBPRGKRZSA-N 0 0 271.364 3.554 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCCC12CC2)c1cc(F)cc(F)c1[O-] ZINC000866411693 1124064249 /nfs/dbraw/zinc/06/42/49/1124064249.db2.gz TZIORGXHOOJYHF-RNCFNFMXSA-N 0 0 267.319 3.654 20 10 CHCDRN C[C@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1ccc(F)cc1[O-] ZINC000866622556 1124091631 /nfs/dbraw/zinc/09/16/31/1124091631.db2.gz GVRUKCPRKPCPCP-BLLLJJGKSA-N 0 0 293.382 3.674 20 10 CHCDRN C[C@@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1ccc(F)cc1[O-] ZINC000866622558 1124091643 /nfs/dbraw/zinc/09/16/43/1124091643.db2.gz GVRUKCPRKPCPCP-MLGOLLRUSA-N 0 0 293.382 3.674 20 10 CHCDRN CC[C@H](C[C@H](C)O)[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000866634542 1124092146 /nfs/dbraw/zinc/09/21/46/1124092146.db2.gz SGQQZLNRZVOQGG-WDMOLILDSA-N 0 0 285.815 3.636 20 10 CHCDRN CC[C@H](Cc1ccccc1C)C(=O)NCc1ccccc1O ZINC000819399787 1131244209 /nfs/dbraw/zinc/24/42/09/1131244209.db2.gz XQTGONUOKLJIFT-OAHLLOKOSA-N 0 0 297.398 3.586 20 10 CHCDRN CC[C@@H](Cc1ccccc1C)C(=O)NCc1ccccc1O ZINC000819399786 1131244569 /nfs/dbraw/zinc/24/45/69/1131244569.db2.gz XQTGONUOKLJIFT-HNNXBMFYSA-N 0 0 297.398 3.586 20 10 CHCDRN O=C([C@@H]1CCC[C@@H]2CCCC[C@@H]12)N1Cc2cccc(O)c2C1 ZINC000871204738 1124602312 /nfs/dbraw/zinc/60/23/12/1124602312.db2.gz JHCUJULGEQVINR-NUEKZKHPSA-N 0 0 299.414 3.841 20 10 CHCDRN O=C([C@@H]1CCC[C@H]2CCCC[C@H]21)N1Cc2cccc(O)c2C1 ZINC000871204737 1124602507 /nfs/dbraw/zinc/60/25/07/1124602507.db2.gz JHCUJULGEQVINR-FVQBIDKESA-N 0 0 299.414 3.841 20 10 CHCDRN CC1(CC(=O)N2Cc3cccc(O)c3C2)CCCCC1 ZINC000871203009 1124602919 /nfs/dbraw/zinc/60/29/19/1124602919.db2.gz JSEKQWQHLNTJAM-UHFFFAOYSA-N 0 0 273.376 3.595 20 10 CHCDRN O=C(CC(C1CCC1)C1CCC1)N1Cc2cccc(O)c2C1 ZINC000871207067 1124604198 /nfs/dbraw/zinc/60/41/98/1124604198.db2.gz JEVQIEGPXXSYCP-UHFFFAOYSA-N 0 0 299.414 3.841 20 10 CHCDRN CCOC1CC(CNc2ccccc2NC(C)C)C1 ZINC000871845934 1124645241 /nfs/dbraw/zinc/64/52/41/1124645241.db2.gz NZCBGEHKXAJNHD-UHFFFAOYSA-N 0 0 262.397 3.734 20 10 CHCDRN Cc1cc(CNc2ccccc2NC(C)C)nc(C)n1 ZINC000871845420 1124645387 /nfs/dbraw/zinc/64/53/87/1124645387.db2.gz AASUIVOULYKBHW-UHFFFAOYSA-N 0 0 270.380 3.526 20 10 CHCDRN CCCOc1ccc(C[NH2+][C@@H](CC)CCC(=O)[O-])cc1C ZINC000871874853 1124650235 /nfs/dbraw/zinc/65/02/35/1124650235.db2.gz XXCODUZXBWGCGJ-HNNXBMFYSA-N 0 0 293.407 3.517 20 10 CHCDRN O=C(CSc1ncc(Cl)s1)OCc1ccccc1 ZINC000795198720 1124658950 /nfs/dbraw/zinc/65/89/50/1124658950.db2.gz PGHPTCUIAISLQI-UHFFFAOYSA-N 0 0 299.804 3.632 20 10 CHCDRN CCn1ncc(N[C@H](C)c2c(C)cc(C)cc2O)c1C ZINC000872139557 1124695978 /nfs/dbraw/zinc/69/59/78/1124695978.db2.gz LYVQBSYAPJHAOC-GFCCVEGCSA-N 0 0 273.380 3.707 20 10 CHCDRN CCCOc1ccc(CNCc2coc(CC)n2)cc1C ZINC000873129643 1124740103 /nfs/dbraw/zinc/74/01/03/1124740103.db2.gz OVOKIJDXVFKUIB-UHFFFAOYSA-N 0 0 288.391 3.624 20 10 CHCDRN CCn1ncc(NCc2ccc(N3CCCCC3)cc2)c1C ZINC000873196758 1124749510 /nfs/dbraw/zinc/74/95/10/1124749510.db2.gz XKQSDILUDDGKKU-UHFFFAOYSA-N 0 0 298.434 3.814 20 10 CHCDRN Nc1ccc(NC(=O)CCSc2ccccc2F)cc1 ZINC000019846248 1124753607 /nfs/dbraw/zinc/75/36/07/1124753607.db2.gz FBOWVMMNYVAMRO-UHFFFAOYSA-N 0 0 290.363 3.529 20 10 CHCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C1CCCC1 ZINC000124827145 1124820083 /nfs/dbraw/zinc/82/00/83/1124820083.db2.gz KWTAKEAVHAMMQN-SNVBAGLBSA-N 0 0 253.773 3.714 20 10 CHCDRN CC[C@@H](C)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000125325602 1124884108 /nfs/dbraw/zinc/88/41/08/1124884108.db2.gz YVYQWWPJSPEYFG-CYBMUJFWSA-N 0 0 287.359 3.560 20 10 CHCDRN CCc1nocc1CSc1ncc(-c2ccccc2)n1C ZINC000821069932 1131317963 /nfs/dbraw/zinc/31/79/63/1131317963.db2.gz USVHAUHOEAJZEK-UHFFFAOYSA-N 0 0 299.399 3.930 20 10 CHCDRN C[C@@H](CCNC(=O)Nc1ccc(N)cc1)CC(C)(C)C ZINC000841295594 1124943568 /nfs/dbraw/zinc/94/35/68/1124943568.db2.gz CEMDGALFSBUNBG-LBPRGKRZSA-N 0 0 277.412 3.853 20 10 CHCDRN CCC[C@H](C)[C@@H]1CCCN1C(=O)Nc1ccc(N)cc1 ZINC000841298919 1124948821 /nfs/dbraw/zinc/94/88/21/1124948821.db2.gz UJGJRUZFUNBSLR-WFASDCNBSA-N 0 0 275.396 3.701 20 10 CHCDRN [O-]c1c(C[NH2+][C@@H]2CCc3c2cccc3F)ccc(F)c1F ZINC000876973841 1124992712 /nfs/dbraw/zinc/99/27/12/1124992712.db2.gz QRCYQHUIIKVFOY-CQSZACIVSA-N 0 0 293.288 3.587 20 10 CHCDRN CN(C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1)c1ccc(N)cc1 ZINC000877074685 1125005575 /nfs/dbraw/zinc/00/55/75/1125005575.db2.gz PLCMITHMQLZAGP-HZPDHXFCSA-N 0 0 294.398 3.816 20 10 CHCDRN CCCCC[C@@H](C)CC(=O)N(C)c1ccc(N)cc1 ZINC000877078697 1125006450 /nfs/dbraw/zinc/00/64/50/1125006450.db2.gz ZTJACBKRWIFVKC-CYBMUJFWSA-N 0 0 262.397 3.838 20 10 CHCDRN CC(C)COc1ccccc1C(=O)N(C)c1ccc(N)cc1 ZINC000877078580 1125006665 /nfs/dbraw/zinc/00/66/65/1125006665.db2.gz VUFMYCRDTGCTHD-UHFFFAOYSA-N 0 0 298.386 3.580 20 10 CHCDRN Cc1ccccc1[C@H](C)CC(=O)N(C)c1ccc(N)cc1 ZINC000877078605 1125007112 /nfs/dbraw/zinc/00/71/12/1125007112.db2.gz WNEHARABFPGABW-CQSZACIVSA-N 0 0 282.387 3.734 20 10 CHCDRN Cc1ccc(CCCCC(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877078692 1125007480 /nfs/dbraw/zinc/00/74/80/1125007480.db2.gz ZPVKAANGMHVCJX-UHFFFAOYSA-N 0 0 296.414 3.953 20 10 CHCDRN CC[C@@H](c1ccncc1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877530014 1125039901 /nfs/dbraw/zinc/03/99/01/1125039901.db2.gz BQPBPIZGRYPWEA-AWEZNQCLSA-N 0 0 292.329 3.649 20 10 CHCDRN CCCn1ncc(NCc2ccc(C)cc2O)c1C1CC1 ZINC000877561203 1125045287 /nfs/dbraw/zinc/04/52/87/1125045287.db2.gz JAEILJSKYBWCRP-UHFFFAOYSA-N 0 0 285.391 3.797 20 10 CHCDRN Cc1cc(OCC(=O)Nc2ccc(N)cc2)ccc1C(C)C ZINC000022224004 1125061724 /nfs/dbraw/zinc/06/17/24/1125061724.db2.gz UKLIUBOMZMCZOT-UHFFFAOYSA-N 0 0 298.386 3.718 20 10 CHCDRN Oc1cccc2c1CN(Cc1cccc(OC3CC3)c1F)C2 ZINC000877702596 1125065263 /nfs/dbraw/zinc/06/52/63/1125065263.db2.gz CWEWRIDELGVSRU-UHFFFAOYSA-N 0 0 299.345 3.588 20 10 CHCDRN CSc1ccc(CN2Cc3cccc(O)c3C2)s1 ZINC000877703273 1125065716 /nfs/dbraw/zinc/06/57/16/1125065716.db2.gz ZHEJRKBKFVRGAW-UHFFFAOYSA-N 0 0 277.414 3.691 20 10 CHCDRN CC[C@H]1CCC[C@]1(C)C(=O)N(C)Cc1ccccc1O ZINC000878276475 1125136781 /nfs/dbraw/zinc/13/67/81/1125136781.db2.gz BHAGLGZXWWFVGB-YOEHRIQHSA-N 0 0 275.392 3.567 20 10 CHCDRN CC[C@H]1CCC[C@@]1(C)C(=O)N(C)Cc1ccccc1O ZINC000878276474 1125137421 /nfs/dbraw/zinc/13/74/21/1125137421.db2.gz BHAGLGZXWWFVGB-WMLDXEAASA-N 0 0 275.392 3.567 20 10 CHCDRN COc1ccc(N(Cc2coc(C3CC3)n2)CC2CC2)cc1 ZINC000878674711 1125171957 /nfs/dbraw/zinc/17/19/57/1125171957.db2.gz FIKPOWDAHBDGLR-UHFFFAOYSA-N 0 0 298.386 3.977 20 10 CHCDRN CCC(C)(C)c1nnc(NCc2cc(Cl)ccc2O)o1 ZINC000882527629 1125347831 /nfs/dbraw/zinc/34/78/31/1125347831.db2.gz GLSIEWMTAKEMMZ-UHFFFAOYSA-N 0 0 295.770 3.728 20 10 CHCDRN CC(C)(C)c1ccnc(N2Cc3cccc(O)c3C2)c1 ZINC000882690578 1125351792 /nfs/dbraw/zinc/35/17/92/1125351792.db2.gz SPNPHEZISFRIEX-UHFFFAOYSA-N 0 0 268.360 3.605 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000882935235 1125362681 /nfs/dbraw/zinc/36/26/81/1125362681.db2.gz JYWRCRADULQJHZ-HNNXBMFYSA-N 0 0 293.288 3.587 20 10 CHCDRN Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])CC2 ZINC000882988206 1125365908 /nfs/dbraw/zinc/36/59/08/1125365908.db2.gz GCNVRGKJWDPUFU-MRXNPFEDSA-N 0 0 289.325 3.756 20 10 CHCDRN Nc1ccc(Cc2ccc(Nc3cccc(=O)[nH]3)cc2)cc1 ZINC001212792093 1125372695 /nfs/dbraw/zinc/37/26/95/1125372695.db2.gz ALEBNRCCUZQSDU-UHFFFAOYSA-N 0 0 291.354 3.704 20 10 CHCDRN CCC(=O)N(C)c1ccc(NCc2cc(C)ccc2O)cc1 ZINC000883310688 1125393055 /nfs/dbraw/zinc/39/30/55/1125393055.db2.gz XGPRQXXYKQFERP-UHFFFAOYSA-N 0 0 298.386 3.686 20 10 CHCDRN Cc1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c(Cl)n1 ZINC000883301870 1125393081 /nfs/dbraw/zinc/39/30/81/1125393081.db2.gz KMBZRIYMPHHMHK-SNVBAGLBSA-N 0 0 294.757 3.739 20 10 CHCDRN CN(C)c1ccc(CN(C)C(=O)CC2=CCCCC2)cc1 ZINC000106733185 1125444912 /nfs/dbraw/zinc/44/49/12/1125444912.db2.gz DUZNWTLZDNXIIT-UHFFFAOYSA-N 0 0 286.419 3.602 20 10 CHCDRN COc1ccc(N[C@H]2CCc3cccc(O)c32)cc1OC ZINC000296822823 1129223358 /nfs/dbraw/zinc/22/33/58/1129223358.db2.gz MEKSXVOVEVWODW-ZDUSSCGKSA-N 0 0 285.343 3.509 20 10 CHCDRN Cc1cc2c(ncnc2Sc2nccs2)s1 ZINC000090072864 1129266156 /nfs/dbraw/zinc/26/61/56/1129266156.db2.gz BCFSNQULJAYRJR-UHFFFAOYSA-N 0 0 265.388 3.607 20 10 CHCDRN C/C=C/C=C\C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000733805399 1129270870 /nfs/dbraw/zinc/27/08/70/1129270870.db2.gz SWNLUROMLUAGIU-KXIWCOCFSA-N 0 0 298.430 3.768 20 10 CHCDRN COc1ccc(O)c([C@H](C)Nc2cc(C)nc(C3CC3)n2)c1 ZINC000734834780 1129324596 /nfs/dbraw/zinc/32/45/96/1129324596.db2.gz IKHACNOAFJLOJC-NSHDSACASA-N 0 0 299.374 3.550 20 10 CHCDRN CCOc1cccc(C[N@@H+]2CCC[C@H]2C2CCC2)c1O ZINC000092780979 1129407794 /nfs/dbraw/zinc/40/77/94/1129407794.db2.gz BXOMGDPRVFVJSN-HNNXBMFYSA-N 0 0 275.392 3.555 20 10 CHCDRN CCOc1ccc(N(C)CCOc2cccc(F)c2)cc1 ZINC000739922156 1129409536 /nfs/dbraw/zinc/40/95/36/1129409536.db2.gz AGZYZLYHCJFLMD-UHFFFAOYSA-N 0 0 289.350 3.740 20 10 CHCDRN CCCC[C@@H](C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC001125166466 1131373489 /nfs/dbraw/zinc/37/34/89/1131373489.db2.gz JKIJQDLXNBRJJD-OAHLLOKOSA-N 0 0 290.451 3.975 20 10 CHCDRN Cc1cc(O)c(CNc2ncccc2Cl)cc1C ZINC000795805445 1129449811 /nfs/dbraw/zinc/44/98/11/1129449811.db2.gz GEAJMVCXNCRWLD-UHFFFAOYSA-N 0 0 262.740 3.670 20 10 CHCDRN CSCCCSc1ncc(-c2ccccc2)n1C ZINC000741737840 1129449950 /nfs/dbraw/zinc/44/99/50/1129449950.db2.gz YXKOZVYLFJVKAK-UHFFFAOYSA-N 0 0 278.446 3.932 20 10 CHCDRN CCc1cnc(CSc2ncc(-c3ccccc3)n2C)o1 ZINC000742449961 1129478636 /nfs/dbraw/zinc/47/86/36/1129478636.db2.gz RBIOWDAODQLEGO-UHFFFAOYSA-N 0 0 299.399 3.930 20 10 CHCDRN C[N@H+](Cc1cc(Cl)ccc1[O-])C1(C)CCCC1 ZINC000720385795 1129525340 /nfs/dbraw/zinc/52/53/40/1129525340.db2.gz LFWLAUSWMXFUNT-UHFFFAOYSA-N 0 0 253.773 3.810 20 10 CHCDRN Cc1cc(NC(=O)C2=CC(=O)CS2)ccc1OC(C)C ZINC000743634390 1129532524 /nfs/dbraw/zinc/53/25/24/1129532524.db2.gz WGYMNBNZULSRSE-UHFFFAOYSA-N 0 0 291.372 3.802 20 10 CHCDRN Cc1cccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000743718419 1129535497 /nfs/dbraw/zinc/53/54/97/1129535497.db2.gz AOESQNPMXDUNKQ-UHFFFAOYSA-N 0 0 295.382 3.509 20 10 CHCDRN CCOc1ccc(N(C)CCc2ccc3c(c2)CCO3)cc1 ZINC000743850992 1129539708 /nfs/dbraw/zinc/53/97/08/1129539708.db2.gz FSSMWSSFVKVEHX-UHFFFAOYSA-N 0 0 297.398 3.699 20 10 CHCDRN CC[C@H]([NH2+]Cc1ncc(C)s1)c1ccc(F)cc1[O-] ZINC000796785536 1129584821 /nfs/dbraw/zinc/58/48/21/1129584821.db2.gz KHMRGNCQQRVLAM-LBPRGKRZSA-N 0 0 280.368 3.537 20 10 CHCDRN Cc1cc(COC(=O)C2=CC(=O)CS2)c2ccccc2n1 ZINC000745003176 1129591563 /nfs/dbraw/zinc/59/15/63/1129591563.db2.gz ZDDJSKFREKLGQI-UHFFFAOYSA-N 0 0 299.351 3.667 20 10 CHCDRN CC(C)O[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2[O-])C1(C)C ZINC000766331514 1129605186 /nfs/dbraw/zinc/60/51/86/1129605186.db2.gz SFRGKVSDGBQWGJ-HFBAOOFYSA-N 0 0 295.398 3.774 20 10 CHCDRN CCc1c2ccccc2oc1C(=O)NCc1ccccc1O ZINC001545681889 1129618006 /nfs/dbraw/zinc/61/80/06/1129618006.db2.gz HUAKWUPJDJJDKW-UHFFFAOYSA-N 0 0 295.338 3.631 20 10 CHCDRN C/C(=C\C1CCC(C)CC1)C(=O)NCc1ccccc1O 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ZINC001237798246 1131141205 /nfs/dbraw/zinc/14/12/05/1131141205.db2.gz CDIKBUYDCCTFTD-UWVGGRQHSA-N 0 0 271.763 3.663 20 10 CHCDRN CCCCC[N@H+](C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237948022 1131155554 /nfs/dbraw/zinc/15/55/54/1131155554.db2.gz YLBXDZGTUBXTAS-UHFFFAOYSA-N 0 0 259.752 3.807 20 10 CHCDRN CC[C@H]([NH2+]CCCC1(O)CCC1)c1cccc(Cl)c1[O-] ZINC000817586287 1131174113 /nfs/dbraw/zinc/17/41/13/1131174113.db2.gz NIUFWBRJCHBXMM-AWEZNQCLSA-N 0 0 297.826 3.782 20 10 CHCDRN C[C@H]([NH2+][C@H]1CC12CC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000818356949 1131211217 /nfs/dbraw/zinc/21/12/17/1131211217.db2.gz SYKGRMRBCYQLLD-XVKPBYJWSA-N 0 0 272.175 3.902 20 10 CHCDRN CC[C@@H]([NH2+][C@@H]1CC12CC2)c1cccc(Cl)c1[O-] ZINC000818356558 1131211475 /nfs/dbraw/zinc/21/14/75/1131211475.db2.gz OCKZZRZZJIKOSV-VXGBXAGGSA-N 0 0 251.757 3.639 20 10 CHCDRN CC1(C)CCC(CC(=O)NCCc2ccc(N)cc2)CC1 ZINC000818545344 1131216180 /nfs/dbraw/zinc/21/61/80/1131216180.db2.gz ZFXYDSDTENXKJM-UHFFFAOYSA-N 0 0 288.435 3.534 20 10 CHCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001137838905 1131421359 /nfs/dbraw/zinc/42/13/59/1131421359.db2.gz MFPBEUMDSZAVTL-CYBMUJFWSA-N 0 0 289.325 3.660 20 10 CHCDRN C[N@H+](Cc1cccc(Cl)c1)Cc1c([O-])cccc1F ZINC001137837851 1131421635 /nfs/dbraw/zinc/42/16/35/1131421635.db2.gz XEYCYTVVRTTWFP-UHFFFAOYSA-N 0 0 279.742 3.817 20 10 CHCDRN Cc1cc(CN2CCC(=O)[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC001137854373 1131423898 /nfs/dbraw/zinc/42/38/98/1131423898.db2.gz SUJLZNOFIUZJFM-AWEZNQCLSA-N 0 0 296.414 3.505 20 10 CHCDRN COc1ccc(N(C)Cc2csc(C)c2)cc1OC ZINC000824162176 1131456798 /nfs/dbraw/zinc/45/67/98/1131456798.db2.gz QTBQABSDULFAPN-UHFFFAOYSA-N 0 0 277.389 3.710 20 10 CHCDRN C[N@H+](Cc1ccccc1O)Cc1ccc(O)c2ccccc12 ZINC001138062312 1131460460 /nfs/dbraw/zinc/46/04/60/1131460460.db2.gz HQIUHECPIZZRRK-UHFFFAOYSA-N 0 0 293.366 3.883 20 10 CHCDRN C[C@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000824716152 1131480526 /nfs/dbraw/zinc/48/05/26/1131480526.db2.gz SHSSECGJKNTKDH-ONGXEEELSA-N 0 0 291.288 3.694 20 10 CHCDRN Cc1c(C[N@H+](C)C2CC(F)(F)C2)c2ccccc2n1C ZINC001138252510 1131482447 /nfs/dbraw/zinc/48/24/47/1131482447.db2.gz JIIJMJYBXVSCSZ-UHFFFAOYSA-N 0 0 278.346 3.716 20 10 CHCDRN Oc1ccc(F)cc1CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000825103470 1131495960 /nfs/dbraw/zinc/49/59/60/1131495960.db2.gz GHULHWFPNBUIBA-INIZCTEOSA-N 0 0 287.334 3.852 20 10 CHCDRN CNc1ccccc1N[C@@H](C)c1cccc(C(=O)OC)c1 ZINC001171109489 1131536142 /nfs/dbraw/zinc/53/61/42/1131536142.db2.gz OAWGCLCLUKFNOQ-LBPRGKRZSA-N 0 0 284.359 3.688 20 10 CHCDRN CCC1(CC)CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000832173602 1131545398 /nfs/dbraw/zinc/54/53/98/1131545398.db2.gz RIRXNLYQUDVMHH-UHFFFAOYSA-N 0 0 288.435 3.630 20 10 CHCDRN C[C@H](NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccc(N(C)C)cc1 ZINC000844486537 1131571074 /nfs/dbraw/zinc/57/10/74/1131571074.db2.gz YCMMVCFFEMGHQO-JSSFPYSZSA-N 0 0 298.430 3.532 20 10 CHCDRN CC(C)c1ccc(NC(=O)Nc2cccc(O)c2O)cc1 ZINC001202924701 1131603369 /nfs/dbraw/zinc/60/33/69/1131603369.db2.gz MOYVGFKDBMOVGI-UHFFFAOYSA-N 0 0 286.331 3.865 20 10 CHCDRN CCc1ccc(NC(=O)Nc2nc3ccccc3n2C)cc1 ZINC001202931798 1131606857 /nfs/dbraw/zinc/60/68/57/1131606857.db2.gz DWMGRCZSMUPECC-UHFFFAOYSA-N 0 0 294.358 3.780 20 10 CHCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCCC2(CCCC2)C1 ZINC001139681257 1131627740 /nfs/dbraw/zinc/62/77/40/1131627740.db2.gz NOYROFAHZIARFV-UHFFFAOYSA-N 0 0 281.346 3.827 20 10 CHCDRN CC(C)Oc1ccnc(CSc2nccs2)c1 ZINC000845307042 1131628735 /nfs/dbraw/zinc/62/87/35/1131628735.db2.gz URWWSXOPKXZJCG-UHFFFAOYSA-N 0 0 266.391 3.618 20 10 CHCDRN C[C@@H]1c2ccccc2CC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139685705 1131629132 /nfs/dbraw/zinc/62/91/32/1131629132.db2.gz UBMZOLGSXROMGX-LLVKDONJSA-N 0 0 289.325 3.790 20 10 CHCDRN CC1(C)C[N@H+](Cc2c(F)ccc(F)c2[O-])CCC1(F)F ZINC001139685716 1131629392 /nfs/dbraw/zinc/62/93/92/1131629392.db2.gz UULBQESDGCTPHI-UHFFFAOYSA-N 0 0 291.288 3.538 20 10 CHCDRN CN(Cc1cc(F)ccc1O)[C@H](C1CCC1)C(F)(F)F ZINC001140059148 1131660244 /nfs/dbraw/zinc/66/02/44/1131660244.db2.gz VRGFYKNEPZPZLS-CYBMUJFWSA-N 0 0 291.288 3.694 20 10 CHCDRN CC(C)c1nc(CN(C)Cc2cc(F)ccc2O)cs1 ZINC001140059127 1131660449 /nfs/dbraw/zinc/66/04/49/1131660449.db2.gz UGRFRXCHGZHJRD-UHFFFAOYSA-N 0 0 294.395 3.743 20 10 CHCDRN C[C@]1(CC[NH2+]Cc2cccc(Cl)c2[O-])C[C@]1(F)Cl ZINC000846032619 1131680811 /nfs/dbraw/zinc/68/08/11/1131680811.db2.gz BDFGAHMGBFWOHP-QWHCGFSZSA-N 0 0 292.181 3.840 20 10 CHCDRN CCOc1cccc(CNc2ncccc2SC)c1O ZINC000846061881 1131686499 /nfs/dbraw/zinc/68/64/99/1131686499.db2.gz WBOJICCFHFNQOY-UHFFFAOYSA-N 0 0 290.388 3.520 20 10 CHCDRN COc1ccccc1N[C@@H](C)c1cccc(OC)c1O ZINC000846158552 1131692230 /nfs/dbraw/zinc/69/22/30/1131692230.db2.gz IPVDNLONPDYNIK-NSHDSACASA-N 0 0 273.332 3.583 20 10 CHCDRN COc1ccc(C)cc1N[C@H](C)c1cccc(OC)c1O ZINC000846158591 1131692299 /nfs/dbraw/zinc/69/22/99/1131692299.db2.gz AZHNUSIEOKKDCI-GFCCVEGCSA-N 0 0 287.359 3.891 20 10 CHCDRN Oc1cccc(Cl)c1CN1Cc2cccc(F)c2C1 ZINC001140341613 1131703564 /nfs/dbraw/zinc/70/35/64/1131703564.db2.gz ZIZPERZLGUXEME-UHFFFAOYSA-N 0 0 277.726 3.701 20 10 CHCDRN Oc1cccc2c1[C@@H]([NH2+]Cc1c(F)cc(F)cc1F)CC2 ZINC000834810313 1131706037 /nfs/dbraw/zinc/70/60/37/1131706037.db2.gz BQMQEXPHEPYTAP-AWEZNQCLSA-N 0 0 293.288 3.587 20 10 CHCDRN CC[C@H]([NH2+]CCCC1CCOCC1)c1ccc(F)cc1[O-] ZINC000834818061 1131707124 /nfs/dbraw/zinc/70/71/24/1131707124.db2.gz HDWIEEOUCKODPP-INIZCTEOSA-N 0 0 295.398 3.779 20 10 CHCDRN CC(C)c1ccoc1C(=O)NCc1cc(Cl)ccc1O ZINC000846477699 1131711106 /nfs/dbraw/zinc/71/11/06/1131711106.db2.gz VKEHXYGNCZBZRM-UHFFFAOYSA-N 0 0 293.750 3.692 20 10 CHCDRN CC[C@H]([NH2+]Cc1ccnc(C)c1)c1cccc(Cl)c1[O-] ZINC000834860940 1131714333 /nfs/dbraw/zinc/71/43/33/1131714333.db2.gz VULNJNVKYKKGSF-HNNXBMFYSA-N 0 0 290.794 3.990 20 10 CHCDRN Cc1ccccc1C1(NC(=O)C2=CC(=O)CS2)CCC1 ZINC000846655568 1131718198 /nfs/dbraw/zinc/71/81/98/1131718198.db2.gz UKSMEKDZRKXWCE-UHFFFAOYSA-N 0 0 287.384 3.571 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)[C@H](OC)C1CC1)c1cccc(Cl)c1[O-] ZINC000834903901 1131728381 /nfs/dbraw/zinc/72/83/81/1131728381.db2.gz MBUANVJCEUDMHA-OOVXXXAESA-N 0 0 297.826 3.900 20 10 CHCDRN CCN(C)c1ccc([C@H](C)Nc2cccc(CCO)c2)cc1 ZINC000834907010 1131730886 /nfs/dbraw/zinc/73/08/86/1131730886.db2.gz JSOBAHDEYVURAM-HNNXBMFYSA-N 0 0 298.430 3.851 20 10 CHCDRN Cc1ccc([C@H](C)Nc2cccc(CCO)c2)c(O)c1C ZINC000834912977 1131731594 /nfs/dbraw/zinc/73/15/94/1131731594.db2.gz NUJNXOKBJZJQQH-AWEZNQCLSA-N 0 0 285.387 3.717 20 10 CHCDRN CC[C@H](Nc1cccc(CCO)c1)c1ccc(C)cc1O ZINC000834913471 1131731801 /nfs/dbraw/zinc/73/18/01/1131731801.db2.gz PVYCVBBYCXVXBK-KRWDZBQOSA-N 0 0 285.387 3.799 20 10 CHCDRN C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(Cl)cc1O ZINC001140466428 1131753044 /nfs/dbraw/zinc/75/30/44/1131753044.db2.gz FJMAXEXBNQVTNS-WDEREUQCSA-N 0 0 253.773 3.666 20 10 CHCDRN COc1ccc(O)c(CNc2ccccc2OCC2CC2)c1 ZINC000835029643 1131760032 /nfs/dbraw/zinc/76/00/32/1131760032.db2.gz SDGYLQYMFOFVSL-UHFFFAOYSA-N 0 0 299.370 3.802 20 10 CHCDRN CC[C@H](NC/C=C\c1ccc(N(C)C)cc1)C(F)(F)F ZINC000835049438 1131765328 /nfs/dbraw/zinc/76/53/28/1131765328.db2.gz DNUNGCPQJWKRBD-GXMNPTEKSA-N 0 0 286.341 3.696 20 10 CHCDRN C/C(=C\c1ccco1)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000846980817 1131770592 /nfs/dbraw/zinc/77/05/92/1131770592.db2.gz YJKOSERSTHAMJP-XTZCOPOCSA-N 0 0 298.386 3.626 20 10 CHCDRN Oc1cccc2c1CN(Cc1cccc(F)c1Cl)CC2 ZINC001140567602 1131797198 /nfs/dbraw/zinc/79/71/98/1131797198.db2.gz DMQCPDCUSBJYIR-UHFFFAOYSA-N 0 0 291.753 3.743 20 10 CHCDRN Cc1cccc(CC[N@@H+](C)Cc2c([O-])cc(F)cc2F)c1 ZINC001140583237 1131807311 /nfs/dbraw/zinc/80/73/11/1131807311.db2.gz AOVGCMVNJBCTMG-UHFFFAOYSA-N 0 0 291.341 3.653 20 10 CHCDRN Cc1ccc(O)c(CN(C)[C@H](C2CCC2)C(F)(F)F)c1 ZINC001140623553 1131832323 /nfs/dbraw/zinc/83/23/23/1131832323.db2.gz UUSROZZUTDWRNJ-CQSZACIVSA-N 0 0 287.325 3.863 20 10 CHCDRN Cc1cc(C)c(CNC(=O)c2ccccc2C2CC2)c(O)c1 ZINC001148482368 1131858077 /nfs/dbraw/zinc/85/80/77/1131858077.db2.gz WJCUTTPLWPBGKU-UHFFFAOYSA-N 0 0 295.382 3.816 20 10 CHCDRN C[C@H](NC(=O)[C@@H](C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000772994518 1131872075 /nfs/dbraw/zinc/87/20/75/1131872075.db2.gz NOSRILYBWVBTQO-GJZGRUSLSA-N 0 0 296.414 3.734 20 10 CHCDRN CC(C)(C)CCCNC(=O)NCc1cc(Cl)ccc1O ZINC001228477941 1131891950 /nfs/dbraw/zinc/89/19/50/1131891950.db2.gz DPBCWDNIXZOYFJ-UHFFFAOYSA-N 0 0 298.814 3.671 20 10 CHCDRN CCc1nn(C)cc1N[C@@H](C)c1cc(Cl)cc(C)c1O ZINC000808711984 1131914502 /nfs/dbraw/zinc/91/45/02/1131914502.db2.gz XWQDDPTZPGQUMS-JTQLQIEISA-N 0 0 293.798 3.823 20 10 CHCDRN C[C@H](NC(=O)C[C@H]1CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773009684 1131917944 /nfs/dbraw/zinc/91/79/44/1131917944.db2.gz LNQPRZYFJCAENM-OFQRWUPVSA-N 0 0 288.435 3.756 20 10 CHCDRN CCOc1ccc(N(C)CCSC(C)C)cc1 ZINC000801518063 1131933629 /nfs/dbraw/zinc/93/36/29/1131933629.db2.gz SKILALKZLDFGMC-UHFFFAOYSA-N 0 0 253.411 3.663 20 10 CHCDRN Oc1cc2ccccc2cc1CNc1cc(Cl)cnn1 ZINC001171399485 1131966197 /nfs/dbraw/zinc/96/61/97/1131966197.db2.gz HSFOBKYWMIKWDT-UHFFFAOYSA-N 0 0 285.734 3.601 20 10 CHCDRN CCc1ncnc(NCc2cc3ccccc3cc2O)c1F ZINC001171400774 1131967052 /nfs/dbraw/zinc/96/70/52/1131967052.db2.gz ZYLYWLUCYNUYBN-UHFFFAOYSA-N 0 0 297.333 3.649 20 10 CHCDRN Cc1cc(NCc2cc3ccccc3cc2O)nnc1C ZINC001171399852 1131967630 /nfs/dbraw/zinc/96/76/30/1131967630.db2.gz NQPSGDLJDMEXJW-UHFFFAOYSA-N 0 0 279.343 3.564 20 10 CHCDRN Cc1ccc(CN2CCCC[C@H]2C(F)(F)F)c(O)c1 ZINC001140949416 1131969650 /nfs/dbraw/zinc/96/96/50/1131969650.db2.gz BGKFXAXYHDFDLD-ZDUSSCGKSA-N 0 0 273.298 3.617 20 10 CHCDRN Nc1ccc(Cl)nc1NCc1cc2ccccc2cc1O ZINC001171404348 1131970436 /nfs/dbraw/zinc/97/04/36/1131970436.db2.gz AQKAFSLJZSQXSM-UHFFFAOYSA-N 0 0 299.761 3.788 20 10 CHCDRN Cc1ccc(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c(O)c1 ZINC001140953726 1131971530 /nfs/dbraw/zinc/97/15/30/1131971530.db2.gz FEMHWOKQCIHIBK-HUUCEWRRSA-N 0 0 259.393 3.713 20 10 CHCDRN CC[N@H+](CCc1ccc(OC)cc1)Cc1ccc(C)cc1O ZINC001140954775 1131971779 /nfs/dbraw/zinc/97/17/79/1131971779.db2.gz YTVVEDMXAGCTRZ-UHFFFAOYSA-N 0 0 299.414 3.774 20 10 CHCDRN C[C@@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1ccc(F)cc1[O-] ZINC000716074193 1132005636 /nfs/dbraw/zinc/00/56/36/1132005636.db2.gz XAYDNHJZJREBMW-WDFAYWTNSA-N 0 0 295.423 3.856 20 10 CHCDRN CCC[C@@H](CC)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773240411 1132011078 /nfs/dbraw/zinc/01/10/78/1132011078.db2.gz DSGSIDGJGFLESX-DZGCQCFKSA-N 0 0 291.439 3.692 20 10 CHCDRN CCC[C@@H](CC)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773240413 1132012010 /nfs/dbraw/zinc/01/20/10/1132012010.db2.gz DSGSIDGJGFLESX-UKRRQHHQSA-N 0 0 291.439 3.692 20 10 CHCDRN Cc1ccc(N(CC(C)C)C(=O)c2cccc(O)c2O)cc1 ZINC000837069667 1132032211 /nfs/dbraw/zinc/03/22/11/1132032211.db2.gz RNFDGMBJYGNDRB-UHFFFAOYSA-N 0 0 299.370 3.709 20 10 CHCDRN CC[N@H+](Cc1ccccc1O)[C@@H]1Cc2cccc(F)c2C1 ZINC001171807594 1132103928 /nfs/dbraw/zinc/10/39/28/1132103928.db2.gz VIJRBWORBAVXRA-OAHLLOKOSA-N 0 0 285.362 3.521 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCCC1(C)C ZINC000773340236 1132119406 /nfs/dbraw/zinc/11/94/06/1132119406.db2.gz NCNUXGPRZWOESZ-HNNXBMFYSA-N 0 0 289.419 3.957 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(F)cc1[O-] ZINC000840820097 1132290304 /nfs/dbraw/zinc/29/03/04/1132290304.db2.gz JVFUHXDKFBVTTN-SDJAHQOYSA-N 0 0 263.356 3.761 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1cc(Cl)ccc1O ZINC000840815781 1132290684 /nfs/dbraw/zinc/29/06/84/1132290684.db2.gz HOVLWYWVEAXIDK-GXFFZTMASA-N 0 0 293.798 3.581 20 10 CHCDRN CC(F)(F)c1ccc(N(CCO)c2ccc(N)cc2)cc1 ZINC001212676208 1132293959 /nfs/dbraw/zinc/29/39/59/1132293959.db2.gz LDQZNNTWHPNQRP-UHFFFAOYSA-N 0 0 292.329 3.511 20 10 CHCDRN Nc1ccc(NCc2ccccc2OCC2CC2)cc1 ZINC000841039916 1132323102 /nfs/dbraw/zinc/32/31/02/1132323102.db2.gz DUXAGCQYGXSSKO-UHFFFAOYSA-N 0 0 268.360 3.670 20 10 CHCDRN C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841298759 1132342495 /nfs/dbraw/zinc/34/24/95/1132342495.db2.gz 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10 CHCDRN CCC[C@@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])OCC ZINC000858451725 1123655418 /nfs/dbraw/zinc/65/54/18/1123655418.db2.gz ZQSFMZNETARKHR-PWSUYJOCSA-N 0 0 287.350 3.526 20 10 CHCDRN COc1cc(Cl)cc(C[NH+]2CCC(C)(C)CC2)c1O ZINC000228654114 1123867240 /nfs/dbraw/zinc/86/72/40/1123867240.db2.gz ZDPVKQKAAZXFQJ-UHFFFAOYSA-N 0 0 283.799 3.676 20 10 CHCDRN C[C@@H]([NH2+]CC[C@@H]1CCCS1)c1cc(F)cc(F)c1[O-] ZINC000866479948 1124071328 /nfs/dbraw/zinc/07/13/28/1124071328.db2.gz BCVZVCTXHDEXPG-KOLCDFICSA-N 0 0 287.375 3.607 20 10 CHCDRN COc1cccc(NCc2cccc(Cl)c2O)c1 ZINC000124615728 1124800552 /nfs/dbraw/zinc/80/05/52/1124800552.db2.gz KAACPKFXQNWCKM-UHFFFAOYSA-N 0 0 263.724 3.666 20 10 CHCDRN CC1(CC(=O)NCc2cc(Cl)ccc2O)CCCC1 ZINC000846477665 1131710673 /nfs/dbraw/zinc/71/06/73/1131710673.db2.gz UVPOGDZAWODCMI-UHFFFAOYSA-N 0 0 281.783 3.632 20 10 CHCDRN CC[C@H]([NH2+]CCOC(C)(C)CC)c1ccc(F)cc1[O-] ZINC000834916422 1131733619 /nfs/dbraw/zinc/73/36/19/1131733619.db2.gz YGKXTKUHIUJFKF-AWEZNQCLSA-N 0 0 283.387 3.777 20 10 CHCDRN CN(C(=O)C1=CC(=O)CS1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000842272839 1132415496 /nfs/dbraw/zinc/41/54/96/1132415496.db2.gz SQIIBXAKNWTAFG-RYUDHWBXSA-N 0 0 281.421 3.741 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000842930197 1132477729 /nfs/dbraw/zinc/47/77/29/1132477729.db2.gz XPXKJFNZKMCNHL-HLTSFMKQSA-N 0 0 290.190 3.527 20 10 CHCDRN CC1(C)C[N@H+](Cc2ccc(F)c(F)c2[O-])CCC1(F)F ZINC001233076681 1132569573 /nfs/dbraw/zinc/56/95/73/1132569573.db2.gz SQXYQDRLJSMYHR-UHFFFAOYSA-N 0 0 291.288 3.538 20 10 CHCDRN CCCC1CC[NH+](Cc2c([O-])ccc(F)c2F)CC1 ZINC001233334305 1132603932 /nfs/dbraw/zinc/60/39/32/1132603932.db2.gz BGCPAHQIXSTBKW-UHFFFAOYSA-N 0 0 269.335 3.683 20 10 CHCDRN Cc1cccc(NC(=O)N2CCc3cccc(O)c3C2)c1C ZINC001202697297 1125517108 /nfs/dbraw/zinc/51/71/08/1125517108.db2.gz LLKRHNKLZMFRIE-UHFFFAOYSA-N 0 0 296.370 3.599 20 10 CHCDRN CC(C)[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000135649057 1125594391 /nfs/dbraw/zinc/59/43/91/1125594391.db2.gz MBKDKCHDSNTVPA-LLVKDONJSA-N 0 0 253.773 3.524 20 10 CHCDRN C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841758079 1125598133 /nfs/dbraw/zinc/59/81/33/1125598133.db2.gz KKOXPUUMSHHISB-NEPJUHHUSA-N 0 0 290.794 3.722 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886489431 1125680390 /nfs/dbraw/zinc/68/03/90/1125680390.db2.gz IPICTNKGCNBYFF-NEPJUHHUSA-N 0 0 259.324 3.943 20 10 CHCDRN COCc1ccccc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886497136 1125681034 /nfs/dbraw/zinc/68/10/34/1125681034.db2.gz UGIDUIRADAGKOA-LBPRGKRZSA-N 0 0 289.350 3.529 20 10 CHCDRN C[C@H](Cc1ccc(O)cc1)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886522252 1125683320 /nfs/dbraw/zinc/68/33/20/1125683320.db2.gz FVYNJCFRNZTCJE-VXGBXAGGSA-N 0 0 289.350 3.519 20 10 CHCDRN Cc1csc([C@H](C)N[C@@H](C)c2c(O)cccc2F)n1 ZINC000886522540 1125684606 /nfs/dbraw/zinc/68/46/06/1125684606.db2.gz LXGBWLKJXKAQGM-UWVGGRQHSA-N 0 0 280.368 3.708 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccncc1 ZINC000886532787 1125685243 /nfs/dbraw/zinc/68/52/43/1125685243.db2.gz OUJLUUIKPDOWKL-SMDDNHRTSA-N 0 0 274.339 3.728 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1c([O-])cccc1F ZINC000886552235 1125689804 /nfs/dbraw/zinc/68/98/04/1125689804.db2.gz XARXQEQWAHLCII-ZJUUUORDSA-N 0 0 273.298 3.760 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1c([O-])cccc1F ZINC000886551464 1125690075 /nfs/dbraw/zinc/69/00/75/1125690075.db2.gz IKGHQKDAMHRTTG-CHWSQXEVSA-N 0 0 293.382 3.674 20 10 CHCDRN COc1cc(C)cc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886555494 1125690226 /nfs/dbraw/zinc/69/02/26/1125690226.db2.gz UPEWNMPVVUPVHY-LBPRGKRZSA-N 0 0 289.350 3.699 20 10 CHCDRN C[C@H](Nc1ccc2c(c1)CCO2)c1c(O)cccc1F ZINC000886573879 1125691641 /nfs/dbraw/zinc/69/16/41/1125691641.db2.gz AAABZVLAXZRKRJ-JTQLQIEISA-N 0 0 273.307 3.639 20 10 CHCDRN CCc1cnccc1[C@@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886561800 1125691912 /nfs/dbraw/zinc/69/19/12/1125691912.db2.gz JKODCZZBYJHLKW-VXGBXAGGSA-N 0 0 288.366 3.901 20 10 CHCDRN COc1cc(N[C@@H](C)c2c(O)cccc2F)cc(OC)c1 ZINC000886580642 1125692969 /nfs/dbraw/zinc/69/29/69/1125692969.db2.gz SDAKQHOHIUVWCI-JTQLQIEISA-N 0 0 291.322 3.722 20 10 CHCDRN COCC[C@@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccco1 ZINC000886587536 1125693840 /nfs/dbraw/zinc/69/38/40/1125693840.db2.gz ASIZMIWDSZJWSE-WCQYABFASA-N 0 0 293.338 3.553 20 10 CHCDRN Cc1cscc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886601540 1125696880 /nfs/dbraw/zinc/69/68/80/1125696880.db2.gz VWWXZVQJHHVIDP-JTQLQIEISA-N 0 0 265.353 3.752 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CCCC1(F)F)c1c([O-])cccc1F ZINC000886619237 1125699312 /nfs/dbraw/zinc/69/93/12/1125699312.db2.gz XGTYLASYNMFMJG-VHSXEESVSA-N 0 0 273.298 3.617 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)c1c([O-])cccc1F ZINC000886619236 1125699577 /nfs/dbraw/zinc/69/95/77/1125699577.db2.gz XGTYLASYNMFMJG-UWVGGRQHSA-N 0 0 273.298 3.617 20 10 CHCDRN C[C@H]1CCN(C(=O)Nc2ccc(N)cc2)[C@H]1c1ccccc1 ZINC000886960759 1125726956 /nfs/dbraw/zinc/72/69/56/1125726956.db2.gz CHVLAZPPPUFNQP-SUMWQHHRSA-N 0 0 295.386 3.884 20 10 CHCDRN C[C@H]1CCN(C(=O)Nc2ccc(N)cc2)[C@@H]1c1ccccc1 ZINC000886960758 1125727453 /nfs/dbraw/zinc/72/74/53/1125727453.db2.gz CHVLAZPPPUFNQP-GUYCJALGSA-N 0 0 295.386 3.884 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNc1cncc(F)c1 ZINC000336831022 1129251130 /nfs/dbraw/zinc/25/11/30/1129251130.db2.gz OMVQCWJFNSNQJV-UHFFFAOYSA-N 0 0 269.323 3.633 20 10 CHCDRN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCCC2(CC2)C1 ZINC000792174042 1130435532 /nfs/dbraw/zinc/43/55/32/1130435532.db2.gz DWXHWQYVHYTMPU-UHFFFAOYSA-N 0 0 269.747 3.561 20 10 CHCDRN CC(C)[C@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000175505639 1126783378 /nfs/dbraw/zinc/78/33/78/1126783378.db2.gz YJFFRHAEZMXOQF-SFHVURJKSA-N 0 0 297.398 3.790 20 10 CHCDRN C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000180179025 1126840396 /nfs/dbraw/zinc/84/03/96/1126840396.db2.gz XZBWMMXRWDFONP-LLVKDONJSA-N 0 0 291.778 3.944 20 10 CHCDRN CC[C@@H](Oc1cc(O)c(O)cc1C(C)=O)C(C)(C)C ZINC001234474139 1130647565 /nfs/dbraw/zinc/64/75/65/1130647565.db2.gz OFIATTSBHPRNDS-CQSZACIVSA-N 0 0 266.337 3.504 20 10 CHCDRN CC[C@@H](Nc1cnn(CC)c1)c1ccc(N(C)C)cc1 ZINC000183368909 1126885973 /nfs/dbraw/zinc/88/59/73/1126885973.db2.gz XLHUCUNUFXJNSH-MRXNPFEDSA-N 0 0 272.396 3.532 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1[O-] ZINC000184851403 1126897495 /nfs/dbraw/zinc/89/74/95/1126897495.db2.gz DRWGWYYJUXRXTQ-BDAKNGLRSA-N 0 0 290.190 3.529 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1[O-])c1ccncc1 ZINC000187734032 1126913844 /nfs/dbraw/zinc/91/38/44/1126913844.db2.gz VNUHODCIXZNUAX-YGRLFVJLSA-N 0 0 292.329 3.867 20 10 CHCDRN C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1ccc(F)c(F)c1[O-] ZINC000187758003 1126913903 /nfs/dbraw/zinc/91/39/03/1126913903.db2.gz NINMBRJBWOVKEX-YMTOWFKASA-N 0 0 287.375 3.607 20 10 CHCDRN CC(C)OCCCC[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000187912114 1126917111 /nfs/dbraw/zinc/91/71/11/1126917111.db2.gz HYUYONQDQXDFMK-LLVKDONJSA-N 0 0 287.350 3.526 20 10 CHCDRN COc1cccc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000191186499 1126948762 /nfs/dbraw/zinc/94/87/62/1126948762.db2.gz GHFMOSVXQQTCMV-SNVBAGLBSA-N 0 0 293.313 3.530 20 10 CHCDRN CN(C)c1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000149153628 1126953192 /nfs/dbraw/zinc/95/31/92/1126953192.db2.gz KDZOVOSJHWTTAX-UHFFFAOYSA-N 0 0 276.767 3.724 20 10 CHCDRN C[C@@H]([NH2+]C1CCOCC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192702015 1126963215 /nfs/dbraw/zinc/96/32/15/1126963215.db2.gz APGIYNPINRJDGS-MRVPVSSYSA-N 0 0 290.190 3.529 20 10 CHCDRN COc1cccc(C2([NH2+]Cc3ccc(OC)c(C)c3)CC2)c1 ZINC000268232769 1127013980 /nfs/dbraw/zinc/01/39/80/1127013980.db2.gz UXZWQQDYUBBDJZ-UHFFFAOYSA-N 0 0 297.398 3.791 20 10 CHCDRN Nc1ccc(NC(=O)C2(C3CCCCC3)CC2)cc1 ZINC000911661495 1127085195 /nfs/dbraw/zinc/08/51/95/1127085195.db2.gz VRSHPSHBQOJKTK-UHFFFAOYSA-N 0 0 258.365 3.568 20 10 CHCDRN CC[C@H]1C[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)CCO1 ZINC000912854403 1127114607 /nfs/dbraw/zinc/11/46/07/1127114607.db2.gz ZNGAEUCFVNBMAC-HNNXBMFYSA-N 0 0 291.435 3.609 20 10 CHCDRN Cc1ccccc1NC(=O)CCSc1nccs1 ZINC000150978843 1127116765 /nfs/dbraw/zinc/11/67/65/1127116765.db2.gz RRZRRWPGJQYTIK-UHFFFAOYSA-N 0 0 278.402 3.572 20 10 CHCDRN C[N@@H+](Cc1c(O)ccc(F)c1Cl)C[C@H]1CC1(C)C ZINC001237127863 1131055702 /nfs/dbraw/zinc/05/57/02/1131055702.db2.gz HAJKRWCAUWTSTJ-SECBINFHSA-N 0 0 271.763 3.663 20 10 CHCDRN C[C@H]1CCC[N@H+](Cc2c(O)ccc(F)c2Cl)[C@H]1C ZINC001237123980 1131055140 /nfs/dbraw/zinc/05/51/40/1131055140.db2.gz IKRYUQCBZSSRCZ-UWVGGRQHSA-N 0 0 271.763 3.805 20 10 CHCDRN Cc1ccc(Sc2ncc([N+](=O)[O-])s2)c(C)c1 ZINC000799923995 1131116071 /nfs/dbraw/zinc/11/60/71/1131116071.db2.gz FKFMPBGEKQSLJD-UHFFFAOYSA-N 0 0 266.347 3.819 20 10 CHCDRN CCN(C(=O)[C@@H](C)Sc1nccs1)C1CCCCC1 ZINC000284329776 1127180244 /nfs/dbraw/zinc/18/02/44/1127180244.db2.gz UMMKZGNFWHMVJG-LLVKDONJSA-N 0 0 298.477 3.805 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001237616521 1131118978 /nfs/dbraw/zinc/11/89/78/1131118978.db2.gz FSHUHPCIBPBAHS-LLVKDONJSA-N 0 0 275.726 3.509 20 10 CHCDRN CC[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1Br ZINC000707133860 1127207450 /nfs/dbraw/zinc/20/74/50/1127207450.db2.gz FNRZWGFLAXCTAJ-SNVBAGLBSA-N 0 0 284.197 3.529 20 10 CHCDRN CC[C@@H]([NH2+]CCCc1ccccn1)c1ccc(F)cc1[O-] ZINC000285930526 1127246843 /nfs/dbraw/zinc/24/68/43/1127246843.db2.gz CXCAFLFGVRCUSO-MRXNPFEDSA-N 0 0 288.366 3.600 20 10 CHCDRN CC[C@@H]([NH2+]CCCc1nccs1)c1ccc(F)cc1[O-] ZINC000286102893 1127258544 /nfs/dbraw/zinc/25/85/44/1127258544.db2.gz MQFTUGFVCUJJRZ-CYBMUJFWSA-N 0 0 294.395 3.661 20 10 CHCDRN CC[C@H]([NH2+]CCCc1nccs1)c1ccc(F)cc1[O-] ZINC000286102897 1127258699 /nfs/dbraw/zinc/25/86/99/1127258699.db2.gz MQFTUGFVCUJJRZ-ZDUSSCGKSA-N 0 0 294.395 3.661 20 10 CHCDRN CC[C@@H]([NH2+]CCCCOC(C)C)c1ccc(F)cc1[O-] ZINC000286211181 1127262396 /nfs/dbraw/zinc/26/23/96/1127262396.db2.gz RUNGWMKOPPVXEW-OAHLLOKOSA-N 0 0 283.387 3.777 20 10 CHCDRN CCc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000224571039 1127269360 /nfs/dbraw/zinc/26/93/60/1127269360.db2.gz KRBBYDYCUZUFMC-UHFFFAOYSA-N 0 0 275.779 3.898 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cccc(Cl)c1[O-] ZINC000287153813 1127293140 /nfs/dbraw/zinc/29/31/40/1127293140.db2.gz SVFNEJUQVGEOQO-LEWSCRJBSA-N 0 0 283.799 3.511 20 10 CHCDRN CCN(CC)c1ccc(/C=C/c2ccncn2)cc1F ZINC000157258061 1127293318 /nfs/dbraw/zinc/29/33/18/1127293318.db2.gz QORFNRFRZLOVTB-FNORWQNLSA-N 0 0 271.339 3.632 20 10 CHCDRN CC[C@@H]([NH2+]CC(C)(C)O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287681812 1127311783 /nfs/dbraw/zinc/31/17/83/1127311783.db2.gz MQWZCTUJBVOLSC-LLVKDONJSA-N 0 0 292.206 3.511 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H](C)SC)c1cccc(Cl)c1[O-] ZINC000287801104 1127313525 /nfs/dbraw/zinc/31/35/25/1127313525.db2.gz UDEUXALYSINOLC-SKDRFNHKSA-N 0 0 273.829 3.838 20 10 CHCDRN CC[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000760908503 1127325974 /nfs/dbraw/zinc/32/59/74/1127325974.db2.gz VZRBDKQVUINIRJ-PSASIEDQSA-N 0 0 279.277 3.913 20 10 CHCDRN CN1CCCc2cc(CNc3nc4ccccc4o3)ccc21 ZINC000058555607 1127359459 /nfs/dbraw/zinc/35/94/59/1127359459.db2.gz KEZUZYHYUFBFFQ-UHFFFAOYSA-N 0 0 293.370 3.822 20 10 CHCDRN CC(C)Oc1ccccc1NCc1cc(F)ccc1O ZINC000226580832 1127411497 /nfs/dbraw/zinc/41/14/97/1127411497.db2.gz MKINTRCAULOIKF-UHFFFAOYSA-N 0 0 275.323 3.931 20 10 CHCDRN CC(C)Oc1ccc(NCc2cc(F)ccc2O)cc1 ZINC000226580643 1127411912 /nfs/dbraw/zinc/41/19/12/1127411912.db2.gz KVVILBDSHYQHAZ-UHFFFAOYSA-N 0 0 275.323 3.931 20 10 CHCDRN CC(=O)Nc1cc(NCc2cccc(C)c2O)ccc1C ZINC000158052567 1127415298 /nfs/dbraw/zinc/41/52/98/1127415298.db2.gz DREPRIUPGKIJSS-UHFFFAOYSA-N 0 0 284.359 3.580 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000158077164 1127436627 /nfs/dbraw/zinc/43/66/27/1127436627.db2.gz AQFDBMCLLKKBHS-HNNXBMFYSA-N 0 0 287.790 3.693 20 10 CHCDRN CCSCC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000168807310 1127471214 /nfs/dbraw/zinc/47/12/14/1127471214.db2.gz ISRPPBGPGPUQNW-MNOVXSKESA-N 0 0 271.401 3.714 20 10 CHCDRN Cc1ccnc(N[C@H](C)c2cc(Cl)ccc2O)c1 ZINC000005982078 1127502083 /nfs/dbraw/zinc/50/20/83/1127502083.db2.gz BEMRBHWKEUCAQU-SNVBAGLBSA-N 0 0 262.740 3.922 20 10 CHCDRN CCc1noc(C)c1C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000293669471 1127512113 /nfs/dbraw/zinc/51/21/13/1127512113.db2.gz JIVDTYSWGIFDJF-CQSZACIVSA-N 0 0 292.354 3.631 20 10 CHCDRN COc1ccc(O)c(CNc2ccc([C@H]3CCOC3)cc2)c1 ZINC000293693628 1127513044 /nfs/dbraw/zinc/51/30/44/1127513044.db2.gz QUWUYYCCVOIEGW-AWEZNQCLSA-N 0 0 299.370 3.517 20 10 CHCDRN COc1ccc(O)c(CNc2ccc(C3CCC3)cn2)c1 ZINC000293985946 1127539414 /nfs/dbraw/zinc/53/94/14/1127539414.db2.gz LIENNDPPFRULHS-UHFFFAOYSA-N 0 0 284.359 3.675 20 10 CHCDRN [O-]c1cc(Cl)ccc1C[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC001308940864 1127595637 /nfs/dbraw/zinc/59/56/37/1127595637.db2.gz VOQGNJUVDLUIOO-SWLSCSKDSA-N 0 0 265.784 3.716 20 10 CHCDRN CC[C@@H]([NH2+][C@H](CC)C(C)(C)O)c1cccc(Cl)c1[O-] ZINC000294871743 1127605427 /nfs/dbraw/zinc/60/54/27/1127605427.db2.gz CSNSOUVICBPPSR-CHWSQXEVSA-N 0 0 285.815 3.636 20 10 CHCDRN Cc1cc(NS(=O)(=O)C2=CCCCC2)c(C)c(C)c1O ZINC000295254107 1127629834 /nfs/dbraw/zinc/62/98/34/1127629834.db2.gz XDTRKSWVSFPNGX-UHFFFAOYSA-N 0 0 295.404 3.517 20 10 CHCDRN C[C@H]([NH2+]CCc1c[nH]c2ccccc12)c1ccc(F)cc1[O-] ZINC000170788874 1127650068 /nfs/dbraw/zinc/65/00/68/1127650068.db2.gz KDMUSDDDPFKUBL-LBPRGKRZSA-N 0 0 298.361 3.906 20 10 CHCDRN CC[C@@H]([NH2+]CCc1ncccc1C)c1ccc(F)cc1[O-] ZINC000296462490 1127672637 /nfs/dbraw/zinc/67/26/37/1127672637.db2.gz NJNQYRDKEKYFNB-OAHLLOKOSA-N 0 0 288.366 3.518 20 10 CHCDRN CCN(Cc1csc(C)n1)Cc1ccc(N(C)C)cc1 ZINC000171119488 1127686934 /nfs/dbraw/zinc/68/69/34/1127686934.db2.gz TZUNXMRLGWPOBZ-UHFFFAOYSA-N 0 0 289.448 3.540 20 10 CHCDRN CCC(CC)(C(=O)NCc1ccc(N)cc1)c1ccccc1 ZINC000297316669 1127692971 /nfs/dbraw/zinc/69/29/71/1127692971.db2.gz WQUJJYWCTVBKCP-UHFFFAOYSA-N 0 0 296.414 3.643 20 10 CHCDRN C[C@H](C1CC1)n1cc(N[C@@H](C)c2ccccc2O)cn1 ZINC000187610396 1127727784 /nfs/dbraw/zinc/72/77/84/1127727784.db2.gz DMEVPGBEKRIRFO-NWDGAFQWSA-N 0 0 271.364 3.733 20 10 CHCDRN C[C@@H](CCc1ccco1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062745134 1127772562 /nfs/dbraw/zinc/77/25/62/1127772562.db2.gz IUSQLUHBZOBLBR-RYUDHWBXSA-N 0 0 277.339 3.796 20 10 CHCDRN CS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])C1 ZINC000230662536 1127771599 /nfs/dbraw/zinc/77/15/99/1127771599.db2.gz CRYSXHDDTFNQEC-WCFLWFBJSA-N 0 0 283.412 3.856 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccc(F)cc1[O-] ZINC000062747635 1127773872 /nfs/dbraw/zinc/77/38/72/1127773872.db2.gz BRBFIYNDTGJHTP-YPMHNXCESA-N 0 0 271.335 3.522 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000062748439 1127773971 /nfs/dbraw/zinc/77/39/71/1127773971.db2.gz DVPLQYDGDYCSFP-LRDDRELGSA-N 0 0 285.362 3.739 20 10 CHCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(F)cc1[O-] ZINC000062748280 1127774069 /nfs/dbraw/zinc/77/40/69/1127774069.db2.gz NUOXBIRKJZTHKY-VIFPVBQESA-N 0 0 281.277 3.660 20 10 CHCDRN Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])CO2 ZINC000373265916 1127830927 /nfs/dbraw/zinc/83/09/27/1127830927.db2.gz LBGYHTASWYQPKZ-XHDPSFHLSA-N 0 0 287.334 3.624 20 10 CHCDRN CCCCC[C@@H](C)CC(=O)NCc1cc(OC)ccc1O ZINC000173579277 1127840369 /nfs/dbraw/zinc/84/03/69/1127840369.db2.gz USAWQTSRMGDSNP-CYBMUJFWSA-N 0 0 293.407 3.624 20 10 CHCDRN CCC(CC)[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000761454496 1128030436 /nfs/dbraw/zinc/03/04/36/1128030436.db2.gz HWAICXKSVYEFHB-CQSZACIVSA-N 0 0 290.451 3.750 20 10 CHCDRN O=C(N1Cc2cccc(O)c2C1)C1(C2CCCCC2)CC1 ZINC000913726021 1128076622 /nfs/dbraw/zinc/07/66/22/1128076622.db2.gz GDULYICJYNTYIL-UHFFFAOYSA-N 0 0 285.387 3.595 20 10 CHCDRN CCC(CC)(CC)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000761543423 1128134306 /nfs/dbraw/zinc/13/43/06/1128134306.db2.gz VRKUPWUWDOTGAX-LBPRGKRZSA-N 0 0 293.407 3.794 20 10 CHCDRN Fc1cc(-c2nc(C3CCC3)no2)ccc1-n1cccc1 ZINC000761650404 1128183615 /nfs/dbraw/zinc/18/36/15/1128183615.db2.gz QKLYABVTWIMIOQ-UHFFFAOYSA-N 0 0 283.306 3.934 20 10 CHCDRN CC(=O)c1cc(O)c(O)cc1OC1C[C@H](C)C[C@@H](C)C1 ZINC001234474247 1128194518 /nfs/dbraw/zinc/19/45/18/1128194518.db2.gz PTTZAUIQICUUAC-NXEZZACHSA-N 0 0 278.348 3.504 20 10 CHCDRN Cn1cccc1CN(Cc1ccco1)Cc1ccccc1O ZINC000153231068 1128213757 /nfs/dbraw/zinc/21/37/57/1128213757.db2.gz CGYLSVJBFQSCAG-UHFFFAOYSA-N 0 0 296.370 3.526 20 10 CHCDRN C[C@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1c([O-])cccc1F ZINC000927124004 1128220120 /nfs/dbraw/zinc/22/01/20/1128220120.db2.gz GOBNLSQAUMPQKU-QWHCGFSZSA-N 0 0 293.382 3.674 20 10 CHCDRN CCCc1ccccc1NC(=O)N1Cc2cccc(O)c2C1 ZINC000929517732 1128276304 /nfs/dbraw/zinc/27/63/04/1128276304.db2.gz KQGBNVHBNWJDGD-UHFFFAOYSA-N 0 0 296.370 3.892 20 10 CHCDRN C[C@H]1C[C@H]1c1noc(-c2ccc(-n3cccc3)c(F)c2)n1 ZINC000762249083 1128286867 /nfs/dbraw/zinc/28/68/67/1128286867.db2.gz AZEZUWWDNJZFBB-CMPLNLGQSA-N 0 0 283.306 3.790 20 10 CHCDRN CCN(C(=O)/C=C\c1ccc(C)nc1)c1ccc(F)cc1 ZINC000777843218 1128292567 /nfs/dbraw/zinc/29/25/67/1128292567.db2.gz BGUSGCDIYUENAX-WDZFZDKYSA-N 0 0 284.334 3.595 20 10 CHCDRN CC(C)Oc1cccc(COC(=O)C2=CC(=O)CS2)c1 ZINC000732354231 1128321060 /nfs/dbraw/zinc/32/10/60/1128321060.db2.gz PSGPOZVLMSFFBU-UHFFFAOYSA-N 0 0 292.356 3.598 20 10 CHCDRN CN(Cc1ccc(F)c(Cl)c1)C(=O)C1=CC(=O)CS1 ZINC000762921995 1128327505 /nfs/dbraw/zinc/32/75/05/1128327505.db2.gz RODWJWWZUAJTFM-UHFFFAOYSA-N 0 0 299.754 3.518 20 10 CHCDRN C[C@H]1CCc2ccccc2[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000763223171 1128383149 /nfs/dbraw/zinc/38/31/49/1128383149.db2.gz JUHLNEIJNOPUOP-BONVTDFDSA-N 0 0 287.384 3.507 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)C2(C)CCCC2)cc1 ZINC000916502621 1128422206 /nfs/dbraw/zinc/42/22/06/1128422206.db2.gz IPFRCKHOAFSYCO-UHFFFAOYSA-N 0 0 288.435 3.729 20 10 CHCDRN Cc1cc(C(=O)Oc2ccccc2)c(C)n1-c1ccccn1 ZINC000916852064 1128459454 /nfs/dbraw/zinc/45/94/54/1128459454.db2.gz HSGSJXCNYHARQW-UHFFFAOYSA-N 0 0 292.338 3.708 20 10 CHCDRN CC1=C(C)C[C@@](C)(C(=O)NCc2ccccc2O)CC1 ZINC000934935230 1128474428 /nfs/dbraw/zinc/47/44/28/1128474428.db2.gz GIZWODTXERKZIA-KRWDZBQOSA-N 0 0 273.376 3.535 20 10 CHCDRN CC(C)(C)c1cnc(SC[C@](C)(O)C(F)F)s1 ZINC000917218467 1128490966 /nfs/dbraw/zinc/49/09/66/1128490966.db2.gz UTTFOTCNAQPBOQ-NSHDSACASA-N 0 0 281.393 3.549 20 10 CHCDRN CN(C)c1ccc(CN(C(=O)C=C2CCCC2)C2CC2)cc1 ZINC000917643684 1128512871 /nfs/dbraw/zinc/51/28/71/1128512871.db2.gz YZNJOBDVCLJQAM-UHFFFAOYSA-N 0 0 298.430 3.744 20 10 CHCDRN Clc1cnc(SCc2cnc(C3CC3)o2)s1 ZINC000918096564 1128533341 /nfs/dbraw/zinc/53/33/41/1128533341.db2.gz VRCYDRROXLEUIB-UHFFFAOYSA-N 0 0 272.782 3.954 20 10 CHCDRN CC(=O)c1cc(Cl)cc(C[N@@H+](CC2CC2)C(C)C)c1[O-] ZINC000042588140 1128578959 /nfs/dbraw/zinc/57/89/59/1128578959.db2.gz WPIDLZXDPVBYFS-UHFFFAOYSA-N 0 0 295.810 3.869 20 10 CHCDRN CC(C)CCC[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000042930074 1128590256 /nfs/dbraw/zinc/59/02/56/1128590256.db2.gz PRKPINUNAAQBRQ-CQSZACIVSA-N 0 0 292.423 3.748 20 10 CHCDRN CN(c1ccc(N)cc1)c1ccnc(Cl)c1Cl ZINC001212242703 1128631113 /nfs/dbraw/zinc/63/11/13/1128631113.db2.gz LZIRHCNADVATNN-UHFFFAOYSA-N 0 0 268.147 3.739 20 10 CHCDRN CC(C)SCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000383881627 1128645671 /nfs/dbraw/zinc/64/56/71/1128645671.db2.gz RSJYNGPJUHRZOB-UHFFFAOYSA-N 0 0 294.247 3.930 20 10 CHCDRN Cc1cccc(CNc2cccc(OC(F)F)c2)c1O ZINC000158043697 1128664415 /nfs/dbraw/zinc/66/44/15/1128664415.db2.gz CKBHOTIGWHESDQ-UHFFFAOYSA-N 0 0 279.286 3.914 20 10 CHCDRN Cc1cscc1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158811250 1128671364 /nfs/dbraw/zinc/67/13/64/1128671364.db2.gz KEQIFTYVQZWGTB-UHFFFAOYSA-N 0 0 267.781 3.705 20 10 CHCDRN Cc1cc(C(=O)N2CC=CCC2)c(C)n1-c1ccc(F)cc1 ZINC000778995929 1128675867 /nfs/dbraw/zinc/67/58/67/1128675867.db2.gz VNZRXMVELGSOAF-UHFFFAOYSA-N 0 0 298.361 3.635 20 10 CHCDRN Cc1cc(C(=O)NC2(C)CCCC2)c(C)n1-c1ccccn1 ZINC000920747065 1128688947 /nfs/dbraw/zinc/68/89/47/1128688947.db2.gz FXANWWIVJAHZOX-UHFFFAOYSA-N 0 0 297.402 3.552 20 10 CHCDRN CCC/C=C\C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000920739987 1128690784 /nfs/dbraw/zinc/69/07/84/1128690784.db2.gz QEYMJPUWZMDBAA-HJWRWDBZSA-N 0 0 274.408 3.505 20 10 CHCDRN C[C@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)CC1 ZINC000748084893 1117940503 /nfs/dbraw/zinc/94/05/03/1117940503.db2.gz XXLMGULHIUEDQS-ZDUSSCGKSA-N 0 0 270.376 3.562 20 10 CHCDRN CC[C@@H]([NH2+]CCCOC(F)F)c1cccc(Cl)c1[O-] ZINC000806165275 1117981877 /nfs/dbraw/zinc/98/18/77/1117981877.db2.gz IOKAQHUMFCEXPQ-LLVKDONJSA-N 0 0 293.741 3.716 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)C(C)(C)C ZINC000471218636 1117989848 /nfs/dbraw/zinc/98/98/48/1117989848.db2.gz DGYIGSWGNAQNFB-ZDUSSCGKSA-N 0 0 286.419 3.785 20 10 CHCDRN CCCCC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000728218898 1117996199 /nfs/dbraw/zinc/99/61/99/1117996199.db2.gz FLTGRPRTGNTEKW-UHFFFAOYSA-N 0 0 276.424 3.681 20 10 CHCDRN Cc1ncsc1/C=C/C(=O)N1C[C@@H](C)c2ccccc21 ZINC000186149571 1118029463 /nfs/dbraw/zinc/02/94/63/1118029463.db2.gz KQIXCERBMYKIOX-WSKFYRRCSA-N 0 0 284.384 3.615 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H]1CCC[C@@H]1C ZINC000187682184 1128755429 /nfs/dbraw/zinc/75/54/29/1128755429.db2.gz FSWRWJPOTZQADE-LSDHHAIUSA-N 0 0 289.419 3.957 20 10 CHCDRN C/C(=C/C(C)(C)C)C(=O)NCc1cccc(Cl)c1O ZINC000890759162 1118076518 /nfs/dbraw/zinc/07/65/18/1118076518.db2.gz FGVAOYUNEXWASD-NTMALXAHSA-N 0 0 281.783 3.654 20 10 CHCDRN CCC(CC)CN(C)c1ccc(OC)c(OC)c1 ZINC001167261633 1118130329 /nfs/dbraw/zinc/13/03/29/1118130329.db2.gz DQLJSTKANFOKDN-UHFFFAOYSA-N 0 0 251.370 3.576 20 10 CHCDRN [O-]c1cc(F)c(F)cc1C[N@H+](C1CC1)C1CCCC1 ZINC001205208075 1118154000 /nfs/dbraw/zinc/15/40/00/1118154000.db2.gz IVSXFSHSBVNDKZ-UHFFFAOYSA-N 0 0 267.319 3.577 20 10 CHCDRN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])[C@H]1C ZINC000385937299 1118156279 /nfs/dbraw/zinc/15/62/79/1118156279.db2.gz LCMXUJMXOQVHQC-LWINAJNOSA-N 0 0 274.191 3.833 20 10 CHCDRN C/C=C(/C=C/C(=O)NCc1ccc(N(C)C)cc1C)CC ZINC000765569550 1118171790 /nfs/dbraw/zinc/17/17/90/1118171790.db2.gz ZPFLQAJPZAXQSB-GJQOMTFKSA-N 0 0 286.419 3.590 20 10 CHCDRN CN(C(=O)c1cccc(O)c1O)c1ccc(C(C)(C)C)cc1 ZINC000188253243 1128761159 /nfs/dbraw/zinc/76/11/59/1128761159.db2.gz XVFRGIQXTFYCTH-UHFFFAOYSA-N 0 0 299.370 3.672 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SCC[C@@H]1CCCO1 ZINC000188842872 1128764923 /nfs/dbraw/zinc/76/49/23/1128764923.db2.gz WENHPXYDPHEFGO-AWEZNQCLSA-N 0 0 288.416 3.748 20 10 CHCDRN C[C@@H](c1ccccc1)[N@H+](C)Cc1cc(F)ccc1O ZINC000179887375 1128764984 /nfs/dbraw/zinc/76/49/84/1128764984.db2.gz PULPDWBYLMSJHT-LBPRGKRZSA-N 0 0 259.324 3.724 20 10 CHCDRN Cc1ccc(-c2noc(-c3csnn3)n2)c2ccccc12 ZINC001212362083 1118266542 /nfs/dbraw/zinc/26/65/42/1118266542.db2.gz LRGNYVWBEVNFOH-UHFFFAOYSA-N 0 0 294.339 3.717 20 10 CHCDRN Clc1ccc(Cl)c(-c2noc(-c3csnn3)n2)c1 ZINC001212362676 1118267153 /nfs/dbraw/zinc/26/71/53/1118267153.db2.gz WKILNQKFEBHUJN-UHFFFAOYSA-N 0 0 299.142 3.562 20 10 CHCDRN C[C@@H](NC(=O)c1cccc(C(F)F)c1)c1ccccc1O ZINC001648889556 1118270863 /nfs/dbraw/zinc/27/08/63/1118270863.db2.gz BDIMYNYIKSPCPU-SNVBAGLBSA-N 0 0 291.297 3.821 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000175867566 1118346173 /nfs/dbraw/zinc/34/61/73/1118346173.db2.gz UNIQZWUIAFBOAY-CABCVRRESA-N 0 0 289.419 3.957 20 10 CHCDRN Cc1cccc(NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000076275509 1128772036 /nfs/dbraw/zinc/77/20/36/1128772036.db2.gz MOPFDBMJANXOMW-UHFFFAOYSA-N 0 0 296.414 3.568 20 10 CHCDRN Cc1ccc(NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000076275521 1128772083 /nfs/dbraw/zinc/77/20/83/1128772083.db2.gz MQUJICFZPDRXJO-UHFFFAOYSA-N 0 0 296.414 3.568 20 10 CHCDRN Nc1ccc(N(Cc2ccccc2)c2cc[nH]c(=O)c2)cc1 ZINC001212278171 1128774724 /nfs/dbraw/zinc/77/47/24/1128774724.db2.gz NREHNXNALNBLRE-UHFFFAOYSA-N 0 0 291.354 3.708 20 10 CHCDRN CCOc1ncc(Cl)cc1-c1ccnc2c1ccn2C ZINC001236498550 1128775492 /nfs/dbraw/zinc/77/54/92/1128775492.db2.gz VJXXFUUMTWIXPN-UHFFFAOYSA-N 0 0 287.750 3.687 20 10 CHCDRN Oc1cccc(Cl)c1CN1Cc2cnc(Cl)cc2C1 ZINC001140342372 1118550874 /nfs/dbraw/zinc/55/08/74/1118550874.db2.gz GTWVGNHJBFIUTE-UHFFFAOYSA-N 0 0 295.169 3.610 20 10 CHCDRN CC(C)c1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000588403862 1118552181 /nfs/dbraw/zinc/55/21/81/1118552181.db2.gz XLPTZOIARONHTL-CLFYSBASSA-N 0 0 297.354 3.873 20 10 CHCDRN Cc1cc(C[NH2+]Cc2cncs2)c(C)n1-c1ccccc1 ZINC000127996237 1118577470 /nfs/dbraw/zinc/57/74/70/1118577470.db2.gz NYQUBVQFOZWDDG-UHFFFAOYSA-N 0 0 297.427 3.840 20 10 CHCDRN C[C@@H]([NH2+]CCCC(C)(F)F)c1cc(F)ccc1O ZINC000297383257 1118622200 /nfs/dbraw/zinc/62/22/00/1118622200.db2.gz RFGZXEUJCWKMHT-SECBINFHSA-N 0 0 261.287 3.617 20 10 CHCDRN COc1ccc(O)c(C[N@H+](C)Cc2cc3ccccc3o2)c1 ZINC000180482847 1128794227 /nfs/dbraw/zinc/79/42/27/1128794227.db2.gz IQSHGZFWIVBCLY-UHFFFAOYSA-N 0 0 297.354 3.779 20 10 CHCDRN CC1CC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000080249743 1118697732 /nfs/dbraw/zinc/69/77/32/1118697732.db2.gz VMNRNUYYGJQJPB-UHFFFAOYSA-N 0 0 260.164 3.587 20 10 CHCDRN COc1ccc(N(C)Cc2ncc(C)s2)cc1Cl ZINC000180541986 1128796321 /nfs/dbraw/zinc/79/63/21/1128796321.db2.gz ZQGZZQYQHVQCDY-UHFFFAOYSA-N 0 0 282.796 3.750 20 10 CHCDRN COc1cccc(CN2C[C@H](C)c3ccccc32)c1O ZINC000180675797 1128801345 /nfs/dbraw/zinc/80/13/45/1128801345.db2.gz OQSWKIBTCMGEDK-LBPRGKRZSA-N 0 0 269.344 3.525 20 10 CHCDRN Oc1ccccc1CNc1cc(C2CC2)nc(C2CC2)n1 ZINC000892160909 1118995223 /nfs/dbraw/zinc/99/52/23/1118995223.db2.gz DSUDDTMHMBPUSC-UHFFFAOYSA-N 0 0 281.359 3.549 20 10 CHCDRN COc1ccc(CNc2cccc(C)c2C)c(O)c1OC ZINC000892251851 1119051015 /nfs/dbraw/zinc/05/10/15/1119051015.db2.gz SDDHJZWSECRYDJ-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN CCC[C@@H](C)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000310039575 1119719707 /nfs/dbraw/zinc/71/97/07/1119719707.db2.gz XCFNGEDYZUNGIY-SNVBAGLBSA-N 0 0 286.213 3.681 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCCCF ZINC000309276827 1119855314 /nfs/dbraw/zinc/85/53/14/1119855314.db2.gz SFJBOPFTWBMLJL-UHFFFAOYSA-N 0 0 266.143 3.538 20 10 CHCDRN Cc1c(N[C@H](C)c2ccc3ccccc3c2O)cnn1C ZINC000186369092 1120036929 /nfs/dbraw/zinc/03/69/29/1120036929.db2.gz DPISPQQRKKIJOD-LLVKDONJSA-N 0 0 281.359 3.760 20 10 CHCDRN CCOc1ccc(O)c(CNc2cccc3ccn(C)c32)c1 ZINC000190906772 1128890946 /nfs/dbraw/zinc/89/09/46/1128890946.db2.gz SAUWEEGMRQUIKW-UHFFFAOYSA-N 0 0 296.370 3.895 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)OC1CCCC1 ZINC000314135281 1120171265 /nfs/dbraw/zinc/17/12/65/1120171265.db2.gz MEEVVUOZCXIAOA-UHFFFAOYSA-N 0 0 290.407 3.654 20 10 CHCDRN COc1cc(C)c(C)cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001238766221 1131243619 /nfs/dbraw/zinc/24/36/19/1131243619.db2.gz IUCPELAAKASFQP-UHFFFAOYSA-N 0 0 297.398 3.576 20 10 CHCDRN C[C@H]([NH2+]CCO[C@@H]1CCCC[C@H]1C)c1ccc(F)cc1[O-] ZINC000756443669 1120350278 /nfs/dbraw/zinc/35/02/78/1120350278.db2.gz TZXQCIPKWJCUDK-IIYDPXPESA-N 0 0 295.398 3.777 20 10 CHCDRN CC[C@@H]([NH2+]CCF)c1ccc(Cl)c(Cl)c1[O-] ZINC000309999797 1120386179 /nfs/dbraw/zinc/38/61/79/1120386179.db2.gz DMWQSBBGKRUUGV-SECBINFHSA-N 0 0 266.143 3.709 20 10 CHCDRN CC(C)CCn1ccc(N[C@@H](C)c2ccc(F)cc2O)n1 ZINC000186351697 1120396590 /nfs/dbraw/zinc/39/65/90/1120396590.db2.gz WDADXGFUUQMIKL-LBPRGKRZSA-N 0 0 291.370 3.947 20 10 CHCDRN COc1ccc(O)c([C@H](C)[NH2+]Cc2ccccc2Cl)c1 ZINC000019908281 1120544917 /nfs/dbraw/zinc/54/49/17/1120544917.db2.gz RZZNJYDVSGJLCI-NSHDSACASA-N 0 0 291.778 3.905 20 10 CHCDRN CCc1cc(NCc2cc(F)ccc2O)ccc1F ZINC000690134813 1120598203 /nfs/dbraw/zinc/59/82/03/1120598203.db2.gz GOBSKVLXTGQSMB-UHFFFAOYSA-N 0 0 263.287 3.845 20 10 CHCDRN CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])C1(C)C ZINC000756625358 1120623468 /nfs/dbraw/zinc/62/34/68/1120623468.db2.gz JWNNGRJIAQASAN-LQBHMHGISA-N 0 0 299.361 3.525 20 10 CHCDRN C[C@@H]([NH2+]CC[C@@H]1CC1(Cl)Cl)c1ccc(F)cc1[O-] ZINC000857082340 1120628121 /nfs/dbraw/zinc/62/81/21/1120628121.db2.gz MUBCFYKZHMIDPT-RKDXNWHRSA-N 0 0 292.181 3.766 20 10 CHCDRN COC1CCC(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756640824 1120651106 /nfs/dbraw/zinc/65/11/06/1120651106.db2.gz CXEIIBDARJLBCS-XSRFYTQQSA-N 0 0 299.361 3.526 20 10 CHCDRN CSCCCCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000186783179 1120664466 /nfs/dbraw/zinc/66/44/66/1120664466.db2.gz IFIPRVWNJPWKAT-LLVKDONJSA-N 0 0 271.401 3.715 20 10 CHCDRN CCCCCC[C@H](C)CC(=O)NCCc1ccc(N)cc1 ZINC000236713265 1120705126 /nfs/dbraw/zinc/70/51/26/1120705126.db2.gz VLSZNPZNPRWMOG-HNNXBMFYSA-N 0 0 290.451 3.924 20 10 CHCDRN CCC(CC)N(CC(C)C)C(=O)Nc1ccc(N)cc1 ZINC000093326108 1120782962 /nfs/dbraw/zinc/78/29/62/1120782962.db2.gz MGKPMWYPEWVDND-UHFFFAOYSA-N 0 0 277.412 3.947 20 10 CHCDRN C[C@H]([NH2+][C@H](c1cccnc1)C1CC1)c1ccc(F)cc1[O-] ZINC000756784638 1120848726 /nfs/dbraw/zinc/84/87/26/1120848726.db2.gz POLVDRQZFHHAEN-GTNSWQLSSA-N 0 0 286.350 3.728 20 10 CHCDRN Cc1ccc(/C=C/C(=O)N2CCCc3cccc(C)c32)cn1 ZINC000779472099 1128954510 /nfs/dbraw/zinc/95/45/10/1128954510.db2.gz POXAWNFKUSDHPB-ZHACJKMWSA-N 0 0 292.382 3.691 20 10 CHCDRN Cc1ccc(/C=C/C(=O)N(C)c2cccc(C)c2C)cn1 ZINC000779471714 1128954729 /nfs/dbraw/zinc/95/47/29/1128954729.db2.gz KQQNYGDENGFHNI-ZHACJKMWSA-N 0 0 280.371 3.683 20 10 CHCDRN CC(C)(C)C1CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001137831582 1121173954 /nfs/dbraw/zinc/17/39/54/1121173954.db2.gz GGEWVRYUGMLJAQ-UHFFFAOYSA-N 0 0 265.372 3.789 20 10 CHCDRN CS[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000702005812 1121178104 /nfs/dbraw/zinc/17/81/04/1121178104.db2.gz SLMRCBLBEJNAGO-WDEREUQCSA-N 0 0 292.231 3.683 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000702548621 1121204685 /nfs/dbraw/zinc/20/46/85/1121204685.db2.gz WBBUMAHDSKEPCQ-GXSJLCMTSA-N 0 0 273.298 3.760 20 10 CHCDRN COc1cc(N[C@@H](C)c2cc(F)ccc2O)cc(OC)c1 ZINC000094616635 1121215743 /nfs/dbraw/zinc/21/57/43/1121215743.db2.gz JGBQGIJNJXHBAU-JTQLQIEISA-N 0 0 291.322 3.722 20 10 CHCDRN COc1ccc(F)c(NCc2ccc(N(C)C)cc2)c1 ZINC000094854661 1121233236 /nfs/dbraw/zinc/23/32/36/1121233236.db2.gz QSWXVHDKSSRPMX-UHFFFAOYSA-N 0 0 274.339 3.512 20 10 CHCDRN C[C@H](Cc1ccccc1F)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756446469 1121237952 /nfs/dbraw/zinc/23/79/52/1121237952.db2.gz QPSQDWBRRJCHGM-NEPJUHHUSA-N 0 0 291.341 3.952 20 10 CHCDRN COc1ccc2c(c1)CCCCN2Cc1cncc(C)c1 ZINC000785477276 1121269184 /nfs/dbraw/zinc/26/91/84/1121269184.db2.gz AUYUJDPRYRPWPW-UHFFFAOYSA-N 0 0 282.387 3.742 20 10 CHCDRN Nc1ccc(Nc2cc(F)c(Cl)cc2F)cc1 ZINC001213941025 1121296147 /nfs/dbraw/zinc/29/61/47/1121296147.db2.gz HAIQLLXYLQZFOK-UHFFFAOYSA-N 0 0 254.667 3.944 20 10 CHCDRN COc1ccc(NCc2cccc(C)c2O)c(C)c1 ZINC000124633845 1121310526 /nfs/dbraw/zinc/31/05/26/1121310526.db2.gz SRJBQADBYNNKGS-UHFFFAOYSA-N 0 0 257.333 3.630 20 10 CHCDRN COc1cccc(N(C)c2ccc(N)cc2)c1Cl ZINC001175900841 1121493239 /nfs/dbraw/zinc/49/32/39/1121493239.db2.gz XRJWLYSJUJOMPV-UHFFFAOYSA-N 0 0 262.740 3.699 20 10 CHCDRN CCOc1ccc(N(C)C[C@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC001175946343 1121516006 /nfs/dbraw/zinc/51/60/06/1121516006.db2.gz IHKCIPSIPSURQG-FICVDOATSA-N 0 0 277.408 3.725 20 10 CHCDRN CC/C=C\COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000727046737 1121693218 /nfs/dbraw/zinc/69/32/18/1121693218.db2.gz HVZQHCQBCKBOOJ-YVMONPNESA-N 0 0 284.359 3.612 20 10 CHCDRN C[C@H](NC(=O)N(C)CC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773615554 1121714952 /nfs/dbraw/zinc/71/49/52/1121714952.db2.gz DXYIUKSSNZSPCU-ZDUSSCGKSA-N 0 0 291.439 3.501 20 10 CHCDRN C[C@H]1C[C@@H](CC(=O)NCc2ccccc2O)CC(C)(C)C1 ZINC000727486910 1121721803 /nfs/dbraw/zinc/72/18/03/1121721803.db2.gz UPSLIRDIFULHRQ-KBPBESRZSA-N 0 0 289.419 3.861 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CC=CCC1 ZINC001177542705 1121737643 /nfs/dbraw/zinc/73/76/43/1121737643.db2.gz RVWGNZBIODYPII-SNVBAGLBSA-N 0 0 269.747 3.631 20 10 CHCDRN CCc1ccc(N(CC)C(=O)/C=C/c2cncc(F)c2)cc1 ZINC000729313171 1121774561 /nfs/dbraw/zinc/77/45/61/1121774561.db2.gz OFCHQFHTCUJMMP-JXMROGBWSA-N 0 0 298.361 3.849 20 10 CHCDRN CCN(C)c1ccc(CN[C@](C)(CC)C(F)(F)F)cc1 ZINC000773770864 1121817469 /nfs/dbraw/zinc/81/74/69/1121817469.db2.gz FIMXLOPNZIFGCB-CQSZACIVSA-N 0 0 288.357 3.963 20 10 CHCDRN C/C=C/C=C\C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731016725 1121841440 /nfs/dbraw/zinc/84/14/40/1121841440.db2.gz WGAXTPMOOSCMCX-ICWBMWKASA-N 0 0 298.430 3.671 20 10 CHCDRN O=C(CC1CCCC1)NCc1c(O)ccc2ccccc21 ZINC001179029022 1121845515 /nfs/dbraw/zinc/84/55/15/1121845515.db2.gz HHPGGIDAHDHFOU-UHFFFAOYSA-N 0 0 283.371 3.742 20 10 CHCDRN Cc1cc(F)cc2c1N(C(=O)/C=C/c1cccnc1)CCC2 ZINC000731329640 1121861556 /nfs/dbraw/zinc/86/15/56/1121861556.db2.gz DNNRSRCWDHMVKL-VOTSOKGWSA-N 0 0 296.345 3.522 20 10 CHCDRN O=C(Nc1ccc(-c2ccccc2)cn1)C1=CC(=O)CS1 ZINC000731869679 1121889989 /nfs/dbraw/zinc/88/99/89/1121889989.db2.gz AYIBDFQIGDTXJY-UHFFFAOYSA-N 0 0 296.351 3.768 20 10 CHCDRN CC(C)C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000731867887 1121890198 /nfs/dbraw/zinc/89/01/98/1121890198.db2.gz AIHUCBBRAFJHKF-CQSZACIVSA-N 0 0 289.400 3.971 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C/C=C/c1cccc(F)c1 ZINC001179771440 1121906524 /nfs/dbraw/zinc/90/65/24/1121906524.db2.gz FHMYJKQMULRYKM-HWKANZROSA-N 0 0 291.753 3.988 20 10 CHCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H]1C1CCCCC1 ZINC000732273923 1121914159 /nfs/dbraw/zinc/91/41/59/1121914159.db2.gz GLQKFKWBWDTBMM-CYBMUJFWSA-N 0 0 279.405 3.639 20 10 CHCDRN CN(CCCCc1ccccc1)C(=O)C1=CC(=O)CS1 ZINC000732273189 1121914808 /nfs/dbraw/zinc/91/48/08/1121914808.db2.gz LLZLYTGVYWKDRV-UHFFFAOYSA-N 0 0 289.400 3.549 20 10 CHCDRN CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000732269243 1121916367 /nfs/dbraw/zinc/91/63/67/1121916367.db2.gz PEWYJQGZLGTBHV-NEPJUHHUSA-N 0 0 281.421 3.788 20 10 CHCDRN CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000732269247 1121916481 /nfs/dbraw/zinc/91/64/81/1121916481.db2.gz PEWYJQGZLGTBHV-RYUDHWBXSA-N 0 0 281.421 3.788 20 10 CHCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)c1ccc(F)cc1 ZINC000732352795 1121917538 /nfs/dbraw/zinc/91/75/38/1121917538.db2.gz HHEFPQJAIMUNOU-MRVPVSSYSA-N 0 0 266.293 3.511 20 10 CHCDRN CCN(Cc1ncc(C(C)C)o1)c1ccc(OC)cc1 ZINC000733308905 1121974416 /nfs/dbraw/zinc/97/44/16/1121974416.db2.gz UWQLLOFFYXLWRL-UHFFFAOYSA-N 0 0 274.364 3.833 20 10 CHCDRN CC[C@@H](OC(=O)c1ccc(C)c(O)c1O)c1ccccc1 ZINC000733476284 1121989762 /nfs/dbraw/zinc/98/97/62/1121989762.db2.gz NOAKDJWHKFWGNV-CQSZACIVSA-N 0 0 286.327 3.714 20 10 CHCDRN Cc1nnc([C@H](C)NCc2cc(C(C)C)ccc2O)s1 ZINC001180687275 1122007778 /nfs/dbraw/zinc/00/77/78/1122007778.db2.gz OQPWTTGTFMAETJ-JTQLQIEISA-N 0 0 291.420 3.526 20 10 CHCDRN [O-]c1cc(Cl)ccc1C[NH2+]C1(Cc2ccccc2)CC1 ZINC001180971032 1122027264 /nfs/dbraw/zinc/02/72/64/1122027264.db2.gz ZPDJDEGNFMFOSG-UHFFFAOYSA-N 0 0 287.790 3.911 20 10 CHCDRN CC(C)c1cnc(CN(C)c2ccc3c(c2)OCO3)s1 ZINC000183168456 1129031739 /nfs/dbraw/zinc/03/17/39/1129031739.db2.gz IZDRTJKDRXGCLC-UHFFFAOYSA-N 0 0 290.388 3.632 20 10 CHCDRN CC(C)c1ccccc1NC(=O)CCc1ccc(O)c(O)c1 ZINC001182153664 1122115944 /nfs/dbraw/zinc/11/59/44/1122115944.db2.gz DLIFHVLFFOLOHW-UHFFFAOYSA-N 0 0 299.370 3.793 20 10 CHCDRN C[C@H]([NH2+]C1CCC2(CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000774382140 1122158847 /nfs/dbraw/zinc/15/88/47/1122158847.db2.gz RQWUBMKLBDYLDD-NSHDSACASA-N 0 0 290.363 3.674 20 10 CHCDRN CC[C@@H](Nc1c(C)nn(C)c1C)c1ccc(N(C)C)cc1 ZINC000272075915 1122188693 /nfs/dbraw/zinc/18/86/93/1122188693.db2.gz KFSQCNMWWGHXLT-MRXNPFEDSA-N 0 0 286.423 3.666 20 10 CHCDRN Oc1cccc(Nc2c(F)ccc(Cl)c2F)c1O ZINC001250089631 1122189269 /nfs/dbraw/zinc/18/92/69/1122189269.db2.gz OGBCVNVHMCDHFY-UHFFFAOYSA-N 0 0 271.650 3.773 20 10 CHCDRN Cc1ccc(CNCC(F)(F)c2cccc(F)c2)c(O)c1 ZINC001182781295 1122189491 /nfs/dbraw/zinc/18/94/91/1122189491.db2.gz LHAARQLHWVFQQG-UHFFFAOYSA-N 0 0 295.304 3.721 20 10 CHCDRN C[C@H]([NH2+]C1(c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273486879 1122234848 /nfs/dbraw/zinc/23/48/48/1122234848.db2.gz NKHFLXAQCOJREM-LBPRGKRZSA-N 0 0 298.342 3.640 20 10 CHCDRN Cc1nn(C)c(C)c1N[C@H](C)c1ccc(C)c(C)c1O ZINC000273507583 1122236017 /nfs/dbraw/zinc/23/60/17/1122236017.db2.gz ZUQIVARULVSWDA-LLVKDONJSA-N 0 0 273.380 3.532 20 10 CHCDRN Cc1ccc(F)c(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001185275876 1122330171 /nfs/dbraw/zinc/33/01/71/1122330171.db2.gz XUCWBYIMXQARHL-LLVKDONJSA-N 0 0 288.322 3.722 20 10 CHCDRN Cc1cc(CNc2cnccn2)c(C)n1-c1cccc(C)c1 ZINC001187288177 1122424844 /nfs/dbraw/zinc/42/48/44/1122424844.db2.gz ABGNTZYRWWYJLR-UHFFFAOYSA-N 0 0 292.386 3.805 20 10 CHCDRN C[C@H](Nc1nc2c(cccc2F)o1)c1ccccc1O ZINC001187332890 1122425745 /nfs/dbraw/zinc/42/57/45/1122425745.db2.gz BUPKZHPPIVJBFU-VIFPVBQESA-N 0 0 272.279 3.846 20 10 CHCDRN [O-]c1c(F)cccc1C[NH2+]CC1CC(c2ccccc2)C1 ZINC000802659987 1122438360 /nfs/dbraw/zinc/43/83/60/1122438360.db2.gz UPCGTDSVMYXNCU-UHFFFAOYSA-N 0 0 285.362 3.815 20 10 CHCDRN COC(=O)/C=C(\C)CSc1ncc(C(C)(C)C)s1 ZINC001188940152 1122482039 /nfs/dbraw/zinc/48/20/39/1122482039.db2.gz IDRWUAFAKJRMFN-RMKNXTFCSA-N 0 0 285.434 3.652 20 10 CHCDRN Cc1ccc(O)c(CNc2cc3c(cc2Cl)OCO3)c1 ZINC000071407402 1129062383 /nfs/dbraw/zinc/06/23/83/1129062383.db2.gz QTMJTTQBJDNWQE-UHFFFAOYSA-N 0 0 291.734 3.695 20 10 CHCDRN C[C@H](NCc1ccc(N2CCC(C)CC2)cc1)c1ncco1 ZINC000925010910 1122572632 /nfs/dbraw/zinc/57/26/32/1122572632.db2.gz IOUMVZNNZJIKJD-HNNXBMFYSA-N 0 0 299.418 3.762 20 10 CHCDRN CCN1C(=O)/C(=C\c2ccc(Cl)c(C)c2)SC1=S ZINC000779708379 1129063617 /nfs/dbraw/zinc/06/36/17/1129063617.db2.gz UYQCOORKZIVCBR-YRNVUSSQSA-N 0 0 297.832 3.870 20 10 CHCDRN COc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)c1ccccc1O ZINC000183560041 1129066037 /nfs/dbraw/zinc/06/60/37/1129066037.db2.gz MPTHHTBVZDFVSB-LRDDRELGSA-N 0 0 283.371 3.739 20 10 CHCDRN CCCCCCNC(=O)N(CC)Cc1ccccc1O ZINC001191970755 1122624907 /nfs/dbraw/zinc/62/49/07/1122624907.db2.gz HQSRLPYFTPCOOI-UHFFFAOYSA-N 0 0 278.396 3.504 20 10 CHCDRN O=C(NCc1ccccc1O)Nc1ccc2sccc2c1 ZINC001192456699 1122647876 /nfs/dbraw/zinc/64/78/76/1122647876.db2.gz LLCFZLDGWKARNZ-UHFFFAOYSA-N 0 0 298.367 3.929 20 10 CHCDRN CCc1cccc(C(=O)NCc2c(C)cc(C)cc2O)c1 ZINC001192984118 1122667233 /nfs/dbraw/zinc/66/72/33/1122667233.db2.gz ZDONFGXDBDADPO-UHFFFAOYSA-N 0 0 283.371 3.501 20 10 CHCDRN COc1cccc(N[C@@H]2CCc3cccc(O)c32)c1F ZINC000689987752 1122688555 /nfs/dbraw/zinc/68/85/55/1122688555.db2.gz OXXLVLPYKVRHLY-LLVKDONJSA-N 0 0 273.307 3.639 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc2C1)c1ccccc1O ZINC001168407203 1122733868 /nfs/dbraw/zinc/73/38/68/1122733868.db2.gz NAFJPCSGNKHPBN-WBMJQRKESA-N 0 0 285.362 3.739 20 10 CHCDRN CC[C@H](CC(=O)NCc1ccc(N)cc1)c1ccc(C)cc1 ZINC000297293812 1122792087 /nfs/dbraw/zinc/79/20/87/1122792087.db2.gz UZIIDESPYPJGBY-MRXNPFEDSA-N 0 0 296.414 3.777 20 10 CHCDRN CC[C@@H](C)COC(=O)NCc1cc2ccccc2cc1O ZINC001194824205 1122809892 /nfs/dbraw/zinc/80/98/92/1122809892.db2.gz SOAKZZIYFWTXRN-GFCCVEGCSA-N 0 0 287.359 3.818 20 10 CHCDRN CC[C@@H](Nc1ccc(OC)nc1)c1ccc(N(C)C)cc1 ZINC000775619904 1122818919 /nfs/dbraw/zinc/81/89/19/1122818919.db2.gz TZLJKYWBZCLSQI-MRXNPFEDSA-N 0 0 285.391 3.719 20 10 CHCDRN C[C@H](CC(=O)N(C)Cc1ccccc1O)C1CCCCC1 ZINC000101645723 1122842057 /nfs/dbraw/zinc/84/20/57/1122842057.db2.gz DMEKQHHUKQOBPV-CQSZACIVSA-N 0 0 289.419 3.957 20 10 CHCDRN CC[C@@H](C)OC(=O)NCc1cc2ccccc2cc1O ZINC001195155850 1122851044 /nfs/dbraw/zinc/85/10/44/1122851044.db2.gz DCAYNAWUXLMVIN-LLVKDONJSA-N 0 0 273.332 3.570 20 10 CHCDRN C[C@@H](NC(=S)Nc1ccccc1F)c1ccccc1O ZINC001195792397 1122889201 /nfs/dbraw/zinc/88/92/01/1122889201.db2.gz KVVPRQYMQUNVGJ-SNVBAGLBSA-N 0 0 290.363 3.579 20 10 CHCDRN Cc1cccc(NC(=S)Nc2cccc(O)c2O)c1C ZINC001196417953 1122922260 /nfs/dbraw/zinc/92/22/60/1122922260.db2.gz BFXIBTCJVLTBNY-UHFFFAOYSA-N 0 0 288.372 3.524 20 10 CHCDRN CSC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775725233 1122926246 /nfs/dbraw/zinc/92/62/46/1122926246.db2.gz VPOBTMTUAFUWHB-NSHDSACASA-N 0 0 289.803 3.512 20 10 CHCDRN Cc1cc(C)cc(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001197402823 1122954901 /nfs/dbraw/zinc/95/49/01/1122954901.db2.gz VXWOQKKHOPOZBX-CYBMUJFWSA-N 0 0 284.359 3.892 20 10 CHCDRN C[C@@H](NCc1nc2ccccc2o1)c1ccc(N(C)C)cc1 ZINC000775833773 1122987300 /nfs/dbraw/zinc/98/73/00/1122987300.db2.gz LUTPUZLUVZMFJA-CYBMUJFWSA-N 0 0 295.386 3.745 20 10 CHCDRN Cc1cc(C)c(O)c(C[N@H+](C)Cc2ccccc2F)c1 ZINC000216024527 1123020013 /nfs/dbraw/zinc/02/00/13/1123020013.db2.gz VTDRHYIWUWZKCM-UHFFFAOYSA-N 0 0 273.351 3.780 20 10 CHCDRN Cc1ccc(CNC(=S)Nc2cccc(Cl)c2)nc1 ZINC001201108379 1123073516 /nfs/dbraw/zinc/07/35/16/1123073516.db2.gz JDJJIHKBICQOSH-UHFFFAOYSA-N 0 0 291.807 3.530 20 10 CHCDRN CC(C)Nc1ccc(Nc2cccc3c2C(=O)NCC3)cc1 ZINC001201499992 1123112600 /nfs/dbraw/zinc/11/26/00/1123112600.db2.gz VHPDGQQDVWUTPY-UHFFFAOYSA-N 0 0 295.386 3.536 20 10 CHCDRN CONC(=O)c1ccccc1Nc1ccc(NC(C)C)cc1 ZINC001201505942 1123113016 /nfs/dbraw/zinc/11/30/16/1123113016.db2.gz STTPEGYAJZYYPS-UHFFFAOYSA-N 0 0 299.374 3.542 20 10 CHCDRN C[C@H](NC(=O)Nc1ccccc1Cl)c1ccccc1O ZINC001202067384 1123172127 /nfs/dbraw/zinc/17/21/27/1123172127.db2.gz XSMYOVDAULOSHN-JTQLQIEISA-N 0 0 290.750 3.928 20 10 CHCDRN CCC[C@@H](C)N(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776237207 1123173920 /nfs/dbraw/zinc/17/39/20/1123173920.db2.gz FHJHGRWAPZVIKV-KGLIPLIRSA-N 0 0 291.439 3.644 20 10 CHCDRN CCN(Cc1ccccc1O)C(=O)Nc1cccc(C)c1 ZINC001202312300 1123194930 /nfs/dbraw/zinc/19/49/30/1123194930.db2.gz BZVNVTQRDPXUKH-UHFFFAOYSA-N 0 0 284.359 3.755 20 10 CHCDRN CC(F)(F)C(C)(C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000696587660 1123216447 /nfs/dbraw/zinc/21/64/47/1123216447.db2.gz UWZVFOFOGHUTMA-UHFFFAOYSA-N 0 0 277.742 3.817 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@H](C)C1 ZINC000776451595 1123233595 /nfs/dbraw/zinc/23/35/95/1123233595.db2.gz XIIBVCDCFIIMPN-GOEBONIOSA-N 0 0 288.435 3.537 20 10 CHCDRN Clc1cnc(SCc2cccc3c2OCCO3)s1 ZINC000849999370 1123235980 /nfs/dbraw/zinc/23/59/80/1123235980.db2.gz PSNJOIJKZOYXRN-UHFFFAOYSA-N 0 0 299.804 3.860 20 10 CHCDRN Cc1cccc(CCSc2ncc(Cl)s2)n1 ZINC000850002072 1123236652 /nfs/dbraw/zinc/23/66/52/1123236652.db2.gz REALKXJKYPXVAG-UHFFFAOYSA-N 0 0 270.810 3.835 20 10 CHCDRN Cc1nc(C)c(CSc2ncc(Cl)s2)o1 ZINC000850000271 1123236988 /nfs/dbraw/zinc/23/69/88/1123236988.db2.gz OPKDGMRLDZDZMH-UHFFFAOYSA-N 0 0 260.771 3.694 20 10 CHCDRN CCc1noc(C)c1CSc1ncc(Cl)s1 ZINC000850000580 1123237066 /nfs/dbraw/zinc/23/70/66/1123237066.db2.gz ZQTQRDPGGZDCCU-UHFFFAOYSA-N 0 0 274.798 3.948 20 10 CHCDRN CC[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1cccc(Cl)c1[O-] ZINC000850524057 1123279628 /nfs/dbraw/zinc/27/96/28/1123279628.db2.gz SZFBLPIMAQDBAA-BXUZGUMPSA-N 0 0 295.810 3.798 20 10 CHCDRN C[C@H]([NH2+]CCCOC(C)(C)C)c1ccc(Cl)cc1[O-] ZINC000850524587 1123281268 /nfs/dbraw/zinc/28/12/68/1123281268.db2.gz COKGCKODLVKMRF-NSHDSACASA-N 0 0 285.815 3.901 20 10 CHCDRN C[C@@H]([NH2+]CCc1ccoc1)c1cccc(C(F)(F)F)c1[O-] ZINC000850532851 1123285867 /nfs/dbraw/zinc/28/58/67/1123285867.db2.gz YGPZBDRVMSIZQZ-SNVBAGLBSA-N 0 0 299.292 3.897 20 10 CHCDRN CC[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc(F)cc1[O-] ZINC000850537595 1123288388 /nfs/dbraw/zinc/28/83/88/1123288388.db2.gz WEGUNKDZUSUGLR-WCQYABFASA-N 0 0 273.298 3.617 20 10 CHCDRN CO[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C1CCCC1 ZINC000850561429 1123291701 /nfs/dbraw/zinc/29/17/01/1123291701.db2.gz JNBKNQUMZZLFAQ-BONVTDFDSA-N 0 0 299.361 3.526 20 10 CHCDRN CO[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])C1CCCC1 ZINC000850561431 1123291753 /nfs/dbraw/zinc/29/17/53/1123291753.db2.gz JNBKNQUMZZLFAQ-ZUZCIYMTSA-N 0 0 299.361 3.526 20 10 CHCDRN C[C@@H](NCC(F)(F)C(C)(C)C)c1ccc(F)cc1O ZINC000850571989 1123295101 /nfs/dbraw/zinc/29/51/01/1123295101.db2.gz GBZPXXRRIOZKNS-SECBINFHSA-N 0 0 275.314 3.863 20 10 CHCDRN CC(C)(C)C(F)(F)CN[C@@H]1CCc2cccc(O)c21 ZINC000850572258 1123295560 /nfs/dbraw/zinc/29/55/60/1123295560.db2.gz IYLRHFOKPSLYRE-LLVKDONJSA-N 0 0 269.335 3.651 20 10 CHCDRN CCC(=O)CCCSc1ncc(-c2ccccc2)n1C ZINC000183854146 1129115823 /nfs/dbraw/zinc/11/58/23/1129115823.db2.gz BOWMNJFJPQZTSJ-UHFFFAOYSA-N 0 0 288.416 3.939 20 10 CHCDRN C[C@H](CCc1ccco1)[NH2+]Cc1cc(Cl)ccc1O ZINC000020144931 1123365204 /nfs/dbraw/zinc/36/52/04/1123365204.db2.gz ZBYGWLJQSXFYOY-LLVKDONJSA-N 0 0 279.767 3.750 20 10 CHCDRN Nc1ccc(NC(=O)c2cc3ccc(F)cc3s2)cc1 ZINC000110408762 1123398210 /nfs/dbraw/zinc/39/82/10/1123398210.db2.gz BXMVCRKPIRZAPP-UHFFFAOYSA-N 0 0 286.331 3.875 20 10 CHCDRN C[C@@H]1COC2(CCC2)C[N@@H+]1Cc1c(O)ccc2ccccc21 ZINC000853542761 1123443046 /nfs/dbraw/zinc/44/30/46/1123443046.db2.gz UHUAVDYPRULLSW-CQSZACIVSA-N 0 0 297.398 3.689 20 10 CHCDRN [O-]c1c(C[NH2+]CC[C@@H]2CCCC2(F)F)ccc(F)c1F ZINC000895545658 1123491356 /nfs/dbraw/zinc/49/13/56/1123491356.db2.gz VMBTVRBHEFUVQO-JTQLQIEISA-N 0 0 291.288 3.586 20 10 CHCDRN CCN(C(=O)/C=C/c1scnc1C)c1cccc(C)c1 ZINC000776761867 1123500108 /nfs/dbraw/zinc/50/01/08/1123500108.db2.gz ODWDRQIIJYGEPP-CMDGGOBGSA-N 0 0 286.400 3.826 20 10 CHCDRN Cc1ncsc1/C=C/C(=O)N(C)c1cc(C)cc(C)c1 ZINC000776788036 1123505923 /nfs/dbraw/zinc/50/59/23/1123505923.db2.gz ZPOKNQFQQPZSJA-AATRIKPKSA-N 0 0 286.400 3.745 20 10 CHCDRN Cc1csc([C@H](C)NCc2ccc(N(C)C)c(F)c2)n1 ZINC000113334665 1123521508 /nfs/dbraw/zinc/52/15/08/1123521508.db2.gz KRQJTFKSPAXPDX-NSHDSACASA-N 0 0 293.411 3.507 20 10 CHCDRN CC[C@@H](Nc1cnn(CCF)c1)c1cccc(Cl)c1O ZINC000858492334 1123657655 /nfs/dbraw/zinc/65/76/55/1123657655.db2.gz WBNYRGMYTNUCHM-CYBMUJFWSA-N 0 0 297.761 3.775 20 10 CHCDRN CC[C@@H](NCC(F)(F)CC)c1ccc(F)cc1O ZINC000858506252 1123658362 /nfs/dbraw/zinc/65/83/62/1123658362.db2.gz DQRVGALEDYEOSH-LLVKDONJSA-N 0 0 261.287 3.617 20 10 CHCDRN COCc1ccc(N[C@H](C)c2ccccc2O)cc1OC ZINC000858567869 1123663087 /nfs/dbraw/zinc/66/30/87/1123663087.db2.gz LOCSUEUYRDISCG-GFCCVEGCSA-N 0 0 287.359 3.720 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1ccns1)c1cc(F)cc(F)c1[O-] ZINC000858575532 1123663937 /nfs/dbraw/zinc/66/39/37/1123663937.db2.gz AETKFYDQVOSCMV-SFYZADRCSA-N 0 0 284.331 3.539 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)c1ccns1)c1ccc(F)cc1[O-] ZINC000858577668 1123664786 /nfs/dbraw/zinc/66/47/86/1123664786.db2.gz UNZOSWGHYOXFLG-BXKDBHETSA-N 0 0 280.368 3.790 20 10 CHCDRN Cc1c(Cl)cccc1C(=O)N(C)Cc1ccccc1O ZINC000194749302 1129138482 /nfs/dbraw/zinc/13/84/82/1129138482.db2.gz RIIRJEHQZWNGGJ-UHFFFAOYSA-N 0 0 289.762 3.626 20 10 CHCDRN Cc1cc(C[N@H+]2CCC(F)(F)C[C@@H]2C)ccc1N(C)C ZINC000859836911 1123713133 /nfs/dbraw/zinc/71/31/33/1123713133.db2.gz BXAKTAHMNVWEQT-ZDUSSCGKSA-N 0 0 282.378 3.681 20 10 CHCDRN C[C@@H](Nc1cncc(Br)c1)c1ccccc1O ZINC000117841550 1123759839 /nfs/dbraw/zinc/75/98/39/1123759839.db2.gz YNIDBTYCWHDSCP-SECBINFHSA-N 0 0 293.164 3.723 20 10 CHCDRN O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(O)c1O ZINC000013555565 1123774904 /nfs/dbraw/zinc/77/49/04/1123774904.db2.gz LJZHWKWFAUIDOV-UHFFFAOYSA-N 0 0 298.125 3.657 20 10 CHCDRN CSCC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000896940624 1123790994 /nfs/dbraw/zinc/79/09/94/1123790994.db2.gz IQJSMPUFJFHFMM-UHFFFAOYSA-N 0 0 285.840 3.621 20 10 CHCDRN CCc1nc(CN2CCCc3cc(OC)ccc32)cs1 ZINC000862216124 1123793443 /nfs/dbraw/zinc/79/34/43/1123793443.db2.gz YPQXFOKKKSIHNA-UHFFFAOYSA-N 0 0 288.416 3.667 20 10 CHCDRN CCCCCNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000195557966 1129146809 /nfs/dbraw/zinc/14/68/09/1129146809.db2.gz OQDYMWXLMZVPCJ-UHFFFAOYSA-N 0 0 291.439 3.522 20 10 CHCDRN CCc1cc(Cl)cnc1NCc1cccc(OC)c1O ZINC000862533025 1123816181 /nfs/dbraw/zinc/81/61/81/1123816181.db2.gz JAIDNYFSGDSOOQ-UHFFFAOYSA-N 0 0 292.766 3.624 20 10 CHCDRN CCc1cc(Cl)cnc1NCc1cc(OC)ccc1O ZINC000862534080 1123816746 /nfs/dbraw/zinc/81/67/46/1123816746.db2.gz UXGGRJSFICNFNM-UHFFFAOYSA-N 0 0 292.766 3.624 20 10 CHCDRN CC[C@H]1CCCC[C@H]1C(=O)NCc1cc(C)ccc1O ZINC000862755101 1123827377 /nfs/dbraw/zinc/82/73/77/1123827377.db2.gz CXGSKMYJGXAVPI-DZGCQCFKSA-N 0 0 275.392 3.533 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2CCC[C@@H](C)C2)c1 ZINC000862759264 1123827709 /nfs/dbraw/zinc/82/77/09/1123827709.db2.gz ZPKQWSPGZHCJIN-OCCSQVGLSA-N 0 0 275.392 3.533 20 10 CHCDRN Cc1cc(CNC(=O)C2(C)CC2)c(C)n1-c1ccccc1 ZINC000863165648 1123849504 /nfs/dbraw/zinc/84/95/04/1123849504.db2.gz JNJHZECKQVPVKJ-UHFFFAOYSA-N 0 0 282.387 3.510 20 10 CHCDRN C[C@@H](Sc1ncc(Cl)s1)C1CCOCC1 ZINC000863348520 1123862469 /nfs/dbraw/zinc/86/24/69/1123862469.db2.gz ZEGBNBQSCPWCKF-SSDOTTSWSA-N 0 0 263.815 3.704 20 10 CHCDRN CC(C)(C)c1cc(O)c(O)c(CN(CC(F)F)C2CC2)c1 ZINC000106856844 1123864792 /nfs/dbraw/zinc/86/47/92/1123864792.db2.gz BWLGMJNWFUVPSB-UHFFFAOYSA-N 0 0 299.361 3.625 20 10 CHCDRN CN(C)c1ccc(OCc2cccnc2C(F)(F)F)cc1 ZINC000863469606 1123871730 /nfs/dbraw/zinc/87/17/30/1123871730.db2.gz FNWZNEXWGDZIFB-UHFFFAOYSA-N 0 0 296.292 3.745 20 10 CHCDRN CN(C(=O)/C=C\c1cccnc1)c1ccc2ccccc2c1 ZINC000864046856 1123913666 /nfs/dbraw/zinc/91/36/66/1123913666.db2.gz BIYJXVBYSWBROZ-FLIBITNWSA-N 0 0 288.350 3.911 20 10 CHCDRN CC[N@@H+](Cc1c(O)ccc2ccncc21)CC1CCC1 ZINC000794682673 1123926930 /nfs/dbraw/zinc/92/69/30/1123926930.db2.gz JIZCCWZJCCNHFD-UHFFFAOYSA-N 0 0 270.376 3.562 20 10 CHCDRN CCCn1cc(N[C@@H](CC)c2ccc(C)cc2O)cn1 ZINC000794816154 1123958641 /nfs/dbraw/zinc/95/86/41/1123958641.db2.gz XHLUTTNYUAVBKU-HNNXBMFYSA-N 0 0 273.380 3.870 20 10 CHCDRN COC1(C[NH2+][C@H](C)c2ccc(F)cc2[O-])CCC(C)CC1 ZINC000794831413 1123962047 /nfs/dbraw/zinc/96/20/47/1123962047.db2.gz DFVLMWOAMFLCTC-UIORMTCPSA-N 0 0 295.398 3.777 20 10 CHCDRN CC(C)c1nccc(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302336362 1123966929 /nfs/dbraw/zinc/96/69/29/1123966929.db2.gz AWTVRFSRUKUFDZ-ZDUSSCGKSA-N 0 0 284.407 3.839 20 10 CHCDRN CN(Cc1ccccc1O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302682291 1123977112 /nfs/dbraw/zinc/97/71/12/1123977112.db2.gz XGTJZFUTIHPVCC-UHFFFAOYSA-N 0 0 292.722 3.590 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)C1(OC)CCC1)c1ccc(F)cc1[O-] ZINC000840884350 1123995779 /nfs/dbraw/zinc/99/57/79/1123995779.db2.gz KWDRIGCBTUJNKM-FZMZJTMJSA-N 0 0 281.371 3.530 20 10 CHCDRN CN(C)c1ccc(CNc2cccc3c2OCCCO3)cc1 ZINC000865853511 1124021209 /nfs/dbraw/zinc/02/12/09/1124021209.db2.gz VBUAVONQUIEZHD-UHFFFAOYSA-N 0 0 298.386 3.526 20 10 CHCDRN C[C@@H](Nc1cc(Cl)nc(C2CC2)n1)c1ccccc1O ZINC000866238470 1124040955 /nfs/dbraw/zinc/04/09/55/1124040955.db2.gz OSNHYEZTZFNFNL-SECBINFHSA-N 0 0 289.766 3.886 20 10 CHCDRN CC[C@H](Nc1cnn2c1CCCC2)c1ccc(F)cc1O ZINC000866459597 1124068758 /nfs/dbraw/zinc/06/87/58/1124068758.db2.gz AGNDPRVZAGGPLH-ZDUSSCGKSA-N 0 0 289.354 3.627 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1ccnn1C)c1cccc(Cl)c1[O-] ZINC000866612646 1124088372 /nfs/dbraw/zinc/08/83/72/1124088372.db2.gz ATPDXRMWBKZDRD-MFKMUULPSA-N 0 0 293.798 3.581 20 10 CHCDRN CN(C)c1ccc(/C=C\c2ccncn2)c(C(F)(F)F)c1 ZINC000794947539 1124095304 /nfs/dbraw/zinc/09/53/04/1124095304.db2.gz XRXKULHCPYOKRG-HYXAFXHYSA-N 0 0 293.292 3.732 20 10 CHCDRN COc1cc2c(cc1NCC1(O)CCC1)oc1ccccc12 ZINC000819397094 1131244438 /nfs/dbraw/zinc/24/44/38/1131244438.db2.gz ACHNWYNRIFRRNM-UHFFFAOYSA-N 0 0 297.354 3.922 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F)c1c([O-])cccc1F ZINC001119438114 1131254703 /nfs/dbraw/zinc/25/47/03/1131254703.db2.gz IDHXFZLHOWTOHD-ZRUFSTJUSA-N 0 0 285.309 3.616 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)C(F)=C1CCC1 ZINC000819524411 1131254794 /nfs/dbraw/zinc/25/47/94/1131254794.db2.gz KZVJLFWKZPRWES-UHFFFAOYSA-N 0 0 291.366 3.928 20 10 CHCDRN CCc1onc(C)c1NCc1ccc(N2CCCC2)cc1 ZINC001119678752 1131262152 /nfs/dbraw/zinc/26/21/52/1131262152.db2.gz OFUAWKXGTILDNY-UHFFFAOYSA-N 0 0 285.391 3.758 20 10 CHCDRN Cc1ccccc1[C@@H](C)NC(=O)N[C@H](C)c1ccccc1O ZINC000868983298 1124494756 /nfs/dbraw/zinc/49/47/56/1124494756.db2.gz BRDFSUXDDJLCGN-ZIAGYGMSSA-N 0 0 298.386 3.822 20 10 CHCDRN O=C(N[C@@H]1CCC[C@@H]1c1ccccc1)C1=CC(=O)CS1 ZINC000869577861 1124520090 /nfs/dbraw/zinc/52/00/90/1124520090.db2.gz NUEZXAGXRJAMNG-ZIAGYGMSSA-N 0 0 287.384 3.520 20 10 CHCDRN CC(C)CC(CC(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871204581 1124602196 /nfs/dbraw/zinc/60/21/96/1124602196.db2.gz HCVRJTUKPHLFKH-UHFFFAOYSA-N 0 0 289.419 3.943 20 10 CHCDRN CC1(C)CCCC[C@H]1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871203667 1124602475 /nfs/dbraw/zinc/60/24/75/1124602475.db2.gz PMHVSASYRKDXJB-AWEZNQCLSA-N 0 0 287.403 3.841 20 10 CHCDRN Cc1ccccc1C(C)(C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871200413 1124602562 /nfs/dbraw/zinc/60/25/62/1124602562.db2.gz BPYXTPFHWXVDIQ-UHFFFAOYSA-N 0 0 295.382 3.521 20 10 CHCDRN CCC[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871197327 1124602771 /nfs/dbraw/zinc/60/27/71/1124602771.db2.gz AAEHEORENFXCCU-INIZCTEOSA-N 0 0 295.382 3.818 20 10 CHCDRN FC(F)Cn1ccnc1CSc1ncc(Cl)s1 ZINC000871677615 1124624780 /nfs/dbraw/zinc/62/47/80/1124624780.db2.gz AUHFEERBNMWZGB-UHFFFAOYSA-N 0 0 295.767 3.550 20 10 CHCDRN CCCOc1ccccc1NCc1nccn1CC(F)F ZINC000871804882 1124638803 /nfs/dbraw/zinc/63/88/03/1124638803.db2.gz HYVCARODKYQJQP-UHFFFAOYSA-N 0 0 295.333 3.549 20 10 CHCDRN CCOc1cccc(CNc2ccccc2NC(C)C)n1 ZINC000871846063 1124645362 /nfs/dbraw/zinc/64/53/62/1124645362.db2.gz PIWPNNGJJDOEDH-UHFFFAOYSA-N 0 0 285.391 3.913 20 10 CHCDRN Cc1cc(O)c(CNc2nc(C(C)C)ns2)cc1C ZINC000871865066 1124648762 /nfs/dbraw/zinc/64/87/62/1124648762.db2.gz FADADIRXDOIJFU-UHFFFAOYSA-N 0 0 277.393 3.596 20 10 CHCDRN CCn1ncc(N[C@@H]2C[C@@H](C)c3c2c(O)ccc3F)c1C ZINC000872138266 1124694348 /nfs/dbraw/zinc/69/43/48/1124694348.db2.gz UMSIZPKBQCVNLM-BXKDBHETSA-N 0 0 289.354 3.717 20 10 CHCDRN Cc1cc(N)cc(NCc2cc(C)c(C)cc2O)c1 ZINC000873215587 1124752778 /nfs/dbraw/zinc/75/27/78/1124752778.db2.gz DEWMIRLZVSMPST-UHFFFAOYSA-N 0 0 256.349 3.512 20 10 CHCDRN Cc1cc(N2CCCCC2)ccc1/C=C/C(C)(C)O ZINC001239161305 1131304073 /nfs/dbraw/zinc/30/40/73/1131304073.db2.gz OBVKTPDCKZKWDS-MDZDMXLPSA-N 0 0 259.393 3.769 20 10 CHCDRN CC[C@H](CC(C)C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000825737284 1124830910 /nfs/dbraw/zinc/83/09/10/1124830910.db2.gz XVUHBWXQZLJJAB-CHWSQXEVSA-N 0 0 293.407 3.650 20 10 CHCDRN CC[C@@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000875176836 1124882378 /nfs/dbraw/zinc/88/23/78/1124882378.db2.gz WMULCGGQWIUYNN-MRXNPFEDSA-N 0 0 296.370 3.569 20 10 CHCDRN CC[C@H](NC(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000875176835 1124882481 /nfs/dbraw/zinc/88/24/81/1124882481.db2.gz WMULCGGQWIUYNN-INIZCTEOSA-N 0 0 296.370 3.569 20 10 CHCDRN Cc1cccc(O)c1CNc1ccc(NC(=O)C(C)C)cc1 ZINC000876820162 1124980696 /nfs/dbraw/zinc/98/06/96/1124980696.db2.gz LQGKEMQVZDIHLO-UHFFFAOYSA-N 0 0 298.386 3.907 20 10 CHCDRN COc1ccc(C)cc1NCc1c(C)cccc1O ZINC000876837122 1124984079 /nfs/dbraw/zinc/98/40/79/1124984079.db2.gz FVUYPHDLQAMCDX-UHFFFAOYSA-N 0 0 257.333 3.630 20 10 CHCDRN Cc1ccc(C[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)c(O)c1 ZINC000877038526 1125000249 /nfs/dbraw/zinc/00/02/49/1125000249.db2.gz RFFNLOMFAPCNCZ-WBVHZDCISA-N 0 0 291.435 3.632 20 10 CHCDRN CCc1nc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])cs1 ZINC000877045917 1125001572 /nfs/dbraw/zinc/00/15/72/1125001572.db2.gz GBEAHGYZROJHST-MRVPVSSYSA-N 0 0 298.358 3.540 20 10 CHCDRN CC[C@@H](NC(=O)Cc1ccc(N)cc1)c1cc(C)ccc1C ZINC000877065412 1125004894 /nfs/dbraw/zinc/00/48/94/1125004894.db2.gz MLOHMOWOGVAZJO-GOSISDBHSA-N 0 0 296.414 3.696 20 10 CHCDRN CC(C)[C@H](Cc1ccccc1)C(=O)N(C)c1ccc(N)cc1 ZINC000877078107 1125006459 /nfs/dbraw/zinc/00/64/59/1125006459.db2.gz DDJLKCRBPCEQBR-SFHVURJKSA-N 0 0 296.414 3.747 20 10 CHCDRN CC(C)CCCCCC(=O)N(C)c1ccc(N)cc1 ZINC000877078046 1125006748 /nfs/dbraw/zinc/00/67/48/1125006748.db2.gz ASDKUKCDZDNGDH-UHFFFAOYSA-N 0 0 262.397 3.838 20 10 CHCDRN COc1cc(NCc2c(C)cccc2O)cc(OC)c1C ZINC000877547966 1125043012 /nfs/dbraw/zinc/04/30/12/1125043012.db2.gz BABTVLMFHDDZRB-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN COc1ccc(CN2Cc3cccc(O)c3C2)cc1Cl ZINC000877702812 1125065853 /nfs/dbraw/zinc/06/58/53/1125065853.db2.gz ILWRUJDZJFTYPO-UHFFFAOYSA-N 0 0 289.762 3.570 20 10 CHCDRN CN(C)c1ccc(OCc2coc(C(C)(C)C)n2)cc1 ZINC000877880484 1125095457 /nfs/dbraw/zinc/09/54/57/1125095457.db2.gz CFLXLQPCWWRDAS-UHFFFAOYSA-N 0 0 274.364 3.617 20 10 CHCDRN COc1ccc2c(c1)CCN2Cc1csc(C2CC2)n1 ZINC000127695953 1125210510 /nfs/dbraw/zinc/21/05/10/1125210510.db2.gz DLVWQZYINOZADS-UHFFFAOYSA-N 0 0 286.400 3.592 20 10 CHCDRN Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000211442640 1125306172 /nfs/dbraw/zinc/30/61/72/1125306172.db2.gz MTUKZRQVZJZBKJ-RISCZKNCSA-N 0 0 265.784 3.810 20 10 CHCDRN C[C@@H]1C[NH+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H]1C ZINC000211661275 1125315156 /nfs/dbraw/zinc/31/51/56/1125315156.db2.gz OFBKEOORXAFINP-RKDXNWHRSA-N 0 0 274.191 3.787 20 10 CHCDRN Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000882935219 1125362394 /nfs/dbraw/zinc/36/23/94/1125362394.db2.gz JQMXEULKJXJWEP-INIZCTEOSA-N 0 0 289.325 3.756 20 10 CHCDRN COc1ccc([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000882941867 1125363302 /nfs/dbraw/zinc/36/33/02/1125363302.db2.gz CTLRNIPESXKMKE-SNVBAGLBSA-N 0 0 293.313 3.530 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C1(c2cccc(F)c2)CC1 ZINC000883016411 1125368544 /nfs/dbraw/zinc/36/85/44/1125368544.db2.gz YLRVELYQJGKZQP-UHFFFAOYSA-N 0 0 293.288 3.588 20 10 CHCDRN CC(C)c1csc(C[NH2+]Cc2cc(F)cc(F)c2[O-])n1 ZINC000883047713 1125369696 /nfs/dbraw/zinc/36/96/96/1125369696.db2.gz YJTQOKANFMSLQH-UHFFFAOYSA-N 0 0 298.358 3.540 20 10 CHCDRN CC[C@H](C)n1nc(NCc2cc(F)cc(F)c2O)cc1C ZINC000883083144 1125370930 /nfs/dbraw/zinc/37/09/30/1125370930.db2.gz BCVWANRSGAPBFP-VIFPVBQESA-N 0 0 295.333 3.758 20 10 CHCDRN CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883099208 1125371431 /nfs/dbraw/zinc/37/14/31/1125371431.db2.gz MVHFLFXLRJMEAK-LLVKDONJSA-N 0 0 297.267 3.737 20 10 CHCDRN CC(C)(C)c1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])o1 ZINC000883199836 1125376709 /nfs/dbraw/zinc/37/67/09/1125376709.db2.gz QGMNEXUARUOVOG-UHFFFAOYSA-N 0 0 295.329 3.851 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC[C@H]1CCCC1(F)F ZINC000883264507 1125388043 /nfs/dbraw/zinc/38/80/43/1125388043.db2.gz CMNYVWRMXQSDGS-SNVBAGLBSA-N 0 0 291.288 3.586 20 10 CHCDRN C[N@H+](Cc1ccccc1O)[C@H]1CCc2ccccc21 ZINC000131989612 1125412837 /nfs/dbraw/zinc/41/28/37/1125412837.db2.gz FNTHSZYBHBZQCE-INIZCTEOSA-N 0 0 253.345 3.512 20 10 CHCDRN CN(Cc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC001168214882 1125415056 /nfs/dbraw/zinc/41/50/56/1125415056.db2.gz KHZBIGPZEYGSDV-UHFFFAOYSA-N 0 0 293.725 3.844 20 10 CHCDRN COc1ccc2c(c1)CCCCN2Cc1cc(C)ns1 ZINC001168244995 1125430113 /nfs/dbraw/zinc/43/01/13/1125430113.db2.gz WKNQFRSVSHGACC-UHFFFAOYSA-N 0 0 288.416 3.803 20 10 CHCDRN C[C@H]1CN(C(=O)/C=C/c2cccnc2)c2ccccc2S1 ZINC000088222570 1129200104 /nfs/dbraw/zinc/20/01/04/1129200104.db2.gz PCRLWEQSXCPFSZ-XEHSLEBBSA-N 0 0 296.395 3.622 20 10 CHCDRN COc1ccc(CNc2nc3ccccc3cc2C)c(O)c1 ZINC000795290592 1129212239 /nfs/dbraw/zinc/21/22/39/1129212239.db2.gz VLNGJVVPIORTCL-UHFFFAOYSA-N 0 0 294.354 3.870 20 10 CHCDRN C/C(=C/c1cccnc1)C(=O)N1CCCc2cccc(F)c21 ZINC001124776380 1131361219 /nfs/dbraw/zinc/36/12/19/1131361219.db2.gz UCYOFDWBQDXWKM-QBFSEMIESA-N 0 0 296.345 3.603 20 10 CHCDRN Cc1cccc(CNc2cnn(Cc3ccccc3)c2)c1O ZINC000378968697 1129284952 /nfs/dbraw/zinc/28/49/52/1129284952.db2.gz XULRIUAXZDPLGQ-UHFFFAOYSA-N 0 0 293.370 3.558 20 10 CHCDRN C[C@@H](CCC1CCCCC1)NC(=O)C1=CC(=O)CS1 ZINC000734552721 1129313554 /nfs/dbraw/zinc/31/35/54/1129313554.db2.gz LZTUONCTVUVTRJ-NSHDSACASA-N 0 0 281.421 3.933 20 10 CHCDRN CCSc1ccccc1C(=O)N1CCS[C@H](C)[C@@H]1C ZINC000735643626 1129355639 /nfs/dbraw/zinc/35/56/39/1129355639.db2.gz ZZVVJUKCRFAEGQ-NWDGAFQWSA-N 0 0 295.473 3.765 20 10 CHCDRN CCOc1ccc(N(C)CCc2scnc2C)cc1 ZINC000739926519 1129409518 /nfs/dbraw/zinc/40/95/18/1129409518.db2.gz GYAFWWMZIUQKQM-UHFFFAOYSA-N 0 0 276.405 3.529 20 10 CHCDRN CC/C(C)=C\C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000822268755 1131372473 /nfs/dbraw/zinc/37/24/73/1131372473.db2.gz GIRJSDXELGHXDA-SQFISAMPSA-N 0 0 288.435 3.848 20 10 CHCDRN CC(C)c1cc(NCc2ccc(N3CC=CC3)cc2)ncn1 ZINC000740871695 1129420940 /nfs/dbraw/zinc/42/09/40/1129420940.db2.gz YTTYPGGDAKLAEF-UHFFFAOYSA-N 0 0 294.402 3.588 20 10 CHCDRN CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc(OC)c2O)C1 ZINC000093868831 1129428588 /nfs/dbraw/zinc/42/85/88/1129428588.db2.gz YRIXGWKYTNNNDG-ZIAGYGMSSA-N 0 0 295.448 3.507 20 10 CHCDRN CC[C@H]([NH2+]C[C@H](C)C(C)C)c1ccc(F)cc1[O-] ZINC000796771269 1129432036 /nfs/dbraw/zinc/43/20/36/1129432036.db2.gz IHQQCCYOMSHZJM-FZMZJTMJSA-N 0 0 253.361 3.864 20 10 CHCDRN CCCC(O)(CCC)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796772016 1129445832 /nfs/dbraw/zinc/44/58/32/1129445832.db2.gz OOTWWMSXTNJSER-HNNXBMFYSA-N 0 0 297.414 3.903 20 10 CHCDRN COc1ccc(N(CCOCC2CC2)CC(C)C)cc1 ZINC000741781712 1129453163 /nfs/dbraw/zinc/45/31/63/1129453163.db2.gz OKCOLCDGMXBJKZ-UHFFFAOYSA-N 0 0 277.408 3.584 20 10 CHCDRN O=C(/C=C\c1cccnc1)N1CCCCCc2ccccc21 ZINC000742010547 1129464130 /nfs/dbraw/zinc/46/41/30/1129464130.db2.gz LQDJRRDRNXYCOR-QXMHVHEDSA-N 0 0 292.382 3.854 20 10 CHCDRN O=C(/C=C/c1cccnc1)N1CCCCCc2ccccc21 ZINC000742010548 1129464345 /nfs/dbraw/zinc/46/43/45/1129464345.db2.gz LQDJRRDRNXYCOR-VAWYXSNFSA-N 0 0 292.382 3.854 20 10 CHCDRN CCN(CC)c1ccc(CNc2ccc(C)cn2)cc1F ZINC000742405971 1129476650 /nfs/dbraw/zinc/47/66/50/1129476650.db2.gz SADXFQIXPUOYED-UHFFFAOYSA-N 0 0 287.382 3.987 20 10 CHCDRN C/C(=C\C(=O)NCc1ccc(N(C)C)cc1C)C(C)(C)C ZINC000742683276 1129494342 /nfs/dbraw/zinc/49/43/42/1129494342.db2.gz MTRQROHMDPMUIM-SDNWHVSQSA-N 0 0 288.435 3.670 20 10 CHCDRN CC(=O)c1cc(F)ccc1NCc1ccc(N(C)C)cc1 ZINC000743303073 1129518893 /nfs/dbraw/zinc/51/88/93/1129518893.db2.gz BRCARQPOMDDPIB-UHFFFAOYSA-N 0 0 286.350 3.706 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)c1cc2cccc(F)c2o1 ZINC000743312233 1129519978 /nfs/dbraw/zinc/51/99/78/1129519978.db2.gz NFGPUNQUTCFSHI-UHFFFAOYSA-N 0 0 299.301 3.550 20 10 CHCDRN C[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)C(C)(C)C ZINC000743718531 1129535234 /nfs/dbraw/zinc/53/52/34/1129535234.db2.gz FTUPFURVQRUSJS-LBPRGKRZSA-N 0 0 289.419 3.569 20 10 CHCDRN CC(C)C[C@@H]1CCCCCN1C(=O)C1=CC(=O)CS1 ZINC000743812330 1129536750 /nfs/dbraw/zinc/53/67/50/1129536750.db2.gz WREMAQFWEMNCGS-LBPRGKRZSA-N 0 0 281.421 3.885 20 10 CHCDRN CSCCCN1CCCc2cc(OC(F)F)ccc21 ZINC000744390454 1129575342 /nfs/dbraw/zinc/57/53/42/1129575342.db2.gz HHBZIPILHOEMIT-UHFFFAOYSA-N 0 0 287.375 3.794 20 10 CHCDRN CCCCCCN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000303833865 1129575341 /nfs/dbraw/zinc/57/53/41/1129575341.db2.gz AHSBDYZRIHWLTK-UHFFFAOYSA-N 0 0 281.396 3.729 20 10 CHCDRN CCOc1ccc(N(CC)CCCSC)cc1 ZINC000744392360 1129575697 /nfs/dbraw/zinc/57/56/97/1129575697.db2.gz ZSWMDUUHVIWIEZ-UHFFFAOYSA-N 0 0 253.411 3.665 20 10 CHCDRN COc1ccc(N(CCCSC)C(C)C)cc1F ZINC000744393662 1129575710 /nfs/dbraw/zinc/57/57/10/1129575710.db2.gz PJVIHYUYBZXEAY-UHFFFAOYSA-N 0 0 271.401 3.802 20 10 CHCDRN CC(C)(C)/C=C/c1ccc(N2CCOCC2)cc1F ZINC001241564601 1129582965 /nfs/dbraw/zinc/58/29/65/1129582965.db2.gz MNRRFCBUMZSELB-VOTSOKGWSA-N 0 0 263.356 3.722 20 10 CHCDRN CC(=O)[C@@H](C)OC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000744884543 1129589050 /nfs/dbraw/zinc/58/90/50/1129589050.db2.gz KCIFLGYYABWFDV-OAHLLOKOSA-N 0 0 299.370 3.537 20 10 CHCDRN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c1O ZINC000252854567 1129598904 /nfs/dbraw/zinc/59/89/04/1129598904.db2.gz KUUJYUUAPIHUAC-WDEREUQCSA-N 0 0 283.799 3.532 20 10 CHCDRN CCCCC1(C(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000828539704 1131389872 /nfs/dbraw/zinc/38/98/72/1131389872.db2.gz UCRWBXXHCKYQHW-GFCCVEGCSA-N 0 0 261.365 3.540 20 10 CHCDRN CCN(C)c1ccc([C@H](C)Nc2ccc(CCO)cc2)cc1 ZINC000305807956 1129679943 /nfs/dbraw/zinc/67/99/43/1129679943.db2.gz HWCOYLYESZBXCA-HNNXBMFYSA-N 0 0 298.430 3.851 20 10 CHCDRN CCN(C)c1ccc([C@@H](C)Nc2ccc(CCO)cc2)cc1 ZINC000305807957 1129680222 /nfs/dbraw/zinc/68/02/22/1129680222.db2.gz HWCOYLYESZBXCA-OAHLLOKOSA-N 0 0 298.430 3.851 20 10 CHCDRN CO[C@H](CN(C)c1ccc(OC(C)C)cc1)C1CCC1 ZINC001169253521 1129713357 /nfs/dbraw/zinc/71/33/57/1129713357.db2.gz WDVYDRNIGLDQNN-QGZVFWFLSA-N 0 0 277.408 3.725 20 10 CHCDRN CC(=O)[C@H](Cc1ccccc1F)Sc1nccs1 ZINC000767061274 1129774840 /nfs/dbraw/zinc/77/48/40/1129774840.db2.gz GHLGZCREZXLNDQ-LBPRGKRZSA-N 0 0 281.377 3.575 20 10 CHCDRN CC(C)=CC[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000381532287 1129840138 /nfs/dbraw/zinc/84/01/38/1129840138.db2.gz ZQNCCEYNUOITOL-UHFFFAOYSA-N 0 0 284.197 3.519 20 10 CHCDRN CN(C)c1ccc(CNc2ccc3c(c2)OCCCO3)cc1 ZINC000020826591 1129848240 /nfs/dbraw/zinc/84/82/40/1129848240.db2.gz XYGZCCWDPMWHBV-UHFFFAOYSA-N 0 0 298.386 3.526 20 10 CHCDRN CC(C)CCCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000828860663 1131403127 /nfs/dbraw/zinc/40/31/27/1131403127.db2.gz FFLDZJBCOSKAGQ-AWEZNQCLSA-N 0 0 276.424 3.756 20 10 CHCDRN CC(C)[N@@H+](Cc1cccc(Br)c1[O-])CC1CC1 ZINC000768673854 1129868388 /nfs/dbraw/zinc/86/83/88/1129868388.db2.gz KHIVYRLNTZEKHC-UHFFFAOYSA-N 0 0 298.224 3.775 20 10 CHCDRN CCCC[C@H](C)C(=O)NCCCSc1nccs1 ZINC000800491964 1129879855 /nfs/dbraw/zinc/87/98/55/1129879855.db2.gz YOZRFFKJPHIYDT-NSHDSACASA-N 0 0 286.466 3.568 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000800527253 1129882325 /nfs/dbraw/zinc/88/23/25/1129882325.db2.gz YTDSGLKYRXFLLH-SNVBAGLBSA-N 0 0 289.753 3.961 20 10 CHCDRN C[N@H+](Cc1ccoc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000769006311 1129888669 /nfs/dbraw/zinc/88/86/69/1129888669.db2.gz RKZMDRQPPNXDQO-UHFFFAOYSA-N 0 0 286.158 3.924 20 10 CHCDRN CCC(CC)(C(=O)NCc1ccccc1O)c1ccccc1 ZINC000769363570 1129904283 /nfs/dbraw/zinc/90/42/83/1129904283.db2.gz VDPNIGTUEQQMQV-UHFFFAOYSA-N 0 0 297.398 3.766 20 10 CHCDRN CC(C)[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CCC1 ZINC000769469797 1129912553 /nfs/dbraw/zinc/91/25/53/1129912553.db2.gz FTAZOTDNJQXJBK-UHFFFAOYSA-N 0 0 298.770 3.717 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)C1=CCCC1 ZINC000801549843 1129926601 /nfs/dbraw/zinc/92/66/01/1129926601.db2.gz CWVSHXGVGOEQQH-UHFFFAOYSA-N 0 0 273.376 3.631 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccccc1O ZINC000801549894 1129926936 /nfs/dbraw/zinc/92/69/36/1129926936.db2.gz FWIYZUUUNLDQFO-UHFFFAOYSA-N 0 0 299.370 3.540 20 10 CHCDRN C[C@H](Nc1cnn(C)c1C1CC1)c1ccc(N(C)C)cc1 ZINC000769981271 1129933983 /nfs/dbraw/zinc/93/39/83/1129933983.db2.gz TYZXSUALMKZYSB-LBPRGKRZSA-N 0 0 284.407 3.537 20 10 CHCDRN COc1c(F)cc(F)cc1NCc1c(O)cccc1Cl ZINC000770563758 1129952912 /nfs/dbraw/zinc/95/29/12/1129952912.db2.gz NKYIDDXQEVSQGY-UHFFFAOYSA-N 0 0 299.704 3.945 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CCC ZINC000801961352 1129964252 /nfs/dbraw/zinc/96/42/52/1129964252.db2.gz UQAAKCRQPACNSI-AWEZNQCLSA-N 0 0 292.423 3.893 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1c([O-])cccc1F ZINC000886591715 1129974267 /nfs/dbraw/zinc/97/42/67/1129974267.db2.gz ABWWWRCCVCAPCX-JGVFFNPUSA-N 0 0 265.250 3.523 20 10 CHCDRN CC(C)Nc1ccccc1NCCCOC(F)(F)F ZINC000902104433 1129980653 /nfs/dbraw/zinc/98/06/53/1129980653.db2.gz CEDBLKHTIJEQRI-UHFFFAOYSA-N 0 0 276.302 3.845 20 10 CHCDRN Cc1cccc(N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000771756750 1129989215 /nfs/dbraw/zinc/98/92/15/1129989215.db2.gz JVOGORFIDHBOBC-UHFFFAOYSA-N 0 0 281.403 3.625 20 10 CHCDRN C[C@H](Nc1ccc(OC(F)F)nc1)c1ccc(F)cc1O ZINC000802320881 1129992843 /nfs/dbraw/zinc/99/28/43/1129992843.db2.gz JUZQGLFWUFPUHE-QMMMGPOBSA-N 0 0 298.264 3.701 20 10 CHCDRN CN(C)c1ccc(CN(C)Cc2c(F)cccc2F)cc1 ZINC000771935563 1129996145 /nfs/dbraw/zinc/99/61/45/1129996145.db2.gz XGLNRIBFGQIOID-UHFFFAOYSA-N 0 0 290.357 3.663 20 10 CHCDRN Cc1cncc(/C=C\C(=O)N2CCc3ccc(Cl)cc32)c1 ZINC000772091655 1130003795 /nfs/dbraw/zinc/00/37/95/1130003795.db2.gz BMVUAUJORZOJRS-DJWKRKHSSA-N 0 0 298.773 3.646 20 10 CHCDRN COc1ccc2c(c1)CCCCN2C[C@H]1CCO[C@@H](C)C1 ZINC000785762724 1130054793 /nfs/dbraw/zinc/05/47/93/1130054793.db2.gz XVJNRZJZKHHIPC-GJZGRUSLSA-N 0 0 289.419 3.653 20 10 CHCDRN CC(=O)c1ccc(N[C@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000772295418 1130016658 /nfs/dbraw/zinc/01/66/58/1130016658.db2.gz FQMBXKBVKXOMCT-GFCCVEGCSA-N 0 0 283.375 3.523 20 10 CHCDRN O=C(OCc1cccc(Cl)c1F)C1=CC(=O)CS1 ZINC000786289895 1130085173 /nfs/dbraw/zinc/08/51/73/1130085173.db2.gz FQVXNZVYOWGLNI-UHFFFAOYSA-N 0 0 286.711 3.603 20 10 CHCDRN Cn1c(=O)cc(-c2cnc3ccccc3c2)c2ccccc21 ZINC001239794717 1130110886 /nfs/dbraw/zinc/11/08/86/1130110886.db2.gz ONCIDWVMARIZOC-UHFFFAOYSA-N 0 0 286.334 3.754 20 10 CHCDRN CC[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc(F)cc1[O-] ZINC000903262494 1130139190 /nfs/dbraw/zinc/13/91/90/1130139190.db2.gz FGWAKKBOLSBLEW-MAZHCROVSA-N 0 0 295.398 3.513 20 10 CHCDRN Cc1ccc(O)c([C@H](C)NCc2nc(C(C)(C)C)co2)c1 ZINC000903312733 1130152151 /nfs/dbraw/zinc/15/21/51/1130152151.db2.gz AYMTWOFYZBERCF-LBPRGKRZSA-N 0 0 288.391 3.837 20 10 CHCDRN C[C@H]([NH2+][C@@H](c1ccncc1)C1CC1)c1c([O-])cccc1F ZINC000903429665 1130176701 /nfs/dbraw/zinc/17/67/01/1130176701.db2.gz RMBCTKGNGIMLTH-APPDUMDISA-N 0 0 286.350 3.728 20 10 CHCDRN COC(=O)c1cc(NCc2cc(C)ccc2O)c(C)cc1C ZINC000788268824 1130180534 /nfs/dbraw/zinc/18/05/34/1130180534.db2.gz JMDVWDFDAKMQPL-UHFFFAOYSA-N 0 0 299.370 3.716 20 10 CHCDRN CCN(Cc1cccc(OC)c1O)c1ccc2[nH]ccc2c1 ZINC000788270069 1130181436 /nfs/dbraw/zinc/18/14/36/1130181436.db2.gz WKCOXHGHHLGGTC-UHFFFAOYSA-N 0 0 296.370 3.909 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])c1cn[nH]c1 ZINC000788688280 1130200617 /nfs/dbraw/zinc/20/06/17/1130200617.db2.gz RZCOENMHDPSTHC-BDAKNGLRSA-N 0 0 299.296 3.546 20 10 CHCDRN COCCC(C)(C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000398105679 1130216740 /nfs/dbraw/zinc/21/67/40/1130216740.db2.gz OYABDVAYSXHMMZ-UHFFFAOYSA-N 0 0 292.206 3.604 20 10 CHCDRN O=C(NCc1ccccc1O)Nc1cc(Cl)ccc1F ZINC000748441709 1130233092 /nfs/dbraw/zinc/23/30/92/1130233092.db2.gz FOJYRSLOVXVCJW-UHFFFAOYSA-N 0 0 294.713 3.506 20 10 CHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)OCC1CC1 ZINC000790013457 1130287176 /nfs/dbraw/zinc/28/71/76/1130287176.db2.gz VGUFPJCVDFDKDE-UHFFFAOYSA-N 0 0 290.407 3.510 20 10 CHCDRN CCCCN(C(=O)/C=C(/C)c1cnccn1)c1ccccc1 ZINC000826932871 1130312430 /nfs/dbraw/zinc/31/24/30/1130312430.db2.gz JLXJQIJIWYUBIH-SQFISAMPSA-N 0 0 295.386 3.713 20 10 CHCDRN CC[C@H](C)Oc1nccnc1-c1ccc2ccn(C)c2c1 ZINC001240572262 1130366681 /nfs/dbraw/zinc/36/66/81/1130366681.db2.gz PEJVMPHANNWDEG-LBPRGKRZSA-N 0 0 281.359 3.813 20 10 CHCDRN Cn1ccc2ccc(-c3nccc4scnc43)cc21 ZINC001240572239 1130366979 /nfs/dbraw/zinc/36/69/79/1130366979.db2.gz UQVQOWIBQWOTBD-UHFFFAOYSA-N 0 0 265.341 3.850 20 10 CHCDRN CC[N@H+](Cc1c([O-])ccc(Cl)c1F)C1CCC1 ZINC000792165661 1130434292 /nfs/dbraw/zinc/43/42/92/1130434292.db2.gz KNAMOBOHSJNPKK-UHFFFAOYSA-N 0 0 257.736 3.559 20 10 CHCDRN CC[C@H]1CCC[N@@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792167003 1130435721 /nfs/dbraw/zinc/43/57/21/1130435721.db2.gz JYWDMLLWWAOPSI-VIFPVBQESA-N 0 0 257.736 3.559 20 10 CHCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](C)CC(C)C)c1 ZINC000103528494 1130483062 /nfs/dbraw/zinc/48/30/62/1130483062.db2.gz QRSGXWHASUCHLM-QWHCGFSZSA-N 0 0 293.407 3.650 20 10 CHCDRN COc1ccc(N(CCOC(C)(C)C)CC2CC2)cc1 ZINC001170412733 1130492569 /nfs/dbraw/zinc/49/25/69/1130492569.db2.gz UGFHBJWJMNJNHQ-UHFFFAOYSA-N 0 0 277.408 3.727 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2ccnn2C(C)C)cc1 ZINC000793185509 1130528778 /nfs/dbraw/zinc/52/87/78/1130528778.db2.gz FLKJAZGOBGVCEL-UHFFFAOYSA-N 0 0 287.407 3.888 20 10 CHCDRN C[C@@]1(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1(F)F ZINC000827260078 1130530086 /nfs/dbraw/zinc/53/00/86/1130530086.db2.gz KNRUEVIGHARMAG-GFCCVEGCSA-N 0 0 293.716 3.710 20 10 CHCDRN C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c(O)cccc1Cl ZINC000793230035 1130531961 /nfs/dbraw/zinc/53/19/61/1130531961.db2.gz CNHVMBDPJMNNCI-SCZZXKLOSA-N 0 0 293.716 3.818 20 10 CHCDRN CCOc1ccc(C[N@H+](CC2CC2)C2CCC2)c(O)c1 ZINC000793393159 1130551223 /nfs/dbraw/zinc/55/12/23/1130551223.db2.gz DNCRNBWFHGGTCR-UHFFFAOYSA-N 0 0 275.392 3.555 20 10 CHCDRN Oc1c(Cl)cccc1CNc1ccc2c(c1)CCOC2 ZINC000827314289 1130556770 /nfs/dbraw/zinc/55/67/70/1130556770.db2.gz ZYEZFPKRLOFMQY-UHFFFAOYSA-N 0 0 289.762 3.730 20 10 CHCDRN CCC(CC)CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000759170994 1130640680 /nfs/dbraw/zinc/64/06/80/1130640680.db2.gz RHFKLIVQLJVJJY-UHFFFAOYSA-N 0 0 288.435 3.512 20 10 CHCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H]1C[C@H](C)CC[C@@H]1C ZINC001234473995 1130647514 /nfs/dbraw/zinc/64/75/14/1130647514.db2.gz MODHMNUOOIYPKQ-HFBDOXOYSA-N 0 0 278.348 3.504 20 10 CHCDRN CC(=O)c1cc(O)c(O)cc1O[C@H]1CCCC(C)(C)C1 ZINC001234474955 1130647637 /nfs/dbraw/zinc/64/76/37/1130647637.db2.gz ARZLHLYPBHWFAD-NSHDSACASA-N 0 0 278.348 3.648 20 10 CHCDRN CCCC(CCC)Oc1cc(O)c(O)cc1C(C)=O ZINC001234474321 1130647850 /nfs/dbraw/zinc/64/78/50/1130647850.db2.gz RBOVNMLIDWRKLS-UHFFFAOYSA-N 0 0 266.337 3.648 20 10 CHCDRN CC(=O)c1cc(O)c(O)cc1O[C@H](C)c1ccc(C)cc1 ZINC001234475084 1130647987 /nfs/dbraw/zinc/64/79/87/1130647987.db2.gz CXJDBZMARYZKSH-GFCCVEGCSA-N 0 0 286.327 3.749 20 10 CHCDRN COc1ccc(N(CCF)Cc2ccccc2)cc1 ZINC000759332867 1130651362 /nfs/dbraw/zinc/65/13/62/1130651362.db2.gz SVKGPYGNPCCSHP-UHFFFAOYSA-N 0 0 259.324 3.671 20 10 CHCDRN CC1=C(C)C[C@H](C(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000827959619 1130679148 /nfs/dbraw/zinc/67/91/48/1130679148.db2.gz DFBWTACXWCRFTN-UONOGXRCSA-N 0 0 273.376 3.706 20 10 CHCDRN C[C@H](NC(=O)C1(C2CCC2)CCC1)c1ccccc1O ZINC000827959612 1130679293 /nfs/dbraw/zinc/67/92/93/1130679293.db2.gz CMYYDMAHPTYAQN-LBPRGKRZSA-N 0 0 273.376 3.540 20 10 CHCDRN CC[C@@H](C)[C@@H](C)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000780591076 1130685923 /nfs/dbraw/zinc/68/59/23/1130685923.db2.gz ZBABIVGTNDUIRS-CHWSQXEVSA-N 0 0 289.419 3.569 20 10 CHCDRN COc1ccc2c(c1)CCCN2Cc1occc1C ZINC000780765927 1130690844 /nfs/dbraw/zinc/69/08/44/1130690844.db2.gz APVMFVPTEJKXFB-UHFFFAOYSA-N 0 0 257.333 3.549 20 10 CHCDRN CCOc1ccc(N(C)Cc2cccc(OCC)n2)cc1 ZINC000780775754 1130691546 /nfs/dbraw/zinc/69/15/46/1130691546.db2.gz YARQNALQAVRQJH-UHFFFAOYSA-N 0 0 286.375 3.515 20 10 CHCDRN COCc1ccc(CN(C)c2ccc(OC)c(Cl)c2)o1 ZINC000780779810 1130691785 /nfs/dbraw/zinc/69/17/85/1130691785.db2.gz YPYMWCUHSXYQPO-UHFFFAOYSA-N 0 0 295.766 3.724 20 10 CHCDRN CCOc1cccc(CN2CCc3ccc(C)cc32)c1O ZINC000780772369 1130692013 /nfs/dbraw/zinc/69/20/13/1130692013.db2.gz JAMFJBAVXXBGCC-UHFFFAOYSA-N 0 0 283.371 3.662 20 10 CHCDRN COc1ccc(N(C)C[C@@H]2CCO[C@@H](C)C2)cc1Cl ZINC000780778467 1130692120 /nfs/dbraw/zinc/69/21/20/1130692120.db2.gz LCGALVIUJAYIMS-NWDGAFQWSA-N 0 0 283.799 3.600 20 10 CHCDRN C[C@H](NC(=O)[C@H]1CCCC[C@H]1C1CC1)c1ccccc1O ZINC000827960266 1130694007 /nfs/dbraw/zinc/69/40/07/1130694007.db2.gz MPAZRUUJDZWFKX-RCBQFDQVSA-N 0 0 287.403 3.786 20 10 CHCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCC(C)(C)C2)cc1 ZINC000781570022 1130726488 /nfs/dbraw/zinc/72/64/88/1130726488.db2.gz STKCYQNUUYQSCF-HNNXBMFYSA-N 0 0 288.435 3.537 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[N@@H+](C)C2CCCC2)c1 ZINC000781895566 1130746022 /nfs/dbraw/zinc/74/60/22/1130746022.db2.gz VJCFEJJLDXITAV-UHFFFAOYSA-N 0 0 298.224 3.838 20 10 CHCDRN C[C@H](NC(=O)[C@@H]1[C@@H](C)[C@@H]1c1ccccc1)c1ccccc1O ZINC000827963812 1130754411 /nfs/dbraw/zinc/75/44/11/1130754411.db2.gz 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CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C)c1cccc(Cl)c1[O-] ZINC000840873296 1132299229 /nfs/dbraw/zinc/29/92/29/1132299229.db2.gz SGJBVLJBESZGLM-FJJYHAOUSA-N 0 0 297.826 3.900 20 10 CHCDRN Cc1cc(O)c(CNc2ccc(C3CC3)nn2)c(Cl)c1 ZINC000840882711 1132302845 /nfs/dbraw/zinc/30/28/45/1132302845.db2.gz BJMKHQBMOXGUCD-UHFFFAOYSA-N 0 0 289.766 3.634 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1cccc(Cl)c1[O-] ZINC000840893691 1132305891 /nfs/dbraw/zinc/30/58/91/1132305891.db2.gz LBHQSYDYIASTHT-JMSVASOKSA-N 0 0 297.826 3.637 20 10 CHCDRN Cc1noc(C)c1CN(C)Cc1c(O)cc(C)cc1Cl ZINC000840910723 1132308036 /nfs/dbraw/zinc/30/80/36/1132308036.db2.gz KKZDRKQZLARPGX-UHFFFAOYSA-N 0 0 294.782 3.591 20 10 CHCDRN Cc1cc(O)c(CN(C)Cc2cccc(C)n2)c(Cl)c1 ZINC000840918484 1132309777 /nfs/dbraw/zinc/30/97/77/1132309777.db2.gz UGSOJXSDEXYVPW-UHFFFAOYSA-N 0 0 290.794 3.689 20 10 CHCDRN Cc1cccc(CN2Cc3ccccc3C(F)(F)C2)c1O ZINC001231590931 1132317753 /nfs/dbraw/zinc/31/77/53/1132317753.db2.gz 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C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(Cl)cc1[O-] ZINC000841754237 1132391178 /nfs/dbraw/zinc/39/11/78/1132391178.db2.gz JIQZSZVAHUCXSS-ZEQHWRKHSA-N 0 0 295.810 3.510 20 10 CHCDRN C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841756866 1132394273 /nfs/dbraw/zinc/39/42/73/1132394273.db2.gz KXYUJOXAKSEBLU-VXGBXAGGSA-N 0 0 283.799 3.513 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001231910663 1132399707 /nfs/dbraw/zinc/39/97/07/1132399707.db2.gz PVKIDHUHTUYLHW-VXGBXAGGSA-N 0 0 265.784 3.668 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCCC2(CCC2)C1 ZINC001231914453 1132400243 /nfs/dbraw/zinc/40/02/43/1132400243.db2.gz LOHBXUAOBOYEDI-UHFFFAOYSA-N 0 0 265.784 3.812 20 10 CHCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001142524662 1132403362 /nfs/dbraw/zinc/40/33/62/1132403362.db2.gz GATMBJYWVBOWCQ-ABAIWWIYSA-N 0 0 281.346 3.825 20 10 CHCDRN CN(C)c1ccc(OC[C@H]2CCC(F)(F)C2)cc1 ZINC000842042937 1132404541 /nfs/dbraw/zinc/40/45/41/1132404541.db2.gz 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1132596014 /nfs/dbraw/zinc/59/60/14/1132596014.db2.gz NDDGQDBIRAIENC-UHFFFAOYSA-N 0 0 290.432 3.778 20 10 CHCDRN C[N@H+](Cc1c([O-])ccc(F)c1F)[C@@H]1CCc2ccccc21 ZINC001233336248 1132602941 /nfs/dbraw/zinc/60/29/41/1132602941.db2.gz FGOBGMQUSJEEAN-OAHLLOKOSA-N 0 0 289.325 3.790 20 10 CHCDRN Oc1ccc(F)c(F)c1CN1CCCC[C@H]1C(F)(F)F ZINC001233334673 1132603504 /nfs/dbraw/zinc/60/35/04/1132603504.db2.gz PKXMMQAGXKAWGM-NSHDSACASA-N 0 0 295.251 3.587 20 10 CHCDRN C[N@H+](Cc1cccc(C(F)(F)F)c1[O-])C(C)(C)C ZINC001233417837 1132617666 /nfs/dbraw/zinc/61/76/66/1132617666.db2.gz KKAOUCYLQCHWCA-UHFFFAOYSA-N 0 0 261.287 3.641 20 10 CHCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@H](C)[C@@H](C)CC ZINC001233498865 1132628764 /nfs/dbraw/zinc/62/87/64/1132628764.db2.gz WNNUYEFVQCUBMA-WDEREUQCSA-N 0 0 280.364 3.894 20 10 CHCDRN CCN(Cc1ccccc1O)c1nc(C)nc2sccc21 ZINC001154882205 1132629715 /nfs/dbraw/zinc/62/97/15/1132629715.db2.gz SOBWTVGLGHSEAR-UHFFFAOYSA-N 0 0 299.399 3.732 20 10 CHCDRN CCN(Cc1ccccc1O)c1nc(C)cc(C(C)C)n1 ZINC001154890820 1132631091 /nfs/dbraw/zinc/63/10/91/1132631091.db2.gz QOZSTMDIKHWHOV-UHFFFAOYSA-N 0 0 285.391 3.641 20 10 CHCDRN CCN(Cc1ccccc1O)c1cnc2cccc(C)c2n1 ZINC001154890024 1132631288 /nfs/dbraw/zinc/63/12/88/1132631288.db2.gz ODNKSCFJXCNDPZ-UHFFFAOYSA-N 0 0 293.370 3.670 20 10 CHCDRN CCN1CCc2cc(O[C@@H](C)c3nccs3)ccc21 ZINC001233601337 1132646508 /nfs/dbraw/zinc/64/65/08/1132646508.db2.gz IFIKXRGLIWOJRC-NSHDSACASA-N 0 0 274.389 3.666 20 10 CHCDRN CCN1CCc2cc(O[C@H]3CC=C(OC)CC3)ccc21 ZINC001233601011 1132646762 /nfs/dbraw/zinc/64/67/62/1132646762.db2.gz FIKTUZQKJFLCPT-HNNXBMFYSA-N 0 0 273.376 3.531 20 10 CHCDRN C[N@H+](Cc1cccc(OC(F)(F)F)c1O)CC(C)(C)C ZINC001233760476 1132675311 /nfs/dbraw/zinc/67/53/11/1132675311.db2.gz FUTOCLYSFVYCAQ-UHFFFAOYSA-N 0 0 291.313 3.769 20 10 CHCDRN CCCCC[C@@H](CC)C(=O)NCc1c(O)cccc1F ZINC001156170100 1132686090 /nfs/dbraw/zinc/68/60/90/1132686090.db2.gz GPIHUWPXGZFUND-GFCCVEGCSA-N 0 0 281.371 3.754 20 10 CHCDRN CC/C(C)=C(\C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001157041378 1132719311 /nfs/dbraw/zinc/71/93/11/1132719311.db2.gz FVKWMQBGVMIOSB-OUKQBFOZSA-N 0 0 283.371 3.908 20 10 CHCDRN Nc1ccc(Nc2cccc(C(=O)NC3CCCC3)c2)cc1 ZINC001174198989 1132756380 /nfs/dbraw/zinc/75/63/80/1132756380.db2.gz PHTKOGWTWPAPBT-UHFFFAOYSA-N 0 0 295.386 3.685 20 10 CHCDRN Nc1ccc(Nc2nc3cc(Cl)ccc3o2)cc1 ZINC001159104496 1132806246 /nfs/dbraw/zinc/80/62/46/1132806246.db2.gz FGXNYZSCWFOEEJ-UHFFFAOYSA-N 0 0 259.696 3.807 20 10 CHCDRN Nc1ccc(Nc2cc(-c3ccc(F)c(F)c3)no2)cc1 ZINC001159118025 1132808956 /nfs/dbraw/zinc/80/89/56/1132808956.db2.gz RYYNLAUQBKZWDE-UHFFFAOYSA-N 0 0 287.269 3.946 20 10 CHCDRN Nc1ccc(Nc2cnc(Br)c(Cl)c2)cc1 ZINC001159233009 1132818776 /nfs/dbraw/zinc/81/87/76/1132818776.db2.gz HMLLNLJIWADSAO-UHFFFAOYSA-N 0 0 298.571 3.823 20 10 CHCDRN Nc1ccc(Nc2nc(Cl)ccc2Cl)cc1 ZINC001159303569 1132826331 /nfs/dbraw/zinc/82/63/31/1132826331.db2.gz DSPUKGIYZPJNDE-UHFFFAOYSA-N 0 0 254.120 3.714 20 10 CHCDRN Nc1ccc(Nc2cnc3ccc(F)cc3c2)cc1 ZINC001159303688 1132826381 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ZINC000019917308 170926210 /nfs/dbraw/zinc/92/62/10/170926210.db2.gz FJGUNEOFWJUJQY-MRXNPFEDSA-N 0 0 284.359 3.914 20 10 CHCDRN COc1ccc(O)c(CNc2ccc3c(c2)CCC3)c1 ZINC000020088887 170988880 /nfs/dbraw/zinc/98/88/80/170988880.db2.gz CQYATHYLIXVRSW-UHFFFAOYSA-N 0 0 269.344 3.502 20 10 CHCDRN CC(C)[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000020522938 171235812 /nfs/dbraw/zinc/23/58/12/171235812.db2.gz APTRRPPUKOAISM-QMMMGPOBSA-N 0 0 262.180 3.833 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccco1 ZINC000022144256 171356070 /nfs/dbraw/zinc/35/60/70/171356070.db2.gz CZDLHYYQXONLDW-UHFFFAOYSA-N 0 0 272.131 3.582 20 10 CHCDRN Cc1cc(C)c(C(=O)NCc2c(C)c3ccccc3n2C)o1 ZINC000348671158 226502524 /nfs/dbraw/zinc/50/25/24/226502524.db2.gz VZEOZHSWCOALOL-UHFFFAOYSA-N 0 0 296.370 3.627 20 10 CHCDRN CCc1ccc([C@H](C)[NH2+]Cc2ccc(N(C)C)cc2)o1 ZINC000160564568 261218024 /nfs/dbraw/zinc/21/80/24/261218024.db2.gz YHPFUDYSBQGVSZ-ZDUSSCGKSA-N 0 0 272.392 3.759 20 10 CHCDRN CC(C)(C)c1cnc(SC[C@H]2CCOC2)s1 ZINC000177129913 261687816 /nfs/dbraw/zinc/68/78/16/261687816.db2.gz PXCWKTSOUCIWAB-VIFPVBQESA-N 0 0 257.424 3.569 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(C)ccn1 ZINC000184101876 262008967 /nfs/dbraw/zinc/00/89/67/262008967.db2.gz HAKQYYPQIDJEJU-UHFFFAOYSA-N 0 0 299.374 3.540 20 10 CHCDRN CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185103485 262041308 /nfs/dbraw/zinc/04/13/08/262041308.db2.gz PBOAFEJTPWCAPI-LBPRGKRZSA-N 0 0 289.350 3.781 20 10 CHCDRN CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185437258 262054621 /nfs/dbraw/zinc/05/46/21/262054621.db2.gz BKTXMVWCDGHBNE-DTWKUNHWSA-N 0 0 292.206 3.511 20 10 CHCDRN CCN(C(=O)/C=C/c1cncs1)c1ccccc1Cl ZINC000493717217 262245353 /nfs/dbraw/zinc/24/53/53/262245353.db2.gz FNDAXVAEMBICLZ-BQYQJAHWSA-N 0 0 292.791 3.863 20 10 CHCDRN CN(C(=O)/C=C\c1cccnc1)c1ccc(Cl)cc1F ZINC000492950578 262251954 /nfs/dbraw/zinc/25/19/54/262251954.db2.gz JGBCYTLZYHVRTJ-DAXSKMNVSA-N 0 0 290.725 3.550 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1cccnc1 ZINC000282998110 263080237 /nfs/dbraw/zinc/08/02/37/263080237.db2.gz NPLZMYMDHRAPRP-UHFFFAOYSA-N 0 0 299.374 3.621 20 10 CHCDRN COc1ccc(O)c([C@H](C)Nc2ccc3c(c2)CCCO3)c1 ZINC000186438039 327916683 /nfs/dbraw/zinc/91/66/83/327916683.db2.gz ANJYMPHCNICZSW-LBPRGKRZSA-N 0 0 299.370 3.899 20 10 CHCDRN CC[C@H](Nc1cccc2c1OCC2)c1ccccc1O ZINC000527958426 330294732 /nfs/dbraw/zinc/29/47/32/330294732.db2.gz SPFBIYCXAKTWIF-AWEZNQCLSA-N 0 0 269.344 3.890 20 10 CHCDRN C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1ccc(Cl)cc1[O-] ZINC000527926140 330296608 /nfs/dbraw/zinc/29/66/08/330296608.db2.gz OZQZIESUIRKGIC-VXGBXAGGSA-N 0 0 283.799 3.513 20 10 CHCDRN CC[C@H]([NH2+]CC[C@@H]1CCCOC1)c1cccc(Cl)c1[O-] ZINC000527927991 330296896 /nfs/dbraw/zinc/29/68/96/330296896.db2.gz SONNSIIGUYVCJN-WFASDCNBSA-N 0 0 297.826 3.903 20 10 CHCDRN C[C@H]1CC[C@H](c2noc(-c3ccc(-n4cccc4)cc3)n2)O1 ZINC000528237296 330316966 /nfs/dbraw/zinc/31/69/66/330316966.db2.gz FIKFNRBQMHQKBJ-SWLSCSKDSA-N 0 0 295.342 3.767 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1[C@H](C)CC[C@@H]1C ZINC000472226605 331532317 /nfs/dbraw/zinc/53/23/17/331532317.db2.gz ZSJBFWUTWDOECT-BETUJISGSA-N 0 0 299.418 3.569 20 10 CHCDRN [O-]c1c(F)cccc1C[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000529646112 333503460 /nfs/dbraw/zinc/50/34/60/333503460.db2.gz ZNBPNQYNTZYNOD-MRXNPFEDSA-N 0 0 286.350 3.557 20 10 CHCDRN Cc1ccc2c(C3=CCN(c4cccnn4)CC3)c[nH]c2c1 ZINC000552962864 334353375 /nfs/dbraw/zinc/35/33/75/334353375.db2.gz FFHSTOVCISLBLR-UHFFFAOYSA-N 0 0 290.370 3.560 20 10 CHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC(C)(F)F ZINC000277028677 519655177 /nfs/dbraw/zinc/65/51/77/519655177.db2.gz NUEBXCNPXORREC-UHFFFAOYSA-N 0 0 298.377 3.535 20 10 CHCDRN CC(C)c1ccc(CCC(=O)Nc2ccc(N)cc2)cc1 ZINC000236639882 519835603 /nfs/dbraw/zinc/83/56/03/519835603.db2.gz LQZGSAKVHJRHQD-UHFFFAOYSA-N 0 0 282.387 3.964 20 10 CHCDRN CCC(=O)Nc1ccc(NCc2ccc(N(C)C)cc2)cc1 ZINC000078989947 521212266 /nfs/dbraw/zinc/21/22/66/521212266.db2.gz HRSHYTFMTZFUAC-UHFFFAOYSA-N 0 0 297.402 3.713 20 10 CHCDRN CN(C)c1ccc(CSc2nccs2)cc1 ZINC000292563757 522215056 /nfs/dbraw/zinc/21/50/56/522215056.db2.gz DFTCEBGRXGZLEV-UHFFFAOYSA-N 0 0 250.392 3.501 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCCOCC1)c1cccc(Cl)c1[O-] ZINC000287723113 522751154 /nfs/dbraw/zinc/75/11/54/522751154.db2.gz ORVFEIIURAXGLS-FZMZJTMJSA-N 0 0 283.799 3.655 20 10 CHCDRN CC[C@H](Nc1cnn(CC(F)F)c1)c1ccc(F)cc1O ZINC000285970899 522779098 /nfs/dbraw/zinc/77/90/98/522779098.db2.gz GAUOOXSFDPALAD-LBPRGKRZSA-N 0 0 299.296 3.556 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)C1CCC(C)(C)CC1 ZINC000120771879 523377573 /nfs/dbraw/zinc/37/75/73/523377573.db2.gz XZWCKGUNEGTZFV-UHFFFAOYSA-N 0 0 275.392 3.567 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)NCC1(C)CCCCC1 ZINC000268097397 523381778 /nfs/dbraw/zinc/38/17/78/523381778.db2.gz CXFVTFWRWADPJO-UHFFFAOYSA-N 0 0 290.407 3.504 20 10 CHCDRN COc1ccc(N[C@@H](C)c2cc(OC)ccc2O)c(C)c1 ZINC000061565642 524701690 /nfs/dbraw/zinc/70/16/90/524701690.db2.gz LLBPZZQYYPUCDE-LBPRGKRZSA-N 0 0 287.359 3.891 20 10 CHCDRN COc1ccc(N[C@@H]2CCc3cccc(O)c32)c(C)c1 ZINC000296249766 524705326 /nfs/dbraw/zinc/70/53/26/524705326.db2.gz BFBMMMHTNLEBMO-OAHLLOKOSA-N 0 0 269.344 3.809 20 10 CHCDRN Cc1ccccc1[C@@H](C)CC(=O)N(C)Cc1ccccc1O ZINC000116443171 525341386 /nfs/dbraw/zinc/34/13/86/525341386.db2.gz ZTCYYIXZYXTPIC-HNNXBMFYSA-N 0 0 297.398 3.853 20 10 CHCDRN C[C@H](Nc1ccc(N(C)C)cc1)c1cc(F)ccc1O ZINC000094617139 525653347 /nfs/dbraw/zinc/65/33/47/525653347.db2.gz REHFGFSGAVQYIE-NSHDSACASA-N 0 0 274.339 3.770 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273352990 525688746 /nfs/dbraw/zinc/68/87/46/525688746.db2.gz CCDZWRWSEHPSFE-SFYZADRCSA-N 0 0 292.231 3.855 20 10 CHCDRN C[C@H](Sc1nccs1)C(=O)C1(c2ccccc2)CC1 ZINC000289660496 526007045 /nfs/dbraw/zinc/00/70/45/526007045.db2.gz OLXRNSASADZQKY-NSHDSACASA-N 0 0 289.425 3.925 20 10 CHCDRN CC[C@H](C)C[C@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001594935245 982585538 /nfs/dbraw/zinc/58/55/38/982585538.db2.gz VMUOTWGGJATKIK-SRVKXCTJSA-N 0 0 279.380 3.566 20 10 CHCDRN O=C(NCc1ccccc1O)c1csc2ccccc12 ZINC000133764682 1125492271 /nfs/dbraw/zinc/49/22/71/1125492271.db2.gz OFOBTCPMKYABFC-UHFFFAOYSA-N 0 0 283.352 3.537 20 10 CHCDRN CSCC[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(C)c1O ZINC000775714791 1122922183 /nfs/dbraw/zinc/92/21/83/1122922183.db2.gz UBZFGUNUEZZASX-LLVKDONJSA-N 0 0 287.856 3.927 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000825215111 1131502701 /nfs/dbraw/zinc/50/27/01/1131502701.db2.gz HAUAMAPRBHWDRV-HNNXBMFYSA-N 0 0 297.851 3.765 20 10 CHCDRN CCCC(C)(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000844484335 1131566942 /nfs/dbraw/zinc/56/69/42/1131566942.db2.gz DBBYZCHBKBUIGG-CYBMUJFWSA-N 0 0 276.424 3.756 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)c1cc(F)cc(F)c1[O-] ZINC000834885103 1131718760 /nfs/dbraw/zinc/71/87/60/1131718760.db2.gz GOKYEAMWRHELQP-IUCAKERBSA-N 0 0 291.288 3.756 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1O)[C@@H](O)C(C)C ZINC000840880322 1132300161 /nfs/dbraw/zinc/30/01/61/1132300161.db2.gz BWQAIVBOFRPPNP-UXLLHSPISA-N 0 0 279.424 3.537 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CCCS1)c1ccc(Cl)cc1[O-] ZINC000841761576 1132395752 /nfs/dbraw/zinc/39/57/52/1132395752.db2.gz YNZZWDBLYBOWNS-GXSJLCMTSA-N 0 0 271.813 3.592 20 10 CHCDRN Oc1cccc2c1CN(Cc1ccsc1Cl)CC2 ZINC001233059644 1132569418 /nfs/dbraw/zinc/56/94/18/1132569418.db2.gz WSRASIMNQZBQLL-UHFFFAOYSA-N 0 0 279.792 3.665 20 10 CHCDRN [O-]c1ccc(F)c(F)c1C[NH+]1CCCCCCCC1 ZINC001233335959 1132602867 /nfs/dbraw/zinc/60/28/67/1132602867.db2.gz SOPLJHOMVGKJMH-UHFFFAOYSA-N 0 0 269.335 3.827 20 10 CHCDRN CCC[N@@H+](Cc1cc(Cl)c(F)cc1[O-])CC1CC1 ZINC001204154121 1133412307 /nfs/dbraw/zinc/41/23/07/1133412307.db2.gz MLFQTDWCEQWFIA-UHFFFAOYSA-N 0 0 271.763 3.807 20 10 CHCDRN CCOC1CC(CC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841752232 1125584513 /nfs/dbraw/zinc/58/45/13/1125584513.db2.gz NJOMQCHVMUDPNJ-LKSINWNRSA-N 0 0 297.826 3.901 20 10 CHCDRN C[C@H]([NH2+]CCCC(F)(F)F)c1c([O-])cccc1F ZINC000886534303 1125685320 /nfs/dbraw/zinc/68/53/20/1125685320.db2.gz FNICDVSSRFRRAX-QMMMGPOBSA-N 0 0 265.250 3.524 20 10 CHCDRN COC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886547474 1125688340 /nfs/dbraw/zinc/68/83/40/1125688340.db2.gz LYQJWJPEUIVLCE-WFASDCNBSA-N 0 0 289.350 3.570 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCOC2(CCCC2)C1)c1c([O-])cccc1F ZINC000886551467 1125690064 /nfs/dbraw/zinc/69/00/64/1125690064.db2.gz IKGHQKDAMHRTTG-STQMWFEESA-N 0 0 293.382 3.674 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1c([O-])cccc1F ZINC000886552233 1125690334 /nfs/dbraw/zinc/69/03/34/1125690334.db2.gz XARXQEQWAHLCII-UWVGGRQHSA-N 0 0 273.298 3.760 20 10 CHCDRN C[C@@H]([NH2+][C@H](c1cccnc1)C1CC1)c1c([O-])cccc1F ZINC000886557256 1125690512 /nfs/dbraw/zinc/69/05/12/1125690512.db2.gz XAJDPAQIHMDLAY-DIFFPNOSSA-N 0 0 286.350 3.728 20 10 CHCDRN C[C@@H]([NH2+]CC(C)(C)c1ccccn1)c1c([O-])cccc1F ZINC000886615396 1125698058 /nfs/dbraw/zinc/69/80/58/1125698058.db2.gz FNPTYCMMLFQBSK-GFCCVEGCSA-N 0 0 288.366 3.555 20 10 CHCDRN Cc1c(N[C@@H](C)c2c(O)cccc2F)cnn1CC(C)C ZINC000886580808 1125693048 /nfs/dbraw/zinc/69/30/48/1125693048.db2.gz YMIYLCADLSKBRA-NSHDSACASA-N 0 0 291.370 3.865 20 10 CHCDRN CC(C)C[C@@H]1C[C@@H]([NH2+][C@H](C)c2c([O-])cccc2F)CCO1 ZINC000886580247 1125693068 /nfs/dbraw/zinc/69/30/68/1125693068.db2.gz BFHQOHLKHGFNQP-HZSPNIEDSA-N 0 0 295.398 3.776 20 10 CHCDRN Cc1cccc(CCC[NH2+][C@@H](C)c2c([O-])cccc2F)n1 ZINC000886609123 1125697053 /nfs/dbraw/zinc/69/70/53/1125697053.db2.gz MLASGARGWFNZCN-ZDUSSCGKSA-N 0 0 288.366 3.518 20 10 CHCDRN C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1c([O-])cccc1F ZINC000886638124 1125701245 /nfs/dbraw/zinc/70/12/45/1125701245.db2.gz MMNAIRZLBIBAMI-TVQRCGJNSA-N 0 0 273.298 3.617 20 10 CHCDRN C[C@@H](Nc1cccc(CCCO)c1)c1ccc(F)cc1O ZINC000139032772 1125719541 /nfs/dbraw/zinc/71/95/41/1125719541.db2.gz OMRMULQDSONLSX-GFCCVEGCSA-N 0 0 289.350 3.629 20 10 CHCDRN CCCC(=CC(=O)NCc1cccc(OC)c1O)CCC ZINC000092515923 1125759583 /nfs/dbraw/zinc/75/95/83/1125759583.db2.gz KQNVGVUXQMJOLX-UHFFFAOYSA-N 0 0 291.391 3.544 20 10 CHCDRN COc1cc(N[C@@H](C)c2ccc(F)cc2O)ccc1F ZINC000159954001 1126760571 /nfs/dbraw/zinc/76/05/71/1126760571.db2.gz JNCPWCBIOHNJQU-VIFPVBQESA-N 0 0 279.286 3.852 20 10 CHCDRN COc1cc(NCc2cccc(Cl)c2O)ccc1F ZINC000160017065 1126762330 /nfs/dbraw/zinc/76/23/30/1126762330.db2.gz UWTHKDBVRCGSBD-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN CC(C)(C)c1cnc(SCN2CCCCC2=O)s1 ZINC000180514020 1126845825 /nfs/dbraw/zinc/84/58/25/1126845825.db2.gz MPXAHNGMQKFGSG-UHFFFAOYSA-N 0 0 284.450 3.503 20 10 CHCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1CC1 ZINC000181578156 1126857611 /nfs/dbraw/zinc/85/76/11/1126857611.db2.gz GEQPBKQZJJKDFQ-CQSZACIVSA-N 0 0 295.382 3.892 20 10 CHCDRN Cc1ccc(C[C@H](C)C(=O)N(C)Cc2ccccc2O)cc1 ZINC000182407171 1126871620 /nfs/dbraw/zinc/87/16/20/1126871620.db2.gz AUAFXDNUJRCGLV-HNNXBMFYSA-N 0 0 297.398 3.538 20 10 CHCDRN CCOc1ccc(CNc2cncc(SC)c2)c(O)c1 ZINC000905414993 1126900837 /nfs/dbraw/zinc/90/08/37/1126900837.db2.gz SIAGGSBAFHWUCB-UHFFFAOYSA-N 0 0 290.388 3.520 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1[O-])c1ccncc1 ZINC000187733990 1126913919 /nfs/dbraw/zinc/91/39/19/1126913919.db2.gz VNUHODCIXZNUAX-HZMBPMFUSA-N 0 0 292.329 3.867 20 10 CHCDRN Cn1ccc2ccc(-c3cnc(C(F)(F)F)nc3)cc21 ZINC001240573912 1126942383 /nfs/dbraw/zinc/94/23/83/1126942383.db2.gz NAAOLLMKWGZCPZ-UHFFFAOYSA-N 0 0 277.249 3.654 20 10 CHCDRN Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])o1 ZINC000191186077 1126949409 /nfs/dbraw/zinc/94/94/09/1126949409.db2.gz NAGBYIOKOXCMBM-NXEZZACHSA-N 0 0 281.302 3.984 20 10 CHCDRN CC(C)C(C)(C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000783314196 1130815939 /nfs/dbraw/zinc/81/59/39/1130815939.db2.gz JSABJXNRBKLSCE-LLVKDONJSA-N 0 0 280.368 3.633 20 10 CHCDRN Cc1cccc(CNc2ccc3c(c2)CCCC(=O)N3)c1O ZINC000777496406 1126980270 /nfs/dbraw/zinc/98/02/70/1126980270.db2.gz NWINBVSLBVFSPO-UHFFFAOYSA-N 0 0 296.370 3.588 20 10 CHCDRN CN1CCN(Cc2cccc(Cl)c2O)c2ccccc21 ZINC000166375328 1126993487 /nfs/dbraw/zinc/99/34/87/1126993487.db2.gz UJVSFLQJCRQBHS-UHFFFAOYSA-N 0 0 288.778 3.502 20 10 CHCDRN CC(C)(C)c1cnc(Sc2ncc(F)cn2)s1 ZINC000269522296 1127041269 /nfs/dbraw/zinc/04/12/69/1127041269.db2.gz WDADCEFWVACEQC-UHFFFAOYSA-N 0 0 269.370 3.521 20 10 CHCDRN CC[C@H](C)[N@H+](C)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236789097 1131006245 /nfs/dbraw/zinc/00/62/45/1131006245.db2.gz CBCYCAJHELTVNP-QMMMGPOBSA-N 0 0 262.180 3.929 20 10 CHCDRN CC1(C)CN(Cc2cc(Cl)c(Cl)cc2O)C1 ZINC001236792155 1131008756 /nfs/dbraw/zinc/00/87/56/1131008756.db2.gz CLTVOUGTMKHZLQ-UHFFFAOYSA-N 0 0 260.164 3.541 20 10 CHCDRN CCc1ccc(CN2CC(F)(F)C[C@]2(C)CF)c(O)c1 ZINC001236783083 1131007071 /nfs/dbraw/zinc/00/70/71/1131007071.db2.gz HVLUVKXFNDFYEK-CQSZACIVSA-N 0 0 287.325 3.524 20 10 CHCDRN C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(Cl)cc2[O-])C1 ZINC001236792145 1131008479 /nfs/dbraw/zinc/00/84/79/1131008479.db2.gz CHDJGYXIHZQHGK-SECBINFHSA-N 0 0 274.191 3.931 20 10 CHCDRN CC(C)Cc1ccc(C(=O)Nc2ccc(N)cc2)s1 ZINC000911661297 1127085252 /nfs/dbraw/zinc/08/52/52/1127085252.db2.gz UJWZSBILOMFAOC-UHFFFAOYSA-N 0 0 274.389 3.781 20 10 CHCDRN CCC1CC[NH+](Cc2ccc(OC)c(Cl)c2[O-])CC1 ZINC001236804386 1131012036 /nfs/dbraw/zinc/01/20/36/1131012036.db2.gz YSJKCFAWEIIZQA-UHFFFAOYSA-N 0 0 283.799 3.676 20 10 CHCDRN COc1ccc(C[NH+]2CCC(C)(C)CC2)c([O-])c1Cl ZINC001236813900 1131012068 /nfs/dbraw/zinc/01/20/68/1131012068.db2.gz RGZSOCNRBLPEMN-UHFFFAOYSA-N 0 0 283.799 3.676 20 10 CHCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001237082767 1131047858 /nfs/dbraw/zinc/04/78/58/1131047858.db2.gz UVQHZFMWFQANBH-DKCNOQQISA-N 0 0 290.165 3.631 20 10 CHCDRN C[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000798963055 1131064113 /nfs/dbraw/zinc/06/41/13/1131064113.db2.gz WENOGKQGQREXPZ-VHSXEESVSA-N 0 0 271.763 3.711 20 10 CHCDRN CC(C)OCCSc1ncc(C(C)(C)C)s1 ZINC000164068509 1127152354 /nfs/dbraw/zinc/15/23/54/1127152354.db2.gz NDTYFIDETXNGED-UHFFFAOYSA-N 0 0 259.440 3.958 20 10 CHCDRN CCc1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000156419404 1127154944 /nfs/dbraw/zinc/15/49/44/1127154944.db2.gz ISEYBTWTQQYZGH-LBPRGKRZSA-N 0 0 289.448 3.622 20 10 CHCDRN COCCCCSc1ncc(C(C)(C)C)s1 ZINC000164346443 1127161808 /nfs/dbraw/zinc/16/18/08/1127161808.db2.gz OCQKVQRAVHBXFV-UHFFFAOYSA-N 0 0 259.440 3.959 20 10 CHCDRN CN(C)c1ccc(CNc2nccc3occc32)cc1 ZINC000156722148 1127178201 /nfs/dbraw/zinc/17/82/01/1127178201.db2.gz DMCQJQMHMVNNPH-UHFFFAOYSA-N 0 0 267.332 3.506 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CCCCS1 ZINC000816566973 1131112148 /nfs/dbraw/zinc/11/21/48/1131112148.db2.gz MWCDVJAUMIFCPI-JTQLQIEISA-N 0 0 289.803 3.560 20 10 CHCDRN CC[C@H]([NH2+]CC(C)(C)CCOC)c1ccc(F)cc1[O-] ZINC000285944193 1127248179 /nfs/dbraw/zinc/24/81/79/1127248179.db2.gz DOQJJJNKUVULEL-AWEZNQCLSA-N 0 0 283.387 3.635 20 10 CHCDRN CC[C@H]([NH2+]CC1(CCOC)CCC1)c1ccc(F)cc1[O-] ZINC000286000029 1127251822 /nfs/dbraw/zinc/25/18/22/1127251822.db2.gz IOEUHZIYEUTJFB-HNNXBMFYSA-N 0 0 295.398 3.779 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc(F)cc1[O-] ZINC000286047312 1127256430 /nfs/dbraw/zinc/25/64/30/1127256430.db2.gz KBBKOTALXYYLCR-ZFWWWQNUSA-N 0 0 293.382 3.674 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCO[C@H](C(C)C)C1)c1ccc(F)cc1[O-] ZINC000286160207 1127261377 /nfs/dbraw/zinc/26/13/77/1127261377.db2.gz PWBHGADTXDQOIC-KMFMINBZSA-N 0 0 295.398 3.776 20 10 CHCDRN CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cccc(Cl)c1[O-] ZINC000287201976 1127296369 /nfs/dbraw/zinc/29/63/69/1127296369.db2.gz WJLWNGDNUYFXGG-ZOWXZIJZSA-N 0 0 297.826 3.759 20 10 CHCDRN CC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1cccc(Cl)c1[O-] ZINC000287306132 1127300274 /nfs/dbraw/zinc/30/02/74/1127300274.db2.gz CSNFLNWAGXNLSB-RISCZKNCSA-N 0 0 299.842 3.883 20 10 CHCDRN CCCn1cc(N[C@@H](CC)c2ccccc2O)cn1 ZINC000157378013 1127306802 /nfs/dbraw/zinc/30/68/02/1127306802.db2.gz OOGOYFZRUYTRKY-AWEZNQCLSA-N 0 0 259.353 3.562 20 10 CHCDRN Cc1cccc(CCC[NH2+][C@H](C)c2ccc(F)cc2[O-])n1 ZINC000287654267 1127311698 /nfs/dbraw/zinc/31/16/98/1127311698.db2.gz VCMSJVHDEDOTTO-CYBMUJFWSA-N 0 0 288.366 3.518 20 10 CHCDRN CO[C@H]1Cc2ccc(N[C@@H](C)c3ccccc3O)cc2C1 ZINC000760889039 1127316313 /nfs/dbraw/zinc/31/63/13/1127316313.db2.gz UKMGBGQXNAPICW-LRDDRELGSA-N 0 0 283.371 3.679 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cccc(Cl)c1[O-] ZINC000287683894 1127311972 /nfs/dbraw/zinc/31/19/72/1127311972.db2.gz MTJUJPIJYLILAV-JMSVASOKSA-N 0 0 297.826 3.901 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCCOCC1)c1cccc(Cl)c1[O-] ZINC000287723122 1127312829 /nfs/dbraw/zinc/31/28/29/1127312829.db2.gz ORVFEIIURAXGLS-RISCZKNCSA-N 0 0 283.799 3.655 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ccoc1)c1cccc(Cl)c1[O-] ZINC000287886491 1127314201 /nfs/dbraw/zinc/31/42/01/1127314201.db2.gz YRMNSBSOBBAMSQ-CYBMUJFWSA-N 0 0 265.740 3.880 20 10 CHCDRN Fc1ccc(NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000225942413 1127360584 /nfs/dbraw/zinc/36/05/84/1127360584.db2.gz HYNPVKGDSCEFDP-UHFFFAOYSA-N 0 0 285.366 3.823 20 10 CHCDRN Cc1cccc(CNc2ccc(-c3cnco3)cc2)c1O ZINC000158016672 1127414692 /nfs/dbraw/zinc/41/46/92/1127414692.db2.gz VLFQCNYQBVPCHH-UHFFFAOYSA-N 0 0 280.327 3.968 20 10 CHCDRN CCN(CC)c1ccc(NCc2cccc(C)c2O)cn1 ZINC000158139283 1127451560 /nfs/dbraw/zinc/45/15/60/1127451560.db2.gz PNKUNZYGLCJSOA-UHFFFAOYSA-N 0 0 285.391 3.554 20 10 CHCDRN CC(C)=CCC[C@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC001308773118 1127464952 /nfs/dbraw/zinc/46/49/52/1127464952.db2.gz AAYOYTPRUYJYSA-NSHDSACASA-N 0 0 269.335 3.895 20 10 CHCDRN CCSCC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000168807496 1127471401 /nfs/dbraw/zinc/47/14/01/1127471401.db2.gz ISRPPBGPGPUQNW-GHMZBOCLSA-N 0 0 271.401 3.714 20 10 CHCDRN COc1ccc(N(C)[C@@H](C)Cc2ccsc2)cc1OC ZINC000761222912 1127547214 /nfs/dbraw/zinc/54/72/14/1127547214.db2.gz YCFBHRXDGNLXOG-LBPRGKRZSA-N 0 0 291.416 3.833 20 10 CHCDRN CCC(CC)[C@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000761229318 1127553809 /nfs/dbraw/zinc/55/38/09/1127553809.db2.gz JEYOMRNWEVUEDZ-AWEZNQCLSA-N 0 0 290.451 3.783 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](C)C(C)(F)F ZINC000294741306 1127595508 /nfs/dbraw/zinc/59/55/08/1127595508.db2.gz QSQGGLCRXXEFMO-GFCCVEGCSA-N 0 0 299.361 3.812 20 10 CHCDRN Cc1cc(C)c([C@H](C)Nc2cnn(CC(F)F)c2)c(O)c1 ZINC000294900477 1127606959 /nfs/dbraw/zinc/60/69/59/1127606959.db2.gz VWOXDUGHBYQXCA-NSHDSACASA-N 0 0 295.333 3.644 20 10 CHCDRN Cc1ccc(O)c(CNc2ccccc2OCCF)c1 ZINC000295109194 1127620585 /nfs/dbraw/zinc/62/05/85/1127620585.db2.gz LJTRIAFFRQRUHW-UHFFFAOYSA-N 0 0 275.323 3.661 20 10 CHCDRN CCN(CC)c1ccc(CN[C@H]2C[C@H](C)n3ccnc32)cc1 ZINC000295210668 1127627834 /nfs/dbraw/zinc/62/78/34/1127627834.db2.gz LMLPEQCBPQHOIZ-YOEHRIQHSA-N 0 0 298.434 3.525 20 10 CHCDRN CC(C)(C)[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CCO1 ZINC001308983122 1127632557 /nfs/dbraw/zinc/63/25/57/1127632557.db2.gz ADBMOWGECIUKBO-AWEZNQCLSA-N 0 0 297.826 3.683 20 10 CHCDRN Nc1ccc(NC(=O)N2CCC3(CCCCC3)CC2)cc1 ZINC000061822811 1127719201 /nfs/dbraw/zinc/71/92/01/1127719201.db2.gz RBDWHPIHYGMPJC-UHFFFAOYSA-N 0 0 287.407 3.847 20 10 CHCDRN Cc1cc(C(=O)N(C)[C@@H](C)C(C)C)c(C)n1-c1ccccn1 ZINC000298442925 1127723460 /nfs/dbraw/zinc/72/34/60/1127723460.db2.gz VACWEEKXRBBYHJ-AWEZNQCLSA-N 0 0 299.418 3.606 20 10 CHCDRN CC[C@@H](C)CN(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000171866862 1127733027 /nfs/dbraw/zinc/73/30/27/1127733027.db2.gz HKBCJRLIQIYEFQ-CYBMUJFWSA-N 0 0 299.418 3.607 20 10 CHCDRN Cc1cc(CCNC(=O)C(C)(C)C)c(C)n1-c1ccccc1 ZINC000062576715 1127760749 /nfs/dbraw/zinc/76/07/49/1127760749.db2.gz HLMNELOKBPNFSF-UHFFFAOYSA-N 0 0 298.430 3.799 20 10 CHCDRN C[C@H](Nc1ccc(F)c(F)c1)c1ccc(F)cc1O ZINC000062744854 1127772159 /nfs/dbraw/zinc/77/21/59/1127772159.db2.gz AGGOYKPONYPZMT-QMMMGPOBSA-N 0 0 267.250 3.983 20 10 CHCDRN CCC(CC)[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])N(C)C ZINC000062745412 1127772886 /nfs/dbraw/zinc/77/28/86/1127772886.db2.gz LKEZYHLUGSIEKX-MLGOLLRUSA-N 0 0 296.430 3.548 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1ccc(F)cc1[O-] ZINC000062745136 1127773099 /nfs/dbraw/zinc/77/30/99/1127773099.db2.gz IUSQLUHBZOBLBR-NWDGAFQWSA-N 0 0 277.339 3.796 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccc(F)cc1[O-] ZINC000062747636 1127773660 /nfs/dbraw/zinc/77/36/60/1127773660.db2.gz BRBFIYNDTGJHTP-WCQYABFASA-N 0 0 271.335 3.522 20 10 CHCDRN COc1ccc2ccc(O)c(C[N@H+](C)C3CCC3)c2c1 ZINC000172963395 1127798243 /nfs/dbraw/zinc/79/82/43/1127798243.db2.gz JDODWRDWFVQUMI-UHFFFAOYSA-N 0 0 271.360 3.538 20 10 CHCDRN CCC(CC)[C@H](C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000761402109 1127931293 /nfs/dbraw/zinc/93/12/93/1127931293.db2.gz HJVOXAAUDLURFA-LBPRGKRZSA-N 0 0 294.414 3.580 20 10 CHCDRN CC(C)(CC(=O)Nc1ccc(N)cc1)CC(F)(F)F ZINC000884008767 1127933425 /nfs/dbraw/zinc/93/34/25/1127933425.db2.gz BAKQSPUKUMDTKJ-UHFFFAOYSA-N 0 0 274.286 3.576 20 10 CHCDRN Cc1ccccc1[C@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000784285841 1127958283 /nfs/dbraw/zinc/95/82/83/1127958283.db2.gz FFSYQMXUTCUVEW-FROQITRMSA-N 0 0 298.338 3.724 20 10 CHCDRN CCCN(Cc1cc(Cl)ccc1O)CC(F)F ZINC000092737483 1128127205 /nfs/dbraw/zinc/12/72/05/1128127205.db2.gz WMGUOAROLHFUPA-UHFFFAOYSA-N 0 0 263.715 3.523 20 10 CHCDRN CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])C1CC1 ZINC000324207781 1128160439 /nfs/dbraw/zinc/16/04/39/1128160439.db2.gz CJUROFCSBPOJQB-ZUZCIYMTSA-N 0 0 251.345 3.617 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCCc2cccnc21)c1ccc(N(C)C)cc1 ZINC000927063360 1128213176 /nfs/dbraw/zinc/21/31/76/1128213176.db2.gz WZXVEDDHPSITEE-KSSFIOAISA-N 0 0 295.430 3.876 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1ccc(N(C)C)cc1 ZINC000927063359 1128213263 /nfs/dbraw/zinc/21/32/63/1128213263.db2.gz WZXVEDDHPSITEE-KDOFPFPSSA-N 0 0 295.430 3.876 20 10 CHCDRN C[C@H](NC(=O)C[C@@H]1C=CCCC1)c1ccc(N(C)C)cc1 ZINC000777793942 1128277558 /nfs/dbraw/zinc/27/75/58/1128277558.db2.gz RUHAZTLXHNMSLE-LSDHHAIUSA-N 0 0 286.419 3.676 20 10 CHCDRN COc1ccc(N(C)Cc2coc(C(C)(C)C)n2)cc1F ZINC000929828260 1128289103 /nfs/dbraw/zinc/28/91/03/1128289103.db2.gz YGDHXCWWJKYEPS-UHFFFAOYSA-N 0 0 292.354 3.756 20 10 CHCDRN CCOc1ccc(N(CC)Cc2ccc(Cl)nn2)cc1 ZINC000929912742 1128293380 /nfs/dbraw/zinc/29/33/80/1128293380.db2.gz FCQDTDIHFLVQFP-UHFFFAOYSA-N 0 0 291.782 3.555 20 10 CHCDRN Cc1cc(C(=O)NC[C@@H]2C[C@H]2C)c(C)n1-c1ccccc1C ZINC000915290251 1128301373 /nfs/dbraw/zinc/30/13/73/1128301373.db2.gz ZBUIYQFZNCFUKG-CJNGLKHVSA-N 0 0 296.414 3.788 20 10 CHCDRN Cc1ccc(/C=C/C(=O)N(CC2CC2)c2ccccc2)cn1 ZINC000777868455 1128298907 /nfs/dbraw/zinc/29/89/07/1128298907.db2.gz WOICNQHZJKEVOJ-VAWYXSNFSA-N 0 0 292.382 3.846 20 10 CHCDRN COc1ccc(O)c([C@H](C)NC(=O)/C=C(/C)C(C)(C)C)c1 ZINC000762804100 1128318377 /nfs/dbraw/zinc/31/83/77/1128318377.db2.gz FUSPMASUSBZKGR-MMRAYRKESA-N 0 0 291.391 3.570 20 10 CHCDRN CCCC[C@H](CC)CNC(=O)N(C)Cc1ccccc1O ZINC000915879253 1128383570 /nfs/dbraw/zinc/38/35/70/1128383570.db2.gz JZISQNDIKNCGHV-AWEZNQCLSA-N 0 0 292.423 3.750 20 10 CHCDRN CCCC[C@@H](CC)CNC(=O)N(C)Cc1ccccc1O ZINC000915879254 1128383839 /nfs/dbraw/zinc/38/38/39/1128383839.db2.gz JZISQNDIKNCGHV-CQSZACIVSA-N 0 0 292.423 3.750 20 10 CHCDRN CC(C)c1ccc(NC(=O)CSc2nccs2)cc1 ZINC000916095335 1128406751 /nfs/dbraw/zinc/40/67/51/1128406751.db2.gz WQARBCRCCXLEKE-UHFFFAOYSA-N 0 0 292.429 3.997 20 10 CHCDRN Oc1ccc(Cl)cc1CNc1cccc2c1CCO2 ZINC000690265010 1128423342 /nfs/dbraw/zinc/42/33/42/1128423342.db2.gz QHUMJGOFSYMGEJ-UHFFFAOYSA-N 0 0 275.735 3.593 20 10 CHCDRN c1csc(SC[C@@H]2CCC3(CCC3)CO2)n1 ZINC000916759285 1128454618 /nfs/dbraw/zinc/45/46/18/1128454618.db2.gz IRLKXIXIQODJLA-JTQLQIEISA-N 0 0 255.408 3.585 20 10 CHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccccn1 ZINC000917391471 1128497791 /nfs/dbraw/zinc/49/77/91/1128497791.db2.gz ZDBIYOPQILYGRK-UHFFFAOYSA-N 0 0 297.383 3.803 20 10 CHCDRN c1cc2nc(-c3ccc(N4CCCCC4)cc3)nc-2c[nH]1 ZINC000154594004 1128528798 /nfs/dbraw/zinc/52/87/98/1128528798.db2.gz IOJSTTYBJIKILF-UHFFFAOYSA-N 0 0 278.359 3.615 20 10 CHCDRN CCC(CC)(CC)CNC(=O)N(C)Cc1ccccc1O ZINC000154704471 1128542300 /nfs/dbraw/zinc/54/23/00/1128542300.db2.gz GQJKUHKMEWTHMD-UHFFFAOYSA-N 0 0 292.423 3.750 20 10 CHCDRN Cc1ccc(Cl)cc1NCc1cc2c(cc1O)OCO2 ZINC000042878988 1128588229 /nfs/dbraw/zinc/58/82/29/1128588229.db2.gz WBYYXBLMYMADDD-UHFFFAOYSA-N 0 0 291.734 3.695 20 10 CHCDRN CCn1nc(C)c(CSc2ncc(C(C)(C)C)s2)n1 ZINC000829297455 1128602798 /nfs/dbraw/zinc/60/27/98/1128602798.db2.gz BAJPCROWYSSCGM-UHFFFAOYSA-N 0 0 296.465 3.653 20 10 CHCDRN Cc1ccc(NC(=S)NCc2ncc(C)cc2C)c(C)c1 ZINC000244022816 1128608177 /nfs/dbraw/zinc/60/81/77/1128608177.db2.gz SPYZNQSNFZAEAM-UHFFFAOYSA-N 0 0 299.443 3.802 20 10 CHCDRN Cc1ccc(O)c(CNc2nccc3sccc32)c1 ZINC000158969254 1128672780 /nfs/dbraw/zinc/67/27/80/1128672780.db2.gz XIROGKGXJMCIBE-UHFFFAOYSA-N 0 0 270.357 3.922 20 10 CHCDRN C[C@H]1CCC[C@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000159175063 1128675612 /nfs/dbraw/zinc/67/56/12/1128675612.db2.gz SHEKWDYKVYYYOQ-HOCLYGCPSA-N 0 0 288.435 3.537 20 10 CHCDRN Cc1cncc(/C=C/C(=O)N2CCSc3ccccc32)c1 ZINC000159805197 1128729624 /nfs/dbraw/zinc/72/96/24/1128729624.db2.gz LAVDAGVBKPAEPR-VOTSOKGWSA-N 0 0 296.395 3.542 20 10 CHCDRN CC(C)c1ccc(N(C)C(=O)/C=C/c2cccnc2)cc1 ZINC000763747151 1117747742 /nfs/dbraw/zinc/74/77/42/1117747742.db2.gz YUQNNEQDJAKRKS-IZZDOVSWSA-N 0 0 280.371 3.881 20 10 CHCDRN CC[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001307682070 1117906475 /nfs/dbraw/zinc/90/64/75/1117906475.db2.gz FOAWGLHJKIPCTF-XHDPSFHLSA-N 0 0 295.810 3.917 20 10 CHCDRN Cc1ccc(O)c(CNc2cnc(Cl)cc2C)c1 ZINC000186052663 1117974850 /nfs/dbraw/zinc/97/48/50/1117974850.db2.gz RUOUBJXSSFNKOP-UHFFFAOYSA-N 0 0 262.740 3.670 20 10 CHCDRN CCN(C(=O)/C=C/c1scnc1C)c1ccccc1C ZINC000186068181 1117981344 /nfs/dbraw/zinc/98/13/44/1117981344.db2.gz KIOLBAQTYYPZDY-MDZDMXLPSA-N 0 0 286.400 3.826 20 10 CHCDRN CCC[C@@H](C)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000728222506 1118016560 /nfs/dbraw/zinc/01/65/60/1118016560.db2.gz HGFZPQQKVQGCEX-OAHLLOKOSA-N 0 0 290.451 3.927 20 10 CHCDRN Cc1ccc([C@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)c(O)c1 ZINC000186138379 1118021546 /nfs/dbraw/zinc/02/15/46/1118021546.db2.gz QCOVOOKHTLFSKA-AWEZNQCLSA-N 0 0 299.418 3.863 20 10 CHCDRN C[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)CC1 ZINC000211394480 1118025545 /nfs/dbraw/zinc/02/55/45/1118025545.db2.gz GRTAKSSLKHDWKH-LLVKDONJSA-N 0 0 298.224 3.777 20 10 CHCDRN Cc1cc(Cl)cc(CN2CC[C@H](C)[C@@H](F)C2)c1O ZINC000779149043 1128752555 /nfs/dbraw/zinc/75/25/55/1128752555.db2.gz KCRWFMMGTAKMNI-ZANVPECISA-N 0 0 271.763 3.534 20 10 CHCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1[O-])c1cccc(O)c1 ZINC000763467380 1128755092 /nfs/dbraw/zinc/75/50/92/1128755092.db2.gz CNXDXZBWUPRZJE-SECBINFHSA-N 0 0 295.741 3.741 20 10 CHCDRN COc1ccc(Sc2ncc(Cl)s2)cc1 ZINC000764999774 1118129497 /nfs/dbraw/zinc/12/94/97/1118129497.db2.gz JLSVMNFTDRSWMQ-UHFFFAOYSA-N 0 0 257.767 3.956 20 10 CHCDRN CC[C@H]1CCC[C@]1(C)C(=O)NCc1cc(C)ccc1O ZINC001167293741 1118184998 /nfs/dbraw/zinc/18/49/98/1118184998.db2.gz QGYOTCLGHIVIAS-YOEHRIQHSA-N 0 0 275.392 3.533 20 10 CHCDRN Cc1ccc(C2(NC(=O)Nc3ccc(N)cc3)CCC2)cc1 ZINC000843043453 1118311159 /nfs/dbraw/zinc/31/11/59/1118311159.db2.gz TYIPQMWZQFMKIY-UHFFFAOYSA-N 0 0 295.386 3.778 20 10 CHCDRN CCc1ccccc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000084199925 1118372163 /nfs/dbraw/zinc/37/21/63/1118372163.db2.gz VKHFKJZDRZWFHB-GFCCVEGCSA-N 0 0 273.351 3.945 20 10 CHCDRN COc1cccc(CNc2cccc(-c3ncco3)c2)c1O ZINC000160395241 1118390322 /nfs/dbraw/zinc/39/03/22/1118390322.db2.gz YAXZQIZLOWBVCX-UHFFFAOYSA-N 0 0 296.326 3.668 20 10 CHCDRN C/C(=C/c1cccnc1)C(=O)N1CCC=Cc2ccccc21 ZINC001128008215 1118396188 /nfs/dbraw/zinc/39/61/88/1118396188.db2.gz SKEWRHVDVSRFBI-SQFISAMPSA-N 0 0 290.366 3.935 20 10 CHCDRN COc1c(F)cc(N[C@H](C)c2ccc(F)cc2O)cc1F ZINC000186284671 1118409673 /nfs/dbraw/zinc/40/96/73/1118409673.db2.gz QMVARTBMSIRVQR-MRVPVSSYSA-N 0 0 297.276 3.991 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](C)C2CC2)cc1 ZINC001125453421 1118469683 /nfs/dbraw/zinc/46/96/83/1118469683.db2.gz LQYUWNXJBHGLNE-ZDUSSCGKSA-N 0 0 296.414 3.870 20 10 CHCDRN CN(C(=O)/C=C\c1cccnc1)c1ccc(F)c(Cl)c1 ZINC000588387726 1118502299 /nfs/dbraw/zinc/50/22/99/1118502299.db2.gz SBRSYQCUAHOABJ-DAXSKMNVSA-N 0 0 290.725 3.550 20 10 CHCDRN Cc1cnc(COc2ccc3c(c2)c2c(n3C)CCCC2)o1 ZINC000647164493 1118620723 /nfs/dbraw/zinc/62/07/23/1118620723.db2.gz XNCGGRSNIAJFKY-UHFFFAOYSA-N 0 0 296.370 3.933 20 10 CHCDRN CN(C)c1ccc(CNC(=O)/C=C\C2CCCCC2)cc1 ZINC000255365698 1118675171 /nfs/dbraw/zinc/67/51/71/1118675171.db2.gz BVZXCVLLOWAWOU-RAXLEYEMSA-N 0 0 286.419 3.505 20 10 CHCDRN CC(C)(C)CN(C(=O)/C=C\c1cccnc1)c1ccccn1 ZINC000891502482 1118697784 /nfs/dbraw/zinc/69/77/84/1118697784.db2.gz PVJAUEALORFEMM-KTKRTIGZSA-N 0 0 295.386 3.569 20 10 CHCDRN CC(C)[C@@H]1CCC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000780495424 1118712672 /nfs/dbraw/zinc/71/26/72/1118712672.db2.gz DTYNOFBEWKQLBQ-OAHLLOKOSA-N 0 0 284.403 3.808 20 10 CHCDRN CCC[C@H]1CCCC[C@H]1NC(=O)NCc1ccccc1O ZINC000728397715 1118809301 /nfs/dbraw/zinc/80/93/01/1118809301.db2.gz UULBAYTXAKBOLS-DZGCQCFKSA-N 0 0 290.407 3.550 20 10 CHCDRN CCC[C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1O ZINC000728397720 1118809931 /nfs/dbraw/zinc/80/99/31/1118809931.db2.gz UULBAYTXAKBOLS-UKRRQHHQSA-N 0 0 290.407 3.550 20 10 CHCDRN CC(C)CC(C)(C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000084579485 1118957299 /nfs/dbraw/zinc/95/72/99/1118957299.db2.gz POKCWPIPSORJDD-UHFFFAOYSA-N 0 0 290.451 3.783 20 10 CHCDRN CCCOc1ccc(NCc2cc(OC)ccc2O)cc1 ZINC000051785283 1119127872 /nfs/dbraw/zinc/12/78/72/1119127872.db2.gz BCSQBWWTCWKMMM-UHFFFAOYSA-N 0 0 287.359 3.802 20 10 CHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)/C=C/C1CC1 ZINC000079368237 1119281070 /nfs/dbraw/zinc/28/10/70/1119281070.db2.gz VODSJFWNAUXHEB-FMIVXFBMSA-N 0 0 298.430 3.602 20 10 CHCDRN CCc1noc(C)c1COc1ccc(N2CCCC2)cc1 ZINC000123511742 1119296839 /nfs/dbraw/zinc/29/68/39/1119296839.db2.gz SWQACSRRLZJRSL-UHFFFAOYSA-N 0 0 286.375 3.725 20 10 CHCDRN C[C@@H]([NH2+]CCCC(F)(F)F)c1ccc(F)cc1[O-] ZINC000148599957 1119336652 /nfs/dbraw/zinc/33/66/52/1119336652.db2.gz IMJHWOIUCYLKAV-MRVPVSSYSA-N 0 0 265.250 3.524 20 10 CHCDRN C[C@H](CCCO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192949860 1119340536 /nfs/dbraw/zinc/34/05/36/1119340536.db2.gz CDZDJEMBHRJCLQ-RKDXNWHRSA-N 0 0 292.206 3.511 20 10 CHCDRN CC(C)Oc1ccc(F)c(Nc2cccc(O)c2O)c1 ZINC001212312629 1128841139 /nfs/dbraw/zinc/84/11/39/1128841139.db2.gz JCSKLJAWCSQZRB-UHFFFAOYSA-N 0 0 277.295 3.768 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)C[C@H](C)C2CC2)cc1 ZINC000144608637 1119639441 /nfs/dbraw/zinc/63/94/41/1119639441.db2.gz WMZHFWIFZAOAOJ-AWEZNQCLSA-N 0 0 288.435 3.585 20 10 CHCDRN Oc1ccccc1CN(CC1CCC1)CC(F)(F)F ZINC000179585411 1119751562 /nfs/dbraw/zinc/75/15/62/1119751562.db2.gz TUZZUJGEOSHUIW-UHFFFAOYSA-N 0 0 273.298 3.557 20 10 CHCDRN CN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccc(F)cc1 ZINC000255864404 1119782168 /nfs/dbraw/zinc/78/21/68/1119782168.db2.gz XSPLUAVUACWYBY-OQFOIZHKSA-N 0 0 290.725 3.550 20 10 CHCDRN [O-]c1c(F)cccc1C[NH+]1CCC(C2CCCC2)CC1 ZINC000708800443 1119865935 /nfs/dbraw/zinc/86/59/35/1119865935.db2.gz LCWNBRWLXXMXES-UHFFFAOYSA-N 0 0 277.383 3.934 20 10 CHCDRN C[C@@H](CO)NC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255903196 1119980892 /nfs/dbraw/zinc/98/08/92/1119980892.db2.gz FFXFYUDPFYHGMK-LBPRGKRZSA-N 0 0 298.346 3.604 20 10 CHCDRN CNc1ccccc1NCc1nccc2ccccc21 ZINC001167704159 1120013852 /nfs/dbraw/zinc/01/38/52/1120013852.db2.gz BWPJXIGFNMMASC-UHFFFAOYSA-N 0 0 263.344 3.889 20 10 CHCDRN Cc1ccc(O)c([C@@H](C)Nc2cnn(C(C)(C)C)c2)c1 ZINC000186357220 1120033395 /nfs/dbraw/zinc/03/33/95/1120033395.db2.gz IOLBOODCOAQJKU-GFCCVEGCSA-N 0 0 273.380 3.825 20 10 CHCDRN COc1ccc(O)c([C@@H](C)Nc2cnn(C(C)(C)C)c2)c1 ZINC000186357323 1120033962 /nfs/dbraw/zinc/03/39/62/1120033962.db2.gz KSXSSURAFZBOAB-LLVKDONJSA-N 0 0 289.379 3.525 20 10 CHCDRN COc1ccc(O)c([C@@H](C)Nc2cccc(C3CC3)n2)c1 ZINC000293512461 1120109194 /nfs/dbraw/zinc/10/91/94/1120109194.db2.gz AFVWCHXCBCAHJM-LLVKDONJSA-N 0 0 284.359 3.846 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)c1ccc(F)cc1[O-] ZINC000311847009 1120113324 /nfs/dbraw/zinc/11/33/24/1120113324.db2.gz ILKOZAQZFKUGPM-TVRADYJESA-N 0 0 263.356 3.761 20 10 CHCDRN Fc1ccc(F)c(C[NH2+]Cc2ccc3c(c2)CCCO3)c1 ZINC000921696850 1120134951 /nfs/dbraw/zinc/13/49/51/1120134951.db2.gz BFMMYEUGRAXWHP-UHFFFAOYSA-N 0 0 289.325 3.580 20 10 CHCDRN CCCCOc1ccc(C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000314172394 1120174365 /nfs/dbraw/zinc/17/43/65/1120174365.db2.gz ZTSQLAZDWKOYKN-UHFFFAOYSA-N 0 0 298.386 3.724 20 10 CHCDRN CCN(C/C(Cl)=C\Cl)c1ccc(OC)c(OC)c1 ZINC000763500235 1128902354 /nfs/dbraw/zinc/90/23/54/1128902354.db2.gz FXGOILMVXXEIOA-CSKARUKUSA-N 0 0 290.190 3.849 20 10 CHCDRN Cc1cc(O)c(CNc2nnc(CCC(C)C)o2)cc1C ZINC000181785424 1128904979 /nfs/dbraw/zinc/90/49/79/1128904979.db2.gz XDMGMYSBGQHEEP-UHFFFAOYSA-N 0 0 289.379 3.593 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cccc(C)n1 ZINC000181836997 1120307514 /nfs/dbraw/zinc/30/75/14/1120307514.db2.gz STXPQINCIBPOIU-UHFFFAOYSA-N 0 0 299.374 3.540 20 10 CHCDRN CCCCCC[C@H](C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000182523845 1120321727 /nfs/dbraw/zinc/32/17/27/1120321727.db2.gz MHVCTNYJOHOLLZ-ZDUSSCGKSA-N 0 0 293.407 3.711 20 10 CHCDRN C[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)c1ccc(N(C)C)cc1 ZINC000922013844 1120333166 /nfs/dbraw/zinc/33/31/66/1120333166.db2.gz COKGBRNKYSZVKM-CQSZACIVSA-N 0 0 298.434 3.525 20 10 CHCDRN CC(C)(C)c1cnc(SCC(=O)CC2CC2)s1 ZINC000783154767 1120375146 /nfs/dbraw/zinc/37/51/46/1120375146.db2.gz AHBJHOYROZHSHN-UHFFFAOYSA-N 0 0 269.435 3.902 20 10 CHCDRN C[C@@H]([NH2+]C1CCC2(CC2)CC1)c1ccc(F)cc1[O-] ZINC000695731474 1120414360 /nfs/dbraw/zinc/41/43/60/1120414360.db2.gz SWBZYZRBEABSJI-LLVKDONJSA-N 0 0 263.356 3.905 20 10 CHCDRN CCCC[C@H](C)[N@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000312605951 1120493051 /nfs/dbraw/zinc/49/30/51/1120493051.db2.gz FITBRCDPWNZKAY-NSHDSACASA-N 0 0 281.371 3.744 20 10 CHCDRN CCCN(Cc1ccccc1O)c1nc(C2CC2)ns1 ZINC000092686150 1120528747 /nfs/dbraw/zinc/52/87/47/1120528747.db2.gz JNMJWCYYUOKLRV-UHFFFAOYSA-N 0 0 289.404 3.538 20 10 CHCDRN COc1ccc(O)c([C@@H](C)Nc2ccccc2OC)c1 ZINC000019901966 1120546658 /nfs/dbraw/zinc/54/66/58/1120546658.db2.gz DNWKRMJVSLHVRH-LLVKDONJSA-N 0 0 273.332 3.583 20 10 CHCDRN Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000922666239 1120575558 /nfs/dbraw/zinc/57/55/58/1120575558.db2.gz YTIHMEBFWPHVFJ-JTQLQIEISA-N 0 0 295.304 3.969 20 10 CHCDRN Cc1cccc(CN(C)c2ccc(OC(C)C)cc2)n1 ZINC000759914093 1120622729 /nfs/dbraw/zinc/62/27/29/1120622729.db2.gz HHBXQQWOLIABIQ-UHFFFAOYSA-N 0 0 270.376 3.814 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)c1coc(C)c1 ZINC000282436224 1120665901 /nfs/dbraw/zinc/66/59/01/1120665901.db2.gz HSNUJNDZESZJQM-UHFFFAOYSA-N 0 0 287.359 3.736 20 10 CHCDRN CCCC[C@@](C)(F)C(=O)NCc1ccc(N(C)C)cc1C ZINC001126004677 1120697392 /nfs/dbraw/zinc/69/73/92/1120697392.db2.gz JAECWJNOMVRJNN-QGZVFWFLSA-N 0 0 294.414 3.596 20 10 CHCDRN CC(C)=CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000191627551 1128947359 /nfs/dbraw/zinc/94/73/59/1128947359.db2.gz OYDKNTCFMUTQAK-UHFFFAOYSA-N 0 0 260.164 3.755 20 10 CHCDRN CCc1cnc(CN(C)c2ccc(OC(C)C)cc2)o1 ZINC000759932943 1120902233 /nfs/dbraw/zinc/90/22/33/1120902233.db2.gz HHVLTPPDTLDUGG-UHFFFAOYSA-N 0 0 274.364 3.661 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2nnsc2Cl)cc1 ZINC000759934969 1120910517 /nfs/dbraw/zinc/91/05/17/1120910517.db2.gz ZBPHFDCLLLJWLQ-UHFFFAOYSA-N 0 0 297.811 3.615 20 10 CHCDRN CC(C)c1cccc(O[C@H](C)C(=O)Nc2ccc(N)cc2)c1 ZINC000022223969 1120980213 /nfs/dbraw/zinc/98/02/13/1120980213.db2.gz XGBLYGISOWGLMN-CYBMUJFWSA-N 0 0 298.386 3.798 20 10 CHCDRN CCN(Cc1cccc(C(=O)OC)c1)c1ccc(OC)cc1 ZINC001167835418 1121034787 /nfs/dbraw/zinc/03/47/87/1121034787.db2.gz QKBTYZVCDKHLKX-UHFFFAOYSA-N 0 0 299.370 3.508 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)C(C)C)cc1 ZINC000078730137 1128960242 /nfs/dbraw/zinc/96/02/42/1128960242.db2.gz UIXHAAHNHKZQNQ-UHFFFAOYSA-N 0 0 270.376 3.575 20 10 CHCDRN COc1cccc(CNc2ccc3ncccc3c2)c1O ZINC000054107900 1121108715 /nfs/dbraw/zinc/10/87/15/1121108715.db2.gz JLTWNPVDGXBURD-UHFFFAOYSA-N 0 0 280.327 3.561 20 10 CHCDRN COc1cccc(N[C@H](C)c2ccc(F)cc2O)c1F ZINC000701699294 1121164742 /nfs/dbraw/zinc/16/47/42/1121164742.db2.gz SRHRWGXOCIKVAM-SECBINFHSA-N 0 0 279.286 3.852 20 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20 10 CHCDRN Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703257234 1121242153 /nfs/dbraw/zinc/24/21/53/1121242153.db2.gz NTNYBEUIDOHUJR-LLVKDONJSA-N 0 0 277.314 3.830 20 10 CHCDRN CC(C)(C)Oc1ccccc1NC(=O)Cc1ccc(N)cc1 ZINC000236577348 1121358739 /nfs/dbraw/zinc/35/87/39/1121358739.db2.gz HHCWJSRYWXDXRN-UHFFFAOYSA-N 0 0 298.386 3.627 20 10 CHCDRN CC(C)Oc1ccc(N(C)C[C@@H]2CCO[C@H](C)C2)cc1 ZINC000763544339 1128982896 /nfs/dbraw/zinc/98/28/96/1128982896.db2.gz LOGZCWGLLZVMAY-HUUCEWRRSA-N 0 0 277.408 3.725 20 10 CHCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001137838538 1121417306 /nfs/dbraw/zinc/41/73/06/1121417306.db2.gz CLHWRBXNUYQWMZ-CYBMUJFWSA-N 0 0 289.325 3.660 20 10 CHCDRN Cc1ccc([C@H]2CCC[N@@H+]2Cc2c([O-])cccc2F)cn1 ZINC001137840058 1121443385 /nfs/dbraw/zinc/44/33/85/1121443385.db2.gz QGSNTCYFXCNWIS-MRXNPFEDSA-N 0 0 286.350 3.572 20 10 CHCDRN CCCN(Cc1nc(C(C)C)c[nH]1)Cc1ccccc1O ZINC000893983682 1121451356 /nfs/dbraw/zinc/45/13/56/1121451356.db2.gz FLWYXVLZRRDSLU-UHFFFAOYSA-N 0 0 287.407 3.651 20 10 CHCDRN CC(C)c1cccc(N(CCO)c2ccc(N)cc2)c1 ZINC001175776409 1121463412 /nfs/dbraw/zinc/46/34/12/1121463412.db2.gz PKKPCTUXRBAHOF-UHFFFAOYSA-N 0 0 270.376 3.523 20 10 CHCDRN CC(C)(C)[C@@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000708466481 1121464234 /nfs/dbraw/zinc/46/42/34/1121464234.db2.gz IRCBGHOBMZYXMC-GFCCVEGCSA-N 0 0 275.396 3.559 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCCCC1(F)F ZINC000708501054 1121468844 /nfs/dbraw/zinc/46/88/44/1121468844.db2.gz AOUNJGXTYQZXEJ-JTQLQIEISA-N 0 0 291.288 3.586 20 10 CHCDRN CCOc1cccc(NCc2cc(C)cc(OC)c2O)c1 ZINC000894100955 1121495852 /nfs/dbraw/zinc/49/58/52/1121495852.db2.gz IAGBSTAPRJSIHT-UHFFFAOYSA-N 0 0 287.359 3.720 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1CC(F)(F)C1 ZINC000697455788 1121504844 /nfs/dbraw/zinc/50/48/44/1121504844.db2.gz BKKVWFNHCIDIFE-UHFFFAOYSA-N 0 0 282.117 3.586 20 10 CHCDRN O=C(CSc1nccs1)Nc1ccc(Cl)cc1 ZINC000047239126 1121603587 /nfs/dbraw/zinc/60/35/87/1121603587.db2.gz WHBXYSMHIRVSQG-UHFFFAOYSA-N 0 0 284.793 3.527 20 10 CHCDRN C[C@@H](NC(=O)N(C)CC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773615553 1121715046 /nfs/dbraw/zinc/71/50/46/1121715046.db2.gz DXYIUKSSNZSPCU-CYBMUJFWSA-N 0 0 291.439 3.501 20 10 CHCDRN CCCCN(CC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773617692 1121717856 /nfs/dbraw/zinc/71/78/56/1121717856.db2.gz NQKNDPNAAYAZHO-CQSZACIVSA-N 0 0 291.439 3.645 20 10 CHCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC2CCCCC2)c1 ZINC000728980910 1121734133 /nfs/dbraw/zinc/73/41/33/1121734133.db2.gz PSLAFAXISPJLFZ-GFCCVEGCSA-N 0 0 291.391 3.548 20 10 CHCDRN CC[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000727733451 1121737826 /nfs/dbraw/zinc/73/78/26/1121737826.db2.gz INYGXHPQWYJKGQ-HNNXBMFYSA-N 0 0 297.402 3.504 20 10 CHCDRN Cc1cc(F)cc(NCc2ccc(N(C)C)c(F)c2)c1 ZINC001178046030 1121763297 /nfs/dbraw/zinc/76/32/97/1121763297.db2.gz FIPFOYNEZHQDOX-UHFFFAOYSA-N 0 0 276.330 3.951 20 10 CHCDRN Cc1ccc2c(c1)CCCN2C(=O)/C=C\c1cncc(F)c1 ZINC000729306837 1121773849 /nfs/dbraw/zinc/77/38/49/1121773849.db2.gz AZGHHPWVDUFCNE-ALCCZGGFSA-N 0 0 296.345 3.522 20 10 CHCDRN COc1cc(C)c(N(C)c2ccc(N)cc2)cc1C ZINC000260168526 1121774013 /nfs/dbraw/zinc/77/40/13/1121774013.db2.gz RRXYPTRISQCIFB-UHFFFAOYSA-N 0 0 256.349 3.662 20 10 CHCDRN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001141472467 1121805934 /nfs/dbraw/zinc/80/59/34/1121805934.db2.gz QKNSKGPPXBCECD-UHFFFAOYSA-N 0 0 296.330 3.516 20 10 CHCDRN C=Cc1ccc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC001178778179 1121820022 /nfs/dbraw/zinc/82/00/22/1121820022.db2.gz IPMYYNIEBAYNFJ-UHFFFAOYSA-N 0 0 289.325 3.646 20 10 CHCDRN O=C(OCc1c(F)cccc1Cl)C1=CC(=O)CS1 ZINC000731911131 1121894955 /nfs/dbraw/zinc/89/49/55/1121894955.db2.gz ZTNPDVITBHUGCU-UHFFFAOYSA-N 0 0 286.711 3.603 20 10 CHCDRN CCc1nc([C@@H](C)NCc2ccc(OC)c(C)c2)cs1 ZINC000732232266 1121914434 /nfs/dbraw/zinc/91/44/34/1121914434.db2.gz HQSTZQLMMYULNR-GFCCVEGCSA-N 0 0 290.432 3.873 20 10 CHCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1C1CCCCC1 ZINC000732273924 1121914679 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ZINC001187651960 1122438206 /nfs/dbraw/zinc/43/82/06/1122438206.db2.gz BWZJBHCOTTZCEO-GFCCVEGCSA-N 0 0 284.359 3.837 20 10 CHCDRN C[C@@H](CC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000827986837 1122489091 /nfs/dbraw/zinc/48/90/91/1122489091.db2.gz SQCPUQCHTQHJBC-KBPBESRZSA-N 0 0 283.371 3.763 20 10 CHCDRN COc1cc(Br)ccc1Nc1ccc(N)cc1 ZINC000712309444 1122518535 /nfs/dbraw/zinc/51/85/35/1122518535.db2.gz UOQUDMJHLQBVMY-UHFFFAOYSA-N 0 0 293.164 3.784 20 10 CHCDRN CCc1cccc(C)c1NC(=O)Nc1cccc(O)c1O ZINC001189980811 1122521808 /nfs/dbraw/zinc/52/18/08/1122521808.db2.gz UNGLHWDZHRYUAT-UHFFFAOYSA-N 0 0 286.331 3.613 20 10 CHCDRN COc1ccc(N(C)CC2CC(C)(C)C2)cc1OC ZINC001190674277 1122551059 /nfs/dbraw/zinc/55/10/59/1122551059.db2.gz SFGFPGNFGGCTTD-UHFFFAOYSA-N 0 0 263.381 3.576 20 10 CHCDRN CC/C(C)=C(/C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775409339 1122554288 /nfs/dbraw/zinc/55/42/88/1122554288.db2.gz FOAKILMBAPGWNO-WUFNSSIPSA-N 0 0 274.408 3.676 20 10 CHCDRN O=C(c1ccc(F)cc1)c1ccccc1Nc1cnoc1 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1122844654 /nfs/dbraw/zinc/84/46/54/1122844654.db2.gz CXZVWUBMWBORFI-UHFFFAOYSA-N 0 0 268.694 3.968 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCCCCC1 ZINC000775638917 1122845476 /nfs/dbraw/zinc/84/54/76/1122845476.db2.gz PLJKGGWCEROYEJ-UHFFFAOYSA-N 0 0 257.736 3.561 20 10 CHCDRN CCn1ncc2ccc(N[C@H](C)c3ccccc3O)cc21 ZINC000183686337 1129082440 /nfs/dbraw/zinc/08/24/40/1129082440.db2.gz HWMQVYDTWLCXAP-GFCCVEGCSA-N 0 0 281.359 3.935 20 10 CHCDRN Cc1ncoc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000894462519 1122857791 /nfs/dbraw/zinc/85/77/91/1122857791.db2.gz WIZYKMUUGZXOJP-UHFFFAOYSA-N 0 0 294.301 3.537 20 10 CHCDRN C[C@@H]1C[NH+](Cc2cc(Cl)cc(F)c2[O-])C[C@@H](C)S1 ZINC000775664602 1122877250 /nfs/dbraw/zinc/87/72/50/1122877250.db2.gz NIBXUWZOTOZCIG-RKDXNWHRSA-N 0 0 289.803 3.511 20 10 CHCDRN C[C@@H]1SCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@H]1C ZINC000775700991 1122911674 /nfs/dbraw/zinc/91/16/74/1122911674.db2.gz ABOJDZYLGHFVLE-IUCAKERBSA-N 0 0 289.803 3.511 20 10 CHCDRN Cc1cccc(CNc2cccc(-c3ncco3)c2)c1O ZINC000775757156 1122944530 /nfs/dbraw/zinc/94/45/30/1122944530.db2.gz CGDOMUDRADUAKM-UHFFFAOYSA-N 0 0 280.327 3.968 20 10 CHCDRN Cc1cc2nc(Sc3nccs3)c3ccccc3n2n1 ZINC000048894084 1122965015 /nfs/dbraw/zinc/96/50/15/1122965015.db2.gz FXTZQPRHUXODKD-UHFFFAOYSA-N 0 0 298.396 3.799 20 10 CHCDRN CC(C)C(=O)Nc1ccc(N(C)c2ccc(N)cc2)cc1 ZINC001199075358 1123020315 /nfs/dbraw/zinc/02/03/15/1123020315.db2.gz WTZKDRSDZHXNGM-UHFFFAOYSA-N 0 0 283.375 3.631 20 10 CHCDRN Oc1c(F)cc(F)cc1CNc1cccc2cnccc21 ZINC001199491082 1123031268 /nfs/dbraw/zinc/03/12/68/1123031268.db2.gz POJLMCXHTUXXRT-UHFFFAOYSA-N 0 0 286.281 3.831 20 10 CHCDRN COc1ccc(O)c(CNc2ccc(Cl)cc2OC)c1 ZINC000776003258 1123034829 /nfs/dbraw/zinc/03/48/29/1123034829.db2.gz WGJOORNMTQJNSA-UHFFFAOYSA-N 0 0 293.750 3.675 20 10 CHCDRN Cc1coc2ccc(NC(=O)NCc3ccccc3O)cc12 ZINC000776085369 1123054065 /nfs/dbraw/zinc/05/40/65/1123054065.db2.gz MWDULCNXIVDRDS-UHFFFAOYSA-N 0 0 296.326 3.769 20 10 CHCDRN Nc1ccc(NC(=O)N(Cc2cccs2)C2CC2)cc1 ZINC000049025044 1123057863 /nfs/dbraw/zinc/05/78/63/1123057863.db2.gz GIAWOHOIGDJOJJ-UHFFFAOYSA-N 0 0 287.388 3.527 20 10 CHCDRN Oc1c(F)cc(F)cc1CNc1ccc2ncccc2c1 ZINC001201151007 1123076007 /nfs/dbraw/zinc/07/60/07/1123076007.db2.gz RNHCZVSWTKUBIN-UHFFFAOYSA-N 0 0 286.281 3.831 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc(O)cc2O)cc1 ZINC001201497650 1123111226 /nfs/dbraw/zinc/11/12/26/1123111226.db2.gz INUICCSYHGMARU-UHFFFAOYSA-N 0 0 258.321 3.662 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc3c(c2)COC3=O)cc1 ZINC001201498165 1123111492 /nfs/dbraw/zinc/11/14/92/1123111492.db2.gz QNBPDXMYZRHDLO-UHFFFAOYSA-N 0 0 282.343 3.921 20 10 CHCDRN CNC(=O)c1cccc(Nc2ccc(NC(C)C)cc2)c1 ZINC001201498369 1123111730 /nfs/dbraw/zinc/11/17/30/1123111730.db2.gz WDIGLBREEQNRRG-UHFFFAOYSA-N 0 0 283.375 3.610 20 10 CHCDRN CC(C)Nc1ccc(Nc2cccc3c2CN(C)C3=O)cc1 ZINC001201504156 1123112605 /nfs/dbraw/zinc/11/26/05/1123112605.db2.gz CATOJKAKWNJFFY-UHFFFAOYSA-N 0 0 295.386 3.836 20 10 CHCDRN Cc1ccc(NC(=S)NCc2ccc(Cl)cn2)cc1 ZINC000776194837 1123117196 /nfs/dbraw/zinc/11/71/96/1123117196.db2.gz OYBUOZOGWHEYIH-UHFFFAOYSA-N 0 0 291.807 3.530 20 10 CHCDRN CCCC[C@H](CC)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001201568285 1123125636 /nfs/dbraw/zinc/12/56/36/1123125636.db2.gz QHGSNDCNOZANSS-AWEZNQCLSA-N 0 0 261.409 3.967 20 10 CHCDRN COc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])c(C)c1 ZINC000776253618 1123179791 /nfs/dbraw/zinc/17/97/91/1123179791.db2.gz UGBKVCDWVIEMFC-UHFFFAOYSA-N 0 0 291.778 3.652 20 10 CHCDRN Cc1ccncc1[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776254407 1123180389 /nfs/dbraw/zinc/18/03/89/1123180389.db2.gz FGVHIPBGZPGBKI-JTQLQIEISA-N 0 0 294.757 3.739 20 10 CHCDRN CCc1cnccc1[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776255802 1123187888 /nfs/dbraw/zinc/18/78/88/1123187888.db2.gz JAAAUAVPQACKTI-NSHDSACASA-N 0 0 290.794 3.854 20 10 CHCDRN Cc1cccc(NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001202320180 1123198789 /nfs/dbraw/zinc/19/87/89/1123198789.db2.gz YNEZEPFBPPYTRG-LBPRGKRZSA-N 0 0 270.332 3.583 20 10 CHCDRN CC1(CNC(=O)NCc2ccccc2O)CCCCCC1 ZINC000776329510 1123215635 /nfs/dbraw/zinc/21/56/35/1123215635.db2.gz DIHFYJIHSSEFEX-UHFFFAOYSA-N 0 0 290.407 3.552 20 10 CHCDRN C[C@H]1C[C@@H](CSc2ncc(Cl)s2)CCO1 ZINC000850000035 1123236365 /nfs/dbraw/zinc/23/63/65/1123236365.db2.gz HDZYNEOVLVCBNM-YUMQZZPRSA-N 0 0 263.815 3.704 20 10 CHCDRN CCc1nnc([C@@H](C)Sc2ncc(Cl)s2)o1 ZINC000849999086 1123236397 /nfs/dbraw/zinc/23/63/97/1123236397.db2.gz NFFOHFYAVULFAL-RXMQYKEDSA-N 0 0 275.786 3.595 20 10 CHCDRN F[C@H](CSc1ncc(Cl)s1)C(F)(F)F ZINC000850000451 1123236883 /nfs/dbraw/zinc/23/68/83/1123236883.db2.gz VRFWBCKCMVRODS-GSVOUGTGSA-N 0 0 265.684 3.789 20 10 CHCDRN Cc1c[nH]c(CNc2ccccc2OCCC(C)C)n1 ZINC000850338254 1123254239 /nfs/dbraw/zinc/25/42/39/1123254239.db2.gz HJPZDFVAZFTFRV-UHFFFAOYSA-N 0 0 273.380 3.755 20 10 CHCDRN Oc1ccccc1CNc1ccc(O[C@@H]2CC2(F)F)cc1 ZINC000850403602 1123263292 /nfs/dbraw/zinc/26/32/92/1123263292.db2.gz QSLYGODTDTWEBF-OAHLLOKOSA-N 0 0 291.297 3.791 20 10 CHCDRN CC[C@@H]([NH2+]CCC1CC(OC)C1)c1cccc(Cl)c1[O-] ZINC000850481038 1123273572 /nfs/dbraw/zinc/27/35/72/1123273572.db2.gz DOTVHPYWNHBFOF-KOHJWAIASA-N 0 0 297.826 3.901 20 10 CHCDRN C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1cc(F)cc(F)c1[O-] ZINC000850536173 1123287060 /nfs/dbraw/zinc/28/70/60/1123287060.db2.gz HVNAEPABKKGXRC-SDBXPKJASA-N 0 0 291.288 3.756 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1[O-])C1CC1 ZINC000850539180 1123287902 /nfs/dbraw/zinc/28/79/02/1123287902.db2.gz BKSZESUBUVBDHZ-AMIZOPFISA-N 0 0 255.308 3.510 20 10 CHCDRN COc1cccc([C@@H](C)NCC(F)(F)C(C)(C)C)c1O ZINC000850572696 1123295605 /nfs/dbraw/zinc/29/56/05/1123295605.db2.gz NYNWRZQDUFZKPX-SNVBAGLBSA-N 0 0 287.350 3.733 20 10 CHCDRN COc1cccc(CN2CC(C)(C)Oc3ccccc32)c1O ZINC000776526292 1123347470 /nfs/dbraw/zinc/34/74/70/1123347470.db2.gz OFZCCJBAWSJEPJ-UHFFFAOYSA-N 0 0 299.370 3.578 20 10 CHCDRN COc1ccc2c(c1)CCCN2Cc1cc(C2CC2)no1 ZINC000851721927 1123375625 /nfs/dbraw/zinc/37/56/25/1123375625.db2.gz HJNBSSQVWNMALY-UHFFFAOYSA-N 0 0 284.359 3.513 20 10 CHCDRN CCc1nocc1CN(CC1CC1)c1ccc(OC)cc1 ZINC000852134232 1123398596 /nfs/dbraw/zinc/39/85/96/1123398596.db2.gz BLSOOUBKYCIXAM-UHFFFAOYSA-N 0 0 286.375 3.662 20 10 CHCDRN CC[C@@H](CC(F)F)CN(C)c1ccc(OC)cc1 ZINC000852209871 1123400292 /nfs/dbraw/zinc/40/02/92/1123400292.db2.gz VIJLYVZNRNJWMI-NSHDSACASA-N 0 0 257.324 3.813 20 10 CHCDRN CC(C)c1cccc(/C=C2\SC(=S)N(C)C2=O)c1 ZINC000853000094 1123417598 /nfs/dbraw/zinc/41/75/98/1123417598.db2.gz COZNEVFITKHPKX-WQLSENKSSA-N 0 0 277.414 3.641 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000759218915 1123452898 /nfs/dbraw/zinc/45/28/98/1123452898.db2.gz VKDKJFXQVHLWSA-UKRRQHHQSA-N 0 0 288.435 3.504 20 10 CHCDRN C[C@@H]([NH2+]CCOC1CCCCC1)c1ccc(F)cc1[O-] ZINC000111636458 1123457505 /nfs/dbraw/zinc/45/75/05/1123457505.db2.gz DLGGLEWWEDXMPE-GFCCVEGCSA-N 0 0 281.371 3.531 20 10 CHCDRN Nc1ccc(Cc2noc(C3CCC4(CC4)CC3)n2)cc1 ZINC000854133494 1123470468 /nfs/dbraw/zinc/47/04/68/1123470468.db2.gz CTQBFKSJEPECGO-UHFFFAOYSA-N 0 0 283.375 3.680 20 10 CHCDRN FC(F)[C@@H]1CCN1Cc1ccc(N2CCCCC2)cc1 ZINC000895436714 1123479484 /nfs/dbraw/zinc/47/94/84/1123479484.db2.gz POOXHTOWKPNPOR-HNNXBMFYSA-N 0 0 280.362 3.516 20 10 CHCDRN CN(C)c1ccc(CNC(=O)c2ccc(C3CC3)cc2)cc1 ZINC000854271802 1123480182 /nfs/dbraw/zinc/48/01/82/1123480182.db2.gz QWQJNZLGMJASQD-UHFFFAOYSA-N 0 0 294.398 3.560 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC1(C)C ZINC000854373137 1123483575 /nfs/dbraw/zinc/48/35/75/1123483575.db2.gz BOVRTNHFIBSAIR-HNNXBMFYSA-N 0 0 289.419 3.957 20 10 CHCDRN CC(C)C[C@@H](C)n1nccc1NC(=O)C1=CC(=O)CS1 ZINC000854510430 1123487465 /nfs/dbraw/zinc/48/74/65/1123487465.db2.gz JJGBVCGTFGSJSK-SNVBAGLBSA-N 0 0 293.392 3.510 20 10 CHCDRN Cc1ncsc1/C=C/C(=O)N1CCCc2cccc(C)c21 ZINC000776749970 1123489751 /nfs/dbraw/zinc/48/97/51/1123489751.db2.gz IBHKYFCRNRYDEB-CMDGGOBGSA-N 0 0 298.411 3.753 20 10 CHCDRN CCCN(CCC)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000895584116 1123494323 /nfs/dbraw/zinc/49/43/23/1123494323.db2.gz POQPBOURIKIWJL-UHFFFAOYSA-N 0 0 293.388 3.575 20 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[O-]c1c(Cl)cccc1C[NH+]1CC(Cc2cccs2)C1 ZINC000862538134 1123816405 /nfs/dbraw/zinc/81/64/05/1123816405.db2.gz NHIUONFPVSPQHL-UHFFFAOYSA-N 0 0 293.819 3.782 20 10 CHCDRN C/C=C/C[C@H]1CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000862550494 1123818961 /nfs/dbraw/zinc/81/89/61/1123818961.db2.gz MEJJDQYZMZVETL-XGACYXMMSA-N 0 0 275.392 3.579 20 10 CHCDRN CC[C@@H](CC(=O)NCc1cc(C)ccc1O)c1ccccc1 ZINC000862759563 1123827336 /nfs/dbraw/zinc/82/73/36/1123827336.db2.gz GMQSKVWGJOYPAX-HNNXBMFYSA-N 0 0 297.398 3.901 20 10 CHCDRN CC[C@@H](Cc1ccccc1)C(=O)NCc1cc(C)ccc1O ZINC000862760271 1123828085 /nfs/dbraw/zinc/82/80/85/1123828085.db2.gz OXKCAERLZMZCTK-INIZCTEOSA-N 0 0 297.398 3.586 20 10 CHCDRN CCN(CC)c1ccc(CNc2ncccc2C)cc1 ZINC000083515128 1129149750 /nfs/dbraw/zinc/14/97/50/1129149750.db2.gz AMJRYBIGPXLQHZ-UHFFFAOYSA-N 0 0 269.392 3.848 20 10 CHCDRN CN(C)c1ccc(CSc2ncc(Cl)s2)cn1 ZINC000863347709 1123862681 /nfs/dbraw/zinc/86/26/81/1123862681.db2.gz GDGLFGUZZOUONL-UHFFFAOYSA-N 0 0 285.825 3.550 20 10 CHCDRN CC(C)CCc1nc(CN(C)c2ccc(N)cc2)cs1 ZINC000863558471 1123875559 /nfs/dbraw/zinc/87/55/59/1123875559.db2.gz JZNCNASZFZEBCQ-UHFFFAOYSA-N 0 0 289.448 3.950 20 10 CHCDRN O=[N+]([O-])c1ccccc1NCc1c(O)ccc2c1CCCC2 ZINC000301428006 1123899490 /nfs/dbraw/zinc/89/94/90/1123899490.db2.gz FBSTZNMHAJMJGY-UHFFFAOYSA-N 0 0 298.342 3.791 20 10 CHCDRN Cc1cccc2ncnc(Sc3nccs3)c12 ZINC000301442512 1123900593 /nfs/dbraw/zinc/90/05/93/1123900593.db2.gz NPZAOWRALSAXDP-UHFFFAOYSA-N 0 0 259.359 3.546 20 10 CHCDRN CCN(Cc1cccc2c1CCOC2)c1ccc(OC)cc1 ZINC000864001830 1123908591 /nfs/dbraw/zinc/90/85/91/1123908591.db2.gz MSCXRBUBQRSYPB-UHFFFAOYSA-N 0 0 297.398 3.794 20 10 CHCDRN Cc1nc2c(cccc2NCc2cc(C)ccc2O)o1 ZINC000864014533 1123909298 /nfs/dbraw/zinc/90/92/98/1123909298.db2.gz PVXRDROXBKCNIF-UHFFFAOYSA-N 0 0 268.316 3.762 20 10 CHCDRN CN(C)c1cc(F)cc(NCc2cccc(Cl)c2O)c1 ZINC000864016682 1123910070 /nfs/dbraw/zinc/91/00/70/1123910070.db2.gz IZFDPXYJJIXGJE-UHFFFAOYSA-N 0 0 294.757 3.863 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNc1ncc(Cl)cc1F ZINC000301540380 1123910248 /nfs/dbraw/zinc/91/02/48/1123910248.db2.gz NEGBXXPIQJVALT-UHFFFAOYSA-N 0 0 293.773 3.861 20 10 CHCDRN COc1ccc(C)cc1NCc1c(OC)cccc1OC ZINC000864022023 1123910831 /nfs/dbraw/zinc/91/08/31/1123910831.db2.gz DIHOJXABRCHJTL-UHFFFAOYSA-N 0 0 287.359 3.633 20 10 CHCDRN CCN(Cc1c(O)ccc2ccncc21)[C@H](C)C(F)(F)F ZINC000794678193 1123926783 /nfs/dbraw/zinc/92/67/83/1123926783.db2.gz MQWIFHDJJOCLLG-SNVBAGLBSA-N 0 0 298.308 3.713 20 10 CHCDRN CCCN(Cc1ccccc1O)c1cc(Cl)nc(C)n1 ZINC000301778380 1123932510 /nfs/dbraw/zinc/93/25/10/1123932510.db2.gz RSSRJGUOUYYJEY-UHFFFAOYSA-N 0 0 291.782 3.561 20 10 CHCDRN CCc1cc(NCc2c(O)ccc3c2CCCC3)nc(C)n1 ZINC000302102898 1123954873 /nfs/dbraw/zinc/95/48/73/1123954873.db2.gz QOGQRIKJNIVKTB-UHFFFAOYSA-N 0 0 297.402 3.544 20 10 CHCDRN C[C@@H]([NH2+]CCC1(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000794830109 1123962619 /nfs/dbraw/zinc/96/26/19/1123962619.db2.gz YWKSURYFAINJPH-SECBINFHSA-N 0 0 255.308 3.511 20 10 CHCDRN C[C@H](Nc1nc(C2CC2)ns1)c1ccc(N(C)C)cc1 ZINC000302465116 1123969300 /nfs/dbraw/zinc/96/93/00/1123969300.db2.gz VTNUWGAFVHNENP-JTQLQIEISA-N 0 0 288.420 3.655 20 10 CHCDRN C[C@H]([NH2+]CCCc1ccccc1F)c1ccc(F)cc1[O-] ZINC000794838739 1123988353 /nfs/dbraw/zinc/98/83/53/1123988353.db2.gz ABVBYJOZBGLLFJ-LBPRGKRZSA-N 0 0 291.341 3.954 20 10 CHCDRN COc1cccc(CNc2ccc3ncsc3c2)c1O ZINC000120680563 1124005115 /nfs/dbraw/zinc/00/51/15/1124005115.db2.gz MGHJMMLODYTWFM-UHFFFAOYSA-N 0 0 286.356 3.623 20 10 CHCDRN COc1ccc(C2CC2)c(NCc2ccccc2O)c1 ZINC000865857097 1124022563 /nfs/dbraw/zinc/02/25/63/1124022563.db2.gz WUHHNPHGXGNYRR-UHFFFAOYSA-N 0 0 269.344 3.890 20 10 CHCDRN CCCCOc1ccccc1NC[C@H](O)CC(F)(F)F ZINC000819420661 1131248819 /nfs/dbraw/zinc/24/88/19/1131248819.db2.gz TVDFXLMWTWHJIK-LLVKDONJSA-N 0 0 291.313 3.591 20 10 CHCDRN C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000868497254 1124472967 /nfs/dbraw/zinc/47/29/67/1124472967.db2.gz UXWNMTLPUPEAJQ-KBPBESRZSA-N 0 0 298.386 3.556 20 10 CHCDRN C[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)c1ccccc1 ZINC000868497255 1124473296 /nfs/dbraw/zinc/47/32/96/1124473296.db2.gz UXWNMTLPUPEAJQ-KGLIPLIRSA-N 0 0 298.386 3.556 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000795066294 1124504869 /nfs/dbraw/zinc/50/48/69/1124504869.db2.gz IQQRCAWKNCVEBY-GFCCVEGCSA-N 0 0 297.345 3.566 20 10 CHCDRN Cc1ccc(C(C)(C)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871202461 1124602706 /nfs/dbraw/zinc/60/27/06/1124602706.db2.gz HYSSSCYNADEPJV-UHFFFAOYSA-N 0 0 295.382 3.521 20 10 CHCDRN CC(C)CC1(C(=O)N2Cc3cccc(O)c3C2)CCCC1 ZINC000871202770 1124602963 /nfs/dbraw/zinc/60/29/63/1124602963.db2.gz FOGBYZRTNJOZQD-UHFFFAOYSA-N 0 0 287.403 3.841 20 10 CHCDRN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1cc(F)cc(F)c1[O-] ZINC001120261128 1131273760 /nfs/dbraw/zinc/27/37/60/1131273760.db2.gz ZKIKNKAAQZALRZ-QGFIPJAISA-N 0 0 299.386 3.748 20 10 CHCDRN CCc1ccsc1C(=O)N[C@@H](C)c1ccccc1O ZINC000827978247 1131277066 /nfs/dbraw/zinc/27/70/66/1131277066.db2.gz MGUBYWDJZCABAK-JTQLQIEISA-N 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Cc1cc2c(ncnc2NCc2ccc(N(C)C)cc2)s1 ZINC000090068165 1129265773 /nfs/dbraw/zinc/26/57/73/1129265773.db2.gz SUTDBRYJAUIKGC-UHFFFAOYSA-N 0 0 298.415 3.678 20 10 CHCDRN CC(C)c1cc(NCCCSc2nccs2)ncn1 ZINC000733994204 1129289807 /nfs/dbraw/zinc/28/98/07/1129289807.db2.gz MUMWWGVICPFTLY-UHFFFAOYSA-N 0 0 294.449 3.651 20 10 CHCDRN CC[C@@H](CC(=O)NCc1ccc(N(C)C)cc1C)C(C)C ZINC000734407170 1129308255 /nfs/dbraw/zinc/30/82/55/1129308255.db2.gz FBONHUXRFYBWLN-HNNXBMFYSA-N 0 0 290.451 3.750 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNc1ncnc2ccsc21 ZINC000734481714 1129309508 /nfs/dbraw/zinc/30/95/08/1129309508.db2.gz CIJJDJAKICPVBN-UHFFFAOYSA-N 0 0 298.415 3.678 20 10 CHCDRN O=C(N[C@@H](c1ccccc1)C1CCC1)C1=CC(=O)CS1 ZINC000735522995 1129348434 /nfs/dbraw/zinc/34/84/34/1129348434.db2.gz RBPAAULNOJJELK-HNNXBMFYSA-N 0 0 287.384 3.725 20 10 CHCDRN CCN(CC)c1ccc(CNc2cccnc2C)cc1 ZINC000091495350 1129362316 /nfs/dbraw/zinc/36/23/16/1129362316.db2.gz LPXYTCXXKWQKKL-UHFFFAOYSA-N 0 0 269.392 3.848 20 10 CHCDRN CCOc1cccc(C[N@@H+]2CCC[C@@H]2C2CCC2)c1O ZINC000092780976 1129407398 /nfs/dbraw/zinc/40/73/98/1129407398.db2.gz BXOMGDPRVFVJSN-OAHLLOKOSA-N 0 0 275.392 3.555 20 10 CHCDRN C/C(=C\C(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)(C)C ZINC000742495415 1129482354 /nfs/dbraw/zinc/48/23/54/1129482354.db2.gz OXOTVNKDKSRZNE-WYMLVPIESA-N 0 0 288.435 3.703 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H](CCO)CC(C)C)c1ccc(F)cc1[O-] ZINC000796781285 1129490247 /nfs/dbraw/zinc/49/02/47/1129490247.db2.gz LRLWMMCBJNPVFT-CZUORRHYSA-N 0 0 297.414 3.617 20 10 CHCDRN CCSc1ccccc1C(=O)N1C[C@@H](C)S[C@@H](C)C1 ZINC000742767664 1129498686 /nfs/dbraw/zinc/49/86/86/1129498686.db2.gz OZMREVSMFYSPJX-TXEJJXNPSA-N 0 0 295.473 3.765 20 10 CHCDRN CC(C)[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(F)cc1 ZINC000743583594 1129530541 /nfs/dbraw/zinc/53/05/41/1129530541.db2.gz TWLOFYJZXBWZBG-AWEZNQCLSA-N 0 0 293.363 3.720 20 10 CHCDRN CCOc1ccc(N(CC)Cc2c(C)noc2C)cc1 ZINC000746158807 1129627661 /nfs/dbraw/zinc/62/76/61/1129627661.db2.gz GUZSQIVDEDYRKY-UHFFFAOYSA-N 0 0 274.364 3.717 20 10 CHCDRN CCN(CC)c1ccc(C[N@H+](C)Cc2cnccc2C)cc1 ZINC000746297366 1129630399 /nfs/dbraw/zinc/63/03/99/1129630399.db2.gz VSVLCZZWTHNQRQ-UHFFFAOYSA-N 0 0 297.446 3.868 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](CC)C1CC1 ZINC000822572073 1131388969 /nfs/dbraw/zinc/38/89/69/1131388969.db2.gz ITGIAOMTDYUJGP-HNNXBMFYSA-N 0 0 290.407 3.502 20 10 CHCDRN CC/C(C)=C/C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000822596221 1131391220 /nfs/dbraw/zinc/39/12/20/1131391220.db2.gz PSKGMNFCZHJBMI-WYMLVPIESA-N 0 0 274.408 3.505 20 10 CHCDRN CO[C@@H](C)CNc1ccc(-n2c(C)ccc2C)cc1 ZINC001169775490 1129754470 /nfs/dbraw/zinc/75/44/70/1129754470.db2.gz IECDZWDONJGRAF-AWEZNQCLSA-N 0 0 258.365 3.541 20 10 CHCDRN Oc1ccccc1CNCC(F)(F)c1ccc(Cl)cc1 ZINC000796503496 1129764437 /nfs/dbraw/zinc/76/44/37/1129764437.db2.gz ZSPGFKIHWFNULB-UHFFFAOYSA-N 0 0 297.732 3.927 20 10 CHCDRN CC[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1ccc(F)cc1[O-] ZINC000796790594 1129777157 /nfs/dbraw/zinc/77/71/57/1129777157.db2.gz 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/nfs/dbraw/zinc/85/60/90/1129856090.db2.gz KWRLTDICQHOHNK-CQSZACIVSA-N 0 0 292.766 3.679 20 10 CHCDRN CCCC[C@@H](C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000800467512 1129874959 /nfs/dbraw/zinc/87/49/59/1129874959.db2.gz RKLQWCFQKMJOMI-OAHLLOKOSA-N 0 0 290.451 3.927 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1cc(F)cc(F)c1[O-] ZINC000769417860 1129907408 /nfs/dbraw/zinc/90/74/08/1129907408.db2.gz PHNXDCKVCWKKLA-VHSXEESVSA-N 0 0 269.335 3.900 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)CCCSC ZINC000801548448 1129926035 /nfs/dbraw/zinc/92/60/35/1129926035.db2.gz GKLWYJOAGMOSGO-UHFFFAOYSA-N 0 0 295.448 3.664 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]1C(C)C ZINC000801547904 1129926076 /nfs/dbraw/zinc/92/60/76/1129926076.db2.gz DVJZDCUNZVFAFA-CVEARBPZSA-N 0 0 289.419 3.813 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C/c1ccco1 ZINC000801545838 1129926426 /nfs/dbraw/zinc/92/64/26/1129926426.db2.gz SBYMVVOBINENHJ-ZHACJKMWSA-N 0 0 299.370 3.827 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H](CC)SC ZINC000801550217 1129926994 /nfs/dbraw/zinc/92/69/94/1129926994.db2.gz RUFJPEKFQMSBDL-OAHLLOKOSA-N 0 0 295.448 3.663 20 10 CHCDRN COc1ccc(N(C)CCSC(C)(C)C)c(OC)c1 ZINC000801936471 1129961470 /nfs/dbraw/zinc/96/14/70/1129961470.db2.gz QAZCZYKCYSQYKE-UHFFFAOYSA-N 0 0 283.437 3.672 20 10 CHCDRN c1ccn(-c2ccc(-c3nc(-c4ccco4)no3)cc2)c1 ZINC000771191637 1129973833 /nfs/dbraw/zinc/97/38/33/1129973833.db2.gz QWJFRXFCRWWUKX-UHFFFAOYSA-N 0 0 277.283 3.787 20 10 CHCDRN COc1cccc(O)c1CNc1ccc(C2CC2)cc1 ZINC000771871045 1129991806 /nfs/dbraw/zinc/99/18/06/1129991806.db2.gz AGKGAMGHJBJZPS-UHFFFAOYSA-N 0 0 269.344 3.890 20 10 CHCDRN Cc1cncc(/C=C/C(=O)N2CCCc3cccc(C)c32)c1 ZINC000772030740 1130002958 /nfs/dbraw/zinc/00/29/58/1130002958.db2.gz CODWFZKOJYOUAJ-CMDGGOBGSA-N 0 0 292.382 3.691 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCC1(C)C ZINC000772063637 1130003906 /nfs/dbraw/zinc/00/39/06/1130003906.db2.gz HOGTVOLBEDIVFZ-INIZCTEOSA-N 0 0 288.435 3.504 20 10 CHCDRN C[C@H](Nc1ncnc2c1CCCC2)c1ccc(N(C)C)cc1 ZINC000772296273 1130016316 /nfs/dbraw/zinc/01/63/16/1130016316.db2.gz JYXACVYWNAENCI-ZDUSSCGKSA-N 0 0 296.418 3.595 20 10 CHCDRN Cc1cc(N[C@H](C)c2ccc(N(C)C)cc2)nc(C2CC2)n1 ZINC000772301390 1130017714 /nfs/dbraw/zinc/01/77/14/1130017714.db2.gz UAQISOBBGBIUBE-CYBMUJFWSA-N 0 0 296.418 3.902 20 10 CHCDRN CC(=O)c1ccc(-c2ccc(C3=S=CC=C3)nc2)cc1 ZINC001239633146 1130025364 /nfs/dbraw/zinc/02/53/64/1130025364.db2.gz OPQBAJYIVDMENC-UHFFFAOYSA-N 0 0 279.364 3.577 20 10 CHCDRN C[C@@H]1CC(CC[NH2+]Cc2cccc(Cl)c2[O-])C[C@@H](C)O1 ZINC000802659845 1130029156 /nfs/dbraw/zinc/02/91/56/1130029156.db2.gz OBJBITPAMVNANO-VXGBXAGGSA-N 0 0 297.826 3.729 20 10 CHCDRN CCOc1ccc(N(CC)C[C@@H]2CCO[C@H](C)C2)cc1 ZINC000785743471 1130051957 /nfs/dbraw/zinc/05/19/57/1130051957.db2.gz LNIGEQVXPUGXPA-HUUCEWRRSA-N 0 0 277.408 3.727 20 10 CHCDRN Cc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000803120972 1130101062 /nfs/dbraw/zinc/10/10/62/1130101062.db2.gz LWRJFRUGZYOSKG-LBPRGKRZSA-N 0 0 288.416 3.614 20 10 CHCDRN CC(C)[C@H](N[C@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC000786980484 1130124873 /nfs/dbraw/zinc/12/48/73/1130124873.db2.gz BJQRYXYREGKVOX-RISCZKNCSA-N 0 0 288.357 3.990 20 10 CHCDRN CC(C)Oc1ccc(N(C)C[C@H]2CCSC2)cc1 ZINC000787289035 1130142584 /nfs/dbraw/zinc/14/25/84/1130142584.db2.gz IBXUZVKJHSBUTM-CYBMUJFWSA-N 0 0 265.422 3.663 20 10 CHCDRN COc1ccc(O)c(CNc2cc(C)cc(OC)c2C)c1 ZINC000787304757 1130145599 /nfs/dbraw/zinc/14/55/99/1130145599.db2.gz WYGQMVHOHYUUJO-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN COC(=O)c1cc2ccc(-c3cc(C)cnc3C)cc2n1C ZINC001239902900 1130150428 /nfs/dbraw/zinc/15/04/28/1130150428.db2.gz TWKHHNPQMADKKD-UHFFFAOYSA-N 0 0 294.354 3.644 20 10 CHCDRN CCC1(CC)CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000787615909 1130155789 /nfs/dbraw/zinc/15/57/89/1130155789.db2.gz QQMYQYJZLCXSOG-UHFFFAOYSA-N 0 0 291.391 3.530 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCOC12CCCC2)c1ccc(F)cc1[O-] ZINC000903389915 1130169748 /nfs/dbraw/zinc/16/97/48/1130169748.db2.gz RQCORODUZNGCEQ-HOCLYGCPSA-N 0 0 293.382 3.674 20 10 CHCDRN COC1CC(Sc2ncc(C(C)(C)C)s2)C1 ZINC000788105466 1130172269 /nfs/dbraw/zinc/17/22/69/1130172269.db2.gz OZKXMWAYQQIRRJ-UHFFFAOYSA-N 0 0 257.424 3.710 20 10 CHCDRN COc1cccc(OC)c1Sc1ncc(Cl)s1 ZINC000788077423 1130172824 /nfs/dbraw/zinc/17/28/24/1130172824.db2.gz JPQIVRQACRSCKV-UHFFFAOYSA-N 0 0 287.793 3.965 20 10 CHCDRN C[C@H]([NH2+][C@H](c1ccncc1)C1CC1)c1c([O-])cccc1F ZINC000903429667 1130176309 /nfs/dbraw/zinc/17/63/09/1130176309.db2.gz RMBCTKGNGIMLTH-GTNSWQLSSA-N 0 0 286.350 3.728 20 10 CHCDRN COC(=O)c1cc(NCc2cccc(C)c2O)c(C)cc1C ZINC000788268843 1130180562 /nfs/dbraw/zinc/18/05/62/1130180562.db2.gz KMLYQJRKXXVUIO-UHFFFAOYSA-N 0 0 299.370 3.716 20 10 CHCDRN CSC1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CCC1 ZINC000788524853 1130192152 /nfs/dbraw/zinc/19/21/52/1130192152.db2.gz WWBWQAOWXDDXRO-UHFFFAOYSA-N 0 0 289.803 3.560 20 10 CHCDRN CC1(C)Nc2ccccc2[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000903948209 1130211922 /nfs/dbraw/zinc/21/19/22/1130211922.db2.gz NKZUJFLVHMYXHC-MRXNPFEDSA-N 0 0 286.350 3.566 20 10 CHCDRN CCOC1CC(CC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1 ZINC000788984740 1130222361 /nfs/dbraw/zinc/22/23/61/1130222361.db2.gz MWZJEXAUWMSVRT-XSRFYTQQSA-N 0 0 299.361 3.526 20 10 CHCDRN C[C@H](NCC(F)(F)c1ccccc1)c1ccccc1O ZINC000788980973 1130225260 /nfs/dbraw/zinc/22/52/60/1130225260.db2.gz QFFFEEYNPREABB-LBPRGKRZSA-N 0 0 277.314 3.835 20 10 CHCDRN Cc1cc2c(cccc2-c2c(C)nn(C)c2C)n1C ZINC001240148094 1130225310 /nfs/dbraw/zinc/22/53/10/1130225310.db2.gz WTCZEVJVPQDHJK-UHFFFAOYSA-N 0 0 253.349 3.504 20 10 CHCDRN Oc1c(Cl)cccc1CN1CCOc2cc(F)ccc21 ZINC000789566916 1130260223 /nfs/dbraw/zinc/26/02/23/1130260223.db2.gz PRBIPQYATSBFEN-UHFFFAOYSA-N 0 0 293.725 3.584 20 10 CHCDRN COc1ccc2c(c1)CCN2Cc1cc2ccccc2[nH]1 ZINC000789720999 1130273927 /nfs/dbraw/zinc/27/39/27/1130273927.db2.gz GNLBJAIBDAPWPU-UHFFFAOYSA-N 0 0 278.355 3.739 20 10 CHCDRN C/C=C(\CC)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000789753159 1130276578 /nfs/dbraw/zinc/27/65/78/1130276578.db2.gz IHZCWYUMYCHPFJ-LHHJGKSTSA-N 0 0 292.398 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CC[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000759595942 1130664467 /nfs/dbraw/zinc/66/44/67/1130664467.db2.gz SGTUSJFBOLSAOL-CCCPALQASA-N 0 0 298.338 3.806 20 10 CHCDRN CCCOC(=O)[C@@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000759714435 1130671819 /nfs/dbraw/zinc/67/18/19/1130671819.db2.gz PSOKXOMSPWIVQL-SECBINFHSA-N 0 0 287.450 3.874 20 10 CHCDRN COC(=O)/C(C)=C\CSc1ncc(C(C)(C)C)s1 ZINC000759719269 1130671963 /nfs/dbraw/zinc/67/19/63/1130671963.db2.gz KBXAMVFDDGNAMF-TWGQIWQCSA-N 0 0 285.434 3.652 20 10 CHCDRN CCCOC(=O)[C@H](C)Sc1ncc(C(C)(C)C)s1 ZINC000759714436 1130672037 /nfs/dbraw/zinc/67/20/37/1130672037.db2.gz PSOKXOMSPWIVQL-VIFPVBQESA-N 0 0 287.450 3.874 20 10 CHCDRN COc1cc(NCc2ccc(N(C)C)c(F)c2)ccc1F ZINC000780568151 1130684807 /nfs/dbraw/zinc/68/48/07/1130684807.db2.gz XKDCGCMWADPZMD-UHFFFAOYSA-N 0 0 292.329 3.652 20 10 CHCDRN COc1cccc(O)c1CN1C[C@@H](C)c2ccccc21 ZINC000780768004 1130690915 /nfs/dbraw/zinc/69/09/15/1130690915.db2.gz DTTCTOJSFMXICJ-GFCCVEGCSA-N 0 0 269.344 3.525 20 10 CHCDRN CC(C)c1ncc(CN(C)c2ccc3c(c2)OCO3)s1 ZINC000780778312 1130691557 /nfs/dbraw/zinc/69/15/57/1130691557.db2.gz HIAMIWZNWYAAJP-UHFFFAOYSA-N 0 0 290.388 3.632 20 10 CHCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1/C=C/c1ccccc1 ZINC000780819913 1130693022 /nfs/dbraw/zinc/69/30/22/1130693022.db2.gz WTXORIIIUWXMBU-VFNNOXKTSA-N 0 0 299.395 3.772 20 10 CHCDRN Oc1c(CN2CC(F)(C3CC3)C2)cccc1-c1ccccc1 ZINC001234992252 1130700036 /nfs/dbraw/zinc/70/00/36/1130700036.db2.gz OEAGEDWHNIFLFW-UHFFFAOYSA-N 0 0 297.373 3.993 20 10 CHCDRN C[C@H](NC(=O)C1CCC(C2CC2)CC1)c1ccccc1O ZINC000827960938 1130724082 /nfs/dbraw/zinc/72/40/82/1130724082.db2.gz ZBVKHCMCJURVJJ-GRTSSRMGSA-N 0 0 287.403 3.786 20 10 CHCDRN Cc1nc2cc(NCc3ccccc3O)ccc2s1 ZINC000781531779 1130724145 /nfs/dbraw/zinc/72/41/45/1130724145.db2.gz JWJKGXLTUOBGJP-UHFFFAOYSA-N 0 0 270.357 3.922 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCC(C)(C)C1 ZINC000781641529 1130732386 /nfs/dbraw/zinc/73/23/86/1130732386.db2.gz IUHOTUSTRYUTJV-AWEZNQCLSA-N 0 0 288.435 3.504 20 10 CHCDRN CC[C@@H]1CC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781910493 1130747101 /nfs/dbraw/zinc/74/71/01/1130747101.db2.gz WTJKCDKBFBGZTJ-LLVKDONJSA-N 0 0 298.224 3.695 20 10 CHCDRN Cc1c(N[C@@H](C)c2ccccc2O)cnn1CC(C)C ZINC000783527618 1130834867 /nfs/dbraw/zinc/83/48/67/1130834867.db2.gz FVHPOAGVUXHJAR-LBPRGKRZSA-N 0 0 273.380 3.726 20 10 CHCDRN COc1ccc(N(C)[C@H](C)Cc2ccsc2)cc1F ZINC000783591361 1130840896 /nfs/dbraw/zinc/84/08/96/1130840896.db2.gz LUKRJGQIFWYUAC-LLVKDONJSA-N 0 0 279.380 3.963 20 10 CHCDRN Cc1scc(C(=O)N[C@@H](C)c2ccccc2O)c1C ZINC000827969022 1130857810 /nfs/dbraw/zinc/85/78/10/1130857810.db2.gz GBMMKPFNZJMGHU-JTQLQIEISA-N 0 0 275.373 3.562 20 10 CHCDRN Cc1ccncc1/C=C\C(=O)N1CCc2ccc(Cl)cc21 ZINC000783940828 1130864811 /nfs/dbraw/zinc/86/48/11/1130864811.db2.gz GAMBJAVVHMQNNT-HYXAFXHYSA-N 0 0 298.773 3.646 20 10 CHCDRN Cn1ccc2ccc(-c3cccnc3N3CCCC3)cc21 ZINC001236126014 1130871826 /nfs/dbraw/zinc/87/18/26/1130871826.db2.gz VJFDDDDTYUJXNK-UHFFFAOYSA-N 0 0 277.371 3.841 20 10 CHCDRN CC[C@H]([NH2+]C(C1CC1)C1CC1)c1ccc(F)cc1[O-] ZINC000796705157 1130924924 /nfs/dbraw/zinc/92/49/24/1130924924.db2.gz CNIRPYAWXZMRBF-AWEZNQCLSA-N 0 0 263.356 3.761 20 10 CHCDRN Cc1c(-c2nccc3c2ccn3C)cnn1-c1ccccc1 ZINC001236397953 1130927353 /nfs/dbraw/zinc/92/73/53/1130927353.db2.gz JGGVFRYTUWPZHV-UHFFFAOYSA-N 0 0 288.354 3.734 20 10 CHCDRN CC[C@H]([NH2+]CC(CC)(CC)CCO)c1ccc(F)cc1[O-] ZINC000796778148 1130930918 /nfs/dbraw/zinc/93/09/18/1130930918.db2.gz FVBSRPBPHFEACG-HNNXBMFYSA-N 0 0 297.414 3.761 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CC[C@@H](SC)C1)c1ccc(F)cc1[O-] ZINC000796774361 1130931043 /nfs/dbraw/zinc/93/10/43/1130931043.db2.gz DPTQSCINAJKZCA-BZPMIXESSA-N 0 0 283.412 3.856 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)CCSC)c1ccc(F)cc1[O-] ZINC000796770620 1130931375 /nfs/dbraw/zinc/93/13/75/1130931375.db2.gz DWMPDHNVEDXTAI-MFKMUULPSA-N 0 0 271.401 3.714 20 10 CHCDRN CC[C@@H]([NH2+]CC(C)(C)[C@H](O)C(C)C)c1ccc(F)cc1[O-] ZINC000796850382 1130938802 /nfs/dbraw/zinc/93/88/02/1130938802.db2.gz 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C[C@@H]1C[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C[C@H](C)S1 ZINC000816497567 1131102093 /nfs/dbraw/zinc/10/20/93/1131102093.db2.gz IKULQISLPANOMH-DTORHVGOSA-N 0 0 289.803 3.511 20 10 CHCDRN C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)C[C@H]1C ZINC000816513509 1131103695 /nfs/dbraw/zinc/10/36/95/1131103695.db2.gz STNSIQLVADVBLA-BETUJISGSA-N 0 0 255.361 3.633 20 10 CHCDRN COc1cccc(NCc2cc(Cl)c(F)cc2O)c1 ZINC000816522882 1131107105 /nfs/dbraw/zinc/10/71/05/1131107105.db2.gz SRNLTEMNXMYJML-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1ccccc1F ZINC000816528441 1131108524 /nfs/dbraw/zinc/10/85/24/1131108524.db2.gz CJYWOMFFISUXNM-UHFFFAOYSA-N 0 0 297.732 3.656 20 10 CHCDRN Oc1cc(F)c(Cl)cc1CNc1ccc2c(c1)CCO2 ZINC000816552058 1131109767 /nfs/dbraw/zinc/10/97/67/1131109767.db2.gz ZMTQOAOIBYEOGK-UHFFFAOYSA-N 0 0 293.725 3.732 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000816556193 1131110169 /nfs/dbraw/zinc/11/01/69/1131110169.db2.gz CANNSPSAKDKROZ-SECBINFHSA-N 0 0 293.716 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/nfs/dbraw/zinc/93/56/26/1132935626.db2.gz OLKSLIQJLIZSAB-UHFFFAOYSA-N 0 0 290.750 3.761 20 10 CHCDRN CSc1cnc(NCc2cc3ccccc3cc2O)nc1 ZINC001160206308 1132945588 /nfs/dbraw/zinc/94/55/88/1132945588.db2.gz GGFCQPOPEIGVQM-UHFFFAOYSA-N 0 0 297.383 3.669 20 10 CHCDRN CCc1nccc(NCc2cc3ccccc3cc2O)n1 ZINC001160206495 1132945613 /nfs/dbraw/zinc/94/56/13/1132945613.db2.gz JSSFVSIGIHTFPH-UHFFFAOYSA-N 0 0 279.343 3.510 20 10 CHCDRN Oc1cc2ccccc2cc1CNc1cncc(Cl)n1 ZINC001160205815 1132946147 /nfs/dbraw/zinc/94/61/47/1132946147.db2.gz GYANWPJUXLSAIR-UHFFFAOYSA-N 0 0 285.734 3.601 20 10 CHCDRN Cc1cc(C)c(CN[C@H](F)c2ccnc(Cl)c2)c(O)c1 ZINC001160810152 1132983079 /nfs/dbraw/zinc/98/30/79/1132983079.db2.gz KPVSIRVHMQYIIC-HNNXBMFYSA-N 0 0 294.757 3.815 20 10 CHCDRN Cc1cc(C)c(CNc2nc(C)cc3cccnc32)c(O)c1 ZINC001160811824 1132983180 /nfs/dbraw/zinc/98/31/80/1132983180.db2.gz YUHBNAKSBCMKFP-UHFFFAOYSA-N 0 0 293.370 3.873 20 10 CHCDRN Cc1cc(Br)cc(Sc2nccs2)n1 ZINC001162226914 1133062102 /nfs/dbraw/zinc/06/21/02/1133062102.db2.gz QTYRLKSAZMSCLX-UHFFFAOYSA-N 0 0 287.207 3.760 20 10 CHCDRN Cc1cccc(-c2ccc(NCc3ccc(N)cc3)nn2)c1 ZINC001162787876 1133112262 /nfs/dbraw/zinc/11/22/62/1133112262.db2.gz SXEVKHFPHXAEFK-UHFFFAOYSA-N 0 0 290.370 3.646 20 10 CHCDRN Cc1c[nH]c2nc(Cl)cc(NCc3ccc(N)cc3)c12 ZINC001162787929 1133112680 /nfs/dbraw/zinc/11/26/80/1133112680.db2.gz VAOJJUDOVDSPMX-UHFFFAOYSA-N 0 0 286.766 3.719 20 10 CHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2Nc1ccc(N)cn1 ZINC001163486276 1133152139 /nfs/dbraw/zinc/15/21/39/1133152139.db2.gz HQNBMYGLBUTZSG-QGZVFWFLSA-N 0 0 297.402 3.722 20 10 CHCDRN Cc1cc2c(ncnc2NCc2cc(C)ccc2O)s1 ZINC001163754165 1133171935 /nfs/dbraw/zinc/17/19/35/1133171935.db2.gz MKTIOEYTEMYIIF-UHFFFAOYSA-N 0 0 285.372 3.626 20 10 CHCDRN CN(C)c1ccc(CN(C)CC(F)F)c2ccccc21 ZINC001204240973 1133423691 /nfs/dbraw/zinc/42/36/91/1133423691.db2.gz NZHBNDNBWOJVBA-UHFFFAOYSA-N 0 0 278.346 3.603 20 10 CHCDRN CN(c1ccc(N)cc1)c1c2cc[nH]c2ccc1F ZINC001204305690 1133433384 /nfs/dbraw/zinc/43/33/84/1133433384.db2.gz LCDGMSFIPNFKMO-UHFFFAOYSA-N 0 0 255.296 3.657 20 10 CHCDRN CN(C)c1ccc2c(c1)OCCN2CCC1CCCCC1 ZINC001205269344 1133552351 /nfs/dbraw/zinc/55/23/51/1133552351.db2.gz GKQWQZPCSJPWQQ-UHFFFAOYSA-N 0 0 288.435 3.922 20 10 CHCDRN COc1ccc(N(C)Cc2cc(F)ncc2F)cc1Cl ZINC001205359776 1133569851 /nfs/dbraw/zinc/56/98/51/1133569851.db2.gz GIGPNMGFWHOCNA-UHFFFAOYSA-N 0 0 298.720 3.658 20 10 CHCDRN Cc1ncccc1Nc1ccccc1C(=O)c1ccncc1 ZINC001205430091 1133576789 /nfs/dbraw/zinc/57/67/89/1133576789.db2.gz WXQONZHSSCURMN-UHFFFAOYSA-N 0 0 289.338 3.760 20 10 CHCDRN COc1ccc(N(C)Cc2cccn2C(F)F)cc1 ZINC001206551989 1133716669 /nfs/dbraw/zinc/71/66/69/1133716669.db2.gz DRTWKFCSRWTNOR-UHFFFAOYSA-N 0 0 266.291 3.528 20 10 CHCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC001206552018 1133717127 /nfs/dbraw/zinc/71/71/27/1133717127.db2.gz FFJDFPMTLXTAHM-HNNXBMFYSA-N 0 0 281.346 3.825 20 10 CHCDRN Cc1cc(O)c(C[NH2+][C@@H]2CCCC23CC3)cc1Cl ZINC001207067656 1133764936 /nfs/dbraw/zinc/76/49/36/1133764936.db2.gz UAOVFKNNNLLNNH-CQSZACIVSA-N 0 0 265.784 3.776 20 10 CHCDRN c1cc(N2CCCC2)ccc1Nc1ccc2c(c1)OCCN2 ZINC001209728273 1134054709 /nfs/dbraw/zinc/05/47/09/1134054709.db2.gz PJGSHWHVAINWTN-UHFFFAOYSA-N 0 0 295.386 3.835 20 10 CHCDRN O=C(c1ccc(Nc2ccc3c(c2)OCCN3)cc1)C1CC1 ZINC001209791827 1134064198 /nfs/dbraw/zinc/06/41/98/1134064198.db2.gz GSFBAVXUAKHPON-UHFFFAOYSA-N 0 0 294.354 3.827 20 10 CHCDRN c1coc(-c2ccc(Nc3ccc4c(c3)OCCN4)cc2)n1 ZINC001209788899 1134064246 /nfs/dbraw/zinc/06/42/46/1134064246.db2.gz JUANHPZBWBZVOH-UHFFFAOYSA-N 0 0 293.326 3.890 20 10 CHCDRN CCC(=O)c1cccc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209788785 1134064691 /nfs/dbraw/zinc/06/46/91/1134064691.db2.gz HOSHNXXAYAJBCI-UHFFFAOYSA-N 0 0 282.343 3.827 20 10 CHCDRN Cc1cc(F)c(Nc2ccc3c(c2)OCCN3)cc1F ZINC001209788025 1134065020 /nfs/dbraw/zinc/06/50/20/1134065020.db2.gz BLKRQXZIWHHWPP-UHFFFAOYSA-N 0 0 276.286 3.821 20 10 CHCDRN CNc1ccc(Cl)cc1Nc1ccc2c(c1)OCCN2 ZINC001209789153 1134065124 /nfs/dbraw/zinc/06/51/24/1134065124.db2.gz VUGKLUOZUGONBS-UHFFFAOYSA-N 0 0 289.766 3.930 20 10 CHCDRN Cc1c(Cl)cc(N)cc1Nc1ccc2c(c1)OCCN2 ZINC001209789055 1134065291 /nfs/dbraw/zinc/06/52/91/1134065291.db2.gz VCEFZXPVFBFTCE-UHFFFAOYSA-N 0 0 289.766 3.779 20 10 CHCDRN COc1cc(C(F)(F)F)ccc1Nc1cccc(O)c1O ZINC001209883817 1134094394 /nfs/dbraw/zinc/09/43/94/1134094394.db2.gz BSBWWCZNSOGJQK-UHFFFAOYSA-N 0 0 299.248 3.869 20 10 CHCDRN Cc1ccc(Nc2cccc(O)c2O)cc1OC(C)C ZINC001214334476 1134530532 /nfs/dbraw/zinc/53/05/32/1134530532.db2.gz JYJFRVCOCZVHAC-UHFFFAOYSA-N 0 0 273.332 3.937 20 10 CHCDRN Cc1c(F)cncc1Nc1nc(-c2ccncc2)cs1 ZINC001216190757 1134803431 /nfs/dbraw/zinc/80/34/31/1134803431.db2.gz QDOPZGJXLWTGLO-UHFFFAOYSA-N 0 0 286.335 3.791 20 10 CHCDRN Oc1ccc(Cl)cc1Nc1ccncc1C(F)(F)F ZINC001216396423 1134881568 /nfs/dbraw/zinc/88/15/68/1134881568.db2.gz GVHKODQODGRPRM-UHFFFAOYSA-N 0 0 288.656 3.625 20 10 CHCDRN O=C1C=CC(=NNc2ccccc2)C(OC[C@H]2C[C@@H](O)C2)=C1 ZINC001218434143 1135104051 /nfs/dbraw/zinc/10/40/51/1135104051.db2.gz RPGJPTUSHZDTIU-UFWDAUBFSA-N 0 0 298.342 3.957 20 10 CHCDRN CCOC(=O)c1cnc(Sc2ccc(C)cc2)s1 ZINC000310839919 1135127161 /nfs/dbraw/zinc/12/71/61/1135127161.db2.gz MCPHYIGHFVAPNG-UHFFFAOYSA-N 0 0 279.386 3.779 20 10 CHCDRN CCOc1ccc(NCc2cccc(C)c2O)cc1 ZINC000083421947 178431097 /nfs/dbraw/zinc/43/10/97/178431097.db2.gz QMBHDGBDJFLCHA-UHFFFAOYSA-N 0 0 257.333 3.711 20 10 CHCDRN Cc1ccc(O)c(CNc2ccc(Cl)nc2C)c1 ZINC000083457681 178474873 /nfs/dbraw/zinc/47/48/73/178474873.db2.gz IUNQJSLVLMWDGG-UHFFFAOYSA-N 0 0 262.740 3.670 20 10 CHCDRN CC(=O)Nc1cccc(N[C@@H](C)c2ccccc2O)c1 ZINC000019917189 170925869 /nfs/dbraw/zinc/92/58/69/170925869.db2.gz OHCWLSOLEFHJRB-NSHDSACASA-N 0 0 270.332 3.524 20 10 CHCDRN CCc1cccc(NCc2cc(OC)ccc2O)c1 ZINC000020092145 170991489 /nfs/dbraw/zinc/99/14/89/170991489.db2.gz OHBRYIOLEDYPDC-UHFFFAOYSA-N 0 0 257.333 3.575 20 10 CHCDRN COc1ccc(C(=O)[C@H](C)Sc2nccs2)cc1 ZINC000040677261 174373877 /nfs/dbraw/zinc/37/38/77/174373877.db2.gz KHUOVOCZUZPMFS-VIFPVBQESA-N 0 0 279.386 3.515 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)CCC1CCC1 ZINC000175255002 261600859 /nfs/dbraw/zinc/60/08/59/261600859.db2.gz SMPWZKHHHNFLDZ-UHFFFAOYSA-N 0 0 275.392 3.711 20 10 CHCDRN COc1cc(F)c(N[C@@H](C)c2ccccc2O)cc1OC ZINC000183669578 261984149 /nfs/dbraw/zinc/98/41/49/261984149.db2.gz SMQBNTWKBPKXME-JTQLQIEISA-N 0 0 291.322 3.722 20 10 CHCDRN C[C@@H]([NH2+]Cc1cccnc1)c1cc2c(cc1O)CCCC2 ZINC000184837094 262030391 /nfs/dbraw/zinc/03/03/91/262030391.db2.gz ANGYZZSEKUAXEM-CYBMUJFWSA-N 0 0 282.387 3.517 20 10 CHCDRN COCc1ccc(C[NH2+][C@@H](C)c2ccc(C)cc2O)cc1 ZINC000184942186 262035172 /nfs/dbraw/zinc/03/51/72/262035172.db2.gz URJFWCZILDQHPJ-AWEZNQCLSA-N 0 0 285.387 3.698 20 10 CHCDRN COCC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185290765 262049312 /nfs/dbraw/zinc/04/93/12/262049312.db2.gz JZRSFVSDLXHNHY-IUCAKERBSA-N 0 0 292.206 3.775 20 10 CHCDRN CC[C@H](COC)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185504316 262057250 /nfs/dbraw/zinc/05/72/50/262057250.db2.gz DTPNILHMVXPALR-DTWKUNHWSA-N 0 0 292.206 3.775 20 10 CHCDRN C[C@@H](CCCO)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185689875 262066462 /nfs/dbraw/zinc/06/64/62/262066462.db2.gz DYDWSUPINLYWGR-IUCAKERBSA-N 0 0 292.206 3.511 20 10 CHCDRN Oc1ccccc1CNc1ccc(N2C[C@H]3CC[C@@H]2C3)cc1 ZINC000192217162 262200035 /nfs/dbraw/zinc/20/00/35/262200035.db2.gz ZZZXWPCACYWKPK-KBXCAEBGSA-N 0 0 294.398 3.993 20 10 CHCDRN CCCCCC(=O)N(CCC)Cc1ccccc1O ZINC000299568377 263247223 /nfs/dbraw/zinc/24/72/23/263247223.db2.gz AYOXRTOPIJWAAX-UHFFFAOYSA-N 0 0 263.381 3.711 20 10 CHCDRN CCCC[C@H](CCC)CNC(=O)Cc1ccc(N)cc1 ZINC000161954994 264302567 /nfs/dbraw/zinc/30/25/67/264302567.db2.gz VZRNHUGMTVZEBG-HNNXBMFYSA-N 0 0 276.424 3.534 20 10 CHCDRN CC(=O)c1ccc(NCc2c(C)c3ccccc3n2C)nc1 ZINC000359821524 266642814 /nfs/dbraw/zinc/64/28/14/266642814.db2.gz XDXINBWTHIMZKX-UHFFFAOYSA-N 0 0 293.370 3.696 20 10 CHCDRN Cc1nnc([C@@H](C)N[C@@H](C)c2cc(Cl)ccc2O)s1 ZINC000274273972 328210554 /nfs/dbraw/zinc/21/05/54/328210554.db2.gz XBSCIZOHKHYCDB-JGVFFNPUSA-N 0 0 297.811 3.617 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)C1CCOCC1)c1cccc(Cl)c1[O-] ZINC000287863355 328252092 /nfs/dbraw/zinc/25/20/92/328252092.db2.gz XNTOUOWKUYBKMQ-NHYWBVRUSA-N 0 0 297.826 3.901 20 10 CHCDRN CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000290049117 328257723 /nfs/dbraw/zinc/25/77/23/328257723.db2.gz DYGQLHZOOLZBRY-HRDYMLBCSA-N 0 0 292.206 3.773 20 10 CHCDRN C[C@@H](Nc1cccc2c1OCC2)c1ccc(F)cc1O ZINC000527955465 330294742 /nfs/dbraw/zinc/29/47/42/330294742.db2.gz GQMLQJHDGLLBRP-SNVBAGLBSA-N 0 0 273.307 3.639 20 10 CHCDRN Cc1ccc([C@H](C)Nc2cccc3c2OCC3)c(O)c1 ZINC000527957676 330294776 /nfs/dbraw/zinc/29/47/76/330294776.db2.gz PTEPRLRQUKRPGH-LBPRGKRZSA-N 0 0 269.344 3.809 20 10 CHCDRN Cc1ncccc1C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000527987252 330298915 /nfs/dbraw/zinc/29/89/15/330298915.db2.gz NKDQGZFBSMASBR-CQSZACIVSA-N 0 0 296.414 3.825 20 10 CHCDRN Cc1ccncc1/C=C\C(=O)N(C)c1ccc2cc[nH]c2c1 ZINC000491983629 332378175 /nfs/dbraw/zinc/37/81/75/332378175.db2.gz MOSKBZODBWVMPO-XQRVVYSFSA-N 0 0 291.354 3.548 20 10 CHCDRN CC[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-])OC ZINC000290091896 522551453 /nfs/dbraw/zinc/55/14/53/522551453.db2.gz HKYIOYTXZVSTBP-IUCAKERBSA-N 0 0 292.206 3.775 20 10 CHCDRN CC(C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(N)cc1 ZINC000236706651 519816752 /nfs/dbraw/zinc/81/67/52/519816752.db2.gz PYTBAYDKQOKSCY-KRWDZBQOSA-N 0 0 282.387 3.722 20 10 CHCDRN CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CCO1 ZINC000276969824 519827377 /nfs/dbraw/zinc/82/73/77/519827377.db2.gz UCOUOJVHRWYDKP-COPLHBTASA-N 0 0 299.361 3.525 20 10 CHCDRN CCC[C@H](C)C(=O)N(CCC)Cc1ccccc1O ZINC000265057754 520993628 /nfs/dbraw/zinc/99/36/28/520993628.db2.gz LDOLGNKYCFKZKD-ZDUSSCGKSA-N 0 0 263.381 3.567 20 10 CHCDRN CCOc1ccc(NCc2cccc(C)c2O)cc1OC ZINC000158053183 521125672 /nfs/dbraw/zinc/12/56/72/521125672.db2.gz XARXVIWFZYXPBR-UHFFFAOYSA-N 0 0 287.359 3.720 20 10 CHCDRN CCOc1ccc(N[C@@H](C)c2ccccc2O)cc1OC ZINC000037057742 521136154 /nfs/dbraw/zinc/13/61/54/521136154.db2.gz UKDBCIRSEMRURC-LBPRGKRZSA-N 0 0 287.359 3.973 20 10 CHCDRN CCC(C)(C)N(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000265419223 521294608 /nfs/dbraw/zinc/29/46/08/521294608.db2.gz PXSRDGMGUPOBKU-UHFFFAOYSA-N 0 0 299.418 3.750 20 10 CHCDRN CC[C@H]([NH2+]CC[C@@H](C)O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287592419 522596499 /nfs/dbraw/zinc/59/64/99/522596499.db2.gz IDXZTWCHRJXNSG-PELKAZGASA-N 0 0 292.206 3.511 20 10 CHCDRN CCc1nn(C)cc1N[C@H](CC)c1ccc(C)cc1O ZINC000280245702 522701368 /nfs/dbraw/zinc/70/13/68/522701368.db2.gz WIJSDAOCEOADTM-CYBMUJFWSA-N 0 0 273.380 3.560 20 10 CHCDRN COc1cc(NCc2ccccc2O)c(C)cc1C ZINC000280274029 522749222 /nfs/dbraw/zinc/74/92/22/522749222.db2.gz MWPNCSGGSHMYDG-UHFFFAOYSA-N 0 0 257.333 3.630 20 10 CHCDRN COCc1ccccc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062747693 523105199 /nfs/dbraw/zinc/10/51/99/523105199.db2.gz KDGDBCZOTITEFF-GFCCVEGCSA-N 0 0 289.350 3.529 20 10 CHCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H]1CCSC1 ZINC000130564287 523170531 /nfs/dbraw/zinc/17/05/31/523170531.db2.gz VFSMZJSILNFZPJ-SNVBAGLBSA-N 0 0 292.231 3.636 20 10 CHCDRN C[C@H](CCc1ccco1)[NH2+][C@@H](C)c1ccc(F)c(F)c1[O-] ZINC000276149357 524261887 /nfs/dbraw/zinc/26/18/87/524261887.db2.gz DRQAMVBYUXHYSZ-MNOVXSKESA-N 0 0 295.329 3.935 20 10 CHCDRN Cc1cc(C)c(NC(=O)CSc2nccs2)c(C)c1 ZINC000047238791 524291116 /nfs/dbraw/zinc/29/11/16/524291116.db2.gz DVVJFYFUHCAOMF-UHFFFAOYSA-N 0 0 292.429 3.799 20 10 CHCDRN C[C@@H]1C[N@H+](Cc2cccc(Cl)c2[O-])CCC1(F)F ZINC000291631127 525004650 /nfs/dbraw/zinc/00/46/50/525004650.db2.gz SIPKALIIXKTHMZ-SECBINFHSA-N 0 0 275.726 3.523 20 10 CHCDRN C[C@H]([NH2+]Cc1cccc(F)c1)c1ccc(F)cc1[O-] ZINC000062745490 525456324 /nfs/dbraw/zinc/45/63/24/525456324.db2.gz VQBABVCXCWGDSZ-JTQLQIEISA-N 0 0 263.287 3.521 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1ccc(F)c(F)c1[O-] ZINC000276149376 525595441 /nfs/dbraw/zinc/59/54/41/525595441.db2.gz DRQAMVBYUXHYSZ-WDEREUQCSA-N 0 0 295.329 3.935 20 10 CHCDRN COc1cccc(CNc2ccccc2N2CCCC2)c1O ZINC000121587215 526044207 /nfs/dbraw/zinc/04/42/07/526044207.db2.gz UAQVFPPLBQJJNR-UHFFFAOYSA-N 0 0 298.386 3.613 20 10 CHCDRN [O-]c1c(F)cccc1C[NH2+][C@H]1C[C@H](c2ccccc2F)C1 ZINC000280626119 526331000 /nfs/dbraw/zinc/33/10/00/526331000.db2.gz GJNCSKMWTSGXBA-JOCQHMNTSA-N 0 0 289.325 3.706 20 10 CHCDRN Oc1cccc2c1[C@H](Nc1ccc([C@H]3CCOC3)cc1)CC2 ZINC000297485277 526369020 /nfs/dbraw/zinc/36/90/20/526369020.db2.gz ZOSFUNWFIVRHIH-DOTOQJQBSA-N 0 0 295.382 3.996 20 10 CHCDRN O=C1/C(=C\c2cccs2)SC(=S)N1C1CCC1 ZINC000292373580 526948356 /nfs/dbraw/zinc/94/83/56/526948356.db2.gz SQVIEOYVUUOASU-JXMROGBWSA-N 0 0 281.427 3.502 20 10 CHCDRN Nc1ccc(CCNC(=O)CCCC2CCCCC2)cc1 ZINC000238121454 527479431 /nfs/dbraw/zinc/47/94/31/527479431.db2.gz VHUJEGFOYAEJNB-UHFFFAOYSA-N 0 0 288.435 3.678 20 10 CHCDRN CC(C)c1nnc(N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000302400283 528459580 /nfs/dbraw/zinc/45/95/80/528459580.db2.gz KXLZWMVHSUIIHM-NSHDSACASA-N 0 0 290.436 3.901 20 10 CHCDRN CC(C)CC[C@@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001591218432 992079800 /nfs/dbraw/zinc/07/98/00/992079800.db2.gz YPZXEZWLILNWJD-VXGBXAGGSA-N 0 0 279.380 3.566 20 10 CHCDRN C[C@H]([NH2+]CCC1=CCCCC1)c1cc(C(=O)[O-])ccc1O ZINC001593260338 994544545 /nfs/dbraw/zinc/54/45/45/994544545.db2.gz DHJUDECUUHLAJW-LBPRGKRZSA-N 0 0 289.375 3.632 20 10 CHCDRN CC[N@H+](Cc1ccc(Cl)cc1[O-])C1CCCC1 ZINC001181655437 1122067662 /nfs/dbraw/zinc/06/76/62/1122067662.db2.gz JXXYLODFFBXCHN-UHFFFAOYSA-N 0 0 253.773 3.810 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CCCC12CC2 ZINC001183196435 1122210293 /nfs/dbraw/zinc/21/02/93/1122210293.db2.gz BOWINQNFTVLNEX-LLVKDONJSA-N 0 0 283.774 3.855 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC001184265303 1122265580 /nfs/dbraw/zinc/26/55/80/1122265580.db2.gz SEYDUVRXNARWQF-TZMCWYRMSA-N 0 0 265.784 3.714 20 10 CHCDRN C[C@@H]1CC[C@@H](CC(=O)NCCCSc2nccs2)C1 ZINC000129825215 1125352175 /nfs/dbraw/zinc/35/21/75/1125352175.db2.gz ANZNBUVPIQAANM-VXGBXAGGSA-N 0 0 298.477 3.568 20 10 CHCDRN CCN(Cc1csc(Cl)n1)Cc1ccccc1O ZINC001139979460 1131653381 /nfs/dbraw/zinc/65/33/81/1131653381.db2.gz LZFVVZSJCNJHCE-UHFFFAOYSA-N 0 0 282.796 3.524 20 10 CHCDRN Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001140467223 1131753090 /nfs/dbraw/zinc/75/30/90/1131753090.db2.gz QFWHVNPABZJTPG-SNVBAGLBSA-N 0 0 275.726 3.523 20 10 CHCDRN COc1ccc(N(C)Cc2ccccc2Cl)cc1 ZINC001171746457 1132087966 /nfs/dbraw/zinc/08/79/66/1132087966.db2.gz ZTDSUCHIJAATBW-UHFFFAOYSA-N 0 0 261.752 3.985 20 10 CHCDRN CC1(CC(F)(F)F)CN(Cc2c(O)cccc2Cl)C1 ZINC000839142411 1132183902 /nfs/dbraw/zinc/18/39/02/1132183902.db2.gz FUSAFGYCNHORAU-UHFFFAOYSA-N 0 0 293.716 3.820 20 10 CHCDRN CC[C@H]([NH2+][C@@H](CC)[C@H](O)C(C)C)c1ccc(C)cc1O ZINC000840880323 1132300298 /nfs/dbraw/zinc/30/02/98/1132300298.db2.gz BWQAIVBOFRPPNP-YQQAZPJKSA-N 0 0 279.424 3.537 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)c1csnn1)c1cccc(Cl)c1[O-] ZINC000840886264 1132302336 /nfs/dbraw/zinc/30/23/36/1132302336.db2.gz UJWAUEFNCRETGK-GZMMTYOYSA-N 0 0 297.811 3.699 20 10 CHCDRN Cc1cc(Cl)nc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000282909595 1125532887 /nfs/dbraw/zinc/53/28/87/1125532887.db2.gz XGIQMFXRZAPAAC-JTQLQIEISA-N 0 0 294.757 3.739 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])C1CCOCC1 ZINC000841748658 1125577689 /nfs/dbraw/zinc/57/76/89/1125577689.db2.gz BBINLPMTLKMOJV-IAQYHMDHSA-N 0 0 297.826 3.901 20 10 CHCDRN COCCC(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841752501 1125583912 /nfs/dbraw/zinc/58/39/12/1125583912.db2.gz PBCCZSQRBWFRSE-NSHDSACASA-N 0 0 285.815 3.759 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841757142 1125597208 /nfs/dbraw/zinc/59/72/08/1125597208.db2.gz FBGDOQRBEMRFLQ-WDEREUQCSA-N 0 0 283.799 3.511 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1[O-] ZINC000841759270 1125599230 /nfs/dbraw/zinc/59/92/30/1125599230.db2.gz XVENUWGZWFOICG-VXGBXAGGSA-N 0 0 297.826 3.901 20 10 CHCDRN COc1cc(C[NH2+][C@H](C)c2c([O-])cccc2F)ccc1C ZINC000886515551 1125682846 /nfs/dbraw/zinc/68/28/46/1125682846.db2.gz NFQNOKYJZFFSGN-GFCCVEGCSA-N 0 0 289.350 3.699 20 10 CHCDRN COc1ccc([C@@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886519380 1125683229 /nfs/dbraw/zinc/68/32/29/1125683229.db2.gz UHBKCAAUWDXFQB-VXGBXAGGSA-N 0 0 289.350 3.952 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1c([O-])cccc1F ZINC000886525023 1125683941 /nfs/dbraw/zinc/68/39/41/1125683941.db2.gz VWGFOOSEMSDALR-YGRLFVJLSA-N 0 0 287.334 3.575 20 10 CHCDRN COc1ccc(O)c(CNc2cccc3ccc(C)nc32)c1 ZINC000237362971 1125687415 /nfs/dbraw/zinc/68/74/15/1125687415.db2.gz OHBBPWWWBTYWKK-UHFFFAOYSA-N 0 0 294.354 3.870 20 10 CHCDRN COc1cc(C)cc(C[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886555493 1125689909 /nfs/dbraw/zinc/68/99/09/1125689909.db2.gz UPEWNMPVVUPVHY-GFCCVEGCSA-N 0 0 289.350 3.699 20 10 CHCDRN C[C@@H]([NH2+]CCCC(C)(F)F)c1c([O-])cccc1F ZINC000886616149 1125697810 /nfs/dbraw/zinc/69/78/10/1125697810.db2.gz WBSWMQCRGMXQIL-SECBINFHSA-N 0 0 261.287 3.617 20 10 CHCDRN C[C@@H](Nc1cnn([C@H](C)C2CC2)c1)c1c(O)cccc1F ZINC000886594199 1125695505 /nfs/dbraw/zinc/69/55/05/1125695505.db2.gz HRQQSXLDROIQGK-GHMZBOCLSA-N 0 0 289.354 3.872 20 10 CHCDRN C[C@@H](N[C@H](C)c1c(F)cncc1F)c1c(O)cccc1F ZINC000886609359 1125696687 /nfs/dbraw/zinc/69/66/87/1125696687.db2.gz REKCNZVCPNNRFZ-RKDXNWHRSA-N 0 0 296.292 3.616 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCCC12CCOCC2)c1c([O-])cccc1F ZINC000886607372 1125696836 /nfs/dbraw/zinc/69/68/36/1125696836.db2.gz QLCDOXIKXVRLRJ-WFASDCNBSA-N 0 0 293.382 3.531 20 10 CHCDRN C[C@H]([NH2+]CC[C@]1(C)C[C@]1(F)Cl)c1c([O-])cccc1F ZINC000886630994 1125699722 /nfs/dbraw/zinc/69/97/22/1125699722.db2.gz ABOBZWFZCRZGIM-CUOATXAZSA-N 0 0 289.753 3.887 20 10 CHCDRN COCc1cccc(CN(C)c2ccc(OC)c(F)c2)c1 ZINC000179231369 1125699869 /nfs/dbraw/zinc/69/98/69/1125699869.db2.gz ILERWGXLEWDTJB-UHFFFAOYSA-N 0 0 289.350 3.617 20 10 CHCDRN COc1cccc(C[NH2+][C@H](C)c2c([O-])cccc2F)c1C ZINC000886639573 1125701508 /nfs/dbraw/zinc/70/15/08/1125701508.db2.gz GKPQKSUBZFJPSC-GFCCVEGCSA-N 0 0 289.350 3.699 20 10 CHCDRN Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)s1 ZINC000886645388 1125702356 /nfs/dbraw/zinc/70/23/56/1125702356.db2.gz XYGNABXSFYEDBZ-BDAKNGLRSA-N 0 0 280.368 3.708 20 10 CHCDRN [O-]c1c(Br)cccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000826539434 1125756859 /nfs/dbraw/zinc/75/68/59/1125756859.db2.gz TXEZRIZZTYOIJX-GWCFXTLKSA-N 0 0 296.208 3.529 20 10 CHCDRN CC(C)CO[C@@H](C)c1noc(CSc2nccs2)n1 ZINC000174884996 1126774550 /nfs/dbraw/zinc/77/45/50/1126774550.db2.gz VXYFTWSFSBHPKP-VIFPVBQESA-N 0 0 299.421 3.552 20 10 CHCDRN Cc1ccc(NCc2cc3c(cc2O)OCO3)c(Cl)c1 ZINC000042879627 1126838163 /nfs/dbraw/zinc/83/81/63/1126838163.db2.gz BSYFCLCCHVHWOC-UHFFFAOYSA-N 0 0 291.734 3.695 20 10 CHCDRN Cc1ccc(C(=O)N2CC[C@H](C)c3ccccc32)c(O)c1O ZINC000182124323 1126866704 /nfs/dbraw/zinc/86/67/04/1126866704.db2.gz GNCSYXJFDORBNZ-NSHDSACASA-N 0 0 297.354 3.560 20 10 CHCDRN CCCCC[C@@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000042993678 1126882136 /nfs/dbraw/zinc/88/21/36/1126882136.db2.gz WCPOAVPSZMEZCF-CYBMUJFWSA-N 0 0 278.396 3.502 20 10 CHCDRN C[C@H](C[N@H+](C)Cc1cccc(Cl)c1[O-])c1nccs1 ZINC000183252682 1126883747 /nfs/dbraw/zinc/88/37/47/1126883747.db2.gz UULWOYIJWNKPLK-SNVBAGLBSA-N 0 0 296.823 3.738 20 10 CHCDRN Cc1cc2c(cc1N[C@@H](C)c1ccccc1O)OCO2 ZINC000183722678 1126890303 /nfs/dbraw/zinc/89/03/03/1126890303.db2.gz DCEUZMFJACRNHV-NSHDSACASA-N 0 0 271.316 3.602 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185387118 1126899951 /nfs/dbraw/zinc/89/99/51/1126899951.db2.gz APJDZECNEPHBAQ-RKDXNWHRSA-N 0 0 290.190 3.529 20 10 CHCDRN CC[C@@H](CCO)C[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000268044512 1127010449 /nfs/dbraw/zinc/01/04/49/1127010449.db2.gz PSNZUCROEWQYLS-HNNXBMFYSA-N 0 0 299.414 3.557 20 10 CHCDRN c1csc(SCc2ccn(C3CCCC3)n2)n1 ZINC000268615141 1127019835 /nfs/dbraw/zinc/01/98/35/1127019835.db2.gz MCAQECCUCGCFTE-UHFFFAOYSA-N 0 0 265.407 3.747 20 10 CHCDRN Nc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 ZINC000269134036 1127035672 /nfs/dbraw/zinc/03/56/72/1127035672.db2.gz PRFQRFPOQUORFR-UHFFFAOYSA-N 0 0 298.361 3.858 20 10 CHCDRN CC(C)N(Cc1nccs1)Cc1ccc(N(C)C)cc1 ZINC000269706520 1127045271 /nfs/dbraw/zinc/04/52/71/1127045271.db2.gz ZTNZESCJTIEOCU-UHFFFAOYSA-N 0 0 289.448 3.620 20 10 CHCDRN C[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2Cl)[C@H]1C ZINC001237123983 1131054149 /nfs/dbraw/zinc/05/41/49/1131054149.db2.gz IKRYUQCBZSSRCZ-ZJUUUORDSA-N 0 0 271.763 3.805 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)/C=C(\C)C2CC2)cc1 ZINC000055446812 1127162025 /nfs/dbraw/zinc/16/20/25/1127162025.db2.gz QSSKWBXSQIULEC-WYMLVPIESA-N 0 0 286.419 3.505 20 10 CHCDRN CC1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCC1 ZINC000816530353 1131102874 /nfs/dbraw/zinc/10/28/74/1131102874.db2.gz FIHXYACDWGBUDW-UHFFFAOYSA-N 0 0 257.736 3.607 20 10 CHCDRN C[C@H]1CC[C@H](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000164683926 1127181372 /nfs/dbraw/zinc/18/13/72/1127181372.db2.gz ULSDICPLQIUXMB-HOCLYGCPSA-N 0 0 288.435 3.537 20 10 CHCDRN C[C@@H]1CC[C@H](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000164683820 1127181381 /nfs/dbraw/zinc/18/13/81/1127181381.db2.gz ULSDICPLQIUXMB-ZBFHGGJFSA-N 0 0 288.435 3.537 20 10 CHCDRN CCCC[C@H](C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000799989113 1131119893 /nfs/dbraw/zinc/11/98/93/1131119893.db2.gz KBVKJGBESWPRKL-UONOGXRCSA-N 0 0 276.424 3.756 20 10 CHCDRN Oc1cccc(C(F)(F)F)c1Nc1ccncc1Cl ZINC001212160050 1127228296 /nfs/dbraw/zinc/22/82/96/1127228296.db2.gz JMLSHDUREIACKA-UHFFFAOYSA-N 0 0 288.656 3.625 20 10 CHCDRN CC[C@H]([NH2+]Cc1ccccc1F)c1ccc(F)cc1[O-] ZINC000285630602 1127239571 /nfs/dbraw/zinc/23/95/71/1127239571.db2.gz LGIFGFNBZNEOPQ-HNNXBMFYSA-N 0 0 277.314 3.911 20 10 CHCDRN CC[C@H]([NH2+]Cc1ccc(OC)cc1)c1ccc(F)cc1[O-] ZINC000285714980 1127241273 /nfs/dbraw/zinc/24/12/73/1127241273.db2.gz PSYJCYGNEXQKIO-INIZCTEOSA-N 0 0 289.350 3.781 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cccs1)c1ccc(F)cc1[O-] ZINC000285732733 1127241473 /nfs/dbraw/zinc/24/14/73/1127241473.db2.gz QRLHCUNCRZSTRP-CYBMUJFWSA-N 0 0 265.353 3.834 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc(F)cc1[O-] ZINC000286047305 1127256113 /nfs/dbraw/zinc/25/61/13/1127256113.db2.gz KBBKOTALXYYLCR-HIFRSBDPSA-N 0 0 293.382 3.674 20 10 CHCDRN CCOCCC1(C[NH2+][C@@H](CC)c2ccc(F)cc2[O-])CC1 ZINC000286102939 1127258530 /nfs/dbraw/zinc/25/85/30/1127258530.db2.gz MQRUUQLXCAFCHB-HNNXBMFYSA-N 0 0 295.398 3.779 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H](C)c1nccs1)c1ccc(F)cc1[O-] ZINC000286218302 1127263188 /nfs/dbraw/zinc/26/31/88/1127263188.db2.gz SFJMTPXMACTJIE-MFKMUULPSA-N 0 0 294.395 3.832 20 10 CHCDRN CC[C@@H](Nc1ccc(CCO)cc1)c1ccc(F)cc1O ZINC000286335676 1127265652 /nfs/dbraw/zinc/26/56/52/1127265652.db2.gz YPQVWCXJNIRJFG-MRXNPFEDSA-N 0 0 289.350 3.629 20 10 CHCDRN CN(C)c1ccccc1NCc1cc(Cl)ccc1O ZINC000057716637 1127276414 /nfs/dbraw/zinc/27/64/14/1127276414.db2.gz QRVPEBCVRGOFKR-UHFFFAOYSA-N 0 0 276.767 3.724 20 10 CHCDRN CC(C)C1(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000224896914 1127287577 /nfs/dbraw/zinc/28/75/77/1127287577.db2.gz GCZTUCOWQDBTNA-UHFFFAOYSA-N 0 0 253.773 3.571 20 10 CHCDRN Cc1ccc([C@H](C)N[C@@H](C2CC2)C(F)(F)F)c(O)c1 ZINC000287457605 1127306436 /nfs/dbraw/zinc/30/64/36/1127306436.db2.gz VNZHQVCGUKPKIL-ZANVPECISA-N 0 0 273.298 3.692 20 10 CHCDRN Cc1ccc([C@@H](C)[NH2+]CCCc2cccc(C)n2)c(O)c1 ZINC000287545681 1127309870 /nfs/dbraw/zinc/30/98/70/1127309870.db2.gz PNXFURWYRGADGO-OAHLLOKOSA-N 0 0 284.403 3.687 20 10 CHCDRN CC[C@@H]([NH2+]CC[C@@H](C)O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287592421 1127310681 /nfs/dbraw/zinc/31/06/81/1127310681.db2.gz IDXZTWCHRJXNSG-PRHODGIISA-N 0 0 292.206 3.511 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)CCOC)c1cccc(Cl)c1[O-] ZINC000287637105 1127310868 /nfs/dbraw/zinc/31/08/68/1127310868.db2.gz KSKKSZQSWLOBGH-ZWNOBZJWSA-N 0 0 271.788 3.511 20 10 CHCDRN CC[C@H]([NH2+]CC[C@@H](C)OC)c1cccc(Cl)c1[O-] ZINC000287733342 1127312542 /nfs/dbraw/zinc/31/25/42/1127312542.db2.gz PFQNZRNGYCODMG-MFKMUULPSA-N 0 0 271.788 3.511 20 10 CHCDRN CC[C@H]([NH2+]CC[C@H](C)OC)c1cccc(Cl)c1[O-] ZINC000287733338 1127312657 /nfs/dbraw/zinc/31/26/57/1127312657.db2.gz PFQNZRNGYCODMG-GWCFXTLKSA-N 0 0 271.788 3.511 20 10 CHCDRN CN(C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(N)cc1 ZINC000167501430 1127363800 /nfs/dbraw/zinc/36/38/00/1127363800.db2.gz CVRMWHGIKQVOHG-RBSFLKMASA-N 0 0 286.419 3.838 20 10 CHCDRN [O-]c1cc(Cl)c(F)cc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC001237933610 1129219159 /nfs/dbraw/zinc/21/91/59/1129219159.db2.gz DUNUBWMEDYIWRN-QWRGUYRKSA-N 0 0 283.774 3.807 20 10 CHCDRN CCOc1ccc(NCc2cc(F)ccc2O)cc1F ZINC000226580768 1127411687 /nfs/dbraw/zinc/41/16/87/1127411687.db2.gz OEGQLGCZCWCWBC-UHFFFAOYSA-N 0 0 279.286 3.681 20 10 CHCDRN Cc1nc2cc(NCc3cc(F)ccc3O)ccc2o1 ZINC000226585618 1127412589 /nfs/dbraw/zinc/41/25/89/1127412589.db2.gz BZXOHSQQMWTJAS-UHFFFAOYSA-N 0 0 272.279 3.593 20 10 CHCDRN C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001308826185 1127498030 /nfs/dbraw/zinc/49/80/30/1127498030.db2.gz UTIAKTMPTBTGRI-KXUCPTDWSA-N 0 0 271.763 3.661 20 10 CHCDRN CC1(C)CN(Cc2cc(F)ccc2O)[C@@H]1c1ccncc1 ZINC000293909100 1127532191 /nfs/dbraw/zinc/53/21/91/1127532191.db2.gz LQIWWCGHXIFWCX-MRXNPFEDSA-N 0 0 286.350 3.509 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)c1ccsc1C ZINC000294816166 1127601567 /nfs/dbraw/zinc/60/15/67/1127601567.db2.gz GHLQUFHTDAVELZ-UHFFFAOYSA-N 0 0 289.400 3.815 20 10 CHCDRN CCC[C@@H]1CCC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000294987785 1127612688 /nfs/dbraw/zinc/61/26/88/1127612688.db2.gz YRQQJQAWCDKYOJ-UKRRQHHQSA-N 0 0 275.392 3.567 20 10 CHCDRN Oc1ccc2ccccc2c1C[NH+]1CCC(CF)CC1 ZINC000295080982 1127619053 /nfs/dbraw/zinc/61/90/53/1127619053.db2.gz QJYLQMUABGIZML-UHFFFAOYSA-N 0 0 273.351 3.727 20 10 CHCDRN C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC001308975627 1127626101 /nfs/dbraw/zinc/62/61/01/1127626101.db2.gz VWPVKULZVKIYGC-UHIISALHSA-N 0 0 267.800 3.960 20 10 CHCDRN Oc1cc(Cl)c(F)cc1CN1CCc2ccsc2C1 ZINC001237935581 1129221114 /nfs/dbraw/zinc/22/11/14/1129221114.db2.gz FHLQPELYIMYKNU-UHFFFAOYSA-N 0 0 297.782 3.805 20 10 CHCDRN CC[C@H]1CCC[N@H+](Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232270166 1127653750 /nfs/dbraw/zinc/65/37/50/1127653750.db2.gz WGEUBNKYMJBXPF-NSHDSACASA-N 0 0 283.799 3.676 20 10 CHCDRN c1ccc2c(c1)CCN2Cc1cnc2ccccc2c1 ZINC000006896933 1127664550 /nfs/dbraw/zinc/66/45/50/1127664550.db2.gz ANNWJGYNOCTAAO-UHFFFAOYSA-N 0 0 260.340 3.798 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCOC1(C)C)c1cccc(Cl)c1[O-] ZINC000296648833 1127679865 /nfs/dbraw/zinc/67/98/65/1127679865.db2.gz YRSDEODZLKZQKA-QWHCGFSZSA-N 0 0 283.799 3.654 20 10 CHCDRN C[C@H](Nc1ccccc1OCCF)c1ccccc1O ZINC000297153408 1127689247 /nfs/dbraw/zinc/68/92/47/1127689247.db2.gz CLBNYLQOAAMCNS-LBPRGKRZSA-N 0 0 275.323 3.914 20 10 CHCDRN Cc1cc(C(=O)N2CCCC[C@H]2C)c(C)n1-c1ccccn1 ZINC000298349698 1127719956 /nfs/dbraw/zinc/71/99/56/1127719956.db2.gz SUHQADIRDATWOT-CYBMUJFWSA-N 0 0 297.402 3.504 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)C(C)C ZINC000172508289 1127767355 /nfs/dbraw/zinc/76/73/55/1127767355.db2.gz IYQDMNFUDCDWSJ-CQSZACIVSA-N 0 0 292.423 3.606 20 10 CHCDRN Cc1cccc(OCC[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000062748307 1127774138 /nfs/dbraw/zinc/77/41/38/1127774138.db2.gz FHDIAQJZTZVARO-ZDUSSCGKSA-N 0 0 289.350 3.569 20 10 CHCDRN C[C@@H](Cc1ccsc1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062748203 1127774237 /nfs/dbraw/zinc/77/42/37/1127774237.db2.gz KZHFJCYPMUHVDP-QWRGUYRKSA-N 0 0 279.380 3.875 20 10 CHCDRN Nc1ccc(Cc2nc(C3CCCCCC3)no2)cc1 ZINC000087945513 1127837598 /nfs/dbraw/zinc/83/75/98/1127837598.db2.gz VUYZFBJALSTLHN-UHFFFAOYSA-N 0 0 271.364 3.680 20 10 CHCDRN CCCCCC[C@@H](C)C(=O)NCc1cc(OC)ccc1O ZINC000173580929 1127840576 /nfs/dbraw/zinc/84/05/76/1127840576.db2.gz YJWYAHZVKSITKB-CYBMUJFWSA-N 0 0 293.407 3.624 20 10 CHCDRN CC[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1ccccc1O ZINC000373446215 1127843795 /nfs/dbraw/zinc/84/37/95/1127843795.db2.gz BXEWNOJMKNOTMD-MSOLQXFVSA-N 0 0 296.414 3.620 20 10 CHCDRN Cc1cc(N[C@H]2CCc3cccc(O)c32)ccc1F ZINC000312071290 1127978051 /nfs/dbraw/zinc/97/80/51/1127978051.db2.gz HPPNKKCPNGRVKX-AWEZNQCLSA-N 0 0 257.308 3.939 20 10 CHCDRN C[C@@H](NC(=O)[C@H]1CCC=CCCC1)c1ccccc1O ZINC000913763486 1128080248 /nfs/dbraw/zinc/08/02/48/1128080248.db2.gz ICLGBEKWXGADCF-KGLIPLIRSA-N 0 0 273.376 3.706 20 10 CHCDRN CCCCc1nnc(NCc2ccc(N(C)C)cc2)s1 ZINC000777509126 1128096792 /nfs/dbraw/zinc/09/67/92/1128096792.db2.gz WSSNZHOXBGXRTI-UHFFFAOYSA-N 0 0 290.436 3.559 20 10 CHCDRN Cc1cc(C(=O)NC2CCC2)c(C)n1-c1ccccc1C ZINC000730554505 1128181567 /nfs/dbraw/zinc/18/15/67/1128181567.db2.gz CCHXJQZUDIZMPC-UHFFFAOYSA-N 0 0 282.387 3.685 20 10 CHCDRN CCN(C(=O)/C=C/c1cccnc1)c1ccc(Cl)cc1 ZINC000914472383 1128192136 /nfs/dbraw/zinc/19/21/36/1128192136.db2.gz LDKPFBBDKPOUEA-BJMVGYQFSA-N 0 0 286.762 3.801 20 10 CHCDRN CC[C@H](C)C[C@H](CC)Oc1cc(O)c(O)cc1C(C)=O ZINC001234473144 1128194254 /nfs/dbraw/zinc/19/42/54/1128194254.db2.gz CKYOZNGUOAXCLP-JQWIXIFHSA-N 0 0 280.364 3.894 20 10 CHCDRN CCCCCCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914847467 1128252340 /nfs/dbraw/zinc/25/23/40/1128252340.db2.gz QIQZHMBUFIILDB-UHFFFAOYSA-N 0 0 299.418 3.799 20 10 CHCDRN Clc1cccc(-c2nnc(Sc3nccs3)o2)c1 ZINC000914862860 1128255538 /nfs/dbraw/zinc/25/55/38/1128255538.db2.gz QECYAJSFRVAECE-UHFFFAOYSA-N 0 0 295.776 3.998 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000926946701 1128204633 /nfs/dbraw/zinc/20/46/33/1128204633.db2.gz FJSGTEIEFVSHTR-MHYGZLNHSA-N 0 0 295.251 3.519 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000927029482 1128209485 /nfs/dbraw/zinc/20/94/85/1128209485.db2.gz PJVLWADXOLOQOL-OSMZGAPFSA-N 0 0 283.412 3.856 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCCc2cccnc21)c1c([O-])cccc1F ZINC000927062900 1128213182 /nfs/dbraw/zinc/21/31/82/1128213182.db2.gz PXBGRPXHTXZWPU-FZMZJTMJSA-N 0 0 286.350 3.655 20 10 CHCDRN C[C@@H]([NH2+]CC[C@H]1CCC2(CCC2)O1)c1c([O-])cccc1F ZINC000927124002 1128219760 /nfs/dbraw/zinc/21/97/60/1128219760.db2.gz GOBNLSQAUMPQKU-CHWSQXEVSA-N 0 0 293.382 3.674 20 10 CHCDRN CCCOc1ccc(F)cc1Nc1cccc(O)c1O ZINC001212200356 1128224402 /nfs/dbraw/zinc/22/44/02/1128224402.db2.gz XSNUQNRFPOFYKX-UHFFFAOYSA-N 0 0 277.295 3.769 20 10 CHCDRN O=C(/C=C\c1cccnc1)N1CCCc2cc(Cl)ccc21 ZINC000914726539 1128235674 /nfs/dbraw/zinc/23/56/74/1128235674.db2.gz LBJXXWHAUMGLME-YVMONPNESA-N 0 0 298.773 3.728 20 10 CHCDRN C[C@H](Nc1ccc2c(c1)ncn2C)c1ccc(N(C)C)cc1 ZINC000777693398 1128243251 /nfs/dbraw/zinc/24/32/51/1128243251.db2.gz JVEDCFZXLPMTPF-ZDUSSCGKSA-N 0 0 294.402 3.812 20 10 CHCDRN O=C(C[C@H]1CC=CCC1)NCc1ccc(N2CCCC2)cc1 ZINC000930204844 1128307588 /nfs/dbraw/zinc/30/75/88/1128307588.db2.gz DCBFFSQFGQCMSI-INIZCTEOSA-N 0 0 298.430 3.649 20 10 CHCDRN COc1ccc(N(Cc2cnc(C3CC3)o2)CC2CC2)cc1 ZINC000930641420 1128328720 /nfs/dbraw/zinc/32/87/20/1128328720.db2.gz LYQSFSJSRWUTDG-UHFFFAOYSA-N 0 0 298.386 3.977 20 10 CHCDRN CC[C@H]([NH2+]Cc1cccc(Br)c1[O-])C(C)C ZINC000042586620 1128347674 /nfs/dbraw/zinc/34/76/74/1128347674.db2.gz FQMFZXQRRDVIEN-LBPRGKRZSA-N 0 0 286.213 3.679 20 10 CHCDRN CCN(C)c1ccc(CSc2nccs2)cc1 ZINC000153815430 1128405345 /nfs/dbraw/zinc/40/53/45/1128405345.db2.gz GFEXQYWJCRWIIE-UHFFFAOYSA-N 0 0 264.419 3.892 20 10 CHCDRN Cn1c2ccc(Cl)cc2nc1Sc1nccs1 ZINC000917085156 1128477419 /nfs/dbraw/zinc/47/74/19/1128477419.db2.gz CLDYGPDHCJELQM-UHFFFAOYSA-N 0 0 281.793 3.834 20 10 CHCDRN CC1=NO[C@@H](CSc2ncc(C(C)(C)C)s2)C1 ZINC000917217488 1128490584 /nfs/dbraw/zinc/49/05/84/1128490584.db2.gz MEPMMAFCCWZANR-SECBINFHSA-N 0 0 270.423 3.698 20 10 CHCDRN Cc1cccc(C[N@@H+](C)Cc2c(O)ccc3ccncc32)c1 ZINC000917487175 1128501855 /nfs/dbraw/zinc/50/18/55/1128501855.db2.gz UFJLZPFZQATAKM-UHFFFAOYSA-N 0 0 292.382 3.881 20 10 CHCDRN Cc1ccc(NCc2cc3c(cc2O)OCO3)cc1Cl ZINC000042879087 1128588205 /nfs/dbraw/zinc/58/82/05/1128588205.db2.gz XWEXEONDFPUSAN-UHFFFAOYSA-N 0 0 291.734 3.695 20 10 CHCDRN Cc1cc(F)ccc1CC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158138511 1128665096 /nfs/dbraw/zinc/66/50/96/1128665096.db2.gz DNVUBPMWOBPCSH-UHFFFAOYSA-N 0 0 293.769 3.825 20 10 CHCDRN CCC/C(C)=C/C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000920286906 1128676430 /nfs/dbraw/zinc/67/64/30/1128676430.db2.gz XAZWMFSXMBXZRW-FYWRMAATSA-N 0 0 286.419 3.649 20 10 CHCDRN C[C@H]1CCCC[C@@H]1CC(=O)N(C)Cc1ccccc1O ZINC000920455181 1128682934 /nfs/dbraw/zinc/68/29/34/1128682934.db2.gz OXILIFPUDIRKTM-UONOGXRCSA-N 0 0 275.392 3.567 20 10 CHCDRN C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)[C@H]1c1ccccc1 ZINC000779034655 1128691637 /nfs/dbraw/zinc/69/16/37/1128691637.db2.gz ZEMIKUJOUFPOHF-SJKOYZFVSA-N 0 0 271.335 3.724 20 10 CHCDRN C[C@H]([NH2+][C@H](C1CC1)C1CCC1)c1ccc(F)cc1[O-] ZINC000324775593 1128708752 /nfs/dbraw/zinc/70/87/52/1128708752.db2.gz FCAQGBLUMIHYER-QFYYESIMSA-N 0 0 263.356 3.761 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000048429520 1128709314 /nfs/dbraw/zinc/70/93/14/1128709314.db2.gz OAVRRKWDVBOMGT-UHFFFAOYSA-N 0 0 270.376 3.622 20 10 CHCDRN Cc1cc(Cl)cc(C(=O)N(C)Cc2ccccc2O)c1 ZINC000159641666 1128715915 /nfs/dbraw/zinc/71/59/15/1128715915.db2.gz HBDSTYVXUHCMHQ-UHFFFAOYSA-N 0 0 289.762 3.626 20 10 CHCDRN O=C(/C=C/c1cncc(F)c1)N(CC1CC1)c1ccccc1 ZINC000175392152 1128727721 /nfs/dbraw/zinc/72/77/21/1128727721.db2.gz SHUGAYRVFHUCSJ-CMDGGOBGSA-N 0 0 296.345 3.677 20 10 CHCDRN CCCCCC[C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC000175505795 1128732916 /nfs/dbraw/zinc/73/29/16/1128732916.db2.gz IXBVKQIHPCXQDV-CQSZACIVSA-N 0 0 277.408 3.957 20 10 CHCDRN Cc1ccc(NC(=O)[C@@H](C)Sc2nccs2)cc1C ZINC000048875620 1128733705 /nfs/dbraw/zinc/73/37/05/1128733705.db2.gz CCEIDYJZENNUAB-LLVKDONJSA-N 0 0 292.429 3.879 20 10 CHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1C[C@H]1C ZINC000049249668 1128749888 /nfs/dbraw/zinc/74/98/88/1128749888.db2.gz YGQITITYMCNELA-MFKMUULPSA-N 0 0 288.416 3.541 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCC(C)(C)C ZINC000471218315 1117988741 /nfs/dbraw/zinc/98/87/41/1117988741.db2.gz BAYBQDCHQVMXKJ-UHFFFAOYSA-N 0 0 286.419 3.929 20 10 CHCDRN CCN(CC)c1ccc(CN(C)C(=O)CC(C)C)cc1 ZINC000728220206 1118007417 /nfs/dbraw/zinc/00/74/17/1118007417.db2.gz WWFRTOQSCSOBIV-UHFFFAOYSA-N 0 0 276.424 3.537 20 10 CHCDRN CS[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000300419239 1118028521 /nfs/dbraw/zinc/02/85/21/1118028521.db2.gz UACCZZSLTSDLRK-WDBKCZKBSA-N 0 0 283.412 3.856 20 10 CHCDRN C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000042411684 1118030931 /nfs/dbraw/zinc/03/09/31/1118030931.db2.gz STCYPBVQMIHHNW-ZWNOBZJWSA-N 0 0 298.224 3.823 20 10 CHCDRN C[C@@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])CC1 ZINC000211466085 1118055757 /nfs/dbraw/zinc/05/57/57/1118055757.db2.gz ZJDJPIJELGPYKP-LLVKDONJSA-N 0 0 298.224 3.777 20 10 CHCDRN C[C@@H]1CSCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000179663753 1128753816 /nfs/dbraw/zinc/75/38/16/1128753816.db2.gz MVMQSBLATFQPPP-MRVPVSSYSA-N 0 0 292.231 3.636 20 10 CHCDRN CC(C)c1ccoc1C(=O)NCc1cccc(Cl)c1O ZINC000890759702 1118076425 /nfs/dbraw/zinc/07/64/25/1118076425.db2.gz PBOCNJJHEVFQLX-UHFFFAOYSA-N 0 0 293.750 3.692 20 10 CHCDRN COc1c(F)ccc(N(C)c2ccc(N)cc2)c1Cl ZINC001209806858 1118092758 /nfs/dbraw/zinc/09/27/58/1118092758.db2.gz OJARPHUDXJSLGT-UHFFFAOYSA-N 0 0 280.730 3.838 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)c1cccc2ccsc21 ZINC000386335223 1118169419 /nfs/dbraw/zinc/16/94/19/1118169419.db2.gz QOPKBRICKILJQO-UHFFFAOYSA-N 0 0 297.379 3.879 20 10 CHCDRN CC[C@H](C)N(Cc1ccccc1)C(=O)c1cccc(O)c1O ZINC000188417374 1128761986 /nfs/dbraw/zinc/76/19/86/1128761986.db2.gz CTIMTFVRKHEZSL-ZDUSSCGKSA-N 0 0 299.370 3.539 20 10 CHCDRN Nc1ccc(NC(=O)c2cc(F)c(Cl)cc2Cl)cc1 ZINC000237861546 1128765398 /nfs/dbraw/zinc/76/53/98/1128765398.db2.gz NYVXPXUFSQPQLY-UHFFFAOYSA-N 0 0 299.132 3.967 20 10 CHCDRN C[C@H](NC(=O)c1sccc1C(F)F)c1ccccc1O ZINC001648894788 1118272316 /nfs/dbraw/zinc/27/23/16/1118272316.db2.gz SOBVJHYXGVUMJQ-QMMMGPOBSA-N 0 0 297.326 3.882 20 10 CHCDRN Nc1ccc(NC(=O)/C=C/c2nc3ccccc3s2)cc1 ZINC000238010349 1128776337 /nfs/dbraw/zinc/77/63/37/1128776337.db2.gz HMCJOZOJQHPQSC-MDZDMXLPSA-N 0 0 295.367 3.530 20 10 CHCDRN O=C(c1ccc(F)cc1)c1ccccc1Nc1ccncn1 ZINC001211029309 1118441515 /nfs/dbraw/zinc/44/15/15/1118441515.db2.gz VNCXXSQBIUZGCC-UHFFFAOYSA-N 0 0 293.301 3.590 20 10 CHCDRN CCCC[C@H](CCC)NC(=O)N(C)Cc1ccccc1O ZINC000175982422 1118539838 /nfs/dbraw/zinc/53/98/38/1118539838.db2.gz ZJMGVKSVMSWZTM-HNNXBMFYSA-N 0 0 292.423 3.893 20 10 CHCDRN C[N@@H+](Cc1c(O)cccc1Br)CC1CCCC1 ZINC000707152547 1118651752 /nfs/dbraw/zinc/65/17/52/1118651752.db2.gz OFBSEHATKAYAPF-UHFFFAOYSA-N 0 0 298.224 3.777 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)NCCCC1CC1 ZINC000077624073 1118666917 /nfs/dbraw/zinc/66/69/17/1118666917.db2.gz PLELSEZCLIPKMO-UHFFFAOYSA-N 0 0 290.407 3.504 20 10 CHCDRN COc1ccc(C[N@H+](C)Cc2ccc(Cl)cc2O)cc1 ZINC001140463089 1118721781 /nfs/dbraw/zinc/72/17/81/1118721781.db2.gz SCSQEVFHLXCKNC-UHFFFAOYSA-N 0 0 291.778 3.686 20 10 CHCDRN CC[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000068846488 1128800367 /nfs/dbraw/zinc/80/03/67/1128800367.db2.gz ABGJXLIGPGZFFE-CYBMUJFWSA-N 0 0 284.403 3.931 20 10 CHCDRN Cc1cc(C)c(NC(=O)/C=C/c2ccc(O)c(O)c2)c(C)c1 ZINC000180687486 1128802328 /nfs/dbraw/zinc/80/23/28/1128802328.db2.gz OKGMSFXVZHHDLZ-FNORWQNLSA-N 0 0 297.354 3.675 20 10 CHCDRN CCCc1ccccc1NCc1cccc(OC)c1O ZINC000036974652 1118897761 /nfs/dbraw/zinc/89/77/61/1118897761.db2.gz SHFBOTYMMPCSKI-UHFFFAOYSA-N 0 0 271.360 3.965 20 10 CHCDRN Cc1cncc(/C=C\C(=O)N2C[C@H](C)c3ccccc32)c1 ZINC000255498189 1119058056 /nfs/dbraw/zinc/05/80/56/1119058056.db2.gz OYRVSSGKMBJQAI-DANTVBBOSA-N 0 0 278.355 3.554 20 10 CHCDRN Cc1ccc(C)c(N(C)C(=O)/C=C\c2cncc(C)c2)c1 ZINC000255506667 1119070689 /nfs/dbraw/zinc/07/06/89/1119070689.db2.gz WRGGCLOLXSYFGX-FPLPWBNLSA-N 0 0 280.371 3.683 20 10 CHCDRN CCCC1CCC(NC(=O)Nc2ccc(N)cc2)CC1 ZINC000049548219 1119103334 /nfs/dbraw/zinc/10/33/34/1119103334.db2.gz FWCAAAURSIJTON-UHFFFAOYSA-N 0 0 275.396 3.749 20 10 CHCDRN CCCOc1ccc(NCc2cccc(OC)c2O)cc1 ZINC000051785195 1119127785 /nfs/dbraw/zinc/12/77/85/1119127785.db2.gz AXWRNJBNQWIYDD-UHFFFAOYSA-N 0 0 287.359 3.802 20 10 CHCDRN COc1ccc(N(C)C[C@@H](O)c2ccccc2)cc1Cl ZINC000121851605 1119161902 /nfs/dbraw/zinc/16/19/02/1119161902.db2.gz FSECVBYSEJAMKL-OAHLLOKOSA-N 0 0 291.778 3.518 20 10 CHCDRN Oc1ccc(F)cc1CNc1cccc(Br)c1 ZINC000226580495 1119201823 /nfs/dbraw/zinc/20/18/23/1119201823.db2.gz QYHNJGXDCMMSIO-UHFFFAOYSA-N 0 0 296.139 3.906 20 10 CHCDRN Cc1ccc(N(C)C(=O)/C=C\c2cccnc2)cc1Cl ZINC000255573511 1119387439 /nfs/dbraw/zinc/38/74/39/1119387439.db2.gz XDERGFWIVSGRDV-VURMDHGXSA-N 0 0 286.762 3.720 20 10 CHCDRN O=C(NCc1ccccc1O)Nc1cccc2ccccc21 ZINC000317874824 1119394608 /nfs/dbraw/zinc/39/46/08/1119394608.db2.gz NFSDXTVKJKOSET-UHFFFAOYSA-N 0 0 292.338 3.867 20 10 CHCDRN C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C[C@@H](C)C1 ZINC000252767376 1119483419 /nfs/dbraw/zinc/48/34/19/1119483419.db2.gz IBTXUAPFLMNWMP-PJXYFTJBSA-N 0 0 267.800 3.960 20 10 CHCDRN CCC(CC)(CC)C(=O)N[C@@H](C)c1ccccc1O ZINC000827972900 1119553126 /nfs/dbraw/zinc/55/31/26/1119553126.db2.gz CIIFYOLSDNHBLB-LBPRGKRZSA-N 0 0 263.381 3.786 20 10 CHCDRN CCC[C@H](C)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000310039574 1119719411 /nfs/dbraw/zinc/71/94/11/1119719411.db2.gz XCFNGEDYZUNGIY-JTQLQIEISA-N 0 0 286.213 3.681 20 10 CHCDRN CC[C@@H]([NH2+]CCc1ccccc1)c1ccc(F)cc1[O-] ZINC000796665369 1119736753 /nfs/dbraw/zinc/73/67/53/1119736753.db2.gz HERUIVBSCBKHTI-MRXNPFEDSA-N 0 0 273.351 3.815 20 10 CHCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708764969 1119806043 /nfs/dbraw/zinc/80/60/43/1119806043.db2.gz JPSBVDQRACSDTL-CQSZACIVSA-N 0 0 277.383 3.934 20 10 CHCDRN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708764963 1119806072 /nfs/dbraw/zinc/80/60/72/1119806072.db2.gz JPSBVDQRACSDTL-AWEZNQCLSA-N 0 0 277.383 3.934 20 10 CHCDRN CC(C)CC1(CNC(=O)C2=CC(=O)CS2)CCCC1 ZINC000755859243 1119831405 /nfs/dbraw/zinc/83/14/05/1119831405.db2.gz CNXXNPLROFZOLN-UHFFFAOYSA-N 0 0 281.421 3.790 20 10 CHCDRN C[C@@H]([NH2+]CC1(c2ccccn2)CCC1)c1ccccc1O ZINC000376127970 1119840235 /nfs/dbraw/zinc/84/02/35/1119840235.db2.gz IJMFGQPJKINEMX-CQSZACIVSA-N 0 0 282.387 3.560 20 10 CHCDRN CCOc1ccc(CN(CC)c2ccc(OC)cc2)nc1 ZINC000755911445 1119909131 /nfs/dbraw/zinc/90/91/31/1119909131.db2.gz URVWDCHANWPCLA-UHFFFAOYSA-N 0 0 286.375 3.515 20 10 CHCDRN Oc1ccccc1CN1CCc2c3ccccc3oc2C1 ZINC001203558312 1120030703 /nfs/dbraw/zinc/03/07/03/1120030703.db2.gz CZBIPMCQGVVDKH-UHFFFAOYSA-N 0 0 279.339 3.697 20 10 CHCDRN C[C@H](Nc1cnn(C(C)(C)C)c1)c1cc(F)ccc1O ZINC000186357655 1120033700 /nfs/dbraw/zinc/03/37/00/1120033700.db2.gz QTJXSZVWTUAPAI-JTQLQIEISA-N 0 0 277.343 3.656 20 10 CHCDRN Oc1ccccc1C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000708868061 1120040223 /nfs/dbraw/zinc/04/02/23/1120040223.db2.gz HNLMMZQAKBTRIK-HNNXBMFYSA-N 0 0 259.393 3.794 20 10 CHCDRN Cc1ccc(N[C@H](C)c2cc(F)ccc2O)c(C)n1 ZINC000094664887 1120053750 /nfs/dbraw/zinc/05/37/50/1120053750.db2.gz LDDRRYVQXLTXDD-SNVBAGLBSA-N 0 0 260.312 3.716 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)c1cncs1 ZINC000903310819 1120081174 /nfs/dbraw/zinc/08/11/74/1120081174.db2.gz LNNVMHKFUKTLTM-DTWKUNHWSA-N 0 0 282.796 3.914 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000695095531 1120104677 /nfs/dbraw/zinc/10/46/77/1120104677.db2.gz HGNWYVNHOQRCDC-SNVBAGLBSA-N 0 0 275.726 3.713 20 10 CHCDRN CC[C@H](NCc1ccc(OC)c(C)c1)c1nccs1 ZINC000078004222 1128890761 /nfs/dbraw/zinc/89/07/61/1128890761.db2.gz NKMDOWHJYDGXJM-ZDUSSCGKSA-N 0 0 276.405 3.701 20 10 CHCDRN COc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c([O-])c1Cl ZINC001236805898 1128895403 /nfs/dbraw/zinc/89/54/03/1128895403.db2.gz HESGFZOLJYGBLW-QWRGUYRKSA-N 0 0 283.799 3.532 20 10 CHCDRN CCCCOCCN1CCCc2cc(OC(F)F)ccc21 ZINC001167717644 1120176591 /nfs/dbraw/zinc/17/65/91/1120176591.db2.gz ZNNQDIXZIKRJKH-UHFFFAOYSA-N 0 0 299.361 3.857 20 10 CHCDRN Cc1nc2cc(NCc3ccc(N(C)C)cc3)ccc2o1 ZINC000020143900 1120196312 /nfs/dbraw/zinc/19/63/12/1120196312.db2.gz AGAPCCCPCKJRJR-UHFFFAOYSA-N 0 0 281.359 3.814 20 10 CHCDRN O=C(/C=C\c1cccnc1)N1CCCc2cccc(Cl)c21 ZINC000728705782 1120198076 /nfs/dbraw/zinc/19/80/76/1120198076.db2.gz XIVVBKMKLRMZPM-HJWRWDBZSA-N 0 0 298.773 3.728 20 10 CHCDRN Cc1nnc(Sc2nccs2)n1[C@@H]1CCC[C@H](C)C1 ZINC000893013575 1120198413 /nfs/dbraw/zinc/19/84/13/1120198413.db2.gz KYQDYSZOMAXCEV-GXSJLCMTSA-N 0 0 294.449 3.945 20 10 CHCDRN CC[N@H+](Cc1cc(Br)cc(F)c1[O-])C(C)C ZINC000715702129 1120237773 /nfs/dbraw/zinc/23/77/73/1120237773.db2.gz IZTXDUWTCRKBPC-UHFFFAOYSA-N 0 0 290.176 3.524 20 10 CHCDRN Oc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1O ZINC000225653644 1120248453 /nfs/dbraw/zinc/24/84/53/1120248453.db2.gz WADNADRSNCEAKR-UHFFFAOYSA-N 0 0 294.232 3.660 20 10 CHCDRN Cc1ccc(O)c([C@@H](C)Nc2cc3c(cc2C)OCO3)c1 ZINC000186517129 1120459288 /nfs/dbraw/zinc/45/92/88/1120459288.db2.gz KXEFHRXRRRECSO-GFCCVEGCSA-N 0 0 285.343 3.911 20 10 CHCDRN CCOc1ccccc1N[C@@H](C)c1ccccc1O ZINC000019903900 1120546720 /nfs/dbraw/zinc/54/67/20/1120546720.db2.gz JZNWZQGSMIUCCX-LBPRGKRZSA-N 0 0 257.333 3.964 20 10 CHCDRN CCOc1ccccc1N[C@H](C)c1cc(OC)ccc1O ZINC000019903948 1120547333 /nfs/dbraw/zinc/54/73/33/1120547333.db2.gz FABLTXZHMJYDOH-GFCCVEGCSA-N 0 0 287.359 3.973 20 10 CHCDRN COc1cc(SC)ccc1NCc1ccccc1O ZINC000194497417 1120600271 /nfs/dbraw/zinc/60/02/71/1120600271.db2.gz CSWMNXZPTZAMCQ-UHFFFAOYSA-N 0 0 275.373 3.735 20 10 CHCDRN CCSCCN(C)c1ccc(OC(C)C)cc1 ZINC000759914903 1120622536 /nfs/dbraw/zinc/62/25/36/1120622536.db2.gz KRZMGGSWBYABAG-UHFFFAOYSA-N 0 0 253.411 3.663 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCC(C)C)c1 ZINC000134748198 1120644686 /nfs/dbraw/zinc/64/46/86/1120644686.db2.gz LTNXORDVSRKQIR-UHFFFAOYSA-N 0 0 286.213 3.599 20 10 CHCDRN Nc1ccc(NC(=O)N[C@H]2CCCC23CCCCC3)cc1 ZINC000312987443 1120667323 /nfs/dbraw/zinc/66/73/23/1120667323.db2.gz OBJXGMKBBKIKNZ-HNNXBMFYSA-N 0 0 287.407 3.893 20 10 CHCDRN O=C(C[C@H]1C=CCCC1)NCc1c(O)ccc2c1CCCC2 ZINC000186899612 1120691126 /nfs/dbraw/zinc/69/11/26/1120691126.db2.gz MVZJNXXZXVZTAD-AWEZNQCLSA-N 0 0 299.414 3.634 20 10 CHCDRN CC(=O)c1cc(F)cc(C[N@@H+]2CCC3(CCCC3)C2)c1[O-] ZINC000313920047 1120813787 /nfs/dbraw/zinc/81/37/87/1120813787.db2.gz DKRYVKFSIWENIL-UHFFFAOYSA-N 0 0 291.366 3.500 20 10 CHCDRN CC(C)OCCCN(C)c1ccc(OC(C)C)cc1 ZINC000759932428 1120897241 /nfs/dbraw/zinc/89/72/41/1120897241.db2.gz DXWHAHOLCKSXPI-UHFFFAOYSA-N 0 0 265.397 3.725 20 10 CHCDRN C[C@@H]1C[C@H](C)[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000162911738 1120946948 /nfs/dbraw/zinc/94/69/48/1120946948.db2.gz FFLOXTHCYPDINO-BDAKNGLRSA-N 0 0 274.191 3.929 20 10 CHCDRN CCc1nn(C)cc1N[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000756873110 1120955426 /nfs/dbraw/zinc/95/54/26/1120955426.db2.gz HCOPACGTXOOSMC-GFCCVEGCSA-N 0 0 299.418 3.740 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)c1ccc(F)cc1[O-] ZINC000282484699 1121021141 /nfs/dbraw/zinc/02/11/41/1121021141.db2.gz HIINGIUJFWQPMW-WBMJQRKESA-N 0 0 293.382 3.531 20 10 CHCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C)CC(C)(C)C)c1 ZINC000773408705 1121055732 /nfs/dbraw/zinc/05/57/32/1121055732.db2.gz VBGMXMOCGPTVLH-NEPJUHHUSA-N 0 0 293.407 3.650 20 10 CHCDRN CCCCCC[C@@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779494269 1128960556 /nfs/dbraw/zinc/96/05/56/1128960556.db2.gz VTPNVMAPMUBYNP-PRWOLLLXSA-N 0 0 291.391 3.586 20 10 CHCDRN [O-]c1c(C[NH2+][C@@H]2CCCc3sccc32)ccc(F)c1F ZINC000700764853 1121121528 /nfs/dbraw/zinc/12/15/28/1121121528.db2.gz HVRGGRUMNIRBBH-GFCCVEGCSA-N 0 0 295.354 3.899 20 10 CHCDRN c1csc(SCc2nccn2-c2ccccc2)n1 ZINC000766068776 1121179267 /nfs/dbraw/zinc/17/92/67/1121179267.db2.gz RBMBQUPURAGNAG-UHFFFAOYSA-N 0 0 273.386 3.621 20 10 CHCDRN CC1([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC=CC1 ZINC000702175997 1121185143 /nfs/dbraw/zinc/18/51/43/1121185143.db2.gz VVWPELLSQLXIOC-UHFFFAOYSA-N 0 0 272.175 3.897 20 10 CHCDRN CCOc1ccc(N(C)c2ccc(N)cc2)cc1C ZINC000260187419 1121204684 /nfs/dbraw/zinc/20/46/84/1121204684.db2.gz SPZGWJJNNQTWJA-UHFFFAOYSA-N 0 0 256.349 3.744 20 10 CHCDRN Cc1ccnc(F)c1Nc1nc(-c2ccncc2)cs1 ZINC001212554146 1121295225 /nfs/dbraw/zinc/29/52/25/1121295225.db2.gz KQPQDVFAVLLAFA-UHFFFAOYSA-N 0 0 286.335 3.791 20 10 CHCDRN Oc1cccc(Nc2ccc(F)c(F)c2Cl)c1O ZINC001215403225 1121312428 /nfs/dbraw/zinc/31/24/28/1121312428.db2.gz RYQGHDIIXQHBMA-UHFFFAOYSA-N 0 0 271.650 3.773 20 10 CHCDRN C[N@H+](CCCc1ccccc1)Cc1c([O-])cccc1F ZINC001137837409 1121398099 /nfs/dbraw/zinc/39/80/99/1121398099.db2.gz FXUWYWUPDAETSC-UHFFFAOYSA-N 0 0 273.351 3.596 20 10 CHCDRN COC(C)(C)CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000711887612 1121586026 /nfs/dbraw/zinc/58/60/26/1121586026.db2.gz KSLPSMIYKQHCBA-UHFFFAOYSA-N 0 0 292.206 3.604 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1C=CCC1 ZINC000698297812 1121601523 /nfs/dbraw/zinc/60/15/23/1121601523.db2.gz CCUXFFCRCLIMER-JTQLQIEISA-N 0 0 258.148 3.507 20 10 CHCDRN CN(c1ccc(N)cc1)c1ccc(O)cc1C(F)(F)F ZINC001176341464 1121601455 /nfs/dbraw/zinc/60/14/55/1121601455.db2.gz FXGACPZSXNWPOY-UHFFFAOYSA-N 0 0 282.265 3.761 20 10 CHCDRN Cc1cccc(F)c1NC(=O)N(C)Cc1ccccc1O ZINC000182777250 1128997719 /nfs/dbraw/zinc/99/77/19/1128997719.db2.gz HRHJOXAKTZDWRI-UHFFFAOYSA-N 0 0 288.322 3.504 20 10 CHCDRN Cc1c(C)n(C)c2ccc(OCc3ncnn3C(C)C)cc12 ZINC000664099291 1121680635 /nfs/dbraw/zinc/68/06/35/1121680635.db2.gz VDSIYKOMHNJNHH-UHFFFAOYSA-N 0 0 298.390 3.547 20 10 CHCDRN Cc1cc(C)c2c(c1)N(C(=O)/C=C/c1cccnc1)CCC2 ZINC000727330902 1121715039 /nfs/dbraw/zinc/71/50/39/1121715039.db2.gz CSGMFHGMVWSMMW-BQYQJAHWSA-N 0 0 292.382 3.691 20 10 CHCDRN CC(C)C[C@@H](C)CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000727665471 1121729858 /nfs/dbraw/zinc/72/98/58/1121729858.db2.gz LFNRGWLPUVHKQC-CYBMUJFWSA-N 0 0 294.414 3.580 20 10 CHCDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1cc(C)cc(C)c1 ZINC000729313731 1121774517 /nfs/dbraw/zinc/77/45/17/1121774517.db2.gz YVZAQRUVSSLARS-WAYWQWQTSA-N 0 0 298.361 3.904 20 10 CHCDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1cccc(C)c1 ZINC000729312676 1121774799 /nfs/dbraw/zinc/77/47/99/1121774799.db2.gz DTHHVQILIYLGKC-FPLPWBNLSA-N 0 0 284.334 3.595 20 10 CHCDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1ccc(C)cc1 ZINC000729313405 1121774806 /nfs/dbraw/zinc/77/48/06/1121774806.db2.gz PWIFYDFNAQPQLN-TWGQIWQCSA-N 0 0 284.334 3.595 20 10 CHCDRN C[C@@H]1CCN(C(=O)/C=C\c2cncc(F)c2)c2ccccc21 ZINC000729323096 1121776290 /nfs/dbraw/zinc/77/62/90/1121776290.db2.gz MSKGKLRNMVAFCG-FMFIFOJESA-N 0 0 296.345 3.774 20 10 CHCDRN C/C=C(C)/C=C/C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001178511331 1121791487 /nfs/dbraw/zinc/79/14/87/1121791487.db2.gz SGKZAPACMXXFPJ-ZBRDFRBTSA-N 0 0 286.419 3.624 20 10 CHCDRN CC[C@H](C)c1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001178911669 1121830231 /nfs/dbraw/zinc/83/02/31/1121830231.db2.gz OQMVYXHCJRJEBL-LBPRGKRZSA-N 0 0 299.370 3.541 20 10 CHCDRN CC[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])[C@@H]1CC1(C)C ZINC001178978227 1121831065 /nfs/dbraw/zinc/83/10/65/1121831065.db2.gz VJOYCEYETPACBJ-AAEUAGOBSA-N 0 0 269.335 3.585 20 10 CHCDRN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)c1O ZINC000797127925 1121845831 /nfs/dbraw/zinc/84/58/31/1121845831.db2.gz HOGHVZRBVGBDAM-DFAYQTQMSA-N 0 0 298.224 3.912 20 10 CHCDRN CCN1C(=O)/C(=C\c2cccc(C)c2C)SC1=S ZINC000731155445 1121850929 /nfs/dbraw/zinc/85/09/29/1121850929.db2.gz GXDYGGUAKZFKLU-XYOKQWHBSA-N 0 0 277.414 3.525 20 10 CHCDRN CN(C)c1ccc(CNc2cncc3c2CCCC3)cc1F ZINC001179148453 1121853125 /nfs/dbraw/zinc/85/31/25/1121853125.db2.gz ONZYUDYPLMBSHV-UHFFFAOYSA-N 0 0 299.393 3.778 20 10 CHCDRN O=C(N[C@@H]1CCc2cc(Cl)ccc21)C1=CC(=O)CS1 ZINC000731870810 1121892475 /nfs/dbraw/zinc/89/24/75/1121892475.db2.gz XZDKOCHUWNLGLU-GFCCVEGCSA-N 0 0 293.775 3.524 20 10 CHCDRN CC(C)CC[C@H]1CCC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000732285104 1121916022 /nfs/dbraw/zinc/91/60/22/1121916022.db2.gz RGNARDJTNZFSGT-YPMHNXCESA-N 0 0 281.421 3.788 20 10 CHCDRN C[C@H](c1cc(F)ccc1F)N(C)C(=O)C1=CC(=O)CS1 ZINC000732269984 1121916499 /nfs/dbraw/zinc/91/64/99/1121916499.db2.gz XTMLERVBQVAURK-MRVPVSSYSA-N 0 0 297.326 3.565 20 10 CHCDRN CSc1ccc(COC(=O)C2=CC(=O)CS2)cc1 ZINC000732354908 1121917690 /nfs/dbraw/zinc/91/76/90/1121917690.db2.gz WBCPFQJPYNCIIK-UHFFFAOYSA-N 0 0 280.370 3.533 20 10 CHCDRN C[C@H](OC(=O)C1=CC(=O)CS1)c1ccc(F)cc1F ZINC000732354466 1121917714 /nfs/dbraw/zinc/91/77/14/1121917714.db2.gz MYKHZYJEIYURMQ-ZETCQYMHSA-N 0 0 284.283 3.650 20 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3.948 20 10 CHCDRN C[C@@H](NC(=S)Nc1ccccc1)c1ccc(N(C)C)cc1 ZINC000774256032 1122147970 /nfs/dbraw/zinc/14/79/70/1122147970.db2.gz MEPPECMBILPVQA-CYBMUJFWSA-N 0 0 299.443 3.800 20 10 CHCDRN COCC1([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000774304757 1122152316 /nfs/dbraw/zinc/15/23/16/1122152316.db2.gz YFEKXPIBLNDDLH-MRVPVSSYSA-N 0 0 290.190 3.529 20 10 CHCDRN COCc1ccc(N[C@@H](C)c2cc(F)cc(F)c2O)cc1 ZINC000774482744 1122168937 /nfs/dbraw/zinc/16/89/37/1122168937.db2.gz BVTHEKIHTIDQOV-JTQLQIEISA-N 0 0 293.313 3.990 20 10 CHCDRN Oc1c(Cl)cccc1CNc1cc2cc[nH]c2cn1 ZINC001182624846 1122178144 /nfs/dbraw/zinc/17/81/44/1122178144.db2.gz HHTOFIOLLJRCSA-UHFFFAOYSA-N 0 0 273.723 3.534 20 10 CHCDRN COc1cccc2c(NCc3ccccc3O)cc(C)nc12 ZINC000774524141 1122178504 /nfs/dbraw/zinc/17/85/04/1122178504.db2.gz OOGGVUBMUJHQGF-UHFFFAOYSA-N 0 0 294.354 3.870 20 10 CHCDRN Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc(F)c(F)cc1[O-])CC2 ZINC001182685557 1122182233 /nfs/dbraw/zinc/18/22/33/1122182233.db2.gz RYKNWRKSYBMWBS-INIZCTEOSA-N 0 0 289.325 3.756 20 10 CHCDRN CCOc1cccc(CN(C)c2ccc(OC)cc2)c1 ZINC001182733921 1122185541 /nfs/dbraw/zinc/18/55/41/1122185541.db2.gz HZTCMWAJBHGLTJ-UHFFFAOYSA-N 0 0 271.360 3.730 20 10 CHCDRN [O-]c1cc(Cl)ccc1C[NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001182865559 1122192976 /nfs/dbraw/zinc/19/29/76/1122192976.db2.gz ZNUWZXZWKNAUGZ-GRYCIOLGSA-N 0 0 287.737 3.569 20 10 CHCDRN COc1cc(C)cc(NCc2cc(F)c(F)cc2O)c1C ZINC001183248685 1122214733 /nfs/dbraw/zinc/21/47/33/1122214733.db2.gz QPUZTYWIDOUNQV-UHFFFAOYSA-N 0 0 293.313 3.908 20 10 CHCDRN CC(C)(C)[C@H]1CC[C@H](C(=O)NCc2ccccc2O)CC1 ZINC001184220758 1122261056 /nfs/dbraw/zinc/26/10/56/1122261056.db2.gz INXLTOMLSHFDFK-CTYIDZIISA-N 0 0 289.419 3.861 20 10 CHCDRN O=[N+]([O-])c1c(Sc2nccs2)ccc2cnccc21 ZINC001184981536 1122304241 /nfs/dbraw/zinc/30/42/41/1122304241.db2.gz CJJABTSKZVIBQZ-UHFFFAOYSA-N 0 0 289.341 3.751 20 10 CHCDRN CCN(C)c1ccc([C@H](C)Nc2cnn(CC3CC3)c2)cc1 ZINC000183429954 1129054638 /nfs/dbraw/zinc/05/46/38/1129054638.db2.gz JCNMCHGGDXLZMO-AWEZNQCLSA-N 0 0 298.434 3.922 20 10 CHCDRN CC(C)[C@H]1CN(C(=O)C2=CC(=O)CS2)c2ccccc21 ZINC000775145270 1122443223 /nfs/dbraw/zinc/44/32/23/1122443223.db2.gz UNTAQXUAXBZOPI-CYBMUJFWSA-N 0 0 287.384 3.854 20 10 CHCDRN c1csc(SC[C@@H]2CCCC23CCOCC3)n1 ZINC001188659930 1122471079 /nfs/dbraw/zinc/47/10/79/1122471079.db2.gz HAUNJTHNOGYXPQ-NSHDSACASA-N 0 0 269.435 3.832 20 10 CHCDRN Cc1ccc(O)c(CNc2ccc(OC(F)F)cc2)c1 ZINC000071406331 1129060433 /nfs/dbraw/zinc/06/04/33/1129060433.db2.gz UIDATLLFGQSUIW-UHFFFAOYSA-N 0 0 279.286 3.914 20 10 CHCDRN CCc1ccccc1CN(C)c1ccc2c(c1)OCO2 ZINC001192283807 1122637474 /nfs/dbraw/zinc/63/74/74/1122637474.db2.gz TXMVVTNVLKFRFL-UHFFFAOYSA-N 0 0 269.344 3.614 20 10 CHCDRN C[C@H]1CCCC[C@@H]1CN1CCOc2cc(N(C)C)ccc21 ZINC001192939439 1122665616 /nfs/dbraw/zinc/66/56/16/1122665616.db2.gz NADYFIIJAQKSEI-LSDHHAIUSA-N 0 0 288.435 3.778 20 10 CHCDRN CCCC[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001193082441 1122674516 /nfs/dbraw/zinc/67/45/16/1122674516.db2.gz PKTZCYNUMHHODC-KBPBESRZSA-N 0 0 291.439 3.692 20 10 CHCDRN CC(C)Oc1ccc(N(C)C[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001193384009 1122687478 /nfs/dbraw/zinc/68/74/78/1122687478.db2.gz CRGDLEHXMAYTIS-QDMKHBRRSA-N 0 0 259.393 3.956 20 10 CHCDRN CCCC[C@H](CC)COC(=O)NCc1ccccc1O ZINC001193976854 1122733471 /nfs/dbraw/zinc/73/34/71/1122733471.db2.gz RAFTYOVUABRRII-ZDUSSCGKSA-N 0 0 279.380 3.835 20 10 CHCDRN CCCCCCOC(=O)N(C)Cc1ccccc1O ZINC001194175256 1122753802 /nfs/dbraw/zinc/75/38/02/1122753802.db2.gz UZOIHWSBGHXXBL-UHFFFAOYSA-N 0 0 265.353 3.541 20 10 CHCDRN CC(C)(C)COC(=O)NCc1cc2ccccc2cc1O ZINC001194410255 1122773662 /nfs/dbraw/zinc/77/36/62/1122773662.db2.gz WDWSQTCCZUBDGW-UHFFFAOYSA-N 0 0 287.359 3.818 20 10 CHCDRN COc1ccc2c(c1)CCN2Cc1cccc(Cl)c1O ZINC000775630465 1122836677 /nfs/dbraw/zinc/83/66/77/1122836677.db2.gz LMTFICYYRJIYPF-UHFFFAOYSA-N 0 0 289.762 3.617 20 10 CHCDRN CN(C)C(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195254342 1122857788 /nfs/dbraw/zinc/85/77/88/1122857788.db2.gz JIIFULWGTHOPLX-WUKNDPDISA-N 0 0 269.304 3.509 20 10 CHCDRN Cc1occc1C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775660198 1122873181 /nfs/dbraw/zinc/87/31/81/1122873181.db2.gz CWJHYESMIHPYJR-UHFFFAOYSA-N 0 0 283.730 3.718 20 10 CHCDRN CCCN(Cc1cc(Cl)cc(C)c1O)CC(F)F ZINC000775668897 1122883886 /nfs/dbraw/zinc/88/38/86/1122883886.db2.gz LZBAKDXNJKXDHF-UHFFFAOYSA-N 0 0 277.742 3.831 20 10 CHCDRN Nc1ccc(CCc2ccc(Nc3cnoc3)cc2)cc1 ZINC001203240635 1122894377 /nfs/dbraw/zinc/89/43/77/1122894377.db2.gz WKIDTDISLHUKJC-UHFFFAOYSA-N 0 0 279.343 3.786 20 10 CHCDRN CCOc1ccc(N(CC)C[C@@H](OCC)C2CC2)cc1 ZINC001167982241 1122898767 /nfs/dbraw/zinc/89/87/67/1122898767.db2.gz ARFMJRWRFQONFI-QGZVFWFLSA-N 0 0 277.408 3.727 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000775697775 1122912367 /nfs/dbraw/zinc/91/23/67/1122912367.db2.gz GKEULBGRFLSXLR-GHMZBOCLSA-N 0 0 283.774 3.807 20 10 CHCDRN Cc1cc(Cl)cc(C[N@H+]2CCS[C@H](C)[C@@H]2C)c1O ZINC000775702544 1122913319 /nfs/dbraw/zinc/91/33/19/1122913319.db2.gz RZDMJBLKPBJJJA-WDEREUQCSA-N 0 0 285.840 3.680 20 10 CHCDRN Cc1cccc(CNc2ccc(OCC(F)F)cc2)c1O ZINC000775749472 1122938523 /nfs/dbraw/zinc/93/85/23/1122938523.db2.gz RAKLKJRVROCLSM-UHFFFAOYSA-N 0 0 293.313 3.957 20 10 CHCDRN CCOc1ccc(N(CC)C[C@@H](CC(C)C)OC)cc1 ZINC001167984822 1122939055 /nfs/dbraw/zinc/93/90/55/1122939055.db2.gz XDCFWHOPERWPHK-QGZVFWFLSA-N 0 0 279.424 3.973 20 10 CHCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000160202202 1122945433 /nfs/dbraw/zinc/94/54/33/1122945433.db2.gz RVJDREZTZXEXRJ-DOMZBBRYSA-N 0 0 263.356 3.686 20 10 CHCDRN Cc1ccccc1NC(=O)[C@H](C)Sc1nccs1 ZINC000048874544 1122953041 /nfs/dbraw/zinc/95/30/41/1122953041.db2.gz BUGZRXQWUMKHDB-JTQLQIEISA-N 0 0 278.402 3.571 20 10 CHCDRN CCN(C)c1ccc(CN(CC(F)F)C2CCC2)cc1 ZINC001197837335 1122969372 /nfs/dbraw/zinc/96/93/72/1122969372.db2.gz RPEBLJDIKUVXKQ-UHFFFAOYSA-N 0 0 282.378 3.762 20 10 CHCDRN C=CS(=O)(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC001198608932 1123001625 /nfs/dbraw/zinc/00/16/25/1123001625.db2.gz KKRSKOYHIISEKM-FOCLMDBBSA-N 0 0 287.344 3.987 20 10 CHCDRN Cc1cccnc1NCc1cc(Cl)cc(F)c1O ZINC000776025402 1123040382 /nfs/dbraw/zinc/04/03/82/1123040382.db2.gz ZPIAYZGCFRCBJX-UHFFFAOYSA-N 0 0 266.703 3.500 20 10 CHCDRN C[C@@H](COc1ccccc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776065954 1123051967 /nfs/dbraw/zinc/05/19/67/1123051967.db2.gz MFAJVETUEAAFKA-LBPRGKRZSA-N 0 0 291.778 3.603 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2cc3n(n2)CCCC3)cc1 ZINC000844320036 1123054387 /nfs/dbraw/zinc/05/43/87/1123054387.db2.gz GEMSRVIYELGADF-UHFFFAOYSA-N 0 0 299.418 3.643 20 10 CHCDRN COc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1C ZINC000776155095 1123087547 /nfs/dbraw/zinc/08/75/47/1123087547.db2.gz YBDBBATZDHXWFB-UHFFFAOYSA-N 0 0 291.778 3.652 20 10 CHCDRN Cc1cc(C[NH2+]Cc2cccc(Cl)c2[O-])c(C)o1 ZINC000776175095 1123102594 /nfs/dbraw/zinc/10/25/94/1123102594.db2.gz HDSXCAQLPJHOLY-UHFFFAOYSA-N 0 0 265.740 3.545 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc3c(c2)CN(C)C3=O)cc1 ZINC001201497988 1123111265 /nfs/dbraw/zinc/11/12/65/1123111265.db2.gz PJCWOIVPWSEXSE-UHFFFAOYSA-N 0 0 295.386 3.836 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc3nc[nH]c(=O)c3c2)cc1 ZINC001201498237 1123111678 /nfs/dbraw/zinc/11/16/78/1123111678.db2.gz SWIVFWNLCIAXII-UHFFFAOYSA-N 0 0 294.358 3.899 20 10 CHCDRN CC(C)Nc1ccc(Nc2cccc3c2CCNC3=O)cc1 ZINC001201506428 1123113255 /nfs/dbraw/zinc/11/32/55/1123113255.db2.gz YIUXNTATTFLLMY-UHFFFAOYSA-N 0 0 295.386 3.536 20 10 CHCDRN CCCC(C)(C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776239907 1123173531 /nfs/dbraw/zinc/17/35/31/1123173531.db2.gz SDGMTYFXVCGTCV-CYBMUJFWSA-N 0 0 291.439 3.692 20 10 CHCDRN CCOc1cccc(NCc2cc(Cl)cc(F)c2O)n1 ZINC000776250382 1123178860 /nfs/dbraw/zinc/17/88/60/1123178860.db2.gz HSHYMZFAEKUTBG-UHFFFAOYSA-N 0 0 296.729 3.591 20 10 CHCDRN CCc1cnccc1[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776255801 1123187865 /nfs/dbraw/zinc/18/78/65/1123187865.db2.gz JAAAUAVPQACKTI-LLVKDONJSA-N 0 0 290.794 3.854 20 10 CHCDRN CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237622450 1129106176 /nfs/dbraw/zinc/10/61/76/1129106176.db2.gz SCGDTOKYPYXICT-JTQLQIEISA-N 0 0 271.763 3.807 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[C@@H](C)C2)cc1 ZINC000776308126 1123213363 /nfs/dbraw/zinc/21/33/63/1123213363.db2.gz HGYKTYQJRZKSLW-GDBMZVCRSA-N 0 0 288.435 3.585 20 10 CHCDRN CCC[C@H](CC)NC(=O)N(CCC)Cc1ccccc1O ZINC000108929700 1123233500 /nfs/dbraw/zinc/23/35/00/1123233500.db2.gz ASAWXRVEFXYHFG-HNNXBMFYSA-N 0 0 292.423 3.893 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@@H](C)CC ZINC000108929356 1123233879 /nfs/dbraw/zinc/23/38/79/1123233879.db2.gz AVBZCUJUPFXXJH-KBPBESRZSA-N 0 0 292.423 3.748 20 10 CHCDRN CCCCc1nc(CSc2ncc(Cl)s2)no1 ZINC000849999158 1123236059 /nfs/dbraw/zinc/23/60/59/1123236059.db2.gz OSNYOHBRYRQRHX-UHFFFAOYSA-N 0 0 289.813 3.814 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000850391879 1123261949 /nfs/dbraw/zinc/26/19/49/1123261949.db2.gz CHFACQWYRHAXFB-IAZYJMLFSA-N 0 0 272.175 3.587 20 10 CHCDRN C[C@H](N[C@@H](C)c1cc(Cl)ccc1O)c1cscn1 ZINC000850511997 1123279224 /nfs/dbraw/zinc/27/92/24/1123279224.db2.gz SUAQUMIXMYOSGL-IUCAKERBSA-N 0 0 282.796 3.914 20 10 CHCDRN CC[C@@H]([NH2+]CCc1ccoc1)c1cccc(Cl)c1[O-] ZINC000850532222 1123285388 /nfs/dbraw/zinc/28/53/88/1123285388.db2.gz RSSGDANPZXLMCE-CQSZACIVSA-N 0 0 279.767 3.922 20 10 CHCDRN CCC[C@@H](C)CC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000109767912 1123325363 /nfs/dbraw/zinc/32/53/63/1123325363.db2.gz DXJTWCADFGNRLJ-OAHLLOKOSA-N 0 0 290.451 3.927 20 10 CHCDRN COc1ccc(N(Cc2cncs2)CC(C)C)cc1 ZINC000851828826 1123383237 /nfs/dbraw/zinc/38/32/37/1123383237.db2.gz CXQASRHYEKEXFD-UHFFFAOYSA-N 0 0 276.405 3.814 20 10 CHCDRN Nc1ccc(NC(=O)[C@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000852789714 1123416108 /nfs/dbraw/zinc/41/61/08/1123416108.db2.gz DLGAFUYQBYTZRJ-SJORKVTESA-N 0 0 280.371 3.791 20 10 CHCDRN Clc1cnc(Sc2ncnc3c2CCCC3)s1 ZINC000853964065 1123464152 /nfs/dbraw/zinc/46/41/52/1123464152.db2.gz HLGDRGILRSWIAX-UHFFFAOYSA-N 0 0 283.809 3.617 20 10 CHCDRN CCCSC[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000895852376 1123522703 /nfs/dbraw/zinc/52/27/03/1123522703.db2.gz ULPLQFVTEOAOOR-NWDGAFQWSA-N 0 0 253.411 3.575 20 10 CHCDRN CCCCC[C@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000856271614 1123554103 /nfs/dbraw/zinc/55/41/03/1123554103.db2.gz JPYQJZUNBLGFGT-ZDUSSCGKSA-N 0 0 291.391 3.673 20 10 CHCDRN Cc1cccc2c1CCC[C@@H]2NC(=O)C1=CC(=O)CS1 ZINC000856301200 1123556025 /nfs/dbraw/zinc/55/60/25/1123556025.db2.gz GWDGZUQIKXNHDR-AWEZNQCLSA-N 0 0 287.384 3.570 20 10 CHCDRN COc1ccc(O)c(CNc2ccc(C)cc2Cl)c1 ZINC000020471013 1123637477 /nfs/dbraw/zinc/63/74/77/1123637477.db2.gz PNNQWLICNFVUOK-UHFFFAOYSA-N 0 0 277.751 3.975 20 10 CHCDRN CCC[C@@H](C[NH2+][C@H](CC)c1ccc(F)cc1[O-])OCC ZINC000858451086 1123655399 /nfs/dbraw/zinc/65/53/99/1123655399.db2.gz NBXJVCRWLMTJOY-DZGCQCFKSA-N 0 0 283.387 3.777 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cccc(Cl)c1[O-] ZINC000858547690 1123661449 /nfs/dbraw/zinc/66/14/49/1123661449.db2.gz 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/nfs/dbraw/zinc/90/10/62/1123901062.db2.gz QDEVESOEFBURNF-AWEZNQCLSA-N 0 0 285.387 3.603 20 10 CHCDRN CCOc1ccc(N(C)Cc2ccccc2C(=O)OC)cc1 ZINC000864012543 1123908961 /nfs/dbraw/zinc/90/89/61/1123908961.db2.gz VCUMTRUVGGGTRX-UHFFFAOYSA-N 0 0 299.370 3.508 20 10 CHCDRN CCOc1ccc(CNc2ccc(OC)cc2F)c(O)c1 ZINC000864042881 1123912395 /nfs/dbraw/zinc/91/23/95/1123912395.db2.gz YRXXJFYSMSOEEJ-UHFFFAOYSA-N 0 0 291.322 3.551 20 10 CHCDRN CCN1C(=O)/C(=C\c2csc(C)c2C)SC1=S ZINC000864363760 1123925479 /nfs/dbraw/zinc/92/54/79/1123925479.db2.gz UUHCSUROCKESSH-BJMVGYQFSA-N 0 0 283.443 3.586 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNc1nnc(C(C)C)s1 ZINC000301711561 1123926301 /nfs/dbraw/zinc/92/63/01/1123926301.db2.gz DWFIRVVTTQXNEF-UHFFFAOYSA-N 0 0 290.436 3.648 20 10 CHCDRN Clc1cnccc1NCCCSc1nccs1 ZINC000301772709 1123931363 /nfs/dbraw/zinc/93/13/63/1123931363.db2.gz JXZSRTVTWUYOON-UHFFFAOYSA-N 0 0 285.825 3.786 20 10 CHCDRN CCCN(Cc1ccccc1O)c1nc2ccccc2o1 ZINC000301782649 1123932363 /nfs/dbraw/zinc/93/23/63/1123932363.db2.gz TXRNWDZILYHNFI-UHFFFAOYSA-N 0 0 282.343 3.950 20 10 CHCDRN CC/C=C(/F)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000864785690 1123945740 /nfs/dbraw/zinc/94/57/40/1123945740.db2.gz GGGXTMSLMZEHAP-FZSIALSZSA-N 0 0 290.382 3.507 20 10 CHCDRN C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000763648095 1129155088 /nfs/dbraw/zinc/15/50/88/1129155088.db2.gz QEBIJSCWGXKCMX-LLVKDONJSA-N 0 0 265.784 3.810 20 10 CHCDRN CC[C@@H](Nc1ccc(OC)cn1)c1ccc(C)cc1O ZINC000794813194 1123956987 /nfs/dbraw/zinc/95/69/87/1123956987.db2.gz OBMOHCCYKRTYKY-CQSZACIVSA-N 0 0 272.348 3.667 20 10 CHCDRN C[C@@H](Nc1nc2ccccc2[nH]1)c1ccc(N(C)C)cc1 ZINC000302435253 1123968531 /nfs/dbraw/zinc/96/85/31/1123968531.db2.gz QHVWBXZOSCVPQQ-GFCCVEGCSA-N 0 0 280.375 3.802 20 10 CHCDRN CC(C)(C)c1cnc(SCOC2CCOCC2)s1 ZINC000865359604 1123973741 /nfs/dbraw/zinc/97/37/41/1123973741.db2.gz RGMMTBKYRDDWNA-UHFFFAOYSA-N 0 0 287.450 3.686 20 10 CHCDRN C[C@H]1CC2(CCC2)C[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000763648945 1129160220 /nfs/dbraw/zinc/16/02/20/1129160220.db2.gz UACZFSRFPXNJRH-JTQLQIEISA-N 0 0 283.774 3.949 20 10 CHCDRN Cc1cc(C(F)(F)F)nc(N[C@@H](C)c2ccccc2O)n1 ZINC000866237366 1124039266 /nfs/dbraw/zinc/03/92/66/1124039266.db2.gz IPWJDFHBIGAHHS-VIFPVBQESA-N 0 0 297.280 3.683 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCCC12CC2)c1cc(F)cc(F)c1[O-] ZINC000866411695 1124064425 /nfs/dbraw/zinc/06/44/25/1124064425.db2.gz TZIORGXHOOJYHF-ZANVPECISA-N 0 0 267.319 3.654 20 10 CHCDRN C[C@H]([NH2+]CC[C@@H]1CCCS1)c1cc(F)cc(F)c1[O-] ZINC000866479950 1124070834 /nfs/dbraw/zinc/07/08/34/1124070834.db2.gz BCVZVCTXHDEXPG-ONGXEEELSA-N 0 0 287.375 3.607 20 10 CHCDRN COc1ccc(N(Cc2cccnc2)[C@H](C)C2CC2)cc1 ZINC000121195049 1124094420 /nfs/dbraw/zinc/09/44/20/1124094420.db2.gz PPFQRBDQESIPFQ-CQSZACIVSA-N 0 0 282.387 3.895 20 10 CHCDRN CC(C)C[C@@H](C)OC(=O)N[C@H](C)c1ccccc1O ZINC000867834489 1124103779 /nfs/dbraw/zinc/10/37/79/1124103779.db2.gz JQXCAEFNCYEYOX-VXGBXAGGSA-N 0 0 265.353 3.614 20 10 CHCDRN C[C@@H](NC(=O)NC[C@@H](C)c1ccccc1)c1ccccc1O ZINC000868497257 1124473173 /nfs/dbraw/zinc/47/31/73/1124473173.db2.gz UXWNMTLPUPEAJQ-ZIAGYGMSSA-N 0 0 298.386 3.556 20 10 CHCDRN CC(C)(C)Oc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000888557993 1124602162 /nfs/dbraw/zinc/60/21/62/1124602162.db2.gz JCLMKKLGWSGULW-UHFFFAOYSA-N 0 0 291.372 3.883 20 10 CHCDRN C[C@H](CC(=O)N1Cc2cccc(O)c2C1)c1ccccc1F ZINC000871201540 1124602178 /nfs/dbraw/zinc/60/21/78/1124602178.db2.gz WOCFYJKJRCWBBH-GFCCVEGCSA-N 0 0 299.345 3.567 20 10 CHCDRN CC[C@H](C(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1 ZINC000871204430 1124602456 /nfs/dbraw/zinc/60/24/56/1124602456.db2.gz IUXWVKILMOFNNB-HNNXBMFYSA-N 0 0 299.345 3.567 20 10 CHCDRN CCCC[C@H](CC)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871202919 1124602660 /nfs/dbraw/zinc/60/26/60/1124602660.db2.gz PDBXNUPJEDBOPU-ZDUSSCGKSA-N 0 0 275.392 3.841 20 10 CHCDRN C[C@H](CC(=O)N1Cc2cccc(O)c2C1)CC(C)(C)C ZINC000871201159 1124602792 /nfs/dbraw/zinc/60/27/92/1124602792.db2.gz QWSSJPYECRBTGO-GFCCVEGCSA-N 0 0 275.392 3.697 20 10 CHCDRN Cc1cccc(CNc2ccccc2NC(C)C)n1 ZINC000871846161 1124645205 /nfs/dbraw/zinc/64/52/05/1124645205.db2.gz TZSVZMSSEPVZOQ-UHFFFAOYSA-N 0 0 255.365 3.822 20 10 CHCDRN Cc1ncsc1CCNc1ccccc1NC(C)C ZINC000871846145 1124645452 /nfs/dbraw/zinc/64/54/52/1124645452.db2.gz SNRPZTANPZHYHW-UHFFFAOYSA-N 0 0 275.421 3.926 20 10 CHCDRN CCCOc1ccc(C[NH2+][C@H](CC)CCC(=O)[O-])cc1C ZINC000871874854 1124649890 /nfs/dbraw/zinc/64/98/90/1124649890.db2.gz XXCODUZXBWGCGJ-OAHLLOKOSA-N 0 0 293.407 3.517 20 10 CHCDRN CCCOc1ccc(CNCc2nc(C)cs2)cc1C ZINC000873010411 1124734489 /nfs/dbraw/zinc/73/44/89/1124734489.db2.gz GEGGXSAEYPNUAY-UHFFFAOYSA-N 0 0 290.432 3.839 20 10 CHCDRN CN(C)c1ccc(CNc2ccc(F)c(F)c2)cc1 ZINC000019918054 1124771089 /nfs/dbraw/zinc/77/10/89/1124771089.db2.gz BTPVIKNOUREKJZ-UHFFFAOYSA-N 0 0 262.303 3.643 20 10 CHCDRN COCOc1ccc(Nc2ccc(N)cc2)cc1Cl ZINC001215261720 1131298473 /nfs/dbraw/zinc/29/84/73/1131298473.db2.gz KVKSLYJLUKIOBN-UHFFFAOYSA-N 0 0 278.739 3.649 20 10 CHCDRN CCCC[C@H](CC)COC(=O)NCCc1ccc(N)cc1 ZINC001239325282 1131317835 /nfs/dbraw/zinc/31/78/35/1131317835.db2.gz FOFLTMWCEVYUOP-AWEZNQCLSA-N 0 0 292.423 3.754 20 10 CHCDRN Cc1nocc1CSc1ncc(-c2ccccc2)n1C ZINC000821069238 1131318582 /nfs/dbraw/zinc/31/85/82/1131318582.db2.gz FOOYLFHGODVMRE-UHFFFAOYSA-N 0 0 285.372 3.676 20 10 CHCDRN CC(=O)Nc1c(C)ccc(NCc2ccc(C)cc2O)c1C ZINC000876824737 1124982109 /nfs/dbraw/zinc/98/21/09/1124982109.db2.gz SAAUAXCNHJOMFS-UHFFFAOYSA-N 0 0 298.386 3.888 20 10 CHCDRN [O-]c1c(C[NH2+]C2(c3ccccc3)CCC2)ccc(F)c1F ZINC000876990474 1124994648 /nfs/dbraw/zinc/99/46/48/1124994648.db2.gz DSWPFJYZURHDSJ-UHFFFAOYSA-N 0 0 289.325 3.839 20 10 CHCDRN CC[C@H](C)c1cccc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000876992515 1124995404 /nfs/dbraw/zinc/99/54/04/1124995404.db2.gz DXVOTWVJKWABEG-ZDUSSCGKSA-N 0 0 282.387 3.964 20 10 CHCDRN Cc1ccc([C@@H]2C[C@H]2C(=O)N(C)c2ccc(N)cc2)cc1C ZINC000877074681 1125004752 /nfs/dbraw/zinc/00/47/52/1125004752.db2.gz PGDUHRVUOGDFRG-ZWKOTPCHSA-N 0 0 294.398 3.652 20 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3.553 20 10 CHCDRN C[C@H](NC(=O)Nc1cc(C2CC2)ccn1)c1ccccc1O ZINC000879612047 1125221450 /nfs/dbraw/zinc/22/14/50/1125221450.db2.gz WIYJYUMULDTPHG-NSHDSACASA-N 0 0 297.358 3.547 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C1CCC1 ZINC000128189193 1125249086 /nfs/dbraw/zinc/24/90/86/1125249086.db2.gz ULRGPNBGCXLXNN-CYBMUJFWSA-N 0 0 290.407 3.502 20 10 CHCDRN C[C@@H](NC(=O)[C@@H]1C[C@]1(C)c1ccccc1)c1ccccc1O ZINC000881441263 1125311326 /nfs/dbraw/zinc/31/13/26/1125311326.db2.gz VOMBPEOTYOSRDH-ACWOFJMJSA-N 0 0 295.382 3.547 20 10 CHCDRN CC(C)c1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000130444437 1125360930 /nfs/dbraw/zinc/36/09/30/1125360930.db2.gz RNMAMPOJXZZQED-UHFFFAOYSA-N 0 0 253.305 3.651 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000882935236 1125362924 /nfs/dbraw/zinc/36/29/24/1125362924.db2.gz JYWRCRADULQJHZ-OAHLLOKOSA-N 0 0 293.288 3.587 20 10 CHCDRN CC[C@](C)([NH2+]Cc1cc(F)cc(F)c1[O-])c1nccs1 ZINC000883016374 1125368015 /nfs/dbraw/zinc/36/80/15/1125368015.db2.gz XLQASBOXPZGNPN-AWEZNQCLSA-N 0 0 298.358 3.542 20 10 CHCDRN CCCCn1ncc(NCc2cc(F)cc(F)c2O)c1C ZINC000883082449 1125370490 /nfs/dbraw/zinc/37/04/90/1125370490.db2.gz HBIFJSDQEFCENO-UHFFFAOYSA-N 0 0 295.333 3.588 20 10 CHCDRN Oc1c(F)cc(F)cc1CNc1cc(C2CC2)ccn1 ZINC000883122901 1125372893 /nfs/dbraw/zinc/37/28/93/1125372893.db2.gz DNEAFISWKFMRAQ-UHFFFAOYSA-N 0 0 276.286 3.555 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1cccc(Cl)c1[O-] ZINC000883272313 1125390199 /nfs/dbraw/zinc/39/01/99/1125390199.db2.gz JOVANAYQGRMZOX-JTNHKYCSSA-N 0 0 283.799 3.511 20 10 CHCDRN Cc1cc(N[C@H]2CCc3cccc(O)c32)cnc1C ZINC000883342867 1125398731 /nfs/dbraw/zinc/39/87/31/1125398731.db2.gz OVYFIPUZNJXQDW-AWEZNQCLSA-N 0 0 254.333 3.503 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])[C@@H]1CCCOC1 ZINC000883353265 1125400460 /nfs/dbraw/zinc/40/04/60/1125400460.db2.gz RITPTOCDEFLHSU-RWSFTLGLSA-N 0 0 299.361 3.526 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1ccc(F)cc1[O-] ZINC000883365509 1125402132 /nfs/dbraw/zinc/40/21/32/1125402132.db2.gz BVGCNCACEGNHKC-UAGQMJEPSA-N 0 0 293.382 3.674 20 10 CHCDRN O[C@H](CCOc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000795214854 1129192072 /nfs/dbraw/zinc/19/20/72/1129192072.db2.gz MNAKPOSPWYRYRT-LJQANCHMSA-N 0 0 297.398 3.789 20 10 CHCDRN Cc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@@H](c3ccccc3)C2)c1 ZINC000245555006 1129211817 /nfs/dbraw/zinc/21/18/17/1129211817.db2.gz HVCFHJHLHWILHV-DNVCBOLYSA-N 0 0 297.398 3.663 20 10 CHCDRN C[C@H](Sc1ncc(Cl)s1)C(=O)OC(C)(C)C ZINC000795308199 1129216914 /nfs/dbraw/zinc/21/69/14/1129216914.db2.gz BALDXMAFKZBEOM-LURJTMIESA-N 0 0 279.814 3.619 20 10 CHCDRN COCCOc1ccc(N[C@H]2CCc3cccc(O)c32)cc1 ZINC000297085795 1129224632 /nfs/dbraw/zinc/22/46/32/1129224632.db2.gz WYNHKYYRANIDLS-INIZCTEOSA-N 0 0 299.370 3.517 20 10 CHCDRN C/C=C/C=C/C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000733805396 1129270939 /nfs/dbraw/zinc/27/09/39/1129270939.db2.gz SWNLUROMLUAGIU-JAFPNSLJSA-N 0 0 298.430 3.768 20 10 CHCDRN CCOc1ccc(N(CC)CCc2cccnc2)cc1 ZINC000734146764 1129296824 /nfs/dbraw/zinc/29/68/24/1129296824.db2.gz ILPFCUJRYULCNM-UHFFFAOYSA-N 0 0 270.376 3.549 20 10 CHCDRN COc1cc(F)ccc1NCc1ccc(N(C)C)c(F)c1 ZINC000734158756 1129297244 /nfs/dbraw/zinc/29/72/44/1129297244.db2.gz UBZDSWBFQCHTGV-UHFFFAOYSA-N 0 0 292.329 3.652 20 10 CHCDRN COc1ccc(N(CCc2cccnc2)C(C)C)cc1F ZINC000734147947 1129297396 /nfs/dbraw/zinc/29/73/96/1129297396.db2.gz WGSJCACDGWRIKM-UHFFFAOYSA-N 0 0 288.366 3.687 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNC(=S)Nc1ccccc1 ZINC000734386061 1129306368 /nfs/dbraw/zinc/30/63/68/1129306368.db2.gz QXTJQZNKZNUELX-UHFFFAOYSA-N 0 0 299.443 3.548 20 10 CHCDRN Cc1cccc([C@@H](C)NC(=O)C2=CC(=O)CS2)c1C ZINC000734558109 1129313464 /nfs/dbraw/zinc/31/34/64/1129313464.db2.gz OVYDEXIMLVJJKI-LLVKDONJSA-N 0 0 275.373 3.562 20 10 CHCDRN Cc1cc(NCc2ccc(N(C)C)cc2C)nc(C2CC2)n1 ZINC000734833178 1129323946 /nfs/dbraw/zinc/32/39/46/1129323946.db2.gz GQGWQOZZAWHTOH-UHFFFAOYSA-N 0 0 296.418 3.649 20 10 CHCDRN COc1ccc(N[C@H](C)c2cc(F)ccc2O)cc1F ZINC000094617084 1129448051 /nfs/dbraw/zinc/44/80/51/1129448051.db2.gz IGDPVDVMAOVFOV-SECBINFHSA-N 0 0 279.286 3.852 20 10 CHCDRN COc1cc(F)ccc1N[C@@H](C)c1cc(F)ccc1O ZINC000094617925 1129448302 /nfs/dbraw/zinc/44/83/02/1129448302.db2.gz IZKYLKZAUZKVHF-VIFPVBQESA-N 0 0 279.286 3.852 20 10 CHCDRN CC(=O)Nc1cccc(N[C@@H](C)c2cc(F)ccc2O)c1 ZINC000094616675 1129448303 /nfs/dbraw/zinc/44/83/03/1129448303.db2.gz FCJNUEJXBODXPY-JTQLQIEISA-N 0 0 288.322 3.663 20 10 CHCDRN CC(C)c1nc(CN2CCc3cccc(O)c3C2)cs1 ZINC001138887666 1129451152 /nfs/dbraw/zinc/45/11/52/1129451152.db2.gz MOKYYPBBTRQADU-UHFFFAOYSA-N 0 0 288.416 3.530 20 10 CHCDRN CCCCCC[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000741890547 1129458062 /nfs/dbraw/zinc/45/80/62/1129458062.db2.gz WUBXZKVLIQVGCV-OAHLLOKOSA-N 0 0 290.451 3.975 20 10 CHCDRN CCSc1ccccc1C(=O)N1C[C@H](C)S[C@@H](C)C1 ZINC000742767663 1129498781 /nfs/dbraw/zinc/49/87/81/1129498781.db2.gz OZMREVSMFYSPJX-RYUDHWBXSA-N 0 0 295.473 3.765 20 10 CHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCC1CC1 ZINC000742775998 1129500617 /nfs/dbraw/zinc/50/06/17/1129500617.db2.gz KBDQEAUJRWAWEI-UHFFFAOYSA-N 0 0 288.416 3.686 20 10 CHCDRN Cn1cc(-c2ccc3ccc(=O)n(C)c3c2)c2ccccc21 ZINC001239546557 1131378472 /nfs/dbraw/zinc/37/84/72/1131378472.db2.gz PCSMTSYYOYDZRI-UHFFFAOYSA-N 0 0 288.350 3.697 20 10 CHCDRN C[N@H+](Cc1cccc(Br)c1[O-])C1(C)CCCC1 ZINC000720385449 1129524348 /nfs/dbraw/zinc/52/43/48/1129524348.db2.gz BKFGRBHKNFMWMC-UHFFFAOYSA-N 0 0 298.224 3.919 20 10 CHCDRN Cc1ccccc1[C@H](NC(=O)C1=CC(=O)CS1)C(C)C ZINC000743444581 1129524738 /nfs/dbraw/zinc/52/47/38/1129524738.db2.gz PSRDKTXPNWMIFO-OAHLLOKOSA-N 0 0 289.400 3.889 20 10 CHCDRN CC(C)[C@H](NC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000743584346 1129530944 /nfs/dbraw/zinc/53/09/44/1129530944.db2.gz QRRPMHMUQAAWDY-AWEZNQCLSA-N 0 0 275.373 3.581 20 10 CHCDRN COc1ncc(-c2cccc3c2cc(C)n3C)s1 ZINC001241415790 1129536264 /nfs/dbraw/zinc/53/62/64/1129536264.db2.gz JPBUSXAQLVPITL-UHFFFAOYSA-N 0 0 258.346 3.619 20 10 CHCDRN CCOc1cc(Nc2cccc(O)c2O)ccc1Cl ZINC001212579826 1129656544 /nfs/dbraw/zinc/65/65/44/1129656544.db2.gz DDXRMPNYIRUBFD-UHFFFAOYSA-N 0 0 279.723 3.894 20 10 CHCDRN CO[C@@H](CN(C)c1ccc(OC(C)C)cc1)C1CCC1 ZINC001169253520 1129713070 /nfs/dbraw/zinc/71/30/70/1129713070.db2.gz WDVYDRNIGLDQNN-KRWDZBQOSA-N 0 0 277.408 3.725 20 10 CHCDRN CNc1ccccc1NCc1c(=O)[nH]c(C)c2c1CCCC2 ZINC001169404620 1129723731 /nfs/dbraw/zinc/72/37/31/1129723731.db2.gz VJTBGVYWYWTRKH-UHFFFAOYSA-N 0 0 297.402 3.628 20 10 CHCDRN COc1ccc(N(CCC(C)C)CC2(C)COC2)cc1 ZINC000796505069 1129765287 /nfs/dbraw/zinc/76/52/87/1129765287.db2.gz PRVZOWOUCOAGEA-UHFFFAOYSA-N 0 0 277.408 3.584 20 10 CHCDRN Cc1sccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000828860762 1131403072 /nfs/dbraw/zinc/40/30/72/1131403072.db2.gz GXNVUINTYJYRCK-NSHDSACASA-N 0 0 288.416 3.614 20 10 CHCDRN CC[C@@H]1CCC[C@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000828861125 1131403938 /nfs/dbraw/zinc/40/39/38/1131403938.db2.gz LUBXRUKRFMOTCS-CKEIUWERSA-N 0 0 288.435 3.756 20 10 CHCDRN Cc1csc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000828863096 1131403998 /nfs/dbraw/zinc/40/39/98/1131403998.db2.gz ZIBIORUDTFTXDT-LBPRGKRZSA-N 0 0 288.416 3.614 20 10 CHCDRN CN(C)c1ccc(CN2CCCC[C@H]2C(F)F)cc1F ZINC000800533891 1129882444 /nfs/dbraw/zinc/88/24/44/1129882444.db2.gz UDZJGOYYKUXYMY-AWEZNQCLSA-N 0 0 286.341 3.511 20 10 CHCDRN Cc1cc(O)c(CN2CCCC[C@H]2C(F)F)cc1C ZINC000800533177 1129882816 /nfs/dbraw/zinc/88/28/16/1129882816.db2.gz JCGGYZMCWVPOJW-ZDUSSCGKSA-N 0 0 269.335 3.629 20 10 CHCDRN Cc1cc(O)c(CNc2ccc(N3CCCC3)cn2)cc1C ZINC000769378157 1129904888 /nfs/dbraw/zinc/90/48/88/1129904888.db2.gz ROPFDULIAZLTGQ-UHFFFAOYSA-N 0 0 297.402 3.616 20 10 CHCDRN C[C@@H](NCc1csc(Cl)n1)c1ccc(N(C)C)cc1 ZINC000828959702 1131407572 /nfs/dbraw/zinc/40/75/72/1131407572.db2.gz PHBLTCDBBYUMPK-SNVBAGLBSA-N 0 0 295.839 3.713 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](F)C(C)C ZINC000801546411 1129926064 /nfs/dbraw/zinc/92/60/64/1129926064.db2.gz OQNLVGNZYFEBFV-OAHLLOKOSA-N 0 0 281.371 3.515 20 10 CHCDRN CCc1cccc(CNc2ccc3c(c2)COC3)c1O ZINC000691474494 1129929053 /nfs/dbraw/zinc/92/90/53/1129929053.db2.gz QCPRWTKYKRBQML-UHFFFAOYSA-N 0 0 269.344 3.597 20 10 CHCDRN Oc1cccc(Cl)c1CN(CC(F)F)CC1CCC1 ZINC000770291031 1129943724 /nfs/dbraw/zinc/94/37/24/1129943724.db2.gz GNZNQTRITIPABY-UHFFFAOYSA-N 0 0 289.753 3.913 20 10 CHCDRN CCCN(Cc1ccccc1O)c1ncnc2ccsc21 ZINC000770468247 1129948337 /nfs/dbraw/zinc/94/83/37/1129948337.db2.gz INRFFVMWXWVGIY-UHFFFAOYSA-N 0 0 299.399 3.814 20 10 CHCDRN COc1c(F)cc(F)cc1NCc1cc(C)c(C)cc1O ZINC000770562296 1129952933 /nfs/dbraw/zinc/95/29/33/1129952933.db2.gz AVLZDGQUDSLDGH-UHFFFAOYSA-N 0 0 293.313 3.908 20 10 CHCDRN CN(C)c1ccc(C[N@@H+]2CC[C@@H]2c2ccccc2)cc1F ZINC000771939270 1129996860 /nfs/dbraw/zinc/99/68/60/1129996860.db2.gz PGZLXLTYUVFWND-QGZVFWFLSA-N 0 0 284.378 3.839 20 10 CHCDRN Oc1c(F)cc(F)cc1CNc1cccnc1C1CC1 ZINC000902289407 1129997477 /nfs/dbraw/zinc/99/74/77/1129997477.db2.gz DFBVBJNRYBXUMK-UHFFFAOYSA-N 0 0 276.286 3.555 20 10 CHCDRN Cc1cncc(/C=C/C(=O)N(C)c2ccc(C)c(C)c2)c1 ZINC000772067976 1130004051 /nfs/dbraw/zinc/00/40/51/1130004051.db2.gz MLZBGYICQUQUDE-SOFGYWHQSA-N 0 0 280.371 3.683 20 10 CHCDRN Cc1cncc(/C=C/C(=O)N2CCCc3c(C)cccc32)c1 ZINC000772135197 1130005470 /nfs/dbraw/zinc/00/54/70/1130005470.db2.gz AGBLHXVMQMUDDF-CMDGGOBGSA-N 0 0 292.382 3.691 20 10 CHCDRN Cc1cncc(/C=C\C(=O)N2CCCc3c(F)cccc32)c1 ZINC000772159083 1130007652 /nfs/dbraw/zinc/00/76/52/1130007652.db2.gz MBRQTABIVJTZLY-FPLPWBNLSA-N 0 0 296.345 3.522 20 10 CHCDRN Cc1nc2[nH]ccc2c(N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000772296265 1130016141 /nfs/dbraw/zinc/01/61/41/1130016141.db2.gz JPPFIJQOLMRQCW-NSHDSACASA-N 0 0 295.390 3.505 20 10 CHCDRN C[C@@H](Nc1ccc([N+](=O)[O-])s1)c1ccc(N(C)C)cc1 ZINC000772298796 1130016438 /nfs/dbraw/zinc/01/64/38/1130016438.db2.gz SJBXFMVKGKOHJF-SNVBAGLBSA-N 0 0 291.376 3.895 20 10 CHCDRN COc1ccc2c(c1)CCN2Cc1cnc2ccccc2c1 ZINC000772598240 1130032909 /nfs/dbraw/zinc/03/29/09/1130032909.db2.gz JUGZEUIYGUTOMK-UHFFFAOYSA-N 0 0 290.366 3.806 20 10 CHCDRN CN(C)c1ccc(CN2CCCOc3ccccc32)cc1 ZINC000785752440 1130053829 /nfs/dbraw/zinc/05/38/29/1130053829.db2.gz LWMOUBFNUGXBKF-UHFFFAOYSA-N 0 0 282.387 3.542 20 10 CHCDRN Cc1ccc(O)c(CNc2ccc(-c3ccccc3)nn2)c1 ZINC000802759864 1130036713 /nfs/dbraw/zinc/03/67/13/1130036713.db2.gz STBCQECLKRRISE-UHFFFAOYSA-N 0 0 291.354 3.770 20 10 CHCDRN COc1ncccc1CN(C)c1ccc(OC(C)C)cc1 ZINC000785831085 1130058051 /nfs/dbraw/zinc/05/80/51/1130058051.db2.gz LRSSZZZPAIPENS-UHFFFAOYSA-N 0 0 286.375 3.514 20 10 CHCDRN C[C@H]([NH2+]CC1C[C@H]2CC[C@@H](C1)S2)c1c([O-])cccc1F ZINC000903156101 1130120412 /nfs/dbraw/zinc/12/04/12/1130120412.db2.gz BTIVIAFDEQYYRM-WODVXLOZSA-N 0 0 295.423 3.856 20 10 CHCDRN CC[C@H](N[C@H](C)c1ccc(F)cc1O)C(F)(F)F ZINC000786972650 1130123035 /nfs/dbraw/zinc/12/30/35/1130123035.db2.gz FLFUWARFLUOMAF-HQJQHLMTSA-N 0 0 265.250 3.523 20 10 CHCDRN CC(C)[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(F)(F)F ZINC000786980483 1130124528 /nfs/dbraw/zinc/12/45/28/1130124528.db2.gz BJQRYXYREGKVOX-FZMZJTMJSA-N 0 0 288.357 3.990 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(-c2ccc(N)nc2F)cc1 ZINC001239823825 1130125506 /nfs/dbraw/zinc/12/55/06/1130125506.db2.gz YWLLKMSVQCBFTB-UHFFFAOYSA-N 0 0 281.334 3.877 20 10 CHCDRN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2)c1c([O-])cccc1F ZINC000903274049 1130142733 /nfs/dbraw/zinc/14/27/33/1130142733.db2.gz PJLJRWOEDXBFFD-WAAKLRNESA-N 0 0 281.396 3.609 20 10 CHCDRN C[C@H](N[C@H]1c2ccccc2OC[C@@H]1F)c1ccccc1O ZINC000903271359 1130143021 /nfs/dbraw/zinc/14/30/21/1130143021.db2.gz IJVHXEBYZLSFBF-YLVFBTJISA-N 0 0 287.334 3.515 20 10 CHCDRN CN(Cc1ccc2cnccc2c1)c1ccc2c(c1)OCO2 ZINC000787272432 1130143245 /nfs/dbraw/zinc/14/32/45/1130143245.db2.gz QTFYXSSXAQSSIK-UHFFFAOYSA-N 0 0 292.338 3.600 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCSC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000903284942 1130145737 /nfs/dbraw/zinc/14/57/37/1130145737.db2.gz VEHKCTSGOYJCOD-PWSUYJOCSA-N 0 0 283.412 3.856 20 10 CHCDRN CC[C@H](NCc1cc(Cl)cc(C)c1O)C(F)(F)F ZINC000787439595 1130150188 /nfs/dbraw/zinc/15/01/88/1130150188.db2.gz 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281.359 3.508 20 10 CHCDRN Cc1cc2c(cc1NCc1c(O)cccc1Cl)OCO2 ZINC000781532246 1130723547 /nfs/dbraw/zinc/72/35/47/1130723547.db2.gz MSRNIMJBYBJKHJ-UHFFFAOYSA-N 0 0 291.734 3.695 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[N@@H+](C)[C@@H](C)C2CC2)c1 ZINC000781897126 1130747221 /nfs/dbraw/zinc/74/72/21/1130747221.db2.gz OPTWUTAMSFHTIY-JTQLQIEISA-N 0 0 298.224 3.693 20 10 CHCDRN CC1(C)CC[C@@H](C(=O)NCCCSc2nccs2)C1 ZINC000781975131 1130751565 /nfs/dbraw/zinc/75/15/65/1130751565.db2.gz QATFXPFVNNTZFA-LLVKDONJSA-N 0 0 298.477 3.568 20 10 CHCDRN C[C@H](NC(=O)[C@H]1[C@@H](C)[C@@H]1c1ccccc1)c1ccccc1O ZINC000827963813 1130754477 /nfs/dbraw/zinc/75/44/77/1130754477.db2.gz BBGWVJRHGWTNLO-UHIXZJCNSA-N 0 0 295.382 3.619 20 10 CHCDRN CC[C@@H](CC(F)(F)F)C(=O)N[C@@H](C)c1ccccc1O ZINC000827964353 1130781947 /nfs/dbraw/zinc/78/19/47/1130781947.db2.gz LOXIRWOUPQBVOI-UWVGGRQHSA-N 0 0 289.297 3.548 20 10 CHCDRN Cc1c(C(=O)N[C@@H](C)c2ccccc2O)ccn1C(C)C ZINC000827964192 1130782881 /nfs/dbraw/zinc/78/28/81/1130782881.db2.gz 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254.333 3.533 20 10 CHCDRN C[C@H](Nc1ccc2c(c1)CCN2)c1cc(F)ccc1O ZINC000817950745 1131189638 /nfs/dbraw/zinc/18/96/38/1131189638.db2.gz YLMXIDMMANHBCK-JTQLQIEISA-N 0 0 272.323 3.672 20 10 CHCDRN CCCC[C@H](CN)[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000817963700 1131192369 /nfs/dbraw/zinc/19/23/69/1131192369.db2.gz XENVGSXPEBFCAN-BXUZGUMPSA-N 0 0 284.831 3.604 20 10 CHCDRN CC[C@H]([NH2+]Cc1cc(C)cc(N)c1)c1ccc(F)cc1[O-] ZINC000817980395 1131194952 /nfs/dbraw/zinc/19/49/52/1131194952.db2.gz LBXRVKMADKWTAP-INIZCTEOSA-N 0 0 288.366 3.663 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](CN)C1CCCC1)c1cccc(Cl)c1[O-] ZINC000817982097 1131195216 /nfs/dbraw/zinc/19/52/16/1131195216.db2.gz POQCJPWVQCGJFI-CABCVRRESA-N 0 0 296.842 3.604 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CC12CC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000818357196 1131211246 /nfs/dbraw/zinc/21/12/46/1131211246.db2.gz WNCHDVCOVFOETF-JVXZTZIISA-N 0 0 272.175 3.902 20 10 CHCDRN C[C@H](CCC(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000818544954 1131216100 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C[C@@H](NC(=O)[C@@H]1CC[C@@H](C)CC1)c1ccc(N(C)C)cc1 ZINC000844483947 1131567337 /nfs/dbraw/zinc/56/73/37/1131567337.db2.gz AEGVCHNJYIPANJ-IIAWOOMASA-N 0 0 288.435 3.756 20 10 CHCDRN CCc1cccc(NC(=O)NCc2cccc(C)c2O)c1 ZINC001202893943 1131581323 /nfs/dbraw/zinc/58/13/23/1131581323.db2.gz USVJNSGXHKXURN-UHFFFAOYSA-N 0 0 284.359 3.585 20 10 CHCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCCC(F)(F)C2)c1 ZINC000844715360 1131593447 /nfs/dbraw/zinc/59/34/47/1131593447.db2.gz IEPPCHWIGDKZTK-UHFFFAOYSA-N 0 0 299.361 3.626 20 10 CHCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001139683259 1131628125 /nfs/dbraw/zinc/62/81/25/1131628125.db2.gz JSNZPKZHOJXLOZ-ZDUSSCGKSA-N 0 0 289.325 3.660 20 10 CHCDRN C[N@H+](Cc1c(F)ccc(F)c1[O-])[C@H]1CCc2ccccc21 ZINC001139690197 1131629234 /nfs/dbraw/zinc/62/92/34/1131629234.db2.gz SPHPSIHOSGSSJE-INIZCTEOSA-N 0 0 289.325 3.790 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H]2C2CC2)cc1 ZINC000833689923 1131638288 /nfs/dbraw/zinc/63/82/88/1131638288.db2.gz DOQRWAWZWGGWCI-SFHVURJKSA-N 0 0 294.398 3.719 20 10 CHCDRN Cc1ccc(C)c(C[N@@H+]2CCc3cc(F)ccc3C2)c1O ZINC001140184401 1131674627 /nfs/dbraw/zinc/67/46/27/1131674627.db2.gz RUTCCXLCOFSBCB-UHFFFAOYSA-N 0 0 285.362 3.706 20 10 CHCDRN CCOc1ccc(N[C@H](C)c2cccc(OC)c2O)cc1 ZINC000846159855 1131691974 /nfs/dbraw/zinc/69/19/74/1131691974.db2.gz RIBRLDSLWUVGTD-GFCCVEGCSA-N 0 0 287.359 3.973 20 10 CHCDRN COc1cccc([C@H](C)Nc2ccc3c(c2)CCO3)c1O ZINC000846162236 1131692811 /nfs/dbraw/zinc/69/28/11/1131692811.db2.gz JUYIDXQWOOIVGD-NSHDSACASA-N 0 0 285.343 3.509 20 10 CHCDRN COc1cccc([C@H](C)Nc2ccc3c(c2)CCCO3)c1O ZINC000846162526 1131692982 /nfs/dbraw/zinc/69/29/82/1131692982.db2.gz LMJYTDQXVGUDHB-LBPRGKRZSA-N 0 0 299.370 3.899 20 10 CHCDRN COc1cccc([C@H](C)Nc2cccc(OC)c2F)c1O ZINC000846165671 1131693205 /nfs/dbraw/zinc/69/32/05/1131693205.db2.gz XHCJYCBQWFNIPR-JTQLQIEISA-N 0 0 291.322 3.722 20 10 CHCDRN C[C@@H]([NH2+]C1(C2CCC2)CC1)c1cc(F)cc(F)c1[O-] ZINC000846206531 1131695876 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C[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)c1cc(F)cc(F)c1[O-] ZINC000834885099 1131718724 /nfs/dbraw/zinc/71/87/24/1131718724.db2.gz GOKYEAMWRHELQP-BDAKNGLRSA-N 0 0 291.288 3.756 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cccc(Cl)c1[O-] ZINC000834899495 1131723042 /nfs/dbraw/zinc/72/30/42/1131723042.db2.gz HWTFUUIBJQJJMA-NILFDRSVSA-N 0 0 297.826 3.637 20 10 CHCDRN CC[C@H]([NH2+]CCC[C@@H]1CCOC1)c1cccc(Cl)c1[O-] ZINC000834903050 1131726886 /nfs/dbraw/zinc/72/68/86/1131726886.db2.gz INGBVEYPLOJREA-DOMZBBRYSA-N 0 0 297.826 3.903 20 10 CHCDRN COCC1(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CCCC1 ZINC000834906997 1131730207 /nfs/dbraw/zinc/73/02/07/1131730207.db2.gz VPHVLYKLTGBJTF-LLVKDONJSA-N 0 0 299.361 3.528 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cc(F)cc(F)c1[O-] ZINC000834909253 1131730961 /nfs/dbraw/zinc/73/09/61/1131730961.db2.gz KDVPEFFCVQXUJV-WDEREUQCSA-N 0 0 299.361 3.526 20 10 CHCDRN CN(CCCn1ccnc1)c1ccc(-c2nccs2)cc1 ZINC000846753037 1131731911 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CC(C)C1([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841756762 1132393386 /nfs/dbraw/zinc/39/33/86/1132393386.db2.gz KAQKSVKFBKTRCO-SNVBAGLBSA-N 0 0 253.773 3.885 20 10 CHCDRN CSCCCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841757687 1132393750 /nfs/dbraw/zinc/39/37/50/1132393750.db2.gz FENMFTMVGXNUOL-SNVBAGLBSA-N 0 0 273.829 3.839 20 10 CHCDRN CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCO1 ZINC000841759617 1132395035 /nfs/dbraw/zinc/39/50/35/1132395035.db2.gz OOZUXNHEQUWSGZ-DETPVDSQSA-N 0 0 297.826 3.900 20 10 CHCDRN CSCC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841761909 1132395597 /nfs/dbraw/zinc/39/55/97/1132395597.db2.gz HRWJXQBKMDLJPX-NXEZZACHSA-N 0 0 273.829 3.838 20 10 CHCDRN CCC[N@H+](Cc1cc(F)c(F)cc1[O-])[C@H](C)CC ZINC001142502877 1132401864 /nfs/dbraw/zinc/40/18/64/1132401864.db2.gz YZKSFZZLUXOMSR-SNVBAGLBSA-N 0 0 257.324 3.681 20 10 CHCDRN CCC[N@H+](Cc1cc(F)c(F)cc1[O-])[C@@H](C)CC ZINC001142502875 1132401961 /nfs/dbraw/zinc/40/19/61/1132401961.db2.gz 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CHCDRN Oc1ccc(F)cc1CNCC(F)(F)c1ccc(F)cc1 ZINC001206787235 1133748459 /nfs/dbraw/zinc/74/84/59/1133748459.db2.gz DGXWKWDSDFAFAP-UHFFFAOYSA-N 0 0 299.267 3.552 20 10 CHCDRN Cc1cnc(Cl)cc1Nc1ccc2c(c1)OCCN2 ZINC001209714122 1134052801 /nfs/dbraw/zinc/05/28/01/1134052801.db2.gz PAFNXYAWMPYUTJ-UHFFFAOYSA-N 0 0 275.739 3.591 20 10 CHCDRN COc1cc(C)cc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209767950 1134062717 /nfs/dbraw/zinc/06/27/17/1134062717.db2.gz TXUKLSIMYUDLNI-UHFFFAOYSA-N 0 0 270.332 3.552 20 10 CHCDRN COc1cc(Nc2ccc3c(c2)OCCN3)ccc1Cl ZINC001209768377 1134063085 /nfs/dbraw/zinc/06/30/85/1134063085.db2.gz YZSHWWZCOIWXRZ-UHFFFAOYSA-N 0 0 290.750 3.897 20 10 CHCDRN Fc1cnc2cccc(Nc3ccc4c(c3)OCCN4)c2c1 ZINC001209790303 1134064578 /nfs/dbraw/zinc/06/45/78/1134064578.db2.gz ZBPZARWCWBWAOU-UHFFFAOYSA-N 0 0 295.317 3.922 20 10 CHCDRN Oc1cc(Cl)cc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209789559 1134064923 /nfs/dbraw/zinc/06/49/23/1134064923.db2.gz ZNRSVRRUFRDBSE-UHFFFAOYSA-N 0 0 276.723 3.594 20 10 CHCDRN 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COc1cc(C)c(N[C@@H](C)c2ccccc2O)cc1OC ZINC000037056878 522216885 /nfs/dbraw/zinc/21/68/85/522216885.db2.gz SFQATBLQNUXHKD-LBPRGKRZSA-N 0 0 287.359 3.891 20 10 CHCDRN CC[C@@H](C)NC(=O)c1ccc(NCc2ccccc2O)cc1 ZINC000280645516 522218748 /nfs/dbraw/zinc/21/87/48/522218748.db2.gz JDLXPERNXBZERS-CYBMUJFWSA-N 0 0 298.386 3.533 20 10 CHCDRN CN(C)c1ccc(OCc2ncc(C(C)(C)C)o2)cc1 ZINC000277750747 522238062 /nfs/dbraw/zinc/23/80/62/522238062.db2.gz JEWRPKFUEVNAAA-UHFFFAOYSA-N 0 0 274.364 3.617 20 10 CHCDRN CC[C@@H](CC(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000236923458 522476144 /nfs/dbraw/zinc/47/61/44/522476144.db2.gz PLMLCLGGIWPCJY-INIZCTEOSA-N 0 0 296.414 3.511 20 10 CHCDRN COCCOc1ccc(N[C@@H](C)c2ccccc2O)cc1 ZINC000037106224 524050167 /nfs/dbraw/zinc/05/01/67/524050167.db2.gz VGDMMQXSGZOHBT-ZDUSSCGKSA-N 0 0 287.359 3.591 20 10 CHCDRN COc1ccc(N(Cc2nccs2)C(C)C)cc1F ZINC000135179712 524370025 /nfs/dbraw/zinc/37/00/25/524370025.db2.gz NHZMSIBVCDGEDT-UHFFFAOYSA-N 0 0 280.368 3.706 20 10 CHCDRN 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298.390 3.779 20 10 CHCDRN C[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)C(C)(C)C ZINC000265292129 526080681 /nfs/dbraw/zinc/08/06/81/526080681.db2.gz ZYASDCQXSQGUKP-CQSZACIVSA-N 0 0 288.435 3.585 20 10 CHCDRN Cc1cc(C(=O)CSc2nccs2)c(C)s1 ZINC000040677253 526214499 /nfs/dbraw/zinc/21/44/99/526214499.db2.gz GLIOLFDDOUYENN-UHFFFAOYSA-N 0 0 269.416 3.796 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000289699424 526326537 /nfs/dbraw/zinc/32/65/37/526326537.db2.gz FYMGTIRQDLTLAE-HNNXBMFYSA-N 0 0 288.778 3.778 20 10 CHCDRN Cc1nc(C)c(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])s1 ZINC000276986689 526724710 /nfs/dbraw/zinc/72/47/10/526724710.db2.gz WRUCKRAOWUHRSE-SSDOTTSWSA-N 0 0 298.358 3.595 20 10 CHCDRN O=C1/C(=C\c2ccsc2)SC(=S)N1C1CCC1 ZINC000292330058 526947987 /nfs/dbraw/zinc/94/79/87/526947987.db2.gz NGKYJBJTMRYXBL-UXBLZVDNSA-N 0 0 281.427 3.502 20 10 CHCDRN CCC[N@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)C1CC1 ZINC000737019664 600078241 /nfs/dbraw/zinc/07/82/41/600078241.db2.gz HUIIRMOVBKGZBM-UHFFFAOYSA-N 0 0 299.370 3.618 20 10 CHCDRN C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)c1cc(C(=O)[O-])ccc1O ZINC001593210599 994251189 /nfs/dbraw/zinc/25/11/89/994251189.db2.gz QMFMJSKQFWYQBM-QFWMXSHPSA-N 0 0 291.391 3.566 20 10 CHCDRN CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000312436626 1120411008 /nfs/dbraw/zinc/41/10/08/1120411008.db2.gz BDJZZGRKKWHRJU-GFCCVEGCSA-N 0 0 291.288 3.694 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1CC2(CCC2)C1 ZINC001203573733 1122233339 /nfs/dbraw/zinc/23/33/39/1122233339.db2.gz GMAGNSONRNNDDW-UHFFFAOYSA-N 0 0 272.175 3.685 20 10 CHCDRN CC[C@H]([NH2+][C@@H](CC)C1CC1)c1ccc(F)cc1[O-] ZINC000850540434 1123288368 /nfs/dbraw/zinc/28/83/68/1123288368.db2.gz MTKJVTAEJNIDLQ-KBPBESRZSA-N 0 0 251.345 3.761 20 10 CHCDRN CC(C)(C)C1CC(C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000857548020 1123606403 /nfs/dbraw/zinc/60/64/03/1123606403.db2.gz ALWYYEWJVPWDJQ-UHFFFAOYSA-N 0 0 295.810 3.734 20 10 CHCDRN CCCOC(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC000859195081 1123689175 /nfs/dbraw/zinc/68/91/75/1123689175.db2.gz KQUGFACLQWJWDB-UHFFFAOYSA-N 0 0 261.321 3.721 20 10 CHCDRN CC[C@H](C[C@H](C)O)[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000866634541 1124091855 /nfs/dbraw/zinc/09/18/55/1124091855.db2.gz SGQQZLNRZVOQGG-MISXGVKJSA-N 0 0 285.815 3.636 20 10 CHCDRN C[C@]1(C2CCCCC2)CCN1C(=O)C1=CC(=O)CS1 ZINC000831202277 1131480032 /nfs/dbraw/zinc/48/00/32/1131480032.db2.gz NKIQYTDMJFDACD-OAHLLOKOSA-N 0 0 279.405 3.639 20 10 CHCDRN Cc1cc(C)c(CN2CCCCC(F)(F)C2)c(O)c1 ZINC001231841666 1132374941 /nfs/dbraw/zinc/37/49/41/1132374941.db2.gz CWEDZFPDFTYPIG-UHFFFAOYSA-N 0 0 269.335 3.630 20 10 CHCDRN CC1(C)CC[N@H+](Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233417712 1132618444 /nfs/dbraw/zinc/61/84/44/1132618444.db2.gz FKNXMARFKHEQLC-UHFFFAOYSA-N 0 0 273.298 3.643 20 10 CHCDRN CC[C@@H](C)C[C@H](C)NC(=O)N[C@@H](C)c1ccccc1O ZINC001222302482 1135220574 /nfs/dbraw/zinc/22/05/74/1135220574.db2.gz PLBBYFYRKIAYRU-AGIUHOORSA-N 0 0 278.396 3.577 20 10 CHCDRN CCC(C)(CC)C(=O)NCCCSc1nccs1 ZINC000134304289 1125554347 /nfs/dbraw/zinc/55/43/47/1125554347.db2.gz IXRAAMULPYGMMF-UHFFFAOYSA-N 0 0 286.466 3.568 20 10 CHCDRN C[C@@H](Nc1cnn(C)c1C1CC1)c1ccc(Cl)cc1O ZINC000841754030 1125591762 /nfs/dbraw/zinc/59/17/62/1125591762.db2.gz YQRYLDYNGVMAOM-SECBINFHSA-N 0 0 291.782 3.830 20 10 CHCDRN C[C@@H]([NH2+]CCCC1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841759527 1125599682 /nfs/dbraw/zinc/59/96/82/1125599682.db2.gz ZHCJEKNEDXYMFA-GFCCVEGCSA-N 0 0 297.826 3.903 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(Cl)cc1[O-] ZINC000841758916 1125600216 /nfs/dbraw/zinc/60/02/16/1125600216.db2.gz WDYBQUHMKUHBTH-XYHOJCAOSA-N 0 0 265.784 3.885 20 10 CHCDRN C[C@@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886489434 1125680152 /nfs/dbraw/zinc/68/01/52/1125680152.db2.gz IPICTNKGCNBYFF-VXGBXAGGSA-N 0 0 259.324 3.943 20 10 CHCDRN CO[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886508832 1125681645 /nfs/dbraw/zinc/68/16/45/1125681645.db2.gz OEWPTTQFQHSQTN-LRDDRELGSA-N 0 0 289.350 3.570 20 10 CHCDRN COc1ccc([C@@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886519377 1125682619 /nfs/dbraw/zinc/68/26/19/1125682619.db2.gz UHBKCAAUWDXFQB-NEPJUHHUSA-N 0 0 289.350 3.952 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1c([O-])cccc1F)c1ccncc1 ZINC000886532785 1125685756 /nfs/dbraw/zinc/68/57/56/1125685756.db2.gz OUJLUUIKPDOWKL-FZMZJTMJSA-N 0 0 274.339 3.728 20 10 CHCDRN COCCC1(C[NH2+][C@@H](C)c2c([O-])cccc2F)CCCC1 ZINC000886540972 1125686506 /nfs/dbraw/zinc/68/65/06/1125686506.db2.gz NXFRZXPDQVBNCN-ZDUSSCGKSA-N 0 0 295.398 3.779 20 10 CHCDRN CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c([O-])cccc2F)CCO1 ZINC000886580248 1125692495 /nfs/dbraw/zinc/69/24/95/1125692495.db2.gz BFHQOHLKHGFNQP-MELADBBJSA-N 0 0 295.398 3.776 20 10 CHCDRN C[C@@H](Nc1cccc(CCCO)c1)c1c(O)cccc1F ZINC000886588377 1125694457 /nfs/dbraw/zinc/69/44/57/1125694457.db2.gz PXEOTMRVILUJRX-GFCCVEGCSA-N 0 0 289.350 3.629 20 10 CHCDRN C[C@@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1c([O-])cccc1F ZINC000886648126 1125702749 /nfs/dbraw/zinc/70/27/49/1125702749.db2.gz MEKYAXZOPHSDTD-IUODEOHRSA-N 0 0 293.382 3.674 20 10 CHCDRN C[C@H](Nc1cccc(CCCO)c1)c1cc(F)ccc1O ZINC000139029361 1125719323 /nfs/dbraw/zinc/71/93/23/1125719323.db2.gz HQVICFMLWOSAII-LBPRGKRZSA-N 0 0 289.350 3.629 20 10 CHCDRN COc1ccc(N(CCC[C@H](C)O)CCC(C)C)cc1 ZINC000796502215 1129762616 /nfs/dbraw/zinc/76/26/16/1129762616.db2.gz BLAUZAWOAVZDHL-HNNXBMFYSA-N 0 0 279.424 3.709 20 10 CHCDRN O=C(OCc1cccc(F)c1Cl)C1=CC(=O)CS1 ZINC000771959019 1129998507 /nfs/dbraw/zinc/99/85/07/1129998507.db2.gz OKHGDEPZWNNMNP-UHFFFAOYSA-N 0 0 286.711 3.603 20 10 CHCDRN CS[C@H](C[NH2+]Cc1cccc(Cl)c1[O-])C(C)(C)C ZINC000753569701 1130217098 /nfs/dbraw/zinc/21/70/98/1130217098.db2.gz LVWFDRXLUCERSV-GFCCVEGCSA-N 0 0 287.856 3.913 20 10 CHCDRN C[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2[O-])CCS1 ZINC000756147789 1130396073 /nfs/dbraw/zinc/39/60/73/1130396073.db2.gz VFACNISKKSTOQO-SECBINFHSA-N 0 0 289.803 3.512 20 10 CHCDRN Cc1cnc(C(C)(C)[NH2+]Cc2cccc(Cl)c2[O-])s1 ZINC000182553456 1126873906 /nfs/dbraw/zinc/87/39/06/1126873906.db2.gz DPOKIAYKBNUFLH-UHFFFAOYSA-N 0 0 296.823 3.835 20 10 CHCDRN Cc1cc(C(=O)NCC2CC2)c(C)n1-c1cccc(C)c1 ZINC000905152696 1126891080 /nfs/dbraw/zinc/89/10/80/1126891080.db2.gz FXADBOKUFMGJTI-UHFFFAOYSA-N 0 0 282.387 3.542 20 10 CHCDRN COCCC1(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])CCCC1 ZINC000185747475 1126901998 /nfs/dbraw/zinc/90/19/98/1126901998.db2.gz ZYMPOPBGOGNGBA-ZDUSSCGKSA-N 0 0 295.398 3.779 20 10 CHCDRN CN(c1ccc(N)cc1)c1ccc(Br)cc1F ZINC001212871067 1129212970 /nfs/dbraw/zinc/21/29/70/1129212970.db2.gz XUSOUJKRPBOFEP-UHFFFAOYSA-N 0 0 295.155 3.938 20 10 CHCDRN Cc1cc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])ccc1F ZINC000191190285 1126949214 /nfs/dbraw/zinc/94/92/14/1126949214.db2.gz KMOHJOWMPBNXGY-SNVBAGLBSA-N 0 0 295.304 3.969 20 10 CHCDRN COc1cccc(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000191186480 1126949334 /nfs/dbraw/zinc/94/93/34/1126949334.db2.gz GHFMOSVXQQTCMV-JTQLQIEISA-N 0 0 293.313 3.530 20 10 CHCDRN C[C@H]([NH2+]CCc1cccs1)c1ccc(F)c(F)c1[O-] ZINC000191184705 1126949347 /nfs/dbraw/zinc/94/93/47/1126949347.db2.gz ACEUUKNPEXVDOQ-VIFPVBQESA-N 0 0 283.343 3.625 20 10 CHCDRN COc1ccc(NCc2c(O)cccc2Cl)c(C)c1 ZINC000149167703 1126955080 /nfs/dbraw/zinc/95/50/80/1126955080.db2.gz QLMJCOUQZLRGPB-UHFFFAOYSA-N 0 0 277.751 3.975 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2nc(C(C)C)no2)cc1 ZINC000191588694 1126953430 /nfs/dbraw/zinc/95/34/30/1126953430.db2.gz KKXWYYIWXTYQKV-UHFFFAOYSA-N 0 0 289.379 3.617 20 10 CHCDRN Cc1c(NCc2ccccc2O)cnn1C1CCCC1 ZINC000195456999 1126980027 /nfs/dbraw/zinc/98/00/27/1126980027.db2.gz KDLNPNUCAHPMKL-UHFFFAOYSA-N 0 0 271.364 3.624 20 10 CHCDRN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(N)cc1 ZINC000269147330 1127035464 /nfs/dbraw/zinc/03/54/64/1127035464.db2.gz ZROVPZYEDILYPZ-RCBQFDQVSA-N 0 0 290.407 3.581 20 10 CHCDRN Cc1ccc([C@H](C)N(C)C(=O)Cc2ccc(N)cc2)c(C)c1 ZINC000269248038 1127036656 /nfs/dbraw/zinc/03/66/56/1127036656.db2.gz RYIVWWWPMFCFQH-HNNXBMFYSA-N 0 0 296.414 3.648 20 10 CHCDRN CC[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000796753826 1129214402 /nfs/dbraw/zinc/21/44/02/1129214402.db2.gz NQXRNLMPDKIALN-RDJZCZTQSA-N 0 0 295.398 3.513 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)CC ZINC000271090136 1127068626 /nfs/dbraw/zinc/06/86/26/1127068626.db2.gz UCGZUWKEGNEZPH-UHFFFAOYSA-N 0 0 276.424 3.537 20 10 CHCDRN C[C@@H]([NH2+]CC1(C)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815595685 1131006215 /nfs/dbraw/zinc/00/62/15/1131006215.db2.gz YDSHAWDWLTZFPK-SECBINFHSA-N 0 0 273.298 3.862 20 10 CHCDRN Cc1cc2ccccc2nc1NCc1ccccc1O ZINC000163770070 1127142690 /nfs/dbraw/zinc/14/26/90/1127142690.db2.gz JIRSABMOTSYNHV-UHFFFAOYSA-N 0 0 264.328 3.861 20 10 CHCDRN Oc1cc(F)c(Cl)cc1CNc1ccc(Cl)cn1 ZINC000816586426 1131108047 /nfs/dbraw/zinc/10/80/47/1131108047.db2.gz HPQMFXYBBLFSHL-UHFFFAOYSA-N 0 0 287.121 3.845 20 10 CHCDRN Cc1ncccc1C[N@@H+](C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237941262 1131153938 /nfs/dbraw/zinc/15/39/38/1131153938.db2.gz UISQYWHURYYSFB-UHFFFAOYSA-N 0 0 294.757 3.520 20 10 CHCDRN CC[C@@H]([NH2+]CC1(CCO)CCCC1)c1ccc(F)cc1[O-] ZINC000285955926 1127248862 /nfs/dbraw/zinc/24/88/62/1127248862.db2.gz GKIQFEISQIUJGO-OAHLLOKOSA-N 0 0 295.398 3.515 20 10 CHCDRN CC[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000286107479 1127258744 /nfs/dbraw/zinc/25/87/44/1127258744.db2.gz MYRTWMXECQMXCG-UKRRQHHQSA-N 0 0 281.371 3.531 20 10 CHCDRN CN(C)c1ccc(-c2nc(-c3nccs3)cs2)cc1 ZINC000780527382 1127296456 /nfs/dbraw/zinc/29/64/56/1127296456.db2.gz NCQOEASBCWMMOW-UHFFFAOYSA-N 0 0 287.413 4.000 20 10 CHCDRN CC[C@H]([NH2+]Cc1ccn(C)c1)c1cccc(Cl)c1[O-] ZINC000287302401 1127299928 /nfs/dbraw/zinc/29/99/28/1127299928.db2.gz CNGKBGXVUCPOHK-AWEZNQCLSA-N 0 0 278.783 3.625 20 10 CHCDRN CC[C@H](Nc1cc2c(cc1C)OCO2)c1ccccc1O ZINC000157926087 1127408082 /nfs/dbraw/zinc/40/80/82/1127408082.db2.gz LNPWMGSNCQOCQT-ZDUSSCGKSA-N 0 0 285.343 3.993 20 10 CHCDRN CC1(C)Oc2ccc(NCc3cc(F)ccc3O)cc2O1 ZINC000226620527 1127413442 /nfs/dbraw/zinc/41/34/42/1127413442.db2.gz KPEFDOJAUVTQTJ-UHFFFAOYSA-N 0 0 289.306 3.651 20 10 CHCDRN Cc1cccc(CNc2cc3c(cc2Cl)OCO3)c1O ZINC000158140675 1127451668 /nfs/dbraw/zinc/45/16/68/1127451668.db2.gz NTDBAGVUKZDJBR-UHFFFAOYSA-N 0 0 291.734 3.695 20 10 CHCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(F)c2[O-])[C@@H](C)[C@H]1C ZINC001308826188 1127498324 /nfs/dbraw/zinc/49/83/24/1127498324.db2.gz UTIAKTMPTBTGRI-UTLUCORTSA-N 0 0 271.763 3.661 20 10 CHCDRN CC[C@H]([NH2+]C[C@H](OC)C1CC1)c1cccc(Cl)c1[O-] ZINC000293573909 1127507214 /nfs/dbraw/zinc/50/72/14/1127507214.db2.gz BNCJBZMRIROFAZ-KBPBESRZSA-N 0 0 283.799 3.511 20 10 CHCDRN Cc1cc(C[N@@H+](C)[C@@H](C)c2ccccn2)ccc1N(C)C ZINC000293771697 1127519214 /nfs/dbraw/zinc/51/92/14/1127519214.db2.gz KYWRPFSXLYWHIY-HNNXBMFYSA-N 0 0 283.419 3.649 20 10 CHCDRN C[N@H+](Cc1cccc(O)c1)Cc1cc(F)c(Cl)cc1[O-] ZINC001237933690 1129219990 /nfs/dbraw/zinc/21/99/90/1129219990.db2.gz FXCZUMOUISMBJF-UHFFFAOYSA-N 0 0 295.741 3.522 20 10 CHCDRN COc1ccc(N(C)Cc2cc(C)ccc2F)cc1OC ZINC000761221501 1127544856 /nfs/dbraw/zinc/54/48/56/1127544856.db2.gz OUHQPVNVITXCRX-UHFFFAOYSA-N 0 0 289.350 3.788 20 10 CHCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1ccoc1 ZINC000761221408 1127545310 /nfs/dbraw/zinc/54/53/10/1127545310.db2.gz KFJXVCXVCNPQJI-UHFFFAOYSA-N 0 0 279.286 3.834 20 10 CHCDRN COc1ccc(N(C)Cc2cccc3cc[nH]c32)cc1OC ZINC000761222357 1127546719 /nfs/dbraw/zinc/54/67/19/1127546719.db2.gz UFEPVJLACHHSIL-UHFFFAOYSA-N 0 0 296.370 3.822 20 10 CHCDRN COc1ccc(O)c(CN(C)c2ccc(SC)cc2)c1 ZINC000761222103 1127548556 /nfs/dbraw/zinc/54/85/56/1127548556.db2.gz HXKZEVGZWHPMNG-UHFFFAOYSA-N 0 0 289.400 3.759 20 10 CHCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCC2(CCCC2)C1 ZINC001237935455 1129220439 /nfs/dbraw/zinc/22/04/39/1129220439.db2.gz DSTFFKBPMPDCHV-UHFFFAOYSA-N 0 0 283.774 3.951 20 10 CHCDRN CCN(CC)c1ccc(CN[C@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000295210665 1127627477 /nfs/dbraw/zinc/62/74/77/1127627477.db2.gz LMLPEQCBPQHOIZ-PBHICJAKSA-N 0 0 298.434 3.525 20 10 CHCDRN Oc1cc2c(cc1CN(CC(F)F)CC1CCC1)CCC2 ZINC000761294083 1127642058 /nfs/dbraw/zinc/64/20/58/1127642058.db2.gz VQECSWLZTSRKLO-UHFFFAOYSA-N 0 0 295.373 3.748 20 10 CHCDRN Cc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)cs1 ZINC000296055903 1127661896 /nfs/dbraw/zinc/66/18/96/1127661896.db2.gz WWBGDVCYFNJUGG-XYOKQWHBSA-N 0 0 292.429 3.513 20 10 CHCDRN Oc1c(F)cccc1CN1Cc2cccc(Cl)c2C1 ZINC000809770920 1127664289 /nfs/dbraw/zinc/66/42/89/1127664289.db2.gz AUMGUSNCAQXGFY-UHFFFAOYSA-N 0 0 277.726 3.701 20 10 CHCDRN CCCc1cc(C(=O)NCc2ccc(N)cc2)sc1C ZINC000296815746 1127683396 /nfs/dbraw/zinc/68/33/96/1127683396.db2.gz AFSGYZQPHQEELQ-UHFFFAOYSA-N 0 0 288.416 3.521 20 10 CHCDRN CC(C)c1ccc(CCC(=O)NCc2ccc(N)cc2)cc1 ZINC000297211388 1127691038 /nfs/dbraw/zinc/69/10/38/1127691038.db2.gz NKFASRJWZQPZNR-UHFFFAOYSA-N 0 0 296.414 3.641 20 10 CHCDRN COc1ccc(NCc2cc(Cl)ccc2O)c(C)c1 ZINC000061565780 1127703085 /nfs/dbraw/zinc/70/30/85/1127703085.db2.gz HZXVWTZJGCEKOO-UHFFFAOYSA-N 0 0 277.751 3.975 20 10 CHCDRN O=C(CC1=CCCCC1)NCc1ccc(N2CCCC2)cc1 ZINC000171540306 1127711324 /nfs/dbraw/zinc/71/13/24/1127711324.db2.gz IIXPYPUINNXJQV-UHFFFAOYSA-N 0 0 298.430 3.794 20 10 CHCDRN C[C@H](Nc1cnn([C@@H](C)C2CC2)c1)c1ccccc1O ZINC000187610360 1127719289 /nfs/dbraw/zinc/71/92/89/1127719289.db2.gz DMEVPGBEKRIRFO-RYUDHWBXSA-N 0 0 271.364 3.733 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SCC1CCOCC1 ZINC000171860806 1127731500 /nfs/dbraw/zinc/73/15/00/1127731500.db2.gz AQNMTRVPRHCJGO-UHFFFAOYSA-N 0 0 288.416 3.606 20 10 CHCDRN C[C@H]([NH2+]Cc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000062744886 1127772530 /nfs/dbraw/zinc/77/25/30/1127772530.db2.gz MGNWQENHXXVDPF-JTQLQIEISA-N 0 0 263.287 3.521 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000062748438 1127773752 /nfs/dbraw/zinc/77/37/52/1127773752.db2.gz DVPLQYDGDYCSFP-MLGOLLRUSA-N 0 0 285.362 3.739 20 10 CHCDRN O=C(CC1CCC1)N(Cc1ccco1)Cc1ccccc1O ZINC000173673392 1127843844 /nfs/dbraw/zinc/84/38/44/1127843844.db2.gz XGLVGEPJQBDOQC-UHFFFAOYSA-N 0 0 299.370 3.704 20 10 CHCDRN Cc1nc(C)c(C)c(NCc2ccc(N3CCCC3)cc2)n1 ZINC000174421463 1127892951 /nfs/dbraw/zinc/89/29/51/1127892951.db2.gz CLRNVRGLDSRZGY-UHFFFAOYSA-N 0 0 296.418 3.614 20 10 CHCDRN Cc1cc(C(=O)N(C(C)C)C2CC2)c(C)n1-c1ccccn1 ZINC000171542113 1127903324 /nfs/dbraw/zinc/90/33/24/1127903324.db2.gz UJAGGOBQMNAUAT-UHFFFAOYSA-N 0 0 297.402 3.502 20 10 CHCDRN O=C(C1=CC(=O)CS1)N(c1ccccc1)C1CCC1 ZINC000913673805 1128072708 /nfs/dbraw/zinc/07/27/08/1128072708.db2.gz QTEFTXGMKDFVCM-UHFFFAOYSA-N 0 0 273.357 3.653 20 10 CHCDRN C[C@H](NC(=O)[C@@H]1CCC=CCCC1)c1ccccc1O ZINC000913763487 1128080114 /nfs/dbraw/zinc/08/01/14/1128080114.db2.gz ICLGBEKWXGADCF-UONOGXRCSA-N 0 0 273.376 3.706 20 10 CHCDRN CSc1ccccc1N(C)C(=O)/C=C\c1cncs1 ZINC000493789015 1128148318 /nfs/dbraw/zinc/14/83/18/1128148318.db2.gz NODDESWDNPDXBX-FPLPWBNLSA-N 0 0 290.413 3.541 20 10 CHCDRN Oc1ccc(F)cc1CNc1ccccc1N1CCCC1 ZINC000226580962 1128196274 /nfs/dbraw/zinc/19/62/74/1128196274.db2.gz UGANZHIGGOKESW-UHFFFAOYSA-N 0 0 286.350 3.744 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(CF)cc2)c(OC)c1 ZINC000777711756 1128253095 /nfs/dbraw/zinc/25/30/95/1128253095.db2.gz CUBXJXIVRQZXLI-UHFFFAOYSA-N 0 0 289.350 3.810 20 10 CHCDRN c1csc(Sc2nnc(NC3CCCCC3)s2)n1 ZINC000914862644 1128255500 /nfs/dbraw/zinc/25/55/00/1128255500.db2.gz PTIIFGPRFRDNHK-UHFFFAOYSA-N 0 0 298.462 3.890 20 10 CHCDRN Clc1ccc2[nH]c(Sc3nccs3)nc2c1 ZINC000914863399 1128256005 /nfs/dbraw/zinc/25/60/05/1128256005.db2.gz SFWJZORDRUOAML-UHFFFAOYSA-N 0 0 267.766 3.824 20 10 CHCDRN CC[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1ccc(F)cc1[O-] ZINC000926917209 1128202258 /nfs/dbraw/zinc/20/22/58/1128202258.db2.gz YQWQHKLSTAMEFS-DJIMGWMZSA-N 0 0 293.382 3.531 20 10 CHCDRN CC[C@H](C)N(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000914528412 1128203838 /nfs/dbraw/zinc/20/38/38/1128203838.db2.gz XEBRETTVTVGCHP-ZDUSSCGKSA-N 0 0 284.403 3.965 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1CC(C)(C)OC1(C)C)c1ccc(F)cc1[O-] ZINC000927101892 1128217659 /nfs/dbraw/zinc/21/76/59/1128217659.db2.gz PTAPCRWQLQAHDI-NEPJUHHUSA-N 0 0 295.398 3.776 20 10 CHCDRN 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1120391308 /nfs/dbraw/zinc/39/13/08/1120391308.db2.gz VAFKWDHZGKSFHD-OGHNNQOOSA-N 0 0 295.398 3.633 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])c1c(C)noc1C ZINC000186186842 1120393227 /nfs/dbraw/zinc/39/32/27/1120393227.db2.gz UWBKAWCRPHGNTB-XPTSAGLGSA-N 0 0 292.354 3.938 20 10 CHCDRN COc1ccc(F)cc1N[C@H](C)c1ccc(F)cc1O ZINC000186355810 1120396498 /nfs/dbraw/zinc/39/64/98/1120396498.db2.gz DCAZXPQPCRKAHB-SECBINFHSA-N 0 0 279.286 3.852 20 10 CHCDRN COc1cc(NCc2cc(C)c(C)cc2O)ccc1F ZINC000189572565 1120485146 /nfs/dbraw/zinc/48/51/46/1120485146.db2.gz RFHBVVLPGDGXNI-UHFFFAOYSA-N 0 0 275.323 3.769 20 10 CHCDRN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)c2ccccn2)c(O)c1 ZINC000692692158 1120488669 /nfs/dbraw/zinc/48/86/69/1120488669.db2.gz QIHTVERSFCESMH-ZIAGYGMSSA-N 0 0 270.376 3.550 20 10 CHCDRN C[C@H]([NH2+]Cc1cccc(Br)c1[O-])[C@@H]1CC1(C)C ZINC000397692352 1120509276 /nfs/dbraw/zinc/50/92/76/1120509276.db2.gz OZFHTBFEPVNXEU-ONGXEEELSA-N 0 0 298.224 3.679 20 10 CHCDRN CCc1ccccc1NCc1ccc(N2CCOCC2)cc1 ZINC000120164698 1120510295 /nfs/dbraw/zinc/51/02/95/1120510295.db2.gz QKPRFTIERCPLNL-UHFFFAOYSA-N 0 0 296.414 3.698 20 10 CHCDRN CC[N@@H+](Cc1cc(C)cc(Br)c1[O-])CC1CC1 ZINC000781912429 1120524108 /nfs/dbraw/zinc/52/41/08/1120524108.db2.gz PVMAIZBMNDDELD-UHFFFAOYSA-N 0 0 298.224 3.695 20 10 CHCDRN CN(C)c1ccc(CNc2cccc3cccnc32)cc1 ZINC000019903607 1120546997 /nfs/dbraw/zinc/54/69/97/1120546997.db2.gz SWTKEMFYZIVCTL-UHFFFAOYSA-N 0 0 277.371 3.913 20 10 CHCDRN CC(C)Oc1ccc(C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827984731 1120557831 /nfs/dbraw/zinc/55/78/31/1120557831.db2.gz DRCGAXYEALSZLG-ZDUSSCGKSA-N 0 0 299.370 3.670 20 10 CHCDRN Cc1ccnc(CN(C)c2ccc(OC(C)C)cc2)c1 ZINC000759933328 1120901298 /nfs/dbraw/zinc/90/12/98/1120901298.db2.gz MQMRLAIPNDWOHI-UHFFFAOYSA-N 0 0 270.376 3.814 20 10 CHCDRN CC(C)Oc1ccc(N(C)CC(F)(F)C(F)F)cc1 ZINC000759933760 1120902503 /nfs/dbraw/zinc/90/25/03/1120902503.db2.gz PIOPYYOGTADAQA-UHFFFAOYSA-N 0 0 279.277 3.810 20 10 CHCDRN COc1cccc(CN(C)c2ccc(OC(C)C)cc2)n1 ZINC000759934390 1120902857 /nfs/dbraw/zinc/90/28/57/1120902857.db2.gz TYYSHAWFAAOVEI-UHFFFAOYSA-N 0 0 286.375 3.514 20 10 CHCDRN Nc1ccc(Nc2cccc(OCC3CC3)c2)cc1 ZINC000709648309 1120948321 /nfs/dbraw/zinc/94/83/21/1120948321.db2.gz HMZZONPLPYCGKO-UHFFFAOYSA-N 0 0 254.333 3.801 20 10 CHCDRN CC(C)C[C@@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773409917 1121057411 /nfs/dbraw/zinc/05/74/11/1121057411.db2.gz HBDNIXFHMOVGIX-ZIAGYGMSSA-N 0 0 291.439 3.547 20 10 CHCDRN CC[C@H](C)[C@@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000317896143 1121057992 /nfs/dbraw/zinc/05/79/92/1121057992.db2.gz QZDMMBWIWKVZPY-KBXCAEBGSA-N 0 0 297.398 3.838 20 10 CHCDRN Oc1cccc(Nc2ccc3ccccc3c2)c1O ZINC001174874994 1121075251 /nfs/dbraw/zinc/07/52/51/1121075251.db2.gz HREHLNHSNVFGJH-UHFFFAOYSA-N 0 0 251.285 3.995 20 10 CHCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001137831861 1121179256 /nfs/dbraw/zinc/17/92/56/1121179256.db2.gz QDTABWJOSVMFMP-CQSZACIVSA-N 0 0 271.335 3.521 20 10 CHCDRN CN(Cc1ccccc1O)c1nnc(-c2ccccc2)s1 ZINC000090141010 1121214273 /nfs/dbraw/zinc/21/42/73/1121214273.db2.gz XXFNCFMURUXCBH-UHFFFAOYSA-N 0 0 297.383 3.547 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@H](CC(C)C)N(C)C)c1ccc(F)cc1[O-] ZINC000796686541 1121216899 /nfs/dbraw/zinc/21/68/99/1121216899.db2.gz YXEBGYAKFJXPFV-GDBMZVCRSA-N 0 0 296.430 3.548 20 10 CHCDRN CC[C@@H]1C[C@H]1CN(C)c1ccc(OC)c(Cl)c1 ZINC001167881186 1121220359 /nfs/dbraw/zinc/22/03/59/1121220359.db2.gz JIEXPQZERKURJS-MNOVXSKESA-N 0 0 253.773 3.831 20 10 CHCDRN CC[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])CC(F)(F)F ZINC000703214956 1121239923 /nfs/dbraw/zinc/23/99/23/1121239923.db2.gz OWODAVHWXVNWTC-MRVPVSSYSA-N 0 0 297.267 3.739 20 10 CHCDRN Cc1cccc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000703258289 1121242775 /nfs/dbraw/zinc/24/27/75/1121242775.db2.gz RRDGDGNLSNWDNA-NSHDSACASA-N 0 0 277.314 3.830 20 10 CHCDRN CCOc1cc(F)ccc1N(C)c1ccc(N)cc1 ZINC001175290564 1121256900 /nfs/dbraw/zinc/25/69/00/1121256900.db2.gz IWFUCQYKKHSKQH-UHFFFAOYSA-N 0 0 260.312 3.575 20 10 CHCDRN Cc1ncccc1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000705581790 1121408181 /nfs/dbraw/zinc/40/81/81/1121408181.db2.gz CUZWFPBELCSCEO-UHFFFAOYSA-N 0 0 297.185 3.692 20 10 CHCDRN COc1ccc(N(Cc2ccco2)CC2CC2)cc1F ZINC000763561761 1128983528 /nfs/dbraw/zinc/98/35/28/1128983528.db2.gz VCSWVWJIXKOKDL-UHFFFAOYSA-N 0 0 275.323 3.844 20 10 CHCDRN COc1ccc([C@@H](C)[N@H+](C)Cc2c([O-])cccc2F)cc1 ZINC001137838669 1121421532 /nfs/dbraw/zinc/42/15/32/1121421532.db2.gz GWTWHTPIIKMICB-GFCCVEGCSA-N 0 0 289.350 3.733 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCCC12CC2)c1ccc(F)cc1[O-] ZINC000706225413 1121421818 /nfs/dbraw/zinc/42/18/18/1121421818.db2.gz IWFINHNGSNCMRB-RYUDHWBXSA-N 0 0 263.356 3.762 20 10 CHCDRN CC(=O)c1cc(Cl)cc(C[NH+]2CCC3(CC3)CC2)c1[O-] ZINC000707120341 1121450715 /nfs/dbraw/zinc/45/07/15/1121450715.db2.gz DWLNSXOJHASBAJ-UHFFFAOYSA-N 0 0 293.794 3.624 20 10 CHCDRN Cc1scc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1C ZINC000708484328 1121464113 /nfs/dbraw/zinc/46/41/13/1121464113.db2.gz GRRLYZHGDNJPNX-UHFFFAOYSA-N 0 0 283.343 3.639 20 10 CHCDRN CCc1ccccc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708421350 1121464829 /nfs/dbraw/zinc/46/48/29/1121464829.db2.gz QXFYNUIMQMNRCW-UHFFFAOYSA-N 0 0 277.314 3.523 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1CCC(F)(F)CC1 ZINC000708501103 1121468808 /nfs/dbraw/zinc/46/88/08/1121468808.db2.gz AYEMTXYKHDUWPF-UHFFFAOYSA-N 0 0 291.288 3.586 20 10 CHCDRN Oc1cccc(Nc2cnn(C3CCCCC3)c2)c1O ZINC001175883826 1121476500 /nfs/dbraw/zinc/47/65/00/1121476500.db2.gz DZBLJKBVFJKFEY-UHFFFAOYSA-N 0 0 273.336 3.543 20 10 CHCDRN CN(c1cnn(C2CCCCC2)c1)c1ccc(N)cc1 ZINC001175884523 1121476590 /nfs/dbraw/zinc/47/65/90/1121476590.db2.gz PBMVKQNNGAKLSY-UHFFFAOYSA-N 0 0 270.380 3.738 20 10 CHCDRN Nc1ccc(N(c2ccccc2)C2=CCOCC2)cc1 ZINC001176149119 1121551737 /nfs/dbraw/zinc/55/17/37/1121551737.db2.gz MYHVMIBKIKWZHV-UHFFFAOYSA-N 0 0 266.344 3.711 20 10 CHCDRN Oc1ccc(Nc2cccc(O)c2O)c(C(F)(F)F)c1 ZINC001176340629 1121601538 /nfs/dbraw/zinc/60/15/38/1121601538.db2.gz SARUMTFBSGVKHC-UHFFFAOYSA-N 0 0 285.221 3.566 20 10 CHCDRN CCCCC[C@](C)(CC)C(=O)NCc1cc(O)ccc1O ZINC001176754894 1121692840 /nfs/dbraw/zinc/69/28/40/1121692840.db2.gz IUSLMFRHJLDDJS-KRWDZBQOSA-N 0 0 293.407 3.711 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC[C@@H]1CCCS1 ZINC000877697141 1121737501 /nfs/dbraw/zinc/73/75/01/1121737501.db2.gz CBVDFOCHMDUQNI-NSHDSACASA-N 0 0 289.803 3.560 20 10 CHCDRN CCN(C(=O)/C=C\c1cncc(F)c1)c1cccc(C)c1C ZINC000729341278 1121778554 /nfs/dbraw/zinc/77/85/54/1121778554.db2.gz POBUBZJDZRUEDA-HJWRWDBZSA-N 0 0 298.361 3.904 20 10 CHCDRN O=C(/C=C/c1cncc(F)c1)N1CCCCc2ccccc21 ZINC000729371819 1121783995 /nfs/dbraw/zinc/78/39/95/1121783995.db2.gz LBBPNASCRHBTIF-CMDGGOBGSA-N 0 0 296.345 3.603 20 10 CHCDRN CC(C)(C)c1cc(O)c(O)c(CN2Cc3ccccc3C2)c1 ZINC000729982906 1121788953 /nfs/dbraw/zinc/78/89/53/1121788953.db2.gz AXBSMIHUIKSUPF-UHFFFAOYSA-N 0 0 297.398 3.911 20 10 CHCDRN Clc1ccc(NCc2ccc(N3CCCC3)cc2)cn1 ZINC000149501211 1121806410 /nfs/dbraw/zinc/80/64/10/1121806410.db2.gz UDTUNCPGDJKOPD-UHFFFAOYSA-N 0 0 287.794 3.947 20 10 CHCDRN CC[C@H](Sc1nccs1)C(=O)c1ccc(OC)cc1 ZINC000730953580 1121839094 /nfs/dbraw/zinc/83/90/94/1121839094.db2.gz KNBYDHYTSNBQRU-LBPRGKRZSA-N 0 0 293.413 3.905 20 10 CHCDRN Cc1ccc(F)c2c1N(C(=O)/C=C/c1cccnc1)CCC2 ZINC000731329636 1121862887 /nfs/dbraw/zinc/86/28/87/1121862887.db2.gz DBNNVIMQKKPWOU-VQHVLOKHSA-N 0 0 296.345 3.522 20 10 CHCDRN CCc1noc(-c2ccc3c(c2)c(C)c(C)n3CCOC)n1 ZINC000731793105 1121883213 /nfs/dbraw/zinc/88/32/13/1121883213.db2.gz JOIFGMGQFWCYLP-UHFFFAOYSA-N 0 0 299.374 3.517 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cncc2ccccc21 ZINC001179768306 1121907031 /nfs/dbraw/zinc/90/70/31/1121907031.db2.gz MFXPDGAWOSKRHY-UHFFFAOYSA-N 0 0 298.773 3.884 20 10 CHCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)c1cccc(Cl)c1 ZINC000732267982 1121914350 /nfs/dbraw/zinc/91/43/50/1121914350.db2.gz AQPXARAPWOBRDM-LBPRGKRZSA-N 0 0 295.791 3.988 20 10 CHCDRN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)C1=CC(=O)CS1 ZINC000732259162 1121914355 /nfs/dbraw/zinc/91/43/55/1121914355.db2.gz NIHJROLMCBFVED-SDDRHHMPSA-N 0 0 279.405 3.542 20 10 CHCDRN O=C(N[C@@H]1CC[C@H]2CCCC[C@H]2C1)C1=CC(=O)CS1 ZINC000732259159 1121914542 /nfs/dbraw/zinc/91/45/42/1121914542.db2.gz NIHJROLMCBFVED-GRYCIOLGSA-N 0 0 279.405 3.542 20 10 CHCDRN Cc1ccc([C@@H](C)N(C)C(=O)C2=CC(=O)CS2)c(C)c1 ZINC000732268014 1121915794 /nfs/dbraw/zinc/91/57/94/1121915794.db2.gz BZKYNNNGVODNOG-GFCCVEGCSA-N 0 0 289.400 3.904 20 10 CHCDRN CSCCc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000732284700 1121915971 /nfs/dbraw/zinc/91/59/71/1121915971.db2.gz YUAPXNSXFHBNRH-UHFFFAOYSA-N 0 0 293.413 3.612 20 10 CHCDRN CC[N@H+](Cc1ccccc1F)Cc1cc(F)cc(F)c1[O-] ZINC001179913700 1121930708 /nfs/dbraw/zinc/93/07/08/1121930708.db2.gz FETXPDBJDFFGDV-UHFFFAOYSA-N 0 0 295.304 3.832 20 10 CHCDRN CCN(C(=O)/C=C/c1cnc(C)s1)c1cccc(C)c1 ZINC000732730697 1121937954 /nfs/dbraw/zinc/93/79/54/1121937954.db2.gz XZOXQFQAOSEPHC-CMDGGOBGSA-N 0 0 286.400 3.826 20 10 CHCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)C(C)C)cc1 ZINC000733093776 1121963520 /nfs/dbraw/zinc/96/35/20/1121963520.db2.gz UALUMHILTXHXRV-HNNXBMFYSA-N 0 0 290.451 3.783 20 10 CHCDRN CCCC[N@H+](CCOC)Cc1c(O)cc(C)cc1Cl ZINC001180262458 1121969481 /nfs/dbraw/zinc/96/94/81/1121969481.db2.gz VQZMUFNEZXVFSD-UHFFFAOYSA-N 0 0 285.815 3.603 20 10 CHCDRN COc1ccc2c(c1)CCCN2Cc1ncc(C(C)C)o1 ZINC000733308057 1121975030 /nfs/dbraw/zinc/97/50/30/1121975030.db2.gz UEIFVKREEGTVFY-UHFFFAOYSA-N 0 0 286.375 3.759 20 10 CHCDRN COC[C@@H](C)CN(Cc1ccccc1)c1ccc(OC)cc1 ZINC001180297193 1121977220 /nfs/dbraw/zinc/97/72/20/1121977220.db2.gz RZDRIWPUQPKKHZ-INIZCTEOSA-N 0 0 299.414 3.984 20 10 CHCDRN COCC1(CN(C)c2ccc(OC(C)C)cc2)CCC1 ZINC001180874043 1122021514 /nfs/dbraw/zinc/02/15/14/1122021514.db2.gz VOZIPSNSCZNYPA-UHFFFAOYSA-N 0 0 277.408 3.727 20 10 CHCDRN CC(C)([NH2+]Cc1cc(Cl)c(F)cc1[O-])C1CCC1 ZINC001181893773 1122093706 /nfs/dbraw/zinc/09/37/06/1122093706.db2.gz UJEDGNZIIRQAOK-UHFFFAOYSA-N 0 0 271.763 3.853 20 10 CHCDRN COc1cc(F)c(F)cc1NCc1ccc(Cl)cc1O ZINC001182196723 1122119172 /nfs/dbraw/zinc/11/91/72/1122119172.db2.gz VDVODYHJCNIZDK-UHFFFAOYSA-N 0 0 299.704 3.945 20 10 CHCDRN COc1ccc(N(C)C[C@H](C)c2ccccc2)cc1 ZINC001182733975 1122186038 /nfs/dbraw/zinc/18/60/38/1122186038.db2.gz JMVISEXTVFQOJU-AWEZNQCLSA-N 0 0 255.361 3.935 20 10 CHCDRN Cc1cc(O)c(CNc2cccc3c2OCC3)cc1Cl ZINC001182901286 1122194931 /nfs/dbraw/zinc/19/49/31/1122194931.db2.gz ADULELVZYIWCPD-UHFFFAOYSA-N 0 0 289.762 3.901 20 10 CHCDRN CC1(C)C[C@@]1(C)C[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001183573847 1122229811 /nfs/dbraw/zinc/22/98/11/1122229811.db2.gz WGLIZCJYBUHPRJ-AWEZNQCLSA-N 0 0 253.773 3.571 20 10 CHCDRN Cc1ccsc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370810 1122230155 /nfs/dbraw/zinc/23/01/55/1122230155.db2.gz FYGTWWUKLIVWLH-SNVBAGLBSA-N 0 0 292.360 3.521 20 10 CHCDRN C[C@H](CCC(C)(C)C)C(=O)N(C)Cc1ccccc1O ZINC000273366483 1122230497 /nfs/dbraw/zinc/23/04/97/1122230497.db2.gz BGSCOGVVJITEQY-CYBMUJFWSA-N 0 0 277.408 3.813 20 10 CHCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)c2ccccc2)c1 ZINC000273422114 1122232399 /nfs/dbraw/zinc/23/23/99/1122232399.db2.gz SLMNPGIQBHLQER-OLZOCXBDSA-N 0 0 299.370 3.591 20 10 CHCDRN CCCc1nc(C)c(CN(CC)c2ccc(OC)cc2)o1 ZINC000794413457 1122327988 /nfs/dbraw/zinc/32/79/88/1122327988.db2.gz MWGNWWNDJQHFHR-UHFFFAOYSA-N 0 0 288.391 3.971 20 10 CHCDRN CC(C)(C)c1c[nH]c(Sc2ncc(Cl)s2)n1 ZINC001187247605 1122423640 /nfs/dbraw/zinc/42/36/40/1122423640.db2.gz BIIXLJBOQIKKMP-UHFFFAOYSA-N 0 0 273.814 3.968 20 10 CHCDRN CC(C)c1cc(N2Cc3cccc(O)c3C2)nc(C(C)C)n1 ZINC001187405132 1122427820 /nfs/dbraw/zinc/42/78/20/1122427820.db2.gz MYYHWUVNCSBPMM-UHFFFAOYSA-N 0 0 297.402 3.949 20 10 CHCDRN COc1cc(C)c(NCc2cccc(C)c2O)cc1C ZINC000775183328 1122470163 /nfs/dbraw/zinc/47/01/63/1122470163.db2.gz JXBCILKMIASGGF-UHFFFAOYSA-N 0 0 271.360 3.938 20 10 CHCDRN c1csc(SC[C@H]2CCCC23CCOCC3)n1 ZINC001188659929 1122471513 /nfs/dbraw/zinc/47/15/13/1122471513.db2.gz HAUNJTHNOGYXPQ-LLVKDONJSA-N 0 0 269.435 3.832 20 10 CHCDRN COc1ccccc1C(=O)CSc1ncc(Cl)s1 ZINC001189833458 1122517624 /nfs/dbraw/zinc/51/76/24/1122517624.db2.gz WXGJWIGGKTUZDE-UHFFFAOYSA-N 0 0 299.804 3.780 20 10 CHCDRN CCc1ccc(NC(=O)NCc2ccccc2O)cc1CC ZINC000775382583 1122536575 /nfs/dbraw/zinc/53/65/75/1122536575.db2.gz YRJQMVSNJNFFDI-UHFFFAOYSA-N 0 0 298.386 3.839 20 10 CHCDRN COc1ccc(Cl)c(NCc2cc(C)ccc2O)c1 ZINC000071408567 1129063123 /nfs/dbraw/zinc/06/31/23/1129063123.db2.gz LCANUJNKZHSHDZ-UHFFFAOYSA-N 0 0 277.751 3.975 20 10 CHCDRN CCN(Cc1ccccc1O)C(=O)NC1CCCCCC1 ZINC001191262346 1122585286 /nfs/dbraw/zinc/58/52/86/1122585286.db2.gz JCUFWWWSDUFGRQ-UHFFFAOYSA-N 0 0 290.407 3.647 20 10 CHCDRN CCCC[C@H](CC)COC(=O)Nc1cccc(O)c1O ZINC001193969025 1122731689 /nfs/dbraw/zinc/73/16/89/1122731689.db2.gz TVZFAZJOHRVWAN-NSHDSACASA-N 0 0 281.352 3.863 20 10 CHCDRN C[N@H+](Cc1ccc(F)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775643736 1122852516 /nfs/dbraw/zinc/85/25/16/1122852516.db2.gz UFYMQRMAGHDTOU-UHFFFAOYSA-N 0 0 297.732 3.956 20 10 CHCDRN CCC(CC)CN1CCCc2cc(OC)cc(OC)c21 ZINC001195178380 1122853248 /nfs/dbraw/zinc/85/32/48/1122853248.db2.gz JZQFHJRPHIULPW-UHFFFAOYSA-N 0 0 277.408 3.893 20 10 CHCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCCC1 ZINC000775644700 1122855535 /nfs/dbraw/zinc/85/55/35/1122855535.db2.gz OFNKMNFTFFZAHI-UHFFFAOYSA-N 0 0 257.736 3.559 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000775650346 1122865813 /nfs/dbraw/zinc/86/58/13/1122865813.db2.gz AYABOOVARCXEQB-HNNXBMFYSA-N 0 0 288.778 3.778 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000775697776 1122911982 /nfs/dbraw/zinc/91/19/82/1122911982.db2.gz GKEULBGRFLSXLR-PHIMTYICSA-N 0 0 283.774 3.807 20 10 CHCDRN Cc1cccc(CNc2cccc(N(C)C)c2C)c1O ZINC000775762909 1122947285 /nfs/dbraw/zinc/94/72/85/1122947285.db2.gz KWOYSUNGOKNCKC-UHFFFAOYSA-N 0 0 270.376 3.687 20 10 CHCDRN Cc1cc(C[NH2+]Cc2cccc(Cl)c2[O-])ccc1F ZINC000775844405 1122988975 /nfs/dbraw/zinc/98/89/75/1122988975.db2.gz HCAXZDVKERALSH-UHFFFAOYSA-N 0 0 279.742 3.783 20 10 CHCDRN COc1cc(O)c(CNc2cccc3cc[nH]c32)cc1OC ZINC000775998853 1123033966 /nfs/dbraw/zinc/03/39/66/1123033966.db2.gz WMRQAXNYJJLHED-UHFFFAOYSA-N 0 0 298.342 3.503 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)Nc1cccc2cc[nH]c21 ZINC000776063736 1123052014 /nfs/dbraw/zinc/05/20/14/1123052014.db2.gz KGYZTPVBSOXIRP-UHFFFAOYSA-N 0 0 295.342 3.537 20 10 CHCDRN O=C(/C=C\C1CCCC1)NCc1ccc(N2CCCC2)cc1 ZINC000843767011 1123093403 /nfs/dbraw/zinc/09/34/03/1123093403.db2.gz WIYVEFVCTSEBNW-XFXZXTDPSA-N 0 0 298.430 3.649 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCc2ccccc21 ZINC000776174949 1123101685 /nfs/dbraw/zinc/10/16/85/1123101685.db2.gz LBNOFQDKHCFUQJ-CYBMUJFWSA-N 0 0 287.790 3.865 20 10 CHCDRN COc1cc(Nc2ccc(NC(C)C)cc2)ccn1 ZINC001201486864 1123107745 /nfs/dbraw/zinc/10/77/45/1123107745.db2.gz AEYVCHHTJONYLN-UHFFFAOYSA-N 0 0 257.337 3.654 20 10 CHCDRN CC(=O)Nc1cc(Nc2ccc(NC(C)C)cc2)ccn1 ZINC001201489358 1123108800 /nfs/dbraw/zinc/10/88/00/1123108800.db2.gz OWRZTQVWEGREAB-UHFFFAOYSA-N 0 0 284.363 3.604 20 10 CHCDRN CC(C)Nc1ccc(Nc2ccc3c(c2)NC(=O)CO3)cc1 ZINC001201498348 1123111259 /nfs/dbraw/zinc/11/12/59/1123111259.db2.gz ZTMSJLUZXKTYDV-UHFFFAOYSA-N 0 0 297.358 3.581 20 10 CHCDRN CC(C)Nc1ccc(Nc2cccc(-n3cncn3)c2)cc1 ZINC001201497166 1123111466 /nfs/dbraw/zinc/11/14/66/1123111466.db2.gz DQEIWLSDFSJOKP-UHFFFAOYSA-N 0 0 293.374 3.831 20 10 CHCDRN CC(C)Nc1ccc(Nc2cccc(N)c2O)cc1 ZINC001201504138 1123112557 /nfs/dbraw/zinc/11/25/57/1123112557.db2.gz BYHOHFSYYJGXET-UHFFFAOYSA-N 0 0 257.337 3.538 20 10 CHCDRN CCN(CC)c1ccc(CNc2cccnc2C)cc1F ZINC001201566549 1123124787 /nfs/dbraw/zinc/12/47/87/1123124787.db2.gz KPLDCQUZOQGPTC-UHFFFAOYSA-N 0 0 287.382 3.987 20 10 CHCDRN Cc1csc2nc(C)nc(Sc3nccs3)c12 ZINC000133225747 1123158593 /nfs/dbraw/zinc/15/85/93/1123158593.db2.gz ZYFIHLDMMXKJCV-UHFFFAOYSA-N 0 0 279.415 3.916 20 10 CHCDRN C[C@H](NC(=O)Nc1ccc(F)cc1F)c1ccccc1O ZINC001202025571 1123167327 /nfs/dbraw/zinc/16/73/27/1123167327.db2.gz FBPJYCWPYUOIEJ-VIFPVBQESA-N 0 0 292.285 3.553 20 10 CHCDRN CCN(Cc1ccccc1O)C(=O)Nc1ccccc1F ZINC001201995030 1123167816 /nfs/dbraw/zinc/16/78/16/1123167816.db2.gz FNJVORVUSQVNDK-UHFFFAOYSA-N 0 0 288.322 3.585 20 10 CHCDRN CC(C)(C[NH2+]Cc1cccc(Cl)c1[O-])[C@@H]1CCCCO1 ZINC000776247298 1123180174 /nfs/dbraw/zinc/18/01/74/1123180174.db2.gz CJLOIFUEHZMATE-AWEZNQCLSA-N 0 0 297.826 3.731 20 10 CHCDRN Cc1ccncc1[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000776254408 1123180435 /nfs/dbraw/zinc/18/04/35/1123180435.db2.gz FGVHIPBGZPGBKI-SNVBAGLBSA-N 0 0 294.757 3.739 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CC12CCCC2)c1cc(F)cc(F)c1[O-] ZINC000760041391 1123183369 /nfs/dbraw/zinc/18/33/69/1123183369.db2.gz OURXXJXVTUQKSW-TVQRCGJNSA-N 0 0 267.319 3.654 20 10 CHCDRN CN1C(=O)/C(=C\c2ccc(C(C)(C)C)s2)SC1=S ZINC000178995207 1123201294 /nfs/dbraw/zinc/20/12/94/1123201294.db2.gz UYRYDTUASLKAMY-VQHVLOKHSA-N 0 0 297.470 3.877 20 10 CHCDRN CC(C)(C[NH2+][C@H]1CCc2cccc(O)c21)C(C)(F)F ZINC000696595992 1123220953 /nfs/dbraw/zinc/22/09/53/1123220953.db2.gz GMDFFSXQPIOXJB-NSHDSACASA-N 0 0 269.335 3.651 20 10 CHCDRN CC(C)Cc1noc(CSc2ncc(Cl)s2)n1 ZINC000849999400 1123236008 /nfs/dbraw/zinc/23/60/08/1123236008.db2.gz QQACTWMUIKPTIM-UHFFFAOYSA-N 0 0 289.813 3.670 20 10 CHCDRN CC1(C)C[C@H](Sc2ncc(Cl)s2)CCO1 ZINC000850001331 1123236898 /nfs/dbraw/zinc/23/68/98/1123236898.db2.gz GKWUFVTUOFHGEG-SSDOTTSWSA-N 0 0 263.815 3.846 20 10 CHCDRN CC[C@@H](NCc1nc(C(C)(C)C)co1)c1ccccc1O ZINC000895133303 1123246268 /nfs/dbraw/zinc/24/62/68/1123246268.db2.gz IJWLRGSKCXCZOH-CYBMUJFWSA-N 0 0 288.391 3.919 20 10 CHCDRN C[C@H](NC/C=C/c1ccc(N(C)C)cc1)c1cscn1 ZINC000850359700 1123256490 /nfs/dbraw/zinc/25/64/90/1123256490.db2.gz OMBCRTUUIRENEU-IHVVCDCBSA-N 0 0 287.432 3.573 20 10 CHCDRN Oc1ccccc1CNc1ccc(O[C@H]2CC2(F)F)cc1 ZINC000850403600 1123263571 /nfs/dbraw/zinc/26/35/71/1123263571.db2.gz QSLYGODTDTWEBF-HNNXBMFYSA-N 0 0 291.297 3.791 20 10 CHCDRN C[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1[O-])c1ccccn1 ZINC000850483169 1123274589 /nfs/dbraw/zinc/27/45/89/1123274589.db2.gz ULSRSWJZDWCYCV-VXGBXAGGSA-N 0 0 290.794 3.895 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccc(F)cc1[O-] ZINC000850535695 1123287034 /nfs/dbraw/zinc/28/70/34/1123287034.db2.gz ZJKJLVBCAYZLHI-ZLDLUXBVSA-N 0 0 281.371 3.530 20 10 CHCDRN CCSC1(C[NH2+][C@H](CC)c2ccc(F)cc2[O-])CC1 ZINC000850553545 1123290195 /nfs/dbraw/zinc/29/01/95/1123290195.db2.gz YOKHMEHEOJTEQN-CYBMUJFWSA-N 0 0 283.412 3.858 20 10 CHCDRN CCCN1CC[C@@H]([NH2+][C@@H](CC)c2cccc(Cl)c2[O-])C1 ZINC000850553826 1123291249 /nfs/dbraw/zinc/29/12/49/1123291249.db2.gz DHKLXZDYZXRNJG-DOMZBBRYSA-N 0 0 296.842 3.571 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cccc(Cl)c1[O-] ZINC000850571285 1123295026 /nfs/dbraw/zinc/29/50/26/1123295026.db2.gz OXRFMOSEDDCLDL-SMDDNHRTSA-N 0 0 297.826 3.901 20 10 CHCDRN CC1(C)C[C@]1(C(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000851633760 1123371568 /nfs/dbraw/zinc/37/15/68/1123371568.db2.gz SJICCAWJYHEFJW-GOSISDBHSA-N 0 0 280.371 3.575 20 10 CHCDRN CC1(C)C[C@@]1(C(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000851633761 1123371653 /nfs/dbraw/zinc/37/16/53/1123371653.db2.gz SJICCAWJYHEFJW-SFHVURJKSA-N 0 0 280.371 3.575 20 10 CHCDRN CCCCC[C@H]1CCCCN1C(=O)Cc1ccc(N)cc1 ZINC000851647628 1123373030 /nfs/dbraw/zinc/37/30/30/1123373030.db2.gz OXAKFDAQCNZPFG-KRWDZBQOSA-N 0 0 288.435 3.773 20 10 CHCDRN COc1ccc(N(Cc2conc2C)C(C)C)cc1F ZINC000851836673 1123384491 /nfs/dbraw/zinc/38/44/91/1123384491.db2.gz WUBKQABXXIHZFI-UHFFFAOYSA-N 0 0 278.327 3.546 20 10 CHCDRN CN(C)c1ccc(-c2nc([C@@H]3CCCOC3)cs2)cc1 ZINC000183877154 1129121576 /nfs/dbraw/zinc/12/15/76/1129121576.db2.gz WSGHAQQPMOCOGG-CYBMUJFWSA-N 0 0 288.416 3.770 20 10 CHCDRN CC(C)c1ccccc1N(C)C(=O)C1=CC(=O)CS1 ZINC000854493869 1123487172 /nfs/dbraw/zinc/48/71/72/1123487172.db2.gz KSCLQDFRERCBIW-UHFFFAOYSA-N 0 0 275.373 3.854 20 10 CHCDRN CC1=CC[C@](C)(C(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000855022537 1123503335 /nfs/dbraw/zinc/50/33/35/1123503335.db2.gz ATBMICXBAUKGBO-INIZCTEOSA-N 0 0 293.794 3.798 20 10 CHCDRN CCCC[C@@](C)(F)C(=O)NCc1cc(Cl)ccc1O ZINC000855022514 1123503372 /nfs/dbraw/zinc/50/33/72/1123503372.db2.gz AJHYSKIOWVAIRK-CQSZACIVSA-N 0 0 287.762 3.580 20 10 CHCDRN Oc1cccc2c1CN(Cc1ccc(C(F)F)c(F)c1)C2 ZINC000895785454 1123514315 /nfs/dbraw/zinc/51/43/15/1123514315.db2.gz QNKFRNFYLSOLOI-UHFFFAOYSA-N 0 0 293.288 3.985 20 10 CHCDRN CC(C)[C@@H](NC(=O)C1=CC(=O)CS1)c1ccccc1F ZINC000855530310 1123523702 /nfs/dbraw/zinc/52/37/02/1123523702.db2.gz CCHXSEISEMJDLW-CQSZACIVSA-N 0 0 293.363 3.720 20 10 CHCDRN COCc1noc(-c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000113725879 1123540360 /nfs/dbraw/zinc/54/03/60/1123540360.db2.gz JLJAEJULIXNRBA-UHFFFAOYSA-N 0 0 297.358 3.599 20 10 CHCDRN CC[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(F)cc1[O-] ZINC000857080433 1123584945 /nfs/dbraw/zinc/58/49/45/1123584945.db2.gz GLVCHKFYXDEPJE-BXKDBHETSA-N 0 0 273.298 3.617 20 10 CHCDRN CC[C@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc(F)cc1[O-] ZINC000857080434 1123584897 /nfs/dbraw/zinc/58/48/97/1123584897.db2.gz GLVCHKFYXDEPJE-CABZTGNLSA-N 0 0 273.298 3.617 20 10 CHCDRN Cc1cccc(Cl)c1C(=O)N(C)Cc1ccccc1O ZINC000857466969 1123601376 /nfs/dbraw/zinc/60/13/76/1123601376.db2.gz NDKHJUGUEVDAOZ-UHFFFAOYSA-N 0 0 289.762 3.626 20 10 CHCDRN CC1(C)CCC(C(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000857547897 1123606530 /nfs/dbraw/zinc/60/65/30/1123606530.db2.gz ZMZGXVJITFOVFY-UHFFFAOYSA-N 0 0 295.810 3.878 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC2CC=CC2)cc1 ZINC000760089828 1123637825 /nfs/dbraw/zinc/63/78/25/1123637825.db2.gz FFFGQEKMNHIYTC-UHFFFAOYSA-N 0 0 280.371 3.543 20 10 CHCDRN COc1cccc(NCc2ccc(N(C)C)cc2)c1C ZINC000858240893 1123639158 /nfs/dbraw/zinc/63/91/58/1123639158.db2.gz TWSBZQCNDHNBGQ-UHFFFAOYSA-N 0 0 270.376 3.682 20 10 CHCDRN CCC[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])OCC ZINC000858451723 1123655213 /nfs/dbraw/zinc/65/52/13/1123655213.db2.gz ZQSFMZNETARKHR-CMPLNLGQSA-N 0 0 287.350 3.526 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1CCCC12CC2)c1cc(F)cc(F)c1[O-] ZINC000858595303 1123666265 /nfs/dbraw/zinc/66/62/65/1123666265.db2.gz YFDPOXLSIATFDO-MNOVXSKESA-N 0 0 281.346 3.901 20 10 CHCDRN CCN(C)c1ccc(C[N@@H+]2CCC(F)(F)C[C@@H]2C)cc1 ZINC000859837236 1123713368 /nfs/dbraw/zinc/71/33/68/1123713368.db2.gz FLZGINIRRXIGKE-ZDUSSCGKSA-N 0 0 282.378 3.762 20 10 CHCDRN Cc1cc(C(F)F)oc1C(=O)N(C)Cc1ccccc1O ZINC000860049443 1123719492 /nfs/dbraw/zinc/71/94/92/1123719492.db2.gz VAKXQYFPHLAREA-UHFFFAOYSA-N 0 0 295.285 3.503 20 10 CHCDRN C[C@@H](NC(=O)[C@@H]1CCCC12CC2)c1ccc(N(C)C)cc1 ZINC000860950884 1123760330 /nfs/dbraw/zinc/76/03/30/1123760330.db2.gz TYTDWPVUMLHJAN-CJNGLKHVSA-N 0 0 286.419 3.510 20 10 CHCDRN COc1ccccc1[C@@H](C)Sc1ncc([N+](=O)[O-])s1 ZINC000281977035 1123766243 /nfs/dbraw/zinc/76/62/43/1123766243.db2.gz RVSYDSNPLVMZPJ-MRVPVSSYSA-N 0 0 296.373 3.913 20 10 CHCDRN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCS1 ZINC000896953250 1123792848 /nfs/dbraw/zinc/79/28/48/1123792848.db2.gz WPVAJXQCFYQCHA-WCBMZHEXSA-N 0 0 289.803 3.558 20 10 CHCDRN C[C@@H](c1ccco1)N(C)Cc1cc(F)c(N(C)C)cc1F ZINC000862221214 1123793176 /nfs/dbraw/zinc/79/31/76/1123793176.db2.gz RJVACOMBRKELJW-NSHDSACASA-N 0 0 294.345 3.817 20 10 CHCDRN COc1ccc(N(C)Cc2cnc(C3CC3)o2)cc1Cl ZINC000862306233 1123799113 /nfs/dbraw/zinc/79/91/13/1123799113.db2.gz GVRSPYFIAIXNQW-UHFFFAOYSA-N 0 0 292.766 3.850 20 10 CHCDRN Cc1ccc([C@H](C)Nc2ccc(N3CCCC3)nc2)c(O)c1 ZINC000192751268 1123814889 /nfs/dbraw/zinc/81/48/89/1123814889.db2.gz GZAGXYDRQNVIDZ-AWEZNQCLSA-N 0 0 297.402 3.869 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCCC2(C)C)c1 ZINC000862755566 1123827288 /nfs/dbraw/zinc/82/72/88/1123827288.db2.gz IFGOXZGMFZMCHV-AWEZNQCLSA-N 0 0 275.392 3.533 20 10 CHCDRN Cc1ccc(CCCC(=O)NCc2cc(C)ccc2O)cc1 ZINC000862758723 1123827946 /nfs/dbraw/zinc/82/79/46/1123827946.db2.gz IQCDFBGNQYKCQO-UHFFFAOYSA-N 0 0 297.398 3.648 20 10 CHCDRN CC[C@@H](O)CNc1ccc(Nc2cccc(OC)c2)cc1 ZINC000863570085 1123877100 /nfs/dbraw/zinc/87/71/00/1123877100.db2.gz CLXVIMZEWGKBLW-MRXNPFEDSA-N 0 0 286.375 3.622 20 10 CHCDRN CC(C)c1nccc(NCc2ccc3c(c2)CCCN3C)n1 ZINC000301229927 1123883088 /nfs/dbraw/zinc/88/30/88/1123883088.db2.gz 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Cc1ccoc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742476294 1129481400 /nfs/dbraw/zinc/48/14/00/1129481400.db2.gz UFTKBSSLFNNFSW-UHFFFAOYSA-N 0 0 298.386 3.508 20 10 CHCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CC=CCC1 ZINC000742475954 1129481502 /nfs/dbraw/zinc/48/15/02/1129481502.db2.gz PVCCLNDXXZZNHI-QGZVFWFLSA-N 0 0 298.430 3.649 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(C)CCCC1 ZINC000302804901 1129502942 /nfs/dbraw/zinc/50/29/42/1129502942.db2.gz ABBKQUISNAMRIV-UHFFFAOYSA-N 0 0 288.435 3.681 20 10 CHCDRN COc1ccc(N(CC(C)C)C[C@H]2CCCCO2)cc1 ZINC000746171158 1129627809 /nfs/dbraw/zinc/62/78/09/1129627809.db2.gz RIFHMMGTEHQSMV-QGZVFWFLSA-N 0 0 277.408 3.727 20 10 CHCDRN COc1ccc(N(CC(C)C)C[C@@H]2CCCCO2)cc1 ZINC000746171157 1129627879 /nfs/dbraw/zinc/62/78/79/1129627879.db2.gz RIFHMMGTEHQSMV-KRWDZBQOSA-N 0 0 277.408 3.727 20 10 CHCDRN CC1(C)CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000097987271 1129634203 /nfs/dbraw/zinc/63/42/03/1129634203.db2.gz QBNFLDXZMLHTBT-UHFFFAOYSA-N 0 0 255.361 3.777 20 10 CHCDRN CC(C)Oc1ccc(N(C)CCOCC2CCC2)cc1 ZINC001169252876 1129713260 /nfs/dbraw/zinc/71/32/60/1129713260.db2.gz MNHJKRJBHSZQEW-UHFFFAOYSA-N 0 0 277.408 3.727 20 10 CHCDRN CC[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1ccc(F)cc1[O-] ZINC000796790595 1129777213 /nfs/dbraw/zinc/77/72/13/1129777213.db2.gz SIPURINQYPMDKC-USXIJHARSA-N 0 0 295.398 3.513 20 10 CHCDRN Cc1cnc(N(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000767179914 1129779313 /nfs/dbraw/zinc/77/93/13/1129779313.db2.gz LEIZULDUYNNIIM-UHFFFAOYSA-N 0 0 287.432 3.687 20 10 CHCDRN COc1cccc(C[N@H+](C)Cc2c(O)cccc2Cl)c1 ZINC000768163260 1129838166 /nfs/dbraw/zinc/83/81/66/1129838166.db2.gz MNIMZEFKBRACSB-UHFFFAOYSA-N 0 0 291.778 3.686 20 10 CHCDRN Cc1ccnc2cc(NCc3ccc(O)c(O)c3)ccc12 ZINC001169994509 1129870394 /nfs/dbraw/zinc/87/03/94/1129870394.db2.gz CJEVUVIZUJMAPC-UHFFFAOYSA-N 0 0 280.327 3.567 20 10 CHCDRN Cc1cncc2cccc(NCc3ccc(O)c(O)c3)c12 ZINC001169995181 1129873454 /nfs/dbraw/zinc/87/34/54/1129873454.db2.gz SEOCHJVCJFUMGW-UHFFFAOYSA-N 0 0 280.327 3.567 20 10 CHCDRN C[C@H]([NH2+]CCc1cccc2[nH]ccc21)c1ccc(F)cc1[O-] ZINC000800501437 1129880968 /nfs/dbraw/zinc/88/09/68/1129880968.db2.gz PNSPSOLXKGJHOY-LBPRGKRZSA-N 0 0 298.361 3.906 20 10 CHCDRN Cc1cc(Cl)cc(CN2CCCC[C@@H]2C(F)F)c1O ZINC000800533076 1129882100 /nfs/dbraw/zinc/88/21/00/1129882100.db2.gz GGJNFQNRNRSTIM-GFCCVEGCSA-N 0 0 289.753 3.974 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CCC[C@H]1C ZINC000769000402 1129887693 /nfs/dbraw/zinc/88/76/93/1129887693.db2.gz AXJFBLLAXFEUQD-HIFRSBDPSA-N 0 0 288.435 3.504 20 10 CHCDRN CCC(F)(F)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000822899092 1131405065 /nfs/dbraw/zinc/40/50/65/1131405065.db2.gz VTFDPYLHCCXWSJ-UHFFFAOYSA-N 0 0 298.377 3.535 20 10 CHCDRN CC(C)(C)c1cnc(SC[C@@H]2CCCOC2)s1 ZINC000769865451 1129927054 /nfs/dbraw/zinc/92/70/54/1129927054.db2.gz JLGQFOJZPWGNKM-SNVBAGLBSA-N 0 0 271.451 3.959 20 10 CHCDRN FC(F)(F)[C@@H]1CCC[C@H](CSc2nccs2)O1 ZINC000901477325 1129928201 /nfs/dbraw/zinc/92/82/01/1129928201.db2.gz OAZWTFLXHXFOLG-SFYZADRCSA-N 0 0 283.340 3.735 20 10 CHCDRN CC(C)c1cccc(N(C)C(=O)/C=C/c2cncc(O)c2)c1 ZINC000770487087 1129949648 /nfs/dbraw/zinc/94/96/48/1129949648.db2.gz OLEZMBQUDSKELN-BQYQJAHWSA-N 0 0 296.370 3.587 20 10 CHCDRN Fc1cc(-c2nc(-c3ccoc3)no2)ccc1-n1cccc1 ZINC000771194372 1129973547 /nfs/dbraw/zinc/97/35/47/1129973547.db2.gz JOXYPNQYPRZINZ-UHFFFAOYSA-N 0 0 295.273 3.926 20 10 CHCDRN CCc1cccc(CNc2ccccc2COC)c1O ZINC000691500006 1129977462 /nfs/dbraw/zinc/97/74/62/1129977462.db2.gz MGUYUOITLRVKAC-UHFFFAOYSA-N 0 0 271.360 3.713 20 10 CHCDRN CC(C)(CC(=O)CSc1nccs1)C1CC1 ZINC000829100608 1131411717 /nfs/dbraw/zinc/41/17/17/1131411717.db2.gz VUWVQIVWGYQEBI-UHFFFAOYSA-N 0 0 255.408 3.631 20 10 CHCDRN C/C(=C/C(C)(C)C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000772066612 1130004426 /nfs/dbraw/zinc/00/44/26/1130004426.db2.gz YZIDBFQEIFZPRF-KAMYIIQDSA-N 0 0 288.435 3.670 20 10 CHCDRN CC(=O)c1ccc(N[C@@H](C)c2ccc(N(C)C)cc2)nc1 ZINC000772295421 1130016111 /nfs/dbraw/zinc/01/61/11/1130016111.db2.gz FQMBXKBVKXOMCT-LBPRGKRZSA-N 0 0 283.375 3.523 20 10 CHCDRN C[C@@H](Nc1ncnc2ccsc21)c1ccc(N(C)C)cc1 ZINC000772301402 1130016883 /nfs/dbraw/zinc/01/68/83/1130016883.db2.gz UDCOBTKTWGLPKU-LLVKDONJSA-N 0 0 298.415 3.930 20 10 CHCDRN C[C@@H]1C[C@@H](CC[NH2+]Cc2cccc(Cl)c2[O-])C[C@H](C)O1 ZINC000802659842 1130028998 /nfs/dbraw/zinc/02/89/98/1130028998.db2.gz OBJBITPAMVNANO-CLLJXQQHSA-N 0 0 297.826 3.729 20 10 CHCDRN CCOc1ccc(CNc2ccc3c(c2)ncn3C)cc1F ZINC000785497658 1130036838 /nfs/dbraw/zinc/03/68/38/1130036838.db2.gz VHAFFVYJZFFPSZ-UHFFFAOYSA-N 0 0 299.349 3.723 20 10 CHCDRN COc1ccc2c(c1)CCCCN2C[C@@H]1CCO[C@H](C)C1 ZINC000785762726 1130054427 /nfs/dbraw/zinc/05/44/27/1130054427.db2.gz XVJNRZJZKHHIPC-HUUCEWRRSA-N 0 0 289.419 3.653 20 10 CHCDRN COc1ccc(N[C@H](C)c2ccc(C)c(C)c2O)cn1 ZINC000785567735 1130042150 /nfs/dbraw/zinc/04/21/50/1130042150.db2.gz PCJRHYGDZJTIGV-GFCCVEGCSA-N 0 0 272.348 3.586 20 10 CHCDRN Cn1c(=O)ccc2ccc(-c3cnc4ccccc4c3)cc21 ZINC001239794715 1130111345 /nfs/dbraw/zinc/11/13/45/1130111345.db2.gz OLQGHKYJINLGNA-UHFFFAOYSA-N 0 0 286.334 3.754 20 10 CHCDRN CCCC(C)(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000786763811 1130116286 /nfs/dbraw/zinc/11/62/86/1130116286.db2.gz HEPVVQCDXLKGJU-UHFFFAOYSA-N 0 0 290.451 3.927 20 10 CHCDRN CN(C)c1ccc(OCc2cccc(OC(F)F)c2)cc1 ZINC000786866193 1130120272 /nfs/dbraw/zinc/12/02/72/1130120272.db2.gz SPWYKOINXUXCDC-UHFFFAOYSA-N 0 0 293.313 3.933 20 10 CHCDRN CC[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc(F)cc1[O-] ZINC000903262495 1130139264 /nfs/dbraw/zinc/13/92/64/1130139264.db2.gz FGWAKKBOLSBLEW-RCBQFDQVSA-N 0 0 295.398 3.513 20 10 CHCDRN C[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccc(Cl)cc1[O-] ZINC000903279836 1130144284 /nfs/dbraw/zinc/14/42/84/1130144284.db2.gz QJTMQIBSDOMJDE-WIZUOIALSA-N 0 0 295.810 3.654 20 10 CHCDRN C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1(C)CCCC1 ZINC000787337634 1130148509 /nfs/dbraw/zinc/14/85/09/1130148509.db2.gz NJLGHLCJXBJZSY-UHFFFAOYSA-N 0 0 298.770 3.718 20 10 CHCDRN CC[C@H]([NH2+]CCc1cccnc1C)c1ccc(F)cc1[O-] ZINC000903417562 1130173417 /nfs/dbraw/zinc/17/34/17/1130173417.db2.gz CQHYKTVDQXDFSM-INIZCTEOSA-N 0 0 288.366 3.518 20 10 CHCDRN Cc1cncc(/C=C\C(=O)N2CCc3cc(Cl)ccc32)c1 ZINC000803481937 1130177503 /nfs/dbraw/zinc/17/75/03/1130177503.db2.gz HRZRKWOJVPSTDX-DJWKRKHSSA-N 0 0 298.773 3.646 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cccc(C(F)(F)F)c1[O-] ZINC000788688281 1130200528 /nfs/dbraw/zinc/20/05/28/1130200528.db2.gz RZCOENMHDPSTHC-DTWKUNHWSA-N 0 0 299.296 3.546 20 10 CHCDRN C[C@@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])c1cn[nH]c1 ZINC000788688285 1130201048 /nfs/dbraw/zinc/20/10/48/1130201048.db2.gz RZCOENMHDPSTHC-RKDXNWHRSA-N 0 0 299.296 3.546 20 10 CHCDRN C=C/C(C)=C\CC(=O)N(CCC)Cc1ccccc1O ZINC000788656586 1130201139 /nfs/dbraw/zinc/20/11/39/1130201139.db2.gz SBJRVWKFEIFTHT-UVTDQMKNSA-N 0 0 273.376 3.653 20 10 CHCDRN CCCn1cc(N[C@@H](C)c2c(C)cc(C)cc2O)cn1 ZINC000788700276 1130202123 /nfs/dbraw/zinc/20/21/23/1130202123.db2.gz BJSFKBODBLJULW-ZDUSSCGKSA-N 0 0 273.380 3.789 20 10 CHCDRN CC(C)c1ccc(NC(=O)NCc2ccccc2O)cc1 ZINC000748439102 1130231944 /nfs/dbraw/zinc/23/19/44/1130231944.db2.gz VPMIHEIPWCZOGX-UHFFFAOYSA-N 0 0 284.359 3.837 20 10 CHCDRN CC[C@@H](C)[C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790956924 1130340833 /nfs/dbraw/zinc/34/08/33/1130340833.db2.gz XPSRVYQQHSLKER-BDAKNGLRSA-N 0 0 259.752 3.709 20 10 CHCDRN CC(C)=CCC[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000790991709 1130340970 /nfs/dbraw/zinc/34/09/70/1130340970.db2.gz PFWDVCAKDVUMLK-UHFFFAOYSA-N 0 0 298.224 3.909 20 10 CHCDRN C[C@H](CCC1CC1)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790990858 1130341975 /nfs/dbraw/zinc/34/19/75/1130341975.db2.gz MJJIMBRFUGQTAR-SECBINFHSA-N 0 0 271.763 3.853 20 10 CHCDRN CC[C@H](C)n1ncc(NCc2ccc(N(C)C)cc2)c1C ZINC000791005679 1130343852 /nfs/dbraw/zinc/34/38/52/1130343852.db2.gz WNFYNEJJXOEEPS-ZDUSSCGKSA-N 0 0 286.423 3.841 20 10 CHCDRN COc1ccc2c(c1)c1c(n2C)CC[N@H+]([C@@H]2CC[C@H](C)C2)C1 ZINC001170152354 1130362049 /nfs/dbraw/zinc/36/20/49/1130362049.db2.gz KQJOUJKBZSGXHW-UONOGXRCSA-N 0 0 298.430 3.734 20 10 CHCDRN COc1cnc(-c2ccc3ccn(C)c3c2)c2[nH]ccc21 ZINC001240570755 1130366391 /nfs/dbraw/zinc/36/63/91/1130366391.db2.gz DBOCBAJMQDBPTG-UHFFFAOYSA-N 0 0 277.327 3.730 20 10 CHCDRN CCOc1cncc(-c2ccc3ccn(C)c3c2)c1 ZINC001240574754 1130367872 /nfs/dbraw/zinc/36/78/72/1130367872.db2.gz BDTRYKGBEKLLQV-UHFFFAOYSA-N 0 0 252.317 3.639 20 10 CHCDRN COc1ccc2nccc(-c3ccc4ccn(C)c4c3)c2n1 ZINC001240574412 1130368248 /nfs/dbraw/zinc/36/82/48/1130368248.db2.gz KIBIMORSWBKPJV-UHFFFAOYSA-N 0 0 289.338 3.797 20 10 CHCDRN COc1nc(C)ccc1-c1ccc2ccn(C)c2c1 ZINC001240575117 1130369138 /nfs/dbraw/zinc/36/91/38/1130369138.db2.gz UERKGZVFUDUJTI-UHFFFAOYSA-N 0 0 252.317 3.557 20 10 CHCDRN CC(C)COc1cnc(-c2ccc3ccn(C)c3c2)cn1 ZINC001240575760 1130369223 /nfs/dbraw/zinc/36/92/23/1130369223.db2.gz AXZLVZZLEAOETC-UHFFFAOYSA-N 0 0 281.359 3.670 20 10 CHCDRN CC(C)[C@H](C)[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000792162450 1130435036 /nfs/dbraw/zinc/43/50/36/1130435036.db2.gz IYDGIJGANIIOJO-VIFPVBQESA-N 0 0 259.752 3.661 20 10 CHCDRN CN(Cc1ccsc1Cl)c1ccc2c(c1)OCO2 ZINC000792174406 1130436031 /nfs/dbraw/zinc/43/60/31/1130436031.db2.gz VEYSXGUAZNKESR-UHFFFAOYSA-N 0 0 281.764 3.767 20 10 CHCDRN C/C(=C\C(=O)N(C)c1ccc(C(C)C)cc1)c1cnccn1 ZINC000827167407 1130456372 /nfs/dbraw/zinc/45/63/72/1130456372.db2.gz XEYUJJGDBHBQRC-SDNWHVSQSA-N 0 0 295.386 3.666 20 10 CHCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](C)CC(C)C)c1 ZINC000103528488 1130483165 /nfs/dbraw/zinc/48/31/65/1130483165.db2.gz QRSGXWHASUCHLM-STQMWFEESA-N 0 0 293.407 3.650 20 10 CHCDRN COc1ccc(N(CCOCC(C)C)CC2CC2)cc1 ZINC001170412395 1130493216 /nfs/dbraw/zinc/49/32/16/1130493216.db2.gz RGYIRUAFVPAFGJ-UHFFFAOYSA-N 0 0 277.408 3.584 20 10 CHCDRN CC(C)Cn1cc(-c2cccc3c2ccn3C)cn1 ZINC001240887323 1130502453 /nfs/dbraw/zinc/50/24/53/1130502453.db2.gz ITOOJXOWFPBKKK-UHFFFAOYSA-N 0 0 253.349 3.698 20 10 CHCDRN COc1ccc(N(C)CCCCCF)cc1Cl ZINC000792872779 1130504338 /nfs/dbraw/zinc/50/43/38/1130504338.db2.gz PIGWPQSAKVWLPI-UHFFFAOYSA-N 0 0 259.752 3.925 20 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BXFPRLKILUFXJY-QGZVFWFLSA-N 0 0 298.338 3.675 20 10 CHCDRN Cn1ccc(C(=O)CSc2ncc(C(C)(C)C)s2)c1 ZINC000759714854 1130671298 /nfs/dbraw/zinc/67/12/98/1130671298.db2.gz XQGHCFZNESFHTJ-UHFFFAOYSA-N 0 0 294.445 3.754 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[C@@H](C)C1 ZINC000780783848 1130691694 /nfs/dbraw/zinc/69/16/94/1130691694.db2.gz JIVJIMGLPBQLDY-UKRRQHHQSA-N 0 0 290.407 3.502 20 10 CHCDRN Oc1ccccc1CN1CCc2c1cccc2Cl ZINC000780774658 1130691766 /nfs/dbraw/zinc/69/17/66/1130691766.db2.gz MPMNKSPGQODYGQ-UHFFFAOYSA-N 0 0 259.736 3.608 20 10 CHCDRN COc1ccc(N(C)Cc2c(O)cccc2Cl)cc1F ZINC000780779565 1130691944 /nfs/dbraw/zinc/69/19/44/1130691944.db2.gz MITURSKQICQZQW-UHFFFAOYSA-N 0 0 295.741 3.830 20 10 CHCDRN CCOc1ccc(N(C)Cc2ccc(COC)cc2)cc1 ZINC000780774180 1130691952 /nfs/dbraw/zinc/69/19/52/1130691952.db2.gz HGRIQOBOKLQOKX-UHFFFAOYSA-N 0 0 285.387 3.868 20 10 CHCDRN COc1ccc(N(C)C[C@@H]2CCO[C@H](C)C2)cc1Cl ZINC000780778469 1130692085 /nfs/dbraw/zinc/69/20/85/1130692085.db2.gz LCGALVIUJAYIMS-VXGBXAGGSA-N 0 0 283.799 3.600 20 10 CHCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1/C=C\c1ccccc1 ZINC000780819602 1130692727 /nfs/dbraw/zinc/69/27/27/1130692727.db2.gz WTXORIIIUWXMBU-CKXPSTMWSA-N 0 0 299.395 3.772 20 10 CHCDRN CC[C@@](C)(NCc1ccc(OC)c(C)c1)C(F)(F)F ZINC000747814112 1130711519 /nfs/dbraw/zinc/71/15/19/1130711519.db2.gz PQLJXTWISCHGGQ-CYBMUJFWSA-N 0 0 275.314 3.824 20 10 CHCDRN CCN(CC)c1ccc(C[NH+]2CC(C3CC3)C2)cc1F ZINC000812776822 1130713038 /nfs/dbraw/zinc/71/30/38/1130713038.db2.gz ZVOKSHANBSVATI-UHFFFAOYSA-N 0 0 276.399 3.514 20 10 CHCDRN Cc1ncn(-c2ccc(NCc3ccccc3O)cc2)c1C ZINC000812784596 1130713836 /nfs/dbraw/zinc/71/38/36/1130713836.db2.gz XYFWVBCKTKTJQO-UHFFFAOYSA-N 0 0 293.370 3.807 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH+]1CC(c2ccccc2F)C1 ZINC000812790607 1130714441 /nfs/dbraw/zinc/71/44/41/1130714441.db2.gz AGMRIQGTLLJCOQ-UHFFFAOYSA-N 0 0 291.753 3.784 20 10 CHCDRN CCOc1ccc(CNc2cnc3c(c2)CCCC3)c(O)c1 ZINC000782217532 1130762977 /nfs/dbraw/zinc/76/29/77/1130762977.db2.gz QSOVYEXDPXBAKD-UHFFFAOYSA-N 0 0 298.386 3.677 20 10 CHCDRN CCCCOC1CN(Cc2ccc(C(C)(C)C)cc2O)C1 ZINC001235685589 1130767489 /nfs/dbraw/zinc/76/74/89/1130767489.db2.gz RNTRWQYGSBNROW-UHFFFAOYSA-N 0 0 291.435 3.691 20 10 CHCDRN C[C@H](NC(=O)CC(C)(C)C(F)(F)F)c1ccccc1O ZINC000827964554 1130778849 /nfs/dbraw/zinc/77/88/49/1130778849.db2.gz PQULEVMYEBIFGU-VIFPVBQESA-N 0 0 289.297 3.548 20 10 CHCDRN Cc1ccc(CCC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000827964371 1130781575 /nfs/dbraw/zinc/78/15/75/1130781575.db2.gz MHBDLSZWEVILQS-LBPRGKRZSA-N 0 0 289.400 3.572 20 10 CHCDRN CN(Cc1cn[nH]c1)c1ccc(OCc2ccccc2)cc1 ZINC000783715685 1130850889 /nfs/dbraw/zinc/85/08/89/1130850889.db2.gz QYJOVYHEWWFSPN-UHFFFAOYSA-N 0 0 293.370 3.625 20 10 CHCDRN Cc1cccc([C@H](C)OC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000784286427 1130896855 /nfs/dbraw/zinc/89/68/55/1130896855.db2.gz LBDKKVWBZGLKIJ-XOVSCCBYSA-N 0 0 298.338 3.724 20 10 CHCDRN CC[C@H]([NH2+]C[C@](C)(O)CCC(C)C)c1ccc(F)cc1[O-] ZINC000796778273 1130930677 /nfs/dbraw/zinc/93/06/77/1130930677.db2.gz JEKKVLYQZWECJJ-DOTOQJQBSA-N 0 0 297.414 3.759 20 10 CHCDRN CC[C@H]([NH2+]C[C@@](C)(O)CCC(C)C)c1ccc(F)cc1[O-] ZINC000796778276 1130930747 /nfs/dbraw/zinc/93/07/47/1130930747.db2.gz JEKKVLYQZWECJJ-RDJZCZTQSA-N 0 0 297.414 3.759 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@H](OC)C(C)(C)C)c1ccc(F)cc1[O-] ZINC000796777691 1130932371 /nfs/dbraw/zinc/93/23/71/1130932371.db2.gz DMMCXKPAZLIQFW-UKRRQHHQSA-N 0 0 283.387 3.633 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1ccc(F)cc1[O-] ZINC000796797538 1130933968 /nfs/dbraw/zinc/93/39/68/1130933968.db2.gz IINYPPKLNRNZRL-BLLLJJGKSA-N 0 0 288.366 3.598 20 10 CHCDRN CC[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000796819798 1130935744 /nfs/dbraw/zinc/93/57/44/1130935744.db2.gz TYFJMZOOGUFYFG-HZPDHXFCSA-N 0 0 295.398 3.513 20 10 CHCDRN CC[C@@H](CSC)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796853992 1130939701 /nfs/dbraw/zinc/93/97/01/1130939701.db2.gz JKKUXDLHGHYFDD-AAEUAGOBSA-N 0 0 271.401 3.714 20 10 CHCDRN CC[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000796893450 1130943441 /nfs/dbraw/zinc/94/34/41/1130943441.db2.gz ZBIITAIWVUAFCS-ZYHUDNBSSA-N 0 0 273.298 3.760 20 10 CHCDRN C[C@H]([NH2+]CCc1ccco1)c1cccc(C(F)(F)F)c1[O-] ZINC000815553613 1130998275 /nfs/dbraw/zinc/99/82/75/1130998275.db2.gz DZLCCHJHSMIGIK-JTQLQIEISA-N 0 0 299.292 3.897 20 10 CHCDRN C[C@@H]([NH2+]CCc1ccco1)c1cccc(C(F)(F)F)c1[O-] ZINC000815553614 1130998530 /nfs/dbraw/zinc/99/85/30/1130998530.db2.gz DZLCCHJHSMIGIK-SNVBAGLBSA-N 0 0 299.292 3.897 20 10 CHCDRN CCc1ccnc(CNC(=S)Nc2cccc(C)c2C)c1 ZINC000797793275 1131003264 /nfs/dbraw/zinc/00/32/64/1131003264.db2.gz PAAIQVZXPMRCAZ-UHFFFAOYSA-N 0 0 299.443 3.747 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)C(C)(C)C ZINC000815630216 1131011602 /nfs/dbraw/zinc/01/16/02/1131011602.db2.gz ZOZKHFLZRQRWQU-UHFFFAOYSA-N 0 0 290.451 3.750 20 10 CHCDRN COc1ccc(C[N@@H+]2CCC[C@H](C)CC2)c([O-])c1Cl ZINC001236801497 1131012217 /nfs/dbraw/zinc/01/22/17/1131012217.db2.gz KHAHLAWEJDDJLQ-NSHDSACASA-N 0 0 283.799 3.676 20 10 CHCDRN C[N@H+](Cc1cc2ccccc2cc1O)C1CC(F)(F)C1 ZINC001236826810 1131016341 /nfs/dbraw/zinc/01/63/41/1131016341.db2.gz NCGNSZHJUPHOFR-UHFFFAOYSA-N 0 0 277.314 3.775 20 10 CHCDRN C[C@@H]1CC[N@H+](Cc2cc3ccccc3cc2O)CC[C@@]1(C)O ZINC001236827944 1131016396 /nfs/dbraw/zinc/01/63/96/1131016396.db2.gz XJKLBNIXGRYKFZ-AUUYWEPGSA-N 0 0 299.414 3.528 20 10 CHCDRN CCCCOC1CN(Cc2cc3ccccc3cc2O)C1 ZINC001236839188 1131017851 /nfs/dbraw/zinc/01/78/51/1131017851.db2.gz FBHYXLKICZPMBN-UHFFFAOYSA-N 0 0 285.387 3.546 20 10 CHCDRN Cc1ccncc1/C=C\C(=O)N1CCCCc2sccc21 ZINC000798046268 1131022997 /nfs/dbraw/zinc/02/29/97/1131022997.db2.gz ADQHOCLKOUBNLR-WAYWQWQTSA-N 0 0 298.411 3.834 20 10 CHCDRN c1csc(SCc2cnc3ccccc3c2)n1 ZINC000798369187 1131033804 /nfs/dbraw/zinc/03/38/04/1131033804.db2.gz SBDCDUSQUMJIQN-UHFFFAOYSA-N 0 0 258.371 3.984 20 10 CHCDRN CC(C)c1ccc(C[N@H+](C)Cc2ccccn2)c(O)c1 ZINC001237045831 1131039687 /nfs/dbraw/zinc/03/96/87/1131039687.db2.gz LJMUURHUNZZBOG-UHFFFAOYSA-N 0 0 270.376 3.543 20 10 CHCDRN CC[N@H+](Cc1ccccn1)Cc1ccc(C(C)C)cc1O ZINC001237048453 1131039829 /nfs/dbraw/zinc/03/98/29/1131039829.db2.gz GJWLMTIDUNVVAH-UHFFFAOYSA-N 0 0 284.403 3.933 20 10 CHCDRN COC[C@H]1CCCC[N@@H+]1Cc1ccc(C(C)C)cc1O ZINC001237046698 1131039856 /nfs/dbraw/zinc/03/98/56/1131039856.db2.gz VQHKCCCKJWNRGR-MRXNPFEDSA-N 0 0 277.408 3.517 20 10 CHCDRN CCCC[N@H+](C)Cc1c([O-])ccc(Cl)c1Cl ZINC001237077488 1131042946 /nfs/dbraw/zinc/04/29/46/1131042946.db2.gz IGKGTRFWAKDZNI-UHFFFAOYSA-N 0 0 262.180 3.931 20 10 CHCDRN Cc1cc(C)cc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001135370298 1131051078 /nfs/dbraw/zinc/05/10/78/1131051078.db2.gz JXRJGCOJAQUKDU-UHFFFAOYSA-N 0 0 296.330 3.718 20 10 CHCDRN CC1(C)CC[N@H+](Cc2c(O)cccc2OC(F)(F)F)C1 ZINC001237110306 1131052059 /nfs/dbraw/zinc/05/20/59/1131052059.db2.gz DTIQPDUHRCPMQS-UHFFFAOYSA-N 0 0 289.297 3.523 20 10 CHCDRN CC(=O)c1cc(F)cc(C[N@@H+](C(C)C)C2CCCC2)c1[O-] ZINC000748049906 1131063055 /nfs/dbraw/zinc/06/30/55/1131063055.db2.gz WWKWKVFCVTZZHP-UHFFFAOYSA-N 0 0 293.382 3.887 20 10 CHCDRN Cc1cc(F)c2[nH]ccc2c1Nc1ccc(N)cc1 ZINC001159484773 1131075922 /nfs/dbraw/zinc/07/59/22/1131075922.db2.gz AIQIVPKKOAAHDO-UHFFFAOYSA-N 0 0 255.296 3.941 20 10 CHCDRN Oc1c(CN(CC(F)F)C2CC2)ccc2ccccc21 ZINC000816507041 1131101945 /nfs/dbraw/zinc/10/19/45/1131101945.db2.gz UMFCBPRMYSRQPJ-UHFFFAOYSA-N 0 0 277.314 3.775 20 10 CHCDRN Cc1cccc(O)c1CN1CCCC[C@H]1C(F)(F)F ZINC001237489821 1131104834 /nfs/dbraw/zinc/10/48/34/1131104834.db2.gz LDWXRQYFJFNOBB-ZDUSSCGKSA-N 0 0 273.298 3.617 20 10 CHCDRN Cc1ccnc(NCc2ccc3ccccc3c2O)c1 ZINC000816536535 1131104972 /nfs/dbraw/zinc/10/49/72/1131104972.db2.gz BSUOOXXUKNXNAZ-UHFFFAOYSA-N 0 0 264.328 3.861 20 10 CHCDRN C[C@H]1CCSCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816591429 1131107993 /nfs/dbraw/zinc/10/79/93/1131107993.db2.gz DUMVEBXPVNMFTR-VIFPVBQESA-N 0 0 289.803 3.512 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(F)cc1 ZINC000816529060 1131108591 /nfs/dbraw/zinc/10/85/91/1131108591.db2.gz FGVCFNZLZGMQTR-UHFFFAOYSA-N 0 0 283.705 3.614 20 10 CHCDRN CCSCC[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816553573 1131109782 /nfs/dbraw/zinc/10/97/82/1131109782.db2.gz AEHWBSBBVZEJIN-SECBINFHSA-N 0 0 291.819 3.806 20 10 CHCDRN O=[N+]([O-])c1cnc(SCC2CCCCC2)s1 ZINC000799933941 1131115887 /nfs/dbraw/zinc/11/58/87/1131115887.db2.gz HCHLNOPOIYDFCT-UHFFFAOYSA-N 0 0 258.368 3.724 20 10 CHCDRN C[C@H]1C[N@H+](Cc2c(F)ccc(F)c2[O-])Cc2ccccc21 ZINC001139683412 1131116688 /nfs/dbraw/zinc/11/66/88/1131116688.db2.gz CWAORRYKIQBFNI-NSHDSACASA-N 0 0 289.325 3.790 20 10 CHCDRN C[N@H+](Cc1ccc(Cl)cc1)Cc1c([O-])c(F)ccc1F ZINC001139684173 1131119953 /nfs/dbraw/zinc/11/99/53/1131119953.db2.gz RNHBFNAGTPYPDN-UHFFFAOYSA-N 0 0 297.732 3.956 20 10 CHCDRN CN(Cc1c(F)cccc1F)Cc1c(O)cccc1Cl ZINC000816651711 1131121191 /nfs/dbraw/zinc/12/11/91/1131121191.db2.gz NSRGYFMVDJQXCP-UHFFFAOYSA-N 0 0 297.732 3.956 20 10 CHCDRN [O-]c1c(Cl)cc(F)cc1C[NH+]1CC(c2ccccc2)C1 ZINC001237798586 1131140641 /nfs/dbraw/zinc/14/06/41/1131140641.db2.gz JLRJMNMBZVYUKO-UHFFFAOYSA-N 0 0 291.753 3.784 20 10 CHCDRN [O-]c1c(Cl)cc(F)cc1C[N@H+](CC1CC1)C1CC1 ZINC001237800713 1131141023 /nfs/dbraw/zinc/14/10/23/1131141023.db2.gz BJWCNBGBAZPRLN-UHFFFAOYSA-N 0 0 269.747 3.559 20 10 CHCDRN [O-]c1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001237799994 1131141087 /nfs/dbraw/zinc/14/10/87/1131141087.db2.gz LTXBOWSFFAQZLU-QWRGUYRKSA-N 0 0 283.774 3.807 20 10 CHCDRN C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc(F)cc(Cl)c1[O-] ZINC001237810073 1131142140 /nfs/dbraw/zinc/14/21/40/1131142140.db2.gz MZYJTVQESRVMDH-NXEZZACHSA-N 0 0 271.763 3.948 20 10 CHCDRN C[N@@H+](Cc1cc(F)cc(Cl)c1[O-])C[C@H]1CC1(C)C ZINC001237805864 1131142296 /nfs/dbraw/zinc/14/22/96/1131142296.db2.gz OSWSSODBVHGHNT-SNVBAGLBSA-N 0 0 271.763 3.663 20 10 CHCDRN [O-]c1c(Cl)cc(F)cc1C[NH+]1CC2(C1)CCCCC2 ZINC001237805723 1131142338 /nfs/dbraw/zinc/14/23/38/1131142338.db2.gz NWPRBMVCDBBGFT-UHFFFAOYSA-N 0 0 283.774 3.951 20 10 CHCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001237948687 1131155149 /nfs/dbraw/zinc/15/51/49/1131155149.db2.gz GKLCIEMLKVGLBA-YGRLFVJLSA-N 0 0 283.774 3.949 20 10 CHCDRN [O-]c1cc(Cl)c(F)cc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001237948684 1131155380 /nfs/dbraw/zinc/15/53/80/1131155380.db2.gz GKLCIEMLKVGLBA-QMTHXVAHSA-N 0 0 283.774 3.949 20 10 CHCDRN C[C@H]1c2cccn2CCN1Cc1cc(F)c(Cl)cc1O ZINC001237949978 1131155523 /nfs/dbraw/zinc/15/55/23/1131155523.db2.gz PSUJRZJDOHDAHN-JTQLQIEISA-N 0 0 294.757 3.563 20 10 CHCDRN Cc1cc(F)cc(C[N@@H+]2CCCC[C@@](C)(F)C2)c1O ZINC001238065646 1131166944 /nfs/dbraw/zinc/16/69/44/1131166944.db2.gz WYCNPFFMCNQXPM-OAHLLOKOSA-N 0 0 269.335 3.554 20 10 CHCDRN CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Cl)cc(C)c2O)CCO1 ZINC000817586057 1131173628 /nfs/dbraw/zinc/17/36/28/1131173628.db2.gz LGSXHHNQROTILH-MRVWCRGKSA-N 0 0 297.826 3.962 20 10 CHCDRN CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CCO1 ZINC000817586307 1131173676 /nfs/dbraw/zinc/17/36/76/1131173676.db2.gz NYRBNQRRXMZZQU-RAIGVLPGSA-N 0 0 283.799 3.654 20 10 CHCDRN CC[C@@H]([NH2+]CCCC1(O)CCC1)c1cccc(Cl)c1[O-] ZINC000817586289 1131174022 /nfs/dbraw/zinc/17/40/22/1131174022.db2.gz NIUFWBRJCHBXMM-CQSZACIVSA-N 0 0 297.826 3.782 20 10 CHCDRN Cc1cc(NCc2c(O)cccc2Cl)nn1C(C)C ZINC000817710079 1131180878 /nfs/dbraw/zinc/18/08/78/1131180878.db2.gz GWRQBFJFFVRTEV-UHFFFAOYSA-N 0 0 279.771 3.744 20 10 CHCDRN C[C@@H]1CC[C@H](CC(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001117507199 1131187460 /nfs/dbraw/zinc/18/74/60/1131187460.db2.gz CZYJIUXQJYYNQH-BDAKNGLRSA-N 0 0 293.754 3.641 20 10 CHCDRN O=C(C[C@@H]1C=CCCC1)Nc1c2nonc2ccc1Cl ZINC001117507889 1131189015 /nfs/dbraw/zinc/18/90/15/1131189015.db2.gz YDVNRUBUELRYRT-SECBINFHSA-N 0 0 291.738 3.561 20 10 CHCDRN Nc1ccc(CCN[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000817958836 1131191445 /nfs/dbraw/zinc/19/14/45/1131191445.db2.gz ZLPXFCHZUOKDSS-HNNXBMFYSA-N 0 0 294.320 3.705 20 10 CHCDRN CCCC[C@H](CN)[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000817963704 1131192421 /nfs/dbraw/zinc/19/24/21/1131192421.db2.gz XENVGSXPEBFCAN-RISCZKNCSA-N 0 0 284.831 3.604 20 10 CHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@H](C)F ZINC000818298396 1131207789 /nfs/dbraw/zinc/20/77/89/1131207789.db2.gz RLTFQGSHVMPUQQ-JTQLQIEISA-N 0 0 294.395 3.634 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1ccc(F)cc1[O-] ZINC000818346063 1131209371 /nfs/dbraw/zinc/20/93/71/1131209371.db2.gz RAMOEKKCPRNBHZ-GMXABZIVSA-N 0 0 263.356 3.618 20 10 CHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@H](C)[C@@H]1C ZINC000818472951 1131215238 /nfs/dbraw/zinc/21/52/38/1131215238.db2.gz SVLNBSZKDRFLEZ-GWCFXTLKSA-N 0 0 288.416 3.636 20 10 CHCDRN COc1ccc(N(CCC(C)C)Cc2cnns2)cc1 ZINC000829352289 1131417604 /nfs/dbraw/zinc/41/76/04/1131417604.db2.gz BTLDAWBYGBSYIW-UHFFFAOYSA-N 0 0 291.420 3.599 20 10 CHCDRN CCc1nccnc1NCc1cc2ccccc2cc1O ZINC001160207977 1131417857 /nfs/dbraw/zinc/41/78/57/1131417857.db2.gz YTBIJFYVKOSWLJ-UHFFFAOYSA-N 0 0 279.343 3.510 20 10 CHCDRN C[N@H+](CCc1ccccc1Cl)Cc1c([O-])cccc1F ZINC001137838822 1131420986 /nfs/dbraw/zinc/42/09/86/1131420986.db2.gz LDABLNKNDYOBFU-UHFFFAOYSA-N 0 0 293.769 3.859 20 10 CHCDRN Cc1cc(CN(C)Cc2ccon2)c(C)n1-c1ccccc1 ZINC001137859218 1131425482 /nfs/dbraw/zinc/42/54/82/1131425482.db2.gz ODJKMXXQLKOTQQ-UHFFFAOYSA-N 0 0 295.386 3.714 20 10 CHCDRN Oc1ccccc1C[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000823753595 1131441057 /nfs/dbraw/zinc/44/10/57/1131441057.db2.gz XEYZVYYMDATPEJ-UHFFFAOYSA-N 0 0 289.419 3.752 20 10 CHCDRN Cc1cnccc1CN(C)c1ccc(OC(C)C)cc1 ZINC000824292582 1131461720 /nfs/dbraw/zinc/46/17/20/1131461720.db2.gz RAFZEMAEVSGIBY-UHFFFAOYSA-N 0 0 270.376 3.814 20 10 CHCDRN CC[N@H+](Cc1cccc(OC)c1)Cc1cccc(F)c1[O-] ZINC001138128659 1131469774 /nfs/dbraw/zinc/46/97/74/1131469774.db2.gz SYNCBENABFNLEB-UHFFFAOYSA-N 0 0 289.350 3.562 20 10 CHCDRN CCCn1ncc(NCc2cccc(C)c2O)c1C1CC1 ZINC000824630008 1131477086 /nfs/dbraw/zinc/47/70/86/1131477086.db2.gz HFLPNNXAHCNKIZ-UHFFFAOYSA-N 0 0 285.391 3.797 20 10 CHCDRN FC1(C2CC2)CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138215799 1131478259 /nfs/dbraw/zinc/47/82/59/1131478259.db2.gz VUGWRLJRMOFKAP-UHFFFAOYSA-N 0 0 288.410 3.611 20 10 CHCDRN Cc1ccc(NC(=O)Nc2nc3ccccc3n2C)cc1C ZINC001202816249 1131478854 /nfs/dbraw/zinc/47/88/54/1131478854.db2.gz DCIVWVBUKNGZNU-UHFFFAOYSA-N 0 0 294.358 3.834 20 10 CHCDRN CC1(C)COC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1O ZINC000825090609 1131498819 /nfs/dbraw/zinc/49/88/19/1131498819.db2.gz CBZIFBXNFUYULV-SFHVURJKSA-N 0 0 297.398 3.574 20 10 CHCDRN COc1cccc([C@H]2C[C@H]([N@H+](C)Cc3ccccc3O)C2)c1 ZINC000825289613 1131505070 /nfs/dbraw/zinc/50/50/70/1131505070.db2.gz BOOOMXMKFKVXCN-QAQDUYKDSA-N 0 0 297.398 3.779 20 10 CHCDRN CCN(C(=O)C1=CC(=O)CS1)[C@H](C)Cc1ccsc1 ZINC000832559038 1131568766 /nfs/dbraw/zinc/56/87/66/1131568766.db2.gz YBIHQFGGWQUBHV-SNVBAGLBSA-N 0 0 295.429 3.609 20 10 CHCDRN Cn1ccc2cc(C[N@H+](C)Cc3ccccc3O)ccc21 ZINC001139192954 1131593514 /nfs/dbraw/zinc/59/35/14/1131593514.db2.gz SKZCOVJJVUUXHT-UHFFFAOYSA-N 0 0 280.371 3.516 20 10 CHCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1cccc(C2CC2)c1 ZINC000833036419 1131601789 /nfs/dbraw/zinc/60/17/89/1131601789.db2.gz BVSSBSPORGBMEQ-SNVBAGLBSA-N 0 0 287.384 3.822 20 10 CHCDRN Nc1ccc(Cc2noc([C@@H]3C[C@H]3C3CCCC3)n2)cc1 ZINC000844905781 1131606658 /nfs/dbraw/zinc/60/66/58/1131606658.db2.gz GFKKAHAMZDCTBP-LSDHHAIUSA-N 0 0 283.375 3.536 20 10 CHCDRN Cc1ccc(C[N@@H+](C)Cc2c(F)ccc(F)c2[O-])cc1 ZINC001139682776 1131627669 /nfs/dbraw/zinc/62/76/69/1131627669.db2.gz BXHBJLYRQSANQC-UHFFFAOYSA-N 0 0 277.314 3.611 20 10 CHCDRN Cc1ccc(CC[N@@H+](C)Cc2c(F)ccc(F)c2[O-])cc1 ZINC001139683645 1131628540 /nfs/dbraw/zinc/62/85/40/1131628540.db2.gz PMJGAIGOPWUGLI-UHFFFAOYSA-N 0 0 291.341 3.653 20 10 CHCDRN CCCC(C)(C)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000845309115 1131628635 /nfs/dbraw/zinc/62/86/35/1131628635.db2.gz BSWBOWVCJDSYAW-UHFFFAOYSA-N 0 0 290.451 3.927 20 10 CHCDRN Cc1cccc(C[N@@H+](C)Cc2c(F)ccc(F)c2[O-])c1 ZINC001139685855 1131628879 /nfs/dbraw/zinc/62/88/79/1131628879.db2.gz ZBINIPMBCVOFEA-UHFFFAOYSA-N 0 0 277.314 3.611 20 10 CHCDRN C[C@H]1CCC[N@H+](Cc2c(F)ccc(F)c2[O-])C[C@H]1C ZINC001139685683 1131629057 /nfs/dbraw/zinc/62/90/57/1131629057.db2.gz SRRCPMKWGHHGFH-WDEREUQCSA-N 0 0 269.335 3.538 20 10 CHCDRN [O-]c1c(F)ccc(F)c1C[NH+]1CCCCCCCC1 ZINC001139686915 1131629181 /nfs/dbraw/zinc/62/91/81/1131629181.db2.gz IHCAHCQUTZZXJV-UHFFFAOYSA-N 0 0 269.335 3.827 20 10 CHCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C1(C2CCC2)CC1 ZINC000846054698 1131685529 /nfs/dbraw/zinc/68/55/29/1131685529.db2.gz DUUAAJHUKLMZLN-UHFFFAOYSA-N 0 0 269.747 3.607 20 10 CHCDRN CC[C@@H]([NH2+]CC1(OC)CCCC1)c1ccc(F)cc1[O-] ZINC000834814134 1131707258 /nfs/dbraw/zinc/70/72/58/1131707258.db2.gz FSASLFJSZQURJW-CQSZACIVSA-N 0 0 281.371 3.531 20 10 CHCDRN C[C@@H]([NH2+]CC1=CCCCC1)c1cc(F)cc(F)c1[O-] ZINC000834837529 1131710087 /nfs/dbraw/zinc/71/00/87/1131710087.db2.gz XERORCKMJUIVCS-SNVBAGLBSA-N 0 0 267.319 3.821 20 10 CHCDRN CN(C[C@@H]1CCCCO1)c1ccc(-c2nccs2)cc1 ZINC000846747981 1131727735 /nfs/dbraw/zinc/72/77/35/1131727735.db2.gz DFMRJZDGTXTSID-HNNXBMFYSA-N 0 0 288.416 3.815 20 10 CHCDRN C[C@@H]([NH2+]CCC1CC(F)(F)C1)c1cc(F)cc(F)c1[O-] ZINC000834909292 1131730249 /nfs/dbraw/zinc/73/02/49/1131730249.db2.gz QMTPIYGEGWSMIG-MRVPVSSYSA-N 0 0 291.288 3.756 20 10 CHCDRN Cc1cccc(CNc2cc3ccsc3cn2)c1O ZINC001160769263 1131745598 /nfs/dbraw/zinc/74/55/98/1131745598.db2.gz DGEYVVVGCLMFDG-UHFFFAOYSA-N 0 0 270.357 3.922 20 10 CHCDRN Oc1cc(Cl)ccc1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001140462433 1131749358 /nfs/dbraw/zinc/74/93/58/1131749358.db2.gz GOKKQKZQLUZEIL-SKDRFNHKSA-N 0 0 287.737 3.523 20 10 CHCDRN CCN(C/C=C\c1ccc(N(C)C)cc1)CC(F)(F)F ZINC000835024655 1131758775 /nfs/dbraw/zinc/75/87/75/1131758775.db2.gz AICLYQJCKSEMDF-WAYWQWQTSA-N 0 0 286.341 3.650 20 10 CHCDRN CC[C@@H](CN(C)c1ccc(-c2nccs2)cc1)OC ZINC000846997103 1131768977 /nfs/dbraw/zinc/76/89/77/1131768977.db2.gz UGHNSQYMRXKOPW-AWEZNQCLSA-N 0 0 276.405 3.671 20 10 CHCDRN CN(C)c1ccc(O[C@@H]2CCc3c2nccc3Cl)cc1 ZINC001227939004 1131772154 /nfs/dbraw/zinc/77/21/54/1131772154.db2.gz IBWGTCIWNPEZMR-OAHLLOKOSA-N 0 0 288.778 3.867 20 10 CHCDRN CN(C)c1ccc(O[C@@H](c2cccnc2)C(F)(F)F)cc1 ZINC001227938868 1131772814 /nfs/dbraw/zinc/77/28/14/1131772814.db2.gz GQOLDRWWPLIUMR-AWEZNQCLSA-N 0 0 296.292 3.830 20 10 CHCDRN CC(C)C[C@@H](NC(=O)c1cccc(O)c1O)c1ccccc1 ZINC001148219928 1131847939 /nfs/dbraw/zinc/84/79/39/1131847939.db2.gz GLALROMXRUVRBC-OAHLLOKOSA-N 0 0 299.370 3.615 20 10 CHCDRN C[C@@H](NC(=O)CC1=CCCCC1)c1ccc(N(C)C)cc1 ZINC000772999209 1131915738 /nfs/dbraw/zinc/91/57/38/1131915738.db2.gz ZMOOIFPTXRFQCJ-CQSZACIVSA-N 0 0 286.419 3.820 20 10 CHCDRN C[C@H](NC(=O)C1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773016905 1131920396 /nfs/dbraw/zinc/92/03/96/1131920396.db2.gz DGLWWLOLZWPCHF-ZDUSSCGKSA-N 0 0 274.408 3.510 20 10 CHCDRN CCC/C(C)=C/C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773023869 1131922754 /nfs/dbraw/zinc/92/27/54/1131922754.db2.gz KWUDROCFDWWDOW-XTZCOPOCSA-N 0 0 274.408 3.676 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1Cl)CC(F)(F)F ZINC001140925272 1131966018 /nfs/dbraw/zinc/96/60/18/1131966018.db2.gz QLSMLDDYQXWFPT-UHFFFAOYSA-N 0 0 294.748 3.790 20 10 CHCDRN Cc1cnc(Cl)nc1NCc1cc2ccccc2cc1O ZINC001171400721 1131969060 /nfs/dbraw/zinc/96/90/60/1131969060.db2.gz YMBVPSUDIWNWIG-UHFFFAOYSA-N 0 0 299.761 3.909 20 10 CHCDRN Cc1cc(N2CCCC2)ccc1NCc1ccccc1O ZINC000036955702 1131982067 /nfs/dbraw/zinc/98/20/67/1131982067.db2.gz ZLZIBDJEDAPUJB-UHFFFAOYSA-N 0 0 282.387 3.913 20 10 CHCDRN C[C@@H]1C[C@H](CC(=O)NCc2ccc(N)cc2)CC(C)(C)C1 ZINC000837303110 1132062317 /nfs/dbraw/zinc/06/23/17/1132062317.db2.gz VJEARMVGAONDRT-UKRRQHHQSA-N 0 0 288.435 3.738 20 10 CHCDRN C[C@H]1C[C@@H](CC(=O)NCc2ccc(N)cc2)CC(C)(C)C1 ZINC000837303111 1132062806 /nfs/dbraw/zinc/06/28/06/1132062806.db2.gz VJEARMVGAONDRT-ZFWWWQNUSA-N 0 0 288.435 3.738 20 10 CHCDRN C[C@H](NC(=O)C/C=C/c1ccc(F)cc1)c1ccccc1O ZINC001171729454 1132085328 /nfs/dbraw/zinc/08/53/28/1132085328.db2.gz CYZSNJGBGREPFO-IHVVCDCBSA-N 0 0 299.345 3.812 20 10 CHCDRN CCN1CC(OC2=CC(=O)C=CC2=NNc2ccccc2)C1 ZINC001229813132 1132120723 /nfs/dbraw/zinc/12/07/23/1132120723.db2.gz FUCNSHLHFZYDCC-VHEBQXMUSA-N 0 0 297.358 3.891 20 10 CHCDRN CCN(CC)c1ccc(CN2CC3(CC(F)C3)C2)cc1F ZINC000839141091 1132184907 /nfs/dbraw/zinc/18/49/07/1132184907.db2.gz YGVMTVCMIZHABT-UHFFFAOYSA-N 0 0 294.389 3.606 20 10 CHCDRN CCC[C@@H](O)CSc1ncc(C(C)(C)C)s1 ZINC000840200689 1132248954 /nfs/dbraw/zinc/24/89/54/1132248954.db2.gz QMBAYIYRHYGORV-SECBINFHSA-N 0 0 259.440 3.694 20 10 CHCDRN CC(C)[C@@H](O)CSc1ncc(C(C)(C)C)s1 ZINC000840201433 1132250897 /nfs/dbraw/zinc/25/08/97/1132250897.db2.gz VQMGXVRLANDBJC-VIFPVBQESA-N 0 0 259.440 3.550 20 10 CHCDRN CC[C@@H]([NH2+][C@H]1C[C@@H](OC(C)C)C1)c1ccc(F)cc1[O-] ZINC000840766157 1132285029 /nfs/dbraw/zinc/28/50/29/1132285029.db2.gz IMNACMOBUPMHIF-VNHYZAJKSA-N 0 0 281.371 3.528 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1ccn(C)n1)c1cc(Cl)ccc1O ZINC000840815782 1132290946 /nfs/dbraw/zinc/29/09/46/1132290946.db2.gz HOVLWYWVEAXIDK-MFKMUULPSA-N 0 0 293.798 3.581 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)[C@@](C)(OC)C1CC1)c1ccc(F)cc1[O-] ZINC000840858660 1132296152 /nfs/dbraw/zinc/29/61/52/1132296152.db2.gz FURVOAHOPLMRLP-XQAQDONZSA-N 0 0 295.398 3.776 20 10 CHCDRN Cc1ccc(-c2noc(-c3nnsc3C3CC3)n2)cc1C ZINC001212679829 1132308135 /nfs/dbraw/zinc/30/81/35/1132308135.db2.gz WXSKPVXOBWEUEH-UHFFFAOYSA-N 0 0 298.371 3.749 20 10 CHCDRN Nc1ccc(NCc2cnc(C3CCCC3)s2)cc1 ZINC000841040457 1132323315 /nfs/dbraw/zinc/32/33/15/1132323315.db2.gz RAZOFCPXYWKXLB-UHFFFAOYSA-N 0 0 273.405 3.995 20 10 CHCDRN CC[C@H](C)[C@@H]1CCCCN1C(=O)Nc1ccc(N)cc1 ZINC000841299389 1132342622 /nfs/dbraw/zinc/34/26/22/1132342622.db2.gz BWUBTYUQFWEFBI-WFASDCNBSA-N 0 0 275.396 3.701 20 10 CHCDRN C[C@H](C1CCCCC1)N(C)C(=O)Nc1ccc(N)cc1 ZINC000841299431 1132343098 /nfs/dbraw/zinc/34/30/98/1132343098.db2.gz KLTMLOLGVSMGIT-GFCCVEGCSA-N 0 0 275.396 3.701 20 10 CHCDRN Cc1cccc([C@H]2CCN(C(=O)Nc3ccc(N)cc3)C2)c1 ZINC000841295785 1132343356 /nfs/dbraw/zinc/34/33/56/1132343356.db2.gz GHNOWUAPRMCQHG-HNNXBMFYSA-N 0 0 295.386 3.599 20 10 CHCDRN CC(C)(CNC(=O)Nc1ccc(N)cc1)C1CCCC1 ZINC000841297921 1132343625 /nfs/dbraw/zinc/34/36/25/1132343625.db2.gz LADKXMMEIQUTFV-UHFFFAOYSA-N 0 0 275.396 3.607 20 10 CHCDRN Nc1ccc(NC(=O)N(CC2CC2)C2CCCCC2)cc1 ZINC000841301346 1132344599 /nfs/dbraw/zinc/34/45/99/1132344599.db2.gz LWGNNGTXJJDTAJ-UHFFFAOYSA-N 0 0 287.407 3.845 20 10 CHCDRN COc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001231854013 1132378457 /nfs/dbraw/zinc/37/84/57/1132378457.db2.gz VOAPIPIECUUKJT-YOEHRIQHSA-N 0 0 288.435 3.526 20 10 CHCDRN Cc1cc(C)c(C[N@H+](C)Cc2nc3ccccc3o2)c(O)c1 ZINC001231849546 1132379967 /nfs/dbraw/zinc/37/99/67/1132379967.db2.gz RGSBDGHWRQEXIW-UHFFFAOYSA-N 0 0 296.370 3.782 20 10 CHCDRN Cc1cc([O-])c(C[N@@H+](CC2CC2)C(C)C)cc1Cl ZINC001231870733 1132385024 /nfs/dbraw/zinc/38/50/24/1132385024.db2.gz QUHCSJVWSPTXDP-UHFFFAOYSA-N 0 0 267.800 3.974 20 10 CHCDRN CC(C)OCCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841744293 1132387830 /nfs/dbraw/zinc/38/78/30/1132387830.db2.gz NQUXWENLBYSADA-LLVKDONJSA-N 0 0 271.788 3.511 20 10 CHCDRN C[C@@H]([NH2+]CC1(CO)CCCCC1)c1ccc(Cl)cc1[O-] ZINC000841747288 1132391027 /nfs/dbraw/zinc/39/10/27/1132391027.db2.gz AEWFZRHUDOKJOR-GFCCVEGCSA-N 0 0 297.826 3.639 20 10 CHCDRN C[C@H]([NH2+]CC1CC(F)(F)C1)c1ccc(Cl)cc1[O-] ZINC000841753020 1132391754 /nfs/dbraw/zinc/39/17/54/1132391754.db2.gz DNTIQEFEJZPQSX-QMMMGPOBSA-N 0 0 275.726 3.742 20 10 CHCDRN C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841757138 1132393402 /nfs/dbraw/zinc/39/34/02/1132393402.db2.gz FBGDOQRBEMRFLQ-GHMZBOCLSA-N 0 0 283.799 3.511 20 10 CHCDRN Cc1ncsc1CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841758525 1132393523 /nfs/dbraw/zinc/39/35/23/1132393523.db2.gz SRLLMTVDTYYTFF-VIFPVBQESA-N 0 0 296.823 3.704 20 10 CHCDRN Cc1ncsc1CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841758518 1132394221 /nfs/dbraw/zinc/39/42/21/1132394221.db2.gz SRLLMTVDTYYTFF-SECBINFHSA-N 0 0 296.823 3.704 20 10 CHCDRN C[C@H]([NH2+]C[C@]1(C)CCCS1)c1ccc(Cl)cc1[O-] ZINC000841758325 1132394397 /nfs/dbraw/zinc/39/43/97/1132394397.db2.gz LDBHMYCGPAPWDQ-HZMBPMFUSA-N 0 0 285.840 3.982 20 10 CHCDRN CSCC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841761910 1132396413 /nfs/dbraw/zinc/39/64/13/1132396413.db2.gz HRWJXQBKMDLJPX-UWVGGRQHSA-N 0 0 273.829 3.838 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001231910660 1132398159 /nfs/dbraw/zinc/39/81/59/1132398159.db2.gz PVKIDHUHTUYLHW-NEPJUHHUSA-N 0 0 265.784 3.668 20 10 CHCDRN C[C@@]1(F)CCCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231910614 1132399987 /nfs/dbraw/zinc/39/99/87/1132399987.db2.gz PGKFIFBTKBZPFW-CQSZACIVSA-N 0 0 271.763 3.760 20 10 CHCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCCC2(CCCC2)C1 ZINC001142508553 1132403573 /nfs/dbraw/zinc/40/35/73/1132403573.db2.gz CQHRMGIRFZIDJO-UHFFFAOYSA-N 0 0 281.346 3.827 20 10 CHCDRN [O-]c1cc(F)c(F)cc1C[NH+]1C2CCCC1CCC2 ZINC001142531455 1132404510 /nfs/dbraw/zinc/40/45/10/1132404510.db2.gz 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1132595312 /nfs/dbraw/zinc/59/53/12/1132595312.db2.gz COFWWXVBKSAFDG-UHFFFAOYSA-N 0 0 282.387 3.601 20 10 CHCDRN [O-]c1ccc(F)c(F)c1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001233335365 1132603553 /nfs/dbraw/zinc/60/35/53/1132603553.db2.gz RWALIQPJWUGOOP-RISCZKNCSA-N 0 0 281.346 3.825 20 10 CHCDRN Cc1ccccc1C[N@@H+](C)Cc1c([O-])ccc(F)c1F ZINC001233334438 1132604211 /nfs/dbraw/zinc/60/42/11/1132604211.db2.gz GZUIYVZDFYWVFF-UHFFFAOYSA-N 0 0 277.314 3.611 20 10 CHCDRN C[C@@H]1CC[N@H+](Cc2c([O-])ccc(F)c2F)CCC1(F)F ZINC001233332202 1132604366 /nfs/dbraw/zinc/60/43/66/1132604366.db2.gz CDAKXSJPSHYFJM-SECBINFHSA-N 0 0 291.288 3.538 20 10 CHCDRN Oc1cccc2c1C[N@H+](Cc1cc3cccnc3s1)CC2 ZINC001233349370 1132608804 /nfs/dbraw/zinc/60/88/04/1132608804.db2.gz PEHNNWQFYAKVTL-UHFFFAOYSA-N 0 0 296.395 3.560 20 10 CHCDRN COc1ccc(C(C)C)cc1Nc1cccc(O)c1O ZINC001173915777 1132611473 /nfs/dbraw/zinc/61/14/73/1132611473.db2.gz XWXZHEMWRWXPEY-UHFFFAOYSA-N 0 0 273.332 3.973 20 10 CHCDRN 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1132910365 /nfs/dbraw/zinc/91/03/65/1132910365.db2.gz DGBUXZQYPLCRCU-UHFFFAOYSA-N 0 0 270.332 3.579 20 10 CHCDRN COc1ccc(C(C)=O)c(Nc2ccc3c(c2)CCCN3)c1 ZINC001159813470 1132911925 /nfs/dbraw/zinc/91/19/25/1132911925.db2.gz LGDQONVSFCYNOH-UHFFFAOYSA-N 0 0 296.370 4.000 20 10 CHCDRN CNc1ccc(Nc2ccc(C(=O)OC)c(C)c2)cc1 ZINC001159828960 1132914056 /nfs/dbraw/zinc/91/40/56/1132914056.db2.gz LWQBTSSYCCHEPI-UHFFFAOYSA-N 0 0 270.332 3.567 20 10 CHCDRN CNc1ccc(Nc2c(Cl)cccc2CO)cc1 ZINC001159828641 1132914324 /nfs/dbraw/zinc/91/43/24/1132914324.db2.gz GYRWKMREXVECDI-UHFFFAOYSA-N 0 0 262.740 3.618 20 10 CHCDRN Oc1cccc(Nc2cccc(C(F)F)c2)c1O ZINC001174621024 1132928701 /nfs/dbraw/zinc/92/87/01/1132928701.db2.gz BYGHALVAPPZQJZ-UHFFFAOYSA-N 0 0 251.232 3.779 20 10 CHCDRN Nc1ccc(Nc2ccccc2OCC2CC2)cc1 ZINC001160241728 1132951349 /nfs/dbraw/zinc/95/13/49/1132951349.db2.gz MOGOKXBDCVECDY-UHFFFAOYSA-N 0 0 254.333 3.801 20 10 CHCDRN Cc1cccc(CNC(F)(F)c2ccc(Cl)nc2)c1O ZINC001160764491 1132980190 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Cc1ccsc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886512667 1125682631 /nfs/dbraw/zinc/68/26/31/1125682631.db2.gz KTYQAKFMEINFDO-JTQLQIEISA-N 0 0 265.353 3.752 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)Cc1ccc(O)cc1)c1c([O-])cccc1F ZINC000886522250 1125683282 /nfs/dbraw/zinc/68/32/82/1125683282.db2.gz FVYNJCFRNZTCJE-NWDGAFQWSA-N 0 0 289.350 3.519 20 10 CHCDRN COc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)c(C)c1 ZINC000886551776 1125689879 /nfs/dbraw/zinc/68/98/79/1125689879.db2.gz OHAQPDBMDCAUDB-GFCCVEGCSA-N 0 0 289.350 3.699 20 10 CHCDRN CC(C)OC1CCC([NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886555026 1125689973 /nfs/dbraw/zinc/68/99/73/1125689973.db2.gz JBHSQKWSHHKEIT-HSBZDZAISA-N 0 0 295.398 3.918 20 10 CHCDRN C[C@H]([NH2+]C1(c2ccccc2)CC1)c1c([O-])cccc1F ZINC000886572108 1125691224 /nfs/dbraw/zinc/69/12/24/1125691224.db2.gz YNDHQSGWZDVING-LBPRGKRZSA-N 0 0 271.335 3.871 20 10 CHCDRN CC[C@@H](CC(F)(F)F)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886589995 1125694062 /nfs/dbraw/zinc/69/40/62/1125694062.db2.gz LIYHFOYGFAFUTQ-BDAKNGLRSA-N 0 0 279.277 3.913 20 10 CHCDRN Cc1cc(Cl)nc(C[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886606671 1125697173 /nfs/dbraw/zinc/69/71/73/1125697173.db2.gz CZCMMJAZPLLRTQ-SNVBAGLBSA-N 0 0 294.757 3.739 20 10 CHCDRN CCCc1nc(C)c(C[NH2+][C@@H](C)c2c([O-])cccc2F)o1 ZINC000886613842 1125698665 /nfs/dbraw/zinc/69/86/65/1125698665.db2.gz GHOOFUNWMQGYFW-NSHDSACASA-N 0 0 292.354 3.631 20 10 CHCDRN Cc1ccc(O)c([C@H](C)Nc2cccc(CCCO)c2)c1 ZINC000139031502 1125719428 /nfs/dbraw/zinc/71/94/28/1125719428.db2.gz JXWKSVSJNXQABN-AWEZNQCLSA-N 0 0 285.387 3.799 20 10 CHCDRN CC(=O)CCCCSc1ncc(-c2ccccc2)n1C ZINC000122099277 1125783367 /nfs/dbraw/zinc/78/33/67/1125783367.db2.gz AEVISYYSYPWTJD-UHFFFAOYSA-N 0 0 288.416 3.939 20 10 CHCDRN COc1ccc(N(CCCOC(C)C)CC(C)C)cc1 ZINC000741781118 1129451722 /nfs/dbraw/zinc/45/17/22/1129451722.db2.gz KTRGTEHYDVAJKQ-UHFFFAOYSA-N 0 0 279.424 3.973 20 10 CHCDRN CSC[C@@H](C)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000798181869 1129826796 /nfs/dbraw/zinc/82/67/96/1129826796.db2.gz AOUQHIUNKHORJN-RKDXNWHRSA-N 0 0 293.354 3.813 20 10 CHCDRN CC(C)(C)c1cnc(SCc2cnn(CCF)c2)s1 ZINC000901509666 1129932327 /nfs/dbraw/zinc/93/23/27/1129932327.db2.gz PAGZARPUWLNSMA-UHFFFAOYSA-N 0 0 299.440 3.899 20 10 CHCDRN COc1ccc2c(c1)CCN2Cc1ccc(Cl)o1 ZINC000772598312 1130031821 /nfs/dbraw/zinc/03/18/21/1130031821.db2.gz KVHOXKRATWXBCS-UHFFFAOYSA-N 0 0 263.724 3.504 20 10 CHCDRN CC[C@H](NCc1ccc(N(CC)CC)cc1)C(F)(F)F ZINC000786836613 1130117809 /nfs/dbraw/zinc/11/78/09/1130117809.db2.gz NJICWDXGJCTNDF-AWEZNQCLSA-N 0 0 288.357 3.963 20 10 CHCDRN Cc1occc1C[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000179839764 1126834708 /nfs/dbraw/zinc/83/47/08/1126834708.db2.gz FVECQIVHIDKFHN-UHFFFAOYSA-N 0 0 265.740 3.579 20 10 CHCDRN CC(C)c1cccc(NCc2cc3c(cc2O)OCO3)c1 ZINC000042879482 1126838540 /nfs/dbraw/zinc/83/85/40/1126838540.db2.gz UHYWSPNYFIWCMO-UHFFFAOYSA-N 0 0 285.343 3.856 20 10 CHCDRN Nc1ccc(Cc2noc([C@@H]3C[C@@H]4CCCC[C@H]34)n2)cc1 ZINC000904505556 1126855264 /nfs/dbraw/zinc/85/52/64/1126855264.db2.gz YTOFVOPXHWIAET-AEGPPILISA-N 0 0 283.375 3.536 20 10 CHCDRN CCN(C)c1ccc([C@@H](C)Nc2cnn(CC)c2)cc1 ZINC000183373328 1126885722 /nfs/dbraw/zinc/88/57/22/1126885722.db2.gz RMLDJMHQUMJZAM-CYBMUJFWSA-N 0 0 272.396 3.532 20 10 CHCDRN C[C@H](Nc1ccc(O[C@H]2CCOC2)cc1)c1ccccc1O ZINC000183660716 1126889530 /nfs/dbraw/zinc/88/95/30/1126889530.db2.gz VDXPUVUJSOKSFM-BBRMVZONSA-N 0 0 299.370 3.733 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)c1ccc(F)cc1[O-])c1ccncc1 ZINC000185541020 1126900597 /nfs/dbraw/zinc/90/05/97/1126900597.db2.gz MVJKWRSYELLVFW-IAQYHMDHSA-N 0 0 274.339 3.728 20 10 CHCDRN CCOCCC1(C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000187802712 1126914535 /nfs/dbraw/zinc/91/45/35/1126914535.db2.gz PGJHNDPFLVEXIT-NSHDSACASA-N 0 0 299.361 3.528 20 10 CHCDRN C[C@@H]([NH2+]CC1(C2CC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000187804122 1126914933 /nfs/dbraw/zinc/91/49/33/1126914933.db2.gz AOFNLSBXKRNLSA-SECBINFHSA-N 0 0 267.319 3.511 20 10 CHCDRN C[C@H]([NH2+]CC1(C2CC2)CC1)c1ccc(F)c(F)c1[O-] ZINC000187804105 1126914962 /nfs/dbraw/zinc/91/49/62/1126914962.db2.gz AOFNLSBXKRNLSA-VIFPVBQESA-N 0 0 267.319 3.511 20 10 CHCDRN Cc1ccc([C@H](C)Nc2ccc(OC3COC3)cc2)c(O)c1 ZINC000188656250 1126924582 /nfs/dbraw/zinc/92/45/82/1126924582.db2.gz CVOAOMDJDRLDND-ZDUSSCGKSA-N 0 0 299.370 3.651 20 10 CHCDRN Cn1ccc2ccc(-c3cnc(C(F)(F)F)cn3)cc21 ZINC001240571062 1126938969 /nfs/dbraw/zinc/93/89/69/1126938969.db2.gz SIXWUKGFYKSFQO-UHFFFAOYSA-N 0 0 277.249 3.654 20 10 CHCDRN CC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000192841665 1126964689 /nfs/dbraw/zinc/96/46/89/1126964689.db2.gz GDNKLPMUSLGTEM-SDBXPKJASA-N 0 0 292.206 3.511 20 10 CHCDRN C[C@@H](CCC(=O)NCc1ccccc1O)c1ccccc1 ZINC000269718579 1127045589 /nfs/dbraw/zinc/04/55/89/1127045589.db2.gz RBERKZXYMSBEML-AWEZNQCLSA-N 0 0 283.371 3.592 20 10 CHCDRN C[C@@H]([NH2+]Cc1ccc(Cl)o1)c1ccc(F)cc1[O-] ZINC000698085003 1127061506 /nfs/dbraw/zinc/06/15/06/1127061506.db2.gz JJKKWOPHIAEGBP-MRVPVSSYSA-N 0 0 269.703 3.629 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCCc2cn[nH]c21)c1ccc(N(C)C)cc1 ZINC000271429302 1127080710 /nfs/dbraw/zinc/08/07/10/1127080710.db2.gz AWFGVTZZPMBLSK-DLBZAZTESA-N 0 0 298.434 3.594 20 10 CHCDRN Cc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816529099 1131108056 /nfs/dbraw/zinc/10/80/56/1131108056.db2.gz GOLUCOLCVAVGTJ-UHFFFAOYSA-N 0 0 279.742 3.783 20 10 CHCDRN Oc1cc(F)c(Cl)cc1CNc1ccc(Cl)nc1 ZINC000816564782 1131110873 /nfs/dbraw/zinc/11/08/73/1131110873.db2.gz PSQGBGMZNCKWED-UHFFFAOYSA-N 0 0 287.121 3.845 20 10 CHCDRN C[C@@H](N[C@H](C)c1c(F)cncc1F)c1cc(F)ccc1O ZINC000285773612 1127242319 /nfs/dbraw/zinc/24/23/19/1127242319.db2.gz UFBXYZMTMZTAQH-RKDXNWHRSA-N 0 0 296.292 3.616 20 10 CHCDRN CC[C@H]([NH2+]Cc1ccc(Cl)nc1)c1ccc(F)cc1[O-] ZINC000286109871 1127258552 /nfs/dbraw/zinc/25/85/52/1127258552.db2.gz NPKCQISKASSRGF-ZDUSSCGKSA-N 0 0 294.757 3.821 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(F)cc1[O-] ZINC000286153104 1127261228 /nfs/dbraw/zinc/26/12/28/1127261228.db2.gz PMZHGUGCGDVRTH-LJIGWXMPSA-N 0 0 293.382 3.530 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)[C@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000286202295 1127262510 /nfs/dbraw/zinc/26/25/10/1127262510.db2.gz RKKXCYLQEOIEMH-DIOULYMOSA-N 0 0 281.371 3.530 20 10 CHCDRN CC[C@@H]([NH2+]CC1(SC)CC1)c1cccc(Cl)c1[O-] ZINC000287092794 1127288595 /nfs/dbraw/zinc/28/85/95/1127288595.db2.gz PNQSQWCQXBICQN-GFCCVEGCSA-N 0 0 285.840 3.982 20 10 CHCDRN CC[C@H](N[C@@H](C1CC1)C(F)(F)F)c1ccccc1O ZINC000287427316 1127305003 /nfs/dbraw/zinc/30/50/03/1127305003.db2.gz SQYLXIDMXQMGMX-AAEUAGOBSA-N 0 0 273.298 3.774 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1cccc(Cl)c1[O-] ZINC000287606889 1127311303 /nfs/dbraw/zinc/31/13/03/1127311303.db2.gz IXSURRNZJNONCG-CQDKDKBSSA-N 0 0 297.826 3.637 20 10 CHCDRN CC[C@@H]([NH2+]C1CC(F)(F)C1)c1cccc(Cl)c1[O-] ZINC000287656029 1127312214 /nfs/dbraw/zinc/31/22/14/1127312214.db2.gz LKRFYVVIMUCGAH-LLVKDONJSA-N 0 0 275.726 3.884 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC1(C)C ZINC000287798393 1127313793 /nfs/dbraw/zinc/31/37/93/1127313793.db2.gz BYQGKVBFJVOOIK-HNNXBMFYSA-N 0 0 290.407 3.502 20 10 CHCDRN CCC[C@H](CCO)C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287886560 1127314424 /nfs/dbraw/zinc/31/44/24/1127314424.db2.gz YSRYBDSYGGPCBZ-DOMZBBRYSA-N 0 0 299.842 3.885 20 10 CHCDRN CC[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000760908510 1127326150 /nfs/dbraw/zinc/32/61/50/1127326150.db2.gz VZRBDKQVUINIRJ-WPRPVWTQSA-N 0 0 279.277 3.913 20 10 CHCDRN CN1CCCc2cc(CNc3ccccc3[N+](=O)[O-])ccc21 ZINC000058555672 1127359079 /nfs/dbraw/zinc/35/90/79/1127359079.db2.gz RFDAIVUVQPFYHX-UHFFFAOYSA-N 0 0 297.358 3.589 20 10 CHCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1ccncc1 ZINC000157836150 1127396982 /nfs/dbraw/zinc/39/69/82/1127396982.db2.gz JWAYVVRNFZYLLB-UHFFFAOYSA-N 0 0 290.313 3.636 20 10 CHCDRN CC(=O)Nc1cccc(NCc2cccc(Cl)c2O)c1 ZINC000158040153 1127416202 /nfs/dbraw/zinc/41/62/02/1127416202.db2.gz MCQXWDYLLSGIEV-UHFFFAOYSA-N 0 0 290.750 3.616 20 10 CHCDRN CC[N@H+](CCC1CC1)Cc1c(O)cccc1Cl ZINC000761225405 1127550366 /nfs/dbraw/zinc/55/03/66/1127550366.db2.gz GWPSAFYOPKAPCZ-UHFFFAOYSA-N 0 0 253.773 3.668 20 10 CHCDRN C[C@H]1CCC[C@@H]([NH2+]Cc2c([O-])cccc2F)CC1 ZINC001308947532 1127597928 /nfs/dbraw/zinc/59/79/28/1127597928.db2.gz GDGPWNYCHZXVBX-NWDGAFQWSA-N 0 0 251.345 3.590 20 10 CHCDRN Oc1ccc(Br)cc1C[NH2+]CCC1=CCCC1 ZINC000229200958 1127659955 /nfs/dbraw/zinc/65/99/55/1127659955.db2.gz QIELVDHJACNTFP-UHFFFAOYSA-N 0 0 296.208 3.745 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)CCCCO)c1cccc(Cl)c1[O-] ZINC000296419313 1127671624 /nfs/dbraw/zinc/67/16/24/1127671624.db2.gz LGVAJLFECKXRBP-SMDDNHRTSA-N 0 0 285.815 3.637 20 10 CHCDRN CC/C=C(/C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000061432663 1127693784 /nfs/dbraw/zinc/69/37/84/1127693784.db2.gz IHFZKXHJWUURDG-CHHVJCJISA-N 0 0 286.419 3.649 20 10 CHCDRN CCN(CC)c1ccc(CNc2cnn(C(C)C)c2)cc1 ZINC000061682798 1127710614 /nfs/dbraw/zinc/71/06/14/1127710614.db2.gz CAAFSAQUHLIOCU-UHFFFAOYSA-N 0 0 286.423 3.922 20 10 CHCDRN Cc1cc(CCNC(=O)CC(C)C)c(C)n1-c1ccccc1 ZINC000062576712 1127760793 /nfs/dbraw/zinc/76/07/93/1127760793.db2.gz AAMGXZOJWFMYSG-UHFFFAOYSA-N 0 0 298.430 3.799 20 10 CHCDRN Cc1cccc(CC[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000062748444 1127773758 /nfs/dbraw/zinc/77/37/58/1127773758.db2.gz UNHNIDFZDMPVHJ-CYBMUJFWSA-N 0 0 273.351 3.733 20 10 CHCDRN CC[N@H+](Cc1ccc(F)cc1)Cc1c([O-])ccc(F)c1F ZINC001233335495 1127951970 /nfs/dbraw/zinc/95/19/70/1127951970.db2.gz XXYDMUTTZHITMD-UHFFFAOYSA-N 0 0 295.304 3.832 20 10 CHCDRN Cc1ccccc1[C@@H](C)OC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000784285839 1127958430 /nfs/dbraw/zinc/95/84/30/1127958430.db2.gz FFSYQMXUTCUVEW-AORWBKJGSA-N 0 0 298.338 3.724 20 10 CHCDRN CC(C)C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000134902154 1128074439 /nfs/dbraw/zinc/07/44/39/1128074439.db2.gz DBMVYKJIVZZHHN-MRVPVSSYSA-N 0 0 290.176 3.600 20 10 CHCDRN CCCN(CCC)c1ccc(CNc2nncs2)cc1 ZINC000777507802 1128096448 /nfs/dbraw/zinc/09/64/48/1128096448.db2.gz 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CHCDRN CCCCCCNC(=O)N(CCC)Cc1ccccc1O ZINC000066687904 1120050266 /nfs/dbraw/zinc/05/02/66/1120050266.db2.gz VEIUGZMZROXIMH-UHFFFAOYSA-N 0 0 292.423 3.894 20 10 CHCDRN C[C@@H]([NH2+][C@H](C)c1cc(Cl)ccc1O)c1cncs1 ZINC000903310821 1120080525 /nfs/dbraw/zinc/08/05/25/1120080525.db2.gz LNNVMHKFUKTLTM-RKDXNWHRSA-N 0 0 282.796 3.914 20 10 CHCDRN CC1(C)C[N@H+](Cc2cccc(Cl)c2[O-])C1(C)C ZINC001116481999 1120129606 /nfs/dbraw/zinc/12/96/06/1120129606.db2.gz AXRJURVUAAAHCP-UHFFFAOYSA-N 0 0 253.773 3.666 20 10 CHCDRN COc1ccc(C[N@@H+]2CCCC[C@H](C)C2)c([O-])c1Cl ZINC001236803496 1128895040 /nfs/dbraw/zinc/89/50/40/1128895040.db2.gz UZKAWRNLBATWDE-NSHDSACASA-N 0 0 283.799 3.676 20 10 CHCDRN CCCN(Cc1ccc(C)cc1)C(=O)Cc1ccc(N)cc1 ZINC000314334396 1120186462 /nfs/dbraw/zinc/18/64/62/1120186462.db2.gz JKMADCSZBGZVOZ-UHFFFAOYSA-N 0 0 296.414 3.559 20 10 CHCDRN Cc1nnc(Sc2nccs2)n1[C@@H]1CCC[C@@H](C)C1 ZINC000893013580 1120198804 /nfs/dbraw/zinc/19/88/04/1120198804.db2.gz KYQDYSZOMAXCEV-MWLCHTKSSA-N 0 0 294.449 3.945 20 10 CHCDRN COc1cccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756355048 1120246302 /nfs/dbraw/zinc/24/63/02/1120246302.db2.gz GIGPMQYDGODALJ-JTQLQIEISA-N 0 0 293.313 3.530 20 10 CHCDRN C[C@H](NC(=O)[C@@H]1C[C@H]1C(C)(C)C)c1ccc(N(C)C)cc1 ZINC001128246872 1120311733 /nfs/dbraw/zinc/31/17/33/1120311733.db2.gz LBCLNXXIXDQETG-APHBMKBZSA-N 0 0 288.435 3.612 20 10 CHCDRN C[C@@H]1C[C@@H]([NH2+]CCOC2CCCC2)c2c1c(F)ccc2O ZINC000756491566 1120381170 /nfs/dbraw/zinc/38/11/70/1120381170.db2.gz VXBSYPOTCMNUQN-BXUZGUMPSA-N 0 0 293.382 3.628 20 10 CHCDRN Cc1ncc(/C=C/C(=O)N2CCC=Cc3ccccc32)s1 ZINC000188244621 1120449859 /nfs/dbraw/zinc/44/98/59/1120449859.db2.gz PXPPZUBVFZICAN-MDZDMXLPSA-N 0 0 296.395 3.915 20 10 CHCDRN CC1(C)C(C)(C)C1(C)C(=O)NCc1cc(Cl)ccc1O ZINC001300396011 1120477333 /nfs/dbraw/zinc/47/73/33/1120477333.db2.gz IQUQJFRVCYHGEO-UHFFFAOYSA-N 0 0 295.810 3.734 20 10 CHCDRN C[C@H](NC(=O)CCCc1cccs1)c1ccccc1O ZINC000827984814 1120504453 /nfs/dbraw/zinc/50/44/53/1120504453.db2.gz FRZJGCAKYFGZJJ-LBPRGKRZSA-N 0 0 289.400 3.654 20 10 CHCDRN c1cncc(NCc2ccc(N3CCCCC3)cc2)c1 ZINC000020086066 1120581725 /nfs/dbraw/zinc/58/17/25/1120581725.db2.gz HPJRKTJXYDTQRG-UHFFFAOYSA-N 0 0 267.376 3.684 20 10 CHCDRN CN(C[C@H]1CCOC1)c1ccc(OCc2ccccc2)cc1 ZINC000781960072 1120657435 /nfs/dbraw/zinc/65/74/35/1120657435.db2.gz BGRMQWJMTSTHGH-QGZVFWFLSA-N 0 0 297.398 3.738 20 10 CHCDRN Cc1ncccc1/C=C/C(=O)N1CCCCc2sccc21 ZINC001128538505 1120670850 /nfs/dbraw/zinc/67/08/50/1120670850.db2.gz NOYOBELOSKFCBH-BQYQJAHWSA-N 0 0 298.411 3.834 20 10 CHCDRN CC[C@H]([NH2+]C[C@H](C)c1ccncc1)c1ccc(F)cc1[O-] ZINC000796798990 1120817611 /nfs/dbraw/zinc/81/76/11/1120817611.db2.gz OVJCQKMDURIZIS-LRDDRELGSA-N 0 0 288.366 3.771 20 10 CHCDRN CCN(CC)c1ccc(CNCC(F)(F)C(F)F)cc1 ZINC000191779532 1128952918 /nfs/dbraw/zinc/95/29/18/1128952918.db2.gz NGHNXZQSIDQZKY-UHFFFAOYSA-N 0 0 292.320 3.523 20 10 CHCDRN Cc1cnc(CNC(=S)Nc2c(C)cccc2C)c(C)c1 ZINC000243002699 1128953514 /nfs/dbraw/zinc/95/35/14/1128953514.db2.gz HVCJHVAVDYOVBW-UHFFFAOYSA-N 0 0 299.443 3.802 20 10 CHCDRN Cc1cccc(C)c1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000053984475 1120994919 /nfs/dbraw/zinc/99/49/19/1120994919.db2.gz LKXYCAFYRKWNLY-UHFFFAOYSA-N 0 0 297.402 3.691 20 10 CHCDRN Cc1ccc(/C=C/C(=O)N2CCSc3ccccc32)cn1 ZINC000779471214 1128955077 /nfs/dbraw/zinc/95/50/77/1128955077.db2.gz CQOORGJAXGSMEJ-CMDGGOBGSA-N 0 0 296.395 3.542 20 10 CHCDRN [O-]c1ccc(Cl)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001237077810 1128965076 /nfs/dbraw/zinc/96/50/76/1128965076.db2.gz KJVQZDMWFARTQD-AOOOYVTPSA-N 0 0 286.202 3.931 20 10 CHCDRN CCOc1cc(F)c(N(C)c2ccc(N)cc2)cc1F ZINC001175057718 1121143792 /nfs/dbraw/zinc/14/37/92/1121143792.db2.gz FUBUELXZDAWNQC-UHFFFAOYSA-N 0 0 278.302 3.714 20 10 CHCDRN CC(C)C[N@H+](Cc1ccccn1)Cc1cccc(F)c1[O-] ZINC001207630442 1121192281 /nfs/dbraw/zinc/19/22/81/1121192281.db2.gz BZLKLCZSLIKCMV-UHFFFAOYSA-N 0 0 288.366 3.585 20 10 CHCDRN Fc1cnccc1NCc1ccc(N2CCCCC2)cc1 ZINC000192149074 1128972815 /nfs/dbraw/zinc/97/28/15/1128972815.db2.gz ONLOMLNRHOUCTI-UHFFFAOYSA-N 0 0 285.366 3.823 20 10 CHCDRN CC[C@@H]1C[C@H]1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001129035882 1121334401 /nfs/dbraw/zinc/33/44/01/1121334401.db2.gz HHOCLILIRWXCIL-WBVHZDCISA-N 0 0 296.414 3.870 20 10 CHCDRN COc1ccc([C@H](C)[N@H+](C)Cc2c([O-])cccc2F)cc1 ZINC001137838670 1121421257 /nfs/dbraw/zinc/42/12/57/1121421257.db2.gz GWTWHTPIIKMICB-LBPRGKRZSA-N 0 0 289.350 3.733 20 10 CHCDRN Cc1n[nH]c(C[N@H+](Cc2ccccc2O)C2CCCC2)c1C ZINC000894016572 1121455780 /nfs/dbraw/zinc/45/57/80/1121455780.db2.gz GFSRCBXBKIPQOT-UHFFFAOYSA-N 0 0 299.418 3.677 20 10 CHCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])[C@]12C[C@H]1CCCC2 ZINC000708864833 1121466059 /nfs/dbraw/zinc/46/60/59/1121466059.db2.gz GUFUIARXUKNYBG-IETSOEAISA-N 0 0 281.346 3.729 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC=CCC1 ZINC000282536369 1121531589 /nfs/dbraw/zinc/53/15/89/1121531589.db2.gz QZTXUORKJCVEHQ-OAHLLOKOSA-N 0 0 287.403 3.877 20 10 CHCDRN CN(c1ccc(N)cc1)c1cc(F)cc(N2CCCC2)c1 ZINC001176420276 1121630302 /nfs/dbraw/zinc/63/03/02/1121630302.db2.gz WTBNIDLHHARXCX-UHFFFAOYSA-N 0 0 285.366 3.776 20 10 CHCDRN Nc1ccc(Nc2cc(F)cc(N3CCCC3)c2)cc1 ZINC001176421295 1121630475 /nfs/dbraw/zinc/63/04/75/1121630475.db2.gz PFLIPTUABOSRDF-UHFFFAOYSA-N 0 0 271.339 3.752 20 10 CHCDRN CC/C=C/COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000727046735 1121693469 /nfs/dbraw/zinc/69/34/69/1121693469.db2.gz HVZQHCQBCKBOOJ-VMPITWQZSA-N 0 0 284.359 3.612 20 10 CHCDRN COc1ccc(O)c([C@H](C)NC(=O)CCC2CCCC2)c1 ZINC000728985645 1121735356 /nfs/dbraw/zinc/73/53/56/1121735356.db2.gz ZNBJBNBWXZIVLO-LBPRGKRZSA-N 0 0 291.391 3.548 20 10 CHCDRN Cc1cccc([C@H](C)[NH2+]Cc2cc(F)c(F)cc2[O-])c1 ZINC001204946917 1121771548 /nfs/dbraw/zinc/77/15/48/1121771548.db2.gz XVXPWTCQEFNHLK-NSHDSACASA-N 0 0 277.314 3.830 20 10 CHCDRN O=C(CCCC1CCCC1)NCc1c(O)cccc1F ZINC001178413457 1121785788 /nfs/dbraw/zinc/78/57/88/1121785788.db2.gz SCNNZBYNNLXPCA-UHFFFAOYSA-N 0 0 279.355 3.508 20 10 CHCDRN CCC(CC)C(=O)NCc1c(O)ccc2ccccc21 ZINC001179029887 1121845151 /nfs/dbraw/zinc/84/51/51/1121845151.db2.gz VEMXIQWDJOXJGJ-UHFFFAOYSA-N 0 0 271.360 3.598 20 10 CHCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000731149447 1121848927 /nfs/dbraw/zinc/84/89/27/1121848927.db2.gz CBMFAASEEXIABW-UHFFFAOYSA-N 0 0 292.423 3.898 20 10 CHCDRN CN(C)c1ccc(/C=C\CNc2cccc3c2OCC3)cc1 ZINC001179159318 1121856105 /nfs/dbraw/zinc/85/61/05/1121856105.db2.gz MDHOXTUGHRNAIO-PLNGDYQASA-N 0 0 294.398 3.813 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)C(C)(C)CC)cc1F ZINC000731345927 1121864992 /nfs/dbraw/zinc/86/49/92/1121864992.db2.gz MIURTVHNJQEHDZ-UHFFFAOYSA-N 0 0 294.414 3.724 20 10 CHCDRN Cc1ccc([C@H]2CCCN2C(=O)C2=CC(=O)CS2)cc1 ZINC000731868659 1121890263 /nfs/dbraw/zinc/89/02/63/1121890263.db2.gz NYXFFYDKNGWXEM-CQSZACIVSA-N 0 0 287.384 3.739 20 10 CHCDRN Cc1ccccc1[C@H]1CCCN1C(=O)C1=CC(=O)CS1 ZINC000731870481 1121892541 /nfs/dbraw/zinc/89/25/41/1121892541.db2.gz IOSHUSHFBRPIGH-CQSZACIVSA-N 0 0 287.384 3.739 20 10 CHCDRN O=C(Nc1ccc2ccccc2c1)C1=CC(=O)CS1 ZINC000732265434 1121913952 /nfs/dbraw/zinc/91/39/52/1121913952.db2.gz YTIUGLXCPYOLHF-UHFFFAOYSA-N 0 0 269.325 3.859 20 10 CHCDRN O=C(C1=CC(=O)CS1)N1CCCC2(CCCCC2)C1 ZINC000732306166 1121916515 /nfs/dbraw/zinc/91/65/15/1121916515.db2.gz JGXVEGCLJJTUIW-UHFFFAOYSA-N 0 0 279.405 3.640 20 10 CHCDRN Cc1ccc([C@@H](C)N(C)C(=O)C2=CC(=O)CS2)cc1 ZINC000732269763 1121916645 /nfs/dbraw/zinc/91/66/45/1121916645.db2.gz SIVKGLSFFKEQJD-LLVKDONJSA-N 0 0 275.373 3.595 20 10 CHCDRN C[C@H](OC(=O)C1=CC(=O)CS1)c1ccc(F)cc1 ZINC000732352796 1121917953 /nfs/dbraw/zinc/91/79/53/1121917953.db2.gz HHEFPQJAIMUNOU-QMMMGPOBSA-N 0 0 266.293 3.511 20 10 CHCDRN Cc1ncc(/C=C/C(=O)N2C[C@@H](C)Cc3ccccc32)s1 ZINC000732736701 1121935033 /nfs/dbraw/zinc/93/50/33/1121935033.db2.gz CNDYJQJRIWFSNK-GUOLPTJISA-N 0 0 298.411 3.690 20 10 CHCDRN Cc1ncc(/C=C/C(=O)N2CCCc3cccc(C)c32)s1 ZINC000732729595 1121937161 /nfs/dbraw/zinc/93/71/61/1121937161.db2.gz AQASBLMDTHPNKL-CMDGGOBGSA-N 0 0 298.411 3.753 20 10 CHCDRN Cc1ncc(/C=C/C(=O)N(C)c2cc(C)cc(C)c2)s1 ZINC000732734580 1121938045 /nfs/dbraw/zinc/93/80/45/1121938045.db2.gz KZAPHTSQWONSMD-AATRIKPKSA-N 0 0 286.400 3.745 20 10 CHCDRN Cc1cc(O)c(C[N@@H+]2CCSC(C)(C)C2)c(Cl)c1 ZINC001180199828 1121966673 /nfs/dbraw/zinc/96/66/73/1121966673.db2.gz ZDHMXDVNWUAZLZ-UHFFFAOYSA-N 0 0 285.840 3.681 20 10 CHCDRN COc1ccc2c(c1)CCCN2C[C@@]1(C)CCCS1 ZINC001180715581 1122007692 /nfs/dbraw/zinc/00/76/92/1122007692.db2.gz ANSUPCDERRMHST-MRXNPFEDSA-N 0 0 277.433 3.734 20 10 CHCDRN C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)c(F)cc2[O-])C[C@H]1C ZINC001180707273 1122009384 /nfs/dbraw/zinc/00/93/84/1122009384.db2.gz GRSREKDJRGKWTN-CKYFFXLPSA-N 0 0 269.335 3.585 20 10 CHCDRN Cc1c(C)n(C)c2ccc(OC(=O)CCOC(C)C)cc12 ZINC000817762831 1122100148 /nfs/dbraw/zinc/10/01/48/1122100148.db2.gz XWPUAFICYJMELI-UHFFFAOYSA-N 0 0 289.375 3.516 20 10 CHCDRN Cc1ccc2c(c1C)OC[C@@H]2[NH2+][C@@H](C)c1ccccc1O ZINC000272843623 1122213882 /nfs/dbraw/zinc/21/38/82/1122213882.db2.gz JYLAUQQHVUISEG-BBRMVZONSA-N 0 0 283.371 3.793 20 10 CHCDRN CCSCc1cccnc1NCc1cc(F)ccc1O ZINC001183491108 1122224081 /nfs/dbraw/zinc/22/40/81/1122224081.db2.gz OGPYBGCOXZKUSR-UHFFFAOYSA-N 0 0 292.379 3.792 20 10 CHCDRN Cc1ccsc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273370808 1122230760 /nfs/dbraw/zinc/23/07/60/1122230760.db2.gz FYGTWWUKLIVWLH-JTQLQIEISA-N 0 0 292.360 3.521 20 10 CHCDRN CC(C)Cn1cc(N[C@H](C)c2cc(F)ccc2O)cn1 ZINC000273493004 1122236280 /nfs/dbraw/zinc/23/62/80/1122236280.db2.gz OOVBWLBXOYBYJY-LLVKDONJSA-N 0 0 277.343 3.557 20 10 CHCDRN Cc1ccc(O)c(CNc2cccc(Cn3cccn3)c2)c1 ZINC000103855595 1122259255 /nfs/dbraw/zinc/25/92/55/1122259255.db2.gz VQRLJQVEZAGKFB-UHFFFAOYSA-N 0 0 293.370 3.558 20 10 CHCDRN CCn1nccc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001205323781 1122319673 /nfs/dbraw/zinc/31/96/73/1122319673.db2.gz YNMMHFCAPDCGTC-UHFFFAOYSA-N 0 0 293.374 3.537 20 10 CHCDRN C[C@H](NC(=O)Nc1ccc(F)c(F)c1)c1ccccc1O ZINC001185111389 1122320419 /nfs/dbraw/zinc/32/04/19/1122320419.db2.gz YYRRUYBKANEHLX-VIFPVBQESA-N 0 0 292.285 3.553 20 10 CHCDRN CC(F)(F)CCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000824477430 1122402481 /nfs/dbraw/zinc/40/24/81/1122402481.db2.gz RUXZFXVSIYRGMN-UHFFFAOYSA-N 0 0 281.705 3.710 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)c1cncc(C)c1 ZINC000282362184 1122427429 /nfs/dbraw/zinc/42/74/29/1122427429.db2.gz BLGSSTYCQQOZFP-UHFFFAOYSA-N 0 0 298.386 3.538 20 10 CHCDRN CC(C)C[C@H]1CCCCCN1C(=O)c1cccc(O)c1O ZINC000193109999 1129053920 /nfs/dbraw/zinc/05/39/20/1129053920.db2.gz PXQAEKGJNJPJGO-CYBMUJFWSA-N 0 0 291.391 3.529 20 10 CHCDRN CC(C)C[C@@H]1CCCCCN1C(=O)c1cccc(O)c1O ZINC000193109986 1129054017 /nfs/dbraw/zinc/05/40/17/1129054017.db2.gz PXQAEKGJNJPJGO-ZDUSSCGKSA-N 0 0 291.391 3.529 20 10 CHCDRN CC(C)[C@@H](O)CCSc1ncc(C(C)(C)C)s1 ZINC001188939027 1122481423 /nfs/dbraw/zinc/48/14/23/1122481423.db2.gz AIEBGVWZEGUEFU-JTQLQIEISA-N 0 0 273.467 3.940 20 10 CHCDRN CCOc1ccc(CNc2cccc3cc[nH]c32)c(O)c1 ZINC000775341975 1122523810 /nfs/dbraw/zinc/52/38/10/1122523810.db2.gz TVRGFFXQNLVPAD-UHFFFAOYSA-N 0 0 282.343 3.884 20 10 CHCDRN CN(C)c1ccc(CNc2cccc3cc[nH]c32)cc1F ZINC000775340473 1122523829 /nfs/dbraw/zinc/52/38/29/1122523829.db2.gz MRDGZILSOCYCEB-UHFFFAOYSA-N 0 0 283.350 3.985 20 10 CHCDRN COc1ccc(N(C)CCCSCC(C)C)c(OC)c1 ZINC001192402888 1122645507 /nfs/dbraw/zinc/64/55/07/1122645507.db2.gz YZQLCTWAAZVHDK-UHFFFAOYSA-N 0 0 297.464 3.919 20 10 CHCDRN CCc1nn(C)cc1N[C@H](CC)c1cc(Cl)ccc1O ZINC000775538848 1122651930 /nfs/dbraw/zinc/65/19/30/1122651930.db2.gz AFVHMQOEAITHIW-GFCCVEGCSA-N 0 0 293.798 3.905 20 10 CHCDRN CCCC[C@H](C)NC(=O)N(CC)Cc1ccccc1O ZINC001193052360 1122675856 /nfs/dbraw/zinc/67/58/56/1122675856.db2.gz IGTKGIJAKQTPCF-ZDUSSCGKSA-N 0 0 278.396 3.502 20 10 CHCDRN COCc1ccc(N[C@@H](C)c2cc(F)ccc2O)cc1 ZINC000193418948 1129075573 /nfs/dbraw/zinc/07/55/73/1129075573.db2.gz HRYAZFLGUUBMNA-NSHDSACASA-N 0 0 275.323 3.851 20 10 CHCDRN Cc1csc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])n1 ZINC000080271794 1129079575 /nfs/dbraw/zinc/07/95/75/1129079575.db2.gz GUZGBVKJYWZCGU-VHSXEESVSA-N 0 0 280.368 3.708 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000775634797 1122839536 /nfs/dbraw/zinc/83/95/36/1122839536.db2.gz YNVPYKDJQWNCKQ-HNNXBMFYSA-N 0 0 273.763 3.993 20 10 CHCDRN C[C@@H](CC(=O)N(C)Cc1ccccc1O)C1CCCCC1 ZINC000101645721 1122842677 /nfs/dbraw/zinc/84/26/77/1122842677.db2.gz DMEKQHHUKQOBPV-AWEZNQCLSA-N 0 0 289.419 3.957 20 10 CHCDRN CCC[C@H](C)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000775642081 1122850332 /nfs/dbraw/zinc/85/03/32/1122850332.db2.gz AIWCGKFZDZKXTQ-DOTOQJQBSA-N 0 0 291.435 3.809 20 10 CHCDRN CC[C@H](C)OC(=O)NCc1cc2ccccc2cc1O ZINC001195155851 1122851101 /nfs/dbraw/zinc/85/11/01/1122851101.db2.gz DCAYNAWUXLMVIN-NSHDSACASA-N 0 0 273.332 3.570 20 10 CHCDRN CC/C=C\CCN1CCCc2cc(OC)cc(OC)c21 ZINC001195178410 1122853197 /nfs/dbraw/zinc/85/31/97/1122853197.db2.gz KKUIIOQZTNEKEO-WAYWQWQTSA-N 0 0 275.392 3.813 20 10 CHCDRN CCn1ncc2ccc(N[C@@H](C)c3ccccc3O)cc21 ZINC000183686320 1129082638 /nfs/dbraw/zinc/08/26/38/1129082638.db2.gz HWMQVYDTWLCXAP-LBPRGKRZSA-N 0 0 281.359 3.935 20 10 CHCDRN C[C@H](Nc1ccc2c(c1)CCCN2C)c1ccccc1O ZINC000183686232 1129082920 /nfs/dbraw/zinc/08/29/20/1129082920.db2.gz ZMKNUXAVLDWCBI-ZDUSSCGKSA-N 0 0 282.387 3.948 20 10 CHCDRN Cc1cc([C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2[O-])on1 ZINC000775655136 1122866947 /nfs/dbraw/zinc/86/69/47/1122866947.db2.gz AJQCCCCFIVPETC-CYBMUJFWSA-N 0 0 292.766 3.679 20 10 CHCDRN C[C@H](C1CC1)[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000775653245 1122868393 /nfs/dbraw/zinc/86/83/93/1122868393.db2.gz BAJHAPJSPPNCIC-SECBINFHSA-N 0 0 283.774 3.948 20 10 CHCDRN COc1ccc(N(C)C[C@H]2CCCC3(CCC3)O2)cc1 ZINC001195819233 1122891617 /nfs/dbraw/zinc/89/16/17/1122891617.db2.gz WWLVLWKXXUJODQ-MRXNPFEDSA-N 0 0 275.392 3.623 20 10 CHCDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccccc1F ZINC001196319231 1122916475 /nfs/dbraw/zinc/91/64/75/1122916475.db2.gz OFWBWBWRUVDGMY-UHFFFAOYSA-N 0 0 294.713 3.506 20 10 CHCDRN CCO[C@H]1C[C@@H]([N@H+](C)Cc2cccc(Cl)c2[O-])C1(C)C ZINC000775716629 1122921235 /nfs/dbraw/zinc/92/12/35/1122921235.db2.gz YPVJXDSHOKZLFD-KGLIPLIRSA-N 0 0 297.826 3.681 20 10 CHCDRN CCOc1ccc(N(CC)C[C@H](CC(C)C)OC)cc1 ZINC001167984821 1122938921 /nfs/dbraw/zinc/93/89/21/1122938921.db2.gz XDCFWHOPERWPHK-KRWDZBQOSA-N 0 0 279.424 3.973 20 10 CHCDRN Cc1ccc(C)c(NC(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001197757252 1122968909 /nfs/dbraw/zinc/96/89/09/1122968909.db2.gz MRNFJZIGBXVJBA-ZDUSSCGKSA-N 0 0 284.359 3.892 20 10 CHCDRN Cc1ccccc1NC(=S)NCc1ncccc1Cl ZINC001198442327 1122993429 /nfs/dbraw/zinc/99/34/29/1122993429.db2.gz FQQRUMOAFBBNPF-UHFFFAOYSA-N 0 0 291.807 3.530 20 10 CHCDRN CC[C@H](CC(=O)N[C@@H](C)c1cc(OC)ccc1O)C(C)C ZINC000104900793 1123023557 /nfs/dbraw/zinc/02/35/57/1123023557.db2.gz FMEAFESKFWFMRG-QWHCGFSZSA-N 0 0 293.407 3.650 20 10 CHCDRN COc1cccc(O)c1CNc1ccc(Cl)cc1OC ZINC000776003613 1123035052 /nfs/dbraw/zinc/03/50/52/1123035052.db2.gz XINGVGMYUKCATA-UHFFFAOYSA-N 0 0 293.750 3.675 20 10 CHCDRN Nc1ccc(Nc2ccccc2C(=O)c2ccccc2)cn1 ZINC001201284593 1123081193 /nfs/dbraw/zinc/08/11/93/1123081193.db2.gz SYYQPZRUNPXSKF-UHFFFAOYSA-N 0 0 289.338 3.638 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000776174796 1123101854 /nfs/dbraw/zinc/10/18/54/1123101854.db2.gz TVURTSJVBODSHC-CABCVRRESA-N 0 0 287.790 3.939 20 10 CHCDRN Cc1ccc(Nc2ccc(NC(C)C)cc2)c(C(N)=O)c1 ZINC001201498154 1123111351 /nfs/dbraw/zinc/11/13/51/1123111351.db2.gz ULXFTPZGSMLWJK-UHFFFAOYSA-N 0 0 283.375 3.658 20 10 CHCDRN COc1ccc(Nc2ccc(NC(C)C)cc2)cc1O ZINC001201497813 1123111617 /nfs/dbraw/zinc/11/16/17/1123111617.db2.gz KGBQUTIGBIXFRK-UHFFFAOYSA-N 0 0 272.348 3.965 20 10 CHCDRN CC(C)Nc1ccc(Nc2cccc(NC(N)=O)c2)cc1 ZINC001201500269 1123112188 /nfs/dbraw/zinc/11/21/88/1123112188.db2.gz XCCFYWOTUJEAMZ-UHFFFAOYSA-N 0 0 284.363 3.741 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CSc2ccccc21 ZINC000776207939 1123141131 /nfs/dbraw/zinc/14/11/31/1123141131.db2.gz SPNKRJLJBIUPED-ZDUSSCGKSA-N 0 0 291.803 3.982 20 10 CHCDRN CCN(CC(C)C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776238201 1123173777 /nfs/dbraw/zinc/17/37/77/1123173777.db2.gz LSPWLVFBXFFZQA-CQSZACIVSA-N 0 0 291.439 3.501 20 10 CHCDRN Cc1ccncc1[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776254310 1123180358 /nfs/dbraw/zinc/18/03/58/1123180358.db2.gz BDSJSWVNHVCWAT-NSHDSACASA-N 0 0 276.767 3.600 20 10 CHCDRN CC(C)(C[NH2+]Cc1cccc(Cl)c1[O-])[C@H]1CCCCO1 ZINC000776247327 1123180476 /nfs/dbraw/zinc/18/04/76/1123180476.db2.gz CJLOIFUEHZMATE-CQSZACIVSA-N 0 0 297.826 3.731 20 10 CHCDRN CC(C)c1cccc(CNC(=O)C2=CC(=O)CS2)c1 ZINC000776264247 1123191080 /nfs/dbraw/zinc/19/10/80/1123191080.db2.gz OSUFUBMXHMTBHB-UHFFFAOYSA-N 0 0 275.373 3.507 20 10 CHCDRN CCc1nnc(CSc2ncc(Cl)s2)s1 ZINC000850000356 1123237071 /nfs/dbraw/zinc/23/70/71/1123237071.db2.gz RTBMCGXDDILMOQ-UHFFFAOYSA-N 0 0 277.827 3.503 20 10 CHCDRN Cc1nccn1CCCCSc1ncc(Cl)s1 ZINC000850000491 1123237089 /nfs/dbraw/zinc/23/70/89/1123237089.db2.gz WUVDMNBACNSLTD-UHFFFAOYSA-N 0 0 287.841 3.874 20 10 CHCDRN Cc1ccncc1CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000850505182 1123276334 /nfs/dbraw/zinc/27/63/34/1123276334.db2.gz ORTUADGTPBTACF-LBPRGKRZSA-N 0 0 290.794 3.642 20 10 CHCDRN CC[C@@H]([NH2+]CCCOC(C)(C)C)c1ccc(F)cc1[O-] ZINC000850526346 1123281724 /nfs/dbraw/zinc/28/17/24/1123281724.db2.gz PSSXQXDELISROM-CQSZACIVSA-N 0 0 283.387 3.777 20 10 CHCDRN C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccc(F)cc1[O-] ZINC000850536218 1123287168 /nfs/dbraw/zinc/28/71/68/1123287168.db2.gz IMVHCEXTBZLGIM-TVQRCGJNSA-N 0 0 273.298 3.617 20 10 CHCDRN CC[C@H]([NH2+]CC1CCC(O)CC1)c1cccc(Cl)c1[O-] ZINC000850553123 1123289833 /nfs/dbraw/zinc/28/98/33/1123289833.db2.gz SFHUPPMNSQOXCX-QOZQQMKHSA-N 0 0 297.826 3.637 20 10 CHCDRN CCSC1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000850553119 1123290016 /nfs/dbraw/zinc/29/00/16/1123290016.db2.gz SEHUUJIAEMDQJA-VIFPVBQESA-N 0 0 287.375 3.607 20 10 CHCDRN C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc(F)cc1 ZINC000020095481 1123358422 /nfs/dbraw/zinc/35/84/22/1123358422.db2.gz JREMCYIQAYFKEH-RYUDHWBXSA-N 0 0 259.324 3.943 20 10 CHCDRN COc1ccc(O)c(CNc2ccc(Cl)cc2C)c1 ZINC000020095218 1123359310 /nfs/dbraw/zinc/35/93/10/1123359310.db2.gz NMUJSZDNVQDBBQ-UHFFFAOYSA-N 0 0 277.751 3.975 20 10 CHCDRN COc1cc(CN(C)c2ccc(OC(C)C)cc2)sn1 ZINC000851984358 1123392551 /nfs/dbraw/zinc/39/25/51/1123392551.db2.gz BMNRJMMAMHVPEV-UHFFFAOYSA-N 0 0 292.404 3.575 20 10 CHCDRN COc1ccc(N(Cc2cc(C3CC3)no2)CC2CC2)cc1 ZINC000852134685 1123398432 /nfs/dbraw/zinc/39/84/32/1123398432.db2.gz GUXJAXYIECOWIY-UHFFFAOYSA-N 0 0 298.386 3.977 20 10 CHCDRN CC[C@H]([NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-])C1CC1 ZINC000852554925 1123409263 /nfs/dbraw/zinc/40/92/63/1123409263.db2.gz GBWSYDFYCTVXCS-AWEZNQCLSA-N 0 0 281.783 3.526 20 10 CHCDRN c1cc(N2CCCC2)ccc1OCCC1SCCS1 ZINC000853674526 1123446825 /nfs/dbraw/zinc/44/68/25/1123446825.db2.gz CEUVJIQBFFJJLQ-UHFFFAOYSA-N 0 0 295.473 3.862 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1CC[C@H](C)C1 ZINC000759218916 1123453118 /nfs/dbraw/zinc/45/31/18/1123453118.db2.gz VKDKJFXQVHLWSA-ZFWWWQNUSA-N 0 0 288.435 3.504 20 10 CHCDRN CCN(CC)c1ccc(CN2CCC(F)(F)C2)cc1F ZINC000776692345 1123455823 /nfs/dbraw/zinc/45/58/23/1123455823.db2.gz ACTZEEPHHXDKGS-UHFFFAOYSA-N 0 0 286.341 3.513 20 10 CHCDRN CC1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC(F)(F)C1 ZINC000895533309 1123488120 /nfs/dbraw/zinc/48/81/20/1123488120.db2.gz VJZOVOSYVJJGSF-UHFFFAOYSA-N 0 0 293.716 3.710 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]CC[C@@H]1CCCC1(F)F ZINC000895544785 1123490299 /nfs/dbraw/zinc/49/02/99/1123490299.db2.gz MWQMXJIIMJSUJO-NSHDSACASA-N 0 0 289.753 3.961 20 10 CHCDRN Cc1ccc([C@@H](C)Nc2cccc(C(=O)N(C)C)c2)c(O)c1 ZINC000273500455 1129125447 /nfs/dbraw/zinc/12/54/47/1129125447.db2.gz YSLCEBTUEWXFLW-CYBMUJFWSA-N 0 0 298.386 3.576 20 10 CHCDRN Cc1ccc(N(C)C(=O)/C=C/c2cccnc2)cc1Cl ZINC000113068824 1123508846 /nfs/dbraw/zinc/50/88/46/1123508846.db2.gz XDERGFWIVSGRDV-SOFGYWHQSA-N 0 0 286.762 3.720 20 10 CHCDRN Cc1ncsc1/C=C\C(=O)N1C[C@H](C)Cc2ccccc21 ZINC000776828928 1123533447 /nfs/dbraw/zinc/53/34/47/1123533447.db2.gz NJVGWGIRPHOYMT-QDZRJHCZSA-N 0 0 298.411 3.690 20 10 CHCDRN CCOc1ccccc1CSc1nccs1 ZINC000194355542 1129133954 /nfs/dbraw/zinc/13/39/54/1129133954.db2.gz PZAPWCMJAGMTFZ-UHFFFAOYSA-N 0 0 251.376 3.834 20 10 CHCDRN CCC[C@@H](C[NH2+][C@@H](CC)c1ccc(F)cc1[O-])OCC ZINC000858451093 1123655349 /nfs/dbraw/zinc/65/53/49/1123655349.db2.gz NBXJVCRWLMTJOY-ZFWWWQNUSA-N 0 0 283.387 3.777 20 10 CHCDRN CC[C@H](NCC(F)(F)CC)c1ccc(F)cc1O ZINC000858506253 1123658672 /nfs/dbraw/zinc/65/86/72/1123658672.db2.gz DQRVGALEDYEOSH-NSHDSACASA-N 0 0 261.287 3.617 20 10 CHCDRN CCC(F)(F)CN[C@@H](C)c1ccc(C)c(C)c1O ZINC000858507871 1123659189 /nfs/dbraw/zinc/65/91/89/1123659189.db2.gz SPZSHLIBPHEQOF-NSHDSACASA-N 0 0 257.324 3.705 20 10 CHCDRN C/C=C\C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000858536951 1123661001 /nfs/dbraw/zinc/66/10/01/1123661001.db2.gz LGSJCHDQVJEBDS-ZBJFTSOASA-N 0 0 259.271 3.638 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)c1ccns1)c1ccc(F)cc1[O-] ZINC000858577671 1123664977 /nfs/dbraw/zinc/66/49/77/1123664977.db2.gz UNZOSWGHYOXFLG-CABZTGNLSA-N 0 0 280.368 3.790 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCCC12CC2)c1cc(F)cc(F)c1[O-] ZINC000858595304 1123666528 /nfs/dbraw/zinc/66/65/28/1123666528.db2.gz YFDPOXLSIATFDO-QWRGUYRKSA-N 0 0 281.346 3.901 20 10 CHCDRN C/C(=C/C(C)(C)C)C(=O)NCc1ccc2cccnc2c1O ZINC000862027463 1123789077 /nfs/dbraw/zinc/78/90/77/1123789077.db2.gz SYLUJDMQZHLDGE-BENRWUELSA-N 0 0 298.386 3.549 20 10 CHCDRN COCc1ccc(NCc2ccc(N(C)C)cc2)cc1 ZINC000195461742 1129145533 /nfs/dbraw/zinc/14/55/33/1129145533.db2.gz WVYDVZDQKUEPJH-UHFFFAOYSA-N 0 0 270.376 3.511 20 10 CHCDRN CCC[C@H](C[NH2+]Cc1ccc2ccccc2c1O)OCC ZINC000862435415 1123808988 /nfs/dbraw/zinc/80/89/88/1123808988.db2.gz YMTMFXISJORVFI-MRXNPFEDSA-N 0 0 287.403 3.840 20 10 CHCDRN CC[C@H](CCc1ccccc1)NC(=O)C1=CC(=O)CS1 ZINC000862689887 1123825324 /nfs/dbraw/zinc/82/53/24/1123825324.db2.gz FOZMIZGFJHTWCD-CYBMUJFWSA-N 0 0 289.400 3.595 20 10 CHCDRN CC[C@H](Cc1ccccc1)C(=O)NCc1cc(C)ccc1O ZINC000862760272 1123827277 /nfs/dbraw/zinc/82/72/77/1123827277.db2.gz OXKCAERLZMZCTK-MRXNPFEDSA-N 0 0 297.398 3.586 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)C[C@H]2CCCC[C@@H]2C)c1 ZINC000862759245 1123827350 /nfs/dbraw/zinc/82/73/50/1123827350.db2.gz YZBIFLUAAYCEHX-UONOGXRCSA-N 0 0 275.392 3.533 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)C[C@@H]2CCC[C@H](C)C2)c1 ZINC000862759262 1123827405 /nfs/dbraw/zinc/82/74/05/1123827405.db2.gz ZPKQWSPGZHCJIN-GXTWGEPZSA-N 0 0 275.392 3.533 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)C[C@H](C)c2ccccc2C)c1 ZINC000862759800 1123827580 /nfs/dbraw/zinc/82/75/80/1123827580.db2.gz IVMBLQOYWLVJRE-HNNXBMFYSA-N 0 0 297.398 3.819 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)C2(C)CCCCCC2)c1 ZINC000862757112 1123828093 /nfs/dbraw/zinc/82/80/93/1123828093.db2.gz HUYCWMCSDHIGEN-UHFFFAOYSA-N 0 0 275.392 3.677 20 10 CHCDRN Cc1cc(CNC(=O)[C@@H]2CC23CC3)c(C)n1-c1ccccc1 ZINC000863163676 1123848675 /nfs/dbraw/zinc/84/86/75/1123848675.db2.gz LYFRXLWNUZEOOB-KRWDZBQOSA-N 0 0 294.398 3.510 20 10 CHCDRN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CS[C@@H](C)C2)c1O ZINC000840859819 1123861335 /nfs/dbraw/zinc/86/13/35/1123861335.db2.gz MXXMYTYNWCHTLQ-JBLDHEPKSA-N 0 0 285.840 3.899 20 10 CHCDRN Clc1cnc(SCC2(Br)CC2)s1 ZINC000863347731 1123862036 /nfs/dbraw/zinc/86/20/36/1123862036.db2.gz GMVXEOJILIHISM-UHFFFAOYSA-N 0 0 284.631 3.816 20 10 CHCDRN CCOc1ccc(O)c(CNc2ccccc2COC)c1 ZINC000119436931 1123865786 /nfs/dbraw/zinc/86/57/86/1123865786.db2.gz PCGCOWKMGHQSQN-UHFFFAOYSA-N 0 0 287.359 3.549 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNc1ccc([N+](=O)[O-])cc1 ZINC000301309880 1123891352 /nfs/dbraw/zinc/89/13/52/1123891352.db2.gz YHUSGOMFGFZWTB-UHFFFAOYSA-N 0 0 285.347 3.581 20 10 CHCDRN CCc1cccc(CNc2ccc(OC)cc2F)c1O ZINC000864042873 1123912581 /nfs/dbraw/zinc/91/25/81/1123912581.db2.gz YJWFCCXSIVLZKF-UHFFFAOYSA-N 0 0 275.323 3.714 20 10 CHCDRN CCN(CC)c1ccc(CNc2nocc2C)cc1F ZINC000184039810 1129153884 /nfs/dbraw/zinc/15/38/84/1129153884.db2.gz ASIYNMMLTWYONX-UHFFFAOYSA-N 0 0 277.343 3.580 20 10 CHCDRN CCCCCC(C)(C)C(=O)NCc1cc(OC)ccc1O ZINC000084631900 1129154335 /nfs/dbraw/zinc/15/43/35/1129154335.db2.gz KAKFABJMUDXSMM-UHFFFAOYSA-N 0 0 293.407 3.624 20 10 CHCDRN CC[C@H]([NH2+]CCCNc1ccccn1)c1ccc(C)cc1O ZINC000794810182 1123955793 /nfs/dbraw/zinc/95/57/93/1123955793.db2.gz JSGCBKHVLYGQKX-INIZCTEOSA-N 0 0 299.418 3.639 20 10 CHCDRN CC[C@H](Nc1cnn(CC2CC2)c1)c1ccc(C)cc1O ZINC000794813131 1123957564 /nfs/dbraw/zinc/95/75/64/1123957564.db2.gz NPRDAGCSIRJVQT-INIZCTEOSA-N 0 0 285.391 3.870 20 10 CHCDRN C[C@H]([NH2+]CCC1(C)CC1)c1cc(F)cc(F)c1[O-] ZINC000794830110 1123962313 /nfs/dbraw/zinc/96/23/13/1123962313.db2.gz YWKSURYFAINJPH-VIFPVBQESA-N 0 0 255.308 3.511 20 10 CHCDRN CCc1cccc(F)c1/C=C1/SC(=S)N(CC)C1=O ZINC000794867334 1124012370 /nfs/dbraw/zinc/01/23/70/1124012370.db2.gz WCTIFJXYJDLDKJ-XYOKQWHBSA-N 0 0 295.404 3.609 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@@H]1C)c1cccc(Cl)c1[O-] ZINC000866448353 1124066570 /nfs/dbraw/zinc/06/65/70/1124066570.db2.gz VGPQIBJSINLHNP-GIFSMMMISA-N 0 0 283.799 3.652 20 10 CHCDRN Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])s1 ZINC000866455489 1124067824 /nfs/dbraw/zinc/06/78/24/1124067824.db2.gz MEGZFQVWVJUKTN-JGVFFNPUSA-N 0 0 298.358 3.847 20 10 CHCDRN Cc1ncc([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])s1 ZINC000866455388 1124068155 /nfs/dbraw/zinc/06/81/55/1124068155.db2.gz LDLCEKRXFWNIDB-DTWKUNHWSA-N 0 0 280.368 3.708 20 10 CHCDRN Cc1ccc([C@@H](C)Nc2cnn3c2CCCC3)c(O)c1C ZINC000866460372 1124068832 /nfs/dbraw/zinc/06/88/32/1124068832.db2.gz HCDDPWBSXAVDMH-CYBMUJFWSA-N 0 0 285.391 3.715 20 10 CHCDRN C[C@H](NC(=O)[C@@]12C[C@@H]1CCCC2)c1ccc(N(C)C)cc1 ZINC000867502913 1124098549 /nfs/dbraw/zinc/09/85/49/1124098549.db2.gz FEHZFGXGYOCXQD-YEWWUXTCSA-N 0 0 286.419 3.510 20 10 CHCDRN COc1cc2ccccc2cc1C(=O)Nc1ccc(N)cc1 ZINC000867603231 1124100708 /nfs/dbraw/zinc/10/07/08/1124100708.db2.gz WYGJDMWGMWZDKQ-UHFFFAOYSA-N 0 0 292.338 3.683 20 10 CHCDRN C(=C/c1ccc(N2CCCC2)cc1)\c1nccs1 ZINC001119555025 1131259004 /nfs/dbraw/zinc/25/90/04/1131259004.db2.gz GIWGCFWCDHTYOU-VMPITWQZSA-N 0 0 256.374 3.914 20 10 CHCDRN Cc1cc2c(cccc2-c2cnn(C(F)F)c2)n1C ZINC001238870412 1131261216 /nfs/dbraw/zinc/26/12/16/1131261216.db2.gz OCGGEAKLUFHXOV-UHFFFAOYSA-N 0 0 261.275 3.745 20 10 CHCDRN C[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1ccsc1 ZINC000868586305 1124477451 /nfs/dbraw/zinc/47/74/51/1124477451.db2.gz OVMJXIQLNPJULY-GHMZBOCLSA-N 0 0 290.388 3.575 20 10 CHCDRN Cc1cc(C)cc(CNC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000868770535 1124485378 /nfs/dbraw/zinc/48/53/78/1124485378.db2.gz YGXLGESRHBJMFD-CQSZACIVSA-N 0 0 298.386 3.569 20 10 CHCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCCC1CCCCC1 ZINC000208410176 1124583187 /nfs/dbraw/zinc/58/31/87/1124583187.db2.gz XJJMXUOCQZQZQY-CLFYSBASSA-N 0 0 290.359 3.625 20 10 CHCDRN CCc1ccc([C@H](C)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871202868 1124602802 /nfs/dbraw/zinc/60/28/02/1124602802.db2.gz NSFYQIJTQWELRQ-ZDUSSCGKSA-N 0 0 295.382 3.601 20 10 CHCDRN C[C@@H](CC(=O)N1Cc2cccc(O)c2C1)C1CCCCC1 ZINC000871200995 1124602841 /nfs/dbraw/zinc/60/28/41/1124602841.db2.gz OPQDTMGRRNWXNQ-ZDUSSCGKSA-N 0 0 287.403 3.841 20 10 CHCDRN C[C@@H](CC(=O)N1Cc2cccc(O)c2C1)CC(C)(C)C ZINC000871201160 1124602852 /nfs/dbraw/zinc/60/28/52/1124602852.db2.gz QWSSJPYECRBTGO-LBPRGKRZSA-N 0 0 275.392 3.697 20 10 CHCDRN CC[C@@H](Cc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202487 1124602883 /nfs/dbraw/zinc/60/28/83/1124602883.db2.gz JGCZXCSHQMRLDW-HNNXBMFYSA-N 0 0 295.382 3.503 20 10 CHCDRN CSCCCCCCC(=O)N1Cc2cccc(O)c2C1 ZINC000871206623 1124604228 /nfs/dbraw/zinc/60/42/28/1124604228.db2.gz BTBMEPANKYBRQO-UHFFFAOYSA-N 0 0 293.432 3.548 20 10 CHCDRN CCCC[C@H](Sc1ncc(Cl)s1)C(=O)OC ZINC000795198260 1124662319 /nfs/dbraw/zinc/66/23/19/1124662319.db2.gz CRIXLIRFFBNYBU-ZETCQYMHSA-N 0 0 279.814 3.620 20 10 CHCDRN O=C(NCc1ccccc1O)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000825659338 1124741101 /nfs/dbraw/zinc/74/11/01/1124741101.db2.gz ZTPMCFAVNXPELW-DLBZAZTESA-N 0 0 295.382 3.592 20 10 CHCDRN Nc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 ZINC000019845935 1124753329 /nfs/dbraw/zinc/75/33/29/1124753329.db2.gz NZCFGDKOYBMAKK-UHFFFAOYSA-N 0 0 292.791 3.653 20 10 CHCDRN COc1cnc(F)cc1-c1ccc(-n2c(C)ccc2C)nc1 ZINC001239036315 1131293339 /nfs/dbraw/zinc/29/33/39/1131293339.db2.gz NHDHLHFDPLBBIW-UHFFFAOYSA-N 0 0 297.333 3.699 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]CCSc1ccccc1 ZINC000124670333 1124802877 /nfs/dbraw/zinc/80/28/77/1124802877.db2.gz BTQGYPGYEWWKAN-UHFFFAOYSA-N 0 0 293.819 3.928 20 10 CHCDRN C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])c1cccc(O)c1 ZINC000124807938 1124818423 /nfs/dbraw/zinc/81/84/23/1124818423.db2.gz SXDSFTCIUGKKOK-SNVBAGLBSA-N 0 0 277.751 3.602 20 10 CHCDRN CC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])c1nccs1 ZINC000124835101 1124819905 /nfs/dbraw/zinc/81/99/05/1124819905.db2.gz OTDRSRQOKSEGSW-NSHDSACASA-N 0 0 282.796 3.743 20 10 CHCDRN C[C@H](Sc1ncc(C(C)(C)C)s1)c1nccc(N)n1 ZINC000821084973 1131318797 /nfs/dbraw/zinc/31/87/97/1131318797.db2.gz UXNGANZJLSEBSY-QMMMGPOBSA-N 0 0 294.449 3.666 20 10 CHCDRN CC[C@H](Cc1cccc(C)c1)C(=O)Nc1ccc(N)cc1 ZINC000876504681 1124956537 /nfs/dbraw/zinc/95/65/37/1124956537.db2.gz SXQAKWMDNWIYRZ-OAHLLOKOSA-N 0 0 282.387 3.785 20 10 CHCDRN Cc1cccc(O)c1CNc1cccc(NC(=O)C2CC2)c1 ZINC000876521387 1124956639 /nfs/dbraw/zinc/95/66/39/1124956639.db2.gz VYRPJUFCYROSAQ-UHFFFAOYSA-N 0 0 296.370 3.661 20 10 CHCDRN CCN(Cc1ncc(Cl)s1)Cc1ccccc1O ZINC001137112036 1124975728 /nfs/dbraw/zinc/97/57/28/1124975728.db2.gz QCCNBXOFCCFOGM-UHFFFAOYSA-N 0 0 282.796 3.524 20 10 CHCDRN CCOc1cc(NCc2ccc(C)cc2O)ccc1OC ZINC000876822202 1124982054 /nfs/dbraw/zinc/98/20/54/1124982054.db2.gz SKHCPIYYXDMNKG-UHFFFAOYSA-N 0 0 287.359 3.720 20 10 CHCDRN CN(C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1)c1ccc(N)cc1 ZINC000877074325 1125004640 /nfs/dbraw/zinc/00/46/40/1125004640.db2.gz HAASCAZYFLSTEN-IRXDYDNUSA-N 0 0 298.361 3.565 20 10 CHCDRN CC[C@H](Cc1ccccc1C)C(=O)N(C)c1ccc(N)cc1 ZINC000877076472 1125007127 /nfs/dbraw/zinc/00/71/27/1125007127.db2.gz QBHQLZCRKACEGB-OAHLLOKOSA-N 0 0 296.414 3.809 20 10 CHCDRN CC[C@@H](CC(=O)N(C)c1ccc(N)cc1)c1ccccc1 ZINC000877078095 1125007348 /nfs/dbraw/zinc/00/73/48/1125007348.db2.gz CTMKFIQUPZEHFX-AWEZNQCLSA-N 0 0 282.387 3.816 20 10 CHCDRN CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877462625 1125029637 /nfs/dbraw/zinc/02/96/37/1125029637.db2.gz UNEITGYAUSGSSI-JTQLQIEISA-N 0 0 297.267 3.737 20 10 CHCDRN Cc1c(NCc2c(C)cccc2O)cnn1C1CCCC1 ZINC000877478159 1125033403 /nfs/dbraw/zinc/03/34/03/1125033403.db2.gz CLXCFCLOANSIBF-UHFFFAOYSA-N 0 0 285.391 3.933 20 10 CHCDRN COC(=O)[C@H](C)c1cccc(NCc2c(C)cccc2O)c1 ZINC000877587497 1125049823 /nfs/dbraw/zinc/04/98/23/1125049823.db2.gz DJBSKNUPHRYMPZ-CYBMUJFWSA-N 0 0 299.370 3.589 20 10 CHCDRN CC(F)(F)C(C)(C)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000877731256 1125069824 /nfs/dbraw/zinc/06/98/24/1125069824.db2.gz SGXCVSHVFGEING-UHFFFAOYSA-N 0 0 295.732 3.956 20 10 CHCDRN C[C@H](NC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1O ZINC000877978846 1125108775 /nfs/dbraw/zinc/10/87/75/1125108775.db2.gz QQVISVOGJZQXET-LBPRGKRZSA-N 0 0 296.370 3.764 20 10 CHCDRN O=C(CC[C@@H]1CCc2ccccc21)NCc1ccccc1O ZINC000878559556 1125161658 /nfs/dbraw/zinc/16/16/58/1125161658.db2.gz KORJSGZPYKEIAZ-HNNXBMFYSA-N 0 0 295.382 3.519 20 10 CHCDRN COc1cc(Cl)cc(CNc2ccc(C)nc2C)c1O ZINC000228676599 1125251846 /nfs/dbraw/zinc/25/18/46/1125251846.db2.gz XTGFDSOYIOBVGI-UHFFFAOYSA-N 0 0 292.766 3.678 20 10 CHCDRN CCc1csc(NCc2cccc(Cl)c2O)n1 ZINC000897391931 1125288427 /nfs/dbraw/zinc/28/84/27/1125288427.db2.gz GDJRABPHBAJOSA-UHFFFAOYSA-N 0 0 268.769 3.677 20 10 CHCDRN COc1cccc(C[N@@H+]2CCC[C@@H](C(C)C)CC2)c1O ZINC000211444472 1125306727 /nfs/dbraw/zinc/30/67/27/1125306727.db2.gz DWCIERARVWVHHH-CQSZACIVSA-N 0 0 277.408 3.659 20 10 CHCDRN CC(C)(C)c1cnc(SCCC(=O)N2CCCC2)s1 ZINC000882139221 1125337642 /nfs/dbraw/zinc/33/76/42/1125337642.db2.gz SOBGUPACEKTUFT-UHFFFAOYSA-N 0 0 298.477 3.545 20 10 CHCDRN C[C@@H](Nc1nnc(C(C)(C)C)o1)c1ccc(N(C)C)cc1 ZINC000882203819 1125340823 /nfs/dbraw/zinc/34/08/23/1125340823.db2.gz ZHNWUSKHLARPSZ-LLVKDONJSA-N 0 0 288.395 3.606 20 10 CHCDRN CC[C@H](C)NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000025377387 1125349248 /nfs/dbraw/zinc/34/92/48/1125349248.db2.gz FUPWZDFJGULJDU-LBPRGKRZSA-N 0 0 270.376 3.622 20 10 CHCDRN C[C@H](CCCC(F)(F)F)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883102964 1125372218 /nfs/dbraw/zinc/37/22/18/1125372218.db2.gz HKFGKWMZOGPWRM-MRVPVSSYSA-N 0 0 297.267 3.881 20 10 CHCDRN CC[C@H]([NH2+]CCc1ccns1)c1cccc(Cl)c1[O-] ZINC000883247626 1125384090 /nfs/dbraw/zinc/38/40/90/1125384090.db2.gz QTGKYMAHOIYDHC-ZDUSSCGKSA-N 0 0 296.823 3.786 20 10 CHCDRN COc1ccc(O)c([C@H](C)Nc2cnc(C)c(C)c2)c1 ZINC000883342879 1125398567 /nfs/dbraw/zinc/39/85/67/1125398567.db2.gz PNRAVSDIUZHQSQ-LBPRGKRZSA-N 0 0 272.348 3.586 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](CC)c1ccc(F)cc1[O-])[C@@H]1CCCOC1 ZINC000883352976 1125400393 /nfs/dbraw/zinc/40/03/93/1125400393.db2.gz LVDSUBYHAJTGGN-WQVCFCJDSA-N 0 0 295.398 3.777 20 10 CHCDRN CC[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccc(F)cc1[O-] ZINC000883357717 1125401321 /nfs/dbraw/zinc/40/13/21/1125401321.db2.gz RMTPIHADGOXFRL-HIFRSBDPSA-N 0 0 293.382 3.674 20 10 CHCDRN CN(CCSc1ccccc1)c1ccc2c(c1)OCO2 ZINC001168214662 1125415178 /nfs/dbraw/zinc/41/51/78/1125415178.db2.gz GNNOEDDKFJMIOV-UHFFFAOYSA-N 0 0 287.384 3.644 20 10 CHCDRN CCCN(Cc1cccc(OCC)c1O)CC(F)(F)F ZINC000132539163 1125419186 /nfs/dbraw/zinc/41/91/86/1125419186.db2.gz FNZHQIYQJJEJRH-UHFFFAOYSA-N 0 0 291.313 3.565 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H]1CC[C@@H](C)C1 ZINC000133009446 1125429298 /nfs/dbraw/zinc/42/92/98/1125429298.db2.gz MQGLVTBIIRDQLO-CABCVRRESA-N 0 0 289.419 3.957 20 10 CHCDRN Cc1ncc(CSc2ncc(C(C)(C)C)s2)cn1 ZINC000795219634 1129191516 /nfs/dbraw/zinc/19/15/16/1129191516.db2.gz BAZYCYHLLAYVMB-UHFFFAOYSA-N 0 0 279.434 3.831 20 10 CHCDRN C[N@H+](Cc1cccc(O)c1)Cc1cc(F)cc(Cl)c1[O-] ZINC001237807881 1129194577 /nfs/dbraw/zinc/19/45/77/1129194577.db2.gz NKUQCIBAWREJBF-UHFFFAOYSA-N 0 0 295.741 3.522 20 10 CHCDRN CCc1ccc(NC(=S)NCc2ncc(C)cc2C)cc1 ZINC000244456848 1129200319 /nfs/dbraw/zinc/20/03/19/1129200319.db2.gz ZEQIIDZBAUEEIC-UHFFFAOYSA-N 0 0 299.443 3.747 20 10 CHCDRN CC(F)(F)CCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000296125378 1129220697 /nfs/dbraw/zinc/22/06/97/1129220697.db2.gz UCJXVRPFCBVYQJ-UHFFFAOYSA-N 0 0 263.715 3.571 20 10 CHCDRN COc1ncc(-c2cccc3c2cc(C)n3C)cc1F ZINC001239518500 1131359321 /nfs/dbraw/zinc/35/93/21/1131359321.db2.gz KSHNNYGHWVWYJT-UHFFFAOYSA-N 0 0 270.307 3.696 20 10 CHCDRN CN(Cc1ccccc1O)c1nc2ccccc2s1 ZINC000089635408 1129243707 /nfs/dbraw/zinc/24/37/07/1129243707.db2.gz RLWCABXRRFGWDJ-UHFFFAOYSA-N 0 0 270.357 3.638 20 10 CHCDRN Cc1cc(N(C)C)cc(C)c1NCc1cc(F)ccc1O ZINC000184786132 1129251242 /nfs/dbraw/zinc/25/12/42/1129251242.db2.gz BWKRSZDHIUFZNK-UHFFFAOYSA-N 0 0 288.366 3.826 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)c1ncccc1C ZINC000282616161 1129273647 /nfs/dbraw/zinc/27/36/47/1129273647.db2.gz ZLNSUAUILBKVKZ-UHFFFAOYSA-N 0 0 298.386 3.538 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNC(=O)CC1CCCCC1 ZINC000734403978 1129308087 /nfs/dbraw/zinc/30/80/87/1129308087.db2.gz BGCZBPOSJWQYDE-UHFFFAOYSA-N 0 0 288.435 3.648 20 10 CHCDRN CCC[C@@H](C)CC(=O)NCc1ccc(N(C)C)cc1C ZINC000734405566 1129308467 /nfs/dbraw/zinc/30/84/67/1129308467.db2.gz PXWUQTJNHXFGQJ-CYBMUJFWSA-N 0 0 276.424 3.504 20 10 CHCDRN Cc1ccc(NC(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000734518258 1129311440 /nfs/dbraw/zinc/31/14/40/1129311440.db2.gz UFNCPNJIJKBDMK-UHFFFAOYSA-N 0 0 297.402 3.691 20 10 CHCDRN C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC000252774907 1129326581 /nfs/dbraw/zinc/32/65/81/1129326581.db2.gz ODWCAXDQJAIFRS-WZRBSPASSA-N 0 0 267.800 3.960 20 10 CHCDRN Cn1ccc2c1ccnc2-c1cncc(C(F)(F)F)c1 ZINC001240790399 1129356382 /nfs/dbraw/zinc/35/63/82/1129356382.db2.gz UETPQGKHJMNEOH-UHFFFAOYSA-N 0 0 277.249 3.654 20 10 CHCDRN CCOc1ccc(N(C)Cc2nc3ccccc3n2C)cc1 ZINC000739922987 1129409753 /nfs/dbraw/zinc/40/97/53/1129409753.db2.gz UDLMIQNYJAEQAG-UHFFFAOYSA-N 0 0 295.386 3.608 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](C)C[C@H]2C)cc1 ZINC000740840141 1129421197 /nfs/dbraw/zinc/42/11/97/1129421197.db2.gz SUANVOYTHKGKQZ-XJKSGUPXSA-N 0 0 296.414 3.965 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H](C)C(C)C)c1ccc(F)cc1[O-] ZINC000796771271 1129432093 /nfs/dbraw/zinc/43/20/93/1129432093.db2.gz IHQQCCYOMSHZJM-RISCZKNCSA-N 0 0 253.361 3.864 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H](C)C(C)C)c1ccc(F)cc1[O-] ZINC000796771273 1129432303 /nfs/dbraw/zinc/43/23/03/1129432303.db2.gz IHQQCCYOMSHZJM-SMDDNHRTSA-N 0 0 253.361 3.864 20 10 CHCDRN Cc1cc(F)ccc1CC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000094950730 1129456601 /nfs/dbraw/zinc/45/66/01/1129456601.db2.gz MKLWWFVNFSXNLX-GFCCVEGCSA-N 0 0 291.341 3.872 20 10 CHCDRN Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)sc1C ZINC000827981997 1131376535 /nfs/dbraw/zinc/37/65/35/1131376535.db2.gz KHTUQTVEYKYJPR-JTQLQIEISA-N 0 0 275.373 3.562 20 10 CHCDRN C[C@H](NC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1O ZINC000827981693 1131376643 /nfs/dbraw/zinc/37/66/43/1131376643.db2.gz FEEJZPQUKIOJCW-SUMWQHHRSA-N 0 0 295.382 3.690 20 10 CHCDRN CCOCCN(Cc1cccs1)c1ccc(OC)cc1 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C[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000168860577 1131199782 /nfs/dbraw/zinc/19/97/82/1131199782.db2.gz JSAZKOLLTZJRIW-JQWIXIFHSA-N 0 0 251.345 3.761 20 10 CHCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@@H](C)F ZINC000818298397 1131207867 /nfs/dbraw/zinc/20/78/67/1131207867.db2.gz RLTFQGSHVMPUQQ-SNVBAGLBSA-N 0 0 294.395 3.634 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1cc(Cl)ccc1O ZINC001118239155 1131216244 /nfs/dbraw/zinc/21/62/44/1131216244.db2.gz YXLUDNUJNCORLF-WCQGTBRESA-N 0 0 271.763 3.977 20 10 CHCDRN Nc1ccc(NC(=O)CC2CC(c3ccccc3)C2)cc1 ZINC000818556328 1131216973 /nfs/dbraw/zinc/21/69/73/1131216973.db2.gz MFWURROFXZJNQJ-UHFFFAOYSA-N 0 0 280.371 3.791 20 10 CHCDRN CC[C@H](C)n1ncc(C(=O)Nc2ccc(N)cc2)c1C1CC1 ZINC000818556464 1131217012 /nfs/dbraw/zinc/21/70/12/1131217012.db2.gz STPQKVBKVJQNKU-NSHDSACASA-N 0 0 298.390 3.566 20 10 CHCDRN C[C@H](NC(=O)/C=C/C1CCCCC1)c1ccccc1O ZINC000827978234 1131229797 /nfs/dbraw/zinc/22/97/97/1131229797.db2.gz LQOFFRNUNYYUND-YLSINNKHSA-N 0 0 273.376 3.706 20 10 CHCDRN C[N@H+](Cc1c([O-])cccc1F)[C@H]1CCc2ccccc21 ZINC001137841322 1131422051 /nfs/dbraw/zinc/42/20/51/1131422051.db2.gz AHRCEZINRBGEPZ-INIZCTEOSA-N 0 0 271.335 3.651 20 10 CHCDRN C[C@@H]1CCC[C@]1(C)C(=O)NCCCSc1nccs1 ZINC000823298436 1131422720 /nfs/dbraw/zinc/42/27/20/1131422720.db2.gz RPBSNKAFHFJHCK-RISCZKNCSA-N 0 0 298.477 3.568 20 10 CHCDRN Cc1ccccc1[C@@H](NC(=O)c1cccc(O)c1O)C(C)C ZINC001136736963 1131431118 /nfs/dbraw/zinc/43/11/18/1131431118.db2.gz ULWHYBJWPSEOLO-INIZCTEOSA-N 0 0 299.370 3.533 20 10 CHCDRN c1cc2c(c(Nc3ccc4c(c3)CCCN4)c1)CCN2 ZINC001160278860 1131438629 /nfs/dbraw/zinc/43/86/29/1131438629.db2.gz XWBNFWFVKPAUHA-UHFFFAOYSA-N 0 0 265.360 3.756 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC1(C)C ZINC000830141229 1131446432 /nfs/dbraw/zinc/44/64/32/1131446432.db2.gz PDSKHLKULCLJNZ-AWEZNQCLSA-N 0 0 275.392 3.567 20 10 CHCDRN Cc1cc(C[N@@H+]2CC[C@H](F)C2)ccc1N1CCCCC1 ZINC000830480488 1131458660 /nfs/dbraw/zinc/45/86/60/1131458660.db2.gz QQMDUFXLXGFQEX-INIZCTEOSA-N 0 0 276.399 3.529 20 10 CHCDRN Cc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(F)c2[O-])cn1 ZINC001138129596 1131469615 /nfs/dbraw/zinc/46/96/15/1131469615.db2.gz LWJBIALYYPVGLE-MRXNPFEDSA-N 0 0 286.350 3.572 20 10 CHCDRN Cc1ccc(CC[N@@H+](C)Cc2cccc(F)c2[O-])cc1 ZINC001138128771 1131469890 /nfs/dbraw/zinc/46/98/90/1131469890.db2.gz ZNSRDYFODTVZHA-UHFFFAOYSA-N 0 0 273.351 3.514 20 10 CHCDRN CN(C)c1ccc(CNc2ccccc2OCCF)cc1 ZINC000824559072 1131474374 /nfs/dbraw/zinc/47/43/74/1131474374.db2.gz DVSTXZCPDZGABP-UHFFFAOYSA-N 0 0 288.366 3.713 20 10 CHCDRN c1cnc2c(c1)CN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138214199 1131477671 /nfs/dbraw/zinc/47/76/71/1131477671.db2.gz XNVGRNKUCQUGMO-UHFFFAOYSA-N 0 0 293.414 3.588 20 10 CHCDRN CS[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000824683436 1131480007 /nfs/dbraw/zinc/48/00/07/1131480007.db2.gz JRTGJOSUNMTSBX-JTQLQIEISA-N 0 0 292.231 3.636 20 10 CHCDRN Cc1cc(O)c(C[NH2+][C@@H](C)Cc2ccco2)cc1Cl ZINC000825089546 1131498717 /nfs/dbraw/zinc/49/87/17/1131498717.db2.gz DTYKKGFQRYIJTR-NSHDSACASA-N 0 0 279.767 3.668 20 10 CHCDRN CCc1ccc(NCc2c(O)cccc2OC)cc1OC ZINC000825112774 1131499261 /nfs/dbraw/zinc/49/92/61/1131499261.db2.gz WWQYWYCBIKEYNP-UHFFFAOYSA-N 0 0 287.359 3.584 20 10 CHCDRN C[C@H](C(=O)NCCCSc1nccs1)C1CCCC1 ZINC000749389503 1131505096 /nfs/dbraw/zinc/50/50/96/1131505096.db2.gz BQCRLJGITGJQTM-NSHDSACASA-N 0 0 298.477 3.568 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)c1cccc2c1CCCC2 ZINC000825481186 1131514420 /nfs/dbraw/zinc/51/44/20/1131514420.db2.gz FVIOKGFXWLACPH-UHFFFAOYSA-N 0 0 295.382 3.543 20 10 CHCDRN Cc1cc(C)cc(NC(=O)Nc2nc3ccccc3n2C)c1 ZINC001202836868 1131515209 /nfs/dbraw/zinc/51/52/09/1131515209.db2.gz WUCQYKQSODTQSN-UHFFFAOYSA-N 0 0 294.358 3.834 20 10 CHCDRN C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ccc(N)cc2)o1 ZINC000832250399 1131549568 /nfs/dbraw/zinc/54/95/68/1131549568.db2.gz PPBSXRBIVNHMOA-XHDPSFHLSA-N 0 0 284.359 3.557 20 10 CHCDRN CN(Cc1ccccc1O)Cc1c(F)cc(Cl)cc1F ZINC001139053991 1131577529 /nfs/dbraw/zinc/57/75/29/1131577529.db2.gz ORFKGTJENKGAGA-UHFFFAOYSA-N 0 0 297.732 3.956 20 10 CHCDRN CCC[C@H](CC)S(=O)(=O)Nc1cc(C)c(O)c(C)c1C ZINC000844664103 1131591526 /nfs/dbraw/zinc/59/15/26/1131591526.db2.gz SCTMDINTRSMOGT-ZDUSSCGKSA-N 0 0 299.436 3.638 20 10 CHCDRN CCC[N@H+](CC)Cc1cc(Br)c(F)cc1[O-] ZINC001144299428 1131612841 /nfs/dbraw/zinc/61/28/41/1131612841.db2.gz WRBJNQMXMQXIOJ-UHFFFAOYSA-N 0 0 290.176 3.526 20 10 CHCDRN C[C@@H]1CC[C@H](C)[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000792170642 1131624160 /nfs/dbraw/zinc/62/41/60/1131624160.db2.gz STNCAWIXDOHASR-DTORHVGOSA-N 0 0 257.736 3.558 20 10 CHCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC001139685208 1131628560 /nfs/dbraw/zinc/62/85/60/1131628560.db2.gz AWXCJACDSYLETG-OAHLLOKOSA-N 0 0 275.298 3.617 20 10 CHCDRN C[N@H+](Cc1c(F)ccc(F)c1[O-])[C@@H]1CCc2ccccc21 ZINC001139690198 1131629203 /nfs/dbraw/zinc/62/92/03/1131629203.db2.gz SPHPSIHOSGSSJE-MRXNPFEDSA-N 0 0 289.325 3.790 20 10 CHCDRN CC(C)c1nsc(NCc2cc(Cl)ccc2O)n1 ZINC000845709949 1131652636 /nfs/dbraw/zinc/65/26/36/1131652636.db2.gz ZVYOZESAFHKEOD-UHFFFAOYSA-N 0 0 283.784 3.633 20 10 CHCDRN COc1cccc([C@H](C)Nc2ccc(C)cc2OC)c1O ZINC000846159342 1131692686 /nfs/dbraw/zinc/69/26/86/1131692686.db2.gz JRXZTXKKZLAZMI-LBPRGKRZSA-N 0 0 287.359 3.891 20 10 CHCDRN CC(C)CCn1ccc(N[C@@H]2CCc3cccc(O)c32)n1 ZINC000834730541 1131699138 /nfs/dbraw/zinc/69/91/38/1131699138.db2.gz ZEFOEHSEQBDORF-CQSZACIVSA-N 0 0 285.391 3.734 20 10 CHCDRN Cc1ccc(CC(C)(C)NC(=O)C2=CC(=O)CS2)cc1 ZINC000846653839 1131717953 /nfs/dbraw/zinc/71/79/53/1131717953.db2.gz DHUFMHIFCXVMSO-UHFFFAOYSA-N 0 0 289.400 3.513 20 10 CHCDRN CC[C@H]([NH2+]Cc1cnccc1C)c1cccc(Cl)c1[O-] ZINC000834887593 1131719519 /nfs/dbraw/zinc/71/95/19/1131719519.db2.gz VKXBBRZUFSTIDC-HNNXBMFYSA-N 0 0 290.794 3.990 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1cnn(CC)c1)c1ccc(F)cc1[O-] ZINC000834906196 1131729287 /nfs/dbraw/zinc/72/92/87/1131729287.db2.gz WKJJMDWRVLWKLU-ABAIWWIYSA-N 0 0 291.370 3.550 20 10 CHCDRN C[C@@H](Nc1cccc2c1OCC2)c1ccc(N(C)C)cc1 ZINC000846751570 1131730303 /nfs/dbraw/zinc/73/03/03/1131730303.db2.gz WPOVWSYYZRLKIQ-CYBMUJFWSA-N 0 0 282.387 3.861 20 10 CHCDRN Cc1ccc([C@@H](C)Nc2cccc(CCO)c2)c(O)c1C ZINC000834912980 1131732345 /nfs/dbraw/zinc/73/23/45/1131732345.db2.gz NUJNXOKBJZJQQH-CQSZACIVSA-N 0 0 285.387 3.717 20 10 CHCDRN Cc1cccc(CNc2nccc3c(Cl)ccnc32)c1O ZINC001160765137 1131742716 /nfs/dbraw/zinc/74/27/16/1131742716.db2.gz UEDGVYTZNJSUQB-UHFFFAOYSA-N 0 0 299.761 3.909 20 10 CHCDRN Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC001140466243 1131751979 /nfs/dbraw/zinc/75/19/79/1131751979.db2.gz CIFNWKQUCMGFOH-HNNXBMFYSA-N 0 0 288.778 3.778 20 10 CHCDRN Oc1cc(Cl)ccc1C[N@@H+]1CCc2ccsc2C1 ZINC001140466387 1131752424 /nfs/dbraw/zinc/75/24/24/1131752424.db2.gz FEYYXEDWPSYJKN-UHFFFAOYSA-N 0 0 279.792 3.665 20 10 CHCDRN Oc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001140467243 1131753013 /nfs/dbraw/zinc/75/30/13/1131753013.db2.gz RIJQJHSQZFWCCM-JTQLQIEISA-N 0 0 293.716 3.820 20 10 CHCDRN C/C(=C/c1cccnc1)C(=O)N1CCCCc2sccc21 ZINC000847011835 1131769928 /nfs/dbraw/zinc/76/99/28/1131769928.db2.gz RMIGCIJAVOYKPG-QBFSEMIESA-N 0 0 298.411 3.916 20 10 CHCDRN C[C@H](Oc1ccc(N(C)C)cc1)c1cccc(N(C)C)c1 ZINC001227939056 1131772635 /nfs/dbraw/zinc/77/26/35/1131772635.db2.gz JXRNYAASNFNYPZ-AWEZNQCLSA-N 0 0 284.403 3.959 20 10 CHCDRN C[C@@H](Oc1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC001227938920 1131772667 /nfs/dbraw/zinc/77/26/67/1131772667.db2.gz HIBPLWXUIWOMMG-GFCCVEGCSA-N 0 0 286.331 3.801 20 10 CHCDRN C[C@@H](Cc1ccccc1)Oc1ccc(N(C)C)cc1 ZINC001227939047 1131772966 /nfs/dbraw/zinc/77/29/66/1131772966.db2.gz JGZHAXZIYJDYHJ-AWEZNQCLSA-N 0 0 255.361 3.763 20 10 CHCDRN CC[N@H+](Cc1c([O-])cc(F)cc1F)C1CCCCC1 ZINC001140580037 1131805970 /nfs/dbraw/zinc/80/59/70/1131805970.db2.gz PHXXJIKLGHTYGX-UHFFFAOYSA-N 0 0 269.335 3.825 20 10 CHCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1ccco1 ZINC001147107099 1131810587 /nfs/dbraw/zinc/81/05/87/1131810587.db2.gz OWSZXJXYSYSBGR-MRXNPFEDSA-N 0 0 299.370 3.655 20 10 CHCDRN CC[N@H+](Cc1ccc(OC)cc1C)Cc1ccccc1O ZINC001140676832 1131857638 /nfs/dbraw/zinc/85/76/38/1131857638.db2.gz NIJRHZVWRGVJFQ-UHFFFAOYSA-N 0 0 285.387 3.731 20 10 CHCDRN O=C1C=CC=CC1=NNc1ccccc1OC1COC1 ZINC001228418281 1131878404 /nfs/dbraw/zinc/87/84/04/1131878404.db2.gz HJISORQJQKVZGA-WUKNDPDISA-N 0 0 270.288 3.585 20 10 CHCDRN O=C1C[C@H](Oc2ccccc2NN=C2C=CC=CC2=O)CO1 ZINC001228420567 1131879908 /nfs/dbraw/zinc/87/99/08/1131879908.db2.gz WFKHAQYXDVUVBE-SHYALIGYSA-N 0 0 298.298 3.502 20 10 CHCDRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000772998397 1131908719 /nfs/dbraw/zinc/90/87/19/1131908719.db2.gz JNJBOAUOTHISOT-HNNXBMFYSA-N 0 0 296.414 3.860 20 10 CHCDRN C[C@H](NC(=O)C[C@@H]1CCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000773009685 1131917996 /nfs/dbraw/zinc/91/79/96/1131917996.db2.gz LNQPRZYFJCAENM-YCPHGPKFSA-N 0 0 288.435 3.756 20 10 CHCDRN CCC(C)(CC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773018763 1131920899 /nfs/dbraw/zinc/92/08/99/1131920899.db2.gz ZZXGDQGPCPHHAD-ZDUSSCGKSA-N 0 0 276.424 3.756 20 10 CHCDRN C[C@H](NC(=O)/C=C\c1ccccc1)c1ccc(N(C)C)cc1 ZINC000773019761 1131920931 /nfs/dbraw/zinc/92/09/31/1131920931.db2.gz ZPGYTRWQUDJOCI-MZLJFPOFSA-N 0 0 294.398 3.643 20 10 CHCDRN CC(C)n1cccc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773023492 1131922513 /nfs/dbraw/zinc/92/25/13/1131922513.db2.gz YSPFGKYUHUYGOV-AWEZNQCLSA-N 0 0 299.418 3.626 20 10 CHCDRN Oc1cc2ccccc2cc1CNc1nncc2ccoc21 ZINC001171402942 1131970708 /nfs/dbraw/zinc/97/07/08/1131970708.db2.gz VAUKACVRFASUJZ-UHFFFAOYSA-N 0 0 291.310 3.694 20 10 CHCDRN Cc1nnc(NCc2cc3ccccc3cc2O)c(C)c1C ZINC001171402770 1131970783 /nfs/dbraw/zinc/97/07/83/1131970783.db2.gz RMZGJMIXCIZCKO-UHFFFAOYSA-N 0 0 293.370 3.873 20 10 CHCDRN C[C@H](NC(=O)C1=CC[C@H](C)CC1)c1ccc(N(C)C)cc1 ZINC000836782660 1131992864 /nfs/dbraw/zinc/99/28/64/1131992864.db2.gz CFZOOPFOLRNWQG-KBPBESRZSA-N 0 0 286.419 3.676 20 10 CHCDRN CC[C@H](C)[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773248145 1132011819 /nfs/dbraw/zinc/01/18/19/1132011819.db2.gz XBTOTVLFBDTTDH-MJBXVCDLSA-N 0 0 291.439 3.547 20 10 CHCDRN CC(C)[C@@]1(C)C[C@H]1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773283027 1132019805 /nfs/dbraw/zinc/01/98/05/1132019805.db2.gz NZETVQQIOQWFDG-QANKJYHBSA-N 0 0 288.435 3.612 20 10 CHCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCC1=CCCCC1 ZINC000837589424 1132087385 /nfs/dbraw/zinc/08/73/85/1132087385.db2.gz YZZHTQMFDKMOJJ-VQHVLOKHSA-N 0 0 288.343 3.545 20 10 CHCDRN COc1ccc2c(c1)CCCN2C[C@@H]1CC1(Cl)Cl ZINC000838569248 1132141167 /nfs/dbraw/zinc/14/11/67/1132141167.db2.gz ZYAZLYPQPFERHI-NSHDSACASA-N 0 0 286.202 3.642 20 10 CHCDRN CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000839628413 1132227103 /nfs/dbraw/zinc/22/71/03/1132227103.db2.gz RGSFSPQPUPDRSQ-HNNXBMFYSA-N 0 0 286.331 3.541 20 10 CHCDRN Cc1nnc([C@@H](C)Sc2ncc(C(C)(C)C)s2)[nH]1 ZINC000840198668 1132249604 /nfs/dbraw/zinc/24/96/04/1132249604.db2.gz BQPKGOBBDDDESV-SSDOTTSWSA-N 0 0 282.438 3.720 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCO[C@H]1CC)c1cccc(Cl)c1[O-] ZINC000840819963 1132290088 /nfs/dbraw/zinc/29/00/88/1132290088.db2.gz FGDGCUWIJSMHHQ-MJBXVCDLSA-N 0 0 283.799 3.654 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)[C@](C)(OC)C1CC1)c1ccc(F)cc1[O-] ZINC000840858654 1132295598 /nfs/dbraw/zinc/29/55/98/1132295598.db2.gz FURVOAHOPLMRLP-PJQXDXOGSA-N 0 0 295.398 3.776 20 10 CHCDRN C[N@H+](Cc1ccccc1O)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172724172 1132297757 /nfs/dbraw/zinc/29/77/57/1132297757.db2.gz KVDIQTPUOSOXNQ-INIZCTEOSA-N 0 0 287.790 3.645 20 10 CHCDRN Cc1cc(O)c(CNc2nnc(CC(C)C)o2)c(Cl)c1 ZINC000840879550 1132301388 /nfs/dbraw/zinc/30/13/88/1132301388.db2.gz OCRZPBXWVLZPLM-UHFFFAOYSA-N 0 0 295.770 3.548 20 10 CHCDRN C[C@@H](Nc1cccc([C@H]2CCC(=O)N2)c1)c1ccccc1O ZINC000840884402 1132303078 /nfs/dbraw/zinc/30/30/78/1132303078.db2.gz MBNBWAYAVASSDP-MLGOLLRUSA-N 0 0 296.370 3.516 20 10 CHCDRN Cc1cc(O)c(CN(C)Cc2cccc(O)c2)c(Cl)c1 ZINC000840908953 1132308114 /nfs/dbraw/zinc/30/81/14/1132308114.db2.gz ZHYORUSUFROZCS-UHFFFAOYSA-N 0 0 291.778 3.692 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)CCO2 ZINC000840932622 1132309335 /nfs/dbraw/zinc/30/93/35/1132309335.db2.gz BXCPHMIRRJBZLP-UHFFFAOYSA-N 0 0 282.387 3.608 20 10 CHCDRN COC(=O)[C@@H](C)c1cccc(NCc2cc(C)ccc2O)c1 ZINC000840957591 1132314172 /nfs/dbraw/zinc/31/41/72/1132314172.db2.gz LKGKELMTHQJTMD-ZDUSSCGKSA-N 0 0 299.370 3.589 20 10 CHCDRN CCC[N@H+](Cc1ccccc1)Cc1cc(C(=O)[O-])ccc1O ZINC001231563033 1132315385 /nfs/dbraw/zinc/31/53/85/1132315385.db2.gz DINRHXHJFINYCC-UHFFFAOYSA-N 0 0 299.370 3.503 20 10 CHCDRN CC(C)Oc1cccc(CNc2ccc(N)cc2)c1 ZINC000841040291 1132322822 /nfs/dbraw/zinc/32/28/22/1132322822.db2.gz NNMZMBQINWRTQS-UHFFFAOYSA-N 0 0 256.349 3.668 20 10 CHCDRN CC(C)(CNC(=O)Nc1ccc(N)cc1)Cc1ccccc1 ZINC000841300202 1132342716 /nfs/dbraw/zinc/34/27/16/1132342716.db2.gz MRACJWHXFIAYFW-UHFFFAOYSA-N 0 0 297.402 3.659 20 10 CHCDRN CC(C)(CNC(=O)Nc1ccc(N)cc1)C1=CCCC1 ZINC000841298615 1132343249 /nfs/dbraw/zinc/34/32/49/1132343249.db2.gz RHBUMGGKOUVFRS-UHFFFAOYSA-N 0 0 273.380 3.527 20 10 CHCDRN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)Nc1ccc(N)cc1 ZINC000841298852 1132343295 /nfs/dbraw/zinc/34/32/95/1132343295.db2.gz DOXLHHLUNKQETL-CXAGYDPISA-N 0 0 295.386 3.679 20 10 CHCDRN CC(C)C1CCC(CNC(=O)Nc2ccc(N)cc2)CC1 ZINC000841297181 1132343696 /nfs/dbraw/zinc/34/36/96/1132343696.db2.gz BVXQIPIPUSKFAI-UHFFFAOYSA-N 0 0 289.423 3.853 20 10 CHCDRN CCCC[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841301387 1132344385 /nfs/dbraw/zinc/34/43/85/1132344385.db2.gz NETMSXFAAJTZHU-WFASDCNBSA-N 0 0 275.396 3.749 20 10 CHCDRN CC(C)(C)CCCCNC(=O)Nc1ccc(N)cc1 ZINC000841300548 1132344857 /nfs/dbraw/zinc/34/48/57/1132344857.db2.gz RSEYHDUMAHFHKT-UHFFFAOYSA-N 0 0 263.385 3.607 20 10 CHCDRN Cc1sccc1/C=C1\SC(=S)N(C2CCC2)C1=O ZINC000841498450 1132369486 /nfs/dbraw/zinc/36/94/86/1132369486.db2.gz ODKLHAKXCHISCV-XFFZJAGNSA-N 0 0 295.454 3.810 20 10 CHCDRN Cc1cc(O)c(CN2CCCCC(F)(F)C2)cc1Cl ZINC001231866298 1132381019 /nfs/dbraw/zinc/38/10/19/1132381019.db2.gz CKIMCVKJZSEIAT-UHFFFAOYSA-N 0 0 289.753 3.975 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C1(C)CC1 ZINC000841750484 1132389591 /nfs/dbraw/zinc/38/95/91/1132389591.db2.gz QKIILSDBUVEHFH-VHSXEESVSA-N 0 0 253.773 3.885 20 10 CHCDRN CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841747820 1132390880 /nfs/dbraw/zinc/39/08/80/1132390880.db2.gz DVJGUFRBVBXVGN-JRPNMDOOSA-N 0 0 283.799 3.511 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc(Cl)cc1[O-] ZINC000841751805 1132391141 /nfs/dbraw/zinc/39/11/41/1132391141.db2.gz KOJXJDJWYLEHPC-WNMQOVRZSA-N 0 0 295.810 3.654 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(Cl)cc1[O-] ZINC000841755611 1132392017 /nfs/dbraw/zinc/39/20/17/1132392017.db2.gz KHOGTDDHPJLKAL-WISYIIOYSA-N 0 0 283.799 3.510 20 10 CHCDRN CCc1nn(C)cc1N[C@@H](C)c1ccc(Cl)cc1O ZINC000841753686 1132392080 /nfs/dbraw/zinc/39/20/80/1132392080.db2.gz NFQJBGRBNWDRLA-VIFPVBQESA-N 0 0 279.771 3.515 20 10 CHCDRN CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C12CCC2 ZINC000841753336 1132392428 /nfs/dbraw/zinc/39/24/28/1132392428.db2.gz GYLWDCXJNSXXDY-WKPIXPDZSA-N 0 0 295.810 3.654 20 10 CHCDRN CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])C12CCC2 ZINC000841753329 1132392444 /nfs/dbraw/zinc/39/24/44/1132392444.db2.gz GYLWDCXJNSXXDY-COLVAYQJSA-N 0 0 295.810 3.654 20 10 CHCDRN CC(C)OCCCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841754948 1132392477 /nfs/dbraw/zinc/39/24/77/1132392477.db2.gz WZIPQKWNBUEYOW-GFCCVEGCSA-N 0 0 285.815 3.901 20 10 CHCDRN CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841754147 1132392505 /nfs/dbraw/zinc/39/25/05/1132392505.db2.gz HRVGPWAZKKWCBC-STQMWFEESA-N 0 0 299.842 3.741 20 10 CHCDRN CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])C12CCC2 ZINC000841753334 1132392603 /nfs/dbraw/zinc/39/26/03/1132392603.db2.gz GYLWDCXJNSXXDY-VCTAVGKDSA-N 0 0 295.810 3.654 20 10 CHCDRN Cc1cnccc1CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841752924 1132392768 /nfs/dbraw/zinc/39/27/68/1132392768.db2.gz WDVNYVMCDWLONG-GFCCVEGCSA-N 0 0 290.794 3.642 20 10 CHCDRN C[C@H](C[C@H]1CCOC1)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841760716 1132393649 /nfs/dbraw/zinc/39/36/49/1132393649.db2.gz UJVPJNKERJKOPP-IJLUTSLNSA-N 0 0 283.799 3.511 20 10 CHCDRN C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc(Cl)cc1[O-] ZINC000841756861 1132395345 /nfs/dbraw/zinc/39/53/45/1132395345.db2.gz KXYUJOXAKSEBLU-NWDGAFQWSA-N 0 0 283.799 3.513 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001231910336 1132398877 /nfs/dbraw/zinc/39/88/77/1132398877.db2.gz LSRWJMVCNVSXKS-KOLCDFICSA-N 0 0 287.737 3.523 20 10 CHCDRN CC(C)(C)C1CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142508950 1132403062 /nfs/dbraw/zinc/40/30/62/1132403062.db2.gz QQJLOPVXBPCYFS-UHFFFAOYSA-N 0 0 283.362 3.929 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1ccc(Cl)cc1[O-] ZINC000842892388 1132475201 /nfs/dbraw/zinc/47/52/01/1132475201.db2.gz CAJPBLCFGTWUGF-DTWKUNHWSA-N 0 0 277.742 3.988 20 10 CHCDRN CC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C(C)(C)C)c1O ZINC001143111920 1132504115 /nfs/dbraw/zinc/50/41/15/1132504115.db2.gz IHTFIHWTPGCYAQ-INIZCTEOSA-N 0 0 289.419 3.633 20 10 CHCDRN Cc1sc(Cc2ccc(N)cc2)nc1C1CCOCC1 ZINC000843289566 1132515659 /nfs/dbraw/zinc/51/56/59/1132515659.db2.gz UXZCYKWWBBPESO-UHFFFAOYSA-N 0 0 288.416 3.519 20 10 CHCDRN Oc1ccccc1CN1CCc2sc(Cl)cc2C1 ZINC000843414672 1132530591 /nfs/dbraw/zinc/53/05/91/1132530591.db2.gz AWSRUYMTGAUAOD-UHFFFAOYSA-N 0 0 279.792 3.665 20 10 CHCDRN CCc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC001233078555 1132568975 /nfs/dbraw/zinc/56/89/75/1132568975.db2.gz YSAQXXXEGFYWTP-UHFFFAOYSA-N 0 0 291.341 3.865 20 10 CHCDRN C[C@H](NC(=O)CCCC1CCCC1)c1ccccc1O ZINC001151892379 1132574989 /nfs/dbraw/zinc/57/49/89/1132574989.db2.gz PSQWJAMMXGWGQZ-ZDUSSCGKSA-N 0 0 275.392 3.930 20 10 CHCDRN CC1(C)CCC(=CC(=O)N2Cc3cccc(O)c3C2)CC1 ZINC001152573244 1132584694 /nfs/dbraw/zinc/58/46/94/1132584694.db2.gz KEXRGPTZHDPQNI-UHFFFAOYSA-N 0 0 285.387 3.761 20 10 CHCDRN CC[N@H+](Cc1ccc([S-])cc1)Cc1ccccc1O ZINC001233261995 1132591082 /nfs/dbraw/zinc/59/10/82/1132591082.db2.gz MXCLOKDZQKVJFF-UHFFFAOYSA-N 0 0 273.401 3.703 20 10 CHCDRN [O-]c1ccc(F)c(F)c1C[N@H+](Cc1ccccc1)C1CC1 ZINC001233335680 1132604352 /nfs/dbraw/zinc/60/43/52/1132604352.db2.gz GTMNLFXJBRLLQT-UHFFFAOYSA-N 0 0 289.325 3.835 20 10 CHCDRN O=C(NCc1ccccc1O)c1ccc2ccccc2c1F ZINC001154299405 1132611964 /nfs/dbraw/zinc/61/19/64/1132611964.db2.gz XJVCAFZGYOYWCV-UHFFFAOYSA-N 0 0 295.313 3.615 20 10 CHCDRN [O-]c1c(C[N@@H+]2CC3CCC2CC3)cccc1C(F)(F)F ZINC001233418544 1132620177 /nfs/dbraw/zinc/62/01/77/1132620177.db2.gz LJUIXEMQWMDOKV-UHFFFAOYSA-N 0 0 285.309 3.785 20 10 CHCDRN [O-]c1c(C[N@@H+]2CCCCC23CC3)cccc1C(F)(F)F ZINC001233419119 1132620999 /nfs/dbraw/zinc/62/09/99/1132620999.db2.gz KCIWFKWPQNDNTI-UHFFFAOYSA-N 0 0 285.309 3.930 20 10 CHCDRN CCN(Cc1ccccc1O)c1nccc(C(C)(C)C)n1 ZINC001154890408 1132630732 /nfs/dbraw/zinc/63/07/32/1132630732.db2.gz ZDZXQKWMKNPAPU-UHFFFAOYSA-N 0 0 285.391 3.506 20 10 CHCDRN CCN(Cc1ccccc1O)c1ncnc2c(C)cccc21 ZINC001154889648 1132630963 /nfs/dbraw/zinc/63/09/63/1132630963.db2.gz BUMXNYSSCZFUDI-UHFFFAOYSA-N 0 0 293.370 3.670 20 10 CHCDRN CCN1CCc2cc(O[C@H]3Cc4ccncc4[C@H]3C)ccc21 ZINC001233600989 1132646688 /nfs/dbraw/zinc/64/66/88/1132646688.db2.gz DNZOGLBFDMDFJF-YJYMSZOUSA-N 0 0 294.398 3.571 20 10 CHCDRN CCN1CCc2cc(O[C@@H](C)c3ncccc3F)ccc21 ZINC001233602596 1132646755 /nfs/dbraw/zinc/64/67/55/1132646755.db2.gz XHBGAYYSYJIKRV-LBPRGKRZSA-N 0 0 286.350 3.743 20 10 CHCDRN O=C(c1ccncc1)c1ccccc1Nc1ccoc1 ZINC001173936706 1132648507 /nfs/dbraw/zinc/64/85/07/1132648507.db2.gz RWBIIRVMCHHSRD-UHFFFAOYSA-N 0 0 264.284 3.649 20 10 CHCDRN C[C@H](CC(=O)NCc1c(O)ccc2ccccc21)C1CC1 ZINC001157041288 1132719028 /nfs/dbraw/zinc/71/90/28/1132719028.db2.gz BQKNALYUERGKCP-GFCCVEGCSA-N 0 0 283.371 3.598 20 10 CHCDRN O=C(C=C1CCCC1)NCc1c(O)ccc2ccccc21 ZINC001157041573 1132719326 /nfs/dbraw/zinc/71/93/26/1132719326.db2.gz JRSNQHGRQNXERP-UHFFFAOYSA-N 0 0 281.355 3.662 20 10 CHCDRN CN(c1ccc(N)cc1)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC001174127703 1132737740 /nfs/dbraw/zinc/73/77/40/1132737740.db2.gz DIPDQSZAOURKNG-UHFFFAOYSA-N 0 0 297.402 3.565 20 10 CHCDRN Cc1n[nH]c(C)c1Nc1ccccc1Cc1ccc(N)cc1 ZINC001174216966 1132762616 /nfs/dbraw/zinc/76/26/16/1132762616.db2.gz RZIBUSQSSAMXOK-UHFFFAOYSA-N 0 0 292.386 3.943 20 10 CHCDRN Cc1ccc2sc(Nc3ccc(N)cc3)nc2c1 ZINC001159124436 1132809893 /nfs/dbraw/zinc/80/98/93/1132809893.db2.gz XAKJRQDXLCYQJW-UHFFFAOYSA-N 0 0 255.346 3.931 20 10 CHCDRN Clc1cc(Nc2ccc3c(c2)CCCN3)ccn1 ZINC001159143523 1132811002 /nfs/dbraw/zinc/81/10/02/1132811002.db2.gz UIQRMLMPMBTLLX-UHFFFAOYSA-N 0 0 259.740 3.837 20 10 CHCDRN Nc1ccc(Nc2c(Cl)ccnc2Cl)cc1 ZINC001159171826 1132813540 /nfs/dbraw/zinc/81/35/40/1132813540.db2.gz UFBURVUTOMARMR-UHFFFAOYSA-N 0 0 254.120 3.714 20 10 CHCDRN Nc1ccc(Nc2snnc2-c2ccccc2)cc1 ZINC001159200439 1132815064 /nfs/dbraw/zinc/81/50/64/1132815064.db2.gz IIVBUKPFKHJSHR-UHFFFAOYSA-N 0 0 268.345 3.531 20 10 CHCDRN CCc1nc(Cl)c(Nc2ccc(N)cc2)c(Cl)n1 ZINC001159253791 1132819618 /nfs/dbraw/zinc/81/96/18/1132819618.db2.gz JQJVIOTYHVJAAX-UHFFFAOYSA-N 0 0 283.162 3.672 20 10 CHCDRN Nc1ccc(Nc2cncc(OCc3ccccc3)c2)cc1 ZINC001159282552 1132824302 /nfs/dbraw/zinc/82/43/02/1132824302.db2.gz YALSZZGQIUPIBS-UHFFFAOYSA-N 0 0 291.354 3.986 20 10 CHCDRN Nc1ccc(Nc2cnc3cc(F)ccc3c2)cc1 ZINC001159303761 1132826043 /nfs/dbraw/zinc/82/60/43/1132826043.db2.gz JVELNCAVVYNQDH-UHFFFAOYSA-N 0 0 253.280 3.700 20 10 CHCDRN CSc1ncc(Nc2ccc(N)cc2)cc1Cl ZINC001159485667 1132853733 /nfs/dbraw/zinc/85/37/33/1132853733.db2.gz PLXHPBILMYJLTF-UHFFFAOYSA-N 0 0 265.769 3.783 20 10 CHCDRN Nc1ccc(Nc2ccc(O)cc2C(F)(F)F)cc1 ZINC001159486092 1132854057 /nfs/dbraw/zinc/85/40/57/1132854057.db2.gz WNTKOYBRRQPBDN-UHFFFAOYSA-N 0 0 268.238 3.737 20 10 CHCDRN COc1ccc(F)c(Nc2ccc(N)cc2)c1Cl ZINC001159492343 1132855362 /nfs/dbraw/zinc/85/53/62/1132855362.db2.gz YMZARAVIIWLZBS-UHFFFAOYSA-N 0 0 266.703 3.814 20 10 CHCDRN O=c1ccc2c(Nc3ccc4c(c3)CCN4)cccc2[nH]1 ZINC001159522090 1132858435 /nfs/dbraw/zinc/85/84/35/1132858435.db2.gz CGUZDFXSFOZAHC-UHFFFAOYSA-N 0 0 277.327 3.652 20 10 CHCDRN Nc1ccc(F)cc1Nc1ccc2c(c1)CCCN2 ZINC001159591223 1132870097 /nfs/dbraw/zinc/87/00/97/1132870097.db2.gz FPUPTAYEENLDJM-UHFFFAOYSA-N 0 0 257.312 3.510 20 10 CHCDRN Nc1ccc(Nc2cccc(F)c2Br)cc1 ZINC001159603234 1132872712 /nfs/dbraw/zinc/87/27/12/1132872712.db2.gz CZUMKAQKWKCYPG-UHFFFAOYSA-N 0 0 281.128 3.914 20 10 CHCDRN COc1cccc(F)c1Nc1ccc2c(c1)CCCN2 ZINC001159649537 1132883950 /nfs/dbraw/zinc/88/39/50/1132883950.db2.gz RWXNIRVHZZCLKI-UHFFFAOYSA-N 0 0 272.323 3.936 20 10 CHCDRN CSc1nccc(NCc2cc3ccccc3cc2O)n1 ZINC001160206678 1132945594 /nfs/dbraw/zinc/94/55/94/1132945594.db2.gz OSLXIBZBDIJJQC-UHFFFAOYSA-N 0 0 297.383 3.669 20 10 CHCDRN Cc1ncnc(NCc2cc3ccccc3cc2O)c1C ZINC001160206048 1132945978 /nfs/dbraw/zinc/94/59/78/1132945978.db2.gz DKCBGUGORQXPDR-UHFFFAOYSA-N 0 0 279.343 3.564 20 10 CHCDRN CCc1cc(NCc2cc3ccccc3cc2O)nc(C)n1 ZINC001160206407 1132946016 /nfs/dbraw/zinc/94/60/16/1132946016.db2.gz IHACXOFKMQSQJN-UHFFFAOYSA-N 0 0 293.370 3.818 20 10 CHCDRN c1ccc(C2=NCCO2)c(Nc2ccc3c(c2)CCCN3)c1 ZINC001160223291 1132947559 /nfs/dbraw/zinc/94/75/59/1132947559.db2.gz UMNFFCUUZZEECZ-UHFFFAOYSA-N 0 0 293.370 3.565 20 10 CHCDRN Nc1ccc(Nc2ccccc2C(=O)c2ccncc2)cc1 ZINC001160263879 1132953778 /nfs/dbraw/zinc/95/37/78/1132953778.db2.gz LEMLVOGQKJMKJU-UHFFFAOYSA-N 0 0 289.338 3.638 20 10 CHCDRN CC1(C)CCNc2ccc(Nc3ccc4[nH]nnc4c3)cc21 ZINC001160331761 1132962578 /nfs/dbraw/zinc/96/25/78/1132962578.db2.gz DHWPTKUWEAEVNO-UHFFFAOYSA-N 0 0 293.374 3.795 20 10 CHCDRN CCCSc1cncc(NCc2cccc(C)c2O)n1 ZINC001160769973 1132980660 /nfs/dbraw/zinc/98/06/60/1132980660.db2.gz OHQOWIMLZQNMKB-UHFFFAOYSA-N 0 0 289.404 3.605 20 10 CHCDRN COc1cccc2c1ccnc2NCc1cccc(C)c1O ZINC001160769941 1132981263 /nfs/dbraw/zinc/98/12/63/1132981263.db2.gz NEKLHRQLZJRCHS-UHFFFAOYSA-N 0 0 294.354 3.870 20 10 CHCDRN Cc1cc(C)c(CNc2ncc(Cl)cc2F)c(O)c1 ZINC001160808100 1132982170 /nfs/dbraw/zinc/98/21/70/1132982170.db2.gz JZUNTWLOOGTHJT-UHFFFAOYSA-N 0 0 280.730 3.809 20 10 CHCDRN Cc1ccc2ncnc(NCc3c(C)cc(C)cc3O)c2c1 ZINC001160808110 1132981717 /nfs/dbraw/zinc/98/17/17/1132981717.db2.gz KMLUNXOAPZLWID-UHFFFAOYSA-N 0 0 293.370 3.873 20 10 CHCDRN COc1ccc(Cl)c(NCc2c(C)cc(C)cc2O)n1 ZINC001160810575 1132983221 /nfs/dbraw/zinc/98/32/21/1132983221.db2.gz SRUVTVKRQBQMEI-UHFFFAOYSA-N 0 0 292.766 3.678 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(NCc2nccc(C)n2)cc1 ZINC001162194139 1133058252 /nfs/dbraw/zinc/05/82/52/1133058252.db2.gz UQHFEEXWIKNEAU-UHFFFAOYSA-N 0 0 292.386 3.805 20 10 CHCDRN CNc1ccccc1NCCc1ccc(C(F)(F)F)nc1 ZINC001162616154 1133095363 /nfs/dbraw/zinc/09/53/63/1133095363.db2.gz KUKGPVFUAGPYKI-UHFFFAOYSA-N 0 0 295.308 3.797 20 10 CHCDRN Nc1ccc(CNc2ncc(F)c3ccccc32)cc1 ZINC001162785920 1133112175 /nfs/dbraw/zinc/11/21/75/1133112175.db2.gz PLYDOEAOLORDOE-UHFFFAOYSA-N 0 0 267.307 3.568 20 10 CHCDRN CC[C@H](C)c1nc2[nH]ccc2c(NCc2ccc(N)cc2)n1 ZINC001162789881 1133112241 /nfs/dbraw/zinc/11/22/41/1133112241.db2.gz NCGMQTJVBZWYLX-NSHDSACASA-N 0 0 295.390 3.666 20 10 CHCDRN CCc1nc(Cl)nc(Cl)c1NCc1ccc(N)cc1 ZINC001162790493 1133112394 /nfs/dbraw/zinc/11/23/94/1133112394.db2.gz UKEJVCVRNUCGKJ-UHFFFAOYSA-N 0 0 297.189 3.540 20 10 CHCDRN CC(C)c1ccc2ncnc(NCc3ccc(N)cc3)c2c1 ZINC001162786966 1133112420 /nfs/dbraw/zinc/11/24/20/1133112420.db2.gz DKBIMHPZSAIETG-UHFFFAOYSA-N 0 0 292.386 3.948 20 10 CHCDRN Nc1ccc(CNc2ccc3cc(F)ccc3n2)cc1 ZINC001162785385 1133112484 /nfs/dbraw/zinc/11/24/84/1133112484.db2.gz BTPUHMCSAUPNBG-UHFFFAOYSA-N 0 0 267.307 3.568 20 10 CHCDRN Nc1ccc(CNc2ccc3cccc(F)c3n2)cc1 ZINC001162787663 1133112839 /nfs/dbraw/zinc/11/28/39/1133112839.db2.gz PKDYIBNFSWBSDI-UHFFFAOYSA-N 0 0 267.307 3.568 20 10 CHCDRN Cc1ccc(Nc2nc(-c3ccncc3)cs2)c(C)n1 ZINC001203363164 1133318226 /nfs/dbraw/zinc/31/82/26/1133318226.db2.gz MTGCPLNWIPUHFV-UHFFFAOYSA-N 0 0 282.372 3.961 20 10 CHCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CC(F)(F)C1 ZINC001203571984 1133341423 /nfs/dbraw/zinc/34/14/23/1133341423.db2.gz SVANUOZCJXGUBX-UHFFFAOYSA-N 0 0 296.144 3.929 20 10 CHCDRN Oc1ccc(Cl)cc1CN1CCCC(F)(F)[C@@H](F)C1 ZINC001203651287 1133347733 /nfs/dbraw/zinc/34/77/33/1133347733.db2.gz LWBCYIWAQDZGEN-LBPRGKRZSA-N 0 0 293.716 3.615 20 10 CHCDRN Cc1ccc2c(c1)CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203665593 1133350917 /nfs/dbraw/zinc/35/09/17/1133350917.db2.gz OMXVFUYBSFXBSS-UHFFFAOYSA-N 0 0 287.790 3.912 20 10 CHCDRN Oc1ccc(CN2CCC[C@H]2c2ccccc2F)cc1O ZINC001203882773 1133379626 /nfs/dbraw/zinc/37/96/26/1133379626.db2.gz VEPBXRHZOIKGSJ-HNNXBMFYSA-N 0 0 287.334 3.574 20 10 CHCDRN CCN(Cc1ccc(N(CC)CC)cc1)CC(F)(F)F ZINC001203941572 1133388149 /nfs/dbraw/zinc/38/81/49/1133388149.db2.gz CEFMVHOBRLUKFH-UHFFFAOYSA-N 0 0 288.357 3.917 20 10 CHCDRN CCc1nc(CN(C)Cc2ccc(Cl)cc2O)cs1 ZINC001204851623 1133493099 /nfs/dbraw/zinc/49/30/99/1133493099.db2.gz OAVARNOYQHDGKW-UHFFFAOYSA-N 0 0 296.823 3.697 20 10 CHCDRN CCc1cccc(CNc2c[nH]nc2-c2ccccc2)c1O ZINC001205291422 1133555620 /nfs/dbraw/zinc/55/56/20/1133555620.db2.gz KQPJAHSIPAZIFO-UHFFFAOYSA-N 0 0 293.370 3.957 20 10 CHCDRN CCn1nccc1Nc1ccc(Cc2ccc(N)cc2)cc1 ZINC001205317469 1133559300 /nfs/dbraw/zinc/55/93/00/1133559300.db2.gz CYYZWLFVOJYJKM-UHFFFAOYSA-N 0 0 292.386 3.820 20 10 CHCDRN CCCn1cncc1CN(C)c1ccc(OC)c(Cl)c1 ZINC001205359610 1133570272 /nfs/dbraw/zinc/57/02/72/1133570272.db2.gz CDZLBECWMMLSHG-UHFFFAOYSA-N 0 0 293.798 3.592 20 10 CHCDRN C[C@H]1CCCCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001205454050 1133579084 /nfs/dbraw/zinc/57/90/84/1133579084.db2.gz WKINAXVWXLRSJQ-JTQLQIEISA-N 0 0 271.763 3.949 20 10 CHCDRN COCc1ccc(NCc2ccc(Cl)cc2O)cc1 ZINC001205562140 1133588209 /nfs/dbraw/zinc/58/82/09/1133588209.db2.gz NAMOZGNIQCVBJT-UHFFFAOYSA-N 0 0 277.751 3.804 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC001206438331 1133703651 /nfs/dbraw/zinc/70/36/51/1133703651.db2.gz ABUQJSQQRQKPRD-HZMBPMFUSA-N 0 0 283.774 3.949 20 10 CHCDRN C[C@]12C[N@H+](Cc3ccc(F)c(F)c3[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001207691580 1133839833 /nfs/dbraw/zinc/83/98/33/1133839833.db2.gz OABZSMRIBGPOJO-YRZLHWLASA-N 0 0 293.357 3.538 20 10 CHCDRN Oc1cc(Cl)ccc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC001207744388 1133843998 /nfs/dbraw/zinc/84/39/98/1133843998.db2.gz DQFWJZPVJDXMRE-MRXNPFEDSA-N 0 0 288.778 3.682 20 10 CHCDRN c1cc2cc(Nc3ccc4c(c3)OCCN4)ccc2cn1 ZINC001209728264 1134054608 /nfs/dbraw/zinc/05/46/08/1134054608.db2.gz OYFKTKKIZMFDEJ-UHFFFAOYSA-N 0 0 277.327 3.783 20 10 CHCDRN COc1ccc(C)c(Nc2ccc3c(c2)OCCN3)c1 ZINC001209728587 1134054638 /nfs/dbraw/zinc/05/46/38/1134054638.db2.gz SEWLWZTWGJMDAC-UHFFFAOYSA-N 0 0 270.332 3.552 20 10 CHCDRN COc1c(Cl)cccc1Nc1ccc2c(c1)OCCN2 ZINC001209728588 1134056362 /nfs/dbraw/zinc/05/63/62/1134056362.db2.gz SFRCFZWXMNTUSF-UHFFFAOYSA-N 0 0 290.750 3.897 20 10 CHCDRN COc1ccc(Nc2ccc3c(c2)OCCN3)c(Cl)c1 ZINC001209766739 1134059824 /nfs/dbraw/zinc/05/98/24/1134059824.db2.gz FCADTUYJYFPBJN-UHFFFAOYSA-N 0 0 290.750 3.897 20 10 CHCDRN Fc1cc(F)c(Nc2ccc3c(c2)OCCN3)cc1F ZINC001209766183 1134061911 /nfs/dbraw/zinc/06/19/11/1134061911.db2.gz HKNINVWEZUMTAF-UHFFFAOYSA-N 0 0 280.249 3.652 20 10 CHCDRN COc1ccc(Nc2ccc3c(c2)OCCN3)cc1C ZINC001209768388 1134062272 /nfs/dbraw/zinc/06/22/72/1134062272.db2.gz ZMWUEMRWODXTJI-UHFFFAOYSA-N 0 0 270.332 3.552 20 10 CHCDRN O=C1CCCc2cccc(Nc3ccc4c(c3)OCCN4)c21 ZINC001209790305 1134064162 /nfs/dbraw/zinc/06/41/62/1134064162.db2.gz ZHRVGOBMDFZZSV-UHFFFAOYSA-N 0 0 294.354 3.754 20 10 CHCDRN COc1cc(C)c(Nc2nc(-c3ccncc3)cs2)cn1 ZINC001209869386 1134090655 /nfs/dbraw/zinc/09/06/55/1134090655.db2.gz SYLJMTZUNNYOBQ-UHFFFAOYSA-N 0 0 298.371 3.661 20 10 CHCDRN Nc1ccc(Cc2ccccc2Nc2cncc(N)c2)cc1 ZINC001210441014 1134213998 /nfs/dbraw/zinc/21/39/98/1134213998.db2.gz ADTQUVKGBDNWDV-UHFFFAOYSA-N 0 0 290.370 3.580 20 10 CHCDRN Cc1oncc1N(c1ccc(N)cc1)c1ccc(N)cc1 ZINC001210583884 1134256303 /nfs/dbraw/zinc/25/63/03/1134256303.db2.gz XWBPXPKMZSZDHA-UHFFFAOYSA-N 0 0 280.331 3.617 20 10 CHCDRN CCCC[C@H](CC)CNC(=O)N[C@@H](C)c1ccccc1O ZINC001211008828 1134347647 /nfs/dbraw/zinc/34/76/47/1134347647.db2.gz WMWOMXMGJLRLGV-KBPBESRZSA-N 0 0 292.423 3.969 20 10 CHCDRN CN(c1ccc(N)cc1)c1ccccc1N1CCCC1 ZINC001213612995 1134469408 /nfs/dbraw/zinc/46/94/08/1134469408.db2.gz PYSSZZLKUHZORY-UHFFFAOYSA-N 0 0 267.376 3.637 20 10 CHCDRN Oc1cccc(-c2nc(-c3cccc4ccoc43)no2)c1O ZINC001215145705 1134601566 /nfs/dbraw/zinc/60/15/66/1134601566.db2.gz DELLQKSRCNOVSE-UHFFFAOYSA-N 0 0 294.266 3.561 20 10 CHCDRN CC(C)c1cc(Nc2cccc(O)c2O)ccc1O ZINC001215847562 1134703007 /nfs/dbraw/zinc/70/30/07/1134703007.db2.gz XKTPMYZCZFQQTD-UHFFFAOYSA-N 0 0 259.305 3.670 20 10 CHCDRN Oc1cccc(Nc2cc(F)cc(F)c2Cl)c1O ZINC001215952468 1134729413 /nfs/dbraw/zinc/72/94/13/1134729413.db2.gz SKCXNCNSKYOVRJ-UHFFFAOYSA-N 0 0 271.650 3.773 20 10 CHCDRN CSc1ncc(Nc2cccc(O)c2O)cc1Cl ZINC001216028560 1134754020 /nfs/dbraw/zinc/75/40/20/1134754020.db2.gz GVCRNNKZZSOUPT-UHFFFAOYSA-N 0 0 282.752 3.612 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403600375 1134811947 /nfs/dbraw/zinc/81/19/47/1134811947.db2.gz RFOZXSWENBEIFG-YOGCLGLASA-N 0 0 283.824 3.562 20 10 CHCDRN CN(c1ccc(N)cc1)c1c(Cl)ccnc1Cl ZINC001216304263 1134843433 /nfs/dbraw/zinc/84/34/33/1134843433.db2.gz BHMCHAPDJPTXOX-UHFFFAOYSA-N 0 0 268.147 3.739 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccccc1O ZINC000404770716 1134949259 /nfs/dbraw/zinc/94/92/59/1134949259.db2.gz WJRWMGCCAFSYCY-MRXNPFEDSA-N 0 0 284.334 3.644 20 10 CHCDRN Nc1ccc(CC(=O)Nc2ccc(F)c3ccccc23)cc1 ZINC001219260044 1135129666 /nfs/dbraw/zinc/12/96/66/1135129666.db2.gz GRCVGXYMGLLWFJ-UHFFFAOYSA-N 0 0 294.329 3.742 20 10 CHCDRN C[C@@H](NC(=O)NC[C@H]1CCC[C@@H](C)C1)c1ccccc1O ZINC001221467937 1135174978 /nfs/dbraw/zinc/17/49/78/1135174978.db2.gz ZWZFTSVZZJCEAD-MCIONIFRSA-N 0 0 290.407 3.579 20 10 CHCDRN C[C@@H](Nc1cccc(N2CCCC2=O)c1)c1ccccc1O ZINC000192937026 533559020 /nfs/dbraw/zinc/55/90/20/533559020.db2.gz CMIKVVUFBGOTRW-CYBMUJFWSA-N 0 0 296.370 3.692 20 10 CHCDRN C[C@H](NCc1ccc(N(C)C)cc1)c1c(F)cccc1F ZINC000020146050 171031674 /nfs/dbraw/zinc/03/16/74/171031674.db2.gz AIISBDGCBCAKNW-LBPRGKRZSA-N 0 0 290.357 3.882 20 10 CHCDRN Nc1ccc(Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000034964548 171907848 /nfs/dbraw/zinc/90/78/48/171907848.db2.gz POWBCJNWNHXWLC-UHFFFAOYSA-N 0 0 268.238 3.911 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNc1ncccc1F ZINC000352526479 227030652 /nfs/dbraw/zinc/03/06/52/227030652.db2.gz NZWBPXXJHORMHH-UHFFFAOYSA-N 0 0 269.323 3.633 20 10 CHCDRN CC1(C)Oc2ccc(NCc3ccccc3O)cc2O1 ZINC000036933812 260052886 /nfs/dbraw/zinc/05/28/86/260052886.db2.gz OIWNIYOZEPZBQL-UHFFFAOYSA-N 0 0 271.316 3.512 20 10 CHCDRN CCC[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185437275 262054408 /nfs/dbraw/zinc/05/44/08/262054408.db2.gz BKTXMVWCDGHBNE-BDAKNGLRSA-N 0 0 292.206 3.511 20 10 CHCDRN C[C@H](CCCO)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185689932 262066459 /nfs/dbraw/zinc/06/64/59/262066459.db2.gz DYDWSUPINLYWGR-RKDXNWHRSA-N 0 0 292.206 3.511 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1[O-] ZINC000186129157 262081152 /nfs/dbraw/zinc/08/11/52/262081152.db2.gz UUHSBRYFKFDLMN-TZMCWYRMSA-N 0 0 293.382 3.674 20 10 CHCDRN Cc1cc(C(=O)CSc2ncc(C(C)(C)C)s2)on1 ZINC000186290394 262088127 /nfs/dbraw/zinc/08/81/27/262088127.db2.gz XWAQXEFIADAGPP-UHFFFAOYSA-N 0 0 296.417 3.712 20 10 CHCDRN C[C@H](Nc1ccc(CCO)cc1)c1cc(Cl)ccc1O ZINC000186352242 262090595 /nfs/dbraw/zinc/09/05/95/262090595.db2.gz CVWPFCZYEXKJRZ-NSHDSACASA-N 0 0 291.778 3.754 20 10 CHCDRN Cc1cc(COc2ccc3c(c2)c(C)c(C)n3C)no1 ZINC000421195508 329807269 /nfs/dbraw/zinc/80/72/69/329807269.db2.gz HVCRIKRMBICQPR-UHFFFAOYSA-N 0 0 270.332 3.671 20 10 CHCDRN Cc1ccc([C@@H](C)Nc2cccc3c2OCC3)c(O)c1 ZINC000527957669 330294791 /nfs/dbraw/zinc/29/47/91/330294791.db2.gz PTEPRLRQUKRPGH-GFCCVEGCSA-N 0 0 269.344 3.809 20 10 CHCDRN CC[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1cccc(Cl)c1[O-] ZINC000528003751 330300378 /nfs/dbraw/zinc/30/03/78/330300378.db2.gz CHQIYVBKPQGDMS-TVMMDAIPSA-N 0 0 297.826 3.898 20 10 CHCDRN Oc1ccc(F)cc1CNc1cccc(-c2cc[nH]n2)c1 ZINC000226561289 333264661 /nfs/dbraw/zinc/26/46/61/333264661.db2.gz VYOLRRMCHMWOCM-UHFFFAOYSA-N 0 0 283.306 3.534 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000226588017 333265797 /nfs/dbraw/zinc/26/57/97/333265797.db2.gz JAVWMJDDXILLSH-OAHLLOKOSA-N 0 0 259.324 3.772 20 10 CHCDRN CC(C)CC[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000236626400 519694760 /nfs/dbraw/zinc/69/47/60/519694760.db2.gz HIOPSIULHIJJCY-WBVHZDCISA-N 0 0 288.435 3.532 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2cncs2)cc1 ZINC000192037030 519780289 /nfs/dbraw/zinc/78/02/89/519780289.db2.gz BLVNLVBWWJCXEM-UHFFFAOYSA-N 0 0 262.378 3.567 20 10 CHCDRN CCCC(=O)CSc1ncc(-c2ccccc2)n1C ZINC000289521763 519861988 /nfs/dbraw/zinc/86/19/88/519861988.db2.gz BFFIPYJMJLSMKM-UHFFFAOYSA-N 0 0 274.389 3.548 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)CC(C)(F)F ZINC000282447268 520547063 /nfs/dbraw/zinc/54/70/63/520547063.db2.gz IMQOOVOZOXVRLO-UHFFFAOYSA-N 0 0 285.334 3.566 20 10 CHCDRN COCc1cccc(N[C@@H](C)c2ccccc2O)c1 ZINC000036918262 523078669 /nfs/dbraw/zinc/07/86/69/523078669.db2.gz YTRPCLPGXBPOKG-LBPRGKRZSA-N 0 0 257.333 3.712 20 10 CHCDRN COc1ccc(N(Cc2ncc(C)o2)[C@@H](C)C2CC2)cc1 ZINC000072629754 524370808 /nfs/dbraw/zinc/37/08/08/524370808.db2.gz GVEZKAXPGHGGTF-ZDUSSCGKSA-N 0 0 286.375 3.797 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccc(F)c(F)c1[O-] ZINC000287065803 525674952 /nfs/dbraw/zinc/67/49/52/525674952.db2.gz NUVQMRVHNMOUCU-KCJUWKMLSA-N 0 0 255.308 3.510 20 10 CHCDRN Cc1ccsc1C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-] ZINC000276879072 525862315 /nfs/dbraw/zinc/86/23/15/525862315.db2.gz FWKJQXNQQULYJV-SECBINFHSA-N 0 0 283.343 3.891 20 10 CHCDRN Cc1c(NCc2cccc(F)c2O)cnn1C1CCCC1 ZINC000278785133 525869435 /nfs/dbraw/zinc/86/94/35/525869435.db2.gz VZTAOPMXUBZMDI-UHFFFAOYSA-N 0 0 289.354 3.763 20 10 CHCDRN Cc1nc([C@@H](C)Sc2ncc(C(C)(C)C)s2)no1 ZINC000278676010 527036730 /nfs/dbraw/zinc/03/67/30/527036730.db2.gz YDHITSPZFKSSEL-SSDOTTSWSA-N 0 0 283.422 3.985 20 10 CHCDRN Cc1cccc(Cl)c1NC(=O)CSc1nccs1 ZINC000175973861 1118536693 /nfs/dbraw/zinc/53/66/93/1118536693.db2.gz BZOPOWNNKCINRR-UHFFFAOYSA-N 0 0 298.820 3.836 20 10 CHCDRN CC[C@H](C)C[C@@H](C)[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001594935246 982585556 /nfs/dbraw/zinc/58/55/56/982585556.db2.gz VMUOTWGGJATKIK-TUAOUCFPSA-N 0 0 279.380 3.566 20 10 CHCDRN CC[C@H](C)C[C@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001594935244 982585840 /nfs/dbraw/zinc/58/58/40/982585840.db2.gz VMUOTWGGJATKIK-SDDRHHMPSA-N 0 0 279.380 3.566 20 10 CHCDRN C[C@H](CC1CCCC1)C(=O)N(C)Cc1ccccc1O ZINC000114537643 1125497739 /nfs/dbraw/zinc/49/77/39/1125497739.db2.gz DVVCAPGEYKCYOY-CYBMUJFWSA-N 0 0 275.392 3.567 20 10 CHCDRN CC(C)CC[C@H](C)[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001591218430 992080039 /nfs/dbraw/zinc/08/00/39/992080039.db2.gz YPZXEZWLILNWJD-NWDGAFQWSA-N 0 0 279.380 3.566 20 10 CHCDRN C[C@H]1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000230409376 1120295289 /nfs/dbraw/zinc/29/52/89/1120295289.db2.gz BOQCJKHJGXNUQV-WDEREUQCSA-N 0 0 253.773 3.571 20 10 CHCDRN C[C@@H]([NH2+][C@H](CCC(=O)[O-])c1ccccc1)c1ccccc1O ZINC001593204221 994197686 /nfs/dbraw/zinc/19/76/86/994197686.db2.gz OIYONNGFUCSUPL-CZUORRHYSA-N 0 0 299.370 3.649 20 10 CHCDRN COc1cc(Nc2cccc(O)c2O)ccc1Cl ZINC001175773824 1121461408 /nfs/dbraw/zinc/46/14/08/1121461408.db2.gz UBNLPQFFSQRWAO-UHFFFAOYSA-N 0 0 265.696 3.503 20 10 CHCDRN CCC[C@H](C)NC(=O)[C@H](C)Sc1ncc(Cl)s1 ZINC000849999637 1123236325 /nfs/dbraw/zinc/23/63/25/1123236325.db2.gz VPAAQDHXIXGAAW-YUMQZZPRSA-N 0 0 292.857 3.582 20 10 CHCDRN Clc1cnc(SCc2ncc(C3CC3)o2)s1 ZINC000850000127 1123236950 /nfs/dbraw/zinc/23/69/50/1123236950.db2.gz JXVDCJYZKIWKFL-UHFFFAOYSA-N 0 0 272.782 3.954 20 10 CHCDRN CC(C)c1cc(Sc2ncc(Cl)s2)ncn1 ZINC000853964185 1123463956 /nfs/dbraw/zinc/46/39/56/1123463956.db2.gz IBLYLSUMQCVFCS-UHFFFAOYSA-N 0 0 271.798 3.861 20 10 CHCDRN CCC(F)(F)CN[C@@H](C)c1cc(Cl)ccc1O ZINC000858506805 1123658712 /nfs/dbraw/zinc/65/87/12/1123658712.db2.gz JDNASCMZJIJGLI-QMMMGPOBSA-N 0 0 263.715 3.742 20 10 CHCDRN CO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])C1 ZINC000858584938 1123665801 /nfs/dbraw/zinc/66/58/01/1123665801.db2.gz YKIGWETXJPITFR-IWSPIJDZSA-N 0 0 290.190 3.527 20 10 CHCDRN COc1cncc(CSc2ncc(C(C)(C)C)s2)n1 ZINC000863314590 1123860486 /nfs/dbraw/zinc/86/04/86/1123860486.db2.gz QIMUOPITZMFAOW-UHFFFAOYSA-N 0 0 295.433 3.532 20 10 CHCDRN CC[C@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000132247663 1125416736 /nfs/dbraw/zinc/41/67/36/1125416736.db2.gz DLBOAIRGEZSWHV-NSHDSACASA-N 0 0 298.224 3.777 20 10 CHCDRN CCCC1CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139682964 1131627676 /nfs/dbraw/zinc/62/76/76/1131627676.db2.gz CYGANHBKORBTMY-UHFFFAOYSA-N 0 0 269.335 3.683 20 10 CHCDRN C[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2[O-])CCC1(F)F ZINC001139685837 1131628834 /nfs/dbraw/zinc/62/88/34/1131628834.db2.gz YMHQZZJMSVPGAK-SECBINFHSA-N 0 0 291.288 3.538 20 10 CHCDRN Oc1cccc(Cl)c1CN1CCCC[C@H]1C(F)(F)F ZINC001140345711 1131704357 /nfs/dbraw/zinc/70/43/57/1131704357.db2.gz YIKWQETYHXGGMQ-LBPRGKRZSA-N 0 0 293.716 3.962 20 10 CHCDRN CC(C)=CCC[C@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000841298321 1132343393 /nfs/dbraw/zinc/34/33/93/1132343393.db2.gz ADLCDVXJQVJRBA-LBPRGKRZSA-N 0 0 261.369 3.525 20 10 CHCDRN C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CCC1(F)F ZINC001231909485 1132400406 /nfs/dbraw/zinc/40/04/06/1132400406.db2.gz FQFVWSOMIYHIQB-SNVBAGLBSA-N 0 0 289.753 3.913 20 10 CHCDRN C[N@@H+](Cc1cc(F)c(F)cc1[O-])CC1CCCCC1 ZINC001142526986 1132403321 /nfs/dbraw/zinc/40/33/21/1132403321.db2.gz FHVNAXBQBVUMDB-UHFFFAOYSA-N 0 0 269.335 3.683 20 10 CHCDRN Oc1ccc(Cl)cc1CN1CCCCC(F)(F)C1 ZINC001203651659 1133347945 /nfs/dbraw/zinc/34/79/45/1133347945.db2.gz SABHUWMRYVVKSK-UHFFFAOYSA-N 0 0 275.726 3.667 20 10 CHCDRN CSc1ncc(Cl)cc1Nc1cccc(O)c1O ZINC001215916050 1134718478 /nfs/dbraw/zinc/71/84/78/1134718478.db2.gz KTCUNZOWLPYEDL-UHFFFAOYSA-N 0 0 282.752 3.612 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C1CCOCC1 ZINC000841748662 1125577476 /nfs/dbraw/zinc/57/74/76/1125577476.db2.gz BBINLPMTLKMOJV-XHDPSFHLSA-N 0 0 297.826 3.901 20 10 CHCDRN CO[C@H](C[NH2+][C@H](C)c1c([O-])cccc1F)c1ccccc1 ZINC000886508833 1125681877 /nfs/dbraw/zinc/68/18/77/1125681877.db2.gz OEWPTTQFQHSQTN-MLGOLLRUSA-N 0 0 289.350 3.570 20 10 CHCDRN COc1ccc([C@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886519378 1125682722 /nfs/dbraw/zinc/68/27/22/1125682722.db2.gz UHBKCAAUWDXFQB-NWDGAFQWSA-N 0 0 289.350 3.952 20 10 CHCDRN C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1c([O-])cccc1F ZINC000886536084 1125685749 /nfs/dbraw/zinc/68/57/49/1125685749.db2.gz AFFIVOWKSVTSAX-CYBMUJFWSA-N 0 0 295.398 3.515 20 10 CHCDRN CC(C)c1csc(CN[C@H](C)c2c(O)cccc2F)n1 ZINC000886541669 1125687151 /nfs/dbraw/zinc/68/71/51/1125687151.db2.gz ZFDNGQWHMZARCS-SNVBAGLBSA-N 0 0 294.395 3.962 20 10 CHCDRN C[C@@H]([NH2+][C@@H](c1cccnc1)C1CC1)c1c([O-])cccc1F ZINC000886557258 1125689904 /nfs/dbraw/zinc/68/99/04/1125689904.db2.gz XAJDPAQIHMDLAY-PIGZYNQJSA-N 0 0 286.350 3.728 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1c([O-])cccc1F ZINC000886552234 1125690699 /nfs/dbraw/zinc/69/06/99/1125690699.db2.gz XARXQEQWAHLCII-VHSXEESVSA-N 0 0 273.298 3.760 20 10 CHCDRN C[C@H]([NH2+]C1CCC(F)(F)CC1)c1c([O-])cccc1F ZINC000886558275 1125690780 /nfs/dbraw/zinc/69/07/80/1125690780.db2.gz FTNWUGPIOLKXCX-VIFPVBQESA-N 0 0 273.298 3.760 20 10 CHCDRN COc1cc(N[C@H](C)c2c(O)cccc2F)cc(OC)c1 ZINC000886580643 1125693078 /nfs/dbraw/zinc/69/30/78/1125693078.db2.gz SDAKQHOHIUVWCI-SNVBAGLBSA-N 0 0 291.322 3.722 20 10 CHCDRN C[C@H](Nc1cccc2c1OCC2)c1c(O)cccc1F ZINC000886642097 1125702042 /nfs/dbraw/zinc/70/20/42/1125702042.db2.gz ZWUWYWRHRWTODG-JTQLQIEISA-N 0 0 273.307 3.639 20 10 CHCDRN C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CCC1)c1c([O-])cccc1F ZINC000886648125 1125702589 /nfs/dbraw/zinc/70/25/89/1125702589.db2.gz MEKYAXZOPHSDTD-DOMZBBRYSA-N 0 0 293.382 3.674 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)CO1)c1ccc(F)cc1[O-] ZINC000886731124 1125713986 /nfs/dbraw/zinc/71/39/86/1125713986.db2.gz VSJFDMYTVHZVPX-OCCSQVGLSA-N 0 0 293.382 3.531 20 10 CHCDRN CC(C)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(N)cc1 ZINC000886961695 1125727060 /nfs/dbraw/zinc/72/70/60/1125727060.db2.gz WICAESPVLXGTNL-KRWDZBQOSA-N 0 0 297.402 3.658 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H](C)CSC ZINC000282617645 1129273345 /nfs/dbraw/zinc/27/33/45/1129273345.db2.gz ZMROTTXMSPWDBQ-CYBMUJFWSA-N 0 0 295.448 3.520 20 10 CHCDRN O=C(C1=CC(=O)CS1)N1Cc2ccccc2C2(CCC2)C1 ZINC001118687715 1131234482 /nfs/dbraw/zinc/23/44/82/1131234482.db2.gz ZRYKGQUAJVIXDA-UHFFFAOYSA-N 0 0 299.395 3.531 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)c1cncs1)c1ccc(F)cc1[O-] ZINC000903309344 1130150639 /nfs/dbraw/zinc/15/06/39/1130150639.db2.gz DQRVRTBBOVQVPS-BXKDBHETSA-N 0 0 280.368 3.790 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)CCCC1CCCC1 ZINC000175504065 1126783467 /nfs/dbraw/zinc/78/34/67/1126783467.db2.gz HTOGQGDDONFFJI-UHFFFAOYSA-N 0 0 275.392 3.711 20 10 CHCDRN Cc1ccc(C)c(NC(=O)NCc2cccc(C)c2O)c1 ZINC001202773458 1126782855 /nfs/dbraw/zinc/78/28/55/1126782855.db2.gz AIIGBLVTUJYQLW-UHFFFAOYSA-N 0 0 284.359 3.639 20 10 CHCDRN COc1ccc(N(C)Cc2nc(C)c(C)s2)cc1F ZINC000177268637 1126799864 /nfs/dbraw/zinc/79/98/64/1126799864.db2.gz OJNSDVJCVIQUQQ-UHFFFAOYSA-N 0 0 280.368 3.544 20 10 CHCDRN C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1c(O)cccc1Cl ZINC000793230037 1130531256 /nfs/dbraw/zinc/53/12/56/1130531256.db2.gz CNHVMBDPJMNNCI-WPRPVWTQSA-N 0 0 293.716 3.818 20 10 CHCDRN CC(C)(C)c1ccc(C=C2SC(=S)NC2=O)s1 ZINC000178985296 1126821796 /nfs/dbraw/zinc/82/17/96/1126821796.db2.gz ABZVTPSKZYZYGC-VURMDHGXSA-N 0 0 283.443 3.534 20 10 CHCDRN Oc1cccc(Cl)c1C[N@H+](CC1CC1)C1CCC1 ZINC000793395866 1130552965 /nfs/dbraw/zinc/55/29/65/1130552965.db2.gz NGJFYMDAVCHHCR-UHFFFAOYSA-N 0 0 265.784 3.810 20 10 CHCDRN CC[C@@H](O)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185802366 1126902919 /nfs/dbraw/zinc/90/29/19/1126902919.db2.gz RZKLFMXPGDQSOK-RKDXNWHRSA-N 0 0 292.206 3.511 20 10 CHCDRN C[C@H](C[NH2+][C@H](C)c1ccc(F)c(F)c1[O-])c1nccs1 ZINC000187916461 1126916891 /nfs/dbraw/zinc/91/68/91/1126916891.db2.gz QOQXQQIJRLTWIU-RKDXNWHRSA-N 0 0 298.358 3.581 20 10 CHCDRN CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CCO1 ZINC000777441024 1126921982 /nfs/dbraw/zinc/92/19/82/1126921982.db2.gz VLENDLPIWHUSQC-KBPBESRZSA-N 0 0 297.826 3.729 20 10 CHCDRN Cc1nc(C)c(-c2ccc3ccn(C)c3c2)nc1C ZINC001240573720 1126942023 /nfs/dbraw/zinc/94/20/23/1126942023.db2.gz IVNDHBCYWSGMCW-UHFFFAOYSA-N 0 0 251.333 3.561 20 10 CHCDRN Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(N)cc1 ZINC000269140933 1127035848 /nfs/dbraw/zinc/03/58/48/1127035848.db2.gz WCXNLZODMIZWAN-UHFFFAOYSA-N 0 0 289.404 3.584 20 10 CHCDRN CC1=C(C)C[C@@](C)(C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000828326929 1127073706 /nfs/dbraw/zinc/07/37/06/1127073706.db2.gz MBFYOXCUQVBNKC-SFHVURJKSA-N 0 0 285.387 3.761 20 10 CHCDRN CC[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)c1ccccc1O ZINC000156786140 1127183497 /nfs/dbraw/zinc/18/34/97/1127183497.db2.gz OPOMBGJTTSAIEP-XIRDDKMYSA-N 0 0 291.435 3.764 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ccc(OC)cc1)c1ccc(F)cc1[O-] ZINC000285714983 1127241871 /nfs/dbraw/zinc/24/18/71/1127241871.db2.gz PSYJCYGNEXQKIO-MRXNPFEDSA-N 0 0 289.350 3.781 20 10 CHCDRN CC[C@H]([NH2+]CCCc1ccccn1)c1ccc(F)cc1[O-] ZINC000285930522 1127247100 /nfs/dbraw/zinc/24/71/00/1127247100.db2.gz CXCAFLFGVRCUSO-INIZCTEOSA-N 0 0 288.366 3.600 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cnc(C)s1)c1ccc(F)cc1[O-] ZINC000286232653 1127263246 /nfs/dbraw/zinc/26/32/46/1127263246.db2.gz SWJAUKVQADSSMA-CYBMUJFWSA-N 0 0 280.368 3.537 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@H](C)c1nccs1)c1ccc(F)cc1[O-] ZINC000286218305 1127263392 /nfs/dbraw/zinc/26/33/92/1127263392.db2.gz SFJMTPXMACTJIE-ZWNOBZJWSA-N 0 0 294.395 3.832 20 10 CHCDRN CC[C@H]([NH2+]Cc1ccc(Cl)cn1)c1ccc(F)cc1[O-] ZINC000286290606 1127264986 /nfs/dbraw/zinc/26/49/86/1127264986.db2.gz WMQOTEXNUSGKTN-AWEZNQCLSA-N 0 0 294.757 3.821 20 10 CHCDRN CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCO1 ZINC000817586309 1131174502 /nfs/dbraw/zinc/17/45/02/1131174502.db2.gz NYRBNQRRXMZZQU-WCFLWFBJSA-N 0 0 283.799 3.654 20 10 CHCDRN CC[C@H]([NH2+]CCc1ccncc1)c1cccc(Cl)c1[O-] ZINC000287258788 1127298014 /nfs/dbraw/zinc/29/80/14/1127298014.db2.gz AHHMQUHEGGIPMD-HNNXBMFYSA-N 0 0 290.794 3.724 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)c1cnn(C)c1)c1cccc(Cl)c1[O-] ZINC000287285888 1127299210 /nfs/dbraw/zinc/29/92/10/1127299210.db2.gz BSVSTOJAUBSGMD-QMTHXVAHSA-N 0 0 293.798 3.581 20 10 CHCDRN Cc1ccc([C@@H](C)N[C@H](C2CC2)C(F)(F)F)c(O)c1 ZINC000287457593 1127306606 /nfs/dbraw/zinc/30/66/06/1127306606.db2.gz VNZHQVCGUKPKIL-NOZJJQNGSA-N 0 0 273.298 3.692 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)CSC)c1cccc(Cl)c1[O-] ZINC000287819401 1127313343 /nfs/dbraw/zinc/31/33/43/1127313343.db2.gz VCKSKSJLNVWLIO-JOYOIKCWSA-N 0 0 273.829 3.838 20 10 CHCDRN CO[C@H]1Cc2ccc(N[C@H](C)c3cc(C)ccc3O)cc2C1 ZINC000760881382 1127313331 /nfs/dbraw/zinc/31/33/31/1127313331.db2.gz IEKILOCMUCHAHW-DYVFJYSZSA-N 0 0 297.398 3.987 20 10 CHCDRN CCOCCCC[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287768530 1127313681 /nfs/dbraw/zinc/31/36/81/1127313681.db2.gz RJOOYJCONFSUEZ-AWEZNQCLSA-N 0 0 285.815 3.903 20 10 CHCDRN CC[C@H]([NH2+]C[C@H](C)SC)c1cccc(Cl)c1[O-] ZINC000287801093 1127313865 /nfs/dbraw/zinc/31/38/65/1127313865.db2.gz UDEUXALYSINOLC-CABZTGNLSA-N 0 0 273.829 3.838 20 10 CHCDRN CCc1nn(C)cc1N[C@H](CC)c1cccc(Cl)c1O ZINC000287838024 1127314595 /nfs/dbraw/zinc/31/45/95/1127314595.db2.gz WACDXQBCLSOYFL-GFCCVEGCSA-N 0 0 293.798 3.905 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1ccc(F)cc1[O-] ZINC000818346064 1131209504 /nfs/dbraw/zinc/20/95/04/1131209504.db2.gz RAMOEKKCPRNBHZ-WBIUFABUSA-N 0 0 263.356 3.618 20 10 CHCDRN CCc1nnc(NCc2ccc(N(CC)CC)cc2)s1 ZINC000225936679 1127360450 /nfs/dbraw/zinc/36/04/50/1127360450.db2.gz RLYCGITZYMJPNK-UHFFFAOYSA-N 0 0 290.436 3.559 20 10 CHCDRN Oc1ccc(F)cc1CNc1ccc2c(c1)CCC2 ZINC000226585594 1127412475 /nfs/dbraw/zinc/41/24/75/1127412475.db2.gz MFSFBBBUBKFPAD-UHFFFAOYSA-N 0 0 257.308 3.632 20 10 CHCDRN Oc1ccc(F)cc1CNc1cccc2ccncc21 ZINC000226620719 1127413220 /nfs/dbraw/zinc/41/32/20/1127413220.db2.gz CDNCTOCADKQWAB-UHFFFAOYSA-N 0 0 268.291 3.692 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH+]1CCc2ccccc2CC1 ZINC000158033577 1127416309 /nfs/dbraw/zinc/41/63/09/1127416309.db2.gz JTTNTMQINWHCRE-UHFFFAOYSA-N 0 0 287.790 3.646 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H](OC)C1CC1)c1cccc(Cl)c1[O-] ZINC000293573912 1127506708 /nfs/dbraw/zinc/50/67/08/1127506708.db2.gz BNCJBZMRIROFAZ-KGLIPLIRSA-N 0 0 283.799 3.511 20 10 CHCDRN Cc1nc(Cl)ccc1NCc1ccc(N(C)C)cc1 ZINC000227937065 1127517080 /nfs/dbraw/zinc/51/70/80/1127517080.db2.gz AJNZIZXJWADQMY-UHFFFAOYSA-N 0 0 275.783 3.722 20 10 CHCDRN CC[N@H+](CCC1CC1)Cc1cccc(Br)c1[O-] ZINC000761225862 1127550022 /nfs/dbraw/zinc/55/00/22/1127550022.db2.gz JAYAFYGKXCKAOX-UHFFFAOYSA-N 0 0 298.224 3.777 20 10 CHCDRN CC(C)Oc1ccc(N(C)CC2CCC(=O)CC2)cc1 ZINC000296168932 1127664406 /nfs/dbraw/zinc/66/44/06/1127664406.db2.gz ZFTPJPSMNYYGAK-UHFFFAOYSA-N 0 0 275.392 3.669 20 10 CHCDRN CC[C@H]([NH2+]CCc1scnc1C)c1ccc(F)cc1[O-] ZINC000296335418 1127668726 /nfs/dbraw/zinc/66/87/26/1127668726.db2.gz HNIAUAIQPMVZIQ-ZDUSSCGKSA-N 0 0 294.395 3.580 20 10 CHCDRN Cc1ccc(CCCCC(=O)NCc2ccc(N)cc2)cc1 ZINC000297259127 1127692714 /nfs/dbraw/zinc/69/27/14/1127692714.db2.gz RLBGUVISPFDPLB-UHFFFAOYSA-N 0 0 296.414 3.606 20 10 CHCDRN CC[C@H](C)CN(C)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000171866864 1127733021 /nfs/dbraw/zinc/73/30/21/1127733021.db2.gz HKBCJRLIQIYEFQ-ZDUSSCGKSA-N 0 0 299.418 3.607 20 10 CHCDRN C[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000230662380 1127771940 /nfs/dbraw/zinc/77/19/40/1127771940.db2.gz YUECEISMJUNZPU-GHMZBOCLSA-N 0 0 298.224 3.681 20 10 CHCDRN CCN1C(=O)c2ccccc2N[C@H]1c1cc(C)c(C)cc1O ZINC000172854790 1127787694 /nfs/dbraw/zinc/78/76/94/1127787694.db2.gz XFVJXZWDCJIIBQ-QGZVFWFLSA-N 0 0 296.370 3.595 20 10 CHCDRN CCN1CCc2cc(O[C@H](C)CC(C)(C)OC)ccc21 ZINC001233602494 1127998587 /nfs/dbraw/zinc/99/85/87/1127998587.db2.gz VUTYLWKPTSZUTF-CYBMUJFWSA-N 0 0 277.408 3.651 20 10 CHCDRN CCC[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C(C)C ZINC000152374717 1128118677 /nfs/dbraw/zinc/11/86/77/1128118677.db2.gz VYNUYPJWPWEJQR-GXTWGEPZSA-N 0 0 293.407 3.650 20 10 CHCDRN CC(C)CCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000914439902 1128188533 /nfs/dbraw/zinc/18/85/33/1128188533.db2.gz PTSHSVYITARTKB-UHFFFAOYSA-N 0 0 288.435 3.680 20 10 CHCDRN CC(C)CN(C(=O)/C=C/c1cccnc1)c1ccccc1 ZINC000914513950 1128202841 /nfs/dbraw/zinc/20/28/41/1128202841.db2.gz LTMNPUIOCGHUHI-ZHACJKMWSA-N 0 0 280.371 3.784 20 10 CHCDRN CCN(C(=O)/C=C/c1cccnc1)c1ccccc1Cl ZINC000914516402 1128203516 /nfs/dbraw/zinc/20/35/16/1128203516.db2.gz LTKYUYOQZOSXCY-MDZDMXLPSA-N 0 0 286.762 3.801 20 10 CHCDRN C[C@@H](NC(=O)C[C@H]1C=CCCC1)c1ccc(N(C)C)cc1 ZINC000777793938 1128277524 /nfs/dbraw/zinc/27/75/24/1128277524.db2.gz RUHAZTLXHNMSLE-CABCVRRESA-N 0 0 286.419 3.676 20 10 CHCDRN Cc1cc(C(=O)NC[C@H]2C[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000915290788 1128301698 /nfs/dbraw/zinc/30/16/98/1128301698.db2.gz SBLYYCUKGKSNGG-CZUORRHYSA-N 0 0 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CHCDRN Cc1cc(C(=O)NC(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000919973314 1128655734 /nfs/dbraw/zinc/65/57/34/1128655734.db2.gz RXTQEBTVLWNYEC-UHFFFAOYSA-N 0 0 290.794 3.886 20 10 CHCDRN CCCC[C@@H](CC)CNC(=O)Nc1ccc(N)cc1 ZINC000232977977 1128713165 /nfs/dbraw/zinc/71/31/65/1128713165.db2.gz SSUYYVQWQWCJRK-GFCCVEGCSA-N 0 0 263.385 3.607 20 10 CHCDRN CCCn1c(C)cc(C(=O)CSc2nccs2)c1C ZINC000064660201 1128732213 /nfs/dbraw/zinc/73/22/13/1128732213.db2.gz XZUQENFYTTUSSD-UHFFFAOYSA-N 0 0 294.445 3.946 20 10 CHCDRN CC(C)[C@H](Sc1nccs1)C(=O)N1CCC[C@H](C)C1 ZINC000064661935 1128732195 /nfs/dbraw/zinc/73/21/95/1128732195.db2.gz VJJUIMQPVZQUIR-RYUDHWBXSA-N 0 0 298.477 3.518 20 10 CHCDRN Cc1ccc(NC(=O)[C@H](C)Sc2nccs2)cc1C ZINC000048875623 1128733375 /nfs/dbraw/zinc/73/33/75/1128733375.db2.gz CCEIDYJZENNUAB-NSHDSACASA-N 0 0 292.429 3.879 20 10 CHCDRN CCc1ccc(NC(=O)[C@H](C)Sc2nccs2)cc1 ZINC000048874209 1128733426 /nfs/dbraw/zinc/73/34/26/1128733426.db2.gz QOAMPISKUIEKIS-JTQLQIEISA-N 0 0 292.429 3.825 20 10 CHCDRN Cc1c(F)cccc1NC(=O)N(C)Cc1ccccc1O ZINC000072603635 1117775738 /nfs/dbraw/zinc/77/57/38/1117775738.db2.gz YTBIVHVUKACFAA-UHFFFAOYSA-N 0 0 288.322 3.504 20 10 CHCDRN C[C@@H]([NH2+][C@@H](CCO)C1CCCCC1)c1ccc(F)cc1[O-] ZINC000185828836 1117913770 /nfs/dbraw/zinc/91/37/70/1117913770.db2.gz OVALGMWJBABYKU-WBMJQRKESA-N 0 0 295.398 3.513 20 10 CHCDRN CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000254968920 1117926303 /nfs/dbraw/zinc/92/63/03/1117926303.db2.gz REHBVAXRLZXJCM-UHFFFAOYSA-N 0 0 254.293 3.853 20 10 CHCDRN CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000186093772 1117989980 /nfs/dbraw/zinc/98/99/80/1117989980.db2.gz ULNJLEWFMGXBAK-AHIWAGSCSA-N 0 0 295.398 3.633 20 10 CHCDRN CCCCCC[C@@H](C)NC(=O)Nc1ccc(N)cc1 ZINC000049226507 1128749229 /nfs/dbraw/zinc/74/92/29/1128749229.db2.gz QZOGZFCWAOIETO-GFCCVEGCSA-N 0 0 263.385 3.749 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(C)cc1 ZINC000471234894 1118007973 /nfs/dbraw/zinc/00/79/73/1118007973.db2.gz QOUNGVWZCQMEJK-UHFFFAOYSA-N 0 0 292.382 3.725 20 10 CHCDRN C/C(=C/C(=O)N(C)Cc1ccccc1O)c1ccc(F)cc1 ZINC000160103122 1128752519 /nfs/dbraw/zinc/75/25/19/1128752519.db2.gz VJCOXZNVGBDMOY-QBFSEMIESA-N 0 0 299.345 3.593 20 10 CHCDRN CCCCC[C@H](C)CC(=O)N(C)Cc1ccccc1O ZINC000175503571 1118063214 /nfs/dbraw/zinc/06/32/14/1118063214.db2.gz NKDYRRZNUIWCIG-AWEZNQCLSA-N 0 0 277.408 3.957 20 10 CHCDRN C[C@H]1CCC[C@H]1CC(=O)NCCCSc1nccs1 ZINC000187640643 1128755988 /nfs/dbraw/zinc/75/59/88/1128755988.db2.gz FKVVUOPSISYJTJ-RYUDHWBXSA-N 0 0 298.477 3.568 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1(CC)CCC1 ZINC000764896315 1118125372 /nfs/dbraw/zinc/12/53/72/1118125372.db2.gz XQMVSJYIVPLRQA-UHFFFAOYSA-N 0 0 288.435 3.681 20 10 CHCDRN C/C=C(/C=C/C(=O)NCc1ccc2c(c1)CCCN2C)CC ZINC000765336369 1118145345 /nfs/dbraw/zinc/14/53/45/1118145345.db2.gz JEGYZUZTVXEHED-XSABBBGOSA-N 0 0 298.430 3.598 20 10 CHCDRN CN(C)c1ccc(/C=C/C(C)(C)O)c2ccccc21 ZINC001239156780 1118146605 /nfs/dbraw/zinc/14/66/05/1118146605.db2.gz SDZIGMFHKXYBGY-VAWYXSNFSA-N 0 0 255.361 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CHCDRN CCc1ccc([C@@H](C)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001648892254 1118273161 /nfs/dbraw/zinc/27/31/61/1118273161.db2.gz SJSCSHJCXOIHAO-KGLIPLIRSA-N 0 0 297.398 3.936 20 10 CHCDRN Cc1ncsc1/C=C/C(=O)N(C)c1cccc(C)c1C ZINC000186209953 1118347278 /nfs/dbraw/zinc/34/72/78/1118347278.db2.gz CCYXMUKVXSLZII-CMDGGOBGSA-N 0 0 286.400 3.745 20 10 CHCDRN COc1cccc(NCc2cc(Cl)cc(OC)c2O)c1 ZINC000076274051 1128771851 /nfs/dbraw/zinc/77/18/51/1128771851.db2.gz ODKKSVDNXRCYFW-UHFFFAOYSA-N 0 0 293.750 3.675 20 10 CHCDRN COc1cc(Cl)cc(CNc2ccc(F)cc2)c1O ZINC000076274062 1128771862 /nfs/dbraw/zinc/77/18/62/1128771862.db2.gz XOXAVYNZJLIZCT-UHFFFAOYSA-N 0 0 281.714 3.805 20 10 CHCDRN O=C(/C=C\c1cccnc1)N1CCCSc2ccccc21 ZINC000255239884 1118407052 /nfs/dbraw/zinc/40/70/52/1118407052.db2.gz NVKARMXSURZHIJ-HJWRWDBZSA-N 0 0 296.395 3.624 20 10 CHCDRN CCCCCC[C@@H](C)C(=O)NCc1cccc(OC)c1O ZINC000175930587 1118420282 /nfs/dbraw/zinc/42/02/82/1118420282.db2.gz VKJWSFRDCVSUDP-CYBMUJFWSA-N 0 0 293.407 3.624 20 10 CHCDRN Cc1cc(C)cc(/C=C2\SC(=S)N(C3CC3)C2=O)c1 ZINC000049412007 1118427929 /nfs/dbraw/zinc/42/79/29/1118427929.db2.gz MPDVTHMBJIFSGZ-JYRVWZFOSA-N 0 0 289.425 3.667 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CC(c2ccccc2)C1 ZINC001207111499 1118471300 /nfs/dbraw/zinc/47/13/00/1118471300.db2.gz WICOGDOWRYWTEZ-UHFFFAOYSA-N 0 0 291.753 3.784 20 10 CHCDRN CC1(C[NH2+]Cc2ccc(Cl)cc2[O-])CC(F)(F)C1 ZINC001659924937 1118492709 /nfs/dbraw/zinc/49/27/09/1118492709.db2.gz ABBCRTFENLETHG-UHFFFAOYSA-N 0 0 275.726 3.571 20 10 CHCDRN Cc1ccc(C[N@@H+](C)Cc2cc(Cl)ccc2O)o1 ZINC000160856649 1118562981 /nfs/dbraw/zinc/56/29/81/1118562981.db2.gz QIFUZSTVSWLTIJ-UHFFFAOYSA-N 0 0 265.740 3.579 20 10 CHCDRN CC(C)CCNc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000022459603 1118595817 /nfs/dbraw/zinc/59/58/17/1118595817.db2.gz CSXSVYFSFBMHDP-UHFFFAOYSA-N 0 0 278.377 3.679 20 10 CHCDRN Cc1ncc(/C=C\C(=O)N2CC3(CC3)c3ccccc32)s1 ZINC000255343025 1118653971 /nfs/dbraw/zinc/65/39/71/1118653971.db2.gz SIXQPTAEHHCMAT-SREVYHEPSA-N 0 0 296.395 3.543 20 10 CHCDRN CC(C)c1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180623924 1128800932 /nfs/dbraw/zinc/80/09/32/1128800932.db2.gz LKUBKJHGYVRAFM-CSKARUKUSA-N 0 0 297.354 3.873 20 10 CHCDRN C[C@@H](NC(=O)Nc1ccc(C2CC2)cn1)c1ccccc1O ZINC000933956438 1118866325 /nfs/dbraw/zinc/86/63/25/1118866325.db2.gz NYRRZQPNTIABGS-LLVKDONJSA-N 0 0 297.358 3.547 20 10 CHCDRN CCOC(=O)[C@H](Sc1nccs1)c1ccccc1 ZINC000194355718 1119064966 /nfs/dbraw/zinc/06/49/66/1119064966.db2.gz KABDOGSUEBORJP-LLVKDONJSA-N 0 0 279.386 3.540 20 10 CHCDRN c1cn(C2CC2)c(CNc2ccccc2OCC2CC2)n1 ZINC000892284526 1119159312 /nfs/dbraw/zinc/15/93/12/1119159312.db2.gz LULHTNNWFSHUDH-UHFFFAOYSA-N 0 0 283.375 3.619 20 10 CHCDRN C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000309224302 1119160541 /nfs/dbraw/zinc/16/05/41/1119160541.db2.gz RKPZDHNMELYTBB-HQJQHLMTSA-N 0 0 260.164 3.587 20 10 CHCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC2(C1)CCCCC2 ZINC001140585072 1119163240 /nfs/dbraw/zinc/16/32/40/1119163240.db2.gz RBZTWRSVXVBWHK-UHFFFAOYSA-N 0 0 281.346 3.827 20 10 CHCDRN CC[C@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708137751 1119226289 /nfs/dbraw/zinc/22/62/89/1119226289.db2.gz DMHYYMUFRRRGTA-ZETCQYMHSA-N 0 0 292.604 3.696 20 10 CHCDRN Oc1c(F)cccc1CNc1ccc2ncsc2c1 ZINC000226620710 1119232301 /nfs/dbraw/zinc/23/23/01/1119232301.db2.gz AOQOZGDUMOPBDW-UHFFFAOYSA-N 0 0 274.320 3.753 20 10 CHCDRN CCN(C(=O)C1=CC(=O)CS1)[C@H](C)c1ccc(F)cc1 ZINC000743460120 1119291655 /nfs/dbraw/zinc/29/16/55/1119291655.db2.gz ARZLXGDDIARUAZ-SNVBAGLBSA-N 0 0 293.363 3.816 20 10 CHCDRN CS[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000224853953 1119308741 /nfs/dbraw/zinc/30/87/41/1119308741.db2.gz ADTXZUJMVZDKSO-CHWSQXEVSA-N 0 0 285.840 3.809 20 10 CHCDRN O=C(NCc1ccccc1O)c1cc(C2CC2)oc1C1CC1 ZINC000934935537 1119366393 /nfs/dbraw/zinc/36/63/93/1119366393.db2.gz JLEDBJGKIQKZJX-UHFFFAOYSA-N 0 0 297.354 3.670 20 10 CHCDRN CCC(CC)NC(=O)[C@H](C)Sc1ncc(Cl)s1 ZINC000849999573 1119596305 /nfs/dbraw/zinc/59/63/05/1119596305.db2.gz UJYHIWAQUHAEBE-ZETCQYMHSA-N 0 0 292.857 3.582 20 10 CHCDRN OCCCCCCN1CCCc2cc(OC(F)F)ccc21 ZINC000750796692 1128860123 /nfs/dbraw/zinc/86/01/23/1128860123.db2.gz YLEHGTZHCHIOOI-UHFFFAOYSA-N 0 0 299.361 3.593 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SCc1nccs1 ZINC000162235722 1119685816 /nfs/dbraw/zinc/68/58/16/1119685816.db2.gz CJSQZJSTYSUIHN-UHFFFAOYSA-N 0 0 287.413 3.836 20 10 CHCDRN CC(C)[C@H](CC(=O)NCc1ccccc1O)c1ccccc1 ZINC000728605218 1119742399 /nfs/dbraw/zinc/74/23/99/1119742399.db2.gz UOXJKNUEKXICIC-KRWDZBQOSA-N 0 0 297.398 3.838 20 10 CHCDRN CC(C)(C)C(C)(C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000310539796 1119758187 /nfs/dbraw/zinc/75/81/87/1119758187.db2.gz SGLKYVFXLXHMBX-UHFFFAOYSA-N 0 0 255.789 3.960 20 10 CHCDRN Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000708767200 1119807283 /nfs/dbraw/zinc/80/72/83/1119807283.db2.gz SGTSXNAEVPBVGR-CQSZACIVSA-N 0 0 277.383 3.934 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(F)cc1[O-] ZINC000694374464 1119891842 /nfs/dbraw/zinc/89/18/42/1119891842.db2.gz LLTNCINYXDVEDF-JUFZMCDQSA-N 0 0 263.356 3.618 20 10 CHCDRN CCOc1ccc(C#N)cc1NCc1cc(C)ccc1O ZINC000181418775 1128879320 /nfs/dbraw/zinc/87/93/20/1128879320.db2.gz SIGVQHCYRLRXPS-UHFFFAOYSA-N 0 0 282.343 3.583 20 10 CHCDRN CCOc1ccc(C#N)cc1NCc1cccc(C)c1O ZINC000181418895 1128879324 /nfs/dbraw/zinc/87/93/24/1128879324.db2.gz WGIPJHOOGDPPHN-UHFFFAOYSA-N 0 0 282.343 3.583 20 10 CHCDRN CC1(C)CCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000124852230 1120026179 /nfs/dbraw/zinc/02/61/79/1120026179.db2.gz WZOOZFLLLZIYJK-GFCCVEGCSA-N 0 0 253.773 3.714 20 10 CHCDRN Cc1ccc([C@@H](C)Nc2cnn(C(C)(C)C)c2)c(O)c1 ZINC000186357477 1120033552 /nfs/dbraw/zinc/03/35/52/1120033552.db2.gz LDCWKQAIRCRXBC-GFCCVEGCSA-N 0 0 273.380 3.825 20 10 CHCDRN Cc1ccc(C(C)(C)C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC001302532952 1120063975 /nfs/dbraw/zinc/06/39/75/1120063975.db2.gz WNEDQGGWCWSBQD-AWEZNQCLSA-N 0 0 297.398 3.856 20 10 CHCDRN CCSc1cccc(/C=C2/SC(=S)N(C)C2=O)c1 ZINC000588489425 1120088646 /nfs/dbraw/zinc/08/86/46/1120088646.db2.gz RHJUBSKTKWXSMK-DHZHZOJOSA-N 0 0 295.454 3.630 20 10 CHCDRN Oc1ccc(-c2nc3cc(F)ccc3n2C2CC2)cc1O ZINC000225654433 1120249187 /nfs/dbraw/zinc/24/91/87/1120249187.db2.gz KJHCFJQGRRLYDM-UHFFFAOYSA-N 0 0 284.290 3.589 20 10 CHCDRN C[C@H]1CCCC[C@@H]1Cc1nc(Cc2ccc(N)cc2)no1 ZINC000843159254 1120274412 /nfs/dbraw/zinc/27/44/12/1120274412.db2.gz NUZOGNSLLITSKF-GXTWGEPZSA-N 0 0 285.391 3.611 20 10 CHCDRN CCCn1cc(N[C@@H](CC)c2ccc(N(C)C)cc2)cn1 ZINC000182588767 1120323108 /nfs/dbraw/zinc/32/31/08/1120323108.db2.gz LTYUUFCFTUTFKT-KRWDZBQOSA-N 0 0 286.423 3.922 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccsc1 ZINC000282357848 1120529382 /nfs/dbraw/zinc/52/93/82/1120529382.db2.gz BCPLUMCFFZCSBW-UHFFFAOYSA-N 0 0 289.400 3.896 20 10 CHCDRN CCOC(=O)CCCCN(C)c1ccc(OC(C)C)cc1 ZINC000759916602 1120623810 /nfs/dbraw/zinc/62/38/10/1120623810.db2.gz WUMFJGVIBCGJHA-UHFFFAOYSA-N 0 0 293.407 3.643 20 10 CHCDRN Cc1ncccc1/C=C\C(=O)N1CCCCc2sccc21 ZINC001128538506 1120671115 /nfs/dbraw/zinc/67/11/15/1120671115.db2.gz NOYOBELOSKFCBH-FPLPWBNLSA-N 0 0 298.411 3.834 20 10 CHCDRN COc1ccc(N(C)CCc2csc(C)n2)cc1Cl ZINC000125268541 1120713155 /nfs/dbraw/zinc/71/31/55/1120713155.db2.gz JFWCEBIQZYUSJU-UHFFFAOYSA-N 0 0 296.823 3.792 20 10 CHCDRN Nc1cccc(NCc2cc(Cl)c3cccnc3c2O)c1 ZINC001168526318 1128935890 /nfs/dbraw/zinc/93/58/90/1128935890.db2.gz VWVWIPAMFOVGOZ-UHFFFAOYSA-N 0 0 299.761 3.788 20 10 CHCDRN CCCOc1ccc(Nc2cccc(O)c2O)cc1F ZINC001211670596 1120790857 /nfs/dbraw/zinc/79/08/57/1120790857.db2.gz XLIMTCDIHQIGDJ-UHFFFAOYSA-N 0 0 277.295 3.769 20 10 CHCDRN C[C@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000252971546 1120899356 /nfs/dbraw/zinc/89/93/56/1120899356.db2.gz YGFCBJKQKGTGGY-UMSPYCQHSA-N 0 0 298.224 3.823 20 10 CHCDRN Cc1cc(OC(C)C)ccc1NC(=O)Cc1ccc(N)cc1 ZINC000314763051 1120974776 /nfs/dbraw/zinc/97/47/76/1120974776.db2.gz VPRBZXWAHZVTIZ-UHFFFAOYSA-N 0 0 298.386 3.546 20 10 CHCDRN Cc1ccc(/C=C/C(=O)N2CC[C@@H](C)c3ccccc32)cn1 ZINC000779472413 1128954479 /nfs/dbraw/zinc/95/44/79/1128954479.db2.gz YFBZWIQFTOUSKH-ATWMFIQVSA-N 0 0 292.382 3.944 20 10 CHCDRN Oc1c(Cl)cccc1CNc1cnn(C2CCCC2)c1 ZINC000722377539 1121009932 /nfs/dbraw/zinc/00/99/32/1121009932.db2.gz VHKRGTFDGMGIDX-UHFFFAOYSA-N 0 0 291.782 3.969 20 10 CHCDRN Cc1cnc(NCc2c(C)c3ccccc3n2C)s1 ZINC000344225109 1121125133 /nfs/dbraw/zinc/12/51/33/1121125133.db2.gz WZYRYHIVINJRHO-UHFFFAOYSA-N 0 0 271.389 3.864 20 10 CHCDRN CCOc1ccc(F)c(N(C)c2ccc(N)cc2)c1F ZINC001175042315 1121155855 /nfs/dbraw/zinc/15/58/55/1121155855.db2.gz PHVMEMMJFANXHN-UHFFFAOYSA-N 0 0 278.302 3.714 20 10 CHCDRN CCc1cc(C)nc(NCc2ccc(N3CCCC3)cc2)n1 ZINC000766063692 1121164951 /nfs/dbraw/zinc/16/49/51/1121164951.db2.gz ZITQVQAOPBRUJM-UHFFFAOYSA-N 0 0 296.418 3.560 20 10 CHCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001137831860 1121179189 /nfs/dbraw/zinc/17/91/89/1121179189.db2.gz QDTABWJOSVMFMP-AWEZNQCLSA-N 0 0 271.335 3.521 20 10 CHCDRN CCOc1ccc(N(C)c2ccc(N)cc2)c(F)c1F ZINC001175152654 1121186672 /nfs/dbraw/zinc/18/66/72/1121186672.db2.gz RQPKCVRFRYJKAP-UHFFFAOYSA-N 0 0 278.302 3.714 20 10 CHCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1)c1ccc(F)cc1[O-] ZINC000062748281 1121191421 /nfs/dbraw/zinc/19/14/21/1121191421.db2.gz NUOXBIRKJZTHKY-SECBINFHSA-N 0 0 281.277 3.660 20 10 CHCDRN COc1ccc2c(c1)CN(Cc1c(O)cccc1Cl)C2 ZINC000692921419 1121191549 /nfs/dbraw/zinc/19/15/49/1121191549.db2.gz PEVVQXSCODYFGI-UHFFFAOYSA-N 0 0 289.762 3.570 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000702548623 1121204846 /nfs/dbraw/zinc/20/48/46/1121204846.db2.gz WBBUMAHDSKEPCQ-KOLCDFICSA-N 0 0 273.298 3.760 20 10 CHCDRN CN(c1ccc(N)cc1)c1ccc(Cl)c(F)c1 ZINC001175205443 1121207875 /nfs/dbraw/zinc/20/78/75/1121207875.db2.gz CJFHSBNEVZNHFH-UHFFFAOYSA-N 0 0 250.704 3.829 20 10 CHCDRN CC(=O)Nc1ccc(C)c(NCc2ccc(N(C)C)cc2)c1 ZINC000122678886 1121217797 /nfs/dbraw/zinc/21/77/97/1121217797.db2.gz DEJIQEDMYDYSSA-UHFFFAOYSA-N 0 0 297.402 3.632 20 10 CHCDRN C[C@H]1CCCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000703198930 1121238363 /nfs/dbraw/zinc/23/83/63/1121238363.db2.gz HQNYIEWKQSMZEV-NSHDSACASA-N 0 0 253.773 3.668 20 10 CHCDRN C[C@@H]1CCCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000703198928 1121238491 /nfs/dbraw/zinc/23/84/91/1121238491.db2.gz HQNYIEWKQSMZEV-LLVKDONJSA-N 0 0 253.773 3.668 20 10 CHCDRN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000703260160 1121241403 /nfs/dbraw/zinc/24/14/03/1121241403.db2.gz XMNHYPKFOAOVCZ-LLVKDONJSA-N 0 0 277.314 3.830 20 10 CHCDRN CCOc1ccc(N(Cc2cnoc2C)CC2CC2)cc1 ZINC001175372503 1121302064 /nfs/dbraw/zinc/30/20/64/1121302064.db2.gz WBDZXDSYBQJAOX-UHFFFAOYSA-N 0 0 286.375 3.798 20 10 CHCDRN Cc1nc(Br)ccc1N(C)c1ccc(N)cc1 ZINC001212565635 1121317846 /nfs/dbraw/zinc/31/78/46/1121317846.db2.gz CTDRBQMHTCLUMO-UHFFFAOYSA-N 0 0 292.180 3.503 20 10 CHCDRN Nc1ccc(N(c2cncs2)c2ccc(N)cc2)cc1 ZINC001175498289 1121346306 /nfs/dbraw/zinc/34/63/06/1121346306.db2.gz SLSTYWFMBAHPQB-UHFFFAOYSA-N 0 0 282.372 3.777 20 10 CHCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C1(C)CC1 ZINC000706955082 1121445790 /nfs/dbraw/zinc/44/57/90/1121445790.db2.gz GITZWKPAYXRJNR-QMMMGPOBSA-N 0 0 274.191 3.977 20 10 CHCDRN Nc1ccc(N(c2ccc(N)cc2)c2ccc(F)cn2)cc1 ZINC001175850430 1121481047 /nfs/dbraw/zinc/48/10/47/1121481047.db2.gz NFYDMBDAIOJVQT-UHFFFAOYSA-N 0 0 294.333 3.855 20 10 CHCDRN CCCn1cc(N[C@H](C)c2ccc(N(C)CC)cc2)cn1 ZINC000182591691 1128987171 /nfs/dbraw/zinc/98/71/71/1128987171.db2.gz OHVLKEOHXYLSIA-CQSZACIVSA-N 0 0 286.423 3.922 20 10 CHCDRN Nc1ccc(Cc2ccc(Nc3ccc(=O)[nH]c3)cc2)cc1 ZINC001176131780 1121547289 /nfs/dbraw/zinc/54/72/89/1121547289.db2.gz BFAALJLZLINTRF-UHFFFAOYSA-N 0 0 291.354 3.704 20 10 CHCDRN O=C(c1ccccc1)c1ccccc1NC1=CCOCC1 ZINC001176142517 1121548576 /nfs/dbraw/zinc/54/85/76/1121548576.db2.gz GVZLEQLWJRNPGF-UHFFFAOYSA-N 0 0 279.339 3.634 20 10 CHCDRN CCCOc1cccc(F)c1N(C)c1ccc(N)cc1 ZINC001211790195 1121590987 /nfs/dbraw/zinc/59/09/87/1121590987.db2.gz VGGMFKGTWUVXKP-UHFFFAOYSA-N 0 0 274.339 3.965 20 10 CHCDRN CCC(=O)COC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000727178452 1121706965 /nfs/dbraw/zinc/70/69/65/1121706965.db2.gz NBLQMTRGSKQDTB-UHFFFAOYSA-N 0 0 299.370 3.538 20 10 CHCDRN CC[C@H](C)CN(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773610405 1121709185 /nfs/dbraw/zinc/70/91/85/1121709185.db2.gz IMDJQYMLKCWWNW-UONOGXRCSA-N 0 0 291.439 3.501 20 10 CHCDRN CCCN(CCC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773610614 1121714172 /nfs/dbraw/zinc/71/41/72/1121714172.db2.gz FCXKPVCMROAMII-CQSZACIVSA-N 0 0 291.439 3.645 20 10 CHCDRN COc1ccc(C)nc1NCc1cc(Cl)cc(F)c1O ZINC001178104447 1121764983 /nfs/dbraw/zinc/76/49/83/1121764983.db2.gz SBQHCFNJTPQUCX-UHFFFAOYSA-N 0 0 296.729 3.509 20 10 CHCDRN CSc1ccncc1NCc1ccc(N(C)C)c(F)c1 ZINC001178263505 1121778841 /nfs/dbraw/zinc/77/88/41/1121778841.db2.gz GTRCRBLZLIMPKE-UHFFFAOYSA-N 0 0 291.395 3.621 20 10 CHCDRN Cc1cc(C(=O)NC2CCC2)c(C)n1-c1cccc(C)c1 ZINC000730554545 1121813223 /nfs/dbraw/zinc/81/32/23/1121813223.db2.gz FIURNNMCECQPTK-UHFFFAOYSA-N 0 0 282.387 3.685 20 10 CHCDRN CN(C)c1ccc(/C=C\CNC2(C(F)F)CCCC2)cc1 ZINC001178841147 1121823156 /nfs/dbraw/zinc/82/31/56/1121823156.db2.gz ZMUHFEWFOWLWAR-WAYWQWQTSA-N 0 0 294.389 3.933 20 10 CHCDRN CC[C@](C)([NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC001179183484 1121853313 /nfs/dbraw/zinc/85/33/13/1121853313.db2.gz KSKJPSFMAALMRU-AWEZNQCLSA-N 0 0 271.763 3.853 20 10 CHCDRN COc1ccc2c(c1)CCCN2Cc1noc2c1CCCC2 ZINC000731210436 1121854843 /nfs/dbraw/zinc/85/48/43/1121854843.db2.gz NEGGCCMZQDXMEU-UHFFFAOYSA-N 0 0 298.386 3.515 20 10 CHCDRN CC(C)C[C@H](NC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000731867886 1121889557 /nfs/dbraw/zinc/88/95/57/1121889557.db2.gz AIHUCBBRAFJHKF-AWEZNQCLSA-N 0 0 289.400 3.971 20 10 CHCDRN CN(Cc1cccc2ccccc21)C(=O)C1=CC(=O)CS1 ZINC000731871542 1121893208 /nfs/dbraw/zinc/89/32/08/1121893208.db2.gz ICSWAPBNCWJPQA-UHFFFAOYSA-N 0 0 297.379 3.879 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C/C=C\c1cccc(F)c1 ZINC001179771441 1121906442 /nfs/dbraw/zinc/90/64/42/1121906442.db2.gz FHMYJKQMULRYKM-HYXAFXHYSA-N 0 0 291.753 3.988 20 10 CHCDRN Cc1ccc([C@@H](NC(=O)C2=CC(=O)CS2)C2CC2)cc1 ZINC000732264067 1121913714 /nfs/dbraw/zinc/91/37/14/1121913714.db2.gz NEMPOPNGGATRDL-OAHLLOKOSA-N 0 0 287.384 3.643 20 10 CHCDRN CC(C)(CCNC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000732277160 1121914265 /nfs/dbraw/zinc/91/42/65/1121914265.db2.gz BRHVPFXPYQOOFD-UHFFFAOYSA-N 0 0 289.400 3.551 20 10 CHCDRN O=C(Nc1ccnc(-c2ccccc2)c1)C1=CC(=O)CS1 ZINC000732300466 1121916183 /nfs/dbraw/zinc/91/61/83/1121916183.db2.gz MIERAZKCPRFLDA-UHFFFAOYSA-N 0 0 296.351 3.768 20 10 CHCDRN Cc1cc(C)cc([C@@H](C)NC(=O)C2=CC(=O)CS2)c1 ZINC000732290531 1121916798 /nfs/dbraw/zinc/91/67/98/1121916798.db2.gz YGOJIFAXCWKEES-LLVKDONJSA-N 0 0 275.373 3.562 20 10 CHCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)C(C)C)cc1 ZINC000733093777 1121964454 /nfs/dbraw/zinc/96/44/54/1121964454.db2.gz UALUMHILTXHXRV-OAHLLOKOSA-N 0 0 290.451 3.783 20 10 CHCDRN Oc1cc(Cl)ccc1C[NH2+]C/C=C/c1ccccc1 ZINC001180332190 1121981334 /nfs/dbraw/zinc/98/13/34/1121981334.db2.gz OMJIFTJYOHGSDN-QPJJXVBHSA-N 0 0 273.763 3.849 20 10 CHCDRN [O-]c1cc(F)c(F)cc1C[N@H+](Cc1cccs1)C1CC1 ZINC001180558330 1121999239 /nfs/dbraw/zinc/99/92/39/1121999239.db2.gz LVBDORBBHLNYFM-UHFFFAOYSA-N 0 0 295.354 3.897 20 10 CHCDRN COc1cc(N(C)CC2(C(C)C)CC2)cc(OC)c1OC ZINC001180758905 1122012286 /nfs/dbraw/zinc/01/22/86/1122012286.db2.gz NCBLZSPAKZCEFR-UHFFFAOYSA-N 0 0 293.407 3.585 20 10 CHCDRN Cc1cc(C)c(CNC(=O)[C@H]2CC23CCCCC3)c(O)c1 ZINC001181911265 1122096164 /nfs/dbraw/zinc/09/61/64/1122096164.db2.gz MNEAJZVESHGEKM-OAHLLOKOSA-N 0 0 287.403 3.596 20 10 CHCDRN Cc1ccc(CNc2ccc(C3CCC3)cn2)c(O)c1 ZINC001182116002 1122110754 /nfs/dbraw/zinc/11/07/54/1122110754.db2.gz YUDHHCAWHYLJFG-UHFFFAOYSA-N 0 0 268.360 3.975 20 10 CHCDRN C[C@H](NCc1cocn1)c1cc(Cl)c(Cl)cc1O ZINC000774294635 1122150961 /nfs/dbraw/zinc/15/09/61/1122150961.db2.gz XEEDKBVJIORDHA-ZETCQYMHSA-N 0 0 287.146 3.538 20 10 CHCDRN COc1ccc([C@H](C)[N@H+](C)Cc2cccc(F)c2[O-])cc1 ZINC000272239081 1122196022 /nfs/dbraw/zinc/19/60/22/1122196022.db2.gz GENWMSYOCRPPKR-LBPRGKRZSA-N 0 0 289.350 3.733 20 10 CHCDRN CCC[C@H](CC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001269587145 1122299274 /nfs/dbraw/zinc/29/92/74/1122299274.db2.gz CRKOUDGHBSEZRG-KBPBESRZSA-N 0 0 276.424 3.756 20 10 CHCDRN CC[C@H](Nc1cc(C)ccn1)c1ccc(F)cc1O ZINC000796856721 1122301819 /nfs/dbraw/zinc/30/18/19/1122301819.db2.gz SUVLUDOMSLDBMI-ZDUSSCGKSA-N 0 0 260.312 3.798 20 10 CHCDRN Cc1c(NCc2c(O)cccc2Cl)cnn1CC(C)C ZINC000774823500 1122318767 /nfs/dbraw/zinc/31/87/67/1122318767.db2.gz MYNVECBJLSQXOZ-UHFFFAOYSA-N 0 0 293.798 3.819 20 10 CHCDRN CC(C)C[C@@H](C)OC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001186086868 1122374392 /nfs/dbraw/zinc/37/43/92/1122374392.db2.gz HZLMXTMCOYKSKX-GFCCVEGCSA-N 0 0 296.386 3.553 20 10 CHCDRN Cc1cc(CNc2cc(C)ncn2)c(C)n1-c1ccccc1 ZINC001187282486 1122424700 /nfs/dbraw/zinc/42/47/00/1122424700.db2.gz YBRPSUHIKLBOGO-UHFFFAOYSA-N 0 0 292.386 3.805 20 10 CHCDRN CCc1ccccc1NC(=O)N1CCc2cccc(O)c2C1 ZINC001187629659 1122434361 /nfs/dbraw/zinc/43/43/61/1122434361.db2.gz REIGVVUARIPDGP-UHFFFAOYSA-N 0 0 296.370 3.545 20 10 CHCDRN Cc1ccc(NC(=O)Nc2nc3ccccc3n2C)cc1F ZINC001187956398 1122448080 /nfs/dbraw/zinc/44/80/80/1122448080.db2.gz BHFKKUYMZVMGSN-UHFFFAOYSA-N 0 0 298.321 3.665 20 10 CHCDRN Cc1c(F)cccc1NC(=O)N[C@H](C)c1ccccc1O ZINC001189070906 1122488398 /nfs/dbraw/zinc/48/83/98/1122488398.db2.gz LIPJXOOUXXRGCB-LLVKDONJSA-N 0 0 288.322 3.722 20 10 CHCDRN CCOc1ccc(N(CC)C[C@@H]2C[C@@H]3CCC[C@@H]3O2)cc1 ZINC001192013380 1122626683 /nfs/dbraw/zinc/62/66/83/1122626683.db2.gz MUAQPJNYVNCPBS-WBAXXEDZSA-N 0 0 289.419 3.869 20 10 CHCDRN CN(Cc1ccccc1CF)c1ccc2c(c1)OCO2 ZINC001192285079 1122637439 /nfs/dbraw/zinc/63/74/39/1122637439.db2.gz YMUCYLZKRSUKBG-UHFFFAOYSA-N 0 0 273.307 3.521 20 10 CHCDRN Cc1cc(NC(=O)N[C@@H](C)c2ccccc2O)ccc1F ZINC001192407724 1122645697 /nfs/dbraw/zinc/64/56/97/1122645697.db2.gz RKANDGTUDQZIIK-NSHDSACASA-N 0 0 288.322 3.722 20 10 CHCDRN CC(C)(C)CC(C)(C)NC(=O)c1ccc(O)c(O)c1Cl ZINC001193236915 1122682135 /nfs/dbraw/zinc/68/21/35/1122682135.db2.gz 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/nfs/dbraw/zinc/75/14/72/1122751472.db2.gz KPQOMOBZUZBOFK-HNNXBMFYSA-N 0 0 291.391 3.769 20 10 CHCDRN CCCCCCOC(=O)N(CC)Cc1ccccc1O ZINC001194174707 1122753935 /nfs/dbraw/zinc/75/39/35/1122753935.db2.gz IRFZCYVSLQQWBE-UHFFFAOYSA-N 0 0 279.380 3.931 20 10 CHCDRN CC(C)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000775652826 1122867839 /nfs/dbraw/zinc/86/78/39/1122867839.db2.gz VRMIRNDULKUMKI-CYBMUJFWSA-N 0 0 271.763 3.805 20 10 CHCDRN COc1ccc(N(C)Cc2ccc(C)cc2C)cc1 ZINC001195819171 1122892659 /nfs/dbraw/zinc/89/26/59/1122892659.db2.gz SYOYLLTWBDVSIC-UHFFFAOYSA-N 0 0 255.361 3.948 20 10 CHCDRN CCOc1cc(NCc2cc(OC)ccc2O)ccc1C ZINC000775757197 1122944401 /nfs/dbraw/zinc/94/44/01/1122944401.db2.gz WWMWYORMXNXJBK-UHFFFAOYSA-N 0 0 287.359 3.720 20 10 CHCDRN CN(c1ccc(N)cc1)C1=CC[C@@H](C(F)(F)F)CC1 ZINC001197426364 1122957114 /nfs/dbraw/zinc/95/71/14/1122957114.db2.gz QRGTWGDTLVZFGM-SNVBAGLBSA-N 0 0 270.298 3.951 20 10 CHCDRN Cc1ccc(NC(=S)N[C@H](C)c2ccccc2O)cc1 ZINC001197945207 1122975800 /nfs/dbraw/zinc/97/58/00/1122975800.db2.gz UVQOQJHYLXHJDT-GFCCVEGCSA-N 0 0 286.400 3.748 20 10 CHCDRN Cc1ccc(NC(=S)Nc2cccc(O)c2O)c(C)c1 ZINC001197987350 1122978841 /nfs/dbraw/zinc/97/88/41/1122978841.db2.gz VISNTSXUKLQALF-UHFFFAOYSA-N 0 0 288.372 3.524 20 10 CHCDRN CC(C)c1ccsc1C(=O)N(C)Cc1ccccc1O ZINC000048918673 1122995581 /nfs/dbraw/zinc/99/55/81/1122995581.db2.gz ZTNHQOQXNTXKFR-UHFFFAOYSA-N 0 0 289.400 3.849 20 10 CHCDRN Cc1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1F ZINC000268336315 1129094435 /nfs/dbraw/zinc/09/44/35/1129094435.db2.gz DONIHURWKOVHKE-UHFFFAOYSA-N 0 0 298.361 3.987 20 10 CHCDRN Cc1cccc(CNc2cccc3cc[nH]c32)c1O ZINC000775993144 1123033698 /nfs/dbraw/zinc/03/36/98/1123033698.db2.gz CCNIRMLBQPGDJA-UHFFFAOYSA-N 0 0 252.317 3.794 20 10 CHCDRN C[C@@H](NC(=S)NC1CCCCCC1)c1ccccc1O ZINC001199972906 1123049948 /nfs/dbraw/zinc/04/99/48/1123049948.db2.gz IEDKMDOGPCIXFL-GFCCVEGCSA-N 0 0 292.448 3.640 20 10 CHCDRN C[C@@H]1Cc2cc(CNc3ccc4c(c3)ncn4C)ccc2O1 ZINC001201115120 1123073570 /nfs/dbraw/zinc/07/35/70/1123073570.db2.gz XUUBHVCRXLCURT-GFCCVEGCSA-N 0 0 293.370 3.509 20 10 CHCDRN COc1cccc(O)c1Nc1ccc(NC(C)C)cc1 ZINC001201498977 1123111186 /nfs/dbraw/zinc/11/11/86/1123111186.db2.gz JDJCASTYBYVMPG-UHFFFAOYSA-N 0 0 272.348 3.965 20 10 CHCDRN COc1ccc(N)c(Nc2ccc(NC(C)C)cc2)c1 ZINC001201497219 1123111511 /nfs/dbraw/zinc/11/15/11/1123111511.db2.gz FJICYHIIWJKOLP-UHFFFAOYSA-N 0 0 271.364 3.841 20 10 CHCDRN CC(C)Nc1ccc(Nc2cccc(F)c2CO)cc1 ZINC001201500219 1123112306 /nfs/dbraw/zinc/11/23/06/1123112306.db2.gz VOFDCMGPAYFVDI-UHFFFAOYSA-N 0 0 274.339 3.882 20 10 CHCDRN Cc1cc(C)c(Cl)c(N(CCO)c2ccc(N)cc2)c1 ZINC001201597733 1123123082 /nfs/dbraw/zinc/12/30/82/1123123082.db2.gz NQHIAZYXBYMNIB-UHFFFAOYSA-N 0 0 290.794 3.669 20 10 CHCDRN C[C@H](Cc1cccc(F)c1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776207255 1123146146 /nfs/dbraw/zinc/14/61/46/1123146146.db2.gz FQZZLQYFDPCEAM-LLVKDONJSA-N 0 0 293.769 3.906 20 10 CHCDRN Cc1ccncc1[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776254309 1123180380 /nfs/dbraw/zinc/18/03/80/1123180380.db2.gz BDSJSWVNHVCWAT-LLVKDONJSA-N 0 0 276.767 3.600 20 10 CHCDRN Cc1cccc(CNC(=O)Nc2cccc(Cl)c2)c1O ZINC001202254029 1123190063 /nfs/dbraw/zinc/19/00/63/1123190063.db2.gz YKRMVMDPNSRBIR-UHFFFAOYSA-N 0 0 290.750 3.676 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)CC(C)(C)O)c1cccc(Cl)c1[O-] ZINC000295843653 1123230103 /nfs/dbraw/zinc/23/01/03/1123230103.db2.gz AQVPBMAXRNKLPQ-ZWNOBZJWSA-N 0 0 285.815 3.636 20 10 CHCDRN CCC[C@@H](CC)NC(=O)N(CCC)Cc1ccccc1O ZINC000108929698 1123233511 /nfs/dbraw/zinc/23/35/11/1123233511.db2.gz ASAWXRVEFXYHFG-OAHLLOKOSA-N 0 0 292.423 3.893 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)[C@H](C)CC ZINC000108929361 1123234086 /nfs/dbraw/zinc/23/40/86/1123234086.db2.gz AVBZCUJUPFXXJH-KGLIPLIRSA-N 0 0 292.423 3.748 20 10 CHCDRN Clc1cnc(SCc2ccc3c(c2)OCCO3)s1 ZINC000849999401 1123236082 /nfs/dbraw/zinc/23/60/82/1123236082.db2.gz QRDYFMXQUNQUOZ-UHFFFAOYSA-N 0 0 299.804 3.860 20 10 CHCDRN Clc1cnc(SCCc2cncs2)s1 ZINC000850002314 1123236755 /nfs/dbraw/zinc/23/67/55/1123236755.db2.gz ZXUWESSJFQQJGD-UHFFFAOYSA-N 0 0 262.812 3.588 20 10 CHCDRN Cc1nnc([C@@H](C)Sc2ncc(Cl)s2)s1 ZINC000850000447 1123237104 /nfs/dbraw/zinc/23/71/04/1123237104.db2.gz VMSNLRAVEOGVHP-SCSAIBSYSA-N 0 0 277.827 3.810 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[NH2+]CC2=CCCC2)c1 ZINC000850395988 1123263117 /nfs/dbraw/zinc/26/31/17/1123263117.db2.gz NDCCQBSUBBZVEO-UHFFFAOYSA-N 0 0 296.208 3.663 20 10 CHCDRN CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000850493189 1123275222 /nfs/dbraw/zinc/27/52/22/1123275222.db2.gz HVHPDYZCTCFACA-GXFFZTMASA-N 0 0 299.361 3.526 20 10 CHCDRN C[C@@H]([NH2+]CCC(C)(C)F)c1ccc(Cl)cc1[O-] ZINC000850532800 1123286354 /nfs/dbraw/zinc/28/63/54/1123286354.db2.gz XAXMMSZDKVNKGK-SECBINFHSA-N 0 0 259.752 3.834 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](CC)C1CC1)c1ccc(F)cc1[O-] ZINC000850540436 1123287985 /nfs/dbraw/zinc/28/79/85/1123287985.db2.gz MTKJVTAEJNIDLQ-UONOGXRCSA-N 0 0 251.345 3.761 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccc(F)cc1[O-] ZINC000850551825 1123289899 /nfs/dbraw/zinc/28/98/99/1123289899.db2.gz KAZYLZHCDKPRDC-YPMHNXCESA-N 0 0 287.325 3.863 20 10 CHCDRN CC(C)CCc1ccc(NC(=O)C2=CC(=O)CS2)nc1 ZINC000839790091 1123345858 /nfs/dbraw/zinc/34/58/58/1123345858.db2.gz MRQIPFXPTAGCHJ-UHFFFAOYSA-N 0 0 290.388 3.690 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ccnn1CC)c1cccc(Cl)c1[O-] ZINC000853241745 1123429393 /nfs/dbraw/zinc/42/93/93/1123429393.db2.gz XMJSSARYMXRYKW-CQSZACIVSA-N 0 0 293.798 3.503 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCc2cc(N)ccc21)c1ccccc1O ZINC000854226053 1123478196 /nfs/dbraw/zinc/47/81/96/1123478196.db2.gz MNPGJUPOYZBAPG-DLBZAZTESA-N 0 0 282.387 3.703 20 10 CHCDRN O=C(C1=CC(=O)CS1)N1CCCC2(CCCC2)CC1 ZINC000855363876 1123516267 /nfs/dbraw/zinc/51/62/67/1123516267.db2.gz GIGAAXFIEQNDEQ-UHFFFAOYSA-N 0 0 279.405 3.640 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000856059998 1123546064 /nfs/dbraw/zinc/54/60/64/1123546064.db2.gz WNXFIQLXJQAMJQ-IAGOWNOFSA-N 0 0 294.398 3.576 20 10 CHCDRN CC(C)c1nccc(NCCCSc2nccs2)n1 ZINC000114450352 1123564102 /nfs/dbraw/zinc/56/41/02/1123564102.db2.gz HQAWAMZYZWLIPD-UHFFFAOYSA-N 0 0 294.449 3.651 20 10 CHCDRN Cc1cc(Cl)cc([C@@H](C)N[C@@H](C)C(F)F)c1O ZINC000883400952 1123574128 /nfs/dbraw/zinc/57/41/28/1123574128.db2.gz YRTYYSWECSNBCY-SFYZADRCSA-N 0 0 263.715 3.658 20 10 CHCDRN CC[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc(F)cc1[O-] ZINC000857080437 1123584852 /nfs/dbraw/zinc/58/48/52/1123584852.db2.gz GLVCHKFYXDEPJE-SKDRFNHKSA-N 0 0 273.298 3.617 20 10 CHCDRN Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000896796859 1123627518 /nfs/dbraw/zinc/62/75/18/1123627518.db2.gz DNVOEBYITXKPOF-SNVBAGLBSA-N 0 0 295.304 3.969 20 10 CHCDRN COc1cccc(NCc2cc(C)ccc2O)c1C ZINC000858240109 1123639442 /nfs/dbraw/zinc/63/94/42/1123639442.db2.gz BEEAQXXFPRABMK-UHFFFAOYSA-N 0 0 257.333 3.630 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cccc(Cl)c1[O-] ZINC000858547689 1123661614 /nfs/dbraw/zinc/66/16/14/1123661614.db2.gz NNJYJJRUVLJMPC-CQDKDKBSSA-N 0 0 295.810 3.654 20 10 CHCDRN CO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])C1 ZINC000858584468 1123665617 /nfs/dbraw/zinc/66/56/17/1123665617.db2.gz RCKPMNIQDNMTAU-CIUDSAMLSA-N 0 0 290.190 3.527 20 10 CHCDRN Cc1cocc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000858835215 1123673995 /nfs/dbraw/zinc/67/39/95/1123673995.db2.gz DBCUUGAZCQMANU-UHFFFAOYSA-N 0 0 298.386 3.508 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)Nc2c(C)cc(C)cc2C)c1 ZINC000860222871 1123726297 /nfs/dbraw/zinc/72/62/97/1123726297.db2.gz FMKJWQIGLMAINM-UHFFFAOYSA-N 0 0 298.386 3.948 20 10 CHCDRN CS[C@H]1CCC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000117393903 1123728571 /nfs/dbraw/zinc/72/85/71/1123728571.db2.gz SJEOAYYTUSVBKT-MNOVXSKESA-N 0 0 285.840 3.809 20 10 CHCDRN C[C@H](NC(=O)[C@H]1CCCC12CC2)c1ccc(N(C)C)cc1 ZINC000860950886 1123760254 /nfs/dbraw/zinc/76/02/54/1123760254.db2.gz TYTDWPVUMLHJAN-XJKSGUPXSA-N 0 0 286.419 3.510 20 10 CHCDRN CC1(C(=O)NCc2ccc3cccnc3c2O)CCCCC1 ZINC000862026718 1123789096 /nfs/dbraw/zinc/78/90/96/1123789096.db2.gz YKBZGKKECPKEGA-UHFFFAOYSA-N 0 0 298.386 3.527 20 10 CHCDRN Cc1cc(C(=O)Nc2ccsc2)c(C)n1-c1ccccn1 ZINC000118678018 1123789114 /nfs/dbraw/zinc/78/91/14/1123789114.db2.gz PVHPBLZTOQXTOO-UHFFFAOYSA-N 0 0 297.383 3.803 20 10 CHCDRN CC[N@H+](Cc1c(O)cccc1Br)C1CCC1 ZINC000862248476 1123794028 /nfs/dbraw/zinc/79/40/28/1123794028.db2.gz YXVWNTJSFIXSDP-UHFFFAOYSA-N 0 0 284.197 3.529 20 10 CHCDRN COC[C@H](Sc1nccs1)c1ccccc1 ZINC000897002420 1123797203 /nfs/dbraw/zinc/79/72/03/1123797203.db2.gz AMHZIIBZKFADAA-NSHDSACASA-N 0 0 251.376 3.623 20 10 CHCDRN O=[N+]([O-])c1cnc(SCc2cccc(Cl)c2)s1 ZINC000195510916 1129146426 /nfs/dbraw/zinc/14/64/26/1129146426.db2.gz KDNVCJMLIZRDFT-UHFFFAOYSA-N 0 0 286.765 3.997 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000862466268 1123812892 /nfs/dbraw/zinc/81/28/92/1123812892.db2.gz FPLNFGOAFKMCKI-UHFFFAOYSA-N 0 0 293.716 3.806 20 10 CHCDRN CC(C)Cn1cc(N[C@@H](C)c2ccc(N(C)C)cc2)cn1 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CCC1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCC1 ZINC001205897626 1133627777 /nfs/dbraw/zinc/62/77/77/1133627777.db2.gz LZBIAQBJOLTWOZ-UHFFFAOYSA-N 0 0 271.763 3.997 20 10 CHCDRN CCC1(CC)C[NH+](Cc2cccc(Cl)c2[O-])C1 ZINC001206174733 1133667400 /nfs/dbraw/zinc/66/74/00/1133667400.db2.gz RMTURXHPMZCMGU-UHFFFAOYSA-N 0 0 253.773 3.668 20 10 CHCDRN CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c(C)cc1O ZINC001206277162 1133681050 /nfs/dbraw/zinc/68/10/50/1133681050.db2.gz YYLAYNRHLGJYBO-GDBMZVCRSA-N 0 0 297.826 3.791 20 10 CHCDRN Nc1ccc(N(c2ccc(N)cc2)c2ccccc2N)cc1 ZINC001206362609 1133694790 /nfs/dbraw/zinc/69/47/90/1133694790.db2.gz VNVWYAXLOJHFIE-UHFFFAOYSA-N 0 0 290.370 3.903 20 10 CHCDRN [O-]c1cc(Cl)ccc1C[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC001206385891 1133697430 /nfs/dbraw/zinc/69/74/30/1133697430.db2.gz ZRAGUUZZBDCXPQ-JSGCOSHPSA-N 0 0 265.784 3.571 20 10 CHCDRN C[C@@]1(CC[NH2+]Cc2ccc(Cl)cc2[O-])C[C@]1(F)Cl ZINC001206516831 1133712858 /nfs/dbraw/zinc/71/28/58/1133712858.db2.gz GAOFKKAJXAZPOZ-CHWSQXEVSA-N 0 0 292.181 3.840 20 10 CHCDRN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC001206715735 1133735185 /nfs/dbraw/zinc/73/51/85/1133735185.db2.gz WNNXSEGZZHPXDX-LBPRGKRZSA-N 0 0 281.346 3.683 20 10 CHCDRN [O-]c1c(F)cccc1C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000166371293 1133917225 /nfs/dbraw/zinc/91/72/25/1133917225.db2.gz NKBZERYUKXVGLD-MRXNPFEDSA-N 0 0 271.335 3.868 20 10 CHCDRN CC/C=C\CC[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001208735399 1133937725 /nfs/dbraw/zinc/93/77/25/1133937725.db2.gz XQEFCBJERGSIGA-WAYWQWQTSA-N 0 0 288.435 3.564 20 10 CHCDRN Cc1cc(F)c(F)cc1Nc1ccc2c(c1)OCCN2 ZINC001209766038 1134060242 /nfs/dbraw/zinc/06/02/42/1134060242.db2.gz FKKGOADFISRQID-UHFFFAOYSA-N 0 0 276.286 3.821 20 10 CHCDRN COc1ccc(F)c(F)c1Nc1ccc2c(c1)OCCN2 ZINC001209767675 1134063366 /nfs/dbraw/zinc/06/33/66/1134063366.db2.gz PGBVQRLOBSVAIX-UHFFFAOYSA-N 0 0 292.285 3.521 20 10 CHCDRN CC(=O)c1c(F)cccc1Nc1ccc2c(c1)OCCN2 ZINC001209788187 1134064086 /nfs/dbraw/zinc/06/40/86/1134064086.db2.gz HFVUYPDZQZTRDX-UHFFFAOYSA-N 0 0 286.306 3.576 20 10 CHCDRN Fc1cnc2c(cccc2Nc2ccc3c(c2)OCCN3)c1 ZINC001209788358 1134064093 /nfs/dbraw/zinc/06/40/93/1134064093.db2.gz BNDDGUCIXCJBNG-UHFFFAOYSA-N 0 0 295.317 3.922 20 10 CHCDRN c1cc2cccc(Nc3ccc4c(c3)OCCN4)c2o1 ZINC001209788320 1134064699 /nfs/dbraw/zinc/06/46/99/1134064699.db2.gz AIYMYKLIFWIYQM-UHFFFAOYSA-N 0 0 266.300 3.981 20 10 CHCDRN O[C@@H]1CCCc2ccc(Nc3ccc4c(c3)OCCN4)cc21 ZINC001209789208 1134064860 /nfs/dbraw/zinc/06/48/60/1134064860.db2.gz WCBXRARJRMKZMV-QGZVFWFLSA-N 0 0 296.370 3.604 20 10 CHCDRN Fc1cncc2cccc(Nc3ccc4c(c3)OCCN4)c12 ZINC001209789274 1134064991 /nfs/dbraw/zinc/06/49/91/1134064991.db2.gz NKRGVQMYHJJDEB-UHFFFAOYSA-N 0 0 295.317 3.922 20 10 CHCDRN COc1c(F)ccc(Nc2cccc(O)c2O)c1Cl ZINC001209804201 1134068627 /nfs/dbraw/zinc/06/86/27/1134068627.db2.gz POKLAUFPSKTGIH-UHFFFAOYSA-N 0 0 283.686 3.643 20 10 CHCDRN CC(C)Oc1ccc(N(C)c2ccc(N)cc2)c(F)c1 ZINC001209838862 1134075625 /nfs/dbraw/zinc/07/56/25/1134075625.db2.gz LCHFPCVDEKQFFB-UHFFFAOYSA-N 0 0 274.339 3.963 20 10 CHCDRN Nc1ccc(CCc2ccc(Nc3ccnnc3)cc2)cc1 ZINC001209961958 1134110774 /nfs/dbraw/zinc/11/07/74/1134110774.db2.gz YAUXJKBAAANNRE-UHFFFAOYSA-N 0 0 290.370 3.588 20 10 CHCDRN CN(c1ccc(N)cc1)c1cccc(F)c1Cl ZINC001210545600 1134244449 /nfs/dbraw/zinc/24/44/49/1134244449.db2.gz YCWGKWNYYBUIFI-UHFFFAOYSA-N 0 0 250.704 3.829 20 10 CHCDRN Oc1cc(Nc2cccc(O)c2O)cc(C(F)(F)F)c1 ZINC001210825220 1134306323 /nfs/dbraw/zinc/30/63/23/1134306323.db2.gz CSZHIWWMZNFDIZ-UHFFFAOYSA-N 0 0 285.221 3.566 20 10 CHCDRN Nc1ccc(Nc2cc(O)cc(OC(F)(F)F)c2)cc1 ZINC001211122508 1134375768 /nfs/dbraw/zinc/37/57/68/1134375768.db2.gz LLFPGIVEMVTYTH-UHFFFAOYSA-N 0 0 284.237 3.617 20 10 CHCDRN CCOc1cc(Nc2cccc(O)c2O)ccc1C ZINC001214325918 1134528844 /nfs/dbraw/zinc/52/88/44/1134528844.db2.gz YLSGSRDHFMNGRC-UHFFFAOYSA-N 0 0 259.305 3.549 20 10 CHCDRN Cc1cc(N(C)c2ccc(N)cc2)cc(Cl)c1O ZINC001216087140 1134772683 /nfs/dbraw/zinc/77/26/83/1134772683.db2.gz MBHQDMQZZTYRAI-UHFFFAOYSA-N 0 0 262.740 3.704 20 10 CHCDRN CCN(CC)c1cc(F)cc(Nc2cccc(O)c2O)c1 ZINC001216183590 1134798433 /nfs/dbraw/zinc/79/84/33/1134798433.db2.gz UFOAACXZSLRVNW-UHFFFAOYSA-N 0 0 290.338 3.827 20 10 CHCDRN O=C(c1ccc(F)cc1)c1ccccc1NC1=CCCOC1 ZINC001216506278 1134912876 /nfs/dbraw/zinc/91/28/76/1134912876.db2.gz KCVULZLKKHEIKC-UHFFFAOYSA-N 0 0 297.329 3.773 20 10 CHCDRN Cc1ccc(OC(C)C)c(COc2ccc(N)cc2)c1 ZINC001218297359 1135081535 /nfs/dbraw/zinc/08/15/35/1135081535.db2.gz XWNQEQQTRXJKDX-UHFFFAOYSA-N 0 0 271.360 3.943 20 10 CHCDRN CC(C)c1ccc(-c2noc(-c3ccc(O)c(O)c3)n2)cc1 ZINC000318083804 1135176894 /nfs/dbraw/zinc/17/68/94/1135176894.db2.gz JVDUGRWBJYMRQL-UHFFFAOYSA-N 0 0 296.326 3.938 20 10 CHCDRN Cn1cc(-c2ccnc3c2ccn3C)c(-c2ccccc2)n1 ZINC001222549400 1135249987 /nfs/dbraw/zinc/24/99/87/1135249987.db2.gz ICHRGYYWTRYSPK-UHFFFAOYSA-N 0 0 288.354 3.641 20 10 CHCDRN C[C@@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(N)cc1 ZINC000019846294 170894736 /nfs/dbraw/zinc/89/47/36/170894736.db2.gz LEVOJXHVPPGNGE-SNVBAGLBSA-N 0 0 290.363 3.527 20 10 CHCDRN CC(C)[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000020522936 171235834 /nfs/dbraw/zinc/23/58/34/171235834.db2.gz APTRRPPUKOAISM-MRVPVSSYSA-N 0 0 262.180 3.833 20 10 CHCDRN O=C(Nc1cccc(N2CCCC2)c1)c1ccccc1F ZINC000030829826 171624541 /nfs/dbraw/zinc/62/45/41/171624541.db2.gz ALNMJSYYRAKDOZ-UHFFFAOYSA-N 0 0 284.334 3.678 20 10 CHCDRN CCOc1ccc(OCC)c(Nc2ccc(N)cc2)c1 ZINC000034964459 171907741 /nfs/dbraw/zinc/90/77/41/171907741.db2.gz BWTOLVHWRGHEME-UHFFFAOYSA-N 0 0 272.348 3.810 20 10 CHCDRN COc1ccc(NCc2ccc(N(C)C)cc2)cc1F ZINC000037290533 173095429 /nfs/dbraw/zinc/09/54/29/173095429.db2.gz YFMNVFZDUFOBKX-UHFFFAOYSA-N 0 0 274.339 3.512 20 10 CHCDRN COc1ccc(NCc2cc(C)ccc2O)cc1Cl ZINC000071403729 176155422 /nfs/dbraw/zinc/15/54/22/176155422.db2.gz GXFNHMRRFIKXEY-UHFFFAOYSA-N 0 0 277.751 3.975 20 10 CHCDRN Cc1cccc(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 ZINC000354872709 227188563 /nfs/dbraw/zinc/18/85/63/227188563.db2.gz AZFREKXLWPIOIS-UHFFFAOYSA-N 0 0 290.370 3.560 20 10 CHCDRN C[C@H]([NH2+]Cc1ccccc1F)c1ccc(N(C)C)cc1 ZINC000037211956 260074439 /nfs/dbraw/zinc/07/44/39/260074439.db2.gz YKDIFDVQSBLESE-ZDUSSCGKSA-N 0 0 272.367 3.743 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)CCCCSC ZINC000155096286 261098264 /nfs/dbraw/zinc/09/82/64/261098264.db2.gz CSOPFMUOLGNQDP-UHFFFAOYSA-N 0 0 295.448 3.664 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)C[C@H](O)c1ccccc1)c1ccccc1O ZINC000156413920 261122693 /nfs/dbraw/zinc/12/26/93/261122693.db2.gz PZTRCASRBPAFSQ-LJHODMEESA-N 0 0 299.414 3.945 20 10 CHCDRN Cc1ccccc1[C@@H](NC(=O)Cc1ccc(N)cc1)C(C)C ZINC000157607210 261149203 /nfs/dbraw/zinc/14/92/03/261149203.db2.gz KJPQXXXFSJVHTF-IBGZPJMESA-N 0 0 296.414 3.633 20 10 CHCDRN COCc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)cc1 ZINC000184942394 262035092 /nfs/dbraw/zinc/03/50/92/262035092.db2.gz NNCAQDFROOFPCJ-LBPRGKRZSA-N 0 0 289.350 3.529 20 10 CHCDRN O=C(OCSc1nccs1)OC1CCCCC1 ZINC000185532667 262058767 /nfs/dbraw/zinc/05/87/67/262058767.db2.gz ZGHUWJGZDMHRMF-UHFFFAOYSA-N 0 0 273.379 3.679 20 10 CHCDRN Cc1cnc([C@H](C)C[NH2+][C@H](C)c2ccc(F)cc2[O-])s1 ZINC000186766293 262109548 /nfs/dbraw/zinc/10/95/48/262109548.db2.gz AGBZONXJJQWLDU-MWLCHTKSSA-N 0 0 294.395 3.751 20 10 CHCDRN CCCc1nc(C)c(C[NH2+]Cc2cccc(Cl)c2[O-])o1 ZINC000292762994 263134809 /nfs/dbraw/zinc/13/48/09/263134809.db2.gz JQQLBUUEKAGPAM-UHFFFAOYSA-N 0 0 294.782 3.584 20 10 CHCDRN CCSCC[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000164730094 263691146 /nfs/dbraw/zinc/69/11/46/263691146.db2.gz NWZIGBXULDLVBF-SNVBAGLBSA-N 0 0 273.829 3.667 20 10 CHCDRN C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2cc(F)ccc2O)C1 ZINC000184569737 329260012 /nfs/dbraw/zinc/26/00/12/329260012.db2.gz GVHHDCFXEAUEEC-WBMJQRKESA-N 0 0 286.350 3.509 20 10 CHCDRN CSc1ccccc1N(C)C(=O)/C=C/c1cncs1 ZINC000493789014 329404337 /nfs/dbraw/zinc/40/43/37/329404337.db2.gz NODDESWDNPDXBX-BQYQJAHWSA-N 0 0 290.413 3.541 20 10 CHCDRN Cc1c2cc(OCc3noc(C4CC4)n3)ccc2n(C)c1C ZINC000421194020 329806739 /nfs/dbraw/zinc/80/67/39/329806739.db2.gz GBIZEZKNLHQLRW-UHFFFAOYSA-N 0 0 297.358 3.635 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)CC(C)(C)C1CC1 ZINC000509750932 332880936 /nfs/dbraw/zinc/88/09/36/332880936.db2.gz LBMZAHQCNAUNHX-UHFFFAOYSA-N 0 0 298.430 3.929 20 10 CHCDRN CC(C)(C)[C@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000236715236 333374917 /nfs/dbraw/zinc/37/49/17/333374917.db2.gz ZQIYUDZIAFECEP-GOSISDBHSA-N 0 0 296.414 3.715 20 10 CHCDRN CCCNC(=O)c1cccc(N[C@@H](C)c2ccccc2O)c1 ZINC000192716136 519905304 /nfs/dbraw/zinc/90/53/04/519905304.db2.gz HLBJLANLTLXYSE-ZDUSSCGKSA-N 0 0 298.386 3.705 20 10 CHCDRN CC(C)c1noc([C@@H](C)Sc2nccs2)n1 ZINC000072016350 519908971 /nfs/dbraw/zinc/90/89/71/519908971.db2.gz FJHFHPIGSFDABM-SSDOTTSWSA-N 0 0 255.368 3.503 20 10 CHCDRN Oc1ccc2c(c1CNc1ccnc(C3CC3)n1)CCCC2 ZINC000301480653 534455391 /nfs/dbraw/zinc/45/53/91/534455391.db2.gz YMGXGPKZNMOPDW-UHFFFAOYSA-N 0 0 295.386 3.551 20 10 CHCDRN CC1(C)CN(Cc2cc(F)ccc2O)[C@H]1c1cccnc1 ZINC000292800194 520477219 /nfs/dbraw/zinc/47/72/19/520477219.db2.gz NMOJVHGMKRCQFB-INIZCTEOSA-N 0 0 286.350 3.509 20 10 CHCDRN CCOc1ccccc1N[C@@H](C)c1cc(OC)ccc1O ZINC000019903947 521555544 /nfs/dbraw/zinc/55/55/44/521555544.db2.gz FABLTXZHMJYDOH-LBPRGKRZSA-N 0 0 287.359 3.973 20 10 CHCDRN CCOC1CC(CC[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])C1 ZINC000276662046 521645411 /nfs/dbraw/zinc/64/54/11/521645411.db2.gz QYRNLOXZGJUEKT-UNXYVOJBSA-N 0 0 299.361 3.526 20 10 CHCDRN CN(C)c1ccc(CN(C(=O)C2=CCCCC2)C2CC2)cc1 ZINC000275477910 522160511 /nfs/dbraw/zinc/16/05/11/522160511.db2.gz PBLDCOLBAMOHOZ-UHFFFAOYSA-N 0 0 298.430 3.744 20 10 CHCDRN C[N@H+](Cc1cccc(F)c1[O-])C1CCC(F)(F)CC1 ZINC000290187345 523314452 /nfs/dbraw/zinc/31/44/52/523314452.db2.gz OGOGPMYOOWNDDJ-UHFFFAOYSA-N 0 0 273.298 3.541 20 10 CHCDRN CO[C@H](CSc1nccs1)c1ccccc1 ZINC000282662259 523955389 /nfs/dbraw/zinc/95/53/89/523955389.db2.gz NVSQTYDOKAAGJU-LLVKDONJSA-N 0 0 251.376 3.623 20 10 CHCDRN Cc1cccc(CNc2ccc(F)c([C@@H](C)O)c2)c1O ZINC000289910616 524443527 /nfs/dbraw/zinc/44/35/27/524443527.db2.gz XECCGXBWSHXVNZ-LLVKDONJSA-N 0 0 275.323 3.505 20 10 CHCDRN Cc1cc(C)cc([C@@H](C)NC(=O)NCc2ccccc2O)c1 ZINC000264381859 524459498 /nfs/dbraw/zinc/45/94/98/524459498.db2.gz JQXOQJYWPYRVGX-CQSZACIVSA-N 0 0 298.386 3.569 20 10 CHCDRN COc1ccc(O)c([C@@H](C)Nc2cc(C3CC3)ccn2)c1 ZINC000290081987 524767421 /nfs/dbraw/zinc/76/74/21/524767421.db2.gz GUNHCTAZZCUFSL-LLVKDONJSA-N 0 0 284.359 3.846 20 10 CHCDRN COc1ccccc1[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062744974 524784077 /nfs/dbraw/zinc/78/40/77/524784077.db2.gz GIWGALUMECGIER-RYUDHWBXSA-N 0 0 289.350 3.952 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278803967 525677394 /nfs/dbraw/zinc/67/73/94/525677394.db2.gz RKDGKZIWFBULDG-BDAKNGLRSA-N 0 0 290.190 3.529 20 10 CHCDRN C[C@@H](Nc1ccc(N(C)C)cc1)c1cc(F)ccc1O ZINC000094617140 525707313 /nfs/dbraw/zinc/70/73/13/525707313.db2.gz REHFGFSGAVQYIE-LLVKDONJSA-N 0 0 274.339 3.770 20 10 CHCDRN CS[C@@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000128161622 525809233 /nfs/dbraw/zinc/80/92/33/525809233.db2.gz GFKXTJCEOMJGMI-ZETCQYMHSA-N 0 0 280.220 3.540 20 10 CHCDRN Cc1ccsc1C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000094875171 525858845 /nfs/dbraw/zinc/85/88/45/525858845.db2.gz FMKDOGQLEVXKDV-JTQLQIEISA-N 0 0 265.353 3.752 20 10 CHCDRN c1csc(SCc2csc(C3CC3)n2)n1 ZINC000125949119 526584206 /nfs/dbraw/zinc/58/42/06/526584206.db2.gz TXVIOENSAALQDU-UHFFFAOYSA-N 0 0 254.405 3.769 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SCC(=O)CC1CC1 ZINC000278268676 527017693 /nfs/dbraw/zinc/01/76/93/527017693.db2.gz OTXPYLLCPKYRFU-UHFFFAOYSA-N 0 0 286.400 3.548 20 10 CHCDRN C[C@@H](c1ccccc1F)[N@H+](C)Cc1ccccc1O ZINC000111235035 1125480848 /nfs/dbraw/zinc/48/08/48/1125480848.db2.gz FJQLSAFJVPGHCR-LBPRGKRZSA-N 0 0 259.324 3.724 20 10 CHCDRN C[C@@H](NC(=O)Nc1cc(F)ccc1F)c1ccccc1O ZINC001202661887 1125492363 /nfs/dbraw/zinc/49/23/63/1125492363.db2.gz XLMFHZHQDXDHSA-SECBINFHSA-N 0 0 292.285 3.553 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000694321420 1119847704 /nfs/dbraw/zinc/84/77/04/1119847704.db2.gz DDWVHHMOTHNQJJ-MDZLAQPJSA-N 0 0 265.784 3.571 20 10 CHCDRN Cc1cnc(CSc2ncc(-c3ccccc3)n2C)o1 ZINC000133885636 1125504050 /nfs/dbraw/zinc/50/40/50/1125504050.db2.gz YFKRBRJHFWXOOR-UHFFFAOYSA-N 0 0 285.372 3.676 20 10 CHCDRN CCOc1ccc(F)cc1N(C)c1ccc(N)cc1 ZINC001175083611 1121176484 /nfs/dbraw/zinc/17/64/84/1121176484.db2.gz QYZYYVSQULOPMX-UHFFFAOYSA-N 0 0 260.312 3.575 20 10 CHCDRN CC[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])CC(F)(F)F ZINC000708494648 1121468308 /nfs/dbraw/zinc/46/83/08/1121468308.db2.gz NGEBAFQRNALPKO-MRVPVSSYSA-N 0 0 297.267 3.739 20 10 CHCDRN CC(C)(C)c1cnc(SCc2cccnc2N)s1 ZINC000882139246 1125337726 /nfs/dbraw/zinc/33/77/26/1125337726.db2.gz UFHJMHJMOHTYAA-UHFFFAOYSA-N 0 0 279.434 3.710 20 10 CHCDRN Cc1ccc(C(=O)CCSc2nccs2)cc1 ZINC000130694004 1125367001 /nfs/dbraw/zinc/36/70/01/1125367001.db2.gz MOYRQVORUJEGQV-UHFFFAOYSA-N 0 0 263.387 3.817 20 10 CHCDRN C[C@@H]([NH2+]CCCOCC1CC1)c1ccc(Cl)cc1[O-] ZINC000841744231 1132387348 /nfs/dbraw/zinc/38/73/48/1132387348.db2.gz NDYHPIQNNCLVMW-LLVKDONJSA-N 0 0 283.799 3.513 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)c1ccoc1C1CC1 ZINC000282914378 1125545916 /nfs/dbraw/zinc/54/59/16/1125545916.db2.gz XMJMHVDMINOXKN-UHFFFAOYSA-N 0 0 299.370 3.915 20 10 CHCDRN CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841751087 1125583342 /nfs/dbraw/zinc/58/33/42/1125583342.db2.gz KLNGTRADEXMGOS-NHYWBVRUSA-N 0 0 299.842 3.739 20 10 CHCDRN C[C@H]([NH2+]C(C1CC1)C1CC1)c1ccc(Cl)cc1[O-] ZINC000841747860 1125580099 /nfs/dbraw/zinc/58/00/99/1125580099.db2.gz UKDJBBHUFNUPNL-VIFPVBQESA-N 0 0 265.784 3.885 20 10 CHCDRN CCOc1ccc(NCc2cccc(C)c2O)cc1F ZINC000135750065 1125596824 /nfs/dbraw/zinc/59/68/24/1125596824.db2.gz PFGLQXUKBLINLV-UHFFFAOYSA-N 0 0 275.323 3.851 20 10 CHCDRN C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccc(Cl)cc1[O-] ZINC000841755022 1125593845 /nfs/dbraw/zinc/59/38/45/1125593845.db2.gz XLNCJYKOLAKZNY-SRVKXCTJSA-N 0 0 283.799 3.511 20 10 CHCDRN CC(C)[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000135649091 1125594418 /nfs/dbraw/zinc/59/44/18/1125594418.db2.gz MBKDKCHDSNTVPA-NSHDSACASA-N 0 0 253.773 3.524 20 10 CHCDRN Cc1cc(C[NH2+][C@@H](C)c2c([O-])cccc2F)ccc1F ZINC000886495163 1125680518 /nfs/dbraw/zinc/68/05/18/1125680518.db2.gz KPHJTAJGDQTPEX-NSHDSACASA-N 0 0 277.314 3.830 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1c([O-])cccc1F ZINC000886501305 1125681432 /nfs/dbraw/zinc/68/14/32/1125681432.db2.gz FFDGNWLPNCCGPU-ZWNOBZJWSA-N 0 0 275.323 3.853 20 10 CHCDRN Cc1ccncc1[C@H](C)[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886542610 1125686446 /nfs/dbraw/zinc/68/64/46/1125686446.db2.gz CPTQVEQXTIECLU-NWDGAFQWSA-N 0 0 274.339 3.647 20 10 CHCDRN COc1cc(C)ccc1C[NH2+][C@@H](C)c1c([O-])cccc1F ZINC000886539293 1125687604 /nfs/dbraw/zinc/68/76/04/1125687604.db2.gz XNTGSGBHKVHVFA-LBPRGKRZSA-N 0 0 289.350 3.699 20 10 CHCDRN CCOCCC1(C[NH2+][C@H](C)c2c([O-])cccc2F)CCC1 ZINC000886551280 1125689986 /nfs/dbraw/zinc/68/99/86/1125689986.db2.gz FTUHDHLTRSYWAY-CYBMUJFWSA-N 0 0 295.398 3.779 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1c([O-])cccc1F)c1c(C)noc1C ZINC000886556980 1125690385 /nfs/dbraw/zinc/69/03/85/1125690385.db2.gz OFZQENJGUIMNME-RNCFNFMXSA-N 0 0 292.354 3.938 20 10 CHCDRN COc1ccc(N[C@H](C)c2c(O)cccc2F)cc1OC ZINC000886564240 1125691818 /nfs/dbraw/zinc/69/18/18/1125691818.db2.gz QPWWPESEGNGXCX-SNVBAGLBSA-N 0 0 291.322 3.722 20 10 CHCDRN C[C@@H](Nc1ccc(N(C)C)cc1)c1c(O)cccc1F ZINC000886582971 1125692642 /nfs/dbraw/zinc/69/26/42/1125692642.db2.gz TYGUOTJCZBDNKF-LLVKDONJSA-N 0 0 274.339 3.770 20 10 CHCDRN C[C@@H](C[NH2+][C@H](C)c1c([O-])cccc1F)CC(F)(F)F ZINC000886625585 1125699728 /nfs/dbraw/zinc/69/97/28/1125699728.db2.gz VHTWNCROOSKYOO-RKDXNWHRSA-N 0 0 279.277 3.770 20 10 CHCDRN C[C@@H](C[NH2+][C@@H](C)c1c([O-])cccc1F)CC(F)(F)F ZINC000886625582 1125699922 /nfs/dbraw/zinc/69/99/22/1125699922.db2.gz VHTWNCROOSKYOO-BDAKNGLRSA-N 0 0 279.277 3.770 20 10 CHCDRN COCc1csc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886637690 1125700693 /nfs/dbraw/zinc/70/06/93/1125700693.db2.gz CJDIZYUEIWTQEG-JTQLQIEISA-N 0 0 295.379 3.590 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCC2(CCCC2)O1)c1c([O-])cccc1F ZINC000886634539 1125701485 /nfs/dbraw/zinc/70/14/85/1125701485.db2.gz GRSMLNJPAWNUGN-STQMWFEESA-N 0 0 293.382 3.674 20 10 CHCDRN C[C@@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1cc(F)cc(F)c1[O-] ZINC000886717551 1125713222 /nfs/dbraw/zinc/71/32/22/1125713222.db2.gz BWCYHXRLBKNUDF-ZYHUDNBSSA-N 0 0 299.361 3.526 20 10 CHCDRN Cn1nccc1CCSc1ncc(C(C)(C)C)s1 ZINC000801657764 1129936938 /nfs/dbraw/zinc/93/69/38/1129936938.db2.gz IYQXGRCQBOPOIA-UHFFFAOYSA-N 0 0 281.450 3.509 20 10 CHCDRN COc1ccccc1[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000158065426 1126745927 /nfs/dbraw/zinc/74/59/27/1126745927.db2.gz ZHSVSIGCQDMKLC-LLVKDONJSA-N 0 0 291.778 3.905 20 10 CHCDRN CC(C(=O)NCc1ccc(N2CCCC2)cc1)=C1CCCC1 ZINC000176546222 1126792167 /nfs/dbraw/zinc/79/21/67/1126792167.db2.gz YKOBIDYFQOZOMZ-UHFFFAOYSA-N 0 0 298.430 3.794 20 10 CHCDRN Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC000179598618 1126830388 /nfs/dbraw/zinc/83/03/88/1126830388.db2.gz BBESVIBKGKNBAF-OAHLLOKOSA-N 0 0 290.794 3.721 20 10 CHCDRN Cc1cc(C)c(CC(=O)N(C)Cc2ccccc2O)c(C)c1 ZINC000180375456 1126843867 /nfs/dbraw/zinc/84/38/67/1126843867.db2.gz NRYYKUWNULNHLU-UHFFFAOYSA-N 0 0 297.398 3.519 20 10 CHCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1CC1 ZINC000181578136 1126857411 /nfs/dbraw/zinc/85/74/11/1126857411.db2.gz GEQPBKQZJJKDFQ-AWEZNQCLSA-N 0 0 295.382 3.892 20 10 CHCDRN C[C@H](Nc1ccc(O[C@@H]2CCOC2)cc1)c1ccccc1O ZINC000183660688 1126889245 /nfs/dbraw/zinc/88/92/45/1126889245.db2.gz VDXPUVUJSOKSFM-XJKSGUPXSA-N 0 0 299.370 3.733 20 10 CHCDRN Cc1nc(C)c(CNc2ccccc2NC(C)C)o1 ZINC000905108604 1126890711 /nfs/dbraw/zinc/89/07/11/1126890711.db2.gz PUPBNYSKAXRIOA-UHFFFAOYSA-N 0 0 259.353 3.724 20 10 CHCDRN CCOc1ccc(N(CC)Cc2nccs2)cc1 ZINC000269698089 1127044641 /nfs/dbraw/zinc/04/46/41/1127044641.db2.gz KQPQXLDIYANYGQ-UHFFFAOYSA-N 0 0 262.378 3.568 20 10 CHCDRN CC[C@@H]1C[N@H+](Cc2cc(C)cc(C(C)(C)C)c2O)CCO1 ZINC000912854404 1127114797 /nfs/dbraw/zinc/11/47/97/1127114797.db2.gz ZNGAEUCFVNBMAC-OAHLLOKOSA-N 0 0 291.435 3.609 20 10 CHCDRN CCCN(Cc1ccccc1O)[C@@H](C)c1nnc(C)s1 ZINC000283159095 1127124075 /nfs/dbraw/zinc/12/40/75/1127124075.db2.gz OXMPFWIMAPXFQY-NSHDSACASA-N 0 0 291.420 3.525 20 10 CHCDRN CCN(Cc1c(O)ccc(F)c1Cl)CC(F)(F)F ZINC001237130237 1131055739 /nfs/dbraw/zinc/05/57/39/1131055739.db2.gz LOPSRPFNTZKJLI-UHFFFAOYSA-N 0 0 285.668 3.569 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)C[C@H]1CCCC(C)(C)C1 ZINC000156818096 1127191446 /nfs/dbraw/zinc/19/14/46/1127191446.db2.gz HXYPMKHDKDQJDU-CQSZACIVSA-N 0 0 289.419 3.957 20 10 CHCDRN Cc1cc(O)c(CNc2ccc(F)c([C@H](C)O)c2)cc1C ZINC000285548912 1127236820 /nfs/dbraw/zinc/23/68/20/1127236820.db2.gz RJPWBNWGJDURJT-LBPRGKRZSA-N 0 0 289.350 3.814 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000285726256 1127241923 /nfs/dbraw/zinc/24/19/23/1127241923.db2.gz QJXXALWMJLBLDL-OAHLLOKOSA-N 0 0 277.314 3.911 20 10 CHCDRN CC[C@@H]([NH2+]CCCC(F)(F)F)c1ccc(F)cc1[O-] ZINC000286003660 1127253035 /nfs/dbraw/zinc/25/30/35/1127253035.db2.gz IVALOATVRGELEH-LLVKDONJSA-N 0 0 279.277 3.915 20 10 CHCDRN CC[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)C)C1)c1ccc(F)cc1[O-] ZINC000286160216 1127260826 /nfs/dbraw/zinc/26/08/26/1127260826.db2.gz PWBHGADTXDQOIC-UKPHBRMFSA-N 0 0 295.398 3.776 20 10 CHCDRN CC[C@H]([NH2+]CCCCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000286861576 1127275199 /nfs/dbraw/zinc/27/51/99/1127275199.db2.gz BCPOQPFEXJIBHV-LBPRGKRZSA-N 0 0 292.206 3.512 20 10 CHCDRN CCOCCC[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287043436 1127284014 /nfs/dbraw/zinc/28/40/14/1127284014.db2.gz SFYWKLFOMZTNAS-ZDUSSCGKSA-N 0 0 271.788 3.513 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H]1CCCSC1)c1ccc(F)cc1[O-] ZINC000287065883 1127285555 /nfs/dbraw/zinc/28/55/55/1127285555.db2.gz NVLWJXAUCIYTPN-BXUZGUMPSA-N 0 0 283.412 3.715 20 10 CHCDRN CC[C@H]([NH2+][C@@H](COC)C1CC1)c1cccc(Cl)c1[O-] ZINC000287285802 1127299548 /nfs/dbraw/zinc/29/95/48/1127299548.db2.gz BSPMSFCFMQNRET-KBPBESRZSA-N 0 0 283.799 3.511 20 10 CHCDRN CC[C@@H]([NH2+][C@H](COC)C1CC1)c1cccc(Cl)c1[O-] ZINC000287285821 1127299670 /nfs/dbraw/zinc/29/96/70/1127299670.db2.gz BSPMSFCFMQNRET-ZIAGYGMSSA-N 0 0 283.799 3.511 20 10 CHCDRN CC[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1cccc(Cl)c1[O-] ZINC000287306119 1127300508 /nfs/dbraw/zinc/30/05/08/1127300508.db2.gz CSNFLNWAGXNLSB-BXUZGUMPSA-N 0 0 299.842 3.883 20 10 CHCDRN CC[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cccc(Cl)c1[O-] ZINC000287606900 1127311337 /nfs/dbraw/zinc/31/13/37/1127311337.db2.gz IXSURRNZJNONCG-UGFHNGPFSA-N 0 0 297.826 3.637 20 10 CHCDRN Cc1ccc([C@H](C)N[C@H](C2CC2)C(F)(F)F)c(O)c1 ZINC000287457601 1127306574 /nfs/dbraw/zinc/30/65/74/1127306574.db2.gz VNZHQVCGUKPKIL-TVQRCGJNSA-N 0 0 273.298 3.692 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)CCO)c1cc(Cl)cc(Cl)c1[O-] ZINC000287556567 1127309618 /nfs/dbraw/zinc/30/96/18/1127309618.db2.gz FYSKSXMMPKOCOS-QPUJVOFHSA-N 0 0 292.206 3.511 20 10 CHCDRN CC[C@H]([NH2+]CCCc1cccc(C)n1)c1ccccc1O ZINC000287542819 1127309800 /nfs/dbraw/zinc/30/98/00/1127309800.db2.gz PINAQCYABSLEGS-KRWDZBQOSA-N 0 0 284.403 3.769 20 10 CHCDRN CCC[C@](C)(O)C[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000287904113 1127315566 /nfs/dbraw/zinc/31/55/66/1127315566.db2.gz ZTSWCYFAWWRVDR-ZFWWWQNUSA-N 0 0 285.815 3.637 20 10 CHCDRN CO[C@@H]1Cc2ccc(N[C@H](C)c3ccc(C)cc3O)cc2C1 ZINC000760882079 1127313027 /nfs/dbraw/zinc/31/30/27/1127313027.db2.gz ISJXTJVXZSXTPB-CXAGYDPISA-N 0 0 297.398 3.987 20 10 CHCDRN Nc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC000167495500 1127363614 /nfs/dbraw/zinc/36/36/14/1127363614.db2.gz DGABBGKINZMJCI-MGPQQGTHSA-N 0 0 272.392 3.814 20 10 CHCDRN CN(C)c1c(Cl)cccc1NCc1cc(F)ccc1O ZINC000226629088 1127413976 /nfs/dbraw/zinc/41/39/76/1127413976.db2.gz YZUADKIDZTVUNH-UHFFFAOYSA-N 0 0 294.757 3.863 20 10 CHCDRN COc1ccc(NCc2cccc(Cl)c2O)c(OC)c1 ZINC000158036727 1127415867 /nfs/dbraw/zinc/41/58/67/1127415867.db2.gz GCQZNYIOVNXFSQ-UHFFFAOYSA-N 0 0 293.750 3.675 20 10 CHCDRN Oc1c(Cl)cccc1CNc1ccccc1-n1cccn1 ZINC000158050183 1127416047 /nfs/dbraw/zinc/41/60/47/1127416047.db2.gz GTPYLGHTJICATO-UHFFFAOYSA-N 0 0 299.761 3.843 20 10 CHCDRN O=C1NC(=S)S/C1=C/c1c(Cl)oc2ccccc12 ZINC000761181886 1127506928 /nfs/dbraw/zinc/50/69/28/1127506928.db2.gz SNMKJVYBKOKAGX-WEVVVXLNSA-N 0 0 295.772 3.575 20 10 CHCDRN COc1cc(N[C@@H](C)c2ccccc2O)cc(OC)c1C ZINC000294045534 1127544413 /nfs/dbraw/zinc/54/44/13/1127544413.db2.gz GIZDHCRSFNFMEE-LBPRGKRZSA-N 0 0 287.359 3.891 20 10 CHCDRN C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C[C@H]1C ZINC001231911049 1127547937 /nfs/dbraw/zinc/54/79/37/1127547937.db2.gz ZQMPTCGRBROQCL-VXGBXAGGSA-N 0 0 267.800 3.914 20 10 CHCDRN CC[N@H+](CCC1CC1)Cc1cc(Cl)cc(OC)c1O ZINC000761225292 1127549978 /nfs/dbraw/zinc/54/99/78/1127549978.db2.gz BOHOCTRWXZSEGG-UHFFFAOYSA-N 0 0 283.799 3.676 20 10 CHCDRN CN(C)c1ccc(CN(C)C(=O)CCC2CCCC2)cc1 ZINC000060678556 1127562043 /nfs/dbraw/zinc/56/20/43/1127562043.db2.gz CCIHKLKUXQGAHS-UHFFFAOYSA-N 0 0 288.435 3.681 20 10 CHCDRN C[C@@H]1CCC[C@@H]([NH2+]Cc2c([O-])cccc2F)CC1 ZINC001308947534 1127597837 /nfs/dbraw/zinc/59/78/37/1127597837.db2.gz GDGPWNYCHZXVBX-VXGBXAGGSA-N 0 0 251.345 3.590 20 10 CHCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2[O-])c2ccccc2O1 ZINC000295099826 1127620475 /nfs/dbraw/zinc/62/04/75/1127620475.db2.gz SPSSFVYTVYDXTP-IAQYHMDHSA-N 0 0 287.334 3.533 20 10 CHCDRN Cc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000060942079 1127624659 /nfs/dbraw/zinc/62/46/59/1127624659.db2.gz PTGPCQUCKJYEBL-UHFFFAOYSA-N 0 0 297.185 3.692 20 10 CHCDRN CC[C@@H]([NH2+][C@H]1CCOC1(C)C)c1cccc(Cl)c1[O-] ZINC000296648831 1127680071 /nfs/dbraw/zinc/68/00/71/1127680071.db2.gz YRSDEODZLKZQKA-OLZOCXBDSA-N 0 0 283.799 3.654 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)Nc1cccc2[nH]ccc21 ZINC000171394839 1127705125 /nfs/dbraw/zinc/70/51/25/1127705125.db2.gz JYBNKGCBQXXACU-UHFFFAOYSA-N 0 0 295.342 3.537 20 10 CHCDRN Cc1ccc2cccc(NCc3ccccc3O)c2n1 ZINC000061874867 1127723390 /nfs/dbraw/zinc/72/33/90/1127723390.db2.gz PXNYLGUHIRFNQV-UHFFFAOYSA-N 0 0 264.328 3.861 20 10 CHCDRN C[C@H](CCc1ccco1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062745135 1127772621 /nfs/dbraw/zinc/77/26/21/1127772621.db2.gz IUSQLUHBZOBLBR-NEPJUHHUSA-N 0 0 277.339 3.796 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccc(F)cc1[O-] ZINC000062747637 1127773691 /nfs/dbraw/zinc/77/36/91/1127773691.db2.gz BRBFIYNDTGJHTP-DGCLKSJQSA-N 0 0 271.335 3.522 20 10 CHCDRN Cc1cc(O)c(CN(C)Cc2cscn2)cc1C(C)C ZINC000063127384 1127798509 /nfs/dbraw/zinc/79/85/09/1127798509.db2.gz BLYJPPJVEYKISN-UHFFFAOYSA-N 0 0 290.432 3.913 20 10 CHCDRN Cc1cc(C(=O)N2CCC2)c(C)n1-c1cccc(Cl)c1 ZINC000063680063 1127858504 /nfs/dbraw/zinc/85/85/04/1127858504.db2.gz VVCMBMIAIYHJRC-UHFFFAOYSA-N 0 0 288.778 3.593 20 10 CHCDRN C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])CCC1(F)F ZINC001233074757 1127923588 /nfs/dbraw/zinc/92/35/88/1127923588.db2.gz WVFKGOKEDVVGEB-VIFPVBQESA-N 0 0 291.288 3.538 20 10 CHCDRN Cc1nc2c(o1)CCC[C@H]2NCc1ccc(N(C)C)cc1C ZINC000925080682 1128121039 /nfs/dbraw/zinc/12/10/39/1128121039.db2.gz OCXIJGFYZJEMIY-MRXNPFEDSA-N 0 0 299.418 3.525 20 10 CHCDRN CCn1c(Sc2nccs2)nnc1-c1cccs1 ZINC000914862698 1128255958 /nfs/dbraw/zinc/25/59/58/1128255958.db2.gz OBTAXIWPYHPCTC-UHFFFAOYSA-N 0 0 294.430 3.634 20 10 CHCDRN CCN(C(=O)/C=C\c1cccnc1)c1cccc(Cl)c1 ZINC000914522292 1128203112 /nfs/dbraw/zinc/20/31/12/1128203112.db2.gz RSIJBKZNSMSDEJ-HJWRWDBZSA-N 0 0 286.762 3.801 20 10 CHCDRN C[C@H]1C[C@H]1c1noc(-c2ccc(-n3cccc3)cc2)n1 ZINC000762256224 1128287497 /nfs/dbraw/zinc/28/74/97/1128287497.db2.gz UBLACLOERUABAX-SMDDNHRTSA-N 0 0 265.316 3.651 20 10 CHCDRN Fc1cc(-c2nc([C@@H]3CCCO3)no2)ccc1-n1cccc1 ZINC000762243906 1128284879 /nfs/dbraw/zinc/28/48/79/1128284879.db2.gz ULVKVNLFURXIGI-AWEZNQCLSA-N 0 0 299.305 3.518 20 10 CHCDRN Fc1cc(-c2nc([C@H]3CCCO3)no2)ccc1-n1cccc1 ZINC000762243909 1128284915 /nfs/dbraw/zinc/28/49/15/1128284915.db2.gz ULVKVNLFURXIGI-CQSZACIVSA-N 0 0 299.305 3.518 20 10 CHCDRN CCCC[C@H](CC)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000915191635 1128290449 /nfs/dbraw/zinc/29/04/49/1128290449.db2.gz LBQZPIJBVKPEQB-INIZCTEOSA-N 0 0 290.451 3.927 20 10 CHCDRN CCN(C(=O)/C=C/c1ccc(C)nc1)c1ccc(F)cc1 ZINC000777843217 1128292492 /nfs/dbraw/zinc/29/24/92/1128292492.db2.gz BGUSGCDIYUENAX-IZZDOVSWSA-N 0 0 284.334 3.595 20 10 CHCDRN COc1ccc(N(Cc2cnc(C)o2)C(C)C)cc1F ZINC000929950737 1128295081 /nfs/dbraw/zinc/29/50/81/1128295081.db2.gz KMUSLAWXMCJXMN-UHFFFAOYSA-N 0 0 278.327 3.546 20 10 CHCDRN COC/C(C)=C\CN(C)c1ccc(-c2nccs2)cc1 ZINC000930710006 1128331943 /nfs/dbraw/zinc/33/19/43/1128331943.db2.gz MAQKKWQCHAVTSK-JYRVWZFOSA-N 0 0 288.416 3.839 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cccc(Br)c1[O-])C(C)C ZINC000042586623 1128347225 /nfs/dbraw/zinc/34/72/25/1128347225.db2.gz FQMFZXQRRDVIEN-GFCCVEGCSA-N 0 0 286.213 3.679 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)C(C)(C)CC(C)(C)C ZINC000934704691 1128467884 /nfs/dbraw/zinc/46/78/84/1128467884.db2.gz FNKQKYQSDUYFCM-UHFFFAOYSA-N 0 0 277.408 3.813 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SC/C=C\Cl ZINC000918059472 1128532083 /nfs/dbraw/zinc/53/20/83/1128532083.db2.gz ZJPBRPOQIVHBOZ-YVMONPNESA-N 0 0 264.781 3.932 20 10 CHCDRN CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001202779141 1128560847 /nfs/dbraw/zinc/56/08/47/1128560847.db2.gz RSGYIFIUFQMXNI-OCCSQVGLSA-N 0 0 283.362 3.975 20 10 CHCDRN CC(=O)c1cc(F)cc(C[N@@H+](CC(C)C)C(C)C)c1[O-] ZINC000042587671 1128578552 /nfs/dbraw/zinc/57/85/52/1128578552.db2.gz PYPOEXJYMQGIQI-UHFFFAOYSA-N 0 0 281.371 3.600 20 10 CHCDRN Clc1ccccc1OCCSc1nccs1 ZINC000919676978 1128621662 /nfs/dbraw/zinc/62/16/62/1128621662.db2.gz QAGWLFPDAQDZOE-UHFFFAOYSA-N 0 0 271.794 3.968 20 10 CHCDRN CC(C)(C)c1ccccc1C(=O)NCc1ccccc1O ZINC000157752425 1128662953 /nfs/dbraw/zinc/66/29/53/1128662953.db2.gz CJGFSBLALWDHMX-UHFFFAOYSA-N 0 0 283.371 3.620 20 10 CHCDRN CCCc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000920216782 1128671863 /nfs/dbraw/zinc/67/18/63/1128671863.db2.gz SVPIUSSFAULEDK-UHFFFAOYSA-N 0 0 296.414 3.635 20 10 CHCDRN C[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000920257178 1128675058 /nfs/dbraw/zinc/67/50/58/1128675058.db2.gz ICTZFCQICHDXMW-CYBMUJFWSA-N 0 0 286.444 3.933 20 10 CHCDRN Oc1ccc(F)cc1CN1CC[C@@H]1c1cccc(F)c1 ZINC000779022843 1128685821 /nfs/dbraw/zinc/68/58/21/1128685821.db2.gz ISVKEBVMOKOIJH-OAHLLOKOSA-N 0 0 275.298 3.617 20 10 CHCDRN Oc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000779080899 1128723753 /nfs/dbraw/zinc/72/37/53/1128723753.db2.gz FINZPCFCNDPXLJ-TYNCELHUSA-N 0 0 263.356 3.590 20 10 CHCDRN O=C(NCc1ccccc1O)Nc1csc2ccccc12 ZINC000779093464 1128727884 /nfs/dbraw/zinc/72/78/84/1128727884.db2.gz VPYWYWFTOCTGLG-UHFFFAOYSA-N 0 0 298.367 3.929 20 10 CHCDRN CCOC(CSc1ncc(C(C)(C)C)s1)OCC ZINC000185086150 1117761488 /nfs/dbraw/zinc/76/14/88/1117761488.db2.gz VQDUJEQUVDTEEM-UHFFFAOYSA-N 0 0 289.466 3.932 20 10 CHCDRN CCc1ccccc1NC(=O)[C@@H](C)Sc1nccs1 ZINC000048875825 1128734721 /nfs/dbraw/zinc/73/47/21/1128734721.db2.gz DRAFCPHEODMIQA-SNVBAGLBSA-N 0 0 292.429 3.825 20 10 CHCDRN Cn1c(-c2ccccc2)cnc1SCc1cncc(F)c1 ZINC000185190794 1117780969 /nfs/dbraw/zinc/78/09/69/1117780969.db2.gz CKYAGJZOUZFEJF-UHFFFAOYSA-N 0 0 299.374 3.914 20 10 CHCDRN Oc1ccccc1CNc1cccc(-c2ncco2)c1 ZINC000160226632 1117802970 /nfs/dbraw/zinc/80/29/70/1117802970.db2.gz KTSZOKPJPFFWQN-UHFFFAOYSA-N 0 0 266.300 3.659 20 10 CHCDRN CCCC(O)(CCC)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185500717 1117830528 /nfs/dbraw/zinc/83/05/28/1117830528.db2.gz VJHCHFPVTKUKPV-LBPRGKRZSA-N 0 0 283.387 3.513 20 10 CHCDRN CN(Cc1ccc(C(F)F)cc1)c1ccc2c(c1)OCO2 ZINC000763872656 1117836074 /nfs/dbraw/zinc/83/60/74/1117836074.db2.gz PELKEFDTXRCPTB-UHFFFAOYSA-N 0 0 291.297 3.989 20 10 CHCDRN Cc1cc(O)c(CNc2ncccc2OC(F)F)cc1C ZINC000185912953 1117944078 /nfs/dbraw/zinc/94/40/78/1117944078.db2.gz AYMMIGKXVLSCBI-UHFFFAOYSA-N 0 0 294.301 3.618 20 10 CHCDRN CC(=O)c1cc(F)cc(C[N@@H+](CCC(C)C)C2CC2)c1[O-] ZINC000109277491 1117997138 /nfs/dbraw/zinc/99/71/38/1117997138.db2.gz UVJHNLASFXNXOU-UHFFFAOYSA-N 0 0 293.382 3.744 20 10 CHCDRN CC(C)c1nc(C[NH2+]Cc2cccc(Cl)c2[O-])cs1 ZINC000705562093 1118005945 /nfs/dbraw/zinc/00/59/45/1118005945.db2.gz JBDLRXAHAQPGHG-UHFFFAOYSA-N 0 0 296.823 3.915 20 10 CHCDRN CCN(CC)c1ccc(CN(C)C(=O)CCC(C)C)cc1 ZINC000728222560 1118015886 /nfs/dbraw/zinc/01/58/86/1118015886.db2.gz JLEHIHQJTUBVNY-UHFFFAOYSA-N 0 0 290.451 3.927 20 10 CHCDRN CC[C@@H](C)[C@H](C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000471242414 1118021364 /nfs/dbraw/zinc/02/13/64/1118021364.db2.gz IRHDHSOYTZKPGT-OLZOCXBDSA-N 0 0 286.419 3.785 20 10 CHCDRN Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccn(C3CCCC3)n2)c1 ZINC000186138090 1118021421 /nfs/dbraw/zinc/02/14/21/1118021421.db2.gz VPSFZLUGRNODQZ-CQSZACIVSA-N 0 0 299.418 3.863 20 10 CHCDRN CC(C)C[C@H](C)[NH2+]Cc1cccc(Br)c1[O-] ZINC000042411900 1118033339 /nfs/dbraw/zinc/03/33/39/1118033339.db2.gz GPGCTXFGTHYNRP-JTQLQIEISA-N 0 0 286.213 3.679 20 10 CHCDRN O=C(NCc1ccccc1O)Nc1cc(F)cc(Cl)c1 ZINC000764207609 1118077972 /nfs/dbraw/zinc/07/79/72/1118077972.db2.gz KKZWSVMRAQUKNO-UHFFFAOYSA-N 0 0 294.713 3.506 20 10 CHCDRN CCOc1ccc(N(CC)CCCc2ccncc2)cc1 ZINC000764973982 1118128102 /nfs/dbraw/zinc/12/81/02/1118128102.db2.gz USWFQDBVVFUGQF-UHFFFAOYSA-N 0 0 284.403 3.939 20 10 CHCDRN Clc1cnc(Sc2ncn(-c3ccccc3)n2)s1 ZINC000764999322 1118129663 /nfs/dbraw/zinc/12/96/63/1118129663.db2.gz DCOSSBWULFFLMM-UHFFFAOYSA-N 0 0 294.792 3.528 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000211600853 1118147826 /nfs/dbraw/zinc/14/78/26/1118147826.db2.gz OVEVCCWHPWSUED-NXEZZACHSA-N 0 0 286.202 3.931 20 10 CHCDRN C/C=C(/C=C\C(=O)NCc1ccc(N(C)C)cc1C)CC ZINC000765569551 1118172309 /nfs/dbraw/zinc/17/23/09/1118172309.db2.gz ZPFLQAJPZAXQSB-NPEJIYSZSA-N 0 0 286.419 3.590 20 10 CHCDRN Cc1nc(COc2ccc3c(c2)c2c(n3C)CCCC2)co1 ZINC000655683830 1118183970 /nfs/dbraw/zinc/18/39/70/1118183970.db2.gz VYEKFFLTKLXMPN-UHFFFAOYSA-N 0 0 296.370 3.933 20 10 CHCDRN CCCCC[C@@H](C)CC(=O)NCc1cc(C)ccc1O ZINC001167293531 1118184921 /nfs/dbraw/zinc/18/49/21/1118184921.db2.gz IDEGGPZHGOSJAA-CYBMUJFWSA-N 0 0 277.408 3.923 20 10 CHCDRN C[C@H](Nc1cccc2c1CCO2)c1ccc(F)cc1O ZINC000690216857 1118197561 /nfs/dbraw/zinc/19/75/61/1118197561.db2.gz QIYBCOMVMWLDOL-JTQLQIEISA-N 0 0 273.307 3.639 20 10 CHCDRN Cc1cccc(C[N@H+]2C[C@@H](C)O[C@H](c3ccccc3)C2)c1O ZINC000179854431 1128762361 /nfs/dbraw/zinc/76/23/61/1128762361.db2.gz RQYPLEIQMWUURB-QAPCUYQASA-N 0 0 297.398 3.663 20 10 CHCDRN COCCc1ccccc1NCc1cc(Cl)ccc1O ZINC000188958233 1128766067 /nfs/dbraw/zinc/76/60/67/1128766067.db2.gz JMKBAQMEZFWWPM-UHFFFAOYSA-N 0 0 291.778 3.847 20 10 CHCDRN C[C@@H](NC(=O)c1cccc2c1CCCC2)c1ccccc1O ZINC001648889649 1118271378 /nfs/dbraw/zinc/27/13/78/1118271378.db2.gz GHLFJCQUZXMJNS-CYBMUJFWSA-N 0 0 295.382 3.762 20 10 CHCDRN Cc1ccc2cc(C(=O)N[C@@H](C)c3ccccc3O)[nH]c2c1 ZINC001648892217 1118273114 /nfs/dbraw/zinc/27/31/14/1118273114.db2.gz QXNROKKIYLWKFX-LBPRGKRZSA-N 0 0 294.354 3.673 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC1CCCCC1 ZINC000471485749 1118311577 /nfs/dbraw/zinc/31/15/77/1118311577.db2.gz YRHPRJMMODFFED-UHFFFAOYSA-N 0 0 299.418 3.619 20 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CHCDRN CCc1ccc(NCc2ccc(OC)c(OC)c2O)cc1 ZINC000892258992 1119069180 /nfs/dbraw/zinc/06/91/80/1119069180.db2.gz NQJUDEHKCNDHJR-UHFFFAOYSA-N 0 0 287.359 3.584 20 10 CHCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC001140583401 1119151735 /nfs/dbraw/zinc/15/17/35/1119151735.db2.gz FFTWVXNLMWOGGW-HNNXBMFYSA-N 0 0 275.298 3.617 20 10 CHCDRN [O-]c1cc(F)cc(F)c1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001140583607 1119154631 /nfs/dbraw/zinc/15/46/31/1119154631.db2.gz NHZXPOXZMKXHQN-XHDPSFHLSA-N 0 0 281.346 3.825 20 10 CHCDRN CCc1cccc(C)c1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180961125 1128825147 /nfs/dbraw/zinc/82/51/47/1128825147.db2.gz FUWWRLHWDMSBQP-CSKARUKUSA-N 0 0 297.354 3.621 20 10 CHCDRN COc1ccc(N(C)Cc2cnc(Cl)s2)cc1F ZINC000121729634 1119268651 /nfs/dbraw/zinc/26/86/51/1119268651.db2.gz CPUTXDYTVUFKDN-UHFFFAOYSA-N 0 0 286.759 3.581 20 10 CHCDRN CC1CCC([N@H+](C)Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708399211 1119425752 /nfs/dbraw/zinc/42/57/52/1119425752.db2.gz JFPTZVVSFONRCH-UHFFFAOYSA-N 0 0 269.335 3.681 20 10 CHCDRN CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cc(Br)ccc1O ZINC000158995074 1119479146 /nfs/dbraw/zinc/47/91/46/1119479146.db2.gz SRVODLWKADLVGN-CWSCBRNRSA-N 0 0 298.224 3.851 20 10 CHCDRN CC(C)(CC[NH2+]Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000708497836 1119490581 /nfs/dbraw/zinc/49/05/81/1119490581.db2.gz VNAGESKDNRBJQP-UHFFFAOYSA-N 0 0 269.335 3.586 20 10 CHCDRN C[C@H](NC(=O)C1(Cc2ccccc2)CC1)c1ccccc1O ZINC000827972882 1119552613 /nfs/dbraw/zinc/55/26/13/1119552613.db2.gz CALLJBFMOJJJTH-AWEZNQCLSA-N 0 0 295.382 3.592 20 10 CHCDRN CC[C@@H](Nc1cc2c(cc1C)OCO2)c1ccccc1O ZINC000157926238 1119899677 /nfs/dbraw/zinc/89/96/77/1119899677.db2.gz LNPWMGSNCQOCQT-CYBMUJFWSA-N 0 0 285.343 3.993 20 10 CHCDRN C[C@@H](Nc1cccc2c1OCO2)c1ccc(N(C)C)cc1 ZINC000782776574 1119971935 /nfs/dbraw/zinc/97/19/35/1119971935.db2.gz AXCRIGWMQSTENG-GFCCVEGCSA-N 0 0 284.359 3.654 20 10 CHCDRN Cc1cccc(CNc2ccc(OC(C)C)c(C#N)c2)c1O ZINC000181529551 1128885686 /nfs/dbraw/zinc/88/56/86/1128885686.db2.gz MBSCIOGLHJKOPO-UHFFFAOYSA-N 0 0 296.370 3.972 20 10 CHCDRN Cc1snnc1-c1nc(-c2cc(Cl)ccc2C)no1 ZINC001212405040 1120067050 /nfs/dbraw/zinc/06/70/50/1120067050.db2.gz FIXKICKYAFGJGV-UHFFFAOYSA-N 0 0 292.751 3.525 20 10 CHCDRN Cc1snnc1-c1nc(-c2ccc(Cl)c(C)c2)no1 ZINC001212405361 1120067920 /nfs/dbraw/zinc/06/79/20/1120067920.db2.gz QEALFYKKFNBPCV-UHFFFAOYSA-N 0 0 292.751 3.525 20 10 CHCDRN CC(C)COc1ccccc1C[NH2+]Cc1ccccc1O ZINC000236654839 1120155602 /nfs/dbraw/zinc/15/56/02/1120155602.db2.gz SFVHSJPSAVQBAO-UHFFFAOYSA-N 0 0 285.387 3.717 20 10 CHCDRN CN(C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1)c1ccc(N)cc1 ZINC000252725806 1128897387 /nfs/dbraw/zinc/89/73/87/1128897387.db2.gz CVRMWHGIKQVOHG-QLFBSQMISA-N 0 0 286.419 3.838 20 10 CHCDRN O=C(/C=C/c1cccnc1)N1CCCc2cccc(Cl)c21 ZINC000728705781 1120198401 /nfs/dbraw/zinc/19/84/01/1120198401.db2.gz XIVVBKMKLRMZPM-CMDGGOBGSA-N 0 0 298.773 3.728 20 10 CHCDRN C[C@H]1CC[C@H](C[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000230410050 1120302407 /nfs/dbraw/zinc/30/24/07/1120302407.db2.gz SFDXONDOMLJIHL-QWRGUYRKSA-N 0 0 298.224 3.681 20 10 CHCDRN C[C@@H]([NH2+]C/C=C/c1ccccc1)c1ccc(F)cc1[O-] ZINC000185440059 1120376725 /nfs/dbraw/zinc/37/67/25/1120376725.db2.gz VGOUTUNTUFIFJH-OQHXTRMZSA-N 0 0 271.335 3.895 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCC[C@@H]1C ZINC000187682164 1120432384 /nfs/dbraw/zinc/43/23/84/1120432384.db2.gz FSWRWJPOTZQADE-GJZGRUSLSA-N 0 0 289.419 3.957 20 10 CHCDRN Fc1cccc(C[NH2+]Cc2ccc3c(c2)CCCO3)c1F ZINC000922302876 1120505479 /nfs/dbraw/zinc/50/54/79/1120505479.db2.gz RSZTYLAMGDAMKN-UHFFFAOYSA-N 0 0 289.325 3.580 20 10 CHCDRN COc1ccc(N[C@@H](C)c2ccc(C)cc2O)cc1OC ZINC000020088387 1120582047 /nfs/dbraw/zinc/58/20/47/1120582047.db2.gz JJCYHJNDINWZFQ-LBPRGKRZSA-N 0 0 287.359 3.891 20 10 CHCDRN C[C@@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCS1 ZINC000922836367 1120607434 /nfs/dbraw/zinc/60/74/34/1120607434.db2.gz JFPBDWLJZQFEIA-RKDXNWHRSA-N 0 0 289.803 3.558 20 10 CHCDRN CO[C@]1(C)C[C@@H]([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])C1(C)C ZINC000756625357 1120623788 /nfs/dbraw/zinc/62/37/88/1120623788.db2.gz JWNNGRJIAQASAN-HDIHMHJESA-N 0 0 299.361 3.525 20 10 CHCDRN C/C(=C/c1ccc(F)cc1)C(=O)N(C)Cc1ccccc1O ZINC000299735833 1120643090 /nfs/dbraw/zinc/64/30/90/1120643090.db2.gz JMGJUJCQHSBVJY-QBFSEMIESA-N 0 0 299.345 3.593 20 10 CHCDRN CC[C@H](Nc1ccc2c(c1)OCO2)c1ccc(F)cc1O ZINC000796856237 1120676821 /nfs/dbraw/zinc/67/68/21/1120676821.db2.gz RQEHGZSEWJXLDH-ZDUSSCGKSA-N 0 0 289.306 3.823 20 10 CHCDRN C[C@H]([NH2+]CCC[C@@H]1CCCC[C@@H]1O)c1ccc(F)cc1[O-] ZINC000756760765 1120808100 /nfs/dbraw/zinc/80/81/00/1120808100.db2.gz QMBQMNLLTPWXDC-XEZPLFJOSA-N 0 0 295.398 3.513 20 10 CHCDRN C[C@H](C[NH2+][C@H](C)c1ccc2ccccc2c1O)N(C)C1CC1 ZINC000185368910 1120911019 /nfs/dbraw/zinc/91/10/19/1120911019.db2.gz BVLZCAOZTDLOGE-ZIAGYGMSSA-N 0 0 298.430 3.679 20 10 CHCDRN Cc1ccc(C)c(N(C)C(=O)/C=C/c2ccc(C)nc2)c1 ZINC000779471718 1128954827 /nfs/dbraw/zinc/95/48/27/1128954827.db2.gz LJFJKMSZOBNBFB-MDZDMXLPSA-N 0 0 280.371 3.683 20 10 CHCDRN Cc1ccc(/C=C/C(=O)N2CC[C@H](C)c3ccccc32)cn1 ZINC000779472416 1128955070 /nfs/dbraw/zinc/95/50/70/1128955070.db2.gz YFBZWIQFTOUSKH-HBWSCVEGSA-N 0 0 292.382 3.944 20 10 CHCDRN CC(C)(C)c1ccccc1C(=O)NCCc1ccc(N)cc1 ZINC000317134679 1120996323 /nfs/dbraw/zinc/99/63/23/1120996323.db2.gz DQWFEVADISRUQZ-UHFFFAOYSA-N 0 0 296.414 3.539 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC001167835302 1121035264 /nfs/dbraw/zinc/03/52/64/1121035264.db2.gz NKOQTGGQONAGGO-UHFFFAOYSA-N 0 0 284.403 3.788 20 10 CHCDRN C[C@H]1c2ccccc2CC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139685706 1121073122 /nfs/dbraw/zinc/07/31/22/1121073122.db2.gz UBMZOLGSXROMGX-NSHDSACASA-N 0 0 289.325 3.790 20 10 CHCDRN CCCCN(CCCC)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779496858 1128960801 /nfs/dbraw/zinc/96/08/01/1128960801.db2.gz MDZVVHQWZWVHBO-CSKARUKUSA-N 0 0 291.391 3.540 20 10 CHCDRN CCCCCC[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779494268 1128960868 /nfs/dbraw/zinc/96/08/68/1128960868.db2.gz VTPNVMAPMUBYNP-FUWURINLSA-N 0 0 291.391 3.586 20 10 CHCDRN COc1cc(Cl)cc(CNc2ccc(Cl)cn2)c1O ZINC000191935207 1128962339 /nfs/dbraw/zinc/96/23/39/1128962339.db2.gz PTJCVJDEPIXTKO-UHFFFAOYSA-N 0 0 299.157 3.715 20 10 CHCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](C)C2)cc1 ZINC000261379304 1121118857 /nfs/dbraw/zinc/11/88/57/1121118857.db2.gz BLTMTKOUHFWLGZ-ZDUSSCGKSA-N 0 0 282.387 3.576 20 10 CHCDRN CCc1cc(CN(C)CC(F)F)c(O)c(C(C)(C)C)c1 ZINC000728901497 1121162888 /nfs/dbraw/zinc/16/28/88/1121162888.db2.gz OQWGFDYTVLYXHA-UHFFFAOYSA-N 0 0 285.378 3.949 20 10 CHCDRN Cc1ncccc1CN(C)c1ccc(OC(C)C)cc1 ZINC000192037147 1128967499 /nfs/dbraw/zinc/96/74/99/1128967499.db2.gz KGWUXRBSBNWLSZ-UHFFFAOYSA-N 0 0 270.376 3.814 20 10 CHCDRN CN(Cc1csc(C(C)(C)C)n1)c1ccc(N)cc1 ZINC000702112004 1121181490 /nfs/dbraw/zinc/18/14/90/1121181490.db2.gz VKAWTEBYTJGSRQ-UHFFFAOYSA-N 0 0 275.421 3.659 20 10 CHCDRN Cc1cccc(CC[NH2+][C@@H](C)c2cc(F)ccc2O)c1 ZINC000094618073 1121215803 /nfs/dbraw/zinc/21/58/03/1121215803.db2.gz PGGNVBJGOFWQIX-ZDUSSCGKSA-N 0 0 273.351 3.733 20 10 CHCDRN CN(C)c1ccc(CN2CCc3c2cccc3Cl)cc1 ZINC001167888296 1121234603 /nfs/dbraw/zinc/23/46/03/1121234603.db2.gz ATFNULFTNJDROG-UHFFFAOYSA-N 0 0 286.806 3.969 20 10 CHCDRN CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703416931 1121252637 /nfs/dbraw/zinc/25/26/37/1121252637.db2.gz GQVKAZFASAKKIZ-SECBINFHSA-N 0 0 257.324 3.585 20 10 CHCDRN Cc1ccc(O)c(CN(C)c2ccc(OC(C)C)cc2)n1 ZINC000763540452 1128978771 /nfs/dbraw/zinc/97/87/71/1128978771.db2.gz JELWTOWAXJKYTJ-UHFFFAOYSA-N 0 0 286.375 3.519 20 10 CHCDRN CCCOc1cccc(Nc2cccc(O)c2O)c1 ZINC001175600148 1121381538 /nfs/dbraw/zinc/38/15/38/1121381538.db2.gz UWLLQDTWSQBMON-UHFFFAOYSA-N 0 0 259.305 3.630 20 10 CHCDRN Cc1ccc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])s1 ZINC000708535700 1121468497 /nfs/dbraw/zinc/46/84/97/1121468497.db2.gz PKISEVKEDCFXNP-VIFPVBQESA-N 0 0 283.343 3.891 20 10 CHCDRN CCc1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])s1 ZINC000708548957 1121468675 /nfs/dbraw/zinc/46/86/75/1121468675.db2.gz KRVGZSLACQMCMH-UHFFFAOYSA-N 0 0 283.343 3.584 20 10 CHCDRN CC1(C)C[C@@H](C[NH2+]Cc2cccc(Cl)c2[O-])C(C)(C)O1 ZINC000709705348 1121469417 /nfs/dbraw/zinc/46/94/17/1121469417.db2.gz MLCJWGMYQFRKQS-LBPRGKRZSA-N 0 0 297.826 3.729 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000709309798 1121470875 /nfs/dbraw/zinc/47/08/75/1121470875.db2.gz VRZQWZKUJIZHHD-CYBMUJFWSA-N 0 0 295.810 3.627 20 10 CHCDRN C[C@H]1CCC[C@H](CCNC(=O)Nc2ccc(N)cc2)C1 ZINC000070549723 1128986498 /nfs/dbraw/zinc/98/64/98/1128986498.db2.gz XTOFJHQTMNSOLX-QWHCGFSZSA-N 0 0 275.396 3.607 20 10 CHCDRN CCc1cccc(CNc2cccc(COC)c2)c1O ZINC000709455176 1121471103 /nfs/dbraw/zinc/47/11/03/1121471103.db2.gz MUXIQUBBSQZBFM-UHFFFAOYSA-N 0 0 271.360 3.713 20 10 CHCDRN CCN(CC)c1ccc(CN[C@H](C)C(F)(F)F)cc1F ZINC000759997811 1121517931 /nfs/dbraw/zinc/51/79/31/1121517931.db2.gz CKNGCTBEDVAUOV-SNVBAGLBSA-N 0 0 292.320 3.712 20 10 CHCDRN Nc1ccc(Cc2ccccc2NC2=CCOCC2)cc1 ZINC001176146885 1121549816 /nfs/dbraw/zinc/54/98/16/1121549816.db2.gz IOEVFASENUEEOT-UHFFFAOYSA-N 0 0 280.371 3.576 20 10 CHCDRN CCCOc1cccc(F)c1Nc1cccc(O)c1O ZINC001211788243 1121588780 /nfs/dbraw/zinc/58/87/80/1121588780.db2.gz QOAOJRGZGJAJIP-UHFFFAOYSA-N 0 0 277.295 3.769 20 10 CHCDRN CCCCSCC(=O)N(CCC)Cc1ccccc1O ZINC000727168676 1121704500 /nfs/dbraw/zinc/70/45/00/1121704500.db2.gz UUZVASHMZGXVHI-UHFFFAOYSA-N 0 0 295.448 3.664 20 10 CHCDRN C[C@@H]1CCC[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC001177240678 1121718841 /nfs/dbraw/zinc/71/88/41/1121718841.db2.gz QIUVQUGCTDJPKI-NXEZZACHSA-N 0 0 271.763 3.853 20 10 CHCDRN Cc1cc(O)c(CNc2ccc3n[nH]cc3c2)c(Cl)c1 ZINC001178013259 1121762028 /nfs/dbraw/zinc/76/20/28/1121762028.db2.gz UZPAJCWMLYWTRZ-UHFFFAOYSA-N 0 0 287.750 3.842 20 10 CHCDRN CC[C@@H](Sc1nccs1)C(=O)c1ccc(OC)cc1 ZINC000730953579 1121839438 /nfs/dbraw/zinc/83/94/38/1121839438.db2.gz KNBYDHYTSNBQRU-GFCCVEGCSA-N 0 0 293.413 3.905 20 10 CHCDRN CCC[C@@H]1C[C@H]1C(=O)NCc1c(O)ccc2ccccc21 ZINC001179032893 1121846154 /nfs/dbraw/zinc/84/61/54/1121846154.db2.gz QOWBLMJHYJVREE-UKRRQHHQSA-N 0 0 283.371 3.598 20 10 CHCDRN CC[C@H](C)[C@@H](C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001179032760 1121845897 /nfs/dbraw/zinc/84/58/97/1121845897.db2.gz NDIHINVOSHIMEE-QWHCGFSZSA-N 0 0 285.387 3.844 20 10 CHCDRN CCN(c1ccc(OC)c(OC)c1)[C@@H]1C=CCCC1 ZINC000731212067 1121854851 /nfs/dbraw/zinc/85/48/51/1121854851.db2.gz QRFTXQBVXGNMTB-CYBMUJFWSA-N 0 0 261.365 3.639 20 10 CHCDRN CC/C=C(\C)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000731346888 1121863324 /nfs/dbraw/zinc/86/33/24/1121863324.db2.gz ACLZLVMCADYYGE-MDWZMJQESA-N 0 0 292.398 3.644 20 10 CHCDRN Cc1ccc([C@@H]2CCCN2C(=O)C2=CC(=O)CS2)cc1 ZINC000731868658 1121889590 /nfs/dbraw/zinc/88/95/90/1121889590.db2.gz NYXFFYDKNGWXEM-AWEZNQCLSA-N 0 0 287.384 3.739 20 10 CHCDRN C[C@H](OC(=O)C1=CC(=O)CS1)c1cc(F)ccc1F ZINC000731909155 1121894609 /nfs/dbraw/zinc/89/46/09/1121894609.db2.gz BHLFBKFXIRWZSE-ZETCQYMHSA-N 0 0 284.283 3.650 20 10 CHCDRN Cc1cc(F)c(C[NH2+]Cc2cc(F)cc(F)c2[O-])c(F)c1 ZINC001179662280 1121899715 /nfs/dbraw/zinc/89/97/15/1121899715.db2.gz ITABGMVXPMYKJO-UHFFFAOYSA-N 0 0 299.267 3.547 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1ccc2cnccc2c1 ZINC001179768800 1121906277 /nfs/dbraw/zinc/90/62/77/1121906277.db2.gz WXLVOWFGXRMQGP-UHFFFAOYSA-N 0 0 298.773 3.884 20 10 CHCDRN CCc1nc([C@H](C)NCc2ccc(OC)c(C)c2)cs1 ZINC000732232268 1121914415 /nfs/dbraw/zinc/91/44/15/1121914415.db2.gz HQSTZQLMMYULNR-LBPRGKRZSA-N 0 0 290.432 3.873 20 10 CHCDRN O=C(N[C@H]1CCc2c1cccc2Cl)C1=CC(=O)CS1 ZINC000732275408 1121914549 /nfs/dbraw/zinc/91/45/49/1121914549.db2.gz BUXTYZQBTRJLID-LBPRGKRZSA-N 0 0 293.775 3.524 20 10 CHCDRN C[C@@H](c1cc(F)ccc1F)N(C)C(=O)C1=CC(=O)CS1 ZINC000732269985 1121916098 /nfs/dbraw/zinc/91/60/98/1121916098.db2.gz XTMLERVBQVAURK-QMMMGPOBSA-N 0 0 297.326 3.565 20 10 CHCDRN CCCN(Cc1ccccc1F)C(=O)C1=CC(=O)CS1 ZINC000732268646 1121916454 /nfs/dbraw/zinc/91/64/54/1121916454.db2.gz LLOCMEHBEFNRIK-UHFFFAOYSA-N 0 0 293.363 3.645 20 10 CHCDRN CCC[C@@H](Cc1ccccc1)NC(=O)C1=CC(=O)CS1 ZINC000732285056 1121916622 /nfs/dbraw/zinc/91/66/22/1121916622.db2.gz PDVZAXSCRVOYFS-ZDUSSCGKSA-N 0 0 289.400 3.595 20 10 CHCDRN CCCN(Cc1ccc(F)cc1)C(=O)C1=CC(=O)CS1 ZINC000732270048 1121916828 /nfs/dbraw/zinc/91/68/28/1121916828.db2.gz YROYPVMCYXSIBW-UHFFFAOYSA-N 0 0 293.363 3.645 20 10 CHCDRN CC(C)Oc1ccc(COC(=O)C2=CC(=O)CS2)cc1 ZINC000732353089 1121917781 /nfs/dbraw/zinc/91/77/81/1121917781.db2.gz LQQRTAJWMXKJCM-UHFFFAOYSA-N 0 0 292.356 3.598 20 10 CHCDRN CCN(CC1CC1)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000732642970 1121930654 /nfs/dbraw/zinc/93/06/54/1121930654.db2.gz BWBFDQBJOJUMAN-UHFFFAOYSA-N 0 0 296.414 3.966 20 10 CHCDRN C[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC001180029869 1121940117 /nfs/dbraw/zinc/94/01/17/1121940117.db2.gz GSAOPCGWERGJPN-JTQLQIEISA-N 0 0 271.763 3.807 20 10 CHCDRN COc1ccc(N(CC(C)C)CC2CCOCC2)cc1 ZINC000732982287 1121949704 /nfs/dbraw/zinc/94/97/04/1121949704.db2.gz PDAKVMXMJGUGFT-UHFFFAOYSA-N 0 0 277.408 3.584 20 10 CHCDRN CC(C)C[C@H]1COCC[N@@H+]1Cc1cc(C(C)C)ccc1O ZINC001180267102 1121968931 /nfs/dbraw/zinc/96/89/31/1121968931.db2.gz OEDSCJNAWRTIML-KRWDZBQOSA-N 0 0 291.435 3.763 20 10 CHCDRN CC[C@H](OC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000733496996 1121994909 /nfs/dbraw/zinc/99/49/09/1121994909.db2.gz OYJOIVQNCGVLOJ-LBPRGKRZSA-N 0 0 262.330 3.762 20 10 CHCDRN C[C@@H]1CCC[C@@H](C[NH2+]Cc2cc(F)c(F)cc2[O-])[C@@H]1C ZINC001181233356 1122044765 /nfs/dbraw/zinc/04/47/65/1122044765.db2.gz AMZCUEKTLDGMSZ-UTUOFQBUSA-N 0 0 283.362 3.832 20 10 CHCDRN Cc1ccc(F)c(C[N@@H+](C)Cc2cc(F)cc(F)c2[O-])c1 ZINC001181285279 1122046289 /nfs/dbraw/zinc/04/62/89/1122046289.db2.gz LLTLWMROLXHQEO-UHFFFAOYSA-N 0 0 295.304 3.750 20 10 CHCDRN C[C@@H]1CC[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001181399435 1122053165 /nfs/dbraw/zinc/05/31/65/1122053165.db2.gz IPYVNCWOWUEHSM-NXEZZACHSA-N 0 0 271.763 3.711 20 10 CHCDRN [O-]c1c(CNc2cc3c(c[nH+]2)CCCC3)ccc(F)c1F ZINC001182020490 1122107951 /nfs/dbraw/zinc/10/79/51/1122107951.db2.gz KPKURKZMDGBXLU-UHFFFAOYSA-N 0 0 290.313 3.556 20 10 CHCDRN CO[C@@H](C)CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774168044 1122136608 /nfs/dbraw/zinc/13/66/08/1122136608.db2.gz FMQJEXFKHCKZNR-DTWKUNHWSA-N 0 0 292.206 3.775 20 10 CHCDRN C[C@@H](NCc1ccon1)c1cc(Cl)c(Cl)cc1O ZINC000774211430 1122141175 /nfs/dbraw/zinc/14/11/75/1122141175.db2.gz WXORHTBEKINLOS-SSDOTTSWSA-N 0 0 287.146 3.538 20 10 CHCDRN C[C@@H](NCc1cocn1)c1cc(Cl)c(Cl)cc1O ZINC000774294634 1122150665 /nfs/dbraw/zinc/15/06/65/1122150665.db2.gz XEEDKBVJIORDHA-SSDOTTSWSA-N 0 0 287.146 3.538 20 10 CHCDRN [O-]c1cc(F)c(F)cc1C[NH2+]C[C@H]1CC2CCC1CC2 ZINC001182532920 1122173904 /nfs/dbraw/zinc/17/39/04/1122173904.db2.gz HUBAEQJQVSFJLP-HTAVTVPLSA-N 0 0 281.346 3.586 20 10 CHCDRN Oc1ccccc1CNc1ccnc2ccc(Cl)cc21 ZINC000774522840 1122178492 /nfs/dbraw/zinc/17/84/92/1122178492.db2.gz AHYRUUDRNLKASA-UHFFFAOYSA-N 0 0 284.746 3.628 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH2+]C1(c2ccccc2)CC1 ZINC000271909252 1122182350 /nfs/dbraw/zinc/18/23/50/1122182350.db2.gz XOHHUGGDDLHTHC-UHFFFAOYSA-N 0 0 273.763 3.825 20 10 CHCDRN Cc1cc(Cl)c(C(=O)NCc2ccccc2O)cc1C ZINC000781349966 1122183906 /nfs/dbraw/zinc/18/39/06/1122183906.db2.gz HVRBLFIFQYLMQZ-UHFFFAOYSA-N 0 0 289.762 3.592 20 10 CHCDRN [O-]c1cc(F)c(F)cc1C[NH+]1CCC(C2CCC2)CC1 ZINC001182795468 1122187034 /nfs/dbraw/zinc/18/70/34/1122187034.db2.gz CGVANGWWMFNILX-UHFFFAOYSA-N 0 0 281.346 3.683 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCSC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273352988 1122228824 /nfs/dbraw/zinc/22/88/24/1122228824.db2.gz CCDZWRWSEHPSFE-JGVFFNPUSA-N 0 0 292.231 3.855 20 10 CHCDRN CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC001184265014 1122265857 /nfs/dbraw/zinc/26/58/57/1122265857.db2.gz NWFSFIIGWAQVCJ-OCCSQVGLSA-N 0 0 267.800 3.960 20 10 CHCDRN CCc1nc(C)cc(NCc2ccc(N(CC)CC)cc2)n1 ZINC001184925645 1122303185 /nfs/dbraw/zinc/30/31/85/1122303185.db2.gz ANRFNQGOJFHIGS-UHFFFAOYSA-N 0 0 298.434 3.806 20 10 CHCDRN Cc1ccccc1-c1nsc(NCc2ccccc2O)n1 ZINC001185098739 1122315683 /nfs/dbraw/zinc/31/56/83/1122315683.db2.gz PYTKMYRDMUWHQZ-UHFFFAOYSA-N 0 0 297.383 3.831 20 10 CHCDRN CCc1ccccc1NC(=O)NCc1cccc(C)c1O ZINC001187656581 1122436598 /nfs/dbraw/zinc/43/65/98/1122436598.db2.gz VATQPMMJPRNODN-UHFFFAOYSA-N 0 0 284.359 3.585 20 10 CHCDRN Cc1ccc(C(=O)N(C)Cc2ccccc2O)c(Cl)c1 ZINC000191845626 1122472245 /nfs/dbraw/zinc/47/22/45/1122472245.db2.gz GLQNCTLZANBFAQ-UHFFFAOYSA-N 0 0 289.762 3.626 20 10 CHCDRN CC(C)c1ccc(N(C)C(=O)/C=C\c2cncc(O)c2)cc1 ZINC000779673199 1129057118 /nfs/dbraw/zinc/05/71/18/1129057118.db2.gz VFGDZQMDXCIUDC-WTKPLQERSA-N 0 0 296.370 3.587 20 10 CHCDRN C[C@@H]1OCC[C@@H]1CSc1ncc(C(C)(C)C)s1 ZINC001188939111 1122481336 /nfs/dbraw/zinc/48/13/36/1122481336.db2.gz BEXZQBUSSTZELQ-VHSXEESVSA-N 0 0 271.451 3.958 20 10 CHCDRN COC(=O)c1cnc(SC[C@@H]2CCC[C@@H](C)C2)s1 ZINC001189407587 1122500794 /nfs/dbraw/zinc/50/07/94/1122500794.db2.gz FGMNAQXWXDKQOX-NXEZZACHSA-N 0 0 285.434 3.848 20 10 CHCDRN COc1cccc(C(=O)CSc2ncc(Cl)s2)c1 ZINC001189833366 1122517556 /nfs/dbraw/zinc/51/75/56/1122517556.db2.gz VUNKWGMOBVEFLP-UHFFFAOYSA-N 0 0 299.804 3.780 20 10 CHCDRN C[C@H](NC(=O)C(F)=C1CCCC1)c1ccc(N(C)C)cc1 ZINC000775409344 1122553721 /nfs/dbraw/zinc/55/37/21/1122553721.db2.gz FODZQDVZGMYKCX-LBPRGKRZSA-N 0 0 290.382 3.727 20 10 CHCDRN Cc1ccncc1NCc1ccc(N2CCCCC2)cc1 ZINC000071413579 1129063108 /nfs/dbraw/zinc/06/31/08/1129063108.db2.gz GNZNCFSBJSVVHN-UHFFFAOYSA-N 0 0 281.403 3.992 20 10 CHCDRN CN(c1ccc(N)cc1)c1cc(F)cc2[nH]ccc21 ZINC001203736281 1122584627 /nfs/dbraw/zinc/58/46/27/1122584627.db2.gz SGNOVGQMTNHFQF-UHFFFAOYSA-N 0 0 255.296 3.657 20 10 CHCDRN Cc1ccc(Cl)c(NC(=O)Nc2cccc(O)c2O)c1 ZINC001191702586 1122609149 /nfs/dbraw/zinc/60/91/49/1122609149.db2.gz JYGOPUGLGJLCTD-UHFFFAOYSA-N 0 0 292.722 3.704 20 10 CHCDRN CC[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1ccccc1O ZINC000775525603 1122645709 /nfs/dbraw/zinc/64/57/09/1122645709.db2.gz XNBOUEDVOWTRPY-WBAXXEDZSA-N 0 0 299.414 3.598 20 10 CHCDRN C[C@H]1CCCC[C@H]1CN1CCOc2cc(N(C)C)ccc21 ZINC001192939437 1122665687 /nfs/dbraw/zinc/66/56/87/1122665687.db2.gz NADYFIIJAQKSEI-GJZGRUSLSA-N 0 0 288.435 3.778 20 10 CHCDRN CSCCCCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000775581929 1122682061 /nfs/dbraw/zinc/68/20/61/1122682061.db2.gz MGHSAKPHDNUQLU-JTQLQIEISA-N 0 0 289.391 3.854 20 10 CHCDRN CCCCCNC(=O)NCc1cc2ccccc2cc1O ZINC001193356118 1122685734 /nfs/dbraw/zinc/68/57/34/1122685734.db2.gz IUWAZYNGGGGRFE-UHFFFAOYSA-N 0 0 286.375 3.535 20 10 CHCDRN CC[C@H](Nc1ccc(OC)nc1)c1ccc(N(C)C)cc1 ZINC000775619901 1122819120 /nfs/dbraw/zinc/81/91/20/1122819120.db2.gz TZLJKYWBZCLSQI-INIZCTEOSA-N 0 0 285.391 3.719 20 10 CHCDRN CCc1ccc(NC(=O)C2=CC(=O)CS2)cc1CC ZINC000775619501 1122820259 /nfs/dbraw/zinc/82/02/59/1122820259.db2.gz XQQSAYNXNJXISD-UHFFFAOYSA-N 0 0 275.373 3.831 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000775662946 1122874478 /nfs/dbraw/zinc/87/44/78/1122874478.db2.gz XASOPRPBILTNHY-YGRLFVJLSA-N 0 0 283.774 3.949 20 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1131248651 /nfs/dbraw/zinc/24/86/51/1131248651.db2.gz TVDFXLMWTWHJIK-NSHDSACASA-N 0 0 291.313 3.591 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F)c1c([O-])cccc1F ZINC001119438113 1131254350 /nfs/dbraw/zinc/25/43/50/1131254350.db2.gz IDHXFZLHOWTOHD-ZDCRXTMVSA-N 0 0 285.309 3.616 20 10 CHCDRN Nc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1 ZINC000868162873 1124460139 /nfs/dbraw/zinc/46/01/39/1124460139.db2.gz JQCKBCFPJKAJRX-IAGOWNOFSA-N 0 0 295.386 3.727 20 10 CHCDRN CC(C)[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871202352 1124602373 /nfs/dbraw/zinc/60/23/73/1124602373.db2.gz FLHUCJAUNFNXAR-GOSISDBHSA-N 0 0 295.382 3.674 20 10 CHCDRN CCCCCC[C@H](C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202309 1124602548 /nfs/dbraw/zinc/60/25/48/1124602548.db2.gz CZGCVVCKXUOMMM-ZDUSSCGKSA-N 0 0 275.392 3.841 20 10 CHCDRN O=C(C1CCCCCCC1)N1Cc2cccc(O)c2C1 ZINC000871202489 1124602902 /nfs/dbraw/zinc/60/29/02/1124602902.db2.gz JGLWJXREKQIJET-UHFFFAOYSA-N 0 0 273.376 3.595 20 10 CHCDRN CCC[C@@H](C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC000871197328 1124603000 /nfs/dbraw/zinc/60/30/00/1124603000.db2.gz AAEHEORENFXCCU-MRXNPFEDSA-N 0 0 295.382 3.818 20 10 CHCDRN O=C(CCC1CCCCCC1)N1Cc2cccc(O)c2C1 ZINC000871206225 1124603952 /nfs/dbraw/zinc/60/39/52/1124603952.db2.gz WVBWVVFCUAHGKC-UHFFFAOYSA-N 0 0 287.403 3.985 20 10 CHCDRN CO[C@H]1C[C@@H](CSc2ncc(-c3ccccc3)n2C)C1 ZINC000871640485 1124621172 /nfs/dbraw/zinc/62/11/72/1124621172.db2.gz OMBPTGLAPIMHBX-XBXGTLAGSA-N 0 0 288.416 3.604 20 10 CHCDRN CC(C)Nc1ccccc1NCc1nc2c(o1)CCCC2 ZINC000871845775 1124644997 /nfs/dbraw/zinc/64/49/97/1124644997.db2.gz FCYMLKVESDFABS-UHFFFAOYSA-N 0 0 285.391 3.986 20 10 CHCDRN CCc1cnc(CNc2ccccc2NC(C)C)o1 ZINC000871846127 1124645593 /nfs/dbraw/zinc/64/55/93/1124645593.db2.gz RXHMEDIUUBRQBP-UHFFFAOYSA-N 0 0 259.353 3.669 20 10 CHCDRN CCn1ncc(N[C@@H](C)c2ccc(Cl)cc2O)c1C ZINC000872139750 1124695892 /nfs/dbraw/zinc/69/58/92/1124695892.db2.gz PDQATCLJNQFNTH-VIFPVBQESA-N 0 0 279.771 3.744 20 10 CHCDRN CC[C@@H](Nc1cnn(CC)c1C)c1ccc(F)cc1O ZINC000872140132 1124695820 /nfs/dbraw/zinc/69/58/20/1124695820.db2.gz YAGZWZNCQZCZPV-CYBMUJFWSA-N 0 0 277.343 3.619 20 10 CHCDRN CC[C@H](Cc1ccccc1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827978303 1131277924 /nfs/dbraw/zinc/27/79/24/1131277924.db2.gz OUYWKVXYWLTWKM-GOEBONIOSA-N 0 0 297.398 3.838 20 10 CHCDRN COc1ccc(O)c([C@@H](C)Nc2cccc(F)c2)c1 ZINC000019920829 1124772249 /nfs/dbraw/zinc/77/22/49/1124772249.db2.gz VVAXTQSSWRSVGL-SNVBAGLBSA-N 0 0 261.296 3.713 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)CCCC(C)C ZINC000825679456 1124773234 /nfs/dbraw/zinc/77/32/34/1124773234.db2.gz RXXSZLWCHQTORA-UHFFFAOYSA-N 0 0 277.408 3.957 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H]1CC ZINC000825679473 1124773582 /nfs/dbraw/zinc/77/35/82/1124773582.db2.gz SVNGIUOHKXLPGJ-GOEBONIOSA-N 0 0 289.419 3.957 20 10 CHCDRN C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000124688361 1124806596 /nfs/dbraw/zinc/80/65/96/1124806596.db2.gz JJLPEJOLDCZKPK-ZYHUDNBSSA-N 0 0 253.773 3.714 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/nfs/dbraw/zinc/43/40/86/1129434086.db2.gz LCIHMIORHMTMCX-UHFFFAOYSA-N 0 0 288.416 3.803 20 10 CHCDRN CCCC[C@H](COC)[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796772449 1129441559 /nfs/dbraw/zinc/44/15/59/1129441559.db2.gz RXVJRUFVUJUMIT-HIFRSBDPSA-N 0 0 283.387 3.777 20 10 CHCDRN C[C@@H](Nc1ccc(F)c(F)c1)c1cc(F)ccc1O ZINC000094616686 1129448428 /nfs/dbraw/zinc/44/84/28/1129448428.db2.gz DLHSJKNEKDRAQU-MRVPVSSYSA-N 0 0 267.250 3.983 20 10 CHCDRN O=C(C[C@H]1C=CCC1)NCc1ccc(N2CCCCC2)cc1 ZINC000742475705 1129481061 /nfs/dbraw/zinc/48/10/61/1129481061.db2.gz LKVDZBUFPFYIFJ-INIZCTEOSA-N 0 0 298.430 3.649 20 10 CHCDRN O=C(C=C1CCCC1)NCc1ccc(N2CCCCC2)cc1 ZINC000742468498 1129481327 /nfs/dbraw/zinc/48/13/27/1129481327.db2.gz GMDBWIWTILWXRU-UHFFFAOYSA-N 0 0 298.430 3.794 20 10 CHCDRN CCCCC[C@H](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000742489053 1129482040 /nfs/dbraw/zinc/48/20/40/1129482040.db2.gz UOUMUAXODJJODA-HNNXBMFYSA-N 0 0 290.451 3.975 20 10 CHCDRN CCSc1ccccc1C(=O)N1C[C@@H](C)S[C@H](C)C1 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Cc1ccc(C(=O)NCc2ccccc2O)c2ccccc12 ZINC001545681760 1129617289 /nfs/dbraw/zinc/61/72/89/1129617289.db2.gz AEUZILIJWWRGHI-UHFFFAOYSA-N 0 0 291.350 3.784 20 10 CHCDRN CCCN(C)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000745975567 1129621012 /nfs/dbraw/zinc/62/10/12/1129621012.db2.gz GIQZDQCXHHZRDQ-UHFFFAOYSA-N 0 0 284.403 3.885 20 10 CHCDRN COc1ccc2c(c1)CCCCN2CC1CCC(=O)CC1 ZINC000828568552 1131391720 /nfs/dbraw/zinc/39/17/20/1131391720.db2.gz FFGAKFQVFXUVOU-UHFFFAOYSA-N 0 0 287.403 3.597 20 10 CHCDRN Cc1ccncc1/C=C/C(=O)N1CCc2cc(C)c(C)cc21 ZINC000804321854 1129726477 /nfs/dbraw/zinc/72/64/77/1129726477.db2.gz LBXOIWBWXZPCNB-SNAWJCMRSA-N 0 0 292.382 3.609 20 10 CHCDRN CCOc1ccc(N(CC)Cc2cncc(F)c2)cc1 ZINC000796447084 1129727173 /nfs/dbraw/zinc/72/71/73/1129727173.db2.gz IZKNMADSKOQLPS-UHFFFAOYSA-N 0 0 274.339 3.646 20 10 CHCDRN C[C@@H](O)c1cc(NCc2c(O)cccc2Cl)ccc1F ZINC000796518389 1129768047 /nfs/dbraw/zinc/76/80/47/1129768047.db2.gz GMNOWPMOIWDKNU-SECBINFHSA-N 0 0 295.741 3.850 20 10 CHCDRN Cc1cccc(Cl)c1NC(=O)NCc1ccccc1O ZINC000767978509 1129823266 /nfs/dbraw/zinc/82/32/66/1129823266.db2.gz GCDPGLGKSBMVKJ-UHFFFAOYSA-N 0 0 290.750 3.676 20 10 CHCDRN COc1ccc2c(c1)CCN2Cc1cncc2ccccc21 ZINC000768128999 1129835528 /nfs/dbraw/zinc/83/55/28/1129835528.db2.gz BQWZFODFGSGAJA-UHFFFAOYSA-N 0 0 290.366 3.806 20 10 CHCDRN CCCN(Cc1cc2c(cc1O)CCCC2)CC(F)F ZINC000768445604 1129858041 /nfs/dbraw/zinc/85/80/41/1129858041.db2.gz ROAFRJCWFMONTP-UHFFFAOYSA-N 0 0 283.362 3.748 20 10 CHCDRN CC(C)CCCC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000828860665 1131403171 /nfs/dbraw/zinc/40/31/71/1131403171.db2.gz FFLDZJBCOSKAGQ-CQSZACIVSA-N 0 0 276.424 3.756 20 10 CHCDRN COc1ccc(NCc2ccc(O)c(O)c2)cc1C(C)C ZINC001169997222 1129877115 /nfs/dbraw/zinc/87/71/15/1129877115.db2.gz WBBQYKQHNUGVSP-UHFFFAOYSA-N 0 0 287.359 3.842 20 10 CHCDRN CCc1cccc(CC)c1NCc1ccc(O)c(O)c1 ZINC001169997427 1129879010 /nfs/dbraw/zinc/87/90/10/1129879010.db2.gz WYDCFXIEIMGAIE-UHFFFAOYSA-N 0 0 271.360 3.835 20 10 CHCDRN 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20 10 CHCDRN CCCC(C)(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000782007314 1130752797 /nfs/dbraw/zinc/75/27/97/1130752797.db2.gz DKPIVJVMCXKIFP-UHFFFAOYSA-N 0 0 276.424 3.585 20 10 CHCDRN Cn1cnc2cc(NCc3ccc(Cl)cc3F)ccc21 ZINC000782531635 1130781360 /nfs/dbraw/zinc/78/13/60/1130781360.db2.gz CBPFNUSRKGADDM-UHFFFAOYSA-N 0 0 289.741 3.978 20 10 CHCDRN O=C(NCc1ccc(N2CCCCC2)cc1)C1=CCCCC1 ZINC000782670669 1130786335 /nfs/dbraw/zinc/78/63/35/1130786335.db2.gz BHUNWHKCRLREMZ-UHFFFAOYSA-N 0 0 298.430 3.794 20 10 CHCDRN CCOc1ccccc1N(C)Cc1cccc(C)c1O ZINC000783694753 1130848163 /nfs/dbraw/zinc/84/81/63/1130848163.db2.gz FULMZADXHLFZGP-UHFFFAOYSA-N 0 0 271.360 3.736 20 10 CHCDRN Nc1ccc(Nc2nc3ccccc3nc2Cl)cc1 ZINC001159171769 1130882406 /nfs/dbraw/zinc/88/24/06/1130882406.db2.gz QYICRMWLQZKKAR-UHFFFAOYSA-N 0 0 270.723 3.609 20 10 CHCDRN CC[C@@H]([NH2+]CCN(C(C)C)C(C)C)c1ccc(F)cc1[O-] ZINC000796670828 1130923158 /nfs/dbraw/zinc/92/31/58/1130923158.db2.gz FLONAARZVMGLAW-MRXNPFEDSA-N 0 0 296.430 3.691 20 10 CHCDRN CC[C@H]([NH2+]CCc1nc(C)cs1)c1ccc(F)cc1[O-] ZINC000796695933 1130924349 /nfs/dbraw/zinc/92/43/49/1130924349.db2.gz OXVUAHRPLCVWOB-ZDUSSCGKSA-N 0 0 294.395 3.580 20 10 CHCDRN Cc1c(-c2cnc3ccn(C)c3c2)cnn1-c1ccccc1 ZINC001236403350 1130928364 /nfs/dbraw/zinc/92/83/64/1130928364.db2.gz JHYWVAZSLAIJBY-UHFFFAOYSA-N 0 0 288.354 3.734 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cc(C(C)C)no1)c1ccc(F)cc1[O-] ZINC000796763961 1130930376 /nfs/dbraw/zinc/93/03/76/1130930376.db2.gz SYUOCMQEVJQZJY-CQSZACIVSA-N 0 0 292.354 3.884 20 10 CHCDRN CC[C@@H]([NH2+]CC1(O)CCCCCC1)c1ccc(F)cc1[O-] ZINC000796780747 1130932299 /nfs/dbraw/zinc/93/22/99/1130932299.db2.gz SUUZKRBOMDXXKL-OAHLLOKOSA-N 0 0 295.398 3.657 20 10 CHCDRN CC[C@H]([NH2+]CCNc1ccccc1)c1ccc(F)cc1[O-] ZINC000796793589 1130932815 /nfs/dbraw/zinc/93/28/15/1130932815.db2.gz OJDRYSDTAJGKKB-INIZCTEOSA-N 0 0 288.366 3.684 20 10 CHCDRN CC[C@@H]([NH2+]Cc1ncc(C)s1)c1ccc(F)cc1[O-] ZINC000796785528 1130933207 /nfs/dbraw/zinc/93/32/07/1130933207.db2.gz KHMRGNCQQRVLAM-GFCCVEGCSA-N 0 0 280.368 3.537 20 10 CHCDRN CC[C@@H]([NH2+][C@@H](C)CC(C)(C)OC)c1ccc(F)cc1[O-] ZINC000796787608 1130933300 /nfs/dbraw/zinc/93/33/00/1130933300.db2.gz OORDGFCUKNRGHS-SMDDNHRTSA-N 0 0 283.387 3.776 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)Cc1ccncc1)c1ccc(F)cc1[O-] ZINC000796797544 1130933930 /nfs/dbraw/zinc/93/39/30/1130933930.db2.gz IINYPPKLNRNZRL-WBMJQRKESA-N 0 0 288.366 3.598 20 10 CHCDRN CC[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(F)cc1[O-] ZINC000796824513 1130936212 /nfs/dbraw/zinc/93/62/12/1130936212.db2.gz HUNUMBMQJPFKFD-ZWNOBZJWSA-N 0 0 251.345 3.618 20 10 CHCDRN COc1cc(Nc2ccc3c(c2)CCCN3)cc(C)n1 ZINC001159287488 1130958120 /nfs/dbraw/zinc/95/81/20/1130958120.db2.gz CIEMPOWBLFRWII-UHFFFAOYSA-N 0 0 269.348 3.500 20 10 CHCDRN COc1ccc(C[N@H+](C)C[C@H]2CC2(C)C)c([O-])c1Cl ZINC001236807597 1131012791 /nfs/dbraw/zinc/01/27/91/1131012791.db2.gz QRZCHZUEBGTDCO-LLVKDONJSA-N 0 0 283.799 3.532 20 10 CHCDRN COc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c([O-])c1Cl ZINC001236812465 1131013029 /nfs/dbraw/zinc/01/30/29/1131013029.db2.gz WRPOMOKCBXQISW-DGCLKSJQSA-N 0 0 295.810 3.819 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000797906275 1131014333 /nfs/dbraw/zinc/01/43/33/1131014333.db2.gz YPNUOGIVAXKZTM-WCQYABFASA-N 0 0 286.202 3.977 20 10 CHCDRN CCOC1(C[NH2+][C@H](CC)c2ccc(F)cc2[O-])CCCC1 ZINC000815645046 1131015646 /nfs/dbraw/zinc/01/56/46/1131015646.db2.gz SWKVZIMUGXHMNM-OAHLLOKOSA-N 0 0 295.398 3.921 20 10 CHCDRN CC1=CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000798090658 1131024648 /nfs/dbraw/zinc/02/46/48/1131024648.db2.gz WGFUGCBGVSUDTM-UHFFFAOYSA-N 0 0 272.175 3.851 20 10 CHCDRN C[C@@H]1CC[N@H+](Cc2c([O-])ccc(Cl)c2Cl)C1 ZINC001237077104 1131045768 /nfs/dbraw/zinc/04/57/68/1131045768.db2.gz CVSYLEQQDXGIJN-MRVPVSSYSA-N 0 0 260.164 3.541 20 10 CHCDRN C[C@@H]1C[C@@H](F)CN1Cc1c(O)ccc(Cl)c1Cl ZINC001237077620 1131045935 /nfs/dbraw/zinc/04/59/35/1131045935.db2.gz IVQWSQCHFXXLAF-HTQZYQBOSA-N 0 0 278.154 3.631 20 10 CHCDRN Oc1ccc(Cl)c(Cl)c1CN1Cc2ccncc2C1 ZINC001237080449 1131047756 /nfs/dbraw/zinc/04/77/56/1131047756.db2.gz CXJQHIJPCXRYIJ-UHFFFAOYSA-N 0 0 295.169 3.610 20 10 CHCDRN CN(Cc1c(O)ccc(Cl)c1Cl)CC(F)(F)F ZINC001237078075 1131047780 /nfs/dbraw/zinc/04/77/80/1131047780.db2.gz NEZPEMBJPMVSOQ-UHFFFAOYSA-N 0 0 288.096 3.693 20 10 CHCDRN C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816481113 1131098442 /nfs/dbraw/zinc/09/84/42/1131098442.db2.gz JJZUBJMFHKSPKR-VIFPVBQESA-N 0 0 257.736 3.559 20 10 CHCDRN Cc1ccc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2[O-])o1 ZINC000816481881 1131098705 /nfs/dbraw/zinc/09/87/05/1131098705.db2.gz LQHYVFAXUUJIJF-UHFFFAOYSA-N 0 0 283.730 3.718 20 10 CHCDRN CCC(C)(C)[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816507635 1131102477 /nfs/dbraw/zinc/10/24/77/1131102477.db2.gz NRTQGSCTWWTPJR-UHFFFAOYSA-N 0 0 259.752 3.805 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cccc(F)c1 ZINC000816531405 1131105640 /nfs/dbraw/zinc/10/56/40/1131105640.db2.gz QKQPZLMFDIGISR-UHFFFAOYSA-N 0 0 283.705 3.614 20 10 CHCDRN Cc1ccc(NCc2cc(Cl)c(F)cc2O)nc1 ZINC000816536656 1131106007 /nfs/dbraw/zinc/10/60/07/1131106007.db2.gz FYAQSCGYLTTWMR-UHFFFAOYSA-N 0 0 266.703 3.500 20 10 CHCDRN CCC[C@@H](CC)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816548699 1131106932 /nfs/dbraw/zinc/10/69/32/1131106932.db2.gz PUVJJZPGSZHTMB-SNVBAGLBSA-N 0 0 259.752 3.853 20 10 CHCDRN COc1cc(F)ccc1NCc1cc(Cl)c(F)cc1O ZINC000816521908 1131107122 /nfs/dbraw/zinc/10/71/22/1131107122.db2.gz CHOHNQFJGQMBHT-UHFFFAOYSA-N 0 0 299.704 3.945 20 10 CHCDRN CC1=CC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000816592939 1131109720 /nfs/dbraw/zinc/10/97/20/1131109720.db2.gz ZBWIGXBGRBCOHZ-GFCCVEGCSA-N 0 0 296.208 3.743 20 10 CHCDRN CS[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816554958 1131110189 /nfs/dbraw/zinc/11/01/89/1131110189.db2.gz OMXOLGXFDAPDMY-UWVGGRQHSA-N 0 0 289.803 3.558 20 10 CHCDRN CC(C)C1(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816554752 1131110211 /nfs/dbraw/zinc/11/02/11/1131110211.db2.gz IEAJMTVFJHHPJD-UHFFFAOYSA-N 0 0 271.763 3.711 20 10 CHCDRN Cc1nocc1CN1CCCc2cc(OC(F)F)ccc21 ZINC000816569719 1131112277 /nfs/dbraw/zinc/11/22/77/1131112277.db2.gz UMSIZMOVRWKZAL-UHFFFAOYSA-N 0 0 294.301 3.537 20 10 CHCDRN C[C@H](CCC1CC1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816570622 1131113403 /nfs/dbraw/zinc/11/34/03/1131113403.db2.gz AGRUPQKQVSTZOA-SECBINFHSA-N 0 0 271.763 3.853 20 10 CHCDRN Oc1c(CN[C@@H]2CCCC2(F)F)ccc2ccccc21 ZINC000816612224 1131116230 /nfs/dbraw/zinc/11/62/30/1131116230.db2.gz JPNUNHGTWHMNIY-CQSZACIVSA-N 0 0 277.314 3.823 20 10 CHCDRN C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC001237621334 1131118961 /nfs/dbraw/zinc/11/89/61/1131118961.db2.gz YTQQPGJDBRAWDP-VHSXEESVSA-N 0 0 271.763 3.805 20 10 CHCDRN CC1(C)Cc2ccccc2N(C(=O)/C=C\c2cccnc2)C1 ZINC000816903086 1131131938 /nfs/dbraw/zinc/13/19/38/1131131938.db2.gz SBVYWHMYPQURKL-KTKRTIGZSA-N 0 0 292.382 3.710 20 10 CHCDRN CC(C)[NH+](Cc1cc(F)cc(Cl)c1[O-])C(C)C ZINC001237809541 1131143069 /nfs/dbraw/zinc/14/30/69/1131143069.db2.gz HXCXPVZAIPABBP-UHFFFAOYSA-N 0 0 259.752 3.804 20 10 CHCDRN C[C@@H]1c2cccn2CCN1Cc1cc(F)c(Cl)cc1O ZINC001237949979 1131155632 /nfs/dbraw/zinc/15/56/32/1131155632.db2.gz PSUJRZJDOHDAHN-SNVBAGLBSA-N 0 0 294.757 3.563 20 10 CHCDRN Cc1cc(F)cc(C[N@H+](C)CC2CCCCC2)c1O ZINC001238066067 1131166711 /nfs/dbraw/zinc/16/67/11/1131166711.db2.gz DVAGHXYAPXFVJZ-UHFFFAOYSA-N 0 0 265.372 3.852 20 10 CHCDRN C=C/C=C/CC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC001135946351 1131170760 /nfs/dbraw/zinc/17/07/60/1131170760.db2.gz PELFQUYHJROIQI-CMDGGOBGSA-N 0 0 286.419 3.624 20 10 CHCDRN Cc1cc(C[NH2+][C@@H](C)c2ccc(N(C)C)cc2)cc(C)n1 ZINC000817589527 1131173897 /nfs/dbraw/zinc/17/38/97/1131173897.db2.gz ODGAALNKVRDCLT-HNNXBMFYSA-N 0 0 283.419 3.615 20 10 CHCDRN Cc1cc(-c2nnc(C3CCC3)o2)c(C)n1-c1ccccn1 ZINC001117233516 1131180978 /nfs/dbraw/zinc/18/09/78/1131180978.db2.gz SILRDMDPAUFETR-UHFFFAOYSA-N 0 0 294.358 3.807 20 10 CHCDRN C[C@H]1CC[C@@H](CC(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001117507200 1131187380 /nfs/dbraw/zinc/18/73/80/1131187380.db2.gz CZYJIUXQJYYNQH-DTWKUNHWSA-N 0 0 293.754 3.641 20 10 CHCDRN CC[C@H]([NH2+][C@H](CN)C1CCCC1)c1cccc(Cl)c1[O-] ZINC000817982220 1131194913 /nfs/dbraw/zinc/19/49/13/1131194913.db2.gz POQCJPWVQCGJFI-LSDHHAIUSA-N 0 0 296.842 3.604 20 10 CHCDRN CC1(C)CCCC[C@@H]1CC(=O)NCCc1ccc(N)cc1 ZINC000818545047 1131215880 /nfs/dbraw/zinc/21/58/80/1131215880.db2.gz CMAAUHUJBTXFDV-OAHLLOKOSA-N 0 0 288.435 3.534 20 10 CHCDRN FC1(F)CCCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001118239602 1131216057 /nfs/dbraw/zinc/21/60/57/1131216057.db2.gz GRHLPACKFBGJHA-UHFFFAOYSA-N 0 0 280.362 3.518 20 10 CHCDRN CC(C)(CCC(=O)Nc1ccc(N)cc1)c1ccccc1 ZINC000818556530 1131216877 /nfs/dbraw/zinc/21/68/77/1131216877.db2.gz YTMANRSEYRIMKS-UHFFFAOYSA-N 0 0 282.387 3.965 20 10 CHCDRN CC1(C)CCC(CC(=O)Nc2ccc(N)cc2)CC1 ZINC000818556522 1131216931 /nfs/dbraw/zinc/21/69/31/1131216931.db2.gz YLZPZESJMSPBHH-UHFFFAOYSA-N 0 0 260.381 3.814 20 10 CHCDRN [O-]c1cccc(F)c1C[NH+]1CCC(c2ccccc2)CC1 ZINC001137833183 1131420207 /nfs/dbraw/zinc/42/02/07/1131420207.db2.gz WIKZWTNWKDATES-UHFFFAOYSA-N 0 0 285.362 3.911 20 10 CHCDRN [O-]c1cccc(F)c1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001137837850 1131421252 /nfs/dbraw/zinc/42/12/52/1131421252.db2.gz XEBVEEWETNCGSD-INIZCTEOSA-N 0 0 286.350 3.654 20 10 CHCDRN CCCC[NH+](CCCC)Cc1c([O-])cccc1F ZINC001137837497 1131421567 /nfs/dbraw/zinc/42/15/67/1131421567.db2.gz JIZBWLPBALIQLU-UHFFFAOYSA-N 0 0 253.361 3.934 20 10 CHCDRN C[C@H]1CCC[C@@]1(C)C(=O)NCCCSc1nccs1 ZINC000823298437 1131423058 /nfs/dbraw/zinc/42/30/58/1131423058.db2.gz RPBSNKAFHFJHCK-SMDDNHRTSA-N 0 0 298.477 3.568 20 10 CHCDRN Cc1cc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(C)n1-c1ccccc1 ZINC001137856213 1131424486 /nfs/dbraw/zinc/42/44/86/1131424486.db2.gz URCMJZQYAAXHCE-YTQUADARSA-N 0 0 298.405 3.884 20 10 CHCDRN Cc1cc(CN(C)CC(F)F)c(C)n1-c1ccccc1 ZINC001137859209 1131424891 /nfs/dbraw/zinc/42/48/91/1131424891.db2.gz NVPKDVURUNFPJK-UHFFFAOYSA-N 0 0 278.346 3.791 20 10 CHCDRN COC(=O)c1cnc(S[C@@H]2CCc3ccccc32)s1 ZINC000829677860 1131428683 /nfs/dbraw/zinc/42/86/83/1131428683.db2.gz OYOCUHSAOLXBBU-LLVKDONJSA-N 0 0 291.397 3.709 20 10 CHCDRN C[C@H](NC(=O)[C@]1(C)CCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000829816638 1131435066 /nfs/dbraw/zinc/43/50/66/1131435066.db2.gz FJXBTHFUGNMZJK-SUNYJGFJSA-N 0 0 288.435 3.756 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000830140934 1131446577 /nfs/dbraw/zinc/44/65/77/1131446577.db2.gz KTGIMKJIXMAVLZ-BMFZPTHFSA-N 0 0 287.403 3.567 20 10 CHCDRN COc1ccc(O)c([C@H](C)NC(=O)O[C@H](C)CC(C)C)c1 ZINC000830623404 1131462561 /nfs/dbraw/zinc/46/25/61/1131462561.db2.gz OOPDWXPTBJOSBW-NEPJUHHUSA-N 0 0 295.379 3.623 20 10 CHCDRN [O-]c1c(F)cccc1C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001138127705 1131470416 /nfs/dbraw/zinc/47/04/16/1131470416.db2.gz NFWRUEQSZQCCNV-INIZCTEOSA-N 0 0 286.350 3.654 20 10 CHCDRN CC[C@H](NCc1ccc(N2CCCCC2)cc1)C(F)F ZINC000824510767 1131473401 /nfs/dbraw/zinc/47/34/01/1131473401.db2.gz 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297.826 3.903 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc(Cl)cc1[O-] ZINC000841748971 1132389984 /nfs/dbraw/zinc/38/99/84/1132389984.db2.gz MSWPQFFIDPHLDD-ZYHUDNBSSA-N 0 0 251.757 3.805 20 10 CHCDRN C[C@H]([NH2+]C1CCSCC1)c1ccc(Cl)cc1[O-] ZINC000841749751 1132390118 /nfs/dbraw/zinc/39/01/18/1132390118.db2.gz PVMMCGVSCWGSJP-VIFPVBQESA-N 0 0 271.813 3.592 20 10 CHCDRN CSC(C)(C)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841754059 1132391197 /nfs/dbraw/zinc/39/11/97/1132391197.db2.gz HLRWTXFRZNGWSQ-SECBINFHSA-N 0 0 273.829 3.838 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(Cl)cc1[O-] ZINC000841755380 1132391639 /nfs/dbraw/zinc/39/16/39/1132391639.db2.gz ZHQDWHTZEGGNRM-PWSUYJOCSA-N 0 0 285.840 3.982 20 10 CHCDRN CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841754085 1132392119 /nfs/dbraw/zinc/39/21/19/1132392119.db2.gz HRVGPWAZKKWCBC-CHWSQXEVSA-N 0 0 299.842 3.741 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccc(Cl)cc1[O-] ZINC000841752906 1132392138 /nfs/dbraw/zinc/39/21/38/1132392138.db2.gz VVFLNGAOAWOIDF-VHSXEESVSA-N 0 0 253.773 3.885 20 10 CHCDRN COCCC1(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CCC1 ZINC000841759863 1132394834 /nfs/dbraw/zinc/39/48/34/1132394834.db2.gz QBFFZLKSRHRYBZ-GFCCVEGCSA-N 0 0 297.826 3.903 20 10 CHCDRN C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])CCC[C@@H]1C ZINC001142508943 1132402779 /nfs/dbraw/zinc/40/27/79/1132402779.db2.gz QMRLKQCXAANDQX-QWRGUYRKSA-N 0 0 269.335 3.538 20 10 CHCDRN O=C([C@H](Sc1nccs1)c1ccccc1)C1CC1 ZINC000842548233 1132440166 /nfs/dbraw/zinc/44/01/66/1132440166.db2.gz MLSHANDAXSXWRW-CYBMUJFWSA-N 0 0 275.398 3.956 20 10 CHCDRN C[C@@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])CC(F)F ZINC000842890860 1132475051 /nfs/dbraw/zinc/47/50/51/1132475051.db2.gz UMMADQQGWHEQEB-SFYZADRCSA-N 0 0 279.277 3.612 20 10 CHCDRN CC[C@H](N[C@@H](CC)c1ccccc1O)C(=O)OC(C)(C)C ZINC000842925651 1132476691 /nfs/dbraw/zinc/47/66/91/1132476691.db2.gz KMXLQZMSTKARMQ-KBPBESRZSA-N 0 0 293.407 3.553 20 10 CHCDRN CC1(C)CC[C@@H](c2nc(Cc3ccc(N)cc3)no2)C1 ZINC000843159283 1132499537 /nfs/dbraw/zinc/49/95/37/1132499537.db2.gz ODQFXQCVARXPJO-GFCCVEGCSA-N 0 0 271.364 3.536 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]CC1CCC(F)CC1 ZINC000843433365 1132534340 /nfs/dbraw/zinc/53/43/40/1132534340.db2.gz YHXODNYDEPQBTH-UHFFFAOYSA-N 0 0 289.753 3.803 20 10 CHCDRN Cc1cccc2c1CC[N@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC001233074147 1132570328 /nfs/dbraw/zinc/57/03/28/1132570328.db2.gz ICJHCHBFHHLQAJ-UHFFFAOYSA-N 0 0 289.325 3.537 20 10 CHCDRN O=C(/C=C/C1CCCCCC1)N1Cc2cccc(O)c2C1 ZINC001152573281 1132584679 /nfs/dbraw/zinc/58/46/79/1132584679.db2.gz KZMNBORZWYHZGT-ZHACJKMWSA-N 0 0 285.387 3.761 20 10 CHCDRN [O-]c1ccc(F)c(F)c1C[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001233335221 1132603637 /nfs/dbraw/zinc/60/36/37/1132603637.db2.gz MOHMXUUUICUKNZ-NSHDSACASA-N 0 0 299.336 3.775 20 10 CHCDRN CCCC[N@H+](CCC)Cc1c([O-])ccc(F)c1F ZINC001233334341 1132604770 /nfs/dbraw/zinc/60/47/70/1132604770.db2.gz CCVWILNGHRMPEP-UHFFFAOYSA-N 0 0 257.324 3.683 20 10 CHCDRN Cc1ccc(C(=O)NCC[C@H](C)CC(C)(C)C)c(O)c1O ZINC001154335501 1132613169 /nfs/dbraw/zinc/61/31/69/1132613169.db2.gz GYGMNHGKAFYDFL-NSHDSACASA-N 0 0 293.407 3.598 20 10 CHCDRN [O-]c1c(C[N@@H+]2CCC3(CCC3)C2)cccc1C(F)(F)F ZINC001233418439 1132618275 /nfs/dbraw/zinc/61/82/75/1132618275.db2.gz HBVHRBICWVSDOP-UHFFFAOYSA-N 0 0 285.309 3.787 20 10 CHCDRN [O-]c1c(C[NH+]2CCC(F)(F)CC2)cccc1C(F)(F)F ZINC001233415927 1132618969 /nfs/dbraw/zinc/61/89/69/1132618969.db2.gz OMGPSXXRIFWLHB-UHFFFAOYSA-N 0 0 295.251 3.642 20 10 CHCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H]1CCC[C@@H]1C ZINC001233494259 1132627689 /nfs/dbraw/zinc/62/76/89/1132627689.db2.gz DNZKNXIZDOYWND-ZUZCIYMTSA-N 0 0 278.348 3.648 20 10 CHCDRN CCCC(=O)c1cc(O)c(O)cc1O[C@@H]1CCCC[C@H]1F ZINC001233495646 1132629498 /nfs/dbraw/zinc/62/94/98/1132629498.db2.gz JABMDVYUWLZKHD-IAQYHMDHSA-N 0 0 296.338 3.740 20 10 CHCDRN CCN(Cc1ccccc1O)c1ccc2ncc(F)cc2n1 ZINC001154889405 1132631266 /nfs/dbraw/zinc/63/12/66/1132631266.db2.gz ZFMXEWDKXLIMGK-UHFFFAOYSA-N 0 0 297.333 3.501 20 10 CHCDRN CCN1CCc2cc(O[C@@H](C)c3ccncc3F)ccc21 ZINC001233601594 1132646806 /nfs/dbraw/zinc/64/68/06/1132646806.db2.gz LAJFNIBUIBLYOE-LBPRGKRZSA-N 0 0 286.350 3.743 20 10 CHCDRN O=C(NCc1c(O)cccc1F)c1ccc2ccccc2c1 ZINC001156164027 1132684854 /nfs/dbraw/zinc/68/48/54/1132684854.db2.gz KIQQDULTIHODRZ-UHFFFAOYSA-N 0 0 295.313 3.615 20 10 CHCDRN CCC(C)(C)[C@@H](C)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001206660392 1132685927 /nfs/dbraw/zinc/68/59/27/1132685927.db2.gz CHDLHEIBSVZQAI-SECBINFHSA-N 0 0 257.324 3.585 20 10 CHCDRN CC(C)Oc1cccc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001156921319 1132715236 /nfs/dbraw/zinc/71/52/36/1132715236.db2.gz XPPQGNHTXFILEE-UHFFFAOYSA-N 0 0 299.418 3.571 20 10 CHCDRN Cc1ccc2ccnc(NCc3ccc(O)c(O)c3)c2c1 ZINC001158996135 1132801861 /nfs/dbraw/zinc/80/18/61/1132801861.db2.gz XCAWICDOMOASHI-UHFFFAOYSA-N 0 0 280.327 3.567 20 10 CHCDRN Cc1cc(Nc2ccc(N)cc2)n(-c2ccc(F)cc2)n1 ZINC001159154179 1132812678 /nfs/dbraw/zinc/81/26/78/1132812678.db2.gz WKKNYJNOSXLMSJ-UHFFFAOYSA-N 0 0 282.322 3.646 20 10 CHCDRN Nc1ccc(Nc2cc(-c3cccc(F)c3)no2)cc1 ZINC001159275044 1132823844 /nfs/dbraw/zinc/82/38/44/1132823844.db2.gz YALYEOBMCHKAHQ-UHFFFAOYSA-N 0 0 269.279 3.807 20 10 CHCDRN Nc1ccc(Nc2c(F)ccc(Cl)c2F)cc1 ZINC001159491891 1132855307 /nfs/dbraw/zinc/85/53/07/1132855307.db2.gz PEIKWMQVDWXEMT-UHFFFAOYSA-N 0 0 254.667 3.944 20 10 CHCDRN CCOc1ccc(Nc2ccc(N)cc2)c(F)c1F ZINC001159485578 1132853843 /nfs/dbraw/zinc/85/38/43/1132853843.db2.gz MOASREZZWHHSEF-UHFFFAOYSA-N 0 0 264.275 3.689 20 10 CHCDRN COc1ccc(Nc2ccc(N)cc2)c(Br)c1 ZINC001159492376 1132854751 /nfs/dbraw/zinc/85/47/51/1132854751.db2.gz ZJTCJVIIYKWNKZ-UHFFFAOYSA-N 0 0 293.164 3.784 20 10 CHCDRN Oc1cccc(Nc2cc(F)ccc2C(F)(F)F)c1O ZINC001174486085 1132857882 /nfs/dbraw/zinc/85/78/82/1132857882.db2.gz GSQXBDJFHMFJIX-UHFFFAOYSA-N 0 0 287.212 3.999 20 10 CHCDRN CC(C)OC(=O)c1ccc(Nc2ccc3c(c2)CCN3)cc1 ZINC001159522254 1132858516 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/nfs/dbraw/zinc/94/58/46/1132945846.db2.gz JPSFSWBMSIUNCS-UHFFFAOYSA-N 0 0 279.343 3.564 20 10 CHCDRN COc1cccc(NCc2cc3ccccc3cc2O)n1 ZINC001160207715 1132945866 /nfs/dbraw/zinc/94/58/66/1132945866.db2.gz XDZPBFHIDCIQMW-UHFFFAOYSA-N 0 0 280.327 3.561 20 10 CHCDRN Cc1nnc(Cl)cc1NCc1cc2ccccc2cc1O ZINC001160206542 1132945961 /nfs/dbraw/zinc/94/59/61/1132945961.db2.gz KPGHYGGLJQGATP-UHFFFAOYSA-N 0 0 299.761 3.909 20 10 CHCDRN Nc1ccc(Nc2ccccc2C(=O)C(F)(F)F)cc1 ZINC001160251539 1132951478 /nfs/dbraw/zinc/95/14/78/1132951478.db2.gz YRCCIGBOCBZIER-UHFFFAOYSA-N 0 0 280.249 3.757 20 10 CHCDRN CCCCN(Cc1ccccc1)C(=O)Cc1ccc(N)cc1 ZINC001160428098 1132969787 /nfs/dbraw/zinc/96/97/87/1132969787.db2.gz FMXDUABXVCSPKX-UHFFFAOYSA-N 0 0 296.414 3.640 20 10 CHCDRN C=Cc1ccc(NCc2c(C)cc(C)cc2O)nc1 ZINC001160809893 1132982646 /nfs/dbraw/zinc/98/26/46/1132982646.db2.gz CEWQTPPJDMSACO-UHFFFAOYSA-N 0 0 254.333 3.659 20 10 CHCDRN Cc1cc(C)c(CNc2nc(Cl)cnc2Cl)c(O)c1 ZINC001160810568 1132983361 /nfs/dbraw/zinc/98/33/61/1132983361.db2.gz SOQQLEDWGRXOOX-UHFFFAOYSA-N 0 0 298.173 3.718 20 10 CHCDRN Cc1nc2cc(N(C)c3ccc(N)cc3)ccc2s1 ZINC001213039131 1133063115 /nfs/dbraw/zinc/06/31/15/1133063115.db2.gz MLVIMUAPPIJBGQ-UHFFFAOYSA-N 0 0 269.373 3.955 20 10 CHCDRN Cc1ccc2c(c1)nc(Cl)nc2NCc1ccc(N)cc1 ZINC001162785891 1133112519 /nfs/dbraw/zinc/11/25/19/1133112519.db2.gz NRAJIAQZZHIJAC-UHFFFAOYSA-N 0 0 298.777 3.786 20 10 CHCDRN COc1ccc2nc(NCc3ccc(N)cc3)c(C)cc2c1 ZINC001162784923 1133112576 /nfs/dbraw/zinc/11/25/76/1133112576.db2.gz ZRSGMNXFXDWYBV-UHFFFAOYSA-N 0 0 293.370 3.746 20 10 CHCDRN CSc1ccnc(Cl)c1NCc1ccc(N)cc1 ZINC001162785861 1133112750 /nfs/dbraw/zinc/11/27/50/1133112750.db2.gz MNAPURQNEAUILJ-UHFFFAOYSA-N 0 0 279.796 3.651 20 10 CHCDRN CNc1ccccc1NCCSCc1ccco1 ZINC001164227421 1133208812 /nfs/dbraw/zinc/20/88/12/1133208812.db2.gz IVMSTMLNDVRAMJ-UHFFFAOYSA-N 0 0 262.378 3.667 20 10 CHCDRN CCC(C)(C)CCOc1ccc(N(C)C)c(C(=O)OC)c1 ZINC001166714023 1133283727 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ZINC000816551756 1134043037 /nfs/dbraw/zinc/04/30/37/1134043037.db2.gz NVRQIOBVIBISAE-SECBINFHSA-N 0 0 271.763 3.853 20 10 CHCDRN Cc1ccc(Nc2ccc3c(c2)OCCN3)cc1C ZINC001209728554 1134055290 /nfs/dbraw/zinc/05/52/90/1134055290.db2.gz RAKKDTWFONHSJA-UHFFFAOYSA-N 0 0 254.333 3.851 20 10 CHCDRN COc1ccc(Nc2ccc3c(c2)OCCN3)cc1Cl ZINC001209766788 1134061999 /nfs/dbraw/zinc/06/19/99/1134061999.db2.gz WLVSCYZCYQQOEN-UHFFFAOYSA-N 0 0 290.750 3.897 20 10 CHCDRN CCOc1cccc(Nc2ccc3c(c2)OCCN3)c1 ZINC001209768225 1134062754 /nfs/dbraw/zinc/06/27/54/1134062754.db2.gz VJZWMSHMIBHFKO-UHFFFAOYSA-N 0 0 270.332 3.633 20 10 CHCDRN CC(C)Oc1ccc(Nc2cccc(O)c2O)c(F)c1 ZINC001209837034 1134075322 /nfs/dbraw/zinc/07/53/22/1134075322.db2.gz INYBTTXALRMMKV-UHFFFAOYSA-N 0 0 277.295 3.768 20 10 CHCDRN CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000136818895 1134413638 /nfs/dbraw/zinc/41/36/38/1134413638.db2.gz UTPMLUXQIYZMQH-CMPLNLGQSA-N 0 0 298.224 3.918 20 10 CHCDRN CN(c1ccc(N)cc1)c1ccc(OCC(F)F)cc1 ZINC001213310005 1134440582 /nfs/dbraw/zinc/44/05/82/1134440582.db2.gz YVYRTUZFVKYGLN-UHFFFAOYSA-N 0 0 278.302 3.681 20 10 CHCDRN Cc1cc(CNC(=O)OC2CCC2)c(C)n1-c1ccccc1 ZINC001213352144 1134442947 /nfs/dbraw/zinc/44/29/47/1134442947.db2.gz WSUXCCNZQQYQOH-UHFFFAOYSA-N 0 0 298.386 3.873 20 10 CHCDRN Cc1c(C2CC2)cccc1N(CCO)c1ccc(N)cc1 ZINC001213472930 1134452129 /nfs/dbraw/zinc/45/21/29/1134452129.db2.gz FUEJBXFVFFVCKE-UHFFFAOYSA-N 0 0 282.387 3.585 20 10 CHCDRN CCCOc1cc(F)ccc1Nc1cccc(O)c1O ZINC001214081637 1134509423 /nfs/dbraw/zinc/50/94/23/1134509423.db2.gz IJJLSIRRPFOSIW-UHFFFAOYSA-N 0 0 277.295 3.769 20 10 CHCDRN Nc1ccc(Nc2ccc(OC(F)(F)F)cc2O)cc1 ZINC001214395394 1134534358 /nfs/dbraw/zinc/53/43/58/1134534358.db2.gz GLGVWAUIRBMPGE-UHFFFAOYSA-N 0 0 284.237 3.617 20 10 CHCDRN CCCOc1cc(N(C)c2ccc(N)cc2)c(Cl)cn1 ZINC001214733989 1134567275 /nfs/dbraw/zinc/56/72/75/1134567275.db2.gz IPOWKKPSJZYVLN-UHFFFAOYSA-N 0 0 291.782 3.874 20 10 CHCDRN COc1c(F)cc(N(C)c2ccc(N)cc2)cc1Cl ZINC001214975080 1134590366 /nfs/dbraw/zinc/59/03/66/1134590366.db2.gz RBRSAKRBMKUTGP-UHFFFAOYSA-N 0 0 280.730 3.838 20 10 CHCDRN CSc1cccc(Nc2cccc(O)c2O)c1F ZINC001215869273 1134707961 /nfs/dbraw/zinc/70/79/61/1134707961.db2.gz NPGDIVGTWMZRTP-UHFFFAOYSA-N 0 0 265.309 3.702 20 10 CHCDRN Nc1ccc(Cc2ccccc2NC2=CCCOC2)cc1 ZINC001216509701 1134912327 /nfs/dbraw/zinc/91/23/27/1134912327.db2.gz COZZKRVKEKJOMO-UHFFFAOYSA-N 0 0 280.371 3.576 20 10 CHCDRN Cc1ccc(O[C@@H]2CNC(=O)C2)c(/N=N/c2ccccc2)c1 ZINC001218339202 1135090697 /nfs/dbraw/zinc/09/06/97/1135090697.db2.gz QHIMSCARKYFSSN-YISVQYQQSA-N 0 0 295.342 3.678 20 10 CHCDRN Cc1ccc(COc2ccc(N)cc2)c(OC(C)C)c1 ZINC001218492332 1135116410 /nfs/dbraw/zinc/11/64/10/1135116410.db2.gz ZYKTXPZDNDUMKS-UHFFFAOYSA-N 0 0 271.360 3.943 20 10 CHCDRN COc1ccc(N(C)Cc2cccc3c2NCCC3)cc1 ZINC000314650959 1135146183 /nfs/dbraw/zinc/14/61/83/1135146183.db2.gz VZPUOABWRNEDBI-UHFFFAOYSA-N 0 0 282.387 3.690 20 10 CHCDRN Cc1cc(CNCc2cc(C)n(-c3ccccc3)c2C)on1 ZINC000315140352 1135152376 /nfs/dbraw/zinc/15/23/76/1135152376.db2.gz QSIWQIKDSFBONC-UHFFFAOYSA-N 0 0 295.386 3.680 20 10 CHCDRN O=C1C=CC(=NNc2ccccn2)C(OC2CC2)=C1 ZINC001227489397 1135840044 /nfs/dbraw/zinc/84/00/44/1135840044.db2.gz MIFKFRGQYYIBAS-WUKNDPDISA-N 0 0 255.277 3.744 20 10 CHCDRN C[C@H]([NH2+]C1CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185078951 262040277 /nfs/dbraw/zinc/04/02/77/262040277.db2.gz KPSROYHMBFIMPQ-QMMMGPOBSA-N 0 0 290.190 3.529 20 10 CHCDRN Nc1ccc(Nc2ccccc2Br)cc1 ZINC000008435828 170336361 /nfs/dbraw/zinc/33/63/61/170336361.db2.gz XHGLUVGJZBPVIR-UHFFFAOYSA-N 0 0 263.138 3.775 20 10 CHCDRN COc1ccc(N[C@@H](C)c2ccccc2O)c(OC)c1 ZINC000019903395 170915225 /nfs/dbraw/zinc/91/52/25/170915225.db2.gz GGDIVIBSQWYFBA-NSHDSACASA-N 0 0 273.332 3.583 20 10 CHCDRN Cc1ccc(NCc2ccc(N(C)C)cc2)c(F)c1 ZINC000020372301 171169137 /nfs/dbraw/zinc/16/91/37/171169137.db2.gz CQGLNDQDWVUKLV-UHFFFAOYSA-N 0 0 258.340 3.812 20 10 CHCDRN Nc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000035407654 172178311 /nfs/dbraw/zinc/17/83/11/172178311.db2.gz LVCVGGJWYNNAQB-UHFFFAOYSA-N 0 0 295.264 3.932 20 10 CHCDRN COc1ccccc1N[C@@H](C)c1cc(C)ccc1O ZINC000035628512 172307372 /nfs/dbraw/zinc/30/73/72/172307372.db2.gz VTWXFMYDPKTIII-LBPRGKRZSA-N 0 0 257.333 3.882 20 10 CHCDRN COc1cc(N[C@H](C)c2cc(C)ccc2O)cc(OC)c1 ZINC000035628581 260030640 /nfs/dbraw/zinc/03/06/40/260030640.db2.gz IVOIAOLJMRMFLK-GFCCVEGCSA-N 0 0 287.359 3.891 20 10 CHCDRN CCCCN(Cc1cccc(OC)c1O)CC(F)(F)F ZINC000091951108 260267277 /nfs/dbraw/zinc/26/72/77/260267277.db2.gz WORGOCOBPPQGCW-UHFFFAOYSA-N 0 0 291.313 3.565 20 10 CHCDRN CC(C)CC[C@@H]1CCCCN1C(=O)Cc1ccc(N)cc1 ZINC000236611195 260591833 /nfs/dbraw/zinc/59/18/33/260591833.db2.gz FBFDXHNYJQMDFY-KRWDZBQOSA-N 0 0 288.435 3.629 20 10 CHCDRN Cc1cc(C)cc(CCC(=O)N(C)Cc2ccccc2O)c1 ZINC000155506224 261103136 /nfs/dbraw/zinc/10/31/36/261103136.db2.gz XBBYUUPOAIRURK-UHFFFAOYSA-N 0 0 297.398 3.600 20 10 CHCDRN Cc1cccc(OCCCCC(=O)Nc2ccc(N)cc2)c1 ZINC000160367954 261212586 /nfs/dbraw/zinc/21/25/86/261212586.db2.gz KMZOWYACTNVAQH-UHFFFAOYSA-N 0 0 298.386 3.765 20 10 CHCDRN C[C@@H]([NH2+]CCC[C@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000183981915 262003866 /nfs/dbraw/zinc/00/38/66/262003866.db2.gz HXOQJUXIYSAZJP-TZMCWYRMSA-N 0 0 281.371 3.531 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(C)cn1 ZINC000184254083 262013669 /nfs/dbraw/zinc/01/36/69/262013669.db2.gz BKBWKQPJWLMZLB-UHFFFAOYSA-N 0 0 299.374 3.540 20 10 CHCDRN C[C@@H]([NH2+]C1CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185078967 262039949 /nfs/dbraw/zinc/03/99/49/262039949.db2.gz KPSROYHMBFIMPQ-MRVPVSSYSA-N 0 0 290.190 3.529 20 10 CHCDRN COC[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185149154 262043419 /nfs/dbraw/zinc/04/34/19/262043419.db2.gz UPJLBLPFEBUJEH-BDAKNGLRSA-N 0 0 292.206 3.632 20 10 CHCDRN COCC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185290783 262049081 /nfs/dbraw/zinc/04/90/81/262049081.db2.gz JZRSFVSDLXHNHY-BDAKNGLRSA-N 0 0 292.206 3.775 20 10 CHCDRN CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185389982 262053047 /nfs/dbraw/zinc/05/30/47/262053047.db2.gz MHQIJMWDLDTVLM-ISVAXAHUSA-N 0 0 292.206 3.511 20 10 CHCDRN CC[C@@H]([NH2+]C1CC[NH+](CC(C)C)CC1)c1ccccc1O ZINC000186100822 262080229 /nfs/dbraw/zinc/08/02/29/262080229.db2.gz OOUXEBMOQBYVMV-QGZVFWFLSA-N 0 0 290.451 3.553 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCOC2(CCCC2)C1)c1ccc(F)cc1[O-] ZINC000186129139 262081095 /nfs/dbraw/zinc/08/10/95/262081095.db2.gz UUHSBRYFKFDLMN-GXTWGEPZSA-N 0 0 293.382 3.674 20 10 CHCDRN COc1cc(C)cc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000186156189 262081961 /nfs/dbraw/zinc/08/19/61/262081961.db2.gz VPGRKLAADQVIIB-GFCCVEGCSA-N 0 0 289.350 3.699 20 10 CHCDRN COC[C@@H]([NH2+][C@H](C)c1ccc2ccccc2c1O)C1CC1 ZINC000186153778 262312250 /nfs/dbraw/zinc/31/22/50/262312250.db2.gz QCDYXXGRXGGINU-SJKOYZFVSA-N 0 0 285.387 3.621 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)c1cccc(Cl)c1[O-] ZINC000290051064 263114360 /nfs/dbraw/zinc/11/43/60/263114360.db2.gz FBLVRJXZFDASCV-BREBYQMCSA-N 0 0 271.788 3.510 20 10 CHCDRN C[C@H](Cc1ccc(O)cc1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185351627 327838266 /nfs/dbraw/zinc/83/82/66/327838266.db2.gz USSFMZHWPPYQME-NEPJUHHUSA-N 0 0 289.350 3.519 20 10 CHCDRN Cc1cc(C)c([C@H](C)[NH2+]Cc2ccc(Cl)cn2)c(O)c1 ZINC000285258831 328247574 /nfs/dbraw/zinc/24/75/74/328247574.db2.gz QGGUBHRFITZPRH-LBPRGKRZSA-N 0 0 290.794 3.908 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)C1CCOCC1)c1cccc(Cl)c1[O-] ZINC000287863349 328252073 /nfs/dbraw/zinc/25/20/73/328252073.db2.gz XNTOUOWKUYBKMQ-ABAIWWIYSA-N 0 0 297.826 3.901 20 10 CHCDRN CCc1csc(NCc2c(C)c3ccccc3n2C)n1 ZINC000557676749 327020452 /nfs/dbraw/zinc/02/04/52/327020452.db2.gz ZUUOJRDGGNHMOK-UHFFFAOYSA-N 0 0 285.416 3.540 20 10 CHCDRN C[C@@H]1CC[C@@H](c2noc(-c3ccc(-n4cccc4)cc3)n2)O1 ZINC000528237273 330316885 /nfs/dbraw/zinc/31/68/85/330316885.db2.gz FIKFNRBQMHQKBJ-DOMZBBRYSA-N 0 0 295.342 3.767 20 10 CHCDRN Nc1ccc(Cc2nc(C3CCCC3)cs2)cc1 ZINC000088870869 330379451 /nfs/dbraw/zinc/37/94/51/330379451.db2.gz VQHZXKRKKNLTPU-UHFFFAOYSA-N 0 0 258.390 3.974 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC000471238523 331504527 /nfs/dbraw/zinc/50/45/27/331504527.db2.gz UFOAJXXPHUFFHN-CQSZACIVSA-N 0 0 298.430 3.929 20 10 CHCDRN Cc1ccncc1/C=C/C(=O)N(C)c1ccc2cc[nH]c2c1 ZINC000491983628 332378194 /nfs/dbraw/zinc/37/81/94/332378194.db2.gz MOSKBZODBWVMPO-GQCTYLIASA-N 0 0 291.354 3.548 20 10 CHCDRN Oc1ccc(F)cc1CNc1cccc(-c2cnco2)c1 ZINC000226561195 333264674 /nfs/dbraw/zinc/26/46/74/333264674.db2.gz MDROWTMCKJTSEX-UHFFFAOYSA-N 0 0 284.290 3.798 20 10 CHCDRN CC[C@H](Nc1cccc(C(=O)N(C)C)c1)c1ccccc1O ZINC000274784410 334783859 /nfs/dbraw/zinc/78/38/59/334783859.db2.gz PWJSNRLCLQLDNP-INIZCTEOSA-N 0 0 298.386 3.657 20 10 CHCDRN CC(C)(C)c1cc(CSc2nccs2)no1 ZINC000278582663 518999036 /nfs/dbraw/zinc/99/90/36/518999036.db2.gz OZIFFZGXAJGXPA-UHFFFAOYSA-N 0 0 254.380 3.721 20 10 CHCDRN CC(C)CCCCCCNC(=O)Cc1ccc(N)cc1 ZINC000040830301 519637706 /nfs/dbraw/zinc/63/77/06/519637706.db2.gz CEITYZLWDAQSRN-UHFFFAOYSA-N 0 0 276.424 3.534 20 10 CHCDRN CC(C)Oc1cccc(NCc2ccccc2O)c1 ZINC000076262571 519783274 /nfs/dbraw/zinc/78/32/74/519783274.db2.gz IXZHPBNWKNFUCI-UHFFFAOYSA-N 0 0 257.333 3.792 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)/C=C(\C)C1CC1 ZINC000282354968 520546969 /nfs/dbraw/zinc/54/69/69/520546969.db2.gz AUXQDSJYSFSTHW-WYMLVPIESA-N 0 0 287.403 3.877 20 10 CHCDRN CCC[C@H](C(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000080130045 520969575 /nfs/dbraw/zinc/96/95/75/520969575.db2.gz AYPPAAMENTWOLD-KRWDZBQOSA-N 0 0 297.398 3.935 20 10 CHCDRN CC[N@H+](Cc1cccc(Cl)c1[O-])[C@H]1CCOC(C)(C)C1 ZINC000291590877 521342092 /nfs/dbraw/zinc/34/20/92/521342092.db2.gz PTXLQLDEZRUMFD-ZDUSSCGKSA-N 0 0 297.826 3.825 20 10 CHCDRN CCOc1cccc(N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000037780222 521400230 /nfs/dbraw/zinc/40/02/30/521400230.db2.gz AWKWIHKLUUOTDO-GFCCVEGCSA-N 0 0 287.359 3.973 20 10 CHCDRN CCOc1cccc(N[C@H]2CCc3cccc(O)c32)c1 ZINC000296692517 521401117 /nfs/dbraw/zinc/40/11/17/521401117.db2.gz HFBUKDCNDMHPCM-HNNXBMFYSA-N 0 0 269.344 3.890 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)CCc1ccccc1 ZINC000299600571 521687848 /nfs/dbraw/zinc/68/78/48/521687848.db2.gz GDZSKVHKKVUMSI-UHFFFAOYSA-N 0 0 297.398 3.764 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@@H]1C ZINC000066704001 521688661 /nfs/dbraw/zinc/68/86/61/521688661.db2.gz QSLYTJDEQHRJAL-DZGCQCFKSA-N 0 0 290.407 3.502 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccsc1 ZINC000268111357 521688704 /nfs/dbraw/zinc/68/87/04/521688704.db2.gz FBAJFARYLNUYKW-UHFFFAOYSA-N 0 0 290.388 3.898 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(Cl)o1 ZINC000263992700 521689836 /nfs/dbraw/zinc/68/98/36/521689836.db2.gz DLKBMMFXAIAYAB-UHFFFAOYSA-N 0 0 293.750 3.691 20 10 CHCDRN CC[C@H](CC(=O)N(C)Cc1ccccc1O)c1ccccc1 ZINC000103520594 522088329 /nfs/dbraw/zinc/08/83/29/522088329.db2.gz FLHYERLPCDPRPP-OAHLLOKOSA-N 0 0 297.398 3.935 20 10 CHCDRN CN(C)c1ccc(CN[C@H](c2ccccc2)C(F)F)cc1 ZINC000292833361 522212925 /nfs/dbraw/zinc/21/29/25/522212925.db2.gz UIMUNZODGNOYFK-MRXNPFEDSA-N 0 0 290.357 3.849 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H](OC)C1CC1)c1cccc(Cl)c1[O-] ZINC000293573915 522612163 /nfs/dbraw/zinc/61/21/63/522612163.db2.gz BNCJBZMRIROFAZ-UONOGXRCSA-N 0 0 283.799 3.511 20 10 CHCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(C)(C)C ZINC000052396796 523262413 /nfs/dbraw/zinc/26/24/13/523262413.db2.gz KEPZRDDOCIAMKS-UHFFFAOYSA-N 0 0 288.435 3.681 20 10 CHCDRN CC[C@](C)(NCc1ccc(OC)c(C)c1)c1nccs1 ZINC000265821830 523488194 /nfs/dbraw/zinc/48/81/94/523488194.db2.gz YDEQWUAAXDDHDH-INIZCTEOSA-N 0 0 290.432 3.875 20 10 CHCDRN CC[C@@](C)(NCc1ccc(OC)c(C)c1)c1nccs1 ZINC000265821831 523658216 /nfs/dbraw/zinc/65/82/16/523658216.db2.gz YDEQWUAAXDDHDH-MRXNPFEDSA-N 0 0 290.432 3.875 20 10 CHCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(C)nc2C)c1 ZINC000094664244 524766139 /nfs/dbraw/zinc/76/61/39/524766139.db2.gz JMGBKXPTKPHDPY-LLVKDONJSA-N 0 0 272.348 3.586 20 10 CHCDRN Cc1ccc(F)cc1C(=O)Nc1cccc(N2CCCC2)c1 ZINC000298871472 524848032 /nfs/dbraw/zinc/84/80/32/524848032.db2.gz UVWDWOCIKNSISZ-UHFFFAOYSA-N 0 0 298.361 3.987 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCc2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273421984 525581443 /nfs/dbraw/zinc/58/14/43/525581443.db2.gz SILCUWSNOGHMMS-MEDUHNTESA-N 0 0 298.342 3.639 20 10 CHCDRN C[C@@H](Nc1ccc(N2CCCC2)nc1)c1ccccc1O ZINC000036982251 525707348 /nfs/dbraw/zinc/70/73/48/525707348.db2.gz ZLSZNBSLHYSOFW-CYBMUJFWSA-N 0 0 283.375 3.561 20 10 CHCDRN Cc1ccsc1C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000094875172 525863070 /nfs/dbraw/zinc/86/30/70/525863070.db2.gz FMKDOGQLEVXKDV-SNVBAGLBSA-N 0 0 265.353 3.752 20 10 CHCDRN COc1cccc(N[C@H](C)c2ccc(F)cc2O)c1 ZINC000062744943 526211016 /nfs/dbraw/zinc/21/10/16/526211016.db2.gz ZGHBPIYVAHRLJA-SNVBAGLBSA-N 0 0 261.296 3.713 20 10 CHCDRN CC(C)c1ccc([C@H](C)NC(=O)Cc2ccc(N)cc2)cc1 ZINC000192772524 528139655 /nfs/dbraw/zinc/13/96/55/528139655.db2.gz PWFTXCCCWYTXKY-AWEZNQCLSA-N 0 0 296.414 3.812 20 10 CHCDRN C[C@H](c1ccccc1F)[N@H+](C)Cc1ccccc1O ZINC000111235037 1125481105 /nfs/dbraw/zinc/48/11/05/1125481105.db2.gz FJQLSAFJVPGHCR-GFCCVEGCSA-N 0 0 259.324 3.724 20 10 CHCDRN C[C@H]([NH2+][C@H]1CC(C)(C)OC1(C)C)c1ccc(F)cc1[O-] ZINC000186499788 1120241730 /nfs/dbraw/zinc/24/17/30/1120241730.db2.gz NSSAOMDIZMQTOJ-HZMBPMFUSA-N 0 0 281.371 3.528 20 10 CHCDRN C[C@@H]([NH2+][C@@H](C)c1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001593198294 994170435 /nfs/dbraw/zinc/17/04/35/994170435.db2.gz PVAOXUFTWKHALJ-NWDGAFQWSA-N 0 0 285.343 3.502 20 10 CHCDRN CC[N@H+](Cc1cccc(Cl)c1[O-])[C@@H](C)C(C)C ZINC000706647483 1121434927 /nfs/dbraw/zinc/43/49/27/1121434927.db2.gz WRWSFKGACBTHFI-NSHDSACASA-N 0 0 255.789 3.912 20 10 CHCDRN CCOc1ccc(N(CC)C[C@H](OCC)C2CC2)cc1 ZINC001167982240 1122898629 /nfs/dbraw/zinc/89/86/29/1122898629.db2.gz ARFMJRWRFQONFI-KRWDZBQOSA-N 0 0 277.408 3.727 20 10 CHCDRN CCOc1ccc(CSc2ncc(Cl)s2)nc1 ZINC000850000523 1123236625 /nfs/dbraw/zinc/23/66/25/1123236625.db2.gz YAHAGLTZKORISU-UHFFFAOYSA-N 0 0 286.809 3.883 20 10 CHCDRN CSCCCN(C)c1ccc(-c2nccs2)cc1 ZINC000846747905 1131728159 /nfs/dbraw/zinc/72/81/59/1131728159.db2.gz YGJNVSCPYBDHQQ-UHFFFAOYSA-N 0 0 278.446 3.999 20 10 CHCDRN CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(CF)C2)c(Cl)c1 ZINC001140922549 1131962998 /nfs/dbraw/zinc/96/29/98/1131962998.db2.gz UJIAKWBYNDTIRJ-HNNXBMFYSA-N 0 0 284.806 3.588 20 10 CHCDRN COC1(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CCC1 ZINC000841753363 1132392590 /nfs/dbraw/zinc/39/25/90/1132392590.db2.gz HGSBVAZASMRWQN-NSHDSACASA-N 0 0 283.799 3.655 20 10 CHCDRN CC1(F)CC[NH+](Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233415678 1132618768 /nfs/dbraw/zinc/61/87/68/1132618768.db2.gz FMVQTTYEQIGAOB-UHFFFAOYSA-N 0 0 291.288 3.735 20 10 CHCDRN Nc1ccc(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)cc1 ZINC000238086615 1125567213 /nfs/dbraw/zinc/56/72/13/1125567213.db2.gz NBZLXPLLMWHDLJ-MJGOQNOKSA-N 0 0 292.382 3.502 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc(Cl)cc1[O-] ZINC000841755025 1125592973 /nfs/dbraw/zinc/59/29/73/1125592973.db2.gz FUUAJEIRJDTLRK-KKZNHRDASA-N 0 0 271.813 3.590 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCCSC1 ZINC000135695230 1125595826 /nfs/dbraw/zinc/59/58/26/1125595826.db2.gz VYECMTNBPFHQIG-JTQLQIEISA-N 0 0 292.231 3.684 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCCSC1 ZINC000135695200 1125595983 /nfs/dbraw/zinc/59/59/83/1125595983.db2.gz VYECMTNBPFHQIG-SNVBAGLBSA-N 0 0 292.231 3.684 20 10 CHCDRN COc1ccc(N(CCCF)Cc2ccco2)cc1F ZINC000137590391 1125666837 /nfs/dbraw/zinc/66/68/37/1125666837.db2.gz OGUFNZSUCLTBRR-UHFFFAOYSA-N 0 0 281.302 3.794 20 10 CHCDRN Cc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)s1 ZINC000886505216 1125681191 /nfs/dbraw/zinc/68/11/91/1125681191.db2.gz QJECUMQPOQRSBG-JTQLQIEISA-N 0 0 265.353 3.752 20 10 CHCDRN COCc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886497059 1125681418 /nfs/dbraw/zinc/68/14/18/1125681418.db2.gz QFUWZLIJTHWMRL-GFCCVEGCSA-N 0 0 289.350 3.529 20 10 CHCDRN COCc1ccccc1C[NH2+][C@H](C)c1c([O-])cccc1F ZINC000886497135 1125681894 /nfs/dbraw/zinc/68/18/94/1125681894.db2.gz UGIDUIRADAGKOA-GFCCVEGCSA-N 0 0 289.350 3.529 20 10 CHCDRN CCOc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886512869 1125683080 /nfs/dbraw/zinc/68/30/80/1125683080.db2.gz ORXXLIBUAJSGJP-LBPRGKRZSA-N 0 0 289.350 3.781 20 10 CHCDRN COc1ccc(O)c(CNc2ccc(C)c3ncccc23)c1 ZINC000237362929 1125687096 /nfs/dbraw/zinc/68/70/96/1125687096.db2.gz DXTKJLSAKXZVHB-UHFFFAOYSA-N 0 0 294.354 3.870 20 10 CHCDRN COc1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c(C)c1 ZINC000886551777 1125689866 /nfs/dbraw/zinc/68/98/66/1125689866.db2.gz OHAQPDBMDCAUDB-LBPRGKRZSA-N 0 0 289.350 3.699 20 10 CHCDRN CC(C)Cn1cc(N[C@H](C)c2c(O)cccc2F)cn1 ZINC000886578295 1125692853 /nfs/dbraw/zinc/69/28/53/1125692853.db2.gz QYPKHSPVTGYHFM-LLVKDONJSA-N 0 0 277.343 3.557 20 10 CHCDRN COCc1ccc(N[C@H](C)c2c(O)cccc2F)cc1 ZINC000886600852 1125695429 /nfs/dbraw/zinc/69/54/29/1125695429.db2.gz CXYFCLLVFRONAT-LLVKDONJSA-N 0 0 275.323 3.851 20 10 CHCDRN COCc1ccc(N[C@@H](C)c2c(O)cccc2F)cc1 ZINC000886600853 1125695620 /nfs/dbraw/zinc/69/56/20/1125695620.db2.gz CXYFCLLVFRONAT-NSHDSACASA-N 0 0 275.323 3.851 20 10 CHCDRN Cc1csc(C[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886618909 1125699670 /nfs/dbraw/zinc/69/96/70/1125699670.db2.gz OAYCOKISZHUOEN-SNVBAGLBSA-N 0 0 265.353 3.752 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1CCC2(CCCC2)O1)c1c([O-])cccc1F ZINC000886634538 1125701378 /nfs/dbraw/zinc/70/13/78/1125701378.db2.gz GRSMLNJPAWNUGN-QWHCGFSZSA-N 0 0 293.382 3.674 20 10 CHCDRN C[C@H]([NH2+]C1([C@H]2CCCCO2)CCC1)c1c([O-])cccc1F ZINC000886648127 1125702402 /nfs/dbraw/zinc/70/24/02/1125702402.db2.gz MEKYAXZOPHSDTD-SWLSCSKDSA-N 0 0 293.382 3.674 20 10 CHCDRN C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCCO1)c1c([O-])cccc1F ZINC000886646592 1125702610 /nfs/dbraw/zinc/70/26/10/1125702610.db2.gz NHUOMJUOWFNWKR-UXEPBGEESA-N 0 0 293.382 3.530 20 10 CHCDRN Cc1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)c(Cl)n1 ZINC000886651979 1125704495 /nfs/dbraw/zinc/70/44/95/1125704495.db2.gz WKACAHQKBZJOKI-SNVBAGLBSA-N 0 0 294.757 3.739 20 10 CHCDRN C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)CO1)c1ccc(F)cc1[O-] ZINC000886731125 1125713956 /nfs/dbraw/zinc/71/39/56/1125713956.db2.gz VSJFDMYTVHZVPX-TZMCWYRMSA-N 0 0 293.382 3.531 20 10 CHCDRN Cc1ccc([C@@H](C)Nc2cccc(CCCO)c2)c(O)c1 ZINC000139002166 1125719993 /nfs/dbraw/zinc/71/99/93/1125719993.db2.gz MCISJXBYXMWVIN-CQSZACIVSA-N 0 0 285.387 3.799 20 10 CHCDRN C[C@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000768526067 1129859617 /nfs/dbraw/zinc/85/96/17/1129859617.db2.gz JDRPZCDJECBDEH-ZCFIWIBFSA-N 0 0 285.668 3.615 20 10 CHCDRN COc1ccc(N(CC[C@H]2CCCO2)[C@@H](C)C2CC2)cc1 ZINC000787265355 1130143928 /nfs/dbraw/zinc/14/39/28/1130143928.db2.gz UVSIRJUHKZMILN-KBXCAEBGSA-N 0 0 289.419 3.869 20 10 CHCDRN C[C@@]1([NH2+]Cc2cccc(Cl)c2[O-])CC=CCC1 ZINC000398282349 1130215868 /nfs/dbraw/zinc/21/58/68/1130215868.db2.gz WVCLALZYZFNGTE-CQSZACIVSA-N 0 0 251.757 3.634 20 10 CHCDRN CC(C)(NCc1ccc(N2CCCCC2)cc1)C(F)F ZINC000793254020 1130536862 /nfs/dbraw/zinc/53/68/62/1130536862.db2.gz HEPVENIMOFQHPY-UHFFFAOYSA-N 0 0 282.378 3.810 20 10 CHCDRN Cc1cc(C)c(Cc2nc(Cc3ccc(N)cc3)no2)s1 ZINC000904077650 1126826471 /nfs/dbraw/zinc/82/64/71/1126826471.db2.gz ZFKCXWHNKXBOAB-UHFFFAOYSA-N 0 0 299.399 3.512 20 10 CHCDRN C[C@@H](c1ccco1)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000179682780 1126832175 /nfs/dbraw/zinc/83/21/75/1126832175.db2.gz SQAPYFVGHKTKOY-JTQLQIEISA-N 0 0 265.740 3.832 20 10 CHCDRN C[C@@H](C[N@H+](C)Cc1cccc(Cl)c1[O-])c1nccs1 ZINC000183252663 1126884167 /nfs/dbraw/zinc/88/41/67/1126884167.db2.gz UULWOYIJWNKPLK-JTQLQIEISA-N 0 0 296.823 3.738 20 10 CHCDRN C[C@@H](c1cccnc1)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000183729066 1126891995 /nfs/dbraw/zinc/89/19/95/1126891995.db2.gz VFFRRASEFHKEEU-NSHDSACASA-N 0 0 276.767 3.634 20 10 CHCDRN C[C@H]([NH2+][C@@H]1CCCc2occc21)c1ccc(F)c(F)c1[O-] ZINC000191200291 1126949403 /nfs/dbraw/zinc/94/94/03/1126949403.db2.gz WERQAOUAVYIBCC-TVQRCGJNSA-N 0 0 293.313 3.992 20 10 CHCDRN CC(C)Oc1ccc(N(C)Cc2nccn2C(F)F)cc1 ZINC000191584734 1126953701 /nfs/dbraw/zinc/95/37/01/1126953701.db2.gz IJMVHMSXLHPEGM-UHFFFAOYSA-N 0 0 295.333 3.702 20 10 CHCDRN CCC(CC)n1ccc(CN(C)Cc2ccccc2O)n1 ZINC000269637263 1127043667 /nfs/dbraw/zinc/04/36/67/1127043667.db2.gz NEEQGWKJDQYMNY-UHFFFAOYSA-N 0 0 287.407 3.582 20 10 CHCDRN c1nc(COc2ccc(N3CCCC3)cc2)oc1C1CC1 ZINC000270444203 1127055887 /nfs/dbraw/zinc/05/58/87/1127055887.db2.gz KXNUCHYXRXFCAH-UHFFFAOYSA-N 0 0 284.359 3.731 20 10 CHCDRN COc1ccc2c(c1)CCCCN2Cc1nc(C)c(C)o1 ZINC000270844487 1127062287 /nfs/dbraw/zinc/06/22/87/1127062287.db2.gz GPHUVKATKBYJQS-UHFFFAOYSA-N 0 0 286.375 3.643 20 10 CHCDRN CCCCC[C@@](C)(CC)C(=O)NCc1ccc(O)cc1O ZINC000910947258 1127075574 /nfs/dbraw/zinc/07/55/74/1127075574.db2.gz AOLRUCVMOJLFFE-QGZVFWFLSA-N 0 0 293.407 3.711 20 10 CHCDRN CCN(C(=O)c1cccc2c1CCN2)c1ccccc1C ZINC000911946064 1127089410 /nfs/dbraw/zinc/08/94/10/1127089410.db2.gz BKHWVWCXWLXLSW-UHFFFAOYSA-N 0 0 280.371 3.630 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC000843820285 1127108246 /nfs/dbraw/zinc/10/82/46/1127108246.db2.gz QIVJOFIGGMJHNS-JKSUJKDBSA-N 0 0 287.403 3.567 20 10 CHCDRN Oc1ccc(F)c(Cl)c1C[N@H+](CC1CC1)C1CC1 ZINC001237131162 1131054174 /nfs/dbraw/zinc/05/41/74/1131054174.db2.gz ULGWNWUSCGRBMN-UHFFFAOYSA-N 0 0 269.747 3.559 20 10 CHCDRN Cc1ncc(Nc2ccccc2C(=O)c2ccncc2)s1 ZINC001212144395 1127147683 /nfs/dbraw/zinc/14/76/83/1127147683.db2.gz RVABMTRWWMQBCB-UHFFFAOYSA-N 0 0 295.367 3.821 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH+]1CCCCCC1 ZINC000816480799 1131099100 /nfs/dbraw/zinc/09/91/00/1131099100.db2.gz XMOILIMWBDNLIY-UHFFFAOYSA-N 0 0 257.736 3.561 20 10 CHCDRN Cc1cc(Cl)cc(C[NH+]2CC3(C2)CC(F)(F)C3)c1O ZINC001237680370 1131127254 /nfs/dbraw/zinc/12/72/54/1131127254.db2.gz AIEWGVCGHQJVNE-UHFFFAOYSA-N 0 0 287.737 3.585 20 10 CHCDRN CC[C@@H]([NH2+]Cc1cccc(OC)c1)c1ccc(F)cc1[O-] ZINC000285532788 1127236040 /nfs/dbraw/zinc/23/60/40/1127236040.db2.gz FOZOLTYJTVIHKK-MRXNPFEDSA-N 0 0 289.350 3.781 20 10 CHCDRN CC[C@@H]([NH2+]Cc1sc(C)nc1C)c1ccc(F)cc1[O-] ZINC000285975242 1127250268 /nfs/dbraw/zinc/25/02/68/1127250268.db2.gz HJMLHFNHPTZAMK-CYBMUJFWSA-N 0 0 294.395 3.846 20 10 CHCDRN CC[C@@H]([NH2+]CC1(CC)CCOCC1)c1ccc(F)cc1[O-] ZINC000286161806 1127261332 /nfs/dbraw/zinc/26/13/32/1127261332.db2.gz PWJFRMSKBGUMBG-OAHLLOKOSA-N 0 0 295.398 3.779 20 10 CHCDRN CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1ccc(F)cc1[O-] ZINC000286202302 1127262530 /nfs/dbraw/zinc/26/25/30/1127262530.db2.gz RKKXCYLQEOIEMH-PJODQICGSA-N 0 0 281.371 3.530 20 10 CHCDRN CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CCO1 ZINC000817586306 1131174509 /nfs/dbraw/zinc/17/45/09/1131174509.db2.gz NYRBNQRRXMZZQU-KGYLQXTDSA-N 0 0 283.799 3.654 20 10 CHCDRN CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cccc(Cl)c1[O-] ZINC000287201972 1127296429 /nfs/dbraw/zinc/29/64/29/1127296429.db2.gz WJLWNGDNUYFXGG-XUJVJEKNSA-N 0 0 297.826 3.759 20 10 CHCDRN Cc1ccc([C@H](C)N[C@H](C)C(F)(F)F)c(O)c1C ZINC000287363140 1127302274 /nfs/dbraw/zinc/30/22/74/1127302274.db2.gz OEUQULSACYJQIY-VHSXEESVSA-N 0 0 261.287 3.610 20 10 CHCDRN CN(C)c1ccc(-c2nc(CC3CC3)cs2)cc1 ZINC000780528876 1127310149 /nfs/dbraw/zinc/31/01/49/1127310149.db2.gz WSFBDDAERKIJMR-UHFFFAOYSA-N 0 0 258.390 3.829 20 10 CHCDRN CCOc1ccc(N(C)Cc2ncc(C3CC3)o2)cc1 ZINC000760845891 1127310797 /nfs/dbraw/zinc/31/07/97/1127310797.db2.gz WUPGUQHZWPIOPR-UHFFFAOYSA-N 0 0 272.348 3.587 20 10 CHCDRN CC[C@H]([NH2+]Cc1cnn(CC)c1)c1cccc(Cl)c1[O-] ZINC000287664685 1127312084 /nfs/dbraw/zinc/31/20/84/1127312084.db2.gz LWPJNZMXDUJMFT-AWEZNQCLSA-N 0 0 293.798 3.503 20 10 CHCDRN CCOc1ccc(NCc2cc(F)ccc2O)c(C)c1 ZINC000226580464 1127411583 /nfs/dbraw/zinc/41/15/83/1127411583.db2.gz LUAJYPWWIIOWAL-UHFFFAOYSA-N 0 0 275.323 3.851 20 10 CHCDRN Oc1ccc(F)cc1CNc1ccc([C@H]2CCOC2)cc1 ZINC000293706991 1127514374 /nfs/dbraw/zinc/51/43/74/1127514374.db2.gz SBWKSMNORQCNJA-ZDUSSCGKSA-N 0 0 287.334 3.647 20 10 CHCDRN COc1cc(Cl)cc(CN(C)c2ccccc2)c1O ZINC000228561049 1127567838 /nfs/dbraw/zinc/56/78/38/1127567838.db2.gz GUSBMNLNTIFHRY-UHFFFAOYSA-N 0 0 277.751 3.691 20 10 CHCDRN CCC[C@H]1CCC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000294987787 1127612303 /nfs/dbraw/zinc/61/23/03/1127612303.db2.gz YRQQJQAWCDKYOJ-ZFWWWQNUSA-N 0 0 275.392 3.567 20 10 CHCDRN CCN(CC)c1ccc(CN[C@@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000295210666 1127627838 /nfs/dbraw/zinc/62/78/38/1127627838.db2.gz LMLPEQCBPQHOIZ-RHSMWYFYSA-N 0 0 298.434 3.525 20 10 CHCDRN C[C@@H]([NH2+]CCCC(C)(F)F)c1ccc(F)c(F)c1[O-] ZINC000297249104 1127691540 /nfs/dbraw/zinc/69/15/40/1127691540.db2.gz JDZZOOAHZQOOHT-MRVPVSSYSA-N 0 0 279.277 3.756 20 10 CHCDRN Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@H](F)C2)c(Cl)c1 ZINC001326188356 1127698271 /nfs/dbraw/zinc/69/82/71/1127698271.db2.gz LEVMLWKHRBDKLR-WDEREUQCSA-N 0 0 271.763 3.724 20 10 CHCDRN Cc1cc(C)cc(N(C)C(=O)/C=C/c2cncc(F)c2)c1 ZINC000171455690 1127708331 /nfs/dbraw/zinc/70/83/31/1127708331.db2.gz UZODZBQZUVFQKJ-SNAWJCMRSA-N 0 0 284.334 3.514 20 10 CHCDRN Cc1cc(C(=O)N2CCCC[C@@H]2C)c(C)n1-c1ccccn1 ZINC000298349705 1127720069 /nfs/dbraw/zinc/72/00/69/1127720069.db2.gz SUHQADIRDATWOT-ZDUSSCGKSA-N 0 0 297.402 3.504 20 10 CHCDRN CC(C)[N@H+](Cc1ccccc1)Cc1ccccc1O ZINC000062183912 1127737148 /nfs/dbraw/zinc/73/71/48/1127737148.db2.gz HUEWTSUGSRKUKL-UHFFFAOYSA-N 0 0 255.361 3.803 20 10 CHCDRN [O-]c1c(F)cccc1C[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001138128687 1127771936 /nfs/dbraw/zinc/77/19/36/1127771936.db2.gz UXJOQXUEOOMVTH-CYBMUJFWSA-N 0 0 281.346 3.636 20 10 CHCDRN C[C@@H]([NH2+]C[C@@H](C)c1ccccc1)c1ccc(F)cc1[O-] ZINC000062745073 1127772505 /nfs/dbraw/zinc/77/25/05/1127772505.db2.gz LMEBTNSMXXWCGZ-CHWSQXEVSA-N 0 0 273.351 3.986 20 10 CHCDRN C[C@@H]([NH2+]CCc1ccccc1F)c1ccc(F)cc1[O-] ZINC000062744821 1127772538 /nfs/dbraw/zinc/77/25/38/1127772538.db2.gz ZWSISWKARCTUSZ-LLVKDONJSA-N 0 0 277.314 3.564 20 10 CHCDRN C[C@@H](Cc1cccs1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062746780 1127773788 /nfs/dbraw/zinc/77/37/88/1127773788.db2.gz FLSSAROSITXHSS-QWRGUYRKSA-N 0 0 279.380 3.875 20 10 CHCDRN CC[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1ccccc1O ZINC000373446217 1127844159 /nfs/dbraw/zinc/84/41/59/1127844159.db2.gz BXEWNOJMKNOTMD-QZTJIDSGSA-N 0 0 296.414 3.620 20 10 CHCDRN CCn1nc(C)c(NCc2cc(Cl)cc(F)c2O)c1C ZINC000777503551 1128095051 /nfs/dbraw/zinc/09/50/51/1128095051.db2.gz ZJVFRLFMAARNGG-UHFFFAOYSA-N 0 0 297.761 3.630 20 10 CHCDRN CCc1cc(NCc2ccc(N3CCCCC3)cc2)no1 ZINC000777519286 1128098866 /nfs/dbraw/zinc/09/88/66/1128098866.db2.gz FFBGSAXJHWZDRE-UHFFFAOYSA-N 0 0 285.391 3.839 20 10 CHCDRN CCOCCN(Cc1ccccc1)c1ccc(OC)cc1 ZINC000096982108 1128136103 /nfs/dbraw/zinc/13/61/03/1128136103.db2.gz FSVUKORKTCSQJU-UHFFFAOYSA-N 0 0 285.387 3.738 20 10 CHCDRN C[C@@H](Nc1cccc2c1CCO2)c1ccccc1O ZINC000690247380 1128256691 /nfs/dbraw/zinc/25/66/91/1128256691.db2.gz LZIMWNRAWRZGJX-LLVKDONJSA-N 0 0 255.317 3.500 20 10 CHCDRN CCC(CC)[C@@H](C)C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000761974290 1128258071 /nfs/dbraw/zinc/25/80/71/1128258071.db2.gz VWLZJDQESVUNBY-VXGBXAGGSA-N 0 0 293.407 3.650 20 10 CHCDRN CCc1ccc(N(CC)C(=O)/C=C/c2cccnc2)cc1 ZINC000914519902 1128202353 /nfs/dbraw/zinc/20/23/53/1128202353.db2.gz YPDXXHBKQJYPKL-FMIVXFBMSA-N 0 0 280.371 3.710 20 10 CHCDRN CCN(C(=O)/C=C/c1cccnc1)c1cc(C)cc(C)c1 ZINC000914516407 1128203204 /nfs/dbraw/zinc/20/32/04/1128203204.db2.gz LWBYBRGSZJSHLO-BQYQJAHWSA-N 0 0 280.371 3.765 20 10 CHCDRN C[C@H]([NH2+][C@H]1CCCc2cccnc21)c1ccc(F)cc1[O-] ZINC000927064480 1128214423 /nfs/dbraw/zinc/21/44/23/1128214423.db2.gz VMZZNKTWAQRLAV-NHYWBVRUSA-N 0 0 286.350 3.655 20 10 CHCDRN C[C@H]([NH2+]CC[C@@H]1CCC2(CCC2)O1)c1c([O-])cccc1F ZINC000927124005 1128219980 /nfs/dbraw/zinc/21/99/80/1128219980.db2.gz GOBNLSQAUMPQKU-STQMWFEESA-N 0 0 293.382 3.674 20 10 CHCDRN CCc1ccccc1NNC(=S)Nc1ccccc1C ZINC000915121851 1128283385 /nfs/dbraw/zinc/28/33/85/1128283385.db2.gz NYWCUWSTJJNEMJ-UHFFFAOYSA-N 0 0 285.416 3.871 20 10 CHCDRN Cc1ccc2c(c1)CCCN2C(=O)/C=C\c1ccc(C)nc1 ZINC000777841866 1128291194 /nfs/dbraw/zinc/29/11/94/1128291194.db2.gz NPYZVBWFNXUQQW-NTMALXAHSA-N 0 0 292.382 3.691 20 10 CHCDRN CC(C)CCN(C(=O)C1=CC(=O)CS1)C1CCCC1 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ASFOBLDISFAGGZ-SNVBAGLBSA-N 0 0 289.404 3.830 20 10 CHCDRN C[C@@H]1CCC[N@H+](Cc2c([O-])cc(F)cc2F)C[C@H]1C ZINC001140582929 1119147999 /nfs/dbraw/zinc/14/79/99/1119147999.db2.gz PWMMAOURNXFHKK-GHMZBOCLSA-N 0 0 269.335 3.538 20 10 CHCDRN CCN(C(=O)/C=C\c1cnc(C)s1)c1ccc(F)cc1 ZINC000255541827 1119200198 /nfs/dbraw/zinc/20/01/98/1119200198.db2.gz MDVRAWSLNTXMAJ-HJWRWDBZSA-N 0 0 290.363 3.657 20 10 CHCDRN CC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708137748 1119225964 /nfs/dbraw/zinc/22/59/64/1119225964.db2.gz DMHYYMUFRRRGTA-SSDOTTSWSA-N 0 0 292.604 3.696 20 10 CHCDRN Cc1ccccc1NC(=S)Nc1cccc(N(C)C)c1 ZINC000240789526 1119408542 /nfs/dbraw/zinc/40/85/42/1119408542.db2.gz AYFJBZPBJOSQBS-UHFFFAOYSA-N 0 0 285.416 3.870 20 10 CHCDRN C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])[C@H]1C ZINC000252767029 1119483227 /nfs/dbraw/zinc/48/32/27/1119483227.db2.gz HXHITVSDKWGOEQ-SUNKGSAMSA-N 0 0 267.800 3.960 20 10 CHCDRN C[C@H](NC(=O)C(C)(C)C1CCCC1)c1ccccc1O ZINC000827972870 1119496559 /nfs/dbraw/zinc/49/65/59/1119496559.db2.gz BQNZWDUDGNWYFX-LBPRGKRZSA-N 0 0 275.392 3.786 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[N@@H+](C)C2CC(C)C2)c1 ZINC001236664122 1128862238 /nfs/dbraw/zinc/86/22/38/1128862238.db2.gz SKBTUSGGYGOHLW-UHFFFAOYSA-N 0 0 298.224 3.693 20 10 CHCDRN C[C@@H]1SCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000310388501 1119746509 /nfs/dbraw/zinc/74/65/09/1119746509.db2.gz FNGTXMFVZYFZDD-WRWORJQWSA-N 0 0 292.231 3.683 20 10 CHCDRN O=C(Nc1csc2ccccc12)C1=CC(=O)CS1 ZINC000779327981 1128871506 /nfs/dbraw/zinc/87/15/06/1128871506.db2.gz RNCZOBNMHUOJMW-UHFFFAOYSA-N 0 0 275.354 3.921 20 10 CHCDRN O=C(/C=C/c1cccnc1)N1CCC=Cc2ccccc21 ZINC000188239871 1119859062 /nfs/dbraw/zinc/85/90/62/1119859062.db2.gz LESREXRZPUUVFZ-ZHACJKMWSA-N 0 0 276.339 3.545 20 10 CHCDRN Oc1ccccc1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC000187594723 1119906334 /nfs/dbraw/zinc/90/63/34/1119906334.db2.gz OHCCLSUNXKLTPX-ZDUSSCGKSA-N 0 0 289.325 3.660 20 10 CHCDRN C[C@H]([NH2+][C@@H]1C=CCC1)c1ccc(Br)cc1O ZINC000850508947 1119962011 /nfs/dbraw/zinc/96/20/11/1119962011.db2.gz MJNPINLKRADJSD-GXSJLCMTSA-N 0 0 282.181 3.524 20 10 CHCDRN Cc1csc([C@H](C)NCc2ccc3c(c2)CCCO3)n1 ZINC000921668375 1120062597 /nfs/dbraw/zinc/06/25/97/1120062597.db2.gz XSUPXAGDNFVTTO-LBPRGKRZSA-N 0 0 288.416 3.627 20 10 CHCDRN Cc1snnc1-c1nc(-c2ccc(C(C)C)cc2)no1 ZINC001212405614 1120068697 /nfs/dbraw/zinc/06/86/97/1120068697.db2.gz YVNRNDBHFIMCRI-UHFFFAOYSA-N 0 0 286.360 3.687 20 10 CHCDRN COc1ccc(C[N@@H+]2CC[C@H](C)C[C@H]2C)c([O-])c1Cl ZINC001236811078 1128895483 /nfs/dbraw/zinc/89/54/83/1128895483.db2.gz GJCHJVANPLLCGQ-WDEREUQCSA-N 0 0 283.799 3.675 20 10 CHCDRN CCCC[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715701002 1120237313 /nfs/dbraw/zinc/23/73/13/1120237313.db2.gz BBWGDSUMPLTKMO-UHFFFAOYSA-N 0 0 290.176 3.526 20 10 CHCDRN COc1ccc(N(C)CCCC2CCOCC2)cc1Cl ZINC000765950885 1120264464 /nfs/dbraw/zinc/26/44/64/1120264464.db2.gz ZUHAXLNBUHOMJU-UHFFFAOYSA-N 0 0 297.826 3.992 20 10 CHCDRN CCCC(CCC)c1nc(Cc2ccc(N)cc2)no1 ZINC000843160305 1120276324 /nfs/dbraw/zinc/27/63/24/1120276324.db2.gz XDPXKZHRNMZVIJ-UHFFFAOYSA-N 0 0 273.380 3.926 20 10 CHCDRN CCSc1cccc(/C=C2\SC(=S)N(C)C2=O)c1 ZINC000184579243 1120358384 /nfs/dbraw/zinc/35/83/84/1120358384.db2.gz RHJUBSKTKWXSMK-FLIBITNWSA-N 0 0 295.454 3.630 20 10 CHCDRN Oc1ccc(Cl)cc1CNCc1csc(C2CC2)n1 ZINC000069876804 1128912986 /nfs/dbraw/zinc/91/29/86/1128912986.db2.gz KXKMHNNPVYBDBW-UHFFFAOYSA-N 0 0 294.807 3.669 20 10 CHCDRN CCC[N@@H+](Cc1cccc(Cl)c1[O-])CC(C)C ZINC000310087089 1120392797 /nfs/dbraw/zinc/39/27/97/1120392797.db2.gz HKIAKSSJJYAEMA-UHFFFAOYSA-N 0 0 255.789 3.914 20 10 CHCDRN Cc1ccc(O)c([C@H](C)Nc2cc3c(cc2C)OCO3)c1 ZINC000186517145 1120461354 /nfs/dbraw/zinc/46/13/54/1120461354.db2.gz KXEFHRXRRRECSO-LBPRGKRZSA-N 0 0 285.343 3.911 20 10 CHCDRN COc1ccc(C)cc1N[C@H](C)c1ccccc1O ZINC000019914365 1120549276 /nfs/dbraw/zinc/54/92/76/1120549276.db2.gz CQMJETJWTRDILI-GFCCVEGCSA-N 0 0 257.333 3.882 20 10 CHCDRN c1csc(Sc2ncnc3c4ccccc4oc32)n1 ZINC000053580624 1120556551 /nfs/dbraw/zinc/55/65/51/1120556551.db2.gz KTDVJRLJXQENRZ-UHFFFAOYSA-N 0 0 285.353 3.984 20 10 CHCDRN C[C@@H]([NH2+]C[C@H](C)C(C)(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756582957 1120561810 /nfs/dbraw/zinc/56/18/10/1120561810.db2.gz LXRJDCTYIAIGBZ-WDEREUQCSA-N 0 0 280.368 3.633 20 10 CHCDRN C[C@H](N[C@@H]1CCCC1(F)F)c1ccc(N(C)C)cc1 ZINC000398095261 1120566727 /nfs/dbraw/zinc/56/67/27/1120566727.db2.gz XJFXJQXQGRNUHL-SMDDNHRTSA-N 0 0 268.351 3.591 20 10 CHCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(C)nc1 ZINC000282385833 1120604159 /nfs/dbraw/zinc/60/41/59/1120604159.db2.gz DCZDSKGTJDMRRG-UHFFFAOYSA-N 0 0 298.386 3.538 20 10 CHCDRN C[C@H]1C[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCS1 ZINC000922836366 1120607571 /nfs/dbraw/zinc/60/75/71/1120607571.db2.gz JFPBDWLJZQFEIA-IUCAKERBSA-N 0 0 289.803 3.558 20 10 CHCDRN C[C@@H]([NH2+]Cc1ccc2ncccc2c1)c1ccc(F)cc1[O-] ZINC000195147334 1120615055 /nfs/dbraw/zinc/61/50/55/1120615055.db2.gz JHOJOBOBACFKTL-GFCCVEGCSA-N 0 0 296.345 3.930 20 10 CHCDRN CCc1nnc(CN(C)c2ccc(OC(C)C)cc2)s1 ZINC000759915067 1120622500 /nfs/dbraw/zinc/62/25/00/1120622500.db2.gz OBRSZYAGRYCIOJ-UHFFFAOYSA-N 0 0 291.420 3.524 20 10 CHCDRN COc1ccc(O)c(CN2C[C@H](C)c3ccccc32)c1 ZINC000398569921 1120719150 /nfs/dbraw/zinc/71/91/50/1120719150.db2.gz LHERZDPASXUMKU-LBPRGKRZSA-N 0 0 269.344 3.525 20 10 CHCDRN COc1ccc(N(C)Cc2nc(C(C)(C)C)co2)cc1F ZINC000893462333 1120781012 /nfs/dbraw/zinc/78/10/12/1120781012.db2.gz BTRLAQCEHIKAMQ-UHFFFAOYSA-N 0 0 292.354 3.756 20 10 CHCDRN CC(C)Oc1ccc(N(C)CC[C@H]2CCCCO2)cc1 ZINC000759929403 1120871582 /nfs/dbraw/zinc/87/15/82/1120871582.db2.gz VMMDCLFZSVNPAP-MRXNPFEDSA-N 0 0 277.408 3.869 20 10 CHCDRN COc1ccc(O)c([C@@H](C)Nc2ccc3c(c2)CCCO3)c1 ZINC000186438055 1120919687 /nfs/dbraw/zinc/91/96/87/1120919687.db2.gz ANJYMPHCNICZSW-GFCCVEGCSA-N 0 0 299.370 3.899 20 10 CHCDRN Cc1ccc(/C=C/C(=O)N2CCCc3cccc(F)c32)cn1 ZINC000779472066 1128954751 /nfs/dbraw/zinc/95/47/51/1128954751.db2.gz ONGIZDHGXDFOBC-MDZDMXLPSA-N 0 0 296.345 3.522 20 10 CHCDRN Oc1cccc(Cl)c1CNc1cnn(C2CCCC2)c1 ZINC000722376874 1121009917 /nfs/dbraw/zinc/00/99/17/1121009917.db2.gz LWFXDOPYMNDSGS-UHFFFAOYSA-N 0 0 291.782 3.969 20 10 CHCDRN CC(C)C[C@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773409896 1121044572 /nfs/dbraw/zinc/04/45/72/1121044572.db2.gz HBDNIXFHMOVGIX-KBPBESRZSA-N 0 0 291.439 3.547 20 10 CHCDRN CCOc1cc(F)c(Nc2cccc(O)c2O)cc1F ZINC001175057019 1121143476 /nfs/dbraw/zinc/14/34/76/1121143476.db2.gz XABRTPGWKMGRNZ-UHFFFAOYSA-N 0 0 281.258 3.518 20 10 CHCDRN C[C@H]([NH2+]CC1CC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000701942922 1121174279 /nfs/dbraw/zinc/17/42/79/1121174279.db2.gz DAVHJKNGVXGVEV-JTQLQIEISA-N 0 0 251.345 3.618 20 10 CHCDRN [O-]c1cccc(F)c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC001137831601 1121174590 /nfs/dbraw/zinc/17/45/90/1121174590.db2.gz HDOCRXPCRNQYRF-UHFFFAOYSA-N 0 0 299.389 3.986 20 10 CHCDRN Oc1cccc(F)c1CN1CCc2ccc(Cl)cc2C1 ZINC001137831710 1121177190 /nfs/dbraw/zinc/17/71/90/1121177190.db2.gz KTUDSEZOYBSYAD-UHFFFAOYSA-N 0 0 291.753 3.743 20 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COCc1ccc(CN(C)c2ccc(OC(C)C)cc2)o1 ZINC000763542501 1128982810 /nfs/dbraw/zinc/98/28/10/1128982810.db2.gz YDVYNULCIFPTRO-UHFFFAOYSA-N 0 0 289.375 3.850 20 10 CHCDRN CC[N@H+](Cc1cccc(OC)c1)Cc1c([O-])cccc1F ZINC001137838695 1121421935 /nfs/dbraw/zinc/42/19/35/1121421935.db2.gz HSXLQRMTTSBYNG-UHFFFAOYSA-N 0 0 289.350 3.562 20 10 CHCDRN Cc1ncoc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000894016310 1121455897 /nfs/dbraw/zinc/45/58/97/1121455897.db2.gz ANFNOMMCTSVROM-UHFFFAOYSA-N 0 0 286.375 3.633 20 10 CHCDRN C[C@@H]1CCC[C@@H](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000749784270 1121475529 /nfs/dbraw/zinc/47/55/29/1121475529.db2.gz GDLNXFCQKMSNRZ-GDBMZVCRSA-N 0 0 288.435 3.585 20 10 CHCDRN Nc1ccc(Nc2cnn(C3CCCCC3)c2)cc1 ZINC001175883831 1121476414 /nfs/dbraw/zinc/47/64/14/1121476414.db2.gz FCHKKLTZKIMJLV-UHFFFAOYSA-N 0 0 256.353 3.714 20 10 CHCDRN CCOc1cccc(CNc2ccc3ncccc3c2)c1O ZINC000236941770 1121498276 /nfs/dbraw/zinc/49/82/76/1121498276.db2.gz XAZMUIZPOKDKTE-UHFFFAOYSA-N 0 0 294.354 3.951 20 10 CHCDRN CCc1onc(C)c1C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000922982132 1121504817 /nfs/dbraw/zinc/50/48/17/1121504817.db2.gz NXEOFTJFMYASHT-UHFFFAOYSA-N 0 0 294.782 3.503 20 10 CHCDRN Cc1cc(N(CCO)c2ccc(N)cc2)cc(C)c1Cl ZINC001176337659 1121600228 /nfs/dbraw/zinc/60/02/28/1121600228.db2.gz JXGKZZUGABJBRA-UHFFFAOYSA-N 0 0 290.794 3.669 20 10 CHCDRN Cc1ncc(Nc2ccc(Cc3ccc(N)cc3)cc2)cn1 ZINC001176396621 1121624340 /nfs/dbraw/zinc/62/43/40/1121624340.db2.gz WMPALJHGPOVOGE-UHFFFAOYSA-N 0 0 290.370 3.702 20 10 CHCDRN Oc1cccc(Nc2cc(F)cc(N3CCCC3)c2)c1O ZINC001176420882 1121630835 /nfs/dbraw/zinc/63/08/35/1121630835.db2.gz IGHUQOFHZJQGLA-UHFFFAOYSA-N 0 0 288.322 3.581 20 10 CHCDRN CC[C@@H](C)CN(C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773610402 1121708565 /nfs/dbraw/zinc/70/85/65/1121708565.db2.gz IMDJQYMLKCWWNW-KGLIPLIRSA-N 0 0 291.439 3.501 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2C=CCCC2)c1 ZINC001178059784 1121764169 /nfs/dbraw/zinc/76/41/69/1121764169.db2.gz KHLJJNGTMBYCDB-LBPRGKRZSA-N 0 0 296.208 3.661 20 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3.886 20 10 CHCDRN CCCCC1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000732277585 1121914955 /nfs/dbraw/zinc/91/49/55/1121914955.db2.gz LQHPXNIEINSGPG-UHFFFAOYSA-N 0 0 281.421 3.933 20 10 CHCDRN O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)C1=CC(=O)CS1 ZINC000732259160 1121915054 /nfs/dbraw/zinc/91/50/54/1121915054.db2.gz NIHJROLMCBFVED-IJLUTSLNSA-N 0 0 279.405 3.542 20 10 CHCDRN CSCc1ccc(NC(=O)C2=CC(=O)CS2)cc1 ZINC000732284017 1121916718 /nfs/dbraw/zinc/91/67/18/1121916718.db2.gz GSHSTANWMLIXHF-UHFFFAOYSA-N 0 0 279.386 3.569 20 10 CHCDRN C[C@H](OC(=O)C1=CC(=O)CS1)c1ccccc1F ZINC000732353165 1121917369 /nfs/dbraw/zinc/91/73/69/1121917369.db2.gz MZMDEPJMBSCHMW-QMMMGPOBSA-N 0 0 266.293 3.511 20 10 CHCDRN Cc1cccc(CCC(=O)NCc2c(C)cc(C)cc2O)c1 ZINC001180168763 1121960754 /nfs/dbraw/zinc/96/07/54/1121960754.db2.gz NOWIVHSIZUMKFU-UHFFFAOYSA-N 0 0 297.398 3.566 20 10 CHCDRN Cc1cc(Cl)cc([C@@H](C)NCC(C)(F)F)c1O ZINC000815643674 1121971598 /nfs/dbraw/zinc/97/15/98/1121971598.db2.gz IIZOCGAEGDUTPS-MRVPVSSYSA-N 0 0 263.715 3.660 20 10 CHCDRN CCCN(Cc1ncc(C(C)C)o1)Cc1ccccc1O ZINC000733309092 1121975126 /nfs/dbraw/zinc/97/51/26/1121975126.db2.gz AGYDTHMEOVKQDQ-UHFFFAOYSA-N 0 0 288.391 3.916 20 10 CHCDRN COc1ccc(CN(C)c2ccc(OC)c(Cl)c2)o1 ZINC001180758859 1122012299 /nfs/dbraw/zinc/01/22/99/1122012299.db2.gz MHGWRGXMSYGHTA-UHFFFAOYSA-N 0 0 281.739 3.587 20 10 CHCDRN Cc1cc2c(cc1C)N(Cc1cc(F)cc(F)c1O)CC2 ZINC001181676077 1122071796 /nfs/dbraw/zinc/07/17/96/1122071796.db2.gz VSUPDUGAPPMACW-UHFFFAOYSA-N 0 0 289.325 3.850 20 10 CHCDRN CN(Cc1ccc(Cl)cc1O)Cc1c(F)cccc1F ZINC001181944087 1122098977 /nfs/dbraw/zinc/09/89/77/1122098977.db2.gz ARDKMNVMBLSLME-UHFFFAOYSA-N 0 0 297.732 3.956 20 10 CHCDRN COc1cc(C)cc(CNc2ncc(Cl)cc2C)c1O ZINC001182108852 1122109954 /nfs/dbraw/zinc/10/99/54/1122109954.db2.gz HHRWFDOOCSEKCZ-UHFFFAOYSA-N 0 0 292.766 3.678 20 10 CHCDRN CC(C)(C)OC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000271715987 1122171546 /nfs/dbraw/zinc/17/15/46/1122171546.db2.gz IIZICAAUTLYHPC-UHFFFAOYSA-N 0 0 297.826 3.825 20 10 CHCDRN CCc1nn(C)cc1N[C@@H](C)c1ccc(N(C)CC)cc1 ZINC000271944576 1122183741 /nfs/dbraw/zinc/18/37/41/1122183741.db2.gz BIRFDIPFTYKODJ-ZDUSSCGKSA-N 0 0 286.423 3.612 20 10 CHCDRN CC(C)(C)Cc1nnc(NCc2c(O)cccc2Cl)o1 ZINC000272222971 1122194709 /nfs/dbraw/zinc/19/47/09/1122194709.db2.gz KSBGCFGHZCVNAZ-UHFFFAOYSA-N 0 0 295.770 3.629 20 10 CHCDRN CC(C)C[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2O)CCO1 ZINC000272895344 1122215068 /nfs/dbraw/zinc/21/50/68/1122215068.db2.gz UCOKMZLEGVZWJF-SOUVJXGZSA-N 0 0 277.408 3.637 20 10 CHCDRN Cc1cccc2nc(N(C)Cc3ccc(N(C)C)cc3)oc21 ZINC001184624730 1122288930 /nfs/dbraw/zinc/28/89/30/1122288930.db2.gz HBDWVUQQDWNSFZ-UHFFFAOYSA-N 0 0 295.386 3.839 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1C=CCC1 ZINC000711659034 1122311745 /nfs/dbraw/zinc/31/17/45/1122311745.db2.gz DINVAAJVJFENNX-VIFPVBQESA-N 0 0 272.175 3.755 20 10 CHCDRN Cc1c(NCc2cc(Cl)ccc2O)cnn1CC(C)C ZINC000774823930 1122319241 /nfs/dbraw/zinc/31/92/41/1122319241.db2.gz OYOLDNUVLQBLAI-UHFFFAOYSA-N 0 0 293.798 3.819 20 10 CHCDRN CCC[C@@H]1C[C@H]1NC(=O)N(CCC)Cc1ccccc1O ZINC000074926852 1122406714 /nfs/dbraw/zinc/40/67/14/1122406714.db2.gz ABLWCZRTIXKJFX-UKRRQHHQSA-N 0 0 290.407 3.502 20 10 CHCDRN CN(Cc1cc(F)ccc1O)Cc1cc(Cl)ccc1F ZINC000775126390 1122430923 /nfs/dbraw/zinc/43/09/23/1122430923.db2.gz USQNMKWYCMKQTE-UHFFFAOYSA-N 0 0 297.732 3.956 20 10 CHCDRN Cc1ccc(N(C)C(=O)/C=C/c2cncc(C)c2)c(C)c1 ZINC000121361541 1122488129 /nfs/dbraw/zinc/48/81/29/1122488129.db2.gz XUIQTLPAELEPEF-SOFGYWHQSA-N 0 0 280.371 3.683 20 10 CHCDRN CCOc1cccc(CNc2cccc3cc[nH]c32)c1O ZINC000775341837 1122523800 /nfs/dbraw/zinc/52/38/00/1122523800.db2.gz SJGGTMFDMGOVMP-UHFFFAOYSA-N 0 0 282.343 3.884 20 10 CHCDRN Cc1cccc(C(=O)N[C@H](C)c2ccccc2O)c1Cl ZINC001151885708 1122550295 /nfs/dbraw/zinc/55/02/95/1122550295.db2.gz CYIQUHDUNYJJOD-LLVKDONJSA-N 0 0 289.762 3.845 20 10 CHCDRN C[C@@H](NC(=O)C(F)=C1CCCC1)c1ccc(N(C)C)cc1 ZINC000775409342 1122553770 /nfs/dbraw/zinc/55/37/70/1122553770.db2.gz FODZQDVZGMYKCX-GFCCVEGCSA-N 0 0 290.382 3.727 20 10 CHCDRN CC/C(C)=C(\C)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775409337 1122554126 /nfs/dbraw/zinc/55/41/26/1122554126.db2.gz FOAKILMBAPGWNO-FNDVETGQSA-N 0 0 274.408 3.676 20 10 CHCDRN CCN(CCN1CCc2ccccc21)c1ccc(OC)cc1 ZINC001191839515 1122618528 /nfs/dbraw/zinc/61/85/28/1122618528.db2.gz RBUUXFFASACBEE-UHFFFAOYSA-N 0 0 296.414 3.584 20 10 CHCDRN CCOc1ccc(N(CC)CCOCC2CCC2)cc1 ZINC001192012773 1122626726 /nfs/dbraw/zinc/62/67/26/1122626726.db2.gz KCSCPNSJJVMMMN-UHFFFAOYSA-N 0 0 277.408 3.728 20 10 CHCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H]2C)c1[O-] ZINC001193392844 1122688708 /nfs/dbraw/zinc/68/87/08/1122688708.db2.gz NHDIZUGAGMWMFA-XPTSAGLGSA-N 0 0 281.783 3.526 20 10 CHCDRN CCCC[C@H](CC)COC(=O)NCc1cccc(O)c1O ZINC001193982725 1122734682 /nfs/dbraw/zinc/73/46/82/1122734682.db2.gz CBISIJUCHKZQDG-LBPRGKRZSA-N 0 0 295.379 3.540 20 10 CHCDRN COc1cc(NCc2cccc(C)c2O)ccc1Cl ZINC000193417402 1129075610 /nfs/dbraw/zinc/07/56/10/1129075610.db2.gz RYMVJUCLCBYSDE-UHFFFAOYSA-N 0 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297.826 3.827 20 10 CHCDRN Nc1ccc(NC2=CC[C@H](C(F)(F)F)CC2)cc1 ZINC001197295961 1122950032 /nfs/dbraw/zinc/95/00/32/1122950032.db2.gz SDMJWQHPJDGFLX-VIFPVBQESA-N 0 0 256.271 3.927 20 10 CHCDRN CC(C)[C@H](Sc1nccs1)C(=O)NC1CCCCC1 ZINC000048876176 1122955813 /nfs/dbraw/zinc/95/58/13/1122955813.db2.gz XDFHGISHEUOEGO-LBPRGKRZSA-N 0 0 298.477 3.709 20 10 CHCDRN CCOc1ccc(N(C)C[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC001197565091 1122960007 /nfs/dbraw/zinc/96/00/07/1122960007.db2.gz PIBWFHGDRACWNJ-QLFBSQMISA-N 0 0 259.393 3.958 20 10 CHCDRN CC[C@@H](CC(=O)N[C@H](C)c1cc(OC)ccc1O)C(C)C ZINC000104900796 1123023603 /nfs/dbraw/zinc/02/36/03/1123023603.db2.gz FMEAFESKFWFMRG-OLZOCXBDSA-N 0 0 293.407 3.650 20 10 CHCDRN Cc1cccc(C[NH2+]Cc2ccc3ccccc3n2)c1O ZINC000776087632 1123054781 /nfs/dbraw/zinc/05/47/81/1123054781.db2.gz ZYBJCAAKJCBCKP-UHFFFAOYSA-N 0 0 278.355 3.539 20 10 CHCDRN CCc1ccccc1NC(=S)NNc1ccccc1C ZINC000018918509 1123065179 /nfs/dbraw/zinc/06/51/79/1123065179.db2.gz RHSDNOXIKNFGIZ-UHFFFAOYSA-N 0 0 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CHCDRN Cc1cncc(NC/C=C\c2ccc(N(C)C)cc2)c1 ZINC001201579683 1123127272 /nfs/dbraw/zinc/12/72/72/1123127272.db2.gz HDAQJNFZBGOOPY-PLNGDYQASA-N 0 0 267.376 3.581 20 10 CHCDRN COc1cc(F)ccc1NCc1cc(C)c(C)cc1O ZINC000237186542 1123175853 /nfs/dbraw/zinc/17/58/53/1123175853.db2.gz ZNIRRMLWYQHEAS-UHFFFAOYSA-N 0 0 275.323 3.769 20 10 CHCDRN Cc1cccc(C)c1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000776253860 1123179662 /nfs/dbraw/zinc/17/96/62/1123179662.db2.gz VKXFMEDHZWIRLA-UHFFFAOYSA-N 0 0 275.779 3.952 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C1CCC(F)(F)CC1 ZINC000776253723 1123179819 /nfs/dbraw/zinc/17/98/19/1123179819.db2.gz PNFVTZORDZHVFH-UHFFFAOYSA-N 0 0 293.716 3.852 20 10 CHCDRN Cc1cccc(C)c1NC(=O)N[C@@H](C)c1ccccc1O ZINC001202213191 1123188304 /nfs/dbraw/zinc/18/83/04/1123188304.db2.gz UYGKDBPFKPRVDT-ZDUSSCGKSA-N 0 0 284.359 3.892 20 10 CHCDRN COc1cc(NCc2cc(C)ccc2O)ccc1Cl ZINC000193679706 1129104703 /nfs/dbraw/zinc/10/47/03/1129104703.db2.gz DOZZBEIRRQXFTK-UHFFFAOYSA-N 0 0 277.751 3.975 20 10 CHCDRN CCCCCCNC(=O)CSc1ncc(Cl)s1 ZINC000849999060 1123236108 /nfs/dbraw/zinc/23/61/08/1123236108.db2.gz WBPUDHQTPKPVHR-UHFFFAOYSA-N 0 0 292.857 3.585 20 10 CHCDRN Clc1cnc(SCc2noc3c2CCCC3)s1 ZINC000849998280 1123236389 /nfs/dbraw/zinc/23/63/89/1123236389.db2.gz CYWUVZDQVVWYFU-UHFFFAOYSA-N 0 0 286.809 3.956 20 10 CHCDRN CC(=O)C(=O)CS[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000850002475 1123236823 /nfs/dbraw/zinc/23/68/23/1123236823.db2.gz ILECMFRVRUWDIX-SECBINFHSA-N 0 0 290.306 3.658 20 10 CHCDRN C[C@H](Sc1ncc(Cl)s1)c1csnn1 ZINC000850002148 1123236917 /nfs/dbraw/zinc/23/69/17/1123236917.db2.gz UVXLJVVJZPMKSX-BYPYZUCNSA-N 0 0 263.800 3.501 20 10 CHCDRN C[C@@H](NCC(F)(F)c1cccc(F)c1)c1ccccc1O ZINC000850504120 1123276389 /nfs/dbraw/zinc/27/63/89/1123276389.db2.gz VBHNNAVBJUGEOA-LLVKDONJSA-N 0 0 295.304 3.974 20 10 CHCDRN C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1cscn1 ZINC000850511277 1123277920 /nfs/dbraw/zinc/27/79/20/1123277920.db2.gz BCSOKPHTHGCUOQ-YUMQZZPRSA-N 0 0 284.331 3.539 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)c1cscn1)c1ccc(F)cc1[O-] ZINC000850511825 1123278376 /nfs/dbraw/zinc/27/83/76/1123278376.db2.gz NYMSIYLOIVXHAS-BXKDBHETSA-N 0 0 280.368 3.790 20 10 CHCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@H]2C[C@H]21)c1cc(F)cc(F)c1[O-] ZINC000850530855 1123285417 /nfs/dbraw/zinc/28/54/17/1123285417.db2.gz FFVCXACNUQELRN-AYGWYOGXSA-N 0 0 281.346 3.757 20 10 CHCDRN C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccc(F)cc1[O-] ZINC000850536217 1123287301 /nfs/dbraw/zinc/28/73/01/1123287301.db2.gz IMVHCEXTBZLGIM-RNCFNFMXSA-N 0 0 273.298 3.617 20 10 CHCDRN C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1cc(F)cc(F)c1[O-] ZINC000850553611 1123290166 /nfs/dbraw/zinc/29/01/66/1123290166.db2.gz ZMNDCSVJXLXHIP-CPCISQLKSA-N 0 0 291.288 3.612 20 10 CHCDRN C[C@H](NCC(F)(F)c1ccc(F)cc1)c1ccccc1O ZINC000850562441 1123292664 /nfs/dbraw/zinc/29/26/64/1123292664.db2.gz UPMWBFSGZXEUNI-NSHDSACASA-N 0 0 295.304 3.974 20 10 CHCDRN Cc1nc(CN(C)c2ccc(OC(C)C)cc2)c(C)o1 ZINC000851985877 1123391916 /nfs/dbraw/zinc/39/19/16/1123391916.db2.gz 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/nfs/dbraw/zinc/51/44/19/1123514419.db2.gz UYNJFADFVZDMEQ-BQYQJAHWSA-N 0 0 298.411 3.616 20 10 CHCDRN Cc1csc([C@@H](C)NCc2ccc(N(C)C)c(F)c2)n1 ZINC000113334664 1123521679 /nfs/dbraw/zinc/52/16/79/1123521679.db2.gz KRQJTFKSPAXPDX-LLVKDONJSA-N 0 0 293.411 3.507 20 10 CHCDRN CC[C@H]1CC[C@H](C(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000857548833 1123606540 /nfs/dbraw/zinc/60/65/40/1123606540.db2.gz WMNPIWXIAJXDJH-HAQNSBGRSA-N 0 0 295.810 3.878 20 10 CHCDRN Cc1cccc(NC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000115640378 1123620109 /nfs/dbraw/zinc/62/01/09/1123620109.db2.gz BXCGQXUAFAJEGH-UHFFFAOYSA-N 0 0 297.402 3.691 20 10 CHCDRN CCCOc1ccc(NCc2ccccc2O)cc1F ZINC000858310764 1123643157 /nfs/dbraw/zinc/64/31/57/1123643157.db2.gz UTMVIRPRIQXLAZ-UHFFFAOYSA-N 0 0 275.323 3.932 20 10 CHCDRN CCC[C@H](C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-])OCC ZINC000858451726 1123655456 /nfs/dbraw/zinc/65/54/56/1123655456.db2.gz ZQSFMZNETARKHR-ZYHUDNBSSA-N 0 0 287.350 3.526 20 10 CHCDRN C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])c1ccns1 ZINC000858575533 1123663662 /nfs/dbraw/zinc/66/36/62/1123663662.db2.gz AETKFYDQVOSCMV-YUMQZZPRSA-N 0 0 284.331 3.539 20 10 CHCDRN O=C(NCc1ccccc1O)[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000860234713 1123726979 /nfs/dbraw/zinc/72/69/79/1123726979.db2.gz UIPGAUDRLRNJGV-HZPDHXFCSA-N 0 0 295.382 3.592 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccccc1 ZINC000195119039 1129142400 /nfs/dbraw/zinc/14/24/00/1129142400.db2.gz WNXGBNBPBBIWPV-UHFFFAOYSA-N 0 0 298.386 3.514 20 10 CHCDRN CCN(C)c1ccc([C@@H](C)Nc2ccc(OC)cn2)cc1 ZINC000777200430 1123781418 /nfs/dbraw/zinc/78/14/18/1123781418.db2.gz LUHJMAYEKOENCA-CYBMUJFWSA-N 0 0 285.391 3.719 20 10 CHCDRN Cc1c(NCc2ccc(N(C)C)cc2)cnn1C1CCCC1 ZINC000195455516 1129145200 /nfs/dbraw/zinc/14/52/00/1129145200.db2.gz BWQIMECVOJHAQS-UHFFFAOYSA-N 0 0 298.434 3.985 20 10 CHCDRN Cc1cc(Cl)cc(CN2Cc3ccc(O)cc3C2)c1O ZINC000862450590 1123811597 /nfs/dbraw/zinc/81/15/97/1123811597.db2.gz XAJYCGUCMPISFF-UHFFFAOYSA-N 0 0 289.762 3.575 20 10 CHCDRN [O-]c1c(Cl)cccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000862473488 1123812600 /nfs/dbraw/zinc/81/26/00/1123812600.db2.gz SFFYWWZOJHRQBF-NEPJUHHUSA-N 0 0 283.824 3.516 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCCC(C)(C)C2)c1 ZINC000862758130 1123827346 /nfs/dbraw/zinc/82/73/46/1123827346.db2.gz PPSBOSVMDDMFRJ-ZDUSSCGKSA-N 0 0 275.392 3.533 20 10 CHCDRN CCC[C@@H]1CCC[C@H]1C(=O)NCc1cc(C)ccc1O ZINC000862754760 1123827590 /nfs/dbraw/zinc/82/75/90/1123827590.db2.gz JBHHETZVNATWRG-UKRRQHHQSA-N 0 0 275.392 3.533 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)CC2(C)CCCCC2)c1 ZINC000862757763 1123827597 /nfs/dbraw/zinc/82/75/97/1123827597.db2.gz DMBMPJWTEUVRBZ-UHFFFAOYSA-N 0 0 275.392 3.677 20 10 CHCDRN Cc1ccc(O)c(CNC(=O)CCCCC(C)C)c1 ZINC000862755054 1123827824 /nfs/dbraw/zinc/82/78/24/1123827824.db2.gz NTLKCTIBKNENIU-UHFFFAOYSA-N 0 0 263.381 3.533 20 10 CHCDRN CCC[C@@H]1CCC[C@@H]1C(=O)NCc1cc(C)ccc1O ZINC000862754759 1123827957 /nfs/dbraw/zinc/82/79/57/1123827957.db2.gz JBHHETZVNATWRG-HIFRSBDPSA-N 0 0 275.392 3.533 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ZINC001239871765 1130143359 /nfs/dbraw/zinc/14/33/59/1130143359.db2.gz OYHAWUMVEWDJEV-UHFFFAOYSA-N 0 0 290.366 3.860 20 10 CHCDRN CCCC(C)(C)CC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000787443171 1130149835 /nfs/dbraw/zinc/14/98/35/1130149835.db2.gz BBNOXKLHBNEWFW-GFCCVEGCSA-N 0 0 293.407 3.794 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1cncs1)c1ccc(F)cc1[O-] ZINC000903309347 1130150774 /nfs/dbraw/zinc/15/07/74/1130150774.db2.gz DQRVRTBBOVQVPS-SKDRFNHKSA-N 0 0 280.368 3.790 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)C(C)(C)OC)c1cccc(Cl)c1[O-] ZINC000903330139 1130158097 /nfs/dbraw/zinc/15/80/97/1130158097.db2.gz HXPKVQZLAVZLNP-ZWNOBZJWSA-N 0 0 285.815 3.900 20 10 CHCDRN C[C@H]([NH2+][C@@H](c1ccccn1)C1CC1)c1c([O-])cccc1F ZINC000903335433 1130160683 /nfs/dbraw/zinc/16/06/83/1130160683.db2.gz PCMQLBLJLSFAAH-APPDUMDISA-N 0 0 286.350 3.728 20 10 CHCDRN Oc1ccccc1CNc1nccc(Oc2ccccc2)n1 ZINC000788531623 1130194912 /nfs/dbraw/zinc/19/49/12/1130194912.db2.gz HPGFXPDUPAJTDA-UHFFFAOYSA-N 0 0 293.326 3.587 20 10 CHCDRN c1cc(N2CCCCC2)ccc1-c1cnc2c(c1)CCCN2 ZINC001240019256 1130195173 /nfs/dbraw/zinc/19/51/73/1130195173.db2.gz BQYBHDICQLZUEM-UHFFFAOYSA-N 0 0 293.414 3.740 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCSC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788806991 1130210494 /nfs/dbraw/zinc/21/04/94/1130210494.db2.gz RAIDYMSIHLKDRC-RKDXNWHRSA-N 0 0 291.338 3.567 20 10 CHCDRN CCC[C@@H](C(=O)NCc1ccccc1O)c1ccccc1 ZINC000748354889 1130229729 /nfs/dbraw/zinc/22/97/29/1130229729.db2.gz ORIZWPSKENIUNL-MRXNPFEDSA-N 0 0 283.371 3.592 20 10 CHCDRN CCC[C@@H](NC(=O)NCc1ccccc1O)c1ccccc1 ZINC000748462773 1130235137 /nfs/dbraw/zinc/23/51/37/1130235137.db2.gz JAWOIPWQCVZQRG-MRXNPFEDSA-N 0 0 298.386 3.733 20 10 CHCDRN CCC[C@@H](C)CC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000748622021 1130240189 /nfs/dbraw/zinc/24/01/89/1130240189.db2.gz BXODDFSPBFYMGU-OAHLLOKOSA-N 0 0 290.451 3.975 20 10 CHCDRN CCC/C(C)=C\C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000748724661 1130242393 /nfs/dbraw/zinc/24/23/93/1130242393.db2.gz JWMVTUIGHYJOJU-SQFISAMPSA-N 0 0 288.435 3.848 20 10 CHCDRN C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)c3cccnc3c2[O-])C1 ZINC001170103190 1130246392 /nfs/dbraw/zinc/24/63/92/1130246392.db2.gz DMSDDSUQIZJJTK-CMPLNLGQSA-N 0 0 290.794 3.872 20 10 CHCDRN Oc1ccc(Cl)cc1C[NH2+]Cc1ccnc2ccccc12 ZINC000749111253 1130264180 /nfs/dbraw/zinc/26/41/80/1130264180.db2.gz ZVGXJGQKVZCUGK-UHFFFAOYSA-N 0 0 298.773 3.884 20 10 CHCDRN CN(Cc1cc2ccccc2[nH]1)c1ccc2c(c1)OCO2 ZINC000789748910 1130276176 /nfs/dbraw/zinc/27/61/76/1130276176.db2.gz BEMXVMXYFOTCJK-UHFFFAOYSA-N 0 0 280.327 3.533 20 10 CHCDRN COc1ccc(N(C)Cc2cc3ccccc3[nH]2)cc1F ZINC000789749157 1130276409 /nfs/dbraw/zinc/27/64/09/1130276409.db2.gz KZCOKJBOCIWYJN-UHFFFAOYSA-N 0 0 284.334 3.952 20 10 CHCDRN CO[C@H]1CCOc2c(NCc3cc(C)ccc3O)cccc21 ZINC000790486961 1130315346 /nfs/dbraw/zinc/31/53/46/1130315346.db2.gz RMVQAOLRMAKDDC-KRWDZBQOSA-N 0 0 299.370 3.783 20 10 CHCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]CCc1cccc(F)c1 ZINC000790946735 1130339626 /nfs/dbraw/zinc/33/96/26/1130339626.db2.gz HMPDFODCJPKBLX-UHFFFAOYSA-N 0 0 297.732 3.656 20 10 CHCDRN CO[C@H]1CCOc2c(NCc3cccc(C)c3O)cccc21 ZINC000790943339 1130340244 /nfs/dbraw/zinc/34/02/44/1130340244.db2.gz JVILJOMDNTUFMC-INIZCTEOSA-N 0 0 299.370 3.783 20 10 CHCDRN Cn1ccc2ccc(-c3nccnc3C(F)(F)F)cc21 ZINC001240572304 1130367576 /nfs/dbraw/zinc/36/75/76/1130367576.db2.gz RLSGDLXJSDOFOX-UHFFFAOYSA-N 0 0 277.249 3.654 20 10 CHCDRN Cn1ccc2ccc(-c3cncnc3C(F)(F)F)cc21 ZINC001240574550 1130367819 /nfs/dbraw/zinc/36/78/19/1130367819.db2.gz QNFLZUGNMXUHSY-UHFFFAOYSA-N 0 0 277.249 3.654 20 10 CHCDRN COc1cc(-c2ccc(-n3c(C)ccc3C)nc2)ccc1O ZINC001240614835 1130387080 /nfs/dbraw/zinc/38/70/80/1130387080.db2.gz XGVVGPRMVBLUAC-UHFFFAOYSA-N 0 0 294.354 3.870 20 10 CHCDRN CCN(CC)c1ccc(C2=CCC3(CC2)OCCO3)cc1 ZINC001240708125 1130429949 /nfs/dbraw/zinc/42/99/49/1130429949.db2.gz XBWOLWCBSVPWRS-UHFFFAOYSA-N 0 0 287.403 3.843 20 10 CHCDRN C[C@@H]([NH2+]Cc1ccon1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756638947 1130432961 /nfs/dbraw/zinc/43/29/61/1130432961.db2.gz XJDIVBWQYYDXGB-SSDOTTSWSA-N 0 0 287.146 3.538 20 10 CHCDRN CCn1ccc(C[N@H+](C)Cc2c([O-])ccc(Cl)c2F)c1 ZINC000792181127 1130438358 /nfs/dbraw/zinc/43/83/58/1130438358.db2.gz OWHILJGKPHSUSC-UHFFFAOYSA-N 0 0 296.773 3.638 20 10 CHCDRN COc1ccc(O)c([C@H](C)NC(=O)C2CCCCCC2)c1 ZINC000103528610 1130482931 /nfs/dbraw/zinc/48/29/31/1130482931.db2.gz SFXSGTFHRFCANC-LBPRGKRZSA-N 0 0 291.391 3.548 20 10 CHCDRN C[C@]1(CC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1(F)F ZINC000827260079 1130529445 /nfs/dbraw/zinc/52/94/45/1130529445.db2.gz KNRUEVIGHARMAG-LBPRGKRZSA-N 0 0 293.716 3.710 20 10 CHCDRN C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000793230927 1130531297 /nfs/dbraw/zinc/53/12/97/1130531297.db2.gz IVFFFVKFNKBJFA-KCJUWKMLSA-N 0 0 293.716 3.818 20 10 CHCDRN CC[N@@H+](Cc1cc(Cl)cc(F)c1[O-])CC1CCC1 ZINC000793353595 1130543131 /nfs/dbraw/zinc/54/31/31/1130543131.db2.gz SIVJXNUAVUSOIS-UHFFFAOYSA-N 0 0 271.763 3.807 20 10 CHCDRN COc1ccc(N(C)C[C@@H]2CC2(Cl)Cl)cc1Cl ZINC000758144052 1130601571 /nfs/dbraw/zinc/60/15/71/1130601571.db2.gz ZNGBSCFMSMESDS-QMMMGPOBSA-N 0 0 294.609 3.979 20 10 CHCDRN Cc1cccc(N(C)C(=O)/C=C\c2ccc(Cl)nc2)c1 ZINC000758985560 1130632513 /nfs/dbraw/zinc/63/25/13/1130632513.db2.gz VFBZVBVHWKVQLX-CLFYSBASSA-N 0 0 286.762 3.720 20 10 CHCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000759218913 1130645186 /nfs/dbraw/zinc/64/51/86/1130645186.db2.gz VKDKJFXQVHLWSA-DZGCQCFKSA-N 0 0 288.435 3.504 20 10 CHCDRN CCCC1(C(=O)NCCCSc2nccs2)CCC1 ZINC000759212930 1130645291 /nfs/dbraw/zinc/64/52/91/1130645291.db2.gz PXDAXJOITSXNLW-UHFFFAOYSA-N 0 0 298.477 3.712 20 10 CHCDRN CC(=O)c1cc(O)c(O)cc1O[C@@H](C)c1ccc(F)cc1 ZINC001234474588 1130647501 /nfs/dbraw/zinc/64/75/01/1130647501.db2.gz UKXKXMJHMGROJP-JTQLQIEISA-N 0 0 290.290 3.580 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CC[C@@H](C)C2)c1 ZINC000780578576 1130684557 /nfs/dbraw/zinc/68/45/57/1130684557.db2.gz XMAHNZKDSDIZRA-BXKDBHETSA-N 0 0 298.224 3.741 20 10 CHCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CC[C@H](C)C2)c1 ZINC000780578608 1130684595 /nfs/dbraw/zinc/68/45/95/1130684595.db2.gz XMAHNZKDSDIZRA-JOYOIKCWSA-N 0 0 298.224 3.741 20 10 CHCDRN C[C@H](NC(=O)[C@@]1(C)C[C@@H]1c1ccccc1)c1ccccc1O ZINC000827960767 1130687757 /nfs/dbraw/zinc/68/77/57/1130687757.db2.gz WUPTZMVHYZFWKG-CRFBAAHOSA-N 0 0 295.382 3.763 20 10 CHCDRN COc1ccc(N(C)Cc2occc2C)cc1Cl ZINC000780779811 1130691957 /nfs/dbraw/zinc/69/19/57/1130691957.db2.gz YRIRVSIRHITXNO-UHFFFAOYSA-N 0 0 265.740 3.886 20 10 CHCDRN O=C(N[C@@H]1CCCCC12CCCC2)C1=CC(=O)CS1 ZINC000812725283 1130708866 /nfs/dbraw/zinc/70/88/66/1130708866.db2.gz ZDCLFFIRJYAFCC-CYBMUJFWSA-N 0 0 279.405 3.687 20 10 CHCDRN CC[C@H]([NH2+]CCCCF)c1cccc(Cl)c1[O-] ZINC000812736043 1130710554 /nfs/dbraw/zinc/71/05/54/1130710554.db2.gz KURWWCWZVNFGOQ-LBPRGKRZSA-N 0 0 259.752 3.836 20 10 CHCDRN Cc1cc(Cl)cnc1NCc1cc(F)ccc1O ZINC000812784246 1130713656 /nfs/dbraw/zinc/71/36/56/1130713656.db2.gz DKQVBLWBTQHXPJ-UHFFFAOYSA-N 0 0 266.703 3.500 20 10 CHCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000782011914 1130752220 /nfs/dbraw/zinc/75/22/20/1130752220.db2.gz IYSGQDWDYWQATC-CQSZACIVSA-N 0 0 289.419 3.957 20 10 CHCDRN [O-]c1c(Cl)cccc1C[NH+]1CCC(C2CC2)CC1 ZINC000814172667 1130832641 /nfs/dbraw/zinc/83/26/41/1130832641.db2.gz YALCOPMHEIXSQG-UHFFFAOYSA-N 0 0 265.784 3.668 20 10 CHCDRN CC[C@@H]1CC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000814178975 1130835278 /nfs/dbraw/zinc/83/52/78/1130835278.db2.gz LEWIDJDWILYUTM-SNVBAGLBSA-N 0 0 260.164 3.683 20 10 CHCDRN CN(C)c1ccc(CN[C@@H](C(C)(C)C)C(F)(F)F)cc1 ZINC000783670779 1130846060 /nfs/dbraw/zinc/84/60/60/1130846060.db2.gz RXXXTTLEYANWMN-ZDUSSCGKSA-N 0 0 288.357 3.819 20 10 CHCDRN Cc1ccncc1/C=C\C(=O)N1CCSc2ccccc21 ZINC000783722657 1130853026 /nfs/dbraw/zinc/85/30/26/1130853026.db2.gz KQXQWIZWBBCINL-SREVYHEPSA-N 0 0 296.395 3.542 20 10 CHCDRN Cc1ccncc1/C=C/C(=O)N1CC[C@H](C)c2ccccc21 ZINC000783903440 1130862585 /nfs/dbraw/zinc/86/25/85/1130862585.db2.gz KVCCDNUZNFEWMR-KIUWMYQTSA-N 0 0 292.382 3.944 20 10 CHCDRN Cc1ccncc1/C=C\C(=O)N1CC[C@H](C)c2ccccc21 ZINC000783903444 1130862755 /nfs/dbraw/zinc/86/27/55/1130862755.db2.gz KVCCDNUZNFEWMR-LZNQSLFOSA-N 0 0 292.382 3.944 20 10 CHCDRN Cc1ccc(C)c(N(C)C(=O)/C=C\c2cnccc2C)c1 ZINC000783919713 1130863433 /nfs/dbraw/zinc/86/34/33/1130863433.db2.gz JZKOUYVHEQPYSY-FPLPWBNLSA-N 0 0 280.371 3.683 20 10 CHCDRN Cc1ccncc1/C=C\C(=O)N1C[C@H](C)Cc2ccccc21 ZINC000783959228 1130865820 /nfs/dbraw/zinc/86/58/20/1130865820.db2.gz KNDPNBVKJFRRGE-WBTMPAOCSA-N 0 0 292.382 3.629 20 10 CHCDRN CCN(CC)c1ccc(CNC(=O)C(C)(C)C(C)C)cc1 ZINC000784074197 1130875412 /nfs/dbraw/zinc/87/54/12/1130875412.db2.gz WEHFNTFYYSMZMP-UHFFFAOYSA-N 0 0 290.451 3.831 20 10 CHCDRN CCc1nc(C[NH2+][C@H](CC)c2ccc(F)cc2[O-])cs1 ZINC000796754764 1130928662 /nfs/dbraw/zinc/92/86/62/1130928662.db2.gz LBXQEBDMPIFPQC-CYBMUJFWSA-N 0 0 294.395 3.791 20 10 CHCDRN CC[C@@H]([NH2+][C@H](C)CC(C)(C)OC)c1ccc(F)cc1[O-] ZINC000796787583 1130932636 /nfs/dbraw/zinc/93/26/36/1130932636.db2.gz OORDGFCUKNRGHS-BXUZGUMPSA-N 0 0 283.387 3.776 20 10 CHCDRN CC[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(F)cc1[O-] ZINC000796824508 1130935582 /nfs/dbraw/zinc/93/55/82/1130935582.db2.gz HUNUMBMQJPFKFD-GXFFZTMASA-N 0 0 251.345 3.618 20 10 CHCDRN CC[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(F)cc1[O-] ZINC000796824511 1130936108 /nfs/dbraw/zinc/93/61/08/1130936108.db2.gz HUNUMBMQJPFKFD-MFKMUULPSA-N 0 0 251.345 3.618 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1ccc[nH]1)c1ccc(F)cc1[O-] ZINC000796846804 1130938704 /nfs/dbraw/zinc/93/87/04/1130938704.db2.gz QJLQFZLCDPWZBC-MFKMUULPSA-N 0 0 262.328 3.661 20 10 CHCDRN CC[C@@H](Nc1cnn(CC(C)C)c1)c1ccc(F)cc1O ZINC000796888273 1130942725 /nfs/dbraw/zinc/94/27/25/1130942725.db2.gz BUWROCGJFQJMNT-OAHLLOKOSA-N 0 0 291.370 3.947 20 10 CHCDRN CC[C@@H]([NH2+][C@H]1CCCC[C@@H]1OC)c1ccc(F)cc1[O-] ZINC000796980795 1130950151 /nfs/dbraw/zinc/95/01/51/1130950151.db2.gz APRHHMPPMKWNNP-YCPHGPKFSA-N 0 0 281.371 3.530 20 10 CHCDRN CC1=C[C@@H](C)C[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000797416517 1130986288 /nfs/dbraw/zinc/98/62/88/1130986288.db2.gz ITQOSXZHHZFDLZ-CYBMUJFWSA-N 0 0 267.372 3.943 20 10 CHCDRN CCc1ccc(C[N@H+](C)CCc2ccc(C)cc2)c(O)c1 ZINC001236794279 1131008317 /nfs/dbraw/zinc/00/83/17/1131008317.db2.gz KLKVUZUIKQQKMF-UHFFFAOYSA-N 0 0 283.415 3.938 20 10 CHCDRN CCc1ccc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c(O)c1 ZINC001236793983 1131008821 /nfs/dbraw/zinc/00/88/21/1131008821.db2.gz IQOZXSVVBPHDLR-CVEARBPZSA-N 0 0 273.420 3.967 20 10 CHCDRN CCc1ccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c(O)c1 ZINC001236794771 1131009887 /nfs/dbraw/zinc/00/98/87/1131009887.db2.gz OIFUUZDKKMOROW-INIZCTEOSA-N 0 0 296.414 3.729 20 10 CHCDRN [O-]c1cc(Cl)c(Cl)cc1C[NH+]1CCCCC1 ZINC001236793567 1131009934 /nfs/dbraw/zinc/00/99/34/1131009934.db2.gz LBTXKDBINKDORA-UHFFFAOYSA-N 0 0 260.164 3.685 20 10 CHCDRN Cc1cc(C)c([C@@H](C)N[C@H]2CCCC2(F)F)c(O)c1 ZINC000815627015 1131010996 /nfs/dbraw/zinc/01/09/96/1131010996.db2.gz QURWFUBNZWXKQW-YPMHNXCESA-N 0 0 269.335 3.847 20 10 CHCDRN COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)c([O-])c1Cl ZINC001236811073 1131012373 /nfs/dbraw/zinc/01/23/73/1131012373.db2.gz GJCHJVANPLLCGQ-GHMZBOCLSA-N 0 0 283.799 3.675 20 10 CHCDRN Oc1cc2ccccc2cc1C[N@@H+]1CCCC[C@H](F)C1 ZINC001236825706 1131017012 /nfs/dbraw/zinc/01/70/12/1131017012.db2.gz CRTBWMKXSKTFCU-INIZCTEOSA-N 0 0 273.351 3.869 20 10 CHCDRN CN(Cc1cscn1)Cc1cc2ccccc2cc1O ZINC001236833059 1131019796 /nfs/dbraw/zinc/01/97/96/1131019796.db2.gz NPWCPFYDSFFXFU-UHFFFAOYSA-N 0 0 284.384 3.634 20 10 CHCDRN Oc1cc2ccccc2cc1CN1Cc2ncsc2C1 ZINC001236838143 1131019904 /nfs/dbraw/zinc/01/99/04/1131019904.db2.gz VZLQKTXVSJUQFX-UHFFFAOYSA-N 0 0 282.368 3.518 20 10 CHCDRN CC(C)c1ccc(C[N@@H+]2CC[C@](C)(CF)C2)c(O)c1 ZINC001237046654 1131039965 /nfs/dbraw/zinc/03/99/65/1131039965.db2.gz UWOCAHWFLVNMMI-MRXNPFEDSA-N 0 0 265.372 3.697 20 10 CHCDRN CC(C)c1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)c(O)c1 ZINC001237048836 1131041807 /nfs/dbraw/zinc/04/18/07/1131041807.db2.gz JDAAROFYTNYKOJ-CYBMUJFWSA-N 0 0 287.325 3.900 20 10 CHCDRN CC(C)c1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)C2)c(O)c1 ZINC001237048840 1131041887 /nfs/dbraw/zinc/04/18/87/1131041887.db2.gz JDAAROFYTNYKOJ-ZDUSSCGKSA-N 0 0 287.325 3.900 20 10 CHCDRN CN(Cc1cccs1)Cc1c(O)ccc(F)c1Cl ZINC001237124523 1131051791 /nfs/dbraw/zinc/05/17/91/1131051791.db2.gz NEZUGWCDYCIBEA-UHFFFAOYSA-N 0 0 285.771 3.878 20 10 CHCDRN CC[C@@H](C)[N@H+](C)Cc1c(O)cccc1OC(F)(F)F ZINC001237115046 1131052696 /nfs/dbraw/zinc/05/26/96/1131052696.db2.gz DTEDDFPNHGVMJN-SECBINFHSA-N 0 0 277.286 3.521 20 10 CHCDRN CC[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2Cl)C1 ZINC001237127404 1131055811 /nfs/dbraw/zinc/05/58/11/1131055811.db2.gz ZMFXMGSCJRGCCN-SNVBAGLBSA-N 0 0 271.763 3.807 20 10 CHCDRN C[C@H](c1ccco1)[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816485342 1131097579 /nfs/dbraw/zinc/09/75/79/1131097579.db2.gz JGAGWLAESYSWIW-SECBINFHSA-N 0 0 283.730 3.971 20 10 CHCDRN CC[N@H+](CCC(F)(F)F)Cc1cc(Cl)c(F)cc1[O-] ZINC000816499233 1131101783 /nfs/dbraw/zinc/10/17/83/1131101783.db2.gz JJMMMUUTZYFSPP-UHFFFAOYSA-N 0 0 299.695 3.959 20 10 CHCDRN Cc1cccc(C[N@@H+](C)Cc2ccc3ccccc3c2O)n1 ZINC000816514751 1131104255 /nfs/dbraw/zinc/10/42/55/1131104255.db2.gz GRFQRUVDNJSVDS-UHFFFAOYSA-N 0 0 292.382 3.881 20 10 CHCDRN Oc1c(CNc2ccccn2)ccc2ccccc21 ZINC000816537202 1131105050 /nfs/dbraw/zinc/10/50/50/1131105050.db2.gz WSXWRXSJKAWCHY-UHFFFAOYSA-N 0 0 250.301 3.553 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]CCc1ccsc1 ZINC000816532847 1131105287 /nfs/dbraw/zinc/10/52/87/1131105287.db2.gz YFLUPWJJULCPEM-UHFFFAOYSA-N 0 0 285.771 3.579 20 10 CHCDRN CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816539549 1131105664 /nfs/dbraw/zinc/10/56/64/1131105664.db2.gz KUSVVTCLDICJFK-DTWKUNHWSA-N 0 0 259.752 3.709 20 10 CHCDRN Cc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816531416 1131105841 /nfs/dbraw/zinc/10/58/41/1131105841.db2.gz QVNQQPJNKJMOJV-UHFFFAOYSA-N 0 0 279.742 3.783 20 10 CHCDRN C[C@H]([NH2+]CCc1ccc2[nH]ccc2c1)c1ccc(F)cc1[O-] ZINC000799729293 1131106067 /nfs/dbraw/zinc/10/60/67/1131106067.db2.gz SACFJCVLYWHKEU-LBPRGKRZSA-N 0 0 298.361 3.906 20 10 CHCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccccc1F ZINC000816529183 1131108392 /nfs/dbraw/zinc/10/83/92/1131108392.db2.gz JTODLQLWBUFABE-UHFFFAOYSA-N 0 0 283.705 3.614 20 10 CHCDRN Cc1ccc(NCc2cc(Cl)c(F)cc2O)c(C)n1 ZINC000816558262 1131111638 /nfs/dbraw/zinc/11/16/38/1131111638.db2.gz SIBUNCFHSHLYOU-UHFFFAOYSA-N 0 0 280.730 3.809 20 10 CHCDRN COc1ccc(N(C)Cc2ccsc2C)cc1OC ZINC000816569155 1131113343 /nfs/dbraw/zinc/11/33/43/1131113343.db2.gz BEZFYCXTXXMXEG-UHFFFAOYSA-N 0 0 277.389 3.710 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](F)CC1 ZINC001237616522 1131118287 /nfs/dbraw/zinc/11/82/87/1131118287.db2.gz FSHUHPCIBPBAHS-NSHDSACASA-N 0 0 275.726 3.509 20 10 CHCDRN [O-]c1c(F)cc(Cl)cc1C[NH+]1CC(c2ccccc2)C1 ZINC001237621849 1131118691 /nfs/dbraw/zinc/11/86/91/1131118691.db2.gz GXWAHGUQKMQZBZ-UHFFFAOYSA-N 0 0 291.753 3.784 20 10 CHCDRN CC(C)[NH+](Cc1cc(Cl)cc(F)c1[O-])C(C)C ZINC001237620766 1131118933 /nfs/dbraw/zinc/11/89/33/1131118933.db2.gz YCQIQJCGBHOFIY-UHFFFAOYSA-N 0 0 259.752 3.804 20 10 CHCDRN Cc1cc(O)c(C[NH+]2CCCCCC2)cc1Br ZINC001237676309 1131126290 /nfs/dbraw/zinc/12/62/90/1131126290.db2.gz IBVHXMOMDUHHBO-UHFFFAOYSA-N 0 0 298.224 3.839 20 10 CHCDRN Cc1cc(Cl)cc(CN2CC[C@@H](C)C(F)(F)C2)c1O ZINC001237681385 1131127466 /nfs/dbraw/zinc/12/74/66/1131127466.db2.gz OSZRYWNCMFLWDB-SNVBAGLBSA-N 0 0 289.753 3.831 20 10 CHCDRN CCC(CC)[N@H+](C)Cc1cc(F)cc(Cl)c1[O-] ZINC001237807011 1131142630 /nfs/dbraw/zinc/14/26/30/1131142630.db2.gz XXKWKYCNHSYWSY-UHFFFAOYSA-N 0 0 259.752 3.805 20 10 CHCDRN Cc1ccccc1CCC(=O)N[C@@H](C)c1ccccc1O ZINC000827978530 1131146220 /nfs/dbraw/zinc/14/62/20/1131146220.db2.gz WCJVVCIRLOPGME-AWEZNQCLSA-N 0 0 283.371 3.511 20 10 CHCDRN CS[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc(Cl)c2[O-])C1 ZINC001116482656 1131150372 /nfs/dbraw/zinc/15/03/72/1131150372.db2.gz KOVGQYIKXAHNDK-VXGBXAGGSA-N 0 0 285.840 3.762 20 10 CHCDRN [O-]c1cc(Cl)c(F)cc1C[NH+]1CC2CCC(CC2)C1 ZINC001237939634 1131152625 /nfs/dbraw/zinc/15/26/25/1131152625.db2.gz DZRNJLSNLVKSNC-UHFFFAOYSA-N 0 0 283.774 3.807 20 10 CHCDRN c1cc2c(c(NCc3ccc(N4CCCC4)cc3)c1)OCO2 ZINC001116535610 1131152976 /nfs/dbraw/zinc/15/29/76/1131152976.db2.gz GMZAKOBVMUPESE-UHFFFAOYSA-N 0 0 296.370 3.628 20 10 CHCDRN Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1O ZINC001238065825 1131167130 /nfs/dbraw/zinc/16/71/30/1131167130.db2.gz BJUHSKKXESYRQB-WFASDCNBSA-N 0 0 263.356 3.604 20 10 CHCDRN Cc1cc(F)cc(CN2CCC[C@@H]2c2nccs2)c1O ZINC001238071369 1131167727 /nfs/dbraw/zinc/16/77/27/1131167727.db2.gz VXUUTMLBDBJUPE-CYBMUJFWSA-N 0 0 292.379 3.633 20 10 CHCDRN CC[C@H]([NH2+]Cc1cc(C)nc(C)c1)c1ccc(C)cc1O ZINC000817588726 1131173706 /nfs/dbraw/zinc/17/37/06/1131173706.db2.gz JIXDOFBSKSFMGB-KRWDZBQOSA-N 0 0 284.403 3.953 20 10 CHCDRN Cc1c(C)n(C)c2ccc(OC(=O)C3CC(F)(F)C3)cc12 ZINC000817761885 1131183765 /nfs/dbraw/zinc/18/37/65/1131183765.db2.gz QHHGOTMVTONQSQ-UHFFFAOYSA-N 0 0 293.313 3.746 20 10 CHCDRN C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc(C(F)(F)F)c1[O-] ZINC000818357908 1131211807 /nfs/dbraw/zinc/21/18/07/1131211807.db2.gz BZTJJCNEZJWKMI-MMWGEVLESA-N 0 0 285.309 3.860 20 10 CHCDRN CC(=O)[C@@H](C)CCSc1ncc(-c2ccccc2)n1C ZINC001118470559 1131228176 /nfs/dbraw/zinc/22/81/76/1131228176.db2.gz ATCXLMWABITEPT-LBPRGKRZSA-N 0 0 288.416 3.794 20 10 CHCDRN CCCCC1(C(=O)NCc2ccc3cccnc3c2O)CC1 ZINC000823180751 1131416089 /nfs/dbraw/zinc/41/60/89/1131416089.db2.gz CHHCHKVGPQNEMG-UHFFFAOYSA-N 0 0 298.386 3.527 20 10 CHCDRN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001137837557 1131420943 /nfs/dbraw/zinc/42/09/43/1131420943.db2.gz LTDFHWKCKLGNPX-OAHLLOKOSA-N 0 0 285.362 3.911 20 10 CHCDRN [O-]c1cccc(F)c1C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001137838831 1131421399 /nfs/dbraw/zinc/42/13/99/1131421399.db2.gz LFSBCUXPEVVEKP-IUODEOHRSA-N 0 0 263.356 3.686 20 10 CHCDRN C[C@@H](NC(=O)[C@@]1(C)CC=CCC1)c1ccc(N(C)C)cc1 ZINC000829816372 1131435081 /nfs/dbraw/zinc/43/50/81/1131435081.db2.gz ACVYFKQVCZQIMX-KDOFPFPSSA-N 0 0 286.419 3.676 20 10 CHCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCC1(C)C ZINC000824234328 1131459931 /nfs/dbraw/zinc/45/99/31/1131459931.db2.gz IJKBGPAKGZTMRX-INIZCTEOSA-N 0 0 288.435 3.537 20 10 CHCDRN O=C(C1=CC(=O)CS1)N(C1CC1)[C@H]1CCc2ccccc21 ZINC000824290690 1131461866 /nfs/dbraw/zinc/46/18/66/1131461866.db2.gz UCTGVNARIYXKSS-HNNXBMFYSA-N 0 0 299.395 3.746 20 10 CHCDRN Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000824709899 1131479748 /nfs/dbraw/zinc/47/97/48/1131479748.db2.gz QKJJPWVRAJGZCU-CYBMUJFWSA-N 0 0 296.208 3.529 20 10 CHCDRN CC[N@H+](Cc1c2ccccc2n(C)c1C)Cc1ccncc1 ZINC001138252983 1131482109 /nfs/dbraw/zinc/48/21/09/1131482109.db2.gz YSUYJVSACATPHQ-UHFFFAOYSA-N 0 0 293.414 3.904 20 10 CHCDRN Cc1c(C[N@@H+]2CCC[C@@](C)(F)C2)c2ccccc2n1C ZINC001138252929 1131482368 /nfs/dbraw/zinc/48/23/68/1131482368.db2.gz XRKOVIGDWLDLFS-QGZVFWFLSA-N 0 0 274.383 3.811 20 10 CHCDRN C[C@]1(C[NH2+]Cc2cccc(Cl)c2[O-])CC1(Cl)Cl ZINC000824765909 1131482782 /nfs/dbraw/zinc/48/27/82/1131482782.db2.gz RDBFUMQGRGTROS-LLVKDONJSA-N 0 0 294.609 3.719 20 10 CHCDRN Cc1c(CN(C)Cc2nccs2)c2ccccc2n1C ZINC001138258345 1131483307 /nfs/dbraw/zinc/48/33/07/1131483307.db2.gz QTHHRMBYTKVVSV-UHFFFAOYSA-N 0 0 285.416 3.575 20 10 CHCDRN COc1ccc(N(Cc2cc(OC)ccn2)CC2CC2)cc1 ZINC000831587516 1131491296 /nfs/dbraw/zinc/49/12/96/1131491296.db2.gz CIWWZMRJVCVWIU-UHFFFAOYSA-N 0 0 298.386 3.515 20 10 CHCDRN Cc1ccc(NC(=O)N2CCc3cccc(O)c3C2)cc1C ZINC001202823856 1131496879 /nfs/dbraw/zinc/49/68/79/1131496879.db2.gz XNAUZIXBEBABAW-UHFFFAOYSA-N 0 0 296.370 3.599 20 10 CHCDRN Cc1cc(C)c(CNC(=O)Nc2ccc(C)c(C)c2)c(O)c1 ZINC001202836294 1131515229 /nfs/dbraw/zinc/51/52/29/1131515229.db2.gz PZKYLUPTAPWJSK-UHFFFAOYSA-N 0 0 298.386 3.948 20 10 CHCDRN COc1ccc(N(C)CCCCC(F)(F)F)cc1 ZINC000844353513 1131553811 /nfs/dbraw/zinc/55/38/11/1131553811.db2.gz XGBKBAZHOOHLBG-UHFFFAOYSA-N 0 0 261.287 3.864 20 10 CHCDRN C/C=C(\C)C(=O)N(Cc1ccccc1)c1ccc(N)cc1 ZINC001143943757 1131557229 /nfs/dbraw/zinc/55/72/29/1131557229.db2.gz KIIBELQGSQJZBQ-LZWSPWQCSA-N 0 0 280.371 3.768 20 10 CHCDRN CCc1cccc(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001202888979 1131577291 /nfs/dbraw/zinc/57/72/91/1131577291.db2.gz PTVBJTXCMNFLIS-GFCCVEGCSA-N 0 0 284.359 3.837 20 10 CHCDRN Cc1cc(C(=O)N2CC(C)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001139590329 1131618424 /nfs/dbraw/zinc/61/84/24/1131618424.db2.gz PWVALMYEFUZYAY-UHFFFAOYSA-N 0 0 296.414 3.803 20 10 CHCDRN Cc1cccc2c1CC[N@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139685872 1131628761 /nfs/dbraw/zinc/62/87/61/1131628761.db2.gz ZMZFPKFYKIRCMB-UHFFFAOYSA-N 0 0 289.325 3.537 20 10 CHCDRN C[N@H+](Cc1ccccc1O)Cc1ccccc1C(F)F ZINC001139799992 1131637738 /nfs/dbraw/zinc/63/77/38/1131637738.db2.gz BTXUUQYIBORRCM-UHFFFAOYSA-N 0 0 277.314 3.962 20 10 CHCDRN COc1ccc(N(C)Cc2scnc2C2CC2)cc1 ZINC000845998829 1131676456 /nfs/dbraw/zinc/67/64/56/1131676456.db2.gz QSGRPMNZSRSITP-UHFFFAOYSA-N 0 0 274.389 3.666 20 10 CHCDRN COc1cccc([C@@H](C)Nc2cc(F)ccc2OC)c1O ZINC000846159864 1131692030 /nfs/dbraw/zinc/69/20/30/1131692030.db2.gz KLBQVRLULOBLEI-SNVBAGLBSA-N 0 0 291.322 3.722 20 10 CHCDRN COc1cccc([C@@H](C)Nc2ccc(F)cc2OC)c1O ZINC000846157236 1131692246 /nfs/dbraw/zinc/69/22/46/1131692246.db2.gz BRXOJBQNTUZLPM-SNVBAGLBSA-N 0 0 291.322 3.722 20 10 CHCDRN COc1ccc(N[C@@H](C)c2cccc(OC)c2O)cc1 ZINC000846157841 1131692266 /nfs/dbraw/zinc/69/22/66/1131692266.db2.gz GNJORHGREUPAKZ-NSHDSACASA-N 0 0 273.332 3.583 20 10 CHCDRN COc1cccc([C@@H](C)Nc2cscc2C)c1O ZINC000846161428 1131692782 /nfs/dbraw/zinc/69/27/82/1131692782.db2.gz YVUREXVRHXOVRT-SNVBAGLBSA-N 0 0 263.362 3.944 20 10 CHCDRN COc1cccc([C@H](C)Nc2ccc(N(C)C)cc2)c1O ZINC000846160943 1131692940 /nfs/dbraw/zinc/69/29/40/1131692940.db2.gz XKJFGRJGNFIBDS-LBPRGKRZSA-N 0 0 286.375 3.640 20 10 CHCDRN CCc1c(N[C@@H]2CCc3cccc(O)c32)cnn1CC(C)C ZINC000834733657 1131698776 /nfs/dbraw/zinc/69/87/76/1131698776.db2.gz QZBNGJIEDKRBJA-CQSZACIVSA-N 0 0 299.418 3.907 20 10 CHCDRN C[C@]1(CF)CC(F)(F)CN1Cc1c(O)cccc1Cl ZINC001140337883 1131702169 /nfs/dbraw/zinc/70/21/69/1131702169.db2.gz LHNVCZRCUHPANX-GFCCVEGCSA-N 0 0 293.716 3.615 20 10 CHCDRN CC[C@@H](Nc1cc(COC)ccn1)c1ccc(C)cc1O ZINC000846211341 1131703683 /nfs/dbraw/zinc/70/36/83/1131703683.db2.gz DGINMBBVJTYCDB-OAHLLOKOSA-N 0 0 286.375 3.805 20 10 CHCDRN Oc1cccc2c1[C@H]([NH2+]Cc1c(F)cc(F)cc1F)CC2 ZINC000834810316 1131706525 /nfs/dbraw/zinc/70/65/25/1131706525.db2.gz BQMQEXPHEPYTAP-CQSZACIVSA-N 0 0 293.288 3.587 20 10 CHCDRN CC[C@@H](N[C@H](C)c1ccc(C)c(C)c1O)C(F)F ZINC000834828537 1131707519 /nfs/dbraw/zinc/70/75/19/1131707519.db2.gz VFOYNEYJHHTXLU-ZYHUDNBSSA-N 0 0 257.324 3.703 20 10 CHCDRN Cc1csc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000834884194 1131718024 /nfs/dbraw/zinc/71/80/24/1131718024.db2.gz WWHDLSUVRXEVFM-SNVBAGLBSA-N 0 0 292.360 3.521 20 10 CHCDRN CC[C@H]([NH2+][C@H](C)c1nccn1CC)c1ccc(F)cc1[O-] ZINC000834896362 1131722430 /nfs/dbraw/zinc/72/24/30/1131722430.db2.gz VJYVWELBPOGSJD-RISCZKNCSA-N 0 0 291.370 3.550 20 10 CHCDRN CCc1nc(CN[C@@H](C)c2cc(Cl)cc(C)c2O)co1 ZINC000834896414 1131722457 /nfs/dbraw/zinc/72/24/57/1131722457.db2.gz AVXZSIBCRKJCOD-JTQLQIEISA-N 0 0 294.782 3.755 20 10 CHCDRN CCCc1ncc(C[NH2+][C@H](CC)c2ccc(F)cc2[O-])o1 ZINC000834901285 1131724646 /nfs/dbraw/zinc/72/46/46/1131724646.db2.gz ZAFYNYPCLYTSJC-CQSZACIVSA-N 0 0 292.354 3.713 20 10 CHCDRN CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1cccc(Cl)c1[O-] ZINC000834903308 1131727198 /nfs/dbraw/zinc/72/71/98/1131727198.db2.gz HJNLBKXOVQJAHF-ZDUSSCGKSA-N 0 0 299.842 3.883 20 10 CHCDRN CN(C[C@H]1CCCOC1)c1ccc(-c2nccs2)cc1 ZINC000846750037 1131728832 /nfs/dbraw/zinc/72/88/32/1131728832.db2.gz LKZAGDZBSIRGGL-CYBMUJFWSA-N 0 0 288.416 3.673 20 10 CHCDRN CC[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc(F)cc1[O-] ZINC000834909832 1131730050 /nfs/dbraw/zinc/73/00/50/1131730050.db2.gz MHCOOPQOOILOHN-WFASDCNBSA-N 0 0 295.398 3.777 20 10 CHCDRN CC[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cc(Cl)ccc1O ZINC000834915689 1131733498 /nfs/dbraw/zinc/73/34/98/1131733498.db2.gz RXJOFPDZAWVASF-QKCSRTOESA-N 0 0 283.799 3.654 20 10 CHCDRN C[C@H](Nc1cccc(CCO)c1)c1cc(Cl)ccc1O ZINC000834914270 1131733953 /nfs/dbraw/zinc/73/39/53/1131733953.db2.gz SXQSWFJBUILITD-NSHDSACASA-N 0 0 291.778 3.754 20 10 CHCDRN Cc1cc([C@@H]2CCCN2Cc2ccc(Cl)cc2O)no1 ZINC001140461838 1131748987 /nfs/dbraw/zinc/74/89/87/1131748987.db2.gz VEJLJFZODDVSFP-AWEZNQCLSA-N 0 0 292.766 3.679 20 10 CHCDRN CN(C)c1ccc(/C=C\CN[C@@H](C2CC2)C(F)(F)F)cc1 ZINC000835055460 1131766411 /nfs/dbraw/zinc/76/64/11/1131766411.db2.gz JYEDGRMUZWHMMF-JZIMQPMSSA-N 0 0 298.352 3.696 20 10 CHCDRN CC(C)n1ccc(NC/C=C/c2ccc(N(C)C)cc2)n1 ZINC000835051233 1131766598 /nfs/dbraw/zinc/76/65/98/1131766598.db2.gz INACUTVMPTVZTO-AATRIKPKSA-N 0 0 284.407 3.655 20 10 CHCDRN CO[C@H](CN(C)c1ccc(-c2nccs2)cc1)C1CC1 ZINC000846992775 1131767091 /nfs/dbraw/zinc/76/70/91/1131767091.db2.gz MQTNZHWDFRQJBX-OAHLLOKOSA-N 0 0 288.416 3.671 20 10 CHCDRN CC(C)OCCN(C)c1ccc(-c2nccs2)cc1 ZINC000846994324 1131768643 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0 0 290.323 3.518 20 10 CHCDRN CC[C@@H]1c2ccccc2CCN1C(=O)Nc1ccc(N)cc1 ZINC000841296149 1132341214 /nfs/dbraw/zinc/34/12/14/1132341214.db2.gz PETVTLKQMNWCKK-QGZVFWFLSA-N 0 0 295.386 3.810 20 10 CHCDRN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)Nc1ccc(N)cc1 ZINC000841300414 1132344200 /nfs/dbraw/zinc/34/42/00/1132344200.db2.gz RGQDTGBYHBPQCJ-FZMZJTMJSA-N 0 0 275.396 3.605 20 10 CHCDRN Cc1cccc([C@@H]2CCCN2C(=O)Nc2ccc(N)cc2)c1 ZINC000841301310 1132344293 /nfs/dbraw/zinc/34/42/93/1132344293.db2.gz KOOOXEFNZNTQNB-KRWDZBQOSA-N 0 0 295.386 3.946 20 10 CHCDRN Cc1ccccc1[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841301417 1132344466 /nfs/dbraw/zinc/34/44/66/1132344466.db2.gz OHEIOZVUYLUAKO-AWEZNQCLSA-N 0 0 295.386 3.599 20 10 CHCDRN CC[C@H]1CCCC[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000841300567 1132344891 /nfs/dbraw/zinc/34/48/91/1132344891.db2.gz WGJQFBOEAKGCRX-STQMWFEESA-N 0 0 275.396 3.607 20 10 CHCDRN Cc1cc(O)c(C[N@@H+]2CCC[C@@H](F)CC2)cc1Cl ZINC001231868658 1132383589 /nfs/dbraw/zinc/38/35/89/1132383589.db2.gz 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WJRWMGCCAFSYCY-INIZCTEOSA-N 0 0 284.334 3.644 20 10 CHCDRN Cc1ccc(N2CCC(Oc3ccc(N)cc3)CC2)cc1 ZINC001217971809 1135033413 /nfs/dbraw/zinc/03/34/13/1135033413.db2.gz LDNUVQUWEOQVHQ-UHFFFAOYSA-N 0 0 282.387 3.625 20 10 CHCDRN Nc1ccc(O[C@H]2CC[C@@H](OCc3ccccc3)C2)cc1 ZINC001218482451 1135112551 /nfs/dbraw/zinc/11/25/51/1135112551.db2.gz VKCHWHRJDJWZHV-MSOLQXFVSA-N 0 0 283.371 3.786 20 10 CHCDRN Nc1ccc(O[C@@H]2CC[C@@H](OCc3ccccc3)C2)cc1 ZINC001218482453 1135112603 /nfs/dbraw/zinc/11/26/03/1135112603.db2.gz VKCHWHRJDJWZHV-QZTJIDSGSA-N 0 0 283.371 3.786 20 10 CHCDRN C[C@@H](NC(=O)NC[C@@H]1CCC[C@H](C)C1)c1ccccc1O ZINC001221467936 1135174883 /nfs/dbraw/zinc/17/48/83/1135174883.db2.gz ZWZFTSVZZJCEAD-BFHYXJOUSA-N 0 0 290.407 3.579 20 10 CHCDRN C[C@@H](NCc1ccc(N(C)C)cc1)c1c(F)cccc1F ZINC000020146049 171031997 /nfs/dbraw/zinc/03/19/97/171031997.db2.gz AIISBDGCBCAKNW-GFCCVEGCSA-N 0 0 290.357 3.882 20 10 CHCDRN Nc1ccc(Nc2ccc(Br)cc2F)cc1 ZINC000020585215 171258776 /nfs/dbraw/zinc/25/87/76/171258776.db2.gz MMKUHUZYGCBBTI-UHFFFAOYSA-N 0 0 281.128 3.914 20 10 CHCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CCc1ccco1 ZINC000035661616 172339324 /nfs/dbraw/zinc/33/93/24/172339324.db2.gz LYZQGOIQXYBNQD-UHFFFAOYSA-N 0 0 286.158 3.624 20 10 CHCDRN C[C@H](CCC1CCCCC1)NC(=O)Cc1ccc(N)cc1 ZINC000159164624 261179859 /nfs/dbraw/zinc/17/98/59/261179859.db2.gz IUROERRKANJYMF-CQSZACIVSA-N 0 0 288.435 3.677 20 10 CHCDRN Cc1cc(NC(=O)Cc2ccc(N)cc2)ccc1OC(C)C ZINC000160902749 261230844 /nfs/dbraw/zinc/23/08/44/261230844.db2.gz YDEWJCLJTHYKFR-UHFFFAOYSA-N 0 0 298.386 3.546 20 10 CHCDRN CC(C)c1ccc(N(C)C(=O)Cc2ccc(N)cc2)cc1 ZINC000161457683 261247878 /nfs/dbraw/zinc/24/78/78/261247878.db2.gz RIEWSURPEGZYSH-UHFFFAOYSA-N 0 0 282.387 3.598 20 10 CHCDRN CN(C(=O)/C=C/c1cncs1)c1ccc(Cl)cc1F ZINC000493373128 262150075 /nfs/dbraw/zinc/15/00/75/262150075.db2.gz UCJGKBALWDTALK-HWKANZROSA-N 0 0 296.754 3.612 20 10 CHCDRN Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)c2nccs2)c1 ZINC000186727332 262322260 /nfs/dbraw/zinc/32/22/60/262322260.db2.gz QHJJXZNQKUQFKX-VXGBXAGGSA-N 0 0 276.405 3.611 20 10 CHCDRN CCN(CC)c1ccc(CNc2ccccc2CO)cc1 ZINC000057731697 262349450 /nfs/dbraw/zinc/34/94/50/262349450.db2.gz LOXFIEWMBQQVKC-UHFFFAOYSA-N 0 0 284.403 3.637 20 10 CHCDRN CC(=O)N(c1ccc(NCc2ccccc2O)cc1)C1CC1 ZINC000293054382 263137367 /nfs/dbraw/zinc/13/73/67/263137367.db2.gz RUIBLUVRGXBJNL-UHFFFAOYSA-N 0 0 296.370 3.520 20 10 CHCDRN CC[C@H]([NH2+]CC1CC(F)(F)C1)c1ccc(F)cc1[O-] ZINC000293827252 263150505 /nfs/dbraw/zinc/15/05/05/263150505.db2.gz WJJGTRUJCGPXES-LBPRGKRZSA-N 0 0 273.298 3.617 20 10 CHCDRN CSCCCCCC[NH2+]Cc1cccc(F)c1[O-] ZINC000230391775 329366815 /nfs/dbraw/zinc/36/68/15/329366815.db2.gz LPMLZRCUTHPMOF-UHFFFAOYSA-N 0 0 271.401 3.544 20 10 CHCDRN CCCC[C@@H](CC)C(=O)N(C)Cc1ccccc1O ZINC000268610654 330066135 /nfs/dbraw/zinc/06/61/35/330066135.db2.gz HGAYYMKPTWLRRG-CYBMUJFWSA-N 0 0 263.381 3.567 20 10 CHCDRN C[C@H]([NH2+]CC1CC=CC1)c1ccc(Cl)cc1[O-] ZINC000527948601 330294349 /nfs/dbraw/zinc/29/43/49/330294349.db2.gz MAUSZVCFGLNPSG-JTQLQIEISA-N 0 0 251.757 3.662 20 10 CHCDRN COc1ccc(O)c([C@H](C)Nc2cccc3c2OCC3)c1 ZINC000527958595 330294982 /nfs/dbraw/zinc/29/49/82/330294982.db2.gz GVFNMUPUJNKXDV-NSHDSACASA-N 0 0 285.343 3.509 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C)C1CCC1 ZINC000457767879 331233755 /nfs/dbraw/zinc/23/37/55/331233755.db2.gz PTTNGKLFOFJGQJ-LBPRGKRZSA-N 0 0 284.403 3.539 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCC[C@H]1C ZINC000471226098 331503946 /nfs/dbraw/zinc/50/39/46/331503946.db2.gz BJQSZDZXQVKGGX-OCCSQVGLSA-N 0 0 284.403 3.539 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000471237832 331504476 /nfs/dbraw/zinc/50/44/76/331504476.db2.gz DOIKSHLZIFPOIM-TZMCWYRMSA-N 0 0 284.403 3.539 20 10 CHCDRN Cc1c2ccccc2n(C)c1CNc1cc(C)ccn1 ZINC000490038122 332077811 /nfs/dbraw/zinc/07/78/11/332077811.db2.gz JMXRIAVMMTZHCG-UHFFFAOYSA-N 0 0 265.360 3.802 20 10 CHCDRN CC(C)(C)[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000236652886 333374457 /nfs/dbraw/zinc/37/44/57/333374457.db2.gz ZQIYUDZIAFECEP-SFHVURJKSA-N 0 0 296.414 3.715 20 10 CHCDRN CCOc1cc(NCc2cc(C)ccc2O)ccc1OC ZINC000071407700 520761495 /nfs/dbraw/zinc/76/14/95/520761495.db2.gz WERGDRHEZVKGMP-UHFFFAOYSA-N 0 0 287.359 3.720 20 10 CHCDRN CCCCOc1ccccc1NC(=O)Cc1ccc(N)cc1 ZINC000066153894 520913173 /nfs/dbraw/zinc/91/31/73/520913173.db2.gz TWEVQOVBWIGSEL-UHFFFAOYSA-N 0 0 298.386 3.629 20 10 CHCDRN CCC(C)(C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000263826047 521263158 /nfs/dbraw/zinc/26/31/58/521263158.db2.gz ZQIVQAZPGNZPJS-UHFFFAOYSA-N 0 0 288.435 3.680 20 10 CHCDRN COc1cc(C)c(NCc2cccc(C)c2O)cc1OC ZINC000158036893 522217453 /nfs/dbraw/zinc/21/74/53/522217453.db2.gz AQPJNJJUAUBRMZ-UHFFFAOYSA-N 0 0 287.359 3.638 20 10 CHCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000276747454 523382795 /nfs/dbraw/zinc/38/27/95/523382795.db2.gz LHJSLWPRHIOJMV-CQSZACIVSA-N 0 0 290.407 3.502 20 10 CHCDRN COc1ccc(N(C)Cc2csc(Cl)n2)cc1F ZINC000296800223 524355782 /nfs/dbraw/zinc/35/57/82/524355782.db2.gz PAAKXBMUHGHZGH-UHFFFAOYSA-N 0 0 286.759 3.581 20 10 CHCDRN Cc1cc(CSc2ncc(C(C)(C)C)s2)ncn1 ZINC000291637690 524819039 /nfs/dbraw/zinc/81/90/39/524819039.db2.gz JPBAVWWIORBELO-UHFFFAOYSA-N 0 0 279.434 3.831 20 10 CHCDRN Cc1cc(Cl)cc(CNc2cn(C)nc2C2CC2)c1O ZINC000291376906 524874356 /nfs/dbraw/zinc/87/43/56/524874356.db2.gz ZWMOTLRYUMNMDP-UHFFFAOYSA-N 0 0 291.782 3.577 20 10 CHCDRN C[C@H]([NH2+]CCC(C)(C)O)c1ccc(Cl)c(Cl)c1[O-] ZINC000274757287 525326580 /nfs/dbraw/zinc/32/65/80/525326580.db2.gz CPCXHMSCIOKEHF-QMMMGPOBSA-N 0 0 292.206 3.511 20 10 CHCDRN C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000276971353 525458066 /nfs/dbraw/zinc/45/80/66/525458066.db2.gz UFTVRODYWZLAGC-IJLUTSLNSA-N 0 0 299.361 3.526 20 10 CHCDRN C[C@@H]([NH2+][C@@H]1CCCc2occc21)c1ccc(F)cc1[O-] ZINC000062745431 525641507 /nfs/dbraw/zinc/64/15/07/525641507.db2.gz WRONREOHNYVWBM-QMTHXVAHSA-N 0 0 275.323 3.853 20 10 CHCDRN C[C@@H]([NH2+][C@H]1CCc2c1cccc2O)c1ccc(F)cc1[O-] ZINC000273462317 525690251 /nfs/dbraw/zinc/69/02/51/525690251.db2.gz CZPWHMVYGDVTQG-BMIGLBTASA-N 0 0 287.334 3.575 20 10 CHCDRN Cc1nc(CN(C)c2ccc(OC(C)C)cc2)oc1C ZINC000191600254 526847605 /nfs/dbraw/zinc/84/76/05/526847605.db2.gz AUPMIUZCDBDLHA-UHFFFAOYSA-N 0 0 274.364 3.715 20 10 CHCDRN CC(C)c1nsc(N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000302419174 528518516 /nfs/dbraw/zinc/51/85/16/528518516.db2.gz NUNWAZVXUCVYON-LLVKDONJSA-N 0 0 290.436 3.901 20 10 CHCDRN