smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1CO[C@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761407 1016393975 /nfs/dbraw/zinc/39/39/75/1016393975.db2.gz QOYMJSSBNSZNSD-CYBMUJFWSA-N -1 1 333.815 3.576 20 10 EHCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000078005181 1018945101 /nfs/dbraw/zinc/94/51/01/1018945101.db2.gz XGXOMOPTZXWCBE-UHFFFAOYSA-N -1 1 331.315 3.520 20 10 EHCDMM C[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])c1noc(Cc2ccccc2)n1 ZINC000185666748 1126975834 /nfs/dbraw/zinc/97/58/34/1126975834.db2.gz ZDUHZGVEUKPVGH-QWHCGFSZSA-N -1 1 341.386 3.917 20 10 EHCDMM CCC[C@@H](CC)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764770229 1127531600 /nfs/dbraw/zinc/53/16/00/1127531600.db2.gz YIHQHAFNPPXZBC-LLVKDONJSA-N -1 1 329.238 3.533 20 10 EHCDMM [O-]c1c(Br)cccc1CNc1noc(-c2ccccc2)n1 ZINC000764933926 1127555100 /nfs/dbraw/zinc/55/51/00/1127555100.db2.gz FYFIXYWUWGNTJD-UHFFFAOYSA-N -1 1 346.184 3.817 20 10 EHCDMM CC[C@H](C)[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC001670803955 1120265390 /nfs/dbraw/zinc/26/53/90/1120265390.db2.gz FUUCDBHAAQPMJB-QPUJVOFHSA-N -1 1 338.757 3.822 20 10 EHCDMM COc1ccc(N[C@@H](C)c2cc(Br)c(F)cc2[O-])cn1 ZINC000785566048 1133727820 /nfs/dbraw/zinc/72/78/20/1133727820.db2.gz BQVLMVYYMGOVRI-QMMMGPOBSA-N -1 1 341.180 3.871 20 10 EHCDMM COCCn1c2ccccc2nc1NCc1c([O-])ccc(Cl)c1F ZINC000790245176 1134384833 /nfs/dbraw/zinc/38/48/33/1134384833.db2.gz GTQQKVUSTWKADK-UHFFFAOYSA-N -1 1 349.793 3.793 20 10 EHCDMM O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)C1CCC1 ZINC001188097426 1134428085 /nfs/dbraw/zinc/42/80/85/1134428085.db2.gz IRMROCIERMNXAN-UHFFFAOYSA-N -1 1 349.839 3.865 20 10 EHCDMM CC[C@@H](N[C@H](C)c1nncn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775498709 1134964374 /nfs/dbraw/zinc/96/43/74/1134964374.db2.gz NHQSXVJBKRAQMJ-LDYMZIIASA-N -1 1 329.231 3.629 20 10 EHCDMM CC[C@@H]1CCCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000793967535 1135008553 /nfs/dbraw/zinc/00/85/53/1135008553.db2.gz CJGBISACHHXDSV-YPMHNXCESA-N -1 1 340.261 3.987 20 10 EHCDMM Cc1ccccc1CC(C)(C)NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193247300 1135118391 /nfs/dbraw/zinc/11/83/91/1135118391.db2.gz TYZZESCRNSMMKA-UHFFFAOYSA-N -1 1 333.815 3.811 20 10 EHCDMM CC[C@H](Nc1cccc(C(N)=O)c1OC)c1cccc(Cl)c1[O-] ZINC000806158805 1135404043 /nfs/dbraw/zinc/40/40/43/1135404043.db2.gz RRRLTNJCQIPDBB-ZDUSSCGKSA-N -1 1 334.803 3.716 20 10 EHCDMM CCN(C)C(=O)c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000808424227 1135659718 /nfs/dbraw/zinc/65/97/18/1135659718.db2.gz UYUXPKDNENAGDO-UHFFFAOYSA-N -1 1 336.794 3.889 20 10 EHCDMM C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)[C@H]1C(=O)[O-] ZINC000818631779 1136886589 /nfs/dbraw/zinc/88/65/89/1136886589.db2.gz PVMIEZYIXYAZFZ-AUUYWEPGSA-N -1 1 325.408 3.744 20 10 EHCDMM Cc1c(NCc2c([O-])ccc(Cl)c2F)cnn1C1CCOCC1 ZINC000824516449 1137140649 /nfs/dbraw/zinc/14/06/49/1137140649.db2.gz LYQOXDRTURQWRF-UHFFFAOYSA-N -1 1 339.798 3.653 20 10 EHCDMM C[C@@H](C(=O)[O-])[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC000864510627 1137231040 /nfs/dbraw/zinc/23/10/40/1137231040.db2.gz YDOACJDHYJSGAK-KZULUSFZSA-N -1 1 348.393 3.582 20 10 EHCDMM C[C@@H](NC(=O)NCc1ccc([O-])c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000872977448 1137587338 /nfs/dbraw/zinc/58/73/38/1137587338.db2.gz YINCEAJYSVWBKK-GFCCVEGCSA-N -1 1 347.846 3.672 20 10 EHCDMM [O-]c1c(F)cc(Br)cc1CNc1cnn(CC2CC2)c1 ZINC000883078688 1137843649 /nfs/dbraw/zinc/84/36/49/1137843649.db2.gz ZSBXEHXBXLDQDO-UHFFFAOYSA-N -1 1 340.196 3.512 20 10 EHCDMM CC[C@H](C)NC(=O)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883141931 1137846170 /nfs/dbraw/zinc/84/61/70/1137846170.db2.gz SJCMICKKYQHVCO-NSHDSACASA-N -1 1 334.366 3.811 20 10 EHCDMM COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1cccc(Cl)c1[O-])N2 ZINC000106899815 1137884990 /nfs/dbraw/zinc/88/49/90/1137884990.db2.gz PBTPJMQAGFSARK-KRWDZBQOSA-N -1 1 344.798 3.783 20 10 EHCDMM O=C([O-])c1sccc1CN(Cc1ccco1)Cc1ccccc1O ZINC000833347630 601825967 /nfs/dbraw/zinc/82/59/67/601825967.db2.gz OABZPLDCILPBKM-UHFFFAOYSA-N -1 1 343.404 3.947 20 10 EHCDMM Cc1oc(CN(C)Cc2ccc(N3CCCCC3)cc2)cc1C(=O)[O-] ZINC001353896642 962665987 /nfs/dbraw/zinc/66/59/87/962665987.db2.gz MXSXEAICCXDDFA-UHFFFAOYSA-N -1 1 342.439 3.909 20 10 EHCDMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001589616354 987478991 /nfs/dbraw/zinc/47/89/91/987478991.db2.gz XVERQCVUXNKVHZ-MRXNPFEDSA-N -1 1 327.424 3.868 20 10 EHCDMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001589616354 987478994 /nfs/dbraw/zinc/47/89/94/987478994.db2.gz XVERQCVUXNKVHZ-MRXNPFEDSA-N -1 1 327.424 3.868 20 10 EHCDMM CCc1oc(CNCc2ccc(N(CC)CC)c(F)c2)cc1C(=O)[O-] ZINC001597806093 989418174 /nfs/dbraw/zinc/41/81/74/989418174.db2.gz XIRGUYWUIGBOPC-UHFFFAOYSA-N -1 1 348.418 3.815 20 10 EHCDMM C[C@H]1CCC[C@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001594346014 999310808 /nfs/dbraw/zinc/31/08/08/999310808.db2.gz KQAADAMZSOMEGY-STQMWFEESA-N -1 1 325.836 3.759 20 10 EHCDMM C[C@H]1CCC[C@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001594346014 999310812 /nfs/dbraw/zinc/31/08/12/999310812.db2.gz KQAADAMZSOMEGY-STQMWFEESA-N -1 1 325.836 3.759 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000890761092 1016390064 /nfs/dbraw/zinc/39/00/64/1016390064.db2.gz KMLUDFNLOQNWFI-UHOFOFEASA-N -1 1 348.229 3.901 20 10 EHCDMM CCOc1cccc(CCC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000890763352 1016420406 /nfs/dbraw/zinc/42/04/06/1016420406.db2.gz SWXJBMYZIMRLSI-UHFFFAOYSA-N -1 1 333.815 3.693 20 10 EHCDMM COC(=O)[C@@H](C)Cc1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000894464788 1022327402 /nfs/dbraw/zinc/32/74/02/1022327402.db2.gz SMIWKHWNMYJAJH-NSHDSACASA-N -1 1 335.350 3.634 20 10 EHCDMM Cc1nc(C2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)no1 ZINC000092787774 1030518707 /nfs/dbraw/zinc/51/87/07/1030518707.db2.gz MBQNMXBSXNUMIB-UHFFFAOYSA-N -1 1 342.226 3.770 20 10 EHCDMM [O-]c1cc(Br)cc(F)c1CN1CC(c2ccccc2)C1 ZINC001233032164 1036277181 /nfs/dbraw/zinc/27/71/81/1036277181.db2.gz VMVRFLCOLDPJGI-UHFFFAOYSA-N -1 1 336.204 3.893 20 10 EHCDMM CC(C)(C)CCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764782597 1127533826 /nfs/dbraw/zinc/53/38/26/1127533826.db2.gz GHNPUDPKRVFVHB-UHFFFAOYSA-N -1 1 343.265 3.780 20 10 EHCDMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])c1ccsc1 ZINC000765727366 1127744356 /nfs/dbraw/zinc/74/43/56/1127744356.db2.gz MXFQCRQQTDASOF-VIFPVBQESA-N -1 1 340.242 3.636 20 10 EHCDMM C[C@H](CC1CCCC1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765747605 1127765957 /nfs/dbraw/zinc/76/59/57/1127765957.db2.gz PXTRLMBUCGKHTD-LLVKDONJSA-N -1 1 340.261 3.987 20 10 EHCDMM CC1(C)CC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765767797 1128107810 /nfs/dbraw/zinc/10/78/10/1128107810.db2.gz FBCPLUWAQNUMKA-JTQLQIEISA-N -1 1 326.234 3.597 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccoc1C1CC1 ZINC000282431145 1129797301 /nfs/dbraw/zinc/79/73/01/1129797301.db2.gz RSDRQHPKXMWFCB-UHFFFAOYSA-N -1 1 336.185 3.555 20 10 EHCDMM COc1ccccc1CN(C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768163896 1133103136 /nfs/dbraw/zinc/10/31/36/1133103136.db2.gz TVSKVHLSDWZIDT-UHFFFAOYSA-N -1 1 336.775 3.594 20 10 EHCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H]2c2ccccn2)c1[O-] ZINC000768354868 1133128309 /nfs/dbraw/zinc/12/83/09/1133128309.db2.gz KCKHKWSEOPZCCV-AWEZNQCLSA-N -1 1 333.775 3.686 20 10 EHCDMM O=C(NC1CCC(c2ccccc2)CC1)c1c([O-])c(O)ccc1F ZINC000789954864 1134350887 /nfs/dbraw/zinc/35/08/87/1134350887.db2.gz OEFVJFVXNNGTSW-UHFFFAOYSA-N -1 1 329.371 3.693 20 10 EHCDMM COc1cc(Cl)c(Cl)cc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170321662 1134747227 /nfs/dbraw/zinc/74/72/27/1134747227.db2.gz CDUSRQOOYCZMPK-UHFFFAOYSA-N -1 1 342.178 3.708 20 10 EHCDMM O=C(Nc1ccccc1OCC1CC1)c1ccc(O)c([O-])c1Cl ZINC001193230563 1135120034 /nfs/dbraw/zinc/12/00/34/1135120034.db2.gz VGBIXODWRRZWSJ-UHFFFAOYSA-N -1 1 333.771 3.792 20 10 EHCDMM CC(=O)c1cc(Cl)cc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)c1[O-] ZINC000810026892 1135911711 /nfs/dbraw/zinc/91/17/11/1135911711.db2.gz XNHZGYNDYVNJAE-NVXWUHKLSA-N -1 1 337.847 3.638 20 10 EHCDMM C[C@H](N[C@H]1C[C@@H](C)n2ncnc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000850499130 1136272047 /nfs/dbraw/zinc/27/20/47/1136272047.db2.gz JVHLQVIYFFXHGN-FYBVGQRMSA-N -1 1 327.215 3.647 20 10 EHCDMM CCOC(=O)c1cc(COC)cc(NCc2cccc(Cl)c2[O-])c1 ZINC000814176468 1136411639 /nfs/dbraw/zinc/41/16/39/1136411639.db2.gz QHHSTXDGOMMBAE-UHFFFAOYSA-N -1 1 349.814 3.981 20 10 EHCDMM CC[C@@H]1CCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000814179084 1136412112 /nfs/dbraw/zinc/41/21/12/1136412112.db2.gz PIYJXVSSMYJFHC-SNVBAGLBSA-N -1 1 349.066 3.902 20 10 EHCDMM Cc1nnc(-c2cccc(NCc3cc(Cl)c(F)cc3[O-])c2)n1C ZINC000816527235 1136734127 /nfs/dbraw/zinc/73/41/27/1136734127.db2.gz BBUCPVFBYVEHTD-UHFFFAOYSA-N -1 1 346.793 3.901 20 10 EHCDMM C[S@](=O)Cc1ccccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816570203 1136738046 /nfs/dbraw/zinc/73/80/46/1136738046.db2.gz MMAHXRUGZKBGIL-NRFANRHFSA-N -1 1 327.808 3.675 20 10 EHCDMM O=C([N-]Cc1cc(Cl)ccc1O)C(F)(F)c1c(F)cccc1F ZINC000857547594 1136882165 /nfs/dbraw/zinc/88/21/65/1136882165.db2.gz LLXSUQBFWQUUHH-UHFFFAOYSA-N -1 1 347.695 3.732 20 10 EHCDMM C[C@@H](CCC[C@H](C)C(=O)[O-])[NH2+]Cc1c([O-])cccc1Br ZINC000864503387 1137230214 /nfs/dbraw/zinc/23/02/14/1137230214.db2.gz AQMHAOSTCZURHS-QWRGUYRKSA-N -1 1 344.249 3.524 20 10 EHCDMM CN(Cc1cccs1)c1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000874929572 1137626510 /nfs/dbraw/zinc/62/65/10/1137626510.db2.gz IGRJUHGJNHATKV-NTEUORMPSA-N -1 1 330.434 3.708 20 10 EHCDMM C[C@@H](NCc1ccc(F)c(F)c1[O-])c1nc(C(F)(F)F)cs1 ZINC000877483352 1137677881 /nfs/dbraw/zinc/67/78/81/1137677881.db2.gz STQMGWXIELYNNB-ZCFIWIBFSA-N -1 1 338.301 3.997 20 10 EHCDMM CCN(Cc1ccccc1NCc1cc(F)cc(F)c1[O-])C(C)=O ZINC000882906016 1137837406 /nfs/dbraw/zinc/83/74/06/1137837406.db2.gz FYUPACGHAWKWBA-UHFFFAOYSA-N -1 1 334.366 3.651 20 10 EHCDMM COc1cc(NCc2cc(F)cc(F)c2[O-])c(OC)c(C)c1OC ZINC000883108379 1137844954 /nfs/dbraw/zinc/84/49/54/1137844954.db2.gz FORPBWYBZRIJCL-UHFFFAOYSA-N -1 1 339.338 3.617 20 10 EHCDMM CCc1ccc([C@@H](COC)N[C@H](C)c2ccc(F)c(F)c2[O-])o1 ZINC000187734729 1140269033 /nfs/dbraw/zinc/26/90/33/1140269033.db2.gz BQDXUAWLGKTVFU-QMTHXVAHSA-N -1 1 325.355 3.864 20 10 EHCDMM C[C@H](C[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])C1CC1)C(=O)[O-] ZINC000736585819 599992623 /nfs/dbraw/zinc/99/26/23/599992623.db2.gz WVZJDUGMONIDCY-GFCCVEGCSA-N -1 1 339.391 3.977 20 10 EHCDMM C[C@H](C[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])C1CC1)C(=O)[O-] ZINC000736585819 599992625 /nfs/dbraw/zinc/99/26/25/599992625.db2.gz WVZJDUGMONIDCY-GFCCVEGCSA-N -1 1 339.391 3.977 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc([C@@H]2CCCOC2)cc1 ZINC000890759943 1016381031 /nfs/dbraw/zinc/38/10/31/1016381031.db2.gz WUAVHTGKBBLCNQ-MRXNPFEDSA-N -1 1 345.826 3.870 20 10 EHCDMM COc1ccccc1[C@H](C)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760393 1016385573 /nfs/dbraw/zinc/38/55/73/1016385573.db2.gz QPVQRFXIGQNGNE-GFCCVEGCSA-N -1 1 333.815 3.864 20 10 EHCDMM O=C1/C(=C/c2cc(Cl)c(F)cc2[O-])SC(=S)N1C1CCC1 ZINC000841496874 1032262839 /nfs/dbraw/zinc/26/28/39/1032262839.db2.gz BTGKTIJZBVTDJU-XGICHPGQSA-N -1 1 343.832 3.938 20 10 EHCDMM C[C@](NC(=O)NCc1cccc(Cl)c1[O-])(C1CC1)C(F)(F)F ZINC000933557693 1022104643 /nfs/dbraw/zinc/10/46/43/1022104643.db2.gz GVWFSNZSNQJXSV-ZDUSSCGKSA-N -1 1 336.741 3.576 20 10 EHCDMM C[C@@]1(CCNC(=O)NCc2cccc(Cl)c2[O-])C[C@]1(F)Cl ZINC000895547473 1024591891 /nfs/dbraw/zinc/59/18/91/1024591891.db2.gz ABBALBGIPHFUJS-ZIAGYGMSSA-N -1 1 335.206 3.550 20 10 EHCDMM CS[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000895541556 1024600681 /nfs/dbraw/zinc/60/06/81/1024600681.db2.gz NSMUBMGIQANRCL-CHWSQXEVSA-N -1 1 328.865 3.519 20 10 EHCDMM CC(C)COC[C@@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccco1 ZINC000273605135 1027515193 /nfs/dbraw/zinc/51/51/93/1027515193.db2.gz TVSQDWADXDHPHM-CZUORRHYSA-N -1 1 348.399 3.958 20 10 EHCDMM [O-]c1c(F)cc(Br)cc1CNc1nnc(C2CCC2)o1 ZINC000905425292 1038886184 /nfs/dbraw/zinc/88/61/84/1038886184.db2.gz SWOAKARBVSRSNH-UHFFFAOYSA-N -1 1 342.168 3.556 20 10 EHCDMM CCCC1(CNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000764798771 1127534665 /nfs/dbraw/zinc/53/46/65/1127534665.db2.gz URRYEUZFIYYVGL-UHFFFAOYSA-N -1 1 341.249 3.534 20 10 EHCDMM [O-]c1c(Br)cccc1CNc1ncnc2sccc21 ZINC000764934798 1127555851 /nfs/dbraw/zinc/55/58/51/1127555851.db2.gz MEDWBTASZJPIKJ-UHFFFAOYSA-N -1 1 336.214 3.772 20 10 EHCDMM CCc1cccc(CC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765748044 1127764752 /nfs/dbraw/zinc/76/47/52/1127764752.db2.gz UJPASTHYLSFMOB-UHFFFAOYSA-N -1 1 348.240 3.576 20 10 EHCDMM O=C(/C=C/C1CCCCC1)NCc1cccc(Br)c1[O-] ZINC000765747501 1127764933 /nfs/dbraw/zinc/76/49/33/1127764933.db2.gz OYZUWVKTOLWFNZ-MDZDMXLPSA-N -1 1 338.245 3.907 20 10 EHCDMM CC(C)CCSCC(=O)NCc1cccc(Br)c1[O-] ZINC000765750832 1127765154 /nfs/dbraw/zinc/76/51/54/1127765154.db2.gz LTLASCPTBOSQRX-UHFFFAOYSA-N -1 1 346.290 3.550 20 10 EHCDMM Cc1ccc(C)c(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765748527 1127765899 /nfs/dbraw/zinc/76/58/99/1127765899.db2.gz VYJBYPWYFRYWQZ-UHFFFAOYSA-N -1 1 334.213 3.702 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(Cl)cs1 ZINC000765764118 1127996234 /nfs/dbraw/zinc/99/62/34/1127996234.db2.gz JNZFNXPHYBRMMU-UHFFFAOYSA-N -1 1 346.633 3.800 20 10 EHCDMM CCC[C@@H](C)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC001687460345 1128231017 /nfs/dbraw/zinc/23/10/17/1128231017.db2.gz AUUSQTYJIQYAJK-LLVKDONJSA-N -1 1 343.265 3.780 20 10 EHCDMM CC(C)(C)c1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])o1 ZINC001687337149 1120131951 /nfs/dbraw/zinc/13/19/51/1120131951.db2.gz ODPIDDYTVFHMPU-UHFFFAOYSA-N -1 1 336.819 3.936 20 10 EHCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c([O-])cccc1Cl ZINC000920433846 1123373241 /nfs/dbraw/zinc/37/32/41/1123373241.db2.gz JHORMICGIUCRLK-UHFFFAOYSA-N -1 1 332.831 3.774 20 10 EHCDMM Cc1cc(C(=O)Nc2c([O-])cccc2F)c(C)n1-c1ccccn1 ZINC000743415603 1131918407 /nfs/dbraw/zinc/91/84/07/1131918407.db2.gz IHHDVDQLMPGJLX-UHFFFAOYSA-N -1 1 325.343 3.586 20 10 EHCDMM CN1C(=O)C2(CCCC2)N[C@H]1c1cc(Cl)c2ccccc2c1[O-] ZINC000774545986 1133730486 /nfs/dbraw/zinc/73/04/86/1133730486.db2.gz DXYSWEYHTHYDHX-MRXNPFEDSA-N -1 1 330.815 3.572 20 10 EHCDMM Cc1c(N[C@@H](C)c2cc(F)cc(F)c2[O-])cccc1N1CCNC1=O ZINC000786984745 1133936367 /nfs/dbraw/zinc/93/63/67/1133936367.db2.gz HNGKKOYVORDXMC-NSHDSACASA-N -1 1 347.365 3.682 20 10 EHCDMM COc1c([O-])c(CN2CC[C@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000774910529 1134117010 /nfs/dbraw/zinc/11/70/10/1134117010.db2.gz YCPBBQIKGMBPMM-AWEZNQCLSA-N -1 1 348.786 3.909 20 10 EHCDMM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)c1cccc(C(F)(F)F)c1 ZINC000789944700 1134350361 /nfs/dbraw/zinc/35/03/61/1134350361.db2.gz XEJQXNFSBVDUDU-QMMMGPOBSA-N -1 1 343.276 3.747 20 10 EHCDMM O=C1CCCN1c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000790952029 1134484876 /nfs/dbraw/zinc/48/48/76/1134484876.db2.gz VYPATRRGBDUCTM-UHFFFAOYSA-N -1 1 334.778 3.924 20 10 EHCDMM Cn1ccc2ccc(NCc3cc(Cl)cc(F)c3[O-])cc2c1=O ZINC000793620498 1134974292 /nfs/dbraw/zinc/97/42/92/1134974292.db2.gz PQCDTZNNVPMXCP-UHFFFAOYSA-N -1 1 332.762 3.649 20 10 EHCDMM Cc1ccc(NC(=O)c2ccc(O)c([O-])c2Cl)cc1OC(F)F ZINC001193229753 1135119660 /nfs/dbraw/zinc/11/96/60/1135119660.db2.gz MGZJCZJITBPQRI-UHFFFAOYSA-N -1 1 343.713 3.913 20 10 EHCDMM Cc1cc([N-]S(=O)(=O)c2cccc3c(Cl)nccc32)ccc1O ZINC001194491131 1135278580 /nfs/dbraw/zinc/27/85/80/1135278580.db2.gz WDPXISANOGTGHT-UHFFFAOYSA-N -1 1 348.811 3.703 20 10 EHCDMM CC(C)c1cccc(S(=O)(=O)Nc2cc(F)c([O-])c(F)c2)c1 ZINC001195156982 1135382857 /nfs/dbraw/zinc/38/28/57/1135382857.db2.gz YYQBSYVURUQBAV-UHFFFAOYSA-N -1 1 327.352 3.595 20 10 EHCDMM [O-]c1c(F)cc(Cl)cc1CNc1cccnc1OCC(F)F ZINC001201522505 1136038019 /nfs/dbraw/zinc/03/80/19/1136038019.db2.gz PHSSXWOFFAAXJH-UHFFFAOYSA-N -1 1 332.709 3.836 20 10 EHCDMM Cn1c(=O)ccc2ccc(NCc3cc(Cl)c(F)cc3[O-])cc21 ZINC000816593222 1136735665 /nfs/dbraw/zinc/73/56/65/1136735665.db2.gz JZRPCYLLNVOIAS-UHFFFAOYSA-N -1 1 332.762 3.649 20 10 EHCDMM CN1c2ccccc2N(Cc2cc(Cl)c(F)cc2[O-])CCC1=O ZINC000816613056 1136741834 /nfs/dbraw/zinc/74/18/34/1136741834.db2.gz HNHGDDXFDNIWBP-UHFFFAOYSA-N -1 1 334.778 3.558 20 10 EHCDMM [O-]c1cc(F)c(Br)cc1CN1CC[C@@H](C(F)(F)F)C1 ZINC001144306647 1137270804 /nfs/dbraw/zinc/27/08/04/1137270804.db2.gz KVFMTHZBEDNZLO-MRVPVSSYSA-N -1 1 342.130 3.678 20 10 EHCDMM CC(C)(C)c1nn(-c2ccccc2)cc1C=C1SC(=S)[N-]C1=O ZINC000123329937 1137512201 /nfs/dbraw/zinc/51/22/01/1137512201.db2.gz HDKZHIOBZXSAFP-UKTHLTGXSA-N -1 1 343.477 3.659 20 10 EHCDMM CN(Cc1cccs1)c1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000874929573 1137626433 /nfs/dbraw/zinc/62/64/33/1137626433.db2.gz IGRJUHGJNHATKV-ZROIWOOFSA-N -1 1 330.434 3.708 20 10 EHCDMM CC(=O)Nc1ccc2c(c1)CN(Cc1cccc(Cl)c1[O-])CC2 ZINC000877816564 1137691330 /nfs/dbraw/zinc/69/13/30/1137691330.db2.gz JLQNRAVUEUHMDW-UHFFFAOYSA-N -1 1 330.815 3.562 20 10 EHCDMM CC1(C)N[C@@H](c2cc(Cl)ccc2[O-])N(CC2CCCCC2)C1=O ZINC000877857418 1137693661 /nfs/dbraw/zinc/69/36/61/1137693661.db2.gz QVMRBXKCGOVSHO-MRXNPFEDSA-N -1 1 336.863 3.835 20 10 EHCDMM C[C@@H](C[N@H+](Cc1cc2oc3ccccc3c2cc1[O-])C1CC1)C(=O)[O-] ZINC000736585822 599992696 /nfs/dbraw/zinc/99/26/96/599992696.db2.gz WVZJDUGMONIDCY-LBPRGKRZSA-N -1 1 339.391 3.977 20 10 EHCDMM C[C@@H](C[N@@H+](Cc1cc2oc3ccccc3c2cc1[O-])C1CC1)C(=O)[O-] ZINC000736585822 599992699 /nfs/dbraw/zinc/99/26/99/599992699.db2.gz WVZJDUGMONIDCY-LBPRGKRZSA-N -1 1 339.391 3.977 20 10 EHCDMM CCCOc1ccc(CNCc2ccc(C(=O)[O-])cc2F)cc1C ZINC001595961124 983156956 /nfs/dbraw/zinc/15/69/56/983156956.db2.gz SUCLKROSHAXVDI-UHFFFAOYSA-N -1 1 331.387 3.911 20 10 EHCDMM CC1CC[NH+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1 ZINC000728194417 1014939020 /nfs/dbraw/zinc/93/90/20/1014939020.db2.gz PEYJZVYRHVPMSN-UHFFFAOYSA-N -1 1 325.408 3.561 20 10 EHCDMM CC(C)[C@@H]1C[C@H](CC(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890759496 1016381661 /nfs/dbraw/zinc/38/16/61/1016381661.db2.gz LNZYGHOYKKXXEU-DOMZBBRYSA-N -1 1 325.836 3.503 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])NCC1CCC(F)(F)CC1 ZINC000894625929 1022637830 /nfs/dbraw/zinc/63/78/30/1022637830.db2.gz ICTBLGUYLXVUIA-UHFFFAOYSA-N -1 1 332.778 3.670 20 10 EHCDMM CC(C)Cc1ncc(C(=O)[N-]c2c3nonc3ccc2Cl)s1 ZINC001271355855 1025473695 /nfs/dbraw/zinc/47/36/95/1025473695.db2.gz GOTFPRBRHOAOMB-UHFFFAOYSA-N -1 1 336.804 3.784 20 10 EHCDMM [O-]c1c(F)cc(F)cc1CNc1nnc(C2CCC(F)(F)CC2)o1 ZINC000905425478 1038889806 /nfs/dbraw/zinc/88/98/06/1038889806.db2.gz ALCCZHSOLBQNSQ-UHFFFAOYSA-N -1 1 345.296 3.958 20 10 EHCDMM [O-]c1c(Br)cccc1CNc1ccc(OC(F)F)cn1 ZINC000764934796 1127555713 /nfs/dbraw/zinc/55/57/13/1127555713.db2.gz MCETVZDCSKBVNL-UHFFFAOYSA-N -1 1 345.143 3.763 20 10 EHCDMM Cc1cccc(CCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765754284 1127766780 /nfs/dbraw/zinc/76/67/80/1127766780.db2.gz UQSHQFRPJCYNKV-UHFFFAOYSA-N -1 1 348.240 3.712 20 10 EHCDMM CCC(CC)(CC)C(=O)NCc1cccc(Br)c1[O-] ZINC000765763489 1127968584 /nfs/dbraw/zinc/96/85/84/1127968584.db2.gz BTNNSDWEWSRFBZ-UHFFFAOYSA-N -1 1 328.250 3.987 20 10 EHCDMM Cc1cccc([C@@H](C)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765766028 1128058188 /nfs/dbraw/zinc/05/81/88/1128058188.db2.gz UWWOKVTWGFIPPQ-GFCCVEGCSA-N -1 1 348.240 3.883 20 10 EHCDMM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1nc2ccccc2s1 ZINC001177894859 1133110249 /nfs/dbraw/zinc/11/02/49/1133110249.db2.gz XZZNLCMLGZZCOV-JTQLQIEISA-N -1 1 329.381 3.761 20 10 EHCDMM CC(=O)N1CCc2c1cccc2N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000769419850 1133280839 /nfs/dbraw/zinc/28/08/39/1133280839.db2.gz WCKGPFBSIYJZLE-JTQLQIEISA-N -1 1 332.350 3.753 20 10 EHCDMM COc1ccc(N[C@H](C)c2cc(Br)cc(F)c2[O-])cn1 ZINC000785567169 1133728066 /nfs/dbraw/zinc/72/80/66/1133728066.db2.gz MPVVTTDHOBAGAM-MRVPVSSYSA-N -1 1 341.180 3.871 20 10 EHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cccc2c1CCCC2 ZINC000792703020 1134782093 /nfs/dbraw/zinc/78/20/93/1134782093.db2.gz ODBHLHXNBWVNJF-UHFFFAOYSA-N -1 1 349.477 3.794 20 10 EHCDMM CCOc1ccc([C@@H](C)NC(=O)c2ccc(O)c([O-])c2Cl)cc1 ZINC001193246717 1135118369 /nfs/dbraw/zinc/11/83/69/1135118369.db2.gz ALJLCZRVFPBJAW-SNVBAGLBSA-N -1 1 335.787 3.641 20 10 EHCDMM [O-]c1c(F)cc(Cl)cc1CNc1ccc(OCCCO)cc1 ZINC000809714243 1135876589 /nfs/dbraw/zinc/87/65/89/1135876589.db2.gz CJNVZUWVFDSPHT-UHFFFAOYSA-N -1 1 325.767 3.558 20 10 EHCDMM Cc1ccc2sc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc2c1 ZINC000811348301 1136073646 /nfs/dbraw/zinc/07/36/46/1136073646.db2.gz XIATWNWWEZRZGV-UHFFFAOYSA-N -1 1 342.372 3.661 20 10 EHCDMM COc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1NC(C)=O ZINC000816523631 1136733541 /nfs/dbraw/zinc/73/35/41/1136733541.db2.gz XSLYCKUEOQNQBB-UHFFFAOYSA-N -1 1 338.766 3.764 20 10 EHCDMM CC(C)NC(=O)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816564615 1136737520 /nfs/dbraw/zinc/73/75/20/1136737520.db2.gz KZJMTZACNPFNMK-UHFFFAOYSA-N -1 1 336.794 3.935 20 10 EHCDMM CCN(C)C(=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816610073 1136741121 /nfs/dbraw/zinc/74/11/21/1136741121.db2.gz WYTPLZRNIVDITQ-UHFFFAOYSA-N -1 1 336.794 3.889 20 10 EHCDMM Cc1nc(CNCc2cccc(Cl)c2[O-])sc1Br ZINC000824589460 1137144276 /nfs/dbraw/zinc/14/42/76/1137144276.db2.gz DEFZFHJOUKOMQG-UHFFFAOYSA-N -1 1 347.665 3.863 20 10 EHCDMM COCc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1OC ZINC000862537448 1137148814 /nfs/dbraw/zinc/14/88/14/1137148814.db2.gz YJBBOQAJVTVFPG-UHFFFAOYSA-N -1 1 325.767 3.952 20 10 EHCDMM C[C@H]1CN(c2ccccc2NCc2cc(F)cc(F)c2[O-])C[C@H](C)O1 ZINC000882905972 1137837338 /nfs/dbraw/zinc/83/73/38/1137837338.db2.gz BZRGGIHGGUUPRX-STQMWFEESA-N -1 1 348.393 3.896 20 10 EHCDMM Cc1ccc(NCc2cc(F)cc(F)c2[O-])cc1C(=O)NC(C)C ZINC000883063690 1137843245 /nfs/dbraw/zinc/84/32/45/1137843245.db2.gz YSGCMMMWUUYLJG-UHFFFAOYSA-N -1 1 334.366 3.729 20 10 EHCDMM CC[C@](C)(NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nccs1 ZINC000152655398 1139102255 /nfs/dbraw/zinc/10/22/55/1139102255.db2.gz IHRRLFKWGVRYLU-AWEZNQCLSA-N -1 1 341.820 3.825 20 10 EHCDMM CC[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(N(C)C)cc1 ZINC001595300206 980434083 /nfs/dbraw/zinc/43/40/83/980434083.db2.gz ORQVHUVPHCDUEO-INIZCTEOSA-N -1 1 347.846 3.740 20 10 EHCDMM C[C@@H]([NH2+]Cc1ccc2ccccc2c1[O-])[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593305325 994761109 /nfs/dbraw/zinc/76/11/09/994761109.db2.gz YCJYZVRPNOUXRJ-QRWLVFNGSA-N -1 1 349.430 3.967 20 10 EHCDMM Cc1cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)ccc1O ZINC001209976172 1016806467 /nfs/dbraw/zinc/80/64/67/1016806467.db2.gz GFAVKGTWDPRIDO-UHFFFAOYSA-N -1 1 345.354 3.925 20 10 EHCDMM CC1(C)C[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])CCS1 ZINC000897850046 1033208753 /nfs/dbraw/zinc/20/87/53/1033208753.db2.gz DACNFOXYFPTBFL-NSHDSACASA-N -1 1 328.865 3.519 20 10 EHCDMM CC1CCN(c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)CC1 ZINC000303819093 1027663210 /nfs/dbraw/zinc/66/32/10/1027663210.db2.gz MMPRBRNURHJKCG-UHFFFAOYSA-N -1 1 348.443 3.863 20 10 EHCDMM CCCn1cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cn1 ZINC001174219916 1132289228 /nfs/dbraw/zinc/28/92/28/1132289228.db2.gz LSUMNZAILLNQDL-UHFFFAOYSA-N -1 1 347.374 3.518 20 10 EHCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@H](c2ccccc2)CC1 ZINC000789971086 1134357998 /nfs/dbraw/zinc/35/79/98/1134357998.db2.gz NJPKZANEBNTLRE-AWEZNQCLSA-N -1 1 329.371 3.647 20 10 EHCDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)c1 ZINC001189229612 1134554110 /nfs/dbraw/zinc/55/41/10/1134554110.db2.gz QCYNFIFNDDLLHA-UHFFFAOYSA-N -1 1 341.388 3.549 20 10 EHCDMM O=C(CNc1nc(Cl)cc2ccccc21)c1ccc([O-])c(O)c1 ZINC001170314193 1134745343 /nfs/dbraw/zinc/74/53/43/1134745343.db2.gz RRRWVVMSVMGSOG-UHFFFAOYSA-N -1 1 328.755 3.594 20 10 EHCDMM Cc1ccc2c(CCNC(=O)c3ccc(O)c([O-])c3Cl)c[nH]c2c1 ZINC001193236783 1135117219 /nfs/dbraw/zinc/11/72/19/1135117219.db2.gz QWLOPSVFEJEPHI-UHFFFAOYSA-N -1 1 344.798 3.513 20 10 EHCDMM CC(C)(Cc1ccc(F)cc1)NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193236734 1135117247 /nfs/dbraw/zinc/11/72/47/1135117247.db2.gz PGJLNHPQDSIENG-UHFFFAOYSA-N -1 1 337.778 3.641 20 10 EHCDMM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@@H](OCC(F)(F)F)C1 ZINC000775653767 1135418658 /nfs/dbraw/zinc/41/86/58/1135418658.db2.gz BGCYJZPVYZJXFN-LLVKDONJSA-N -1 1 341.732 3.728 20 10 EHCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCCO2)c1[O-] ZINC001198685311 1135847337 /nfs/dbraw/zinc/84/73/37/1135847337.db2.gz IVEITPHYZNVYJI-IAGOWNOFSA-N -1 1 337.847 3.782 20 10 EHCDMM CN1c2ccccc2N(Cc2cc(Cl)cc(F)c2[O-])CCC1=O ZINC000809786227 1135891647 /nfs/dbraw/zinc/89/16/47/1135891647.db2.gz UNPBWESBAIYIMI-UHFFFAOYSA-N -1 1 334.778 3.558 20 10 EHCDMM Cc1ccc(NCc2cc(F)cc(F)c2[O-])cc1NC(=O)N(C)C ZINC001202111139 1136100507 /nfs/dbraw/zinc/10/05/07/1136100507.db2.gz NSLHFQKGDPMWIV-UHFFFAOYSA-N -1 1 335.354 3.684 20 10 EHCDMM Cc1ccc(N2CCNC2=O)cc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816593877 1136734990 /nfs/dbraw/zinc/73/49/90/1136734990.db2.gz HMADLEYHHJVPTI-UHFFFAOYSA-N -1 1 349.793 3.635 20 10 EHCDMM CCS(=O)(=O)Cc1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000825316522 1137172483 /nfs/dbraw/zinc/17/24/83/1137172483.db2.gz PBUKLYBKHHNYGV-UHFFFAOYSA-N -1 1 339.844 3.592 20 10 EHCDMM NC(=O)c1ccc(Cl)c(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000863995970 1137210737 /nfs/dbraw/zinc/21/07/37/1137210737.db2.gz IRIYSPRRPWAKSC-UHFFFAOYSA-N -1 1 329.158 3.549 20 10 EHCDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1 ZINC000123897774 1137563999 /nfs/dbraw/zinc/56/39/99/1137563999.db2.gz ZFSKHDFDWOJIFB-UHFFFAOYSA-N -1 1 347.436 3.827 20 10 EHCDMM CCn1nc(C)c(C[N@H+](C)Cc2cc(Cl)c(F)cc2O)c1C ZINC000877663701 1137684903 /nfs/dbraw/zinc/68/49/03/1137684903.db2.gz GCVNUDHXXVJYEA-UHFFFAOYSA-N -1 1 325.815 3.650 20 10 EHCDMM COCc1cc(NCc2cc(Cl)cc(F)c2[O-])ccc1OC ZINC000877703107 1137686372 /nfs/dbraw/zinc/68/63/72/1137686372.db2.gz RQVLYTSXMUBNPQ-UHFFFAOYSA-N -1 1 325.767 3.952 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1SCCc2sccc21 ZINC000890760137 1016379748 /nfs/dbraw/zinc/37/97/48/1016379748.db2.gz JDYRQKGRXYYTCF-CQSZACIVSA-N -1 1 339.869 3.754 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])C1(C2CCC2)CCC1 ZINC000836784005 1018604175 /nfs/dbraw/zinc/60/41/75/1018604175.db2.gz ADACCGDGEIHQEV-UHFFFAOYSA-N -1 1 338.245 3.741 20 10 EHCDMM C[C@]1(CF)CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141367967 1042663108 /nfs/dbraw/zinc/66/31/08/1042663108.db2.gz YMDPLIMHRHJONI-CYBMUJFWSA-N -1 1 336.632 3.990 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])C(F)=C1CCCC1 ZINC000765727489 1127746335 /nfs/dbraw/zinc/74/63/35/1127746335.db2.gz BGCYJRPUABSNCA-UHFFFAOYSA-N -1 1 328.181 3.569 20 10 EHCDMM C[C@H](CC(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765752717 1127765974 /nfs/dbraw/zinc/76/59/74/1127765974.db2.gz ZFZVPOZLYPAURB-GFCCVEGCSA-N -1 1 348.240 3.965 20 10 EHCDMM C/C(=C/C(C)(C)C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765765298 1128006221 /nfs/dbraw/zinc/00/62/21/1128006221.db2.gz RHQAPFCYWZBDGH-NTMALXAHSA-N -1 1 326.234 3.763 20 10 EHCDMM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001670575478 1120087559 /nfs/dbraw/zinc/08/75/59/1120087559.db2.gz JJIZFZUZQXQZLK-UHFFFAOYSA-N -1 1 349.774 3.892 20 10 EHCDMM O=C(NCc1ccc2cccnc2c1)NCc1cccc(Cl)c1[O-] ZINC001687299012 1120126099 /nfs/dbraw/zinc/12/60/99/1120126099.db2.gz FALNZJAAAQOOSO-UHFFFAOYSA-N -1 1 341.798 3.593 20 10 EHCDMM Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cccc(Br)c1O ZINC000179707556 1123828588 /nfs/dbraw/zinc/82/85/88/1123828588.db2.gz HXAOKFBDFUBTBX-OAHLLOKOSA-N -1 1 335.245 3.830 20 10 EHCDMM Cc1ccc(NC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000766236862 1131481440 /nfs/dbraw/zinc/48/14/40/1131481440.db2.gz PZAMOSNNJHCVEM-UHFFFAOYSA-N -1 1 341.230 3.846 20 10 EHCDMM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc(C)c1F ZINC000743046301 1131842235 /nfs/dbraw/zinc/84/22/35/1131842235.db2.gz ALNSEXNMSPODHV-UHFFFAOYSA-N -1 1 348.443 3.844 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc2sccc2c(O)c1 ZINC001180410498 1133371629 /nfs/dbraw/zinc/37/16/29/1133371629.db2.gz QRTUKMLFSJGYKG-UHFFFAOYSA-N -1 1 333.796 3.896 20 10 EHCDMM CCNC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)c(C)c1 ZINC000789890145 1134341911 /nfs/dbraw/zinc/34/19/11/1134341911.db2.gz STWDERBSBVWIAU-UHFFFAOYSA-N -1 1 336.794 3.855 20 10 EHCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@@H](c2ccccc2)CC1 ZINC000789971088 1134357649 /nfs/dbraw/zinc/35/76/49/1134357649.db2.gz NJPKZANEBNTLRE-CQSZACIVSA-N -1 1 329.371 3.647 20 10 EHCDMM Cc1ccc2c(cccc2NC(=O)c2ccc(O)c([O-])c2Cl)n1 ZINC001193229473 1135119965 /nfs/dbraw/zinc/11/99/65/1135119965.db2.gz JRUJXEBKGBOWKB-UHFFFAOYSA-N -1 1 328.755 3.860 20 10 EHCDMM CCN(CC)c1ccc(CN(C)C(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000809549009 1135854945 /nfs/dbraw/zinc/85/49/45/1135854945.db2.gz LTSYOWIZJWNBLS-UHFFFAOYSA-N -1 1 348.393 3.789 20 10 EHCDMM O=C(Nc1cccc(N2CCCCC2)c1)c1c(F)ccc([O-])c1F ZINC000809623149 1135861912 /nfs/dbraw/zinc/86/19/12/1135861912.db2.gz RKJPLMWTQRCGSB-UHFFFAOYSA-N -1 1 332.350 3.913 20 10 EHCDMM CC(C=C1SC(=S)[N-]C1=O)=Cc1ccccc1OC(F)F ZINC000811685656 1136121716 /nfs/dbraw/zinc/12/17/16/1136121716.db2.gz YRPMTJWKFNIAEK-NFNKYSHCSA-N -1 1 327.377 3.723 20 10 EHCDMM C[C@H](N[C@@H]1C[C@H](C)n2ncnc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000850499129 1136272309 /nfs/dbraw/zinc/27/23/09/1136272309.db2.gz JVHLQVIYFFXHGN-DKCNOQQISA-N -1 1 327.215 3.647 20 10 EHCDMM C[C@@H](NCc1c(F)cc(F)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000815650056 1136626285 /nfs/dbraw/zinc/62/62/85/1136626285.db2.gz HLCCIIXNSGTJJN-MRVPVSSYSA-N -1 1 326.274 3.569 20 10 EHCDMM CC(C)(C)C(C)(C)C(=O)NCc1cccc(Br)c1[O-] ZINC000816495858 1136725505 /nfs/dbraw/zinc/72/55/05/1136725505.db2.gz LYBQDWNFQXTWIV-UHFFFAOYSA-N -1 1 328.250 3.843 20 10 EHCDMM COCCOc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816523314 1136733065 /nfs/dbraw/zinc/73/30/65/1136733065.db2.gz LRJIGCYHRKBPCM-UHFFFAOYSA-N -1 1 325.767 3.822 20 10 EHCDMM CC(C)(O)COc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816527716 1136734201 /nfs/dbraw/zinc/73/42/01/1136734201.db2.gz VZNAXVDBZPTQJK-UHFFFAOYSA-N -1 1 339.794 3.947 20 10 EHCDMM COc1cc(NCc2cc(Cl)c(F)cc2[O-])cc(-n2cccn2)c1 ZINC000816595426 1136739493 /nfs/dbraw/zinc/73/94/93/1136739493.db2.gz NRGQNUIPUJRGCL-UHFFFAOYSA-N -1 1 347.777 3.991 20 10 EHCDMM C[C@@H](Nc1cnn(CCF)c1)c1cc(Br)cc(F)c1[O-] ZINC000858491811 1136972823 /nfs/dbraw/zinc/97/28/23/1136972823.db2.gz OKRVCEZNUYGBRV-MRVPVSSYSA-N -1 1 346.175 3.633 20 10 EHCDMM O=C(c1cccc(-c2ccccc2)c1[O-])N1CCc2cccc(O)c2C1 ZINC001148866276 1137436863 /nfs/dbraw/zinc/43/68/63/1137436863.db2.gz GOFAMZXMAOIKDM-UHFFFAOYSA-N -1 1 345.398 3.963 20 10 EHCDMM CC(C)c1nn(C)cc1NCc1cc(Br)cc(F)c1[O-] ZINC000715768909 1137477982 /nfs/dbraw/zinc/47/79/82/1137477982.db2.gz GOSFBBWOBACKKT-UHFFFAOYSA-N -1 1 342.212 3.763 20 10 EHCDMM O=C([O-])C[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1Cl ZINC000871883259 1137562424 /nfs/dbraw/zinc/56/24/24/1137562424.db2.gz HPVLEKCHUMZOLT-INIZCTEOSA-N -1 1 331.799 3.581 20 10 EHCDMM CCCN1C(=O)CCc2cc(NCc3cc(F)cc(F)c3[O-])ccc21 ZINC000883083099 1137843863 /nfs/dbraw/zinc/84/38/63/1137843863.db2.gz ZWOSGPUHKKOMOF-UHFFFAOYSA-N -1 1 346.377 3.972 20 10 EHCDMM CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001589616353 987478896 /nfs/dbraw/zinc/47/88/96/987478896.db2.gz XVERQCVUXNKVHZ-INIZCTEOSA-N -1 1 327.424 3.868 20 10 EHCDMM CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC001589616353 987478899 /nfs/dbraw/zinc/47/88/99/987478899.db2.gz XVERQCVUXNKVHZ-INIZCTEOSA-N -1 1 327.424 3.868 20 10 EHCDMM CC(C)COC[C@H](N[C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccco1 ZINC001591391354 992451896 /nfs/dbraw/zinc/45/18/96/992451896.db2.gz XKTAPOLBNDGHBA-BBRMVZONSA-N -1 1 347.411 3.748 20 10 EHCDMM C[C@H](NCc1coc(-c2cccs2)n1)c1cc(C(=O)[O-])ccc1O ZINC001593311386 994780837 /nfs/dbraw/zinc/78/08/37/994780837.db2.gz GCAZXADBVHIQKV-JTQLQIEISA-N -1 1 344.392 3.658 20 10 EHCDMM COc1ccccc1-c1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000255048298 1016191760 /nfs/dbraw/zinc/19/17/60/1016191760.db2.gz OOJGANOFPDKHQU-GDNBJRDFSA-N -1 1 327.430 3.851 20 10 EHCDMM CCC[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccccn1 ZINC000892806318 1017479311 /nfs/dbraw/zinc/47/93/11/1017479311.db2.gz GKGLQWHFUCOHQI-OAHLLOKOSA-N -1 1 333.819 3.781 20 10 EHCDMM Cc1ccc(C(C)(C)CNC(=O)NCc2cccc(Cl)c2[O-])nc1 ZINC000895979447 1025037587 /nfs/dbraw/zinc/03/75/87/1025037587.db2.gz INRIYUGSBZVYIX-UHFFFAOYSA-N -1 1 347.846 3.526 20 10 EHCDMM CCS[C@H](C(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000277559853 1025965783 /nfs/dbraw/zinc/96/57/83/1025965783.db2.gz PDWCSHSFPYFDIZ-ZDUSSCGKSA-N -1 1 346.290 3.549 20 10 EHCDMM COc1cccc2c1CC[N@@H+](Cc1cc(Br)ccc1O)C2 ZINC000783595166 1027559569 /nfs/dbraw/zinc/55/95/69/1027559569.db2.gz PGAWRVKZJZMTDA-UHFFFAOYSA-N -1 1 348.240 3.722 20 10 EHCDMM Cc1cc(Br)c([O-])c(CN2CCC[C@@H]2c2ncc[nH]2)c1 ZINC000761510536 1037081934 /nfs/dbraw/zinc/08/19/34/1037081934.db2.gz IVIRJEVAFYLYIE-CYBMUJFWSA-N -1 1 336.233 3.523 20 10 EHCDMM CCc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765751221 1127765266 /nfs/dbraw/zinc/76/52/66/1127765266.db2.gz AYWPFVCEUSLALL-UHFFFAOYSA-N -1 1 334.213 3.647 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc2[nH]ccc21 ZINC000765766146 1128056915 /nfs/dbraw/zinc/05/69/15/1128056915.db2.gz VNXZSHCLZKDGEF-UHFFFAOYSA-N -1 1 345.196 3.566 20 10 EHCDMM CC(C)n1ccc(NCc2cc(Cl)c3cccnc3c2[O-])cc1=O ZINC001168524245 1122928010 /nfs/dbraw/zinc/92/80/10/1122928010.db2.gz YFQPCTOXLIRNIK-UHFFFAOYSA-N -1 1 343.814 3.949 20 10 EHCDMM CC[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CCC1 ZINC000738056070 1131461944 /nfs/dbraw/zinc/46/19/44/1131461944.db2.gz WISMNMVILRXREH-UHFFFAOYSA-N -1 1 325.408 3.703 20 10 EHCDMM CC[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CCC1 ZINC000738056070 1131461946 /nfs/dbraw/zinc/46/19/46/1131461946.db2.gz WISMNMVILRXREH-UHFFFAOYSA-N -1 1 325.408 3.703 20 10 EHCDMM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1c(F)ccc(O)c1[O-] ZINC000789956268 1134351498 /nfs/dbraw/zinc/35/14/98/1134351498.db2.gz FEEFWNUOWLQHPI-GFCCVEGCSA-N -1 1 333.359 3.582 20 10 EHCDMM CCc1cc(CC)nc(NCc2cccc(Br)c2[O-])n1 ZINC000804654313 1135158534 /nfs/dbraw/zinc/15/85/34/1135158534.db2.gz NBIFLYAYXZJKJW-UHFFFAOYSA-N -1 1 336.233 3.682 20 10 EHCDMM O=S(=O)([N-]c1ccc(O)cc1)c1cccc2c(Cl)cccc21 ZINC001194404270 1135265133 /nfs/dbraw/zinc/26/51/33/1135265133.db2.gz NNULGEXQNDWIDI-UHFFFAOYSA-N -1 1 333.796 4.000 20 10 EHCDMM CC[C@@H](NCc1ncnn1CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806163782 1135405633 /nfs/dbraw/zinc/40/56/33/1135405633.db2.gz VXOTVVQWZRGEGK-GFCCVEGCSA-N -1 1 329.231 3.551 20 10 EHCDMM O=C(NCc1cc(Cl)cc(Cl)c1O)c1c([O-])cc(F)cc1F ZINC000807839815 1135581098 /nfs/dbraw/zinc/58/10/98/1135581098.db2.gz RHZWPQJRPXDXRM-UHFFFAOYSA-N -1 1 348.132 3.613 20 10 EHCDMM [O-]c1c(Cl)cc(Cl)cc1CNCc1cn2cccc(F)c2n1 ZINC000809775471 1135881898 /nfs/dbraw/zinc/88/18/98/1135881898.db2.gz BTURBAVOPCCHPW-UHFFFAOYSA-N -1 1 340.185 3.776 20 10 EHCDMM Nc1ccc(N(c2ccc(N)cc2)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC001201223982 1136000335 /nfs/dbraw/zinc/00/03/35/1136000335.db2.gz GPTMOCPNKVQACE-UHFFFAOYSA-N -1 1 336.351 3.935 20 10 EHCDMM Cc1ccc(C(=O)NC2CC2)cc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816525249 1136733712 /nfs/dbraw/zinc/73/37/12/1136733712.db2.gz LNDXWZJJKXGFHK-UHFFFAOYSA-N -1 1 348.805 3.997 20 10 EHCDMM O=C1N[C@H](c2cc(Cl)c(F)cc2[O-])Nc2cc(Cl)ccc21 ZINC000877847282 1137693170 /nfs/dbraw/zinc/69/31/70/1137693170.db2.gz UVWOFBWDMONENY-CYBMUJFWSA-N -1 1 327.142 3.692 20 10 EHCDMM O=C1N[C@H](c2cc(Cl)c(F)cc2[O-])Nc2ccc(Cl)cc21 ZINC000877850091 1137693373 /nfs/dbraw/zinc/69/33/73/1137693373.db2.gz HSRGGVWJVLXUSG-CYBMUJFWSA-N -1 1 327.142 3.692 20 10 EHCDMM CCC(C)(C)c1nnc(NCc2cccc(Br)c2[O-])o1 ZINC000882269927 1137824827 /nfs/dbraw/zinc/82/48/27/1137824827.db2.gz XHLAJHOCRDZRJL-UHFFFAOYSA-N -1 1 340.221 3.837 20 10 EHCDMM CC1(C)COc2ccc(NCc3cc(F)cc(F)c3[O-])cc2NC1=O ZINC000883200501 1137848218 /nfs/dbraw/zinc/84/82/18/1137848218.db2.gz LMRJLBJZBGCHPP-UHFFFAOYSA-N -1 1 348.349 3.640 20 10 EHCDMM O=C([O-])CC1CC[NH+](Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000738564331 599993331 /nfs/dbraw/zinc/99/33/31/599993331.db2.gz QNSXDCVIQHAFOP-UHFFFAOYSA-N -1 1 339.391 3.978 20 10 EHCDMM O=C([O-])N1CCC(C[N@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC000740500475 602434655 /nfs/dbraw/zinc/43/46/55/602434655.db2.gz QPIPVWNPRYVICS-UHFFFAOYSA-N -1 1 332.444 3.527 20 10 EHCDMM O=C([O-])N1CCC(C[N@@H+](Cc2ccccc2[O-])C2CCCC2)CC1 ZINC000740500475 602434656 /nfs/dbraw/zinc/43/46/56/602434656.db2.gz QPIPVWNPRYVICS-UHFFFAOYSA-N -1 1 332.444 3.527 20 10 EHCDMM C[C@@H]1CCC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000728194420 1014939308 /nfs/dbraw/zinc/93/93/08/1014939308.db2.gz PFUCJATXAITDED-CQSZACIVSA-N -1 1 325.408 3.561 20 10 EHCDMM C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000728194420 1014939321 /nfs/dbraw/zinc/93/93/21/1014939321.db2.gz PFUCJATXAITDED-CQSZACIVSA-N -1 1 325.408 3.561 20 10 EHCDMM O=C(C[C@@H]1CCc2sccc2C1=O)NCc1cccc(Cl)c1[O-] ZINC000890762486 1016406391 /nfs/dbraw/zinc/40/63/91/1016406391.db2.gz DXWLJZOPFTTYAP-JTQLQIEISA-N -1 1 349.839 3.559 20 10 EHCDMM C[C@@H](CCc1ccc(O)cc1)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000891699699 1022383457 /nfs/dbraw/zinc/38/34/57/1022383457.db2.gz CYKYVSTZOUHUQU-LBPRGKRZSA-N -1 1 348.830 3.572 20 10 EHCDMM CCNC(=O)c1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000048796504 1026267715 /nfs/dbraw/zinc/26/77/15/1026267715.db2.gz KINXEAKBRISSIX-UHFFFAOYSA-N -1 1 349.228 3.517 20 10 EHCDMM COc1ccc(Oc2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1 ZINC000783686018 1027080530 /nfs/dbraw/zinc/08/05/30/1027080530.db2.gz URQDCWCZUABYOC-GDNBJRDFSA-N -1 1 343.429 3.976 20 10 EHCDMM O=C([O-])[C@H](Cc1cc2ccccc2o1)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001601656484 1126222909 /nfs/dbraw/zinc/22/29/09/1126222909.db2.gz BHYFAZLLXGGPTK-HNNXBMFYSA-N -1 1 345.782 3.577 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])NCC1CCCCC1 ZINC000765447180 1127612562 /nfs/dbraw/zinc/61/25/62/1127612562.db2.gz RCYKCPIXCINGOY-UHFFFAOYSA-N -1 1 341.249 3.534 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc2c1CCC2 ZINC000765727321 1127744386 /nfs/dbraw/zinc/74/43/86/1127744386.db2.gz LQSJKINRROLOPK-UHFFFAOYSA-N -1 1 346.224 3.573 20 10 EHCDMM CCc1oc(C(=O)NCc2cccc(Br)c2[O-])cc1C ZINC000765737747 1127758347 /nfs/dbraw/zinc/75/83/47/1127758347.db2.gz YPVAYAWGRVSTDQ-UHFFFAOYSA-N -1 1 338.201 3.549 20 10 EHCDMM CC[C@@H](CC(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000765758488 1127895746 /nfs/dbraw/zinc/89/57/46/1127895746.db2.gz YPXAFQGHBHGWIA-NSHDSACASA-N -1 1 328.250 3.843 20 10 EHCDMM C/C(=C\C(C)(C)C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765765297 1128006325 /nfs/dbraw/zinc/00/63/25/1128006325.db2.gz RHQAPFCYWZBDGH-CSKARUKUSA-N -1 1 326.234 3.763 20 10 EHCDMM C=Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765766472 1128034282 /nfs/dbraw/zinc/03/42/82/1128034282.db2.gz XJSLKTZSYLVAMU-UHFFFAOYSA-N -1 1 332.197 3.728 20 10 EHCDMM O=C(NCc1c(O)ccc2c1CCCC2)c1c([O-])cccc1Cl ZINC000743719828 1131970864 /nfs/dbraw/zinc/97/08/64/1131970864.db2.gz WHBYXIKHYQCENO-UHFFFAOYSA-N -1 1 331.799 3.560 20 10 EHCDMM CC1CCN(c2ccc(CNC(=O)c3ccc([O-])c(F)c3)cc2)CC1 ZINC000768034517 1133082377 /nfs/dbraw/zinc/08/23/77/1133082377.db2.gz RXHLMWZVGFVZIA-UHFFFAOYSA-N -1 1 342.414 3.698 20 10 EHCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCc2cc(CO)ccc2C1 ZINC001203574014 1133837374 /nfs/dbraw/zinc/83/73/74/1133837374.db2.gz JNVOODQAPCGBOL-UHFFFAOYSA-N -1 1 338.234 3.750 20 10 EHCDMM NC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1Cl ZINC000787788705 1134040977 /nfs/dbraw/zinc/04/09/77/1134040977.db2.gz TUAUOVMALLGGDQ-UHFFFAOYSA-N -1 1 329.158 3.549 20 10 EHCDMM Cc1cc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)ccc1O ZINC001189390095 1134578906 /nfs/dbraw/zinc/57/89/06/1134578906.db2.gz SHCCBPBJYFPIAJ-UHFFFAOYSA-N -1 1 331.368 3.794 20 10 EHCDMM O=C(NC1CCC(C(F)(F)F)CC1)c1ccc(O)c([O-])c1Cl ZINC001193237037 1135117474 /nfs/dbraw/zinc/11/74/74/1135117474.db2.gz VIMBBLCBQXVVAW-UHFFFAOYSA-N -1 1 337.725 3.602 20 10 EHCDMM Cc1ccc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)c2ccccc12 ZINC001193865301 1135198289 /nfs/dbraw/zinc/19/82/89/1135198289.db2.gz XWKFCKZZORDBST-UHFFFAOYSA-N -1 1 349.358 3.933 20 10 EHCDMM CNC(=O)Nc1cc(NCc2cc(Cl)c(F)cc2[O-])ccc1F ZINC000816607933 1136740356 /nfs/dbraw/zinc/74/03/56/1136740356.db2.gz JYCJJLZKLGFJMG-UHFFFAOYSA-N -1 1 341.745 3.687 20 10 EHCDMM C[C@H]1COCCN1c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883067418 1137843362 /nfs/dbraw/zinc/84/33/62/1137843362.db2.gz HOCGDNRGCQNGKE-LBPRGKRZSA-N -1 1 334.366 3.508 20 10 EHCDMM O=C(NC1CCCC1)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883141608 1137846084 /nfs/dbraw/zinc/84/60/84/1137846084.db2.gz GLOKGUZIDAKUON-UHFFFAOYSA-N -1 1 346.377 3.955 20 10 EHCDMM C[C@@H](N[C@H](C)c1c([O-])cccc1F)c1noc(Cc2ccccc2)n1 ZINC000886536255 1138092420 /nfs/dbraw/zinc/09/24/20/1138092420.db2.gz DTHXINDEVVXOHP-CHWSQXEVSA-N -1 1 341.386 3.917 20 10 EHCDMM Cc1cc([O-])c(C[NH2+][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1Cl ZINC001594327232 958185094 /nfs/dbraw/zinc/18/50/94/958185094.db2.gz SQBYMBXOVJBCGH-WCFLWFBJSA-N -1 1 325.836 3.579 20 10 EHCDMM COc1ccc(OC(C)(C)C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890761175 1016387522 /nfs/dbraw/zinc/38/75/22/1016387522.db2.gz MUBKDINXUCVHNV-UHFFFAOYSA-N -1 1 349.814 3.528 20 10 EHCDMM O=C(C[C@@H](c1ccc(O)cc1)C1CC1)NCc1cccc(Cl)c1[O-] ZINC000890761485 1016394536 /nfs/dbraw/zinc/39/45/36/1016394536.db2.gz TXBDQKVNTNPVPX-MRXNPFEDSA-N -1 1 345.826 3.951 20 10 EHCDMM CCc1nc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])cs1 ZINC000328278276 1017843148 /nfs/dbraw/zinc/84/31/48/1017843148.db2.gz YKISOAQMICFMBR-UHFFFAOYSA-N -1 1 338.860 3.899 20 10 EHCDMM O=C(CSc1nc(-c2ccccc2)co1)c1ccc([O-])c(O)c1 ZINC000195099216 1041380652 /nfs/dbraw/zinc/38/06/52/1041380652.db2.gz OKHHGJHFLHCAFN-UHFFFAOYSA-N -1 1 327.361 3.728 20 10 EHCDMM CC(C)C[C@@H](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000765732852 1127751032 /nfs/dbraw/zinc/75/10/32/1127751032.db2.gz TUYBXMOJNRTNHV-LLVKDONJSA-N -1 1 328.250 3.843 20 10 EHCDMM Cc1cc(F)ccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765736523 1127755468 /nfs/dbraw/zinc/75/54/68/1127755468.db2.gz NDFUWEPOMNDOFI-UHFFFAOYSA-N -1 1 338.176 3.532 20 10 EHCDMM CC1(C)CCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765753015 1127765703 /nfs/dbraw/zinc/76/57/03/1127765703.db2.gz LXNZYNXUCHHREQ-LLVKDONJSA-N -1 1 326.234 3.597 20 10 EHCDMM Cc1ccc(CC(=O)NCc2cccc(Br)c2[O-])cc1C ZINC000765751608 1127766557 /nfs/dbraw/zinc/76/65/57/1127766557.db2.gz HLEJLNQADBDDKT-UHFFFAOYSA-N -1 1 348.240 3.630 20 10 EHCDMM C[C@@H]1CCC[C@H]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765751805 1127766731 /nfs/dbraw/zinc/76/67/31/1127766731.db2.gz SOLLCLFVUPONDO-MNOVXSKESA-N -1 1 326.234 3.597 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(Cl)cc1 ZINC000765754846 1127802116 /nfs/dbraw/zinc/80/21/16/1127802116.db2.gz XCXAWWDYUROOMZ-UHFFFAOYSA-N -1 1 340.604 3.738 20 10 EHCDMM CCC[C@@H](C(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000765771258 1128168044 /nfs/dbraw/zinc/16/80/44/1128168044.db2.gz YCDGYHITHNVPDY-GFCCVEGCSA-N -1 1 328.250 3.843 20 10 EHCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])C1CCC(F)CC1 ZINC001687180703 1120058820 /nfs/dbraw/zinc/05/88/20/1120058820.db2.gz YADOIFNZCZEGSK-ZBOXLXRLSA-N -1 1 328.815 3.762 20 10 EHCDMM O=C(NCc1ccc(N2CCCC2)cc1)c1cc(Cl)ccc1[O-] ZINC000917117120 1122511883 /nfs/dbraw/zinc/51/18/83/1122511883.db2.gz JFGREZRTKGIESE-UHFFFAOYSA-N -1 1 330.815 3.576 20 10 EHCDMM C[C@@H]1C[C@@H](C)[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000740860625 1131549679 /nfs/dbraw/zinc/54/96/79/1131549679.db2.gz GSTOLXWYOSCWDD-ZIAGYGMSSA-N -1 1 325.408 3.559 20 10 EHCDMM C[C@@H]1C[C@@H](C)[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000740860625 1131549684 /nfs/dbraw/zinc/54/96/84/1131549684.db2.gz GSTOLXWYOSCWDD-ZIAGYGMSSA-N -1 1 325.408 3.559 20 10 EHCDMM C[C@@H]1C[C@@H](C)[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000740860625 1131549687 /nfs/dbraw/zinc/54/96/87/1131549687.db2.gz GSTOLXWYOSCWDD-ZIAGYGMSSA-N -1 1 325.408 3.559 20 10 EHCDMM Cc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1N ZINC001174936727 1132512083 /nfs/dbraw/zinc/51/20/83/1132512083.db2.gz PJNWOYSSVKJDCI-UHFFFAOYSA-N -1 1 344.370 3.802 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])c1coc(-c2ccccc2)n1 ZINC001180411340 1133372760 /nfs/dbraw/zinc/37/27/60/1133372760.db2.gz WQVMTCIPGLZQKS-UHFFFAOYSA-N -1 1 328.755 3.631 20 10 EHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCCSCC1 ZINC001180740411 1133409583 /nfs/dbraw/zinc/40/95/83/1133409583.db2.gz NZTFMOIMXUVGAJ-UHFFFAOYSA-N -1 1 336.682 3.747 20 10 EHCDMM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)c1cccc2ccccc21 ZINC000789944627 1134350789 /nfs/dbraw/zinc/35/07/89/1134350789.db2.gz UAXIDOUKBIWJQO-NSHDSACASA-N -1 1 325.339 3.881 20 10 EHCDMM [O-]c1ccc(Cl)c(F)c1CNc1nnc(CC(F)(F)F)s1 ZINC000790240541 1134384122 /nfs/dbraw/zinc/38/41/22/1134384122.db2.gz HOOGMDOZPNJVNU-UHFFFAOYSA-N -1 1 341.717 3.753 20 10 EHCDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(Br)cn1 ZINC000790243448 1134384227 /nfs/dbraw/zinc/38/42/27/1134384227.db2.gz RGPRYWLNSNIYBM-UHFFFAOYSA-N -1 1 331.572 3.954 20 10 EHCDMM O=C(c1ccc(Cl)cc1)c1ccccc1[N-]S(=O)(=O)C1CCC1 ZINC001188137928 1134432184 /nfs/dbraw/zinc/43/21/84/1134432184.db2.gz KUNJQYDVLFSZEP-UHFFFAOYSA-N -1 1 349.839 3.865 20 10 EHCDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(N2CCOCC2)cc1 ZINC000790950757 1134483939 /nfs/dbraw/zinc/48/39/39/1134483939.db2.gz CQVLJCQMCODFQX-UHFFFAOYSA-N -1 1 336.794 3.633 20 10 EHCDMM Cc1cc(C)cc(C(=O)c2ccccc2[N-]S(=O)(=O)CCCF)c1 ZINC001189920970 1134636114 /nfs/dbraw/zinc/63/61/14/1134636114.db2.gz DMIRMEXYMPHUFH-UHFFFAOYSA-N -1 1 349.427 3.636 20 10 EHCDMM O=C(CNc1cc(Cl)nc2cc(F)ccc21)c1ccc([O-])c(O)c1 ZINC001170316382 1134745924 /nfs/dbraw/zinc/74/59/24/1134745924.db2.gz OYIURIAPHWODGA-UHFFFAOYSA-N -1 1 346.745 3.733 20 10 EHCDMM O=C(CNc1nc(Cl)c(F)cc1C(F)F)c1ccc([O-])c(O)c1 ZINC001170313771 1134745957 /nfs/dbraw/zinc/74/59/57/1134745957.db2.gz DQBPAHSFXGRWJI-UHFFFAOYSA-N -1 1 346.692 3.518 20 10 EHCDMM CC[C@H]1CCCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000793967140 1135008664 /nfs/dbraw/zinc/00/86/64/1135008664.db2.gz CJGBISACHHXDSV-AAEUAGOBSA-N -1 1 340.261 3.987 20 10 EHCDMM Cc1ccc2nc(NC(=O)c3ccc(O)c([O-])c3Cl)sc2c1 ZINC001193209903 1135114729 /nfs/dbraw/zinc/11/47/29/1135114729.db2.gz PYFWDCJPEOPOTE-UHFFFAOYSA-N -1 1 334.784 3.922 20 10 EHCDMM N=C(NC(=O)c1ccc(O)c([O-])c1Cl)C12CC3CC(CC(C3)C1)C2 ZINC001193237169 1135117344 /nfs/dbraw/zinc/11/73/44/1135117344.db2.gz ZHALFGXHNWXJMU-UHFFFAOYSA-N -1 1 348.830 3.675 20 10 EHCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000828006239 1135551576 /nfs/dbraw/zinc/55/15/76/1135551576.db2.gz KEXACKDIQAWTPN-GFCCVEGCSA-N -1 1 347.361 3.786 20 10 EHCDMM Cc1cccc2cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)sc21 ZINC000808630623 1135708097 /nfs/dbraw/zinc/70/80/97/1135708097.db2.gz LIUUDMTYZWKIFO-UHFFFAOYSA-N -1 1 342.372 3.661 20 10 EHCDMM CCc1ccc([C@H](COC)NCc2cc(Cl)cc(F)c2[O-])o1 ZINC000776178014 1136016356 /nfs/dbraw/zinc/01/63/56/1136016356.db2.gz XVJQOPNAPQUMHO-AWEZNQCLSA-N -1 1 327.783 3.817 20 10 EHCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000811519679 1136098158 /nfs/dbraw/zinc/09/81/58/1136098158.db2.gz BOSALZZELOGQGO-GFCCVEGCSA-N -1 1 346.645 3.996 20 10 EHCDMM CC(=O)Nc1cc(NCc2cc(Cl)c(F)cc2[O-])ccc1F ZINC000816524114 1136733715 /nfs/dbraw/zinc/73/37/15/1136733715.db2.gz RCMHXQYORGMVKE-UHFFFAOYSA-N -1 1 326.730 3.894 20 10 EHCDMM C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@H](C(F)(F)F)O1 ZINC000877825158 1137692312 /nfs/dbraw/zinc/69/23/12/1137692312.db2.gz XSVYZXQIVJGGGZ-QPUJVOFHSA-N -1 1 341.732 3.726 20 10 EHCDMM CC(C)[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728198636 1014948716 /nfs/dbraw/zinc/94/87/16/1014948716.db2.gz OUDKBYNPHDXWQQ-SFHVURJKSA-N -1 1 339.435 3.949 20 10 EHCDMM CC(C)[C@@H]1CCC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728198636 1014948720 /nfs/dbraw/zinc/94/87/20/1014948720.db2.gz OUDKBYNPHDXWQQ-SFHVURJKSA-N -1 1 339.435 3.949 20 10 EHCDMM O=C(C[C@H]1CCc2sccc2C1=O)NCc1cccc(Cl)c1[O-] ZINC000890762487 1016406641 /nfs/dbraw/zinc/40/66/41/1016406641.db2.gz DXWLJZOPFTTYAP-SNVBAGLBSA-N -1 1 349.839 3.559 20 10 EHCDMM O=S(=O)([N-]c1ccc(O)cc1)c1ccccc1-c1ccccc1 ZINC000192685385 1031188564 /nfs/dbraw/zinc/18/85/64/1031188564.db2.gz CPUFRTIMKXTFGE-UHFFFAOYSA-N -1 1 325.389 3.860 20 10 EHCDMM CCn1cc(N[C@@H](C)c2cc(Br)c(F)cc2[O-])cn1 ZINC000756856413 1042743269 /nfs/dbraw/zinc/74/32/69/1042743269.db2.gz PEFQEPANMLOGED-QMMMGPOBSA-N -1 1 328.185 3.683 20 10 EHCDMM COc1cc(F)c(N[C@H](C)c2cc(F)cc(F)c2[O-])cc1OC ZINC000756855980 1042746668 /nfs/dbraw/zinc/74/66/68/1042746668.db2.gz BXKBSCICQPAWQO-MRVPVSSYSA-N -1 1 327.302 4.000 20 10 EHCDMM CCC[C@H](CC)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764770231 1127531252 /nfs/dbraw/zinc/53/12/52/1127531252.db2.gz YIHQHAFNPPXZBC-NSHDSACASA-N -1 1 329.238 3.533 20 10 EHCDMM O=[N+]([O-])c1sccc1NCc1cccc(Br)c1[O-] ZINC000764933113 1127555440 /nfs/dbraw/zinc/55/54/40/1127555440.db2.gz CGHGEQACYDYITI-UHFFFAOYSA-N -1 1 329.175 3.737 20 10 EHCDMM Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1F ZINC000765727308 1127744587 /nfs/dbraw/zinc/74/45/87/1127744587.db2.gz LGKNMIMBTIRVRL-UHFFFAOYSA-N -1 1 338.176 3.532 20 10 EHCDMM Cc1ccc(CCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765753852 1127777750 /nfs/dbraw/zinc/77/77/50/1127777750.db2.gz QXZGTUABALUCBJ-UHFFFAOYSA-N -1 1 348.240 3.712 20 10 EHCDMM CCCCS[C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765770360 1128160187 /nfs/dbraw/zinc/16/01/87/1128160187.db2.gz OWQZRGFVMKYUEI-JTQLQIEISA-N -1 1 346.290 3.693 20 10 EHCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H]2c2ccc(O)cc2)c1[O-] ZINC000769104885 1133232224 /nfs/dbraw/zinc/23/22/24/1133232224.db2.gz KKZXFPOTRLEHOV-OAHLLOKOSA-N -1 1 348.786 3.997 20 10 EHCDMM C[C@H]1SCCN(Cc2cc(Br)cc(F)c2[O-])[C@@H]1C ZINC001180198490 1133347467 /nfs/dbraw/zinc/34/74/67/1133347467.db2.gz BPNSUVZJNSWNSZ-RKDXNWHRSA-N -1 1 334.254 3.620 20 10 EHCDMM O=C(N[C@H]1C[C@H](c2ccc(Cl)cc2)C1)c1c(F)ccc(O)c1[O-] ZINC001183268957 1133788180 /nfs/dbraw/zinc/78/81/80/1133788180.db2.gz VYZNIKGLYHEFTM-UMSPYCQHSA-N -1 1 335.762 3.566 20 10 EHCDMM CN(Cc1ccccc1C(F)(F)F)C(=O)c1c([O-])c(O)ccc1F ZINC000789952991 1134351470 /nfs/dbraw/zinc/35/14/70/1134351470.db2.gz LXPBUSMWXQCTAS-UHFFFAOYSA-N -1 1 343.276 3.528 20 10 EHCDMM Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1c(F)ccc(O)c1[O-] ZINC000789956279 1134351726 /nfs/dbraw/zinc/35/17/26/1134351726.db2.gz FEEFWNUOWLQHPI-LBPRGKRZSA-N -1 1 333.359 3.582 20 10 EHCDMM CC[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CC[C@H]1c1ccccc1 ZINC000789989629 1134356213 /nfs/dbraw/zinc/35/62/13/1134356213.db2.gz KCJHCWIETHTQCL-DZGCQCFKSA-N -1 1 343.398 3.893 20 10 EHCDMM O=C(CNc1ccc(F)c(C(F)(F)F)c1F)c1ccc([O-])c(O)c1 ZINC001170314958 1134745274 /nfs/dbraw/zinc/74/52/74/1134745274.db2.gz MUNWCSLLFRBAJE-UHFFFAOYSA-N -1 1 347.239 3.690 20 10 EHCDMM COc1cc(F)c(C(C)C)cc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170314908 1134745608 /nfs/dbraw/zinc/74/56/08/1134745608.db2.gz KLIJZQGGYRCECC-UHFFFAOYSA-N -1 1 333.359 3.664 20 10 EHCDMM O=C(CNc1cncc(Oc2ccccc2)c1)c1ccc([O-])c(O)c1 ZINC001170322193 1134747498 /nfs/dbraw/zinc/74/74/98/1134747498.db2.gz HAIOTNVMJVWWSM-UHFFFAOYSA-N -1 1 336.347 3.580 20 10 EHCDMM Cc1ccc2[nH]cc(CN(C)C(=O)c3ccc(O)c([O-])c3Cl)c2c1 ZINC001193232732 1135116428 /nfs/dbraw/zinc/11/64/28/1135116428.db2.gz NYCQJIUPMYUMSN-UHFFFAOYSA-N -1 1 344.798 3.813 20 10 EHCDMM O=C(Nc1cc2ccccc2cc1O)c1ccc(O)c([O-])c1Cl ZINC001193228852 1135119981 /nfs/dbraw/zinc/11/99/81/1135119981.db2.gz AEFRQADLFVSLBC-UHFFFAOYSA-N -1 1 329.739 3.862 20 10 EHCDMM CCOC(=O)[C@@H](Cc1ccccc1)N(C)Cc1cccc(Cl)c1[O-] ZINC000775686310 1135511369 /nfs/dbraw/zinc/51/13/69/1135511369.db2.gz HPCMMVUDUGHJTG-QGZVFWFLSA-N -1 1 347.842 3.652 20 10 EHCDMM O=[N+]([O-])c1cc(Cl)cc(CNCc2c(F)cc(F)cc2F)c1[O-] ZINC000815152791 1136558154 /nfs/dbraw/zinc/55/81/54/1136558154.db2.gz WQSYKPDIWWFGDX-UHFFFAOYSA-N -1 1 346.692 3.661 20 10 EHCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(N2CCOCC2)cc1 ZINC000816522841 1136733708 /nfs/dbraw/zinc/73/37/08/1136733708.db2.gz QOQFNIRPKUAIFY-UHFFFAOYSA-N -1 1 336.794 3.633 20 10 EHCDMM CC[C@@H](CC(C)C)C(=O)NCc1cccc(Br)c1[O-] ZINC000830530267 1137088718 /nfs/dbraw/zinc/08/87/18/1137088718.db2.gz YBNYWEZMYNNHEB-NSHDSACASA-N -1 1 328.250 3.843 20 10 EHCDMM O=C(c1ccc(F)cc1)C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877485225 1137678069 /nfs/dbraw/zinc/67/80/69/1137678069.db2.gz MZJLTYBPHWJQBX-UHFFFAOYSA-N -1 1 349.352 3.904 20 10 EHCDMM [O-]c1c(Br)cccc1CNc1cccc(CCCO)c1 ZINC000136221909 1138021108 /nfs/dbraw/zinc/02/11/08/1138021108.db2.gz WQUDMERKPRGYTI-UHFFFAOYSA-N -1 1 336.229 3.692 20 10 EHCDMM CCCC[N@@H+](Cc1ccccc1O)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595748027 982416688 /nfs/dbraw/zinc/41/66/88/982416688.db2.gz PKNVVBVOVOWIDM-GFCCVEGCSA-N -1 1 334.441 3.910 20 10 EHCDMM CCCCN(Cc1ccccc1O)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001595748027 982416690 /nfs/dbraw/zinc/41/66/90/982416690.db2.gz PKNVVBVOVOWIDM-GFCCVEGCSA-N -1 1 334.441 3.910 20 10 EHCDMM COc1cc(NCc2cccc(Br)c2[O-])ccc1F ZINC000160100470 1030539179 /nfs/dbraw/zinc/53/91/79/1030539179.db2.gz JBQFNJZGRGGHGD-UHFFFAOYSA-N -1 1 326.165 3.915 20 10 EHCDMM C[C@@H](CC(=O)NCc1cccc(Br)c1[O-])c1ccco1 ZINC000529173634 1033517995 /nfs/dbraw/zinc/51/79/95/1033517995.db2.gz XRYLESLTBOLVLL-JTQLQIEISA-N -1 1 338.201 3.558 20 10 EHCDMM Cc1nc(Cl)cc(NCc2cccc(Br)c2[O-])n1 ZINC000764935557 1127555119 /nfs/dbraw/zinc/55/51/19/1127555119.db2.gz WVYCULLSZBOUOM-UHFFFAOYSA-N -1 1 328.597 3.519 20 10 EHCDMM Cc1oc2ncnc(NCc3cccc(Br)c3[O-])c2c1C ZINC000765983675 1129464614 /nfs/dbraw/zinc/46/46/14/1129464614.db2.gz VUZRUMLQCXVMKZ-UHFFFAOYSA-N -1 1 348.200 3.920 20 10 EHCDMM Cc1cncc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c1 ZINC001174757738 1132466834 /nfs/dbraw/zinc/46/68/34/1132466834.db2.gz ZCZMNIMYKIRKPH-UHFFFAOYSA-N -1 1 330.343 3.615 20 10 EHCDMM O=C1N[C@@H](c2cc(Cl)cc(F)c2[O-])Nc2ccc(Cl)cc21 ZINC000768273020 1133119061 /nfs/dbraw/zinc/11/90/61/1133119061.db2.gz BTOMFWBCHUTYOU-ZDUSSCGKSA-N -1 1 327.142 3.692 20 10 EHCDMM COc1cc(F)c(NCc2cc(Cl)cc(F)c2[O-])cc1OC ZINC001178409161 1133167382 /nfs/dbraw/zinc/16/73/82/1133167382.db2.gz PTIOSGHUAPLNIJ-UHFFFAOYSA-N -1 1 329.730 3.953 20 10 EHCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H]2c2ccc(O)cc2)c1[O-] ZINC000769104881 1133232066 /nfs/dbraw/zinc/23/20/66/1133232066.db2.gz KKZXFPOTRLEHOV-HNNXBMFYSA-N -1 1 348.786 3.997 20 10 EHCDMM CN(C)c1ccc(CN(C(=O)c2c([O-])cccc2Cl)C2CC2)cc1 ZINC000769670993 1133327797 /nfs/dbraw/zinc/32/77/97/1133327797.db2.gz GRNJUYPQABQTTA-UHFFFAOYSA-N -1 1 344.842 3.916 20 10 EHCDMM CC(C)(C)c1ccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)s1 ZINC000769769647 1133339462 /nfs/dbraw/zinc/33/94/62/1133339462.db2.gz BRNVGTBCQZKBII-KAMYIIQDSA-N -1 1 326.421 3.507 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCSc2ccccc21 ZINC001180410876 1133371785 /nfs/dbraw/zinc/37/17/85/1133371785.db2.gz UGVGCLNGUHXYRB-CYBMUJFWSA-N -1 1 333.840 3.941 20 10 EHCDMM COc1nc(NC(=O)c2ccc(O)c([O-])c2Cl)cc2ccccc21 ZINC001193218747 1135115445 /nfs/dbraw/zinc/11/54/45/1135115445.db2.gz DBWYHBAHIYECPL-UHFFFAOYSA-N -1 1 344.754 3.560 20 10 EHCDMM CCCC(CCC)C(=O)NCc1cccc(Br)c1[O-] ZINC000765771220 1135674457 /nfs/dbraw/zinc/67/44/57/1135674457.db2.gz VTSRCDKBRISLCF-UHFFFAOYSA-N -1 1 328.250 3.987 20 10 EHCDMM CC(=O)N1CCCN(Cc2cccc(Cl)c2[O-])c2ccccc21 ZINC000809785814 1135891335 /nfs/dbraw/zinc/89/13/35/1135891335.db2.gz CRYLCZNXTUHOFL-UHFFFAOYSA-N -1 1 330.815 3.809 20 10 EHCDMM COC(=O)CCc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816565067 1136737381 /nfs/dbraw/zinc/73/73/81/1136737381.db2.gz AFVKACAKXFSMPL-UHFFFAOYSA-N -1 1 337.778 3.902 20 10 EHCDMM CN1C(=O)CCc2cc(NCc3cc(Cl)c(F)cc3[O-])ccc21 ZINC000816563717 1136737466 /nfs/dbraw/zinc/73/74/66/1136737466.db2.gz HVBMHWXCHOPCEP-UHFFFAOYSA-N -1 1 334.778 3.706 20 10 EHCDMM CC(C)n1cc(C(C)(C)NCc2cc(Cl)cc(Cl)c2[O-])nn1 ZINC000817419145 1136807250 /nfs/dbraw/zinc/80/72/50/1136807250.db2.gz BYSQPJJBPXAJHY-UHFFFAOYSA-N -1 1 343.258 3.896 20 10 EHCDMM CC[C@@H](NCc1nn(CC)nc1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000818347240 1136869320 /nfs/dbraw/zinc/86/93/20/1136869320.db2.gz YPDNKPYCKSIZME-GFCCVEGCSA-N -1 1 343.258 3.860 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1C[C@@H]1C1CCCC1 ZINC000846015371 1137325989 /nfs/dbraw/zinc/32/59/89/1137325989.db2.gz MOXMDJGOHCRVMF-OLZOCXBDSA-N -1 1 338.245 3.597 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1C[C@@H]1C1CCCC1 ZINC000846015367 1137326014 /nfs/dbraw/zinc/32/60/14/1137326014.db2.gz MOXMDJGOHCRVMF-CHWSQXEVSA-N -1 1 338.245 3.597 20 10 EHCDMM O=C1[N-]C(=O)C(=Cc2ccc3c(c2)CCN3Cc2ccccc2)S1 ZINC000874927593 1137626452 /nfs/dbraw/zinc/62/64/52/1137626452.db2.gz FFHMHSZJLWRCBS-GZTJUZNOSA-N -1 1 336.416 3.573 20 10 EHCDMM O=C([O-])c1ccc(CN(Cc2ccco2)Cc2ccccc2O)cc1 ZINC000833315443 601602373 /nfs/dbraw/zinc/60/23/73/601602373.db2.gz VKBHTWLELPEXGX-UHFFFAOYSA-N -1 1 337.375 3.886 20 10 EHCDMM CC(C)[C@@H](C)[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728196591 1014939388 /nfs/dbraw/zinc/93/93/88/1014939388.db2.gz VEVKVODWZGZHQL-CQSZACIVSA-N -1 1 327.424 3.805 20 10 EHCDMM CC1(C)CC[NH+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1 ZINC000728197091 1014946319 /nfs/dbraw/zinc/94/63/19/1014946319.db2.gz QNRNWULMZZVGIL-UHFFFAOYSA-N -1 1 339.435 3.951 20 10 EHCDMM CCOCCC1(C(=O)NCc2cccc(Cl)c2[O-])CCCC1 ZINC000890759610 1016381203 /nfs/dbraw/zinc/38/12/03/1016381203.db2.gz DSXFNOKEUQOURB-UHFFFAOYSA-N -1 1 325.836 3.649 20 10 EHCDMM CO[C@H](C)c1nc(CN[C@H](C)c2ccc(F)c(F)c2[O-])cs1 ZINC000276932156 1023406448 /nfs/dbraw/zinc/40/64/48/1023406448.db2.gz ONECYKJQJGUJOR-RKDXNWHRSA-N -1 1 328.384 3.685 20 10 EHCDMM CCC(=O)N1CCc2ccc(NCc3cccc(Cl)c3[O-])cc21 ZINC000897766189 1033156289 /nfs/dbraw/zinc/15/62/89/1033156289.db2.gz CHAHKACDECHTGB-UHFFFAOYSA-N -1 1 330.815 3.957 20 10 EHCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(Cl)cc1Br ZINC000178985276 1024265091 /nfs/dbraw/zinc/26/50/91/1024265091.db2.gz ZTAIJRKUHOYBRJ-BAQGIRSFSA-N -1 1 334.647 3.591 20 10 EHCDMM CCCCn1c(C)c(C)nc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000045536898 1036493080 /nfs/dbraw/zinc/49/30/80/1036493080.db2.gz UDTKHDPEDWMJFT-UHFFFAOYSA-N -1 1 334.441 3.686 20 10 EHCDMM CCCCc1nnc(NCc2cc(Br)cc(F)c2[O-])o1 ZINC000905407302 1038865648 /nfs/dbraw/zinc/86/56/48/1038865648.db2.gz CWJJEXHJFYCQDD-UHFFFAOYSA-N -1 1 344.184 3.632 20 10 EHCDMM C[C@@]1(CF)CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141367968 1042663194 /nfs/dbraw/zinc/66/31/94/1042663194.db2.gz YMDPLIMHRHJONI-ZDUSSCGKSA-N -1 1 336.632 3.990 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cccc(F)c1 ZINC000765212871 1127584986 /nfs/dbraw/zinc/58/49/86/1127584986.db2.gz UMDYGBVWTNDKEX-UHFFFAOYSA-N -1 1 339.164 3.616 20 10 EHCDMM CCN1C(=O)c2ccccc2N[C@@H]1c1cccc(Br)c1[O-] ZINC000054682247 1128482494 /nfs/dbraw/zinc/48/24/94/1128482494.db2.gz ZLEFIFXSESKCJI-HNNXBMFYSA-N -1 1 347.212 3.741 20 10 EHCDMM O=C(Nc1cccc(N2CCCCCC2)c1)c1ccc(O)cc1[O-] ZINC000740800724 1131546095 /nfs/dbraw/zinc/54/60/95/1131546095.db2.gz BXZMHOAERFRTLN-UHFFFAOYSA-N -1 1 326.396 3.731 20 10 EHCDMM CC[C@H]1C[C@H](C)C[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000744441617 1132101031 /nfs/dbraw/zinc/10/10/31/1132101031.db2.gz PRLTUGAXYQXHFO-HOCLYGCPSA-N -1 1 339.435 3.949 20 10 EHCDMM CC[C@H]1C[C@H](C)C[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000744441617 1132101037 /nfs/dbraw/zinc/10/10/37/1132101037.db2.gz PRLTUGAXYQXHFO-HOCLYGCPSA-N -1 1 339.435 3.949 20 10 EHCDMM COCCOc1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC001177399919 1133062111 /nfs/dbraw/zinc/06/21/11/1133062111.db2.gz SQBAQTCGASICIS-UHFFFAOYSA-N -1 1 325.767 3.822 20 10 EHCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H]2c2ccccn2)c1[O-] ZINC000768354870 1133128909 /nfs/dbraw/zinc/12/89/09/1133128909.db2.gz KCKHKWSEOPZCCV-CQSZACIVSA-N -1 1 333.775 3.686 20 10 EHCDMM CC[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CC[C@@H]1c1ccccc1 ZINC000789989636 1134356175 /nfs/dbraw/zinc/35/61/75/1134356175.db2.gz KCJHCWIETHTQCL-ZFWWWQNUSA-N -1 1 343.398 3.893 20 10 EHCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)c2ccccc21 ZINC001189385682 1134577598 /nfs/dbraw/zinc/57/75/98/1134577598.db2.gz NPMYYXGKTSLWQC-UHFFFAOYSA-N -1 1 331.368 3.794 20 10 EHCDMM O=S(=O)([N-]c1ccc(O)c(F)c1)c1ccc(F)c2ccccc21 ZINC001189390039 1134579350 /nfs/dbraw/zinc/57/93/50/1134579350.db2.gz QIIXKXASHGJJJY-UHFFFAOYSA-N -1 1 335.331 3.624 20 10 EHCDMM COc1cc(NCc2cccc(Cl)c2[O-])cc(-n2cccn2)c1 ZINC000793268439 1134892648 /nfs/dbraw/zinc/89/26/48/1134892648.db2.gz HHHLFDDTIHEXFB-UHFFFAOYSA-N -1 1 329.787 3.852 20 10 EHCDMM O=C(N[C@@H](c1ccccc1F)C1CC1)c1ccc(O)c([O-])c1Cl ZINC001193246959 1135118003 /nfs/dbraw/zinc/11/80/03/1135118003.db2.gz FPBUCISLVKKMGF-OAHLLOKOSA-N -1 1 335.762 3.771 20 10 EHCDMM Cc1c(NC(=O)NCc2cccc(Cl)c2[O-])cccc1[N+](=O)[O-] ZINC001197598093 1135712452 /nfs/dbraw/zinc/71/24/52/1135712452.db2.gz CQTWJTLHNBCXOH-UHFFFAOYSA-N -1 1 335.747 3.584 20 10 EHCDMM CC(=O)c1cc(Cl)cc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1[O-] ZINC000810026897 1135911536 /nfs/dbraw/zinc/91/15/36/1135911536.db2.gz XNHZGYNDYVNJAE-WBVHZDCISA-N -1 1 337.847 3.638 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CC2CCC1CC2 ZINC000816495881 1136725246 /nfs/dbraw/zinc/72/52/46/1136725246.db2.gz NCGUAHLTWVVTQT-XIVSLSHWSA-N -1 1 338.245 3.597 20 10 EHCDMM COCCOc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816523526 1136733518 /nfs/dbraw/zinc/73/35/18/1136733518.db2.gz UAMIBYZQBZPNSL-UHFFFAOYSA-N -1 1 325.767 3.822 20 10 EHCDMM Cn1cc(NCc2cc(Cl)c(F)cc2[O-])c(-c2ccccn2)n1 ZINC000816566928 1136738197 /nfs/dbraw/zinc/73/81/97/1136738197.db2.gz LRZNBPFVHMDEDT-UHFFFAOYSA-N -1 1 332.766 3.592 20 10 EHCDMM C[C@H]1CCCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000819513161 1136949699 /nfs/dbraw/zinc/94/96/99/1136949699.db2.gz BCXDSQABJDSCDG-CMPLNLGQSA-N -1 1 326.234 3.597 20 10 EHCDMM CC1=C(C)C[C@@H](C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000843866001 1137185111 /nfs/dbraw/zinc/18/51/11/1137185111.db2.gz BQYWMMPCBRXIIF-LBPRGKRZSA-N -1 1 338.245 3.907 20 10 EHCDMM C[C@@H]1CN(Cc2cc(Br)c(F)cc2[O-])CCC1(F)F ZINC001144299212 1137268461 /nfs/dbraw/zinc/26/84/61/1137268461.db2.gz RPOLOMVFJKNSBX-MRVPVSSYSA-N -1 1 338.167 3.771 20 10 EHCDMM CC[C@@H](NCc1ncnn1CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000794842032 1137288984 /nfs/dbraw/zinc/28/89/84/1137288984.db2.gz PARNOUALRYGMOD-LLVKDONJSA-N -1 1 329.231 3.551 20 10 EHCDMM CCn1ncc(N[C@H](C)c2cc(Br)c(F)cc2[O-])c1C ZINC000872137480 1137573736 /nfs/dbraw/zinc/57/37/36/1137573736.db2.gz MCJIWIYMYQQNHM-MRVPVSSYSA-N -1 1 342.212 3.992 20 10 EHCDMM COc1ccc2c(c1)C(=O)N(C1CC1)[C@H](c1cccc(Cl)c1[O-])N2 ZINC000106899814 1137884971 /nfs/dbraw/zinc/88/49/71/1137884971.db2.gz PBTPJMQAGFSARK-QGZVFWFLSA-N -1 1 344.798 3.783 20 10 EHCDMM O=C([O-])C[N@H+](Cc1ccc(Cl)cc1)Cc1cc(Cl)ccc1[O-] ZINC000739797088 600145737 /nfs/dbraw/zinc/14/57/37/600145737.db2.gz PCOXECPYUBHBNF-UHFFFAOYSA-N -1 1 340.206 3.786 20 10 EHCDMM O=C([O-])C[N@@H+](Cc1ccc(Cl)cc1)Cc1cc(Cl)ccc1[O-] ZINC000739797088 600145739 /nfs/dbraw/zinc/14/57/39/600145739.db2.gz PCOXECPYUBHBNF-UHFFFAOYSA-N -1 1 340.206 3.786 20 10 EHCDMM CC(C)C[N@@H+](Cc1c([O-])ccc(Cl)c1F)CC(C)(C)C(=O)[O-] ZINC001591342534 992322104 /nfs/dbraw/zinc/32/21/04/992322104.db2.gz GPEXNJBEDSESPX-UHFFFAOYSA-N -1 1 331.815 3.754 20 10 EHCDMM C[C@@H](N[C@@H](C)c1ncc(C(=O)[O-])s1)c1cc(Cl)ccc1O ZINC001593198027 994167871 /nfs/dbraw/zinc/16/78/71/994167871.db2.gz NIHAOOVLINJGOF-SFYZADRCSA-N -1 1 326.805 3.612 20 10 EHCDMM C[C@H]([NH2+]Cc1ccc2ccccc2c1[O-])[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593305328 994763278 /nfs/dbraw/zinc/76/32/78/994763278.db2.gz YCJYZVRPNOUXRJ-YWZLYKJASA-N -1 1 349.430 3.967 20 10 EHCDMM C[C@@H]1CCC[C@@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001594346011 999310862 /nfs/dbraw/zinc/31/08/62/999310862.db2.gz KQAADAMZSOMEGY-CHWSQXEVSA-N -1 1 325.836 3.759 20 10 EHCDMM C[C@@H]1CCC[C@@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001594346011 999310867 /nfs/dbraw/zinc/31/08/67/999310867.db2.gz KQAADAMZSOMEGY-CHWSQXEVSA-N -1 1 325.836 3.759 20 10 EHCDMM CC(C)(C)c1cnc(CCC(=O)NCc2cccc(Cl)c2[O-])o1 ZINC000890759691 1016381230 /nfs/dbraw/zinc/38/12/30/1016381230.db2.gz OTKVCNHPUPTFJW-UHFFFAOYSA-N -1 1 336.819 3.580 20 10 EHCDMM Cc1cccc(CO[C@H](C)C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000890762358 1016403184 /nfs/dbraw/zinc/40/31/84/1016403184.db2.gz AFFJBSDTKXXLHN-CYBMUJFWSA-N -1 1 333.815 3.576 20 10 EHCDMM CC(C)COC[C@H](N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccco1 ZINC000273605134 1027515500 /nfs/dbraw/zinc/51/55/00/1027515500.db2.gz TVSQDWADXDHPHM-CJNGLKHVSA-N -1 1 348.399 3.958 20 10 EHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@@]12CCOC2 ZINC000708139785 1027875594 /nfs/dbraw/zinc/87/55/94/1027875594.db2.gz IPTVCUWTVKPZCZ-AWEZNQCLSA-N -1 1 346.652 3.563 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCCc2sccc21 ZINC000894255767 1028153747 /nfs/dbraw/zinc/15/37/47/1028153747.db2.gz UJIZALGEZVNFCY-CYBMUJFWSA-N -1 1 336.844 3.984 20 10 EHCDMM CC(C)(C)n1ncc2c1ncnc2NCc1cccc(Cl)c1[O-] ZINC000897391940 1032020795 /nfs/dbraw/zinc/02/07/95/1032020795.db2.gz GMIMIBLVEVSKAS-UHFFFAOYSA-N -1 1 331.807 3.552 20 10 EHCDMM CC1(C)CCC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764790169 1127533625 /nfs/dbraw/zinc/53/36/25/1127533625.db2.gz HRSNERANVRJASH-LBPRGKRZSA-N -1 1 341.249 3.533 20 10 EHCDMM CC(C)CC(C)(C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765728968 1127746369 /nfs/dbraw/zinc/74/63/69/1127746369.db2.gz WYUMMZJVRIUSOQ-UHFFFAOYSA-N -1 1 328.250 3.843 20 10 EHCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])ccc1F ZINC000765764451 1127991460 /nfs/dbraw/zinc/99/14/60/1127991460.db2.gz KFFLHEMWAWHPFR-UHFFFAOYSA-N -1 1 338.176 3.532 20 10 EHCDMM CC(C)c1ccc2c(c1)CN(C(=O)c1c([O-])c(O)ccc1F)CC2 ZINC001648905033 1120065306 /nfs/dbraw/zinc/06/53/06/1120065306.db2.gz RSSZIYMIKVCXPP-UHFFFAOYSA-N -1 1 329.371 3.559 20 10 EHCDMM O=C1OCCN1c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC001177404123 1133062524 /nfs/dbraw/zinc/06/25/24/1133062524.db2.gz WHSBLHSSKUPTOY-UHFFFAOYSA-N -1 1 336.750 3.753 20 10 EHCDMM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001202079950 1136091333 /nfs/dbraw/zinc/09/13/33/1136091333.db2.gz IOUYVIPXUAYLSM-UHFFFAOYSA-N -1 1 349.774 3.892 20 10 EHCDMM O=C1NCCCN1c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816527221 1136734318 /nfs/dbraw/zinc/73/43/18/1136734318.db2.gz AODQJDWOLJQELQ-UHFFFAOYSA-N -1 1 349.793 3.717 20 10 EHCDMM [O-]c1cc(F)c(Cl)cc1CNc1cncc(Br)c1 ZINC000816559330 1136736907 /nfs/dbraw/zinc/73/69/07/1136736907.db2.gz FYJDFLASABSQJD-UHFFFAOYSA-N -1 1 331.572 3.954 20 10 EHCDMM CC(C)(C)CC[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864509928 1137230880 /nfs/dbraw/zinc/23/08/80/1137230880.db2.gz PPMBQICTBYFSQS-LBPRGKRZSA-N -1 1 344.249 3.524 20 10 EHCDMM CCn1ncc(N[C@@H](C)c2cc(Br)c(F)cc2[O-])c1C ZINC000872137481 1137573783 /nfs/dbraw/zinc/57/37/83/1137573783.db2.gz MCJIWIYMYQQNHM-QMMMGPOBSA-N -1 1 342.212 3.992 20 10 EHCDMM O=C1CCC[C@@H](c2cccc(NCc3cc(F)cc(F)c3[O-])c2)N1 ZINC000886371646 1138071706 /nfs/dbraw/zinc/07/17/06/1138071706.db2.gz QMETVDISGWRKAG-INIZCTEOSA-N -1 1 332.350 3.624 20 10 EHCDMM O=C([O-])C[N@H+](C/C=C\c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000739783834 600506226 /nfs/dbraw/zinc/50/62/26/600506226.db2.gz OGVRHLPFVKRMFY-DAXSKMNVSA-N -1 1 331.799 3.646 20 10 EHCDMM O=C([O-])C[N@@H+](C/C=C\c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000739783834 600506227 /nfs/dbraw/zinc/50/62/27/600506227.db2.gz OGVRHLPFVKRMFY-DAXSKMNVSA-N -1 1 331.799 3.646 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@]1(c2ccccc2)C[C@H](F)C1 ZINC000890763376 1016419705 /nfs/dbraw/zinc/41/97/05/1016419705.db2.gz UOKAFXGDCUDDAV-PPUGGXLSSA-N -1 1 333.790 3.732 20 10 EHCDMM CCC[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccccn1 ZINC000892806317 1017478503 /nfs/dbraw/zinc/47/85/03/1017478503.db2.gz GKGLQWHFUCOHQI-HNNXBMFYSA-N -1 1 333.819 3.781 20 10 EHCDMM Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)ccc1O ZINC000148640511 1032845583 /nfs/dbraw/zinc/84/55/83/1032845583.db2.gz GVMCPVJDDXEOAE-UHFFFAOYSA-N -1 1 332.208 3.808 20 10 EHCDMM CCOCc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000891870705 1023158186 /nfs/dbraw/zinc/15/81/86/1023158186.db2.gz VWBWWEAMIUFFSP-UHFFFAOYSA-N -1 1 348.830 3.582 20 10 EHCDMM COC(=O)c1ccc(NCc2cc(Cl)cc(F)c2[O-])c(OC)c1 ZINC000783696398 1031082744 /nfs/dbraw/zinc/08/27/44/1031082744.db2.gz BIFWSWHTERLRLP-UHFFFAOYSA-N -1 1 339.750 3.592 20 10 EHCDMM O=C(NC1CC1)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000195076719 1041377794 /nfs/dbraw/zinc/37/77/94/1041377794.db2.gz GYJLPRGCFGXJDC-UHFFFAOYSA-N -1 1 334.778 3.689 20 10 EHCDMM CC1(C)CC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764806717 1127537560 /nfs/dbraw/zinc/53/75/60/1127537560.db2.gz PKEYRBODHYOWET-LLVKDONJSA-N -1 1 341.249 3.533 20 10 EHCDMM [O-]c1c(Br)cccc1CNc1ncnc2ccc(F)cc21 ZINC000764935350 1127555993 /nfs/dbraw/zinc/55/59/93/1127555993.db2.gz RTQJDKMNGYJAJV-UHFFFAOYSA-N -1 1 348.175 3.849 20 10 EHCDMM O=C(/C=C/c1ccsc1)NCc1cccc(Br)c1[O-] ZINC000765728418 1127747076 /nfs/dbraw/zinc/74/70/76/1127747076.db2.gz RJQGMHWYXQTOOQ-SNAWJCMRSA-N -1 1 338.226 3.546 20 10 EHCDMM CC[C@H](C(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765764489 1127991923 /nfs/dbraw/zinc/99/19/23/1127991923.db2.gz LBRKMVKLZPAVRM-AWEZNQCLSA-N -1 1 348.240 3.965 20 10 EHCDMM C/C(=C\C(=O)NCc1cccc(Br)c1[O-])C(C)(C)C ZINC000765770244 1128166282 /nfs/dbraw/zinc/16/62/82/1128166282.db2.gz NALMACMSHFZIJI-CSKARUKUSA-N -1 1 326.234 3.763 20 10 EHCDMM CC1CCN(c2cccc([N-]S(=O)(=O)c3cccc(F)c3)c2)CC1 ZINC000740609935 1131534821 /nfs/dbraw/zinc/53/48/21/1131534821.db2.gz POQQBINBQMYEMZ-UHFFFAOYSA-N -1 1 348.443 3.863 20 10 EHCDMM Cc1ccc2c(CC(=O)NCc3cccc(Cl)c3[O-])c[nH]c2c1 ZINC001180410950 1133371319 /nfs/dbraw/zinc/37/13/19/1133371319.db2.gz VYSAMYMUHWYJPR-UHFFFAOYSA-N -1 1 328.799 3.694 20 10 EHCDMM Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1ccc([O-])c(F)c1 ZINC001186243080 1134186146 /nfs/dbraw/zinc/18/61/46/1134186146.db2.gz XHTMMDMOUIGQSV-SFHVURJKSA-N -1 1 343.398 3.907 20 10 EHCDMM CN(Cc1cccc2ccccc21)C(=O)c1c([O-])c(O)ccc1F ZINC000789958654 1134351307 /nfs/dbraw/zinc/35/13/07/1134351307.db2.gz AAIIHOJCUZIOEB-UHFFFAOYSA-N -1 1 325.339 3.662 20 10 EHCDMM COc1cc(OC)c(NCc2c([O-])ccc(Cl)c2F)cc1F ZINC000790983005 1134495811 /nfs/dbraw/zinc/49/58/11/1134495811.db2.gz ZFNIWLFJAGSEOL-UHFFFAOYSA-N -1 1 329.730 3.953 20 10 EHCDMM CC(=O)c1cc(Cl)cc(CN2CC(C)(C)OCC2(C)C)c1[O-] ZINC001191084947 1134799574 /nfs/dbraw/zinc/79/95/74/1134799574.db2.gz FKWBYUWADFYNIL-UHFFFAOYSA-N -1 1 325.836 3.638 20 10 EHCDMM CN(C(=O)c1ccc(O)c([O-])c1Cl)[C@H](C1CCC1)C(F)(F)F ZINC001193233287 1135116338 /nfs/dbraw/zinc/11/63/38/1135116338.db2.gz XJBSIHOSFQVRIN-GFCCVEGCSA-N -1 1 337.725 3.554 20 10 EHCDMM O=C(Nc1ccc(F)c2cnccc12)c1ccc(O)c([O-])c1Cl ZINC001193230528 1135119637 /nfs/dbraw/zinc/11/96/37/1135119637.db2.gz UBIQFPSJVPJZFL-UHFFFAOYSA-N -1 1 332.718 3.691 20 10 EHCDMM O=C1CCCN1c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816479341 1136723031 /nfs/dbraw/zinc/72/30/31/1136723031.db2.gz IOUDBEGLZOOPSV-UHFFFAOYSA-N -1 1 334.778 3.924 20 10 EHCDMM CCNC(=O)c1ccc(C)c(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816525307 1136733463 /nfs/dbraw/zinc/73/34/63/1136733463.db2.gz NNTUAWXEWDRPCY-UHFFFAOYSA-N -1 1 336.794 3.855 20 10 EHCDMM COc1ccc(N(C)Cc2cc(Cl)c(F)cc2[O-])cc1OC ZINC000816569285 1136738123 /nfs/dbraw/zinc/73/81/23/1136738123.db2.gz GDYWUABQUFRGIR-UHFFFAOYSA-N -1 1 325.767 3.838 20 10 EHCDMM C[C@@H]1CN(Cc2cc(Cl)c(F)cc2[O-])c2ccccc2N(C)C1=O ZINC000816613436 1136741986 /nfs/dbraw/zinc/74/19/86/1136741986.db2.gz UNCGSJRUMFWYFT-LLVKDONJSA-N -1 1 348.805 3.804 20 10 EHCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000883001352 1137841249 /nfs/dbraw/zinc/84/12/49/1137841249.db2.gz BQELKGCVIWEOMR-INIZCTEOSA-N -1 1 335.350 3.840 20 10 EHCDMM CC[C@H]([NH2+][C@@H]1CC=C(C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1[O-] ZINC001595281450 980334156 /nfs/dbraw/zinc/33/41/56/980334156.db2.gz OEIMSHUZRXWNKH-YPMHNXCESA-N -1 1 329.318 3.625 20 10 EHCDMM CC(C)COC[C@H](N[C@H](C)c1cc(C(=O)[O-])ccc1O)c1ccco1 ZINC001591391355 992451684 /nfs/dbraw/zinc/45/16/84/992451684.db2.gz XKTAPOLBNDGHBA-CJNGLKHVSA-N -1 1 347.411 3.748 20 10 EHCDMM Cc1ccc(CO[C@@H](C)C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890760940 1016389041 /nfs/dbraw/zinc/38/90/41/1016389041.db2.gz FLNYCAPNPRSSNF-ZDUSSCGKSA-N -1 1 333.815 3.576 20 10 EHCDMM COc1cc(-c2ccccc2)ccc1C=C1SC(=S)[N-]C1=O ZINC000588417633 1021140487 /nfs/dbraw/zinc/14/04/87/1021140487.db2.gz SIZIISXPSHYZPR-XNTDXEJSSA-N -1 1 327.430 3.851 20 10 EHCDMM Cc1noc2ncc(NCc3cccc(Br)c3[O-])cc12 ZINC000780395066 1021575274 /nfs/dbraw/zinc/57/52/74/1021575274.db2.gz BZXFNKGSJYIHGG-UHFFFAOYSA-N -1 1 334.173 3.611 20 10 EHCDMM [O-]c1cc(F)c(F)cc1CN1Cc2ccc(Br)cc2C1 ZINC001142509129 1033079435 /nfs/dbraw/zinc/07/94/35/1033079435.db2.gz XWFMMOZKNLSJDA-UHFFFAOYSA-N -1 1 340.167 3.949 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])C1CCC(F)(F)CC1 ZINC000277410994 1025011022 /nfs/dbraw/zinc/01/10/22/1025011022.db2.gz CCZKVIWYZFKIOG-UHFFFAOYSA-N -1 1 348.187 3.596 20 10 EHCDMM CCC(F)(F)C(C)(C)CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000895993142 1025060580 /nfs/dbraw/zinc/06/05/80/1025060580.db2.gz QJIBRGHNJKIGEM-UHFFFAOYSA-N -1 1 334.794 3.916 20 10 EHCDMM C[C@H](CC(=O)NCc1cccc(Br)c1[O-])c1ccco1 ZINC000529173636 1033517427 /nfs/dbraw/zinc/51/74/27/1033517427.db2.gz XRYLESLTBOLVLL-SNVBAGLBSA-N -1 1 338.201 3.558 20 10 EHCDMM O=C(NCC[C@H]1CCC(F)(F)C1)NCc1cccc(Cl)c1[O-] ZINC000898487640 1039151398 /nfs/dbraw/zinc/15/13/98/1039151398.db2.gz NQXKMOSSLRWDRP-SNVBAGLBSA-N -1 1 332.778 3.670 20 10 EHCDMM Cc1cc(NCc2c([O-])ccc(Cl)c2F)nn1CC(F)(F)F ZINC000842223392 1039984027 /nfs/dbraw/zinc/98/40/27/1039984027.db2.gz IHJSKIVUMDWRBR-UHFFFAOYSA-N -1 1 337.704 3.864 20 10 EHCDMM Cc1cc(CCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)s1 ZINC000784062391 1041168818 /nfs/dbraw/zinc/16/88/18/1041168818.db2.gz QSLFNNRHBWJZJJ-UHFFFAOYSA-N -1 1 348.420 3.525 20 10 EHCDMM CC1(C)CCC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764790167 1127533685 /nfs/dbraw/zinc/53/36/85/1127533685.db2.gz HRSNERANVRJASH-GFCCVEGCSA-N -1 1 341.249 3.533 20 10 EHCDMM C[C@@H]1CCCC[C@H]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765754776 1127798170 /nfs/dbraw/zinc/79/81/70/1127798170.db2.gz WOZJLTZYDVJFHH-NEPJUHHUSA-N -1 1 340.261 3.987 20 10 EHCDMM [O-]c1c(Br)cccc1CNC(=S)Nc1ccccc1 ZINC000765978948 1129406378 /nfs/dbraw/zinc/40/63/78/1129406378.db2.gz YQUWVGIKDJRCGI-UHFFFAOYSA-N -1 1 337.242 3.641 20 10 EHCDMM O=C(NCc1ccc(N2CCCCC2)cc1)c1c([O-])cccc1Cl ZINC000742830074 1131803337 /nfs/dbraw/zinc/80/33/37/1131803337.db2.gz DKSJGWNGAFLOAN-UHFFFAOYSA-N -1 1 344.842 3.966 20 10 EHCDMM Cc1ccc(C)n1-c1ccc(-c2noc(-c3ccncc3[O-])n2)cc1 ZINC001212721399 1132055923 /nfs/dbraw/zinc/05/59/23/1132055923.db2.gz OIULCUUFQWZGLO-UHFFFAOYSA-N -1 1 332.363 3.912 20 10 EHCDMM [O-]c1c(F)cc(Cl)cc1CNc1ccc(N2CCOCC2)cc1 ZINC001177370847 1133057658 /nfs/dbraw/zinc/05/76/58/1133057658.db2.gz PZVWQMPDBPETHQ-UHFFFAOYSA-N -1 1 336.794 3.633 20 10 EHCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000790409945 1134412806 /nfs/dbraw/zinc/41/28/06/1134412806.db2.gz XNZMSVKMYXPYCB-UHFFFAOYSA-N -1 1 335.425 3.517 20 10 EHCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000790415732 1134413757 /nfs/dbraw/zinc/41/37/57/1134413757.db2.gz JSVLDYSGSLCUPU-UHFFFAOYSA-N -1 1 329.780 3.548 20 10 EHCDMM Cc1cc([N-]S(=O)(=O)c2cc(F)cc(C(F)(F)F)c2)ccc1O ZINC001189982915 1134646622 /nfs/dbraw/zinc/64/66/22/1134646622.db2.gz SPSJQTIQKMVWDZ-UHFFFAOYSA-N -1 1 349.305 3.659 20 10 EHCDMM O=C1CCCN1c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC001199514394 1135910486 /nfs/dbraw/zinc/91/04/86/1135910486.db2.gz LWDWYLGMTAKSIR-UHFFFAOYSA-N -1 1 334.778 3.924 20 10 EHCDMM O=C1CSc2ccc(NCc3cc(Cl)c(F)cc3[O-])cc2N1 ZINC000816527868 1136734124 /nfs/dbraw/zinc/73/41/24/1136734124.db2.gz CAXONKQALVNICI-UHFFFAOYSA-N -1 1 338.791 3.841 20 10 EHCDMM [O-]c1c(Cl)cc(Cl)cc1CNCc1c(F)ccc(O)c1F ZINC000816612615 1136741920 /nfs/dbraw/zinc/74/19/20/1136741920.db2.gz UNLTUPOOQRALFA-UHFFFAOYSA-N -1 1 334.149 3.973 20 10 EHCDMM Cc1cc(C(=O)Nc2c(C)[n-][nH]c2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000820402630 1136990431 /nfs/dbraw/zinc/99/04/31/1136990431.db2.gz MPRNRZUZLMQOKJ-UHFFFAOYSA-N -1 1 344.802 3.737 20 10 EHCDMM Cc1cc(C(=O)Nc2c(C)[n-][nH]c2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000820402084 1136990511 /nfs/dbraw/zinc/99/05/11/1136990511.db2.gz HNOJJPCDASMHMC-UHFFFAOYSA-N -1 1 338.411 3.700 20 10 EHCDMM COc1nc(Br)ccc1NCc1cccc(Cl)c1[O-] ZINC000789595749 1137177111 /nfs/dbraw/zinc/17/71/11/1137177111.db2.gz UALCOIUKSSCXSM-UHFFFAOYSA-N -1 1 343.608 3.824 20 10 EHCDMM C[C@H](Nc1cccc([C@]2(C)COC(=O)N2)c1)c1cc(F)cc(F)c1[O-] ZINC000883329905 1137855401 /nfs/dbraw/zinc/85/54/01/1137855401.db2.gz UDSIAIABIFWQKH-YPMLDQLKSA-N -1 1 348.349 3.799 20 10 EHCDMM C[C@H](Nc1cccc([C@@]2(C)COC(=O)N2)c1)c1cc(F)cc(F)c1[O-] ZINC000883329904 1137855409 /nfs/dbraw/zinc/85/54/09/1137855409.db2.gz UDSIAIABIFWQKH-XTZNXHDOSA-N -1 1 348.349 3.799 20 10 EHCDMM CCn1cc(Cl)c(NCc2cc(Br)cc(F)c2[O-])n1 ZINC000886370013 1138071486 /nfs/dbraw/zinc/07/14/86/1138071486.db2.gz UGZVMCFBUKRXMN-UHFFFAOYSA-N -1 1 348.603 3.776 20 10 EHCDMM CC[C@H]([NH2+][C@H]1CC=C(C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1[O-] ZINC001595281447 980334737 /nfs/dbraw/zinc/33/47/37/980334737.db2.gz OEIMSHUZRXWNKH-AAEUAGOBSA-N -1 1 329.318 3.625 20 10 EHCDMM CC[C@@](C)(C(=O)[O-])[N@H+](Cc1c([O-])ccc(Cl)c1F)CC1CC1 ZINC001594787611 981824352 /nfs/dbraw/zinc/82/43/52/981824352.db2.gz JCUVMKNCQYLGKU-INIZCTEOSA-N -1 1 329.799 3.650 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])C1CC(c2ccc(F)cc2)C1 ZINC000890759777 1016382019 /nfs/dbraw/zinc/38/20/19/1016382019.db2.gz RGGHLEDSRPVIFW-UHFFFAOYSA-N -1 1 333.790 3.995 20 10 EHCDMM CC(C)n1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)n1 ZINC001210343831 1017831697 /nfs/dbraw/zinc/83/16/97/1017831697.db2.gz NTYNXQDCMNDCFA-UHFFFAOYSA-N -1 1 347.374 3.689 20 10 EHCDMM CC(C)[C@@H](CC(F)(F)F)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000894334830 1021823877 /nfs/dbraw/zinc/82/38/77/1021823877.db2.gz DNWWAZXNXIEJMP-LLVKDONJSA-N -1 1 338.757 3.822 20 10 EHCDMM [O-]c1c(F)cc(Br)cc1CNc1cnn(C2CCC2)c1 ZINC000897879992 1033221231 /nfs/dbraw/zinc/22/12/31/1033221231.db2.gz USTUMCMSSXMDOK-UHFFFAOYSA-N -1 1 340.196 3.827 20 10 EHCDMM O=C1[N-]C(=S)S/C1=C\c1cc(Br)c(Cl)s1 ZINC000588577385 1029786761 /nfs/dbraw/zinc/78/67/61/1029786761.db2.gz STSXELGVAFXRON-DJWKRKHSSA-N -1 1 340.676 3.653 20 10 EHCDMM C[C@@H](N[C@H](c1nccn1C)c1ccccc1F)c1ccc(F)cc1[O-] ZINC000368220515 1031169914 /nfs/dbraw/zinc/16/99/14/1031169914.db2.gz FSEOROHWLLAINY-XIKOKIGWSA-N -1 1 343.377 3.844 20 10 EHCDMM CC[C@H](NCc1cnn(CC)n1)c1cc(Cl)cc(Cl)c1[O-] ZINC000527923020 1031411446 /nfs/dbraw/zinc/41/14/46/1031411446.db2.gz HVPDUKJCPXJAJF-ZDUSSCGKSA-N -1 1 329.231 3.551 20 10 EHCDMM C[C@@H](N[C@@H](C)c1noc(Cc2ccccc2)n1)c1ccc(F)cc1[O-] ZINC000185666726 1126975960 /nfs/dbraw/zinc/97/59/60/1126975960.db2.gz ZDUHZGVEUKPVGH-OLZOCXBDSA-N -1 1 341.386 3.917 20 10 EHCDMM C[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764766149 1127529078 /nfs/dbraw/zinc/52/90/78/1127529078.db2.gz YCYLBDCASGWSDF-ZYHUDNBSSA-N -1 1 341.249 3.533 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])c1coc2ccccc12 ZINC000765763509 1127968622 /nfs/dbraw/zinc/96/86/22/1127968622.db2.gz CFWADTUNVVXFDW-UHFFFAOYSA-N -1 1 346.180 3.831 20 10 EHCDMM C[C@@H]1CCC[C@@H](CC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765764431 1127990759 /nfs/dbraw/zinc/99/07/59/1127990759.db2.gz JYZGIRGMAHXOND-VXGBXAGGSA-N -1 1 340.261 3.987 20 10 EHCDMM CC[C@@H](C(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765764491 1127992179 /nfs/dbraw/zinc/99/21/79/1127992179.db2.gz LBRKMVKLZPAVRM-CQSZACIVSA-N -1 1 348.240 3.965 20 10 EHCDMM Cc1cc(C(=O)NCc2cccc(Cl)c2[O-])nc2ccccc12 ZINC001180411610 1133372302 /nfs/dbraw/zinc/37/23/02/1133372302.db2.gz ZOWOLGYXAFESJE-UHFFFAOYSA-N -1 1 326.783 3.832 20 10 EHCDMM O=S(=O)([N-]c1cc(F)c(O)cc1F)c1cc2ccccc2s1 ZINC001185462956 1134091771 /nfs/dbraw/zinc/09/17/71/1134091771.db2.gz RLWPZTLUWKSHPU-UHFFFAOYSA-N -1 1 341.360 3.686 20 10 EHCDMM Cc1ccc(C)n1-c1ccc(NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001170315197 1134746008 /nfs/dbraw/zinc/74/60/08/1134746008.db2.gz TXNZXWIOXWVKSM-UHFFFAOYSA-N -1 1 336.391 3.800 20 10 EHCDMM CC(C)c1cccc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)c1 ZINC001195158674 1135384045 /nfs/dbraw/zinc/38/40/45/1135384045.db2.gz CHMXPKGWNVSWPU-UHFFFAOYSA-N -1 1 327.352 3.595 20 10 EHCDMM CCN(C)C(=O)c1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC000809726550 1135880058 /nfs/dbraw/zinc/88/00/58/1135880058.db2.gz RBZFWVKDNLMJOZ-UHFFFAOYSA-N -1 1 336.794 3.889 20 10 EHCDMM CC[C@H](NCc1nn(CC)nc1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000818347242 1136869286 /nfs/dbraw/zinc/86/92/86/1136869286.db2.gz YPDNKPYCKSIZME-LBPRGKRZSA-N -1 1 343.258 3.860 20 10 EHCDMM CC(C)n1cc(NCc2cc(Br)cc(F)c2[O-])cn1 ZINC000715776670 1137478015 /nfs/dbraw/zinc/47/80/15/1137478015.db2.gz BUVHVJMPYYKYTI-UHFFFAOYSA-N -1 1 328.185 3.683 20 10 EHCDMM [O-]c1c(F)cc(Cl)cc1CN1Cc2cccnc2N2CCC[C@@H]2C1 ZINC000877714503 1137686685 /nfs/dbraw/zinc/68/66/85/1137686685.db2.gz YPZRVOXOTHCFND-OAHLLOKOSA-N -1 1 347.821 3.564 20 10 EHCDMM [O-]c1c(F)cc(Br)cc1CNc1ccnn1CC1CC1 ZINC000883047074 1137842741 /nfs/dbraw/zinc/84/27/41/1137842741.db2.gz HKEIMAMHZYKHSG-UHFFFAOYSA-N -1 1 340.196 3.512 20 10 EHCDMM C[C@@H](NC(=O)[O-])c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000825402479 604413368 /nfs/dbraw/zinc/41/33/68/604413368.db2.gz MIJQKVOVIURHEW-LLVKDONJSA-N -1 1 334.803 3.664 20 10 EHCDMM CC(C)OCc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890758246 1016373582 /nfs/dbraw/zinc/37/35/82/1016373582.db2.gz SYPHSPNQJXQRCZ-UHFFFAOYSA-N -1 1 333.815 3.901 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])C1(Cc2ccc(F)cc2)CC1 ZINC000890759240 1016382848 /nfs/dbraw/zinc/38/28/48/1016382848.db2.gz IBOIADVOVZVOIG-UHFFFAOYSA-N -1 1 333.790 3.824 20 10 EHCDMM CC(C)(C)OC(=O)CCCCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760831 1016387012 /nfs/dbraw/zinc/38/70/12/1016387012.db2.gz AIXJJFJWDFJWTO-UHFFFAOYSA-N -1 1 341.835 3.564 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(C2CCOCC2)cc1 ZINC000890763134 1016414573 /nfs/dbraw/zinc/41/45/73/1016414573.db2.gz OJLYXEHFZQYAGI-UHFFFAOYSA-N -1 1 345.826 3.870 20 10 EHCDMM CCO[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708147348 1028204358 /nfs/dbraw/zinc/20/43/58/1028204358.db2.gz YWQLOAUURGMGTJ-GFCCVEGCSA-N -1 1 348.668 3.809 20 10 EHCDMM C[C@H]1CCCC[C@@H]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765754777 1127798901 /nfs/dbraw/zinc/79/89/01/1127798901.db2.gz WOZJLTZYDVJFHH-NWDGAFQWSA-N -1 1 340.261 3.987 20 10 EHCDMM CCC[C@H](C)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC001687460346 1128230923 /nfs/dbraw/zinc/23/09/23/1128230923.db2.gz AUUSQTYJIQYAJK-NSHDSACASA-N -1 1 343.265 3.780 20 10 EHCDMM COc1cccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c1 ZINC001173828494 1132161435 /nfs/dbraw/zinc/16/14/35/1132161435.db2.gz KRCUPCZKLZJZLR-UHFFFAOYSA-N -1 1 345.354 3.920 20 10 EHCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cc(F)ccc3O)c([O-])cc21 ZINC001174628713 1132419630 /nfs/dbraw/zinc/41/96/30/1132419630.db2.gz OCEZESGSEBEUTM-UHFFFAOYSA-N -1 1 349.317 3.756 20 10 EHCDMM COc1cc2c(cc1N[C@H](C)c1cc(F)cc(F)c1[O-])NC(=O)CC2 ZINC000768264591 1133119436 /nfs/dbraw/zinc/11/94/36/1133119436.db2.gz LHDKFLAFERCYEX-SECBINFHSA-N -1 1 348.349 3.737 20 10 EHCDMM Cc1ccc(C(=O)N(C)C)cc1NCc1cc(Cl)cc(F)c1[O-] ZINC001178090706 1133135355 /nfs/dbraw/zinc/13/53/55/1133135355.db2.gz XNMIDUWHWLIHEM-UHFFFAOYSA-N -1 1 336.794 3.807 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(OC2CCC2)cc1 ZINC001180411359 1133372681 /nfs/dbraw/zinc/37/26/81/1133372681.db2.gz XCNVAJVKXUDTKE-UHFFFAOYSA-N -1 1 331.799 3.907 20 10 EHCDMM Cc1ccc(NC2CC2)c(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001180420826 1133373125 /nfs/dbraw/zinc/37/31/25/1133373125.db2.gz QAAWOXZGYVSTTP-UHFFFAOYSA-N -1 1 330.815 3.858 20 10 EHCDMM COC(=O)CCc1cccc(NCc2cc(Cl)cc(F)c2[O-])c1 ZINC000786577058 1133869196 /nfs/dbraw/zinc/86/91/96/1133869196.db2.gz KCSAVBKOBLDKNH-UHFFFAOYSA-N -1 1 337.778 3.902 20 10 EHCDMM O=C1[N-]C(=S)S/C1=C/c1cnc(-c2ccc(Cl)cc2)s1 ZINC000789128334 1134228149 /nfs/dbraw/zinc/22/81/49/1134228149.db2.gz SABBHIVXWDJZEA-BJMVGYQFSA-N -1 1 338.866 3.952 20 10 EHCDMM [O-]c1ccc(Cl)c(F)c1CNc1cncc(Br)c1 ZINC000790241514 1134384616 /nfs/dbraw/zinc/38/46/16/1134384616.db2.gz WXNZXZRRKFZFEL-UHFFFAOYSA-N -1 1 331.572 3.954 20 10 EHCDMM Cc1cc(OC(F)F)ccc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193232435 1135116727 /nfs/dbraw/zinc/11/67/27/1135116727.db2.gz JFQLFQVAYWUYJB-UHFFFAOYSA-N -1 1 343.713 3.913 20 10 EHCDMM CCC1(NC(=O)c2ccc(O)c([O-])c2Cl)CCC(F)(F)CC1 ZINC001193246790 1135118327 /nfs/dbraw/zinc/11/83/27/1135118327.db2.gz BQGDJSRGVUALNU-UHFFFAOYSA-N -1 1 333.762 3.839 20 10 EHCDMM Cc1cc(Br)c([O-])c(CN[C@@H](C2CC2)C(F)(F)F)c1 ZINC000808438750 1135667190 /nfs/dbraw/zinc/66/71/90/1135667190.db2.gz MONNEYVBSGVLEE-LBPRGKRZSA-N -1 1 338.167 3.894 20 10 EHCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H]2c2cccnc2)c1[O-] ZINC000809729454 1135872699 /nfs/dbraw/zinc/87/26/99/1135872699.db2.gz SWJMPOQUSSAAIR-CQSZACIVSA-N -1 1 333.775 3.686 20 10 EHCDMM COCCN(Cc1cccnc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809740875 1135884156 /nfs/dbraw/zinc/88/41/56/1135884156.db2.gz DTWJUOJIROZSMH-UHFFFAOYSA-N -1 1 341.238 3.743 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])C1(C(F)F)CCCC1 ZINC000813539280 1136344839 /nfs/dbraw/zinc/34/48/39/1136344839.db2.gz IJRGHVADFYGTAR-UHFFFAOYSA-N -1 1 348.187 3.596 20 10 EHCDMM Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000816533992 1136730850 /nfs/dbraw/zinc/73/08/50/1136730850.db2.gz SESADYLTLZAMFE-UHFFFAOYSA-N -1 1 340.185 3.776 20 10 EHCDMM Cc1cc(Br)c([O-])c(CN2Cc3ccc(O)cc3C2)c1 ZINC000862450464 1137145380 /nfs/dbraw/zinc/14/53/80/1137145380.db2.gz ULQKYXYNLJRXBO-UHFFFAOYSA-N -1 1 334.213 3.685 20 10 EHCDMM COC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1F ZINC000864008488 1137211463 /nfs/dbraw/zinc/21/14/63/1137211463.db2.gz HSQPRVUZURRROW-UHFFFAOYSA-N -1 1 327.714 3.723 20 10 EHCDMM C[C@H](CCC[C@H](C)C(=O)[O-])[NH2+]Cc1c([O-])cccc1Br ZINC000864503388 1137230277 /nfs/dbraw/zinc/23/02/77/1137230277.db2.gz AQMHAOSTCZURHS-WDEREUQCSA-N -1 1 344.249 3.524 20 10 EHCDMM C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@@H](C(F)(F)F)O1 ZINC000877825159 1137692422 /nfs/dbraw/zinc/69/24/22/1137692422.db2.gz XSVYZXQIVJGGGZ-UFBFGSQYSA-N -1 1 341.732 3.726 20 10 EHCDMM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@@H](C(F)(F)F)O1 ZINC000877825156 1137692500 /nfs/dbraw/zinc/69/25/00/1137692500.db2.gz XSVYZXQIVJGGGZ-PELKAZGASA-N -1 1 341.732 3.726 20 10 EHCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(N2CCSCC2)cc1 ZINC000883064521 1137843213 /nfs/dbraw/zinc/84/32/13/1137843213.db2.gz GDAQZFFFZNHIGZ-UHFFFAOYSA-N -1 1 336.407 3.836 20 10 EHCDMM CC(C)CNC(=O)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883116795 1137845231 /nfs/dbraw/zinc/84/52/31/1137845231.db2.gz GESQZSPSGHIUNI-UHFFFAOYSA-N -1 1 334.366 3.668 20 10 EHCDMM CCc1ccc([C@@H](COC)N[C@@H](C)c2ccc(F)c(F)c2[O-])o1 ZINC000187734692 1140269474 /nfs/dbraw/zinc/26/94/74/1140269474.db2.gz BQDXUAWLGKTVFU-IINYFYTJSA-N -1 1 325.355 3.864 20 10 EHCDMM C[C@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1nc(C(F)(F)F)cs1 ZINC000274657461 1014466895 /nfs/dbraw/zinc/46/68/95/1014466895.db2.gz VYCPLYNETIPCQO-ZETCQYMHSA-N -1 1 347.318 3.627 20 10 EHCDMM C[C@H](C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC001592592893 978522217 /nfs/dbraw/zinc/52/22/17/978522217.db2.gz TZTYMAOIAPJLIS-CYBMUJFWSA-N -1 1 333.815 3.736 20 10 EHCDMM C[C@H](C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC001592592893 978522220 /nfs/dbraw/zinc/52/22/20/978522220.db2.gz TZTYMAOIAPJLIS-CYBMUJFWSA-N -1 1 333.815 3.736 20 10 EHCDMM C[C@H]([NH2+]Cc1ccc2ccccc2c1[O-])[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593305322 994760883 /nfs/dbraw/zinc/76/08/83/994760883.db2.gz YCJYZVRPNOUXRJ-MGPUTAFESA-N -1 1 349.430 3.967 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cccc(N2CCCC2)c1 ZINC000890760995 1016389930 /nfs/dbraw/zinc/38/99/30/1016389930.db2.gz HUEJHZDEDLCUTC-UHFFFAOYSA-N -1 1 330.815 3.576 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]12 ZINC000890763184 1016416753 /nfs/dbraw/zinc/41/67/53/1016416753.db2.gz QLNBOEXWTXQPPG-NUEKZKHPSA-N -1 1 348.229 3.901 20 10 EHCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(Br)cc1Cl ZINC000255416093 1023528001 /nfs/dbraw/zinc/52/80/01/1023528001.db2.gz FQVRGUJUVZRHBH-FPYGCLRLSA-N -1 1 334.647 3.591 20 10 EHCDMM CC[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])CC(F)(F)F ZINC000895361561 1024389886 /nfs/dbraw/zinc/38/98/86/1024389886.db2.gz GKSZMRTTYYQRGK-VIFPVBQESA-N -1 1 338.757 3.823 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H](c1ccccn1)C1CCC1 ZINC000895974775 1025030379 /nfs/dbraw/zinc/03/03/79/1025030379.db2.gz KVDSBQNZXYGDQI-INIZCTEOSA-N -1 1 345.830 3.781 20 10 EHCDMM CC(=O)c1cc(NC(=O)NCc2cccc(Cl)c2[O-])ccc1C ZINC001625927135 1025722116 /nfs/dbraw/zinc/72/21/16/1025722116.db2.gz SWNBBOQNFJXOMH-UHFFFAOYSA-N -1 1 332.787 3.878 20 10 EHCDMM CCS[C@@H](C(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000277559848 1025965328 /nfs/dbraw/zinc/96/53/28/1025965328.db2.gz PDWCSHSFPYFDIZ-CYBMUJFWSA-N -1 1 346.290 3.549 20 10 EHCDMM O=C1CCc2cc(NCc3cccc(Br)c3[O-])ccc2N1 ZINC000048796760 1026266765 /nfs/dbraw/zinc/26/67/65/1026266765.db2.gz PVOJEZQTGVAYCP-UHFFFAOYSA-N -1 1 347.212 3.652 20 10 EHCDMM Cc1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1O ZINC000156396369 1041176957 /nfs/dbraw/zinc/17/69/57/1041176957.db2.gz XXUIJLLSTUFFMY-UHFFFAOYSA-N -1 1 331.315 3.520 20 10 EHCDMM CC[C@@H](C)C[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764792908 1127534325 /nfs/dbraw/zinc/53/43/25/1127534325.db2.gz ZKZRBDKMYKJFDX-GHMZBOCLSA-N -1 1 343.265 3.779 20 10 EHCDMM O=C(CCCC(F)(F)F)NCc1cccc(Br)c1[O-] ZINC000765729516 1127745327 /nfs/dbraw/zinc/74/53/27/1127745327.db2.gz NVKUYTIYGYGFHP-UHFFFAOYSA-N -1 1 340.139 3.504 20 10 EHCDMM CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000744441615 1132100424 /nfs/dbraw/zinc/10/04/24/1132100424.db2.gz PRLTUGAXYQXHFO-GDBMZVCRSA-N -1 1 339.435 3.949 20 10 EHCDMM CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000744441615 1132100427 /nfs/dbraw/zinc/10/04/27/1132100427.db2.gz PRLTUGAXYQXHFO-GDBMZVCRSA-N -1 1 339.435 3.949 20 10 EHCDMM CCOC(=O)Oc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001180410150 1133371203 /nfs/dbraw/zinc/37/12/03/1133371203.db2.gz KQAZYMDKXZHNBN-UHFFFAOYSA-N -1 1 349.770 3.511 20 10 EHCDMM COc1ccc2c(c1)N(Cc1cc(Cl)c(F)cc1[O-])C[C@@H](C)O2 ZINC001181089326 1133449365 /nfs/dbraw/zinc/44/93/65/1133449365.db2.gz SYQYBVGYSSADFF-SNVBAGLBSA-N -1 1 337.778 3.981 20 10 EHCDMM CC(C)c1cccc2c1CCN(C(=O)c1c([O-])c(O)ccc1F)C2 ZINC001183349171 1133797450 /nfs/dbraw/zinc/79/74/50/1133797450.db2.gz FREWHAPVMIHXKT-UHFFFAOYSA-N -1 1 329.371 3.559 20 10 EHCDMM O=C(c1ccccc1)c1ccccc1[N-]S(=O)(=O)CC1CCCC1 ZINC001191522418 1134879445 /nfs/dbraw/zinc/87/94/45/1134879445.db2.gz DKBIYVCSYQUPJX-UHFFFAOYSA-N -1 1 343.448 3.850 20 10 EHCDMM O=C1CCCC(=O)N1c1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000793259671 1134891231 /nfs/dbraw/zinc/89/12/31/1134891231.db2.gz NDZALDASSNVEEO-UHFFFAOYSA-N -1 1 344.798 3.701 20 10 EHCDMM COc1cc(NCc2c([O-])ccc(Cl)c2F)cc(-n2cccn2)c1 ZINC000793270644 1134892769 /nfs/dbraw/zinc/89/27/69/1134892769.db2.gz XWSXRKAZQPIQMU-UHFFFAOYSA-N -1 1 347.777 3.991 20 10 EHCDMM COc1ccc(C(C)=O)c(NC(=O)c2ccc(O)c([O-])c2Cl)c1C ZINC001193230652 1135120871 /nfs/dbraw/zinc/12/08/71/1135120871.db2.gz ZUUDRQJKVOYKOX-UHFFFAOYSA-N -1 1 349.770 3.523 20 10 EHCDMM COc1cc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)ccc1O ZINC001193857008 1135197078 /nfs/dbraw/zinc/19/70/78/1135197078.db2.gz KENPDUTZTBOPMQ-UHFFFAOYSA-N -1 1 343.404 3.663 20 10 EHCDMM COc1ccc(C=C2SC(=S)[N-]C2=O)cc1OCCC(C)C ZINC000747612466 1135981988 /nfs/dbraw/zinc/98/19/88/1135981988.db2.gz DFTGHRPSIIBNJG-NTEUORMPSA-N -1 1 337.466 3.609 20 10 EHCDMM COc1cc(NC(C)=O)ccc1NCc1cc(Cl)cc(F)c1[O-] ZINC001201529275 1136039012 /nfs/dbraw/zinc/03/90/12/1136039012.db2.gz IJCDMALIUPFSSO-UHFFFAOYSA-N -1 1 338.766 3.764 20 10 EHCDMM O=S(=O)([N-]c1ccc(O)c(Cl)c1)c1cc(F)cc(Cl)c1 ZINC000776751256 1136631405 /nfs/dbraw/zinc/63/14/05/1136631405.db2.gz SIHNTYSXDDAYJE-UHFFFAOYSA-N -1 1 336.171 3.639 20 10 EHCDMM Cc1cc(NCc2cc(Cl)c(F)cc2[O-])ccc1C(=O)N(C)C ZINC000816592220 1136735592 /nfs/dbraw/zinc/73/55/92/1136735592.db2.gz CINQDXDMTCYIAK-UHFFFAOYSA-N -1 1 336.794 3.807 20 10 EHCDMM CCOCCOCc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000882908286 1137837503 /nfs/dbraw/zinc/83/75/03/1137837503.db2.gz LRFOFQYQWNLTPZ-UHFFFAOYSA-N -1 1 337.366 3.836 20 10 EHCDMM Cc1ccc(C(=O)NCC2CC2)cc1NCc1cc(F)cc(F)c1[O-] ZINC000883098958 1137844567 /nfs/dbraw/zinc/84/45/67/1137844567.db2.gz FAYIYAHWRAVCAI-UHFFFAOYSA-N -1 1 346.377 3.731 20 10 EHCDMM CC[C@@](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])(C(=O)[O-])c1ccccc1 ZINC001595167098 979718874 /nfs/dbraw/zinc/71/88/74/979718874.db2.gz GZOYVKUOZVTLCV-IBGZPJMESA-N -1 1 347.842 3.876 20 10 EHCDMM C[C@@H]1CCC[C@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001594346012 999310905 /nfs/dbraw/zinc/31/09/05/999310905.db2.gz KQAADAMZSOMEGY-OLZOCXBDSA-N -1 1 325.836 3.759 20 10 EHCDMM C[C@@H]1CCC[C@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001594346012 999310908 /nfs/dbraw/zinc/31/09/08/999310908.db2.gz KQAADAMZSOMEGY-OLZOCXBDSA-N -1 1 325.836 3.759 20 10 EHCDMM CC(=O)c1cc(Cl)cc(CN2CCOc3ccccc3C2)c1[O-] ZINC000320522843 1024416461 /nfs/dbraw/zinc/41/64/61/1024416461.db2.gz HBXIVTVFYIIEKC-UHFFFAOYSA-N -1 1 331.799 3.643 20 10 EHCDMM CCOC(=O)CN(Cc1cc(F)c(F)cc1[O-])[C@H](C)c1ccccc1 ZINC001142530386 1033330438 /nfs/dbraw/zinc/33/04/38/1033330438.db2.gz GVBIKCAIHTZFAA-CYBMUJFWSA-N -1 1 349.377 3.797 20 10 EHCDMM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc([O-])cc1F ZINC000181066948 1038331252 /nfs/dbraw/zinc/33/12/52/1038331252.db2.gz KAAOKKCJXPKEBC-UHFFFAOYSA-N -1 1 342.414 3.794 20 10 EHCDMM C[C@H]1CCC[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764766136 1127529359 /nfs/dbraw/zinc/52/93/59/1127529359.db2.gz YCYLBDCASGWSDF-CMPLNLGQSA-N -1 1 341.249 3.533 20 10 EHCDMM CC[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764798375 1127534845 /nfs/dbraw/zinc/53/48/45/1127534845.db2.gz QENKHXCANNGPNE-ZWNOBZJWSA-N -1 1 341.249 3.533 20 10 EHCDMM CC(C)C(C)(C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764804964 1127535735 /nfs/dbraw/zinc/53/57/35/1127535735.db2.gz KJOCDHZOPIISNV-UHFFFAOYSA-N -1 1 343.265 3.636 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCC(F)(F)C1 ZINC000282262943 1128139614 /nfs/dbraw/zinc/13/96/14/1128139614.db2.gz PEYQDCMFLMKZGJ-VIFPVBQESA-N -1 1 348.187 3.596 20 10 EHCDMM C[C@@H]1CCC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765769473 1128154025 /nfs/dbraw/zinc/15/40/25/1128154025.db2.gz MIULQFGLDHKLOE-GHMZBOCLSA-N -1 1 326.234 3.597 20 10 EHCDMM [O-]c1c(F)cc(Br)cc1CN1CC[C@H](C(F)(F)F)C1 ZINC000715737561 1128980384 /nfs/dbraw/zinc/98/03/84/1128980384.db2.gz LAJJQSHUGVSALP-QMMMGPOBSA-N -1 1 342.130 3.678 20 10 EHCDMM O=C(c1ccc([O-])c(F)c1)N(Cc1ccco1)Cc1ccccc1O ZINC000768253103 1133117198 /nfs/dbraw/zinc/11/71/98/1133117198.db2.gz GKVPFNQJZWIGEA-UHFFFAOYSA-N -1 1 341.338 3.673 20 10 EHCDMM COc1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc(Cl)c1[O-] ZINC000785634174 1133734804 /nfs/dbraw/zinc/73/48/04/1133734804.db2.gz IPQRQLYKDQWJOJ-NSHDSACASA-N -1 1 348.830 3.611 20 10 EHCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001203581865 1133888627 /nfs/dbraw/zinc/88/86/27/1133888627.db2.gz BDKSIMKTRZKYNS-ZDUSSCGKSA-N -1 1 338.181 3.699 20 10 EHCDMM C[C@@H](Nc1ccc2ccn(C)c(=O)c2c1)c1cc(F)cc(F)c1[O-] ZINC000793566908 1134958580 /nfs/dbraw/zinc/95/85/80/1134958580.db2.gz VQKYFMGUSNVFQP-SNVBAGLBSA-N -1 1 330.334 3.695 20 10 EHCDMM CC[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1cccc(Cl)c1[O-] ZINC000806151723 1135402340 /nfs/dbraw/zinc/40/23/40/1135402340.db2.gz JXSCMEMXNMPMON-ZDUSSCGKSA-N -1 1 332.787 3.940 20 10 EHCDMM Cc1ccc(C(=O)NC2CC2)cc1NCc1cccc(Cl)c1[O-] ZINC000775753311 1135630675 /nfs/dbraw/zinc/63/06/75/1135630675.db2.gz IPVZJGUICVCOCI-UHFFFAOYSA-N -1 1 330.815 3.858 20 10 EHCDMM COC(=O)N(C)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC001199743204 1135925578 /nfs/dbraw/zinc/92/55/78/1135925578.db2.gz SCVABGRQKDSZDH-UHFFFAOYSA-N -1 1 338.766 3.999 20 10 EHCDMM C[C@H](CCC[C@H](C)[NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864503386 1137230422 /nfs/dbraw/zinc/23/04/22/1137230422.db2.gz AQMHAOSTCZURHS-MNOVXSKESA-N -1 1 344.249 3.524 20 10 EHCDMM CCC[C@@H](C)C[C@@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864510371 1137231080 /nfs/dbraw/zinc/23/10/80/1137231080.db2.gz VNSRSEAJGRPMHT-ZWNOBZJWSA-N -1 1 344.249 3.524 20 10 EHCDMM CCN(CC(=O)Nc1c(C)cccc1C)Cc1ccc(F)c(F)c1[O-] ZINC000876769150 1137660834 /nfs/dbraw/zinc/66/08/34/1137660834.db2.gz PTCPEADJEPIPHJ-UHFFFAOYSA-N -1 1 348.393 3.748 20 10 EHCDMM C[C@H]1CN(c2ccc(NCc3cc(F)cc(F)c3[O-])cc2)C[C@H](C)O1 ZINC000883059108 1137843061 /nfs/dbraw/zinc/84/30/61/1137843061.db2.gz MAMXTWRMTHOJNL-STQMWFEESA-N -1 1 348.393 3.896 20 10 EHCDMM C[C@@H](N[C@@H](C)c1noc(Cc2ccccc2)n1)c1c([O-])cccc1F ZINC000886536256 1138092678 /nfs/dbraw/zinc/09/26/78/1138092678.db2.gz DTHXINDEVVXOHP-OLZOCXBDSA-N -1 1 341.386 3.917 20 10 EHCDMM C[C@@H](Cc1ccsc1)[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001592906376 979844358 /nfs/dbraw/zinc/84/43/58/979844358.db2.gz MEWLDZVBSIZZOL-NSHDSACASA-N -1 1 339.844 3.625 20 10 EHCDMM C[C@@H](Cc1ccsc1)[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001592906376 979844367 /nfs/dbraw/zinc/84/43/67/979844367.db2.gz MEWLDZVBSIZZOL-NSHDSACASA-N -1 1 339.844 3.625 20 10 EHCDMM CC[C@@](C)(C(=O)[O-])[N@@H+](Cc1cc(Cl)c(C)cc1[O-])CC1CC1 ZINC001594788183 981833765 /nfs/dbraw/zinc/83/37/65/981833765.db2.gz UFKAHNVMGPBHHX-KRWDZBQOSA-N -1 1 325.836 3.819 20 10 EHCDMM CC[C@@](C)(C(=O)[O-])[N@H+](Cc1cc(Cl)c(C)cc1[O-])CC1CC1 ZINC001594788183 981833774 /nfs/dbraw/zinc/83/37/74/981833774.db2.gz UFKAHNVMGPBHHX-KRWDZBQOSA-N -1 1 325.836 3.819 20 10 EHCDMM CC1=CCC[C@H](C)[C@@H]1C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001594113640 998227757 /nfs/dbraw/zinc/22/77/57/998227757.db2.gz OQHYMBKQOBYSFS-XJKSGUPXSA-N -1 1 337.847 3.925 20 10 EHCDMM CC1=CCC[C@H](C)[C@@H]1C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001594113640 998227766 /nfs/dbraw/zinc/22/77/66/998227766.db2.gz OQHYMBKQOBYSFS-XJKSGUPXSA-N -1 1 337.847 3.925 20 10 EHCDMM CCO[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC000894473212 1022341710 /nfs/dbraw/zinc/34/17/10/1022341710.db2.gz NYAXXAXKHLADLZ-INIZCTEOSA-N -1 1 348.830 3.623 20 10 EHCDMM Cc1nc(-c2ccc(NCc3ccc(N(C)C)cc3)nc2)[n-]c(=O)c1C ZINC000301180286 1026713090 /nfs/dbraw/zinc/71/30/90/1026713090.db2.gz OMDSHUFSZKLBME-UHFFFAOYSA-N -1 1 349.438 3.539 20 10 EHCDMM N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1ccc([O-])c(F)c1F ZINC001211999904 1028477303 /nfs/dbraw/zinc/47/73/03/1028477303.db2.gz BKMOPGBPICYRJY-NNDYQBKXSA-N -1 1 341.321 3.938 20 10 EHCDMM Cn1cccc1[C@H]1CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000179705837 1034578777 /nfs/dbraw/zinc/57/87/77/1034578777.db2.gz HIKNBSFUDHDJGT-CQSZACIVSA-N -1 1 335.791 3.629 20 10 EHCDMM O=C(NCC[C@@H]1CCC(F)(F)C1)NCc1cccc(Cl)c1[O-] ZINC000898487639 1039151588 /nfs/dbraw/zinc/15/15/88/1039151588.db2.gz NQXKMOSSLRWDRP-JTQLQIEISA-N -1 1 332.778 3.670 20 10 EHCDMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])C1CCCC1 ZINC000765766824 1128080317 /nfs/dbraw/zinc/08/03/17/1128080317.db2.gz CDXOMNUZYYDNBR-SNVBAGLBSA-N -1 1 326.234 3.597 20 10 EHCDMM O=C(N[C@H]1C[C@H](c2ccccc2Cl)C1)c1c(F)ccc(O)c1[O-] ZINC001648810595 1120045636 /nfs/dbraw/zinc/04/56/36/1120045636.db2.gz JERCWZLBCPJVCG-MGCOHNPYSA-N -1 1 335.762 3.566 20 10 EHCDMM O=C1c2ccccc2N[C@H](c2cc(Cl)cc(F)c2[O-])N1C1CC1 ZINC000768265254 1133119115 /nfs/dbraw/zinc/11/91/15/1133119115.db2.gz ANSFDMZUFVJVRW-INIZCTEOSA-N -1 1 332.762 3.914 20 10 EHCDMM C[S@](=N)(=O)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC001179640796 1133269756 /nfs/dbraw/zinc/26/97/56/1133269756.db2.gz CIVYAWIECQXJFN-NRFANRHFSA-N -1 1 328.796 3.832 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cccc(OC(F)F)c1 ZINC001180399162 1133365566 /nfs/dbraw/zinc/36/55/66/1133365566.db2.gz APNCDEJNWXZLOQ-UHFFFAOYSA-N -1 1 327.714 3.577 20 10 EHCDMM CSc1cc(C(=O)NCc2cccc(Cl)c2[O-])ccc1F ZINC001180409568 1133371705 /nfs/dbraw/zinc/37/17/05/1133371705.db2.gz CFZKMKYSXNYEIO-UHFFFAOYSA-N -1 1 325.792 3.837 20 10 EHCDMM COc1ccc2c(c1)N(Cc1cc(Cl)c(F)cc1[O-])C[C@H](C)O2 ZINC001181089325 1133449590 /nfs/dbraw/zinc/44/95/90/1133449590.db2.gz SYQYBVGYSSADFF-JTQLQIEISA-N -1 1 337.778 3.981 20 10 EHCDMM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1c([O-])c(O)ccc1F ZINC000789939906 1134349172 /nfs/dbraw/zinc/34/91/72/1134349172.db2.gz QWRBODFJZYWVGZ-UHFFFAOYSA-N -1 1 343.276 3.528 20 10 EHCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(CCc2ccccc2)CC1 ZINC000789951350 1134350996 /nfs/dbraw/zinc/35/09/96/1134350996.db2.gz ZKHBGMZGKTVHGW-UHFFFAOYSA-N -1 1 343.398 3.722 20 10 EHCDMM CCCCc1ccc(S(=O)(=O)Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001191249072 1134836898 /nfs/dbraw/zinc/83/68/98/1134836898.db2.gz NDCNGXMECUVWGV-UHFFFAOYSA-N -1 1 341.379 3.814 20 10 EHCDMM Cc1[nH]c2ccc(CNC(=O)c3ccc(O)c([O-])c3Cl)cc2c1C ZINC001193236567 1135117206 /nfs/dbraw/zinc/11/72/06/1135117206.db2.gz HZWSUKNNGRFEMA-UHFFFAOYSA-N -1 1 344.798 3.779 20 10 EHCDMM CCN(C)C(=O)c1cccc(N[C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000806169398 1135397522 /nfs/dbraw/zinc/39/75/22/1135397522.db2.gz FJMNLJBPVSPJPK-NSHDSACASA-N -1 1 334.366 3.935 20 10 EHCDMM O=C1c2ccccc2C(=O)c2cc(NC3=CCSCC3)c([O-])cc21 ZINC001201342574 1136009960 /nfs/dbraw/zinc/00/99/60/1136009960.db2.gz PGTYSHGHNXPYSC-UHFFFAOYSA-N -1 1 337.400 3.600 20 10 EHCDMM C[C@H]1CN(Cc2cc(Cl)c(F)cc2[O-])c2ccccc2N(C)C1=O ZINC000816613437 1136741814 /nfs/dbraw/zinc/74/18/14/1136741814.db2.gz UNCGSJRUMFWYFT-NSHDSACASA-N -1 1 348.805 3.804 20 10 EHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[NH+]2CCC(F)(F)CC2)c1[O-] ZINC000794688001 1137227716 /nfs/dbraw/zinc/22/77/16/1137227716.db2.gz LLRARAKMFJAODL-UHFFFAOYSA-N -1 1 347.361 3.560 20 10 EHCDMM C[C@@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000867504046 1137380003 /nfs/dbraw/zinc/38/00/03/1137380003.db2.gz RMUZJPMSOOQEPO-GFCCVEGCSA-N -1 1 332.831 3.532 20 10 EHCDMM CC(=O)N1CCCc2cc(NCc3cc(F)cc(F)c3[O-])ccc21 ZINC000883061505 1137843238 /nfs/dbraw/zinc/84/32/38/1137843238.db2.gz WNPVMYUDRORDHO-UHFFFAOYSA-N -1 1 332.350 3.582 20 10 EHCDMM O=C(c1ccc(NCc2cc(F)cc(F)c2[O-])cc1)N1CCCC1 ZINC000883109432 1137844956 /nfs/dbraw/zinc/84/49/56/1137844956.db2.gz QSNFMAWLELETMB-UHFFFAOYSA-N -1 1 332.350 3.519 20 10 EHCDMM CC(C)(C)OC(=O)[C@H](NCc1cccc(F)c1[O-])c1ccccc1 ZINC000273894380 1141441307 /nfs/dbraw/zinc/44/13/07/1141441307.db2.gz UNCFWOFFVIQBOD-MRXNPFEDSA-N -1 1 331.387 3.704 20 10 EHCDMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000391990461 604862992 /nfs/dbraw/zinc/86/29/92/604862992.db2.gz IVWHECVUHDIUJN-OAHLLOKOSA-N -1 1 327.424 3.868 20 10 EHCDMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000391990461 604862996 /nfs/dbraw/zinc/86/29/96/604862996.db2.gz IVWHECVUHDIUJN-OAHLLOKOSA-N -1 1 327.424 3.868 20 10 EHCDMM CC(C)(C)c1cnc(SCc2ccc(-c3nn[n-]n3)s2)s1 ZINC001573883993 950779460 /nfs/dbraw/zinc/77/94/60/950779460.db2.gz AWKAEUFVQIKYDV-UHFFFAOYSA-N -1 1 337.499 3.975 20 10 EHCDMM CC1=CCC[C@@H](C)[C@@H]1C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001594113639 998227370 /nfs/dbraw/zinc/22/73/70/998227370.db2.gz OQHYMBKQOBYSFS-CZUORRHYSA-N -1 1 337.847 3.925 20 10 EHCDMM CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001594113639 998227383 /nfs/dbraw/zinc/22/73/83/998227383.db2.gz OQHYMBKQOBYSFS-CZUORRHYSA-N -1 1 337.847 3.925 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])C1(c2cccnc2)CCCC1 ZINC000890759195 1016382804 /nfs/dbraw/zinc/38/28/04/1016382804.db2.gz GHOQSKUUFIJISM-UHFFFAOYSA-N -1 1 330.815 3.569 20 10 EHCDMM CC[C@@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccc(OC)cc1 ZINC000890760258 1016391905 /nfs/dbraw/zinc/39/19/05/1016391905.db2.gz MBMYSHNFYJDGPI-OAHLLOKOSA-N -1 1 333.815 3.864 20 10 EHCDMM CC[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1nc(C)cs1 ZINC000892841968 1017564695 /nfs/dbraw/zinc/56/46/95/1017564695.db2.gz ZOFYOUHBOWZJMN-GFCCVEGCSA-N -1 1 339.848 3.761 20 10 EHCDMM Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000276541008 1021685007 /nfs/dbraw/zinc/68/50/07/1021685007.db2.gz GGRWRRVYSAVCTE-QWHCGFSZSA-N -1 1 329.371 3.564 20 10 EHCDMM C[C@@](NC(=O)NCc1cccc(Cl)c1[O-])(C1CC1)C(F)(F)F ZINC000933557690 1022104950 /nfs/dbraw/zinc/10/49/50/1022104950.db2.gz GVWFSNZSNQJXSV-CYBMUJFWSA-N -1 1 336.741 3.576 20 10 EHCDMM COc1cc(C[N@H+](Cc2cc(F)cc(F)c2O)C2CC2)ccc1O ZINC000894491561 1022400959 /nfs/dbraw/zinc/40/09/59/1022400959.db2.gz PBKUKOIWGZIWHM-UHFFFAOYSA-N -1 1 335.350 3.549 20 10 EHCDMM CC(C)(C)c1ccncc1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000895351093 1024363682 /nfs/dbraw/zinc/36/36/82/1024363682.db2.gz DAXOLDHEOBXVBY-UHFFFAOYSA-N -1 1 347.846 3.738 20 10 EHCDMM COC(=O)[C@@H]1C[C@H]1c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000895445564 1024509583 /nfs/dbraw/zinc/50/95/83/1024509583.db2.gz UQMAWRPHHOLARN-LSDHHAIUSA-N -1 1 333.334 3.559 20 10 EHCDMM C[C@@H](N[C@H](C)c1ccc(F)cc1[O-])c1noc(Cc2ccccc2)n1 ZINC000185666768 1126976028 /nfs/dbraw/zinc/97/60/28/1126976028.db2.gz ZDUHZGVEUKPVGH-CHWSQXEVSA-N -1 1 341.386 3.917 20 10 EHCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])C1CCCC1 ZINC000764780353 1127533862 /nfs/dbraw/zinc/53/38/62/1127533862.db2.gz OJEVEIFWIQQUBX-JTQLQIEISA-N -1 1 341.249 3.533 20 10 EHCDMM CC(C)c1nsc(NCc2cccc(Br)c2[O-])n1 ZINC000764935489 1127555900 /nfs/dbraw/zinc/55/59/00/1127555900.db2.gz VFYDTAZQPRTPOZ-UHFFFAOYSA-N -1 1 328.235 3.742 20 10 EHCDMM CCc1ccccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765746733 1127764806 /nfs/dbraw/zinc/76/48/06/1127764806.db2.gz IJKURFLQOIHEHQ-UHFFFAOYSA-N -1 1 334.213 3.647 20 10 EHCDMM CCC1(C(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000765764557 1127993369 /nfs/dbraw/zinc/99/33/69/1127993369.db2.gz MHYCXYUEFHWUCP-UHFFFAOYSA-N -1 1 326.234 3.741 20 10 EHCDMM CCCc1occc1C(=O)NCc1cccc(Br)c1[O-] ZINC000282273862 1128429298 /nfs/dbraw/zinc/42/92/98/1128429298.db2.gz JSTLESOGPFULQX-UHFFFAOYSA-N -1 1 338.201 3.630 20 10 EHCDMM CC[C@H](C)C[N@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000732182666 1130894243 /nfs/dbraw/zinc/89/42/43/1130894243.db2.gz HJRLNHKVVSNICF-AWEZNQCLSA-N -1 1 327.424 3.807 20 10 EHCDMM CC[C@H](C)C[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000732182666 1130894251 /nfs/dbraw/zinc/89/42/51/1130894251.db2.gz HJRLNHKVVSNICF-AWEZNQCLSA-N -1 1 327.424 3.807 20 10 EHCDMM CC1(C)CCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000732979480 1130977677 /nfs/dbraw/zinc/97/76/77/1130977677.db2.gz DGSZRFQZQBLVJH-UHFFFAOYSA-N -1 1 339.435 3.951 20 10 EHCDMM CCCC[N@@H+](Cc1nc(=O)c2sccc2[n-]1)Cc1ccccc1O ZINC000282560776 1131094181 /nfs/dbraw/zinc/09/41/81/1131094181.db2.gz YKZDVUQNWPMFON-UHFFFAOYSA-N -1 1 343.452 3.905 20 10 EHCDMM COc1cc(NC(C)=O)ccc1NCc1c([O-])ccc(Cl)c1F ZINC001178228601 1133148896 /nfs/dbraw/zinc/14/88/96/1133148896.db2.gz OITYBITZDKEWQD-UHFFFAOYSA-N -1 1 338.766 3.764 20 10 EHCDMM O=C(CCOc1ccc(Cl)cc1)NCc1cccc(Cl)c1[O-] ZINC001180409547 1133371735 /nfs/dbraw/zinc/37/17/35/1133371735.db2.gz AZWDGUPRFPORNT-UHFFFAOYSA-N -1 1 340.206 3.784 20 10 EHCDMM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)c1c(F)cccc1Cl ZINC001182902972 1133747362 /nfs/dbraw/zinc/74/73/62/1133747362.db2.gz QRSWQVILKZJCGG-ZETCQYMHSA-N -1 1 327.714 3.520 20 10 EHCDMM COc1ccccc1-c1nnc(NCc2c([O-])ccc(Cl)c2F)o1 ZINC000787794849 1134041895 /nfs/dbraw/zinc/04/18/95/1134041895.db2.gz KCFNWIKROZPZHA-UHFFFAOYSA-N -1 1 349.749 3.855 20 10 EHCDMM COc1c([O-])c(C[N@@H+]2CC(C)(C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774853650 1134067741 /nfs/dbraw/zinc/06/77/41/1134067741.db2.gz PSWLKVACIDGUCA-SFHVURJKSA-N -1 1 342.395 3.892 20 10 EHCDMM COC(=O)c1ccc([O-])c([C@H](C)NCC(F)(F)c2ccccc2)c1 ZINC000788980882 1134206227 /nfs/dbraw/zinc/20/62/27/1134206227.db2.gz OOSQRZFZUPJDTI-LBPRGKRZSA-N -1 1 335.350 3.621 20 10 EHCDMM CCN(Cc1cccc(F)c1F)C(=O)c1ccc(O)c([O-])c1Cl ZINC001193232128 1135116327 /nfs/dbraw/zinc/11/63/27/1135116327.db2.gz FDCZRGDWVPRMTG-UHFFFAOYSA-N -1 1 341.741 3.692 20 10 EHCDMM O=C(NCc1cccc(C(F)F)c1)c1ccc(O)c([O-])c1Cl ZINC001193236795 1135117457 /nfs/dbraw/zinc/11/74/57/1135117457.db2.gz RJGBIGCGDJWNQP-UHFFFAOYSA-N -1 1 327.714 3.619 20 10 EHCDMM COC(=O)NCc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816523654 1136733630 /nfs/dbraw/zinc/73/36/30/1136733630.db2.gz YSTZHQPAYPTEBQ-UHFFFAOYSA-N -1 1 338.766 3.653 20 10 EHCDMM COC(C)(C)c1nsc(NCc2c([O-])ccc(Cl)c2F)n1 ZINC000865295233 1137275248 /nfs/dbraw/zinc/27/52/48/1137275248.db2.gz CYFYIHXCWBANDL-UHFFFAOYSA-N -1 1 331.800 3.530 20 10 EHCDMM CC1(C)CCc2onc(CNCc3cc(Cl)cc(F)c3[O-])c2C1 ZINC000877810217 1137690726 /nfs/dbraw/zinc/69/07/26/1137690726.db2.gz RCGSIPADIRAPRT-UHFFFAOYSA-N -1 1 338.810 3.977 20 10 EHCDMM CC[C@@](C)(NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1nccs1 ZINC000152655515 1139102376 /nfs/dbraw/zinc/10/23/76/1139102376.db2.gz IHRRLFKWGVRYLU-CQSZACIVSA-N -1 1 341.820 3.825 20 10 EHCDMM C[C@H](C[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C1CC1)C(=O)[O-] ZINC000736585012 599933523 /nfs/dbraw/zinc/93/35/23/599933523.db2.gz RCVLQFZDABPKLE-GFCCVEGCSA-N -1 1 343.423 3.702 20 10 EHCDMM C[C@H](C[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C1CC1)C(=O)[O-] ZINC000736585012 599933525 /nfs/dbraw/zinc/93/35/25/599933525.db2.gz RCVLQFZDABPKLE-GFCCVEGCSA-N -1 1 343.423 3.702 20 10 EHCDMM CC[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])CC(C)C ZINC000728194923 1014937839 /nfs/dbraw/zinc/93/78/39/1014937839.db2.gz GNDPYRCNHZHUJB-UHFFFAOYSA-N -1 1 327.424 3.807 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])C12CC(c3ccccc3)(C1)C2 ZINC000890759153 1016383092 /nfs/dbraw/zinc/38/30/92/1016383092.db2.gz FBRIFDPPAATREP-UHFFFAOYSA-N -1 1 327.811 3.784 20 10 EHCDMM C[C@]1(CCNC(=O)NCc2cccc(Cl)c2[O-])C[C@]1(F)Cl ZINC000895547472 1024590864 /nfs/dbraw/zinc/59/08/64/1024590864.db2.gz ABBALBGIPHFUJS-UONOGXRCSA-N -1 1 335.206 3.550 20 10 EHCDMM CCNC(=O)c1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000048795936 1026267826 /nfs/dbraw/zinc/26/78/26/1026267826.db2.gz HZZSVQINSVOBQM-UHFFFAOYSA-N -1 1 349.228 3.517 20 10 EHCDMM CC[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1c(C)noc1C ZINC000893859362 1039758757 /nfs/dbraw/zinc/75/87/57/1039758757.db2.gz NCHNKDCOZOHEIZ-CYBMUJFWSA-N -1 1 337.807 3.601 20 10 EHCDMM O=C([O-])[C@@H](Cc1cc2ccccc2o1)[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001601656485 1126222844 /nfs/dbraw/zinc/22/28/44/1126222844.db2.gz BHYFAZLLXGGPTK-OAHLLOKOSA-N -1 1 345.782 3.577 20 10 EHCDMM Cc1ccc(C)c(CC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765736035 1127758080 /nfs/dbraw/zinc/75/80/80/1127758080.db2.gz JWXZEZXTNQBGCX-UHFFFAOYSA-N -1 1 348.240 3.630 20 10 EHCDMM C[C@@H](NCc1ncnn1C(C)(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000282417874 1129767141 /nfs/dbraw/zinc/76/71/41/1129767141.db2.gz CONXPQKAKCIIKQ-SECBINFHSA-N -1 1 343.258 3.896 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cccnc1SC(F)F ZINC001180410468 1133371489 /nfs/dbraw/zinc/37/14/89/1133371489.db2.gz QJLQODFQLMAFSP-UHFFFAOYSA-N -1 1 344.770 3.685 20 10 EHCDMM C[C@@H](Nc1ccc2ccc(=O)n(C)c2c1)c1cc(F)cc(F)c1[O-] ZINC000786942081 1133932311 /nfs/dbraw/zinc/93/23/11/1133932311.db2.gz TUYMKBZERBOMTI-SNVBAGLBSA-N -1 1 330.334 3.695 20 10 EHCDMM Cc1ccc(N2CCNC2=O)cc1NCc1cc(Cl)cc(F)c1[O-] ZINC000787308853 1133994439 /nfs/dbraw/zinc/99/44/39/1133994439.db2.gz FDKBDLZYWWRJGK-UHFFFAOYSA-N -1 1 349.793 3.635 20 10 EHCDMM CC1(C)CCCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000790065682 1134367778 /nfs/dbraw/zinc/36/77/78/1134367778.db2.gz OTRPEUULQSUZFN-GFCCVEGCSA-N -1 1 340.261 3.987 20 10 EHCDMM COCCOCc1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000790952450 1134484650 /nfs/dbraw/zinc/48/46/50/1134484650.db2.gz GCGPRLMNSIYTEL-UHFFFAOYSA-N -1 1 339.794 3.960 20 10 EHCDMM Cc1cc(NC(=O)c2ccc(O)c([O-])c2Cl)cc2scnc21 ZINC001193230591 1135120244 /nfs/dbraw/zinc/12/02/44/1135120244.db2.gz WWTOVNWATMXIDV-UHFFFAOYSA-N -1 1 334.784 3.922 20 10 EHCDMM CCc1ccccc1NC(=O)CN(C)Cc1cccc(Cl)c1[O-] ZINC000775643525 1135385511 /nfs/dbraw/zinc/38/55/11/1135385511.db2.gz QFEDEDOSYOUENA-UHFFFAOYSA-N -1 1 332.831 3.679 20 10 EHCDMM [O-]c1c(F)cc(Cl)cc1CN1CC(c2nc3ccccc3[nH]2)C1 ZINC000775715203 1135558303 /nfs/dbraw/zinc/55/83/03/1135558303.db2.gz DPWIVSIXXNWARJ-UHFFFAOYSA-N -1 1 331.778 3.660 20 10 EHCDMM CN(Cc1ccc([S@](C)=O)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775725333 1135579014 /nfs/dbraw/zinc/57/90/14/1135579014.db2.gz LFGDJXPPRBGDSR-QFIPXVFZSA-N -1 1 341.835 3.554 20 10 EHCDMM CN(Cc1ccc([S@@](C)=O)cc1)Cc1cc(Cl)cc(F)c1[O-] ZINC000775725331 1135579655 /nfs/dbraw/zinc/57/96/55/1135579655.db2.gz LFGDJXPPRBGDSR-JOCHJYFZSA-N -1 1 341.835 3.554 20 10 EHCDMM [O-]c1c(Br)cccc1CNc1ccc(N2CCCC2)cn1 ZINC000776036599 1135937260 /nfs/dbraw/zinc/93/72/60/1135937260.db2.gz NXVFHBOGFQEUEM-UHFFFAOYSA-N -1 1 348.244 3.762 20 10 EHCDMM COCCn1ncc2ccc(NCc3cc(Cl)c(F)cc3[O-])cc21 ZINC000816563953 1136737826 /nfs/dbraw/zinc/73/78/26/1136737826.db2.gz PIKUTFFNYYRSFF-UHFFFAOYSA-N -1 1 349.793 3.793 20 10 EHCDMM COCc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1OC ZINC000858309360 1136957039 /nfs/dbraw/zinc/95/70/39/1136957039.db2.gz NJQBCQHAQNAUSR-UHFFFAOYSA-N -1 1 325.767 3.952 20 10 EHCDMM CCCN(CCC)c1ccc(C=Cc2ncc(OC)c(=O)[n-]2)cc1 ZINC000821009005 1137015644 /nfs/dbraw/zinc/01/56/44/1137015644.db2.gz VRTCVVMQYDYQTM-FLIBITNWSA-N -1 1 327.428 3.988 20 10 EHCDMM CC[C@H](CC(C)C)C(=O)NCc1cccc(Br)c1[O-] ZINC000830530266 1137088616 /nfs/dbraw/zinc/08/86/16/1137088616.db2.gz YBNYWEZMYNNHEB-LLVKDONJSA-N -1 1 328.250 3.843 20 10 EHCDMM C[C@H]1CN(Cc2cc(Br)c(F)cc2[O-])CCC1(F)F ZINC001144299213 1137268597 /nfs/dbraw/zinc/26/85/97/1137268597.db2.gz RPOLOMVFJKNSBX-QMMMGPOBSA-N -1 1 338.167 3.771 20 10 EHCDMM Cn1cc(C(F)F)c(CNCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000865808939 1137313459 /nfs/dbraw/zinc/31/34/59/1137313459.db2.gz HLPWQJHPBFCMGD-UHFFFAOYSA-N -1 1 336.169 3.660 20 10 EHCDMM O=C(c1ccccc1)C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876557305 1137655438 /nfs/dbraw/zinc/65/54/38/1137655438.db2.gz DKZVHAMMLRIISF-UHFFFAOYSA-N -1 1 331.362 3.765 20 10 EHCDMM C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@H](C(=O)[O-])c1ccccc1 ZINC000833694931 604645041 /nfs/dbraw/zinc/64/50/41/604645041.db2.gz VGRZFQISGUVABY-AWEZNQCLSA-N -1 1 340.206 3.957 20 10 EHCDMM Cc1cc([O-])c(C[N@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC001594326336 958175974 /nfs/dbraw/zinc/17/59/74/958175974.db2.gz BKLYZFVWDHGTAV-CQSZACIVSA-N -1 1 331.799 3.538 20 10 EHCDMM Cc1cc([O-])c(C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC001594326336 958175985 /nfs/dbraw/zinc/17/59/85/958175985.db2.gz BKLYZFVWDHGTAV-CQSZACIVSA-N -1 1 331.799 3.538 20 10 EHCDMM C[C@H](Cc1ccsc1)[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001592906373 979844558 /nfs/dbraw/zinc/84/45/58/979844558.db2.gz MEWLDZVBSIZZOL-LLVKDONJSA-N -1 1 339.844 3.625 20 10 EHCDMM C[C@H](Cc1ccsc1)[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001592906373 979844567 /nfs/dbraw/zinc/84/45/67/979844567.db2.gz MEWLDZVBSIZZOL-LLVKDONJSA-N -1 1 339.844 3.625 20 10 EHCDMM CC(C)[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000728196103 1014943114 /nfs/dbraw/zinc/94/31/14/1014943114.db2.gz PLQZSEWPYPZTDR-UHFFFAOYSA-N -1 1 325.408 3.702 20 10 EHCDMM CC(C)[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000728196103 1014943123 /nfs/dbraw/zinc/94/31/23/1014943123.db2.gz PLQZSEWPYPZTDR-UHFFFAOYSA-N -1 1 325.408 3.702 20 10 EHCDMM CN1CCCc2cc(CNC(=O)c3cc4ccccc4cc3[O-])ccc21 ZINC001625848027 1016195447 /nfs/dbraw/zinc/19/54/47/1016195447.db2.gz QSAIXMOJHUAXTH-UHFFFAOYSA-N -1 1 346.430 3.858 20 10 EHCDMM CC(C)[C@H]1C[C@@H](CC(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890759498 1016382452 /nfs/dbraw/zinc/38/24/52/1016382452.db2.gz LNZYGHOYKKXXEU-SWLSCSKDSA-N -1 1 325.836 3.503 20 10 EHCDMM O=C(C[C@@]12CCCC[C@@H]1C2(F)F)NCc1cccc(Cl)c1[O-] ZINC000890761235 1016388507 /nfs/dbraw/zinc/38/85/07/1016388507.db2.gz NRCKBEYSVNDPDJ-WFASDCNBSA-N -1 1 329.774 3.877 20 10 EHCDMM CC(C)OC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000695089146 1016937810 /nfs/dbraw/zinc/93/78/10/1016937810.db2.gz FOFCKKGPBOWBKD-UHFFFAOYSA-N -1 1 328.250 3.544 20 10 EHCDMM Cc1cccnc1[C@H](NC(=O)NCc1cccc(Cl)c1[O-])C(C)C ZINC000893031064 1018223015 /nfs/dbraw/zinc/22/30/15/1018223015.db2.gz AWVCYADMIQEBFF-OAHLLOKOSA-N -1 1 347.846 3.946 20 10 EHCDMM [O-]c1cc(F)c(F)cc1CN(Cc1cccnc1)Cc1ccccn1 ZINC001142520131 1033188825 /nfs/dbraw/zinc/18/88/25/1033188825.db2.gz BZBUWFZZTAOXQM-UHFFFAOYSA-N -1 1 341.361 3.663 20 10 EHCDMM CC1(C)C[C@H](NC(=O)NCc2cccc(Cl)c2[O-])CCS1 ZINC000897850045 1033208976 /nfs/dbraw/zinc/20/89/76/1033208976.db2.gz DACNFOXYFPTBFL-LLVKDONJSA-N -1 1 328.865 3.519 20 10 EHCDMM CCO[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708147350 1028203702 /nfs/dbraw/zinc/20/37/02/1028203702.db2.gz YWQLOAUURGMGTJ-LBPRGKRZSA-N -1 1 348.668 3.809 20 10 EHCDMM [O-]c1cc(Br)cc(F)c1CN1CC[C@@]2(CC2(F)F)C1 ZINC001233032237 1036282087 /nfs/dbraw/zinc/28/20/87/1036282087.db2.gz WZKWHDSNVGSMIE-GFCCVEGCSA-N -1 1 336.151 3.525 20 10 EHCDMM Cn1cnc(-c2cccc(NCc3c([O-])ccc(Cl)c3F)c2)n1 ZINC000191473810 1036388987 /nfs/dbraw/zinc/38/89/87/1036388987.db2.gz ZDMVZSSBUAPSRM-UHFFFAOYSA-N -1 1 332.766 3.592 20 10 EHCDMM CCc1ccncc1NCc1cc(Br)cc(F)c1[O-] ZINC001179086305 1133227697 /nfs/dbraw/zinc/22/76/97/1133227697.db2.gz PSYHQQKHYPNFEJ-UHFFFAOYSA-N -1 1 325.181 3.863 20 10 EHCDMM C[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764758831 1127529549 /nfs/dbraw/zinc/52/95/49/1127529549.db2.gz VOJQCDZUSMAMGX-GXFFZTMASA-N -1 1 341.249 3.533 20 10 EHCDMM O=C(CC1CCCCC1)NCc1cccc(Br)c1[O-] ZINC000765751777 1127766499 /nfs/dbraw/zinc/76/64/99/1127766499.db2.gz SFVADFHORWBYME-UHFFFAOYSA-N -1 1 326.234 3.741 20 10 EHCDMM [O-]c1c(Br)cccc1CNC(=S)Nc1ccsc1 ZINC000765993266 1129589963 /nfs/dbraw/zinc/58/99/63/1129589963.db2.gz VABBIGBCEOKNKU-UHFFFAOYSA-N -1 1 343.271 3.703 20 10 EHCDMM O=C1N[C@H](c2cc(Cl)cc(F)c2[O-])Nc2cc(Cl)ccc21 ZINC000768265927 1133118853 /nfs/dbraw/zinc/11/88/53/1133118853.db2.gz IYAZMMDFYMEEBO-CYBMUJFWSA-N -1 1 327.142 3.692 20 10 EHCDMM O=C1N[C@@H](c2cc(Cl)cc(F)c2[O-])Nc2cccc(Cl)c21 ZINC000768273090 1133120309 /nfs/dbraw/zinc/12/03/09/1133120309.db2.gz HORXVFZIPDXBOB-ZDUSSCGKSA-N -1 1 327.142 3.692 20 10 EHCDMM [O-]c1c(F)cc(Cl)cc1CNc1ccccc1O[C@@H]1CCOC1 ZINC001178010573 1133123780 /nfs/dbraw/zinc/12/37/80/1133123780.db2.gz XNMSYUYLPDFVMF-CYBMUJFWSA-N -1 1 337.778 3.965 20 10 EHCDMM CCCOc1ccc(OCC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001180400188 1133365500 /nfs/dbraw/zinc/36/55/00/1133365500.db2.gz JNNMHMGLXVIKNL-UHFFFAOYSA-N -1 1 349.814 3.530 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCSc2ccccc21 ZINC001180410877 1133371567 /nfs/dbraw/zinc/37/15/67/1133371567.db2.gz UGVGCLNGUHXYRB-ZDUSSCGKSA-N -1 1 333.840 3.941 20 10 EHCDMM COc1cccc(NCc2cccc(Br)c2[O-])c1F ZINC000689980350 1133842231 /nfs/dbraw/zinc/84/22/31/1133842231.db2.gz GOMYXNYRGJJULA-UHFFFAOYSA-N -1 1 326.165 3.915 20 10 EHCDMM O=C(c1ccc(Cl)cc1)c1ccccc1[N-]S(=O)(=O)CC1CC1 ZINC001188973590 1134527230 /nfs/dbraw/zinc/52/72/30/1134527230.db2.gz HRZOWBIIIJOYSH-UHFFFAOYSA-N -1 1 349.839 3.723 20 10 EHCDMM CCN(CC)c1ccc(C)c(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001170321316 1134747604 /nfs/dbraw/zinc/74/76/04/1134747604.db2.gz ZRKZXNFFKZBPNM-UHFFFAOYSA-N -1 1 328.412 3.547 20 10 EHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(F)F)c1 ZINC000792702756 1134782436 /nfs/dbraw/zinc/78/24/36/1134782436.db2.gz FWRWVTRYSJIAAM-UHFFFAOYSA-N -1 1 345.392 3.853 20 10 EHCDMM C[C@H]1[C@@H](C(F)(F)F)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000793228567 1134878745 /nfs/dbraw/zinc/87/87/45/1134878745.db2.gz NOHFVOXYMDGGQX-XVKPBYJWSA-N -1 1 338.713 3.727 20 10 EHCDMM CC[C@H](N[C@@H](C)c1nncn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775498705 1134964493 /nfs/dbraw/zinc/96/44/93/1134964493.db2.gz NHQSXVJBKRAQMJ-KWQFWETISA-N -1 1 329.231 3.629 20 10 EHCDMM COc1ccc([C@@H](C)N(C)C(=O)c2ccc(O)c([O-])c2Cl)cc1 ZINC001193233218 1135116191 /nfs/dbraw/zinc/11/61/91/1135116191.db2.gz WMCWZJUOAZECKO-SNVBAGLBSA-N -1 1 335.787 3.593 20 10 EHCDMM CC[C@@H](Nc1ccc2c(c1)C(=O)NCC2)c1cccc(Cl)c1[O-] ZINC000806156963 1135403242 /nfs/dbraw/zinc/40/32/42/1135403242.db2.gz NQXIFQHSJDKYDK-MRXNPFEDSA-N -1 1 330.815 3.895 20 10 EHCDMM CC[C@@H](Nc1cccc(C(N)=O)c1OC)c1cccc(Cl)c1[O-] ZINC000806158804 1135404362 /nfs/dbraw/zinc/40/43/62/1135404362.db2.gz RRRLTNJCQIPDBB-CYBMUJFWSA-N -1 1 334.803 3.716 20 10 EHCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000828006240 1135551220 /nfs/dbraw/zinc/55/12/20/1135551220.db2.gz KEXACKDIQAWTPN-LBPRGKRZSA-N -1 1 347.361 3.786 20 10 EHCDMM CCS(=O)(=O)c1ccc([O-])c(Nc2ccc(NC(C)C)cc2)c1 ZINC001201498390 1136028939 /nfs/dbraw/zinc/02/89/39/1136028939.db2.gz WWGTYLUGDKAGCO-UHFFFAOYSA-N -1 1 334.441 3.750 20 10 EHCDMM CC(C)(C)c1cc(NCc2cccc(Br)c2[O-])ncn1 ZINC000853538349 1136542384 /nfs/dbraw/zinc/54/23/84/1136542384.db2.gz PJOXUTCCWCMPEJ-UHFFFAOYSA-N -1 1 336.233 3.854 20 10 EHCDMM Cc1cc(C=C2SC(=S)[N-]C2=O)ccc1Oc1cccnc1 ZINC000112224163 1136615280 /nfs/dbraw/zinc/61/52/80/1136615280.db2.gz ZSGCFPAXMPDQSR-ZSOIEALJSA-N -1 1 328.418 3.671 20 10 EHCDMM C[C@H](NCc1c(F)cc(F)cc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000815650057 1136626174 /nfs/dbraw/zinc/62/61/74/1136626174.db2.gz HLCCIIXNSGTJJN-QMMMGPOBSA-N -1 1 326.274 3.569 20 10 EHCDMM C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)[C@H]1C(=O)[O-] ZINC000818631780 1136886904 /nfs/dbraw/zinc/88/69/04/1136886904.db2.gz PVMIEZYIXYAZFZ-IFXJQAMLSA-N -1 1 325.408 3.744 20 10 EHCDMM CCc1ccc(C2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)cc1 ZINC000863943275 1137208682 /nfs/dbraw/zinc/20/86/82/1137208682.db2.gz VNGOZXSYPUJWFV-UHFFFAOYSA-N -1 1 343.398 3.819 20 10 EHCDMM CC(C)(C)n1cc(NCc2cc(Br)cc(F)c2[O-])cn1 ZINC000883078493 1137843659 /nfs/dbraw/zinc/84/36/59/1137843659.db2.gz SJZJIMSGKKIGGG-UHFFFAOYSA-N -1 1 342.212 3.857 20 10 EHCDMM O=C([O-])C[C@@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000739638888 599840398 /nfs/dbraw/zinc/84/03/98/599840398.db2.gz DKVLUSITXVEPMW-ZDUSSCGKSA-N -1 1 343.423 3.846 20 10 EHCDMM O=C([O-])C[C@@H]1CCCC[N@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000739638888 599840400 /nfs/dbraw/zinc/84/04/00/599840400.db2.gz DKVLUSITXVEPMW-ZDUSSCGKSA-N -1 1 343.423 3.846 20 10 EHCDMM CC(C)[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])CC1CC1 ZINC000728195694 1014940553 /nfs/dbraw/zinc/94/05/53/1014940553.db2.gz MNCAJAPUIXPIIW-UHFFFAOYSA-N -1 1 339.435 3.949 20 10 EHCDMM CC(C)COC[C@@H](N[C@H](C)c1cc(C(=O)[O-])ccc1O)c1ccco1 ZINC001591391356 992451702 /nfs/dbraw/zinc/45/17/02/992451702.db2.gz XKTAPOLBNDGHBA-CZUORRHYSA-N -1 1 347.411 3.748 20 10 EHCDMM O=C(CCCOCc1ccccc1)NCc1cccc(Cl)c1[O-] ZINC000890757960 1016369801 /nfs/dbraw/zinc/36/98/01/1016369801.db2.gz OJTJEPJIJWFYRF-UHFFFAOYSA-N -1 1 333.815 3.659 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cccc([C@H]2CCCOC2)c1 ZINC000890760794 1016386533 /nfs/dbraw/zinc/38/65/33/1016386533.db2.gz YZKIIWBZVBHODX-INIZCTEOSA-N -1 1 345.826 3.870 20 10 EHCDMM CCO[C@H](C)c1ncc(C(=O)NCc2cccc(Cl)c2[O-])s1 ZINC000890760826 1016386574 /nfs/dbraw/zinc/38/65/74/1016386574.db2.gz ZXMUEHWNCZQFFI-SECBINFHSA-N -1 1 340.832 3.530 20 10 EHCDMM O=C(c1ccc(NCc2cccc(Cl)c2[O-])cc1)N1CCCC1 ZINC000280624672 1020517118 /nfs/dbraw/zinc/51/71/18/1020517118.db2.gz GFECOWDNRGSNTG-UHFFFAOYSA-N -1 1 330.815 3.894 20 10 EHCDMM Cc1csc(C2(N[C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])CCC2)n1 ZINC000273474368 1027446596 /nfs/dbraw/zinc/44/65/96/1027446596.db2.gz KMCQAZFIHIEDFU-NSHDSACASA-N -1 1 333.413 3.795 20 10 EHCDMM CCc1nnc([C@@H](C)N[C@H](C)c2ccc(Cl)c(Cl)c2[O-])[nH]1 ZINC000273479087 1027448595 /nfs/dbraw/zinc/44/85/95/1027448595.db2.gz LPXVRSBDUPTTEQ-HTQZYQBOSA-N -1 1 329.231 3.791 20 10 EHCDMM CC(C)(CCC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000784366362 1036832455 /nfs/dbraw/zinc/83/24/55/1036832455.db2.gz IMAJLNPTAYVBKM-UHFFFAOYSA-N -1 1 342.391 3.582 20 10 EHCDMM CC(C)Sc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000783077241 1037946295 /nfs/dbraw/zinc/94/62/95/1037946295.db2.gz YZQQXHBIHOINCO-UHFFFAOYSA-N -1 1 346.404 3.638 20 10 EHCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C1CCCC1 ZINC000764780356 1127533755 /nfs/dbraw/zinc/53/37/55/1127533755.db2.gz OJEVEIFWIQQUBX-SNVBAGLBSA-N -1 1 341.249 3.533 20 10 EHCDMM CC[C@H](C)C[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764792910 1127534165 /nfs/dbraw/zinc/53/41/65/1127534165.db2.gz ZKZRBDKMYKJFDX-QWRGUYRKSA-N -1 1 343.265 3.779 20 10 EHCDMM [O-]c1c(Br)cccc1CNc1ncnc2cccc(F)c21 ZINC000764934296 1127555136 /nfs/dbraw/zinc/55/51/36/1127555136.db2.gz KVMSPSATVDZZHN-UHFFFAOYSA-N -1 1 348.175 3.849 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccsc1 ZINC000765304569 1127596108 /nfs/dbraw/zinc/59/61/08/1127596108.db2.gz WNYQKFUUBWDKCX-UHFFFAOYSA-N -1 1 327.203 3.538 20 10 EHCDMM C[C@@H](CC(C)(C)C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765731032 1127749475 /nfs/dbraw/zinc/74/94/75/1127749475.db2.gz FSXDTBQYVKDRGA-JTQLQIEISA-N -1 1 328.250 3.843 20 10 EHCDMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])c1cccs1 ZINC000765746060 1127764166 /nfs/dbraw/zinc/76/41/66/1127764166.db2.gz CNUMQPGVGJUBPW-SECBINFHSA-N -1 1 340.242 3.636 20 10 EHCDMM CC(C)(C)CCCC(=O)NCc1cccc(Br)c1[O-] ZINC000765767985 1128099111 /nfs/dbraw/zinc/09/91/11/1128099111.db2.gz GVHJODUBHKAENZ-UHFFFAOYSA-N -1 1 328.250 3.987 20 10 EHCDMM CC[C@H](C)[C@H](NC(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC001670803957 1120265171 /nfs/dbraw/zinc/26/51/71/1120265171.db2.gz FUUCDBHAAQPMJB-UFBFGSQYSA-N -1 1 338.757 3.822 20 10 EHCDMM CC1(C)CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000743391317 1131909420 /nfs/dbraw/zinc/90/94/20/1131909420.db2.gz ODLGRHTUASPKHM-UHFFFAOYSA-N -1 1 325.408 3.561 20 10 EHCDMM CC1(C)CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000743391317 1131909425 /nfs/dbraw/zinc/90/94/25/1131909425.db2.gz ODLGRHTUASPKHM-UHFFFAOYSA-N -1 1 325.408 3.561 20 10 EHCDMM CCCC(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000768880500 1133195779 /nfs/dbraw/zinc/19/57/79/1133195779.db2.gz ABWNTSSEAFDUHI-UHFFFAOYSA-N -1 1 345.270 3.580 20 10 EHCDMM [O-]c1c(F)cc(F)cc1CNc1nn(CC(F)F)c2ccccc12 ZINC001179826443 1133292259 /nfs/dbraw/zinc/29/22/59/1133292259.db2.gz ZNNJUZWKXMRWHJ-UHFFFAOYSA-N -1 1 339.292 3.897 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(-c2ccccc2)[nH]1 ZINC001180410882 1133371371 /nfs/dbraw/zinc/37/13/71/1133371371.db2.gz UJYOJIVPKBVBCD-UHFFFAOYSA-N -1 1 326.783 3.971 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])C1(Sc2ccccc2)CC1 ZINC001180410349 1133371640 /nfs/dbraw/zinc/37/16/40/1133371640.db2.gz OLDNNXVVHCQFJG-UHFFFAOYSA-N -1 1 333.840 3.987 20 10 EHCDMM Cn1cc(C(=O)NCc2cccc(Cl)c2[O-])c2cc(F)ccc21 ZINC001180411361 1133371979 /nfs/dbraw/zinc/37/19/79/1133371979.db2.gz XCWJLOLTWMHLFR-UHFFFAOYSA-N -1 1 332.762 3.606 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(Br)s1 ZINC001180411455 1133372271 /nfs/dbraw/zinc/37/22/71/1133372271.db2.gz YTLMMCQUZZVXKL-UHFFFAOYSA-N -1 1 346.633 3.800 20 10 EHCDMM COc1ccc(N[C@@H](C)c2cc(Br)cc(F)c2[O-])cn1 ZINC000785567170 1133728273 /nfs/dbraw/zinc/72/82/73/1133728273.db2.gz MPVVTTDHOBAGAM-QMMMGPOBSA-N -1 1 341.180 3.871 20 10 EHCDMM CC[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CC[C@@H]1c1ccccc1 ZINC000789989631 1134356465 /nfs/dbraw/zinc/35/64/65/1134356465.db2.gz KCJHCWIETHTQCL-HIFRSBDPSA-N -1 1 343.398 3.893 20 10 EHCDMM CC1(C)CCCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000790065683 1134367364 /nfs/dbraw/zinc/36/73/64/1134367364.db2.gz OTRPEUULQSUZFN-LBPRGKRZSA-N -1 1 340.261 3.987 20 10 EHCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)cc(C(F)(F)F)c1 ZINC001189982448 1134646637 /nfs/dbraw/zinc/64/66/37/1134646637.db2.gz QSCVZZYKTJPDDD-UHFFFAOYSA-N -1 1 349.305 3.659 20 10 EHCDMM O=C(CNc1ccccc1OC1CCCC1)c1ccc([O-])c(O)c1 ZINC001170323488 1134747641 /nfs/dbraw/zinc/74/76/41/1134747641.db2.gz ZLCZDUZJROQNEL-UHFFFAOYSA-N -1 1 327.380 3.714 20 10 EHCDMM COc1cc(NCc2cccc(Cl)c2[O-])c(OC)c(C)c1OC ZINC000793393144 1134922579 /nfs/dbraw/zinc/92/25/79/1134922579.db2.gz DFNGOQCREXCYNZ-UHFFFAOYSA-N -1 1 337.803 3.992 20 10 EHCDMM O=C(N[C@@H](c1ccccc1)C(F)(F)F)c1ccc(O)c([O-])c1Cl ZINC001193247036 1135118097 /nfs/dbraw/zinc/11/80/97/1135118097.db2.gz ISKPNUCOTXEVRZ-ZDUSSCGKSA-N -1 1 345.704 3.785 20 10 EHCDMM COc1ccc2ccc(NC(=O)c3ccc(O)c([O-])c3Cl)cc2n1 ZINC001193229725 1135120199 /nfs/dbraw/zinc/12/01/99/1135120199.db2.gz KUXFDQYSSSGVQN-UHFFFAOYSA-N -1 1 344.754 3.560 20 10 EHCDMM CC[C@H](NCc1nncn1CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806130886 1135395947 /nfs/dbraw/zinc/39/59/47/1135395947.db2.gz DJRPPSBFJHGFMS-LBPRGKRZSA-N -1 1 329.231 3.551 20 10 EHCDMM CC[C@@H](NCc1nncn1CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806130885 1135396465 /nfs/dbraw/zinc/39/64/65/1135396465.db2.gz DJRPPSBFJHGFMS-GFCCVEGCSA-N -1 1 329.231 3.551 20 10 EHCDMM [O-]c1c(Cl)cccc1CN1CCN(c2cccc(F)c2F)CC1 ZINC000775696013 1135532292 /nfs/dbraw/zinc/53/22/92/1135532292.db2.gz GIEBBWLVLWSDTE-UHFFFAOYSA-N -1 1 338.785 3.646 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1c(F)cc(F)cc1F ZINC001201320952 1136007042 /nfs/dbraw/zinc/00/70/42/1136007042.db2.gz NHFAUMAHPCAYLD-UHFFFAOYSA-N -1 1 330.693 3.785 20 10 EHCDMM [O-]c1c(F)cc(Cl)cc1CN1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811518084 1136098169 /nfs/dbraw/zinc/09/81/69/1136098169.db2.gz GJDUANFPMCOCMS-GDBMZVCRSA-N -1 1 325.811 3.718 20 10 EHCDMM O=C1N[C@@H](c2cc(Cl)c(F)cc2[O-])Nc2cc(Cl)ccc21 ZINC000877847283 1137693172 /nfs/dbraw/zinc/69/31/72/1137693172.db2.gz UVWOFBWDMONENY-ZDUSSCGKSA-N -1 1 327.142 3.692 20 10 EHCDMM CCc1nc(CNCc2cc(Cl)cc(Br)c2[O-])co1 ZINC000883136901 1137845949 /nfs/dbraw/zinc/84/59/49/1137845949.db2.gz RKBJKBSPDJNFHQ-UHFFFAOYSA-N -1 1 345.624 3.648 20 10 EHCDMM C[C@H](N[C@@H]1c2ccccc2CC[C@@H]1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883376112 1137857961 /nfs/dbraw/zinc/85/79/61/1137857961.db2.gz FKTJYEVXCDESSH-SDDDUWNISA-N -1 1 330.359 3.977 20 10 EHCDMM C[C@H](N[C@@H](CCO)C(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000886801204 1138143983 /nfs/dbraw/zinc/14/39/83/1138143983.db2.gz JQYGPOKEULWXIZ-KGFZYKRKSA-N -1 1 332.149 3.663 20 10 EHCDMM C[C@@H](C[N@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C1CC1)C(=O)[O-] ZINC000736585019 599933623 /nfs/dbraw/zinc/93/36/23/599933623.db2.gz RCVLQFZDABPKLE-LBPRGKRZSA-N -1 1 343.423 3.702 20 10 EHCDMM C[C@@H](C[N@@H+](Cc1c2c(ccc1[O-])oc1c2CCCC1)C1CC1)C(=O)[O-] ZINC000736585019 599933624 /nfs/dbraw/zinc/93/36/24/599933624.db2.gz RCVLQFZDABPKLE-LBPRGKRZSA-N -1 1 343.423 3.702 20 10 EHCDMM C[C@H]1CCC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000728194419 1014940985 /nfs/dbraw/zinc/94/09/85/1014940985.db2.gz PFUCJATXAITDED-AWEZNQCLSA-N -1 1 325.408 3.561 20 10 EHCDMM C[C@H]1CCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000728194419 1014940997 /nfs/dbraw/zinc/94/09/97/1014940997.db2.gz PFUCJATXAITDED-AWEZNQCLSA-N -1 1 325.408 3.561 20 10 EHCDMM CC(C)CC[N@@H+](C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728199473 1014953482 /nfs/dbraw/zinc/95/34/82/1014953482.db2.gz VEQUUCBOAWCDIJ-UHFFFAOYSA-N -1 1 327.424 3.807 20 10 EHCDMM CC(C)CC[N@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728199473 1014953487 /nfs/dbraw/zinc/95/34/87/1014953487.db2.gz VEQUUCBOAWCDIJ-UHFFFAOYSA-N -1 1 327.424 3.807 20 10 EHCDMM CC(C)CC[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728199473 1014953490 /nfs/dbraw/zinc/95/34/90/1014953490.db2.gz VEQUUCBOAWCDIJ-UHFFFAOYSA-N -1 1 327.424 3.807 20 10 EHCDMM CN(Cc1occc1C(=O)[O-])Cc1ccc(N2CCCCC2)cc1 ZINC001598519359 992660095 /nfs/dbraw/zinc/66/00/95/992660095.db2.gz UTWNNLQIXCOOPR-UHFFFAOYSA-N -1 1 328.412 3.600 20 10 EHCDMM COc1ccc(OCCCC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890756480 1016363880 /nfs/dbraw/zinc/36/38/80/1016363880.db2.gz DQECBBHOOWBSGN-UHFFFAOYSA-N -1 1 349.814 3.530 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(C2CC2)cnc1Cl ZINC000890759902 1016381413 /nfs/dbraw/zinc/38/14/13/1016381413.db2.gz VJXBKZZPPHHBRO-UHFFFAOYSA-N -1 1 337.206 3.901 20 10 EHCDMM O=C(C[C@H](c1ccc(O)cc1)C1CC1)NCc1cccc(Cl)c1[O-] ZINC000890761484 1016393023 /nfs/dbraw/zinc/39/30/23/1016393023.db2.gz TXBDQKVNTNPVPX-INIZCTEOSA-N -1 1 345.826 3.951 20 10 EHCDMM COc1cccc(C(C)(C)C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000890763381 1016422569 /nfs/dbraw/zinc/42/25/69/1016422569.db2.gz UTLKWONSLAKYAH-UHFFFAOYSA-N -1 1 333.815 3.648 20 10 EHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C2CC2)c1[O-] ZINC000728559776 1029522388 /nfs/dbraw/zinc/52/23/88/1029522388.db2.gz JHATXTOQBDTVHF-GOSISDBHSA-N -1 1 337.419 3.703 20 10 EHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@@H]2C2CC2)c1[O-] ZINC000728559776 1029522392 /nfs/dbraw/zinc/52/23/92/1029522392.db2.gz JHATXTOQBDTVHF-GOSISDBHSA-N -1 1 337.419 3.703 20 10 EHCDMM CCOCc1nc(Cl)cc(NCc2cccc(Cl)c2[O-])n1 ZINC000897392170 1032040905 /nfs/dbraw/zinc/04/09/05/1032040905.db2.gz PTZWBJKVKKJMEB-UHFFFAOYSA-N -1 1 328.199 3.638 20 10 EHCDMM CCCCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764758750 1127529613 /nfs/dbraw/zinc/52/96/13/1127529613.db2.gz UNKFBVKQDQIDOA-UHFFFAOYSA-N -1 1 329.238 3.534 20 10 EHCDMM Cc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1C ZINC000765751168 1127765329 /nfs/dbraw/zinc/76/53/29/1127765329.db2.gz QKQPWXFNMWEBBT-UHFFFAOYSA-N -1 1 334.213 3.702 20 10 EHCDMM C[C@@H](NCc1cc(F)c(F)cc1[O-])c1nc(-c2cccc(F)c2)no1 ZINC001181056836 1133444590 /nfs/dbraw/zinc/44/45/90/1133444590.db2.gz VNPNUHIRBQBSBW-SECBINFHSA-N -1 1 349.312 3.710 20 10 EHCDMM Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc([O-])c(F)c2)cc1 ZINC001186226858 1134183066 /nfs/dbraw/zinc/18/30/66/1134183066.db2.gz RUKHEYKNRHLHCI-UHFFFAOYSA-N -1 1 336.366 3.961 20 10 EHCDMM CC[C@@H](N[C@H](C)c1ncnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000788983394 1134199803 /nfs/dbraw/zinc/19/98/03/1134199803.db2.gz MFLWAEFJMPVDKX-LDYMZIIASA-N -1 1 329.231 3.629 20 10 EHCDMM CC(C)(C)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)c([N+](=O)[O-])c1 ZINC001170315186 1134745287 /nfs/dbraw/zinc/74/52/87/1134745287.db2.gz SWRUGCMTYZOZAX-UHFFFAOYSA-N -1 1 344.367 3.598 20 10 EHCDMM Cc1ccc(C(F)(F)F)cc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170314596 1134745545 /nfs/dbraw/zinc/74/55/45/1134745545.db2.gz GGXAAJOMGCRKJW-UHFFFAOYSA-N -1 1 325.286 3.720 20 10 EHCDMM [O-]c1c(F)cc(Cl)cc1CNCc1ccn(Cc2ccccc2)n1 ZINC000793623503 1134975082 /nfs/dbraw/zinc/97/50/82/1134975082.db2.gz HOCFLQGAWPESKT-UHFFFAOYSA-N -1 1 345.805 3.719 20 10 EHCDMM CC(C)Oc1ccc(CCNC(=O)c2ccc(O)c([O-])c2Cl)cc1 ZINC001193236529 1135117465 /nfs/dbraw/zinc/11/74/65/1135117465.db2.gz GUDCRVCZAQCBOJ-UHFFFAOYSA-N -1 1 349.814 3.511 20 10 EHCDMM CC(C)(C)c1ccc(CNC(=O)c2ccc(O)c([O-])c2Cl)cc1 ZINC001193237152 1135117538 /nfs/dbraw/zinc/11/75/38/1135117538.db2.gz YOSMYFZBPSBZGJ-UHFFFAOYSA-N -1 1 333.815 3.979 20 10 EHCDMM CC(C)OCc1cccc(NC(=O)c2ccc(O)c([O-])c2Cl)c1 ZINC001193229064 1135119692 /nfs/dbraw/zinc/11/96/92/1135119692.db2.gz CTWVJMVZMNJLPO-UHFFFAOYSA-N -1 1 335.787 3.929 20 10 EHCDMM O=C(c1ccc(F)cc1)c1ccccc1[N-]S(=O)(=O)CC1CCC1 ZINC001193468216 1135140952 /nfs/dbraw/zinc/14/09/52/1135140952.db2.gz OIKUCJOGUYSBEJ-UHFFFAOYSA-N -1 1 347.411 3.599 20 10 EHCDMM Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)s1 ZINC000814211761 1136422527 /nfs/dbraw/zinc/42/25/27/1136422527.db2.gz PABQLUJOLBEOTH-UHFFFAOYSA-N -1 1 335.809 3.664 20 10 EHCDMM Cn1cnc(-c2cccc(NCc3cc(Cl)c(F)cc3[O-])c2)n1 ZINC000816566796 1136738359 /nfs/dbraw/zinc/73/83/59/1136738359.db2.gz GZBLQFXEWLEJSP-UHFFFAOYSA-N -1 1 332.766 3.592 20 10 EHCDMM CC(C)(C)NC(=O)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883116996 1137845309 /nfs/dbraw/zinc/84/53/09/1137845309.db2.gz MXBZSQYICKWBKI-UHFFFAOYSA-N -1 1 334.366 3.811 20 10 EHCDMM CC[C@@H](C)NC(=O)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883141930 1137846118 /nfs/dbraw/zinc/84/61/18/1137846118.db2.gz SJCMICKKYQHVCO-LLVKDONJSA-N -1 1 334.366 3.811 20 10 EHCDMM C[C@H]1CC(=O)N(C)c2ccc(NCc3cc(F)cc(F)c3[O-])cc21 ZINC000883191239 1137847931 /nfs/dbraw/zinc/84/79/31/1137847931.db2.gz XKPPZSUOWMLYQS-JTQLQIEISA-N -1 1 332.350 3.753 20 10 EHCDMM CCc1ccc([C@H](COC)N[C@@H](C)c2ccc(F)c(F)c2[O-])o1 ZINC000187734712 1140269069 /nfs/dbraw/zinc/26/90/69/1140269069.db2.gz BQDXUAWLGKTVFU-HZMBPMFUSA-N -1 1 325.355 3.864 20 10 EHCDMM O=C([O-])[C@@H]1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000739583531 600419995 /nfs/dbraw/zinc/41/99/95/600419995.db2.gz RLRXOPCGILPAGX-GFCCVEGCSA-N -1 1 325.364 3.588 20 10 EHCDMM O=C([O-])[C@@H]1CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000739583531 600419997 /nfs/dbraw/zinc/41/99/97/600419997.db2.gz RLRXOPCGILPAGX-GFCCVEGCSA-N -1 1 325.364 3.588 20 10 EHCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000078005225 1018947965 /nfs/dbraw/zinc/94/79/65/1018947965.db2.gz LWEUXIHWQYDYRC-UHFFFAOYSA-N -1 1 332.208 3.808 20 10 EHCDMM Cc1cccc(CC2(O)CC[NH+](Cc3cc(F)cc(F)c3O)CC2)c1 ZINC000894618996 1022621326 /nfs/dbraw/zinc/62/13/26/1022621326.db2.gz IQIBBQUMDPRWBQ-UHFFFAOYSA-N -1 1 347.405 3.548 20 10 EHCDMM CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc2ccccc2cc1[O-] ZINC000175426071 1036357295 /nfs/dbraw/zinc/35/72/95/1036357295.db2.gz IWWBJPYWGVRCCA-UHFFFAOYSA-N -1 1 348.402 3.651 20 10 EHCDMM [O-]c1c(F)cc(Br)cc1CNc1ccc(C2CC2)nn1 ZINC000905414011 1038871198 /nfs/dbraw/zinc/87/11/98/1038871198.db2.gz XPSJGVYVSHBDQQ-UHFFFAOYSA-N -1 1 338.180 3.573 20 10 EHCDMM Cc1ncc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)s1 ZINC001212137900 1041182219 /nfs/dbraw/zinc/18/22/19/1041182219.db2.gz KPIXUVIWGWEBEC-UHFFFAOYSA-N -1 1 336.372 3.676 20 10 EHCDMM Cc1ccccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765210667 1127585085 /nfs/dbraw/zinc/58/50/85/1127585085.db2.gz MVDGNLDWLVIUOI-UHFFFAOYSA-N -1 1 335.201 3.785 20 10 EHCDMM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2OC(C)C)c(C)c1 ZINC000761996477 1121043383 /nfs/dbraw/zinc/04/33/83/1121043383.db2.gz VTHYHCDPIDKRID-UHFFFAOYSA-N -1 1 349.452 3.905 20 10 EHCDMM Cc1ccc2c(c1)C(=O)N(C)[C@@H](c1cccc(Br)c1[O-])N2 ZINC000153709614 1121612040 /nfs/dbraw/zinc/61/20/40/1121612040.db2.gz YRGZTRWANRLRQM-HNNXBMFYSA-N -1 1 347.212 3.659 20 10 EHCDMM O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)cc1[O-] ZINC000917117741 1122511534 /nfs/dbraw/zinc/51/15/34/1122511534.db2.gz SYAOAXFQFITZSP-UHFFFAOYSA-N -1 1 330.815 3.576 20 10 EHCDMM [O-]c1cccc(F)c1CN1CCc2c(Br)cccc2C1 ZINC001137838747 1130557474 /nfs/dbraw/zinc/55/74/74/1130557474.db2.gz JQJWZLTZFXSCDY-UHFFFAOYSA-N -1 1 336.204 3.852 20 10 EHCDMM C[C@H]1C[C@H](C)[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000740860622 1131549136 /nfs/dbraw/zinc/54/91/36/1131549136.db2.gz GSTOLXWYOSCWDD-KBPBESRZSA-N -1 1 325.408 3.559 20 10 EHCDMM C[C@H]1C[C@H](C)[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000740860622 1131549140 /nfs/dbraw/zinc/54/91/40/1131549140.db2.gz GSTOLXWYOSCWDD-KBPBESRZSA-N -1 1 325.408 3.559 20 10 EHCDMM C[C@H]1C[C@H](C)[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000740860622 1131549144 /nfs/dbraw/zinc/54/91/44/1131549144.db2.gz GSTOLXWYOSCWDD-KBPBESRZSA-N -1 1 325.408 3.559 20 10 EHCDMM CC(=O)N1CCc2c1cccc2NCc1cc(Cl)cc(F)c1[O-] ZINC000769554862 1133314241 /nfs/dbraw/zinc/31/42/41/1133314241.db2.gz AYIIJDNKHYTRFN-UHFFFAOYSA-N -1 1 334.778 3.706 20 10 EHCDMM Cc1cc(C)cc(OCCC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001180400206 1133365474 /nfs/dbraw/zinc/36/54/74/1133365474.db2.gz JSGMFAZBNQBRLC-UHFFFAOYSA-N -1 1 333.815 3.748 20 10 EHCDMM CC[C@H](N[C@H](C)c1ncnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000788983392 1134199548 /nfs/dbraw/zinc/19/95/48/1134199548.db2.gz MFLWAEFJMPVDKX-KCJUWKMLSA-N -1 1 329.231 3.629 20 10 EHCDMM [O-]c1ccc(Cl)c(F)c1CNc1cccc(N2CCOCC2)c1 ZINC000790954441 1134484773 /nfs/dbraw/zinc/48/47/73/1134484773.db2.gz RYSVPGIWFOJLSK-UHFFFAOYSA-N -1 1 336.794 3.633 20 10 EHCDMM COC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)c(OC)c1 ZINC000792180785 1134664618 /nfs/dbraw/zinc/66/46/18/1134664618.db2.gz UMWWPYXPUPIDBQ-UHFFFAOYSA-N -1 1 339.750 3.592 20 10 EHCDMM O=C(Nc1csc(-c2ccncc2)n1)c1ccc(O)c([O-])c1Cl ZINC001193218536 1135115822 /nfs/dbraw/zinc/11/58/22/1135115822.db2.gz AYZXPHHSGHWLTG-UHFFFAOYSA-N -1 1 347.783 3.522 20 10 EHCDMM COc1cc(NC(=O)c2ccc(O)c([O-])c2Cl)cc2cccnc21 ZINC001193230259 1135119926 /nfs/dbraw/zinc/11/99/26/1135119926.db2.gz SJPKHGAYSBVOSF-UHFFFAOYSA-N -1 1 344.754 3.560 20 10 EHCDMM COc1cnc2c(cccc2NC(=O)c2ccc(O)c([O-])c2Cl)c1 ZINC001193229901 1135119957 /nfs/dbraw/zinc/11/99/57/1135119957.db2.gz OPWFNZAELOGQCN-UHFFFAOYSA-N -1 1 344.754 3.560 20 10 EHCDMM Cc1cc([N-]S(=O)(=O)c2c(C)cccc2Cl)c(C)cc1O ZINC001195308022 1135410687 /nfs/dbraw/zinc/41/06/87/1135410687.db2.gz FPUCDBGBWCAUDY-UHFFFAOYSA-N -1 1 325.817 3.772 20 10 EHCDMM Cc1c(NCc2cccc(Cl)c2[O-])cccc1N1CCOC1=O ZINC000775757154 1135646028 /nfs/dbraw/zinc/64/60/28/1135646028.db2.gz CDBIKPGDJKBHOF-UHFFFAOYSA-N -1 1 332.787 3.923 20 10 EHCDMM O=C1NCCCN1c1cc(NCc2cccc(Cl)c2[O-])ccc1F ZINC000809773599 1135881321 /nfs/dbraw/zinc/88/13/21/1135881321.db2.gz GZPBNGIVQNMSMV-UHFFFAOYSA-N -1 1 349.793 3.717 20 10 EHCDMM O=C1CCN(Cc2c([O-])ccc(Cl)c2F)c2ccc(F)cc2N1 ZINC000811508582 1136102220 /nfs/dbraw/zinc/10/22/20/1136102220.db2.gz XXQYIBSLQOPYHL-UHFFFAOYSA-N -1 1 338.741 3.673 20 10 EHCDMM CC(C=C1SC(=S)[N-]C1=O)=Cc1ccccc1OC(F)F ZINC000811685657 1136121815 /nfs/dbraw/zinc/12/18/15/1136121815.db2.gz YRPMTJWKFNIAEK-VJUDZZRDSA-N -1 1 327.377 3.723 20 10 EHCDMM Cc1ccc2ncccc2c1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000776748699 1136629248 /nfs/dbraw/zinc/62/92/48/1136629248.db2.gz CNCCPYSJFYMCGM-UHFFFAOYSA-N -1 1 348.811 3.703 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CC2CCC1CC2 ZINC000816495880 1136725222 /nfs/dbraw/zinc/72/52/22/1136725222.db2.gz NCGUAHLTWVVTQT-GCZXYKMCSA-N -1 1 338.245 3.597 20 10 EHCDMM C[S@@](=O)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1F ZINC000816527286 1136734174 /nfs/dbraw/zinc/73/41/74/1136734174.db2.gz DGIYAJDYVYYSDW-OAQYLSRUSA-N -1 1 331.771 3.673 20 10 EHCDMM Cc1ccc(C[C@@H]2CCCN(C(=O)c3c(F)ccc(O)c3[O-])C2)cc1 ZINC000825652753 1137590000 /nfs/dbraw/zinc/59/00/00/1137590000.db2.gz LZMDNUURWNVSTJ-HNNXBMFYSA-N -1 1 343.398 3.640 20 10 EHCDMM O=C(c1cccc(NCc2cc(F)cc(F)c2[O-])c1)N1CCCCC1 ZINC000883056430 1137842979 /nfs/dbraw/zinc/84/29/79/1137842979.db2.gz LFKQBIYGYPHNEF-UHFFFAOYSA-N -1 1 346.377 3.909 20 10 EHCDMM Cc1cc(C(=O)N2CCCC2)ccc1NCc1cc(F)cc(F)c1[O-] ZINC000883144802 1137846219 /nfs/dbraw/zinc/84/62/19/1137846219.db2.gz BFDLGAKWJKNEPR-UHFFFAOYSA-N -1 1 346.377 3.827 20 10 EHCDMM C[C@@H]1CC(=O)N(C)c2ccc(NCc3cc(F)cc(F)c3[O-])cc21 ZINC000883191240 1137847894 /nfs/dbraw/zinc/84/78/94/1137847894.db2.gz XKPPZSUOWMLYQS-SNVBAGLBSA-N -1 1 332.350 3.753 20 10 EHCDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)c1 ZINC000187058272 1140235387 /nfs/dbraw/zinc/23/53/87/1140235387.db2.gz OAJUQSCHTMBBSM-UHFFFAOYSA-N -1 1 347.436 3.711 20 10 EHCDMM CCc1ccc([C@H](COC)N[C@H](C)c2ccc(F)c(F)c2[O-])o1 ZINC000187734749 1140269193 /nfs/dbraw/zinc/26/91/93/1140269193.db2.gz BQDXUAWLGKTVFU-YGRLFVJLSA-N -1 1 325.355 3.864 20 10 EHCDMM CC[C@H]1CCC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728195198 1014938963 /nfs/dbraw/zinc/93/89/63/1014938963.db2.gz CRDFURFAWULWNV-HNNXBMFYSA-N -1 1 325.408 3.703 20 10 EHCDMM CC[C@H]1CCC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728195198 1014938979 /nfs/dbraw/zinc/93/89/79/1014938979.db2.gz CRDFURFAWULWNV-HNNXBMFYSA-N -1 1 325.408 3.703 20 10 EHCDMM CCC1CC[NH+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1 ZINC000728196296 1014942232 /nfs/dbraw/zinc/94/22/32/1014942232.db2.gz OKQUKXJFFBCREW-UHFFFAOYSA-N -1 1 339.435 3.951 20 10 EHCDMM COc1cccc([C@H](C)CC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000890759608 1016382757 /nfs/dbraw/zinc/38/27/57/1016382757.db2.gz DRYYLEGJZZITIT-GFCCVEGCSA-N -1 1 333.815 3.864 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1C[C@]12CCc1ccccc12 ZINC000890760579 1016384437 /nfs/dbraw/zinc/38/44/37/1016384437.db2.gz UFMTUXJUIQAEDO-BEFAXECRSA-N -1 1 327.811 3.566 20 10 EHCDMM CO[C@@H](C)c1nc(CN[C@H](C)c2ccc(F)c(F)c2[O-])cs1 ZINC000276932153 1023406782 /nfs/dbraw/zinc/40/67/82/1023406782.db2.gz ONECYKJQJGUJOR-BDAKNGLRSA-N -1 1 328.384 3.685 20 10 EHCDMM C[C@@]1(CCNC(=O)NCc2cccc(Cl)c2[O-])C[C@@]1(F)Cl ZINC000895547471 1024591515 /nfs/dbraw/zinc/59/15/15/1024591515.db2.gz ABBALBGIPHFUJS-KGLIPLIRSA-N -1 1 335.206 3.550 20 10 EHCDMM O=C1CCC[C@H](c2cccc(NCc3cccc(Cl)c3[O-])c2)N1 ZINC000895893659 1024949785 /nfs/dbraw/zinc/94/97/85/1024949785.db2.gz LBSNRGBKKVKPBO-MRXNPFEDSA-N -1 1 330.815 3.999 20 10 EHCDMM O=C(NCC[C@H]1CCCC1(F)F)NCc1cccc(Cl)c1[O-] ZINC000896438818 1025448904 /nfs/dbraw/zinc/44/89/04/1025448904.db2.gz RQWVEVDRNISUFK-LLVKDONJSA-N -1 1 332.778 3.670 20 10 EHCDMM Cc1csc(C(C)(C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000116382238 1026911656 /nfs/dbraw/zinc/91/16/56/1026911656.db2.gz TXGJTVUVEWMLHA-UHFFFAOYSA-N -1 1 341.820 3.744 20 10 EHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCC[C@H]2C2CC2)c1[O-] ZINC000728559777 1029522840 /nfs/dbraw/zinc/52/28/40/1029522840.db2.gz JHATXTOQBDTVHF-SFHVURJKSA-N -1 1 337.419 3.703 20 10 EHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCC[C@H]2C2CC2)c1[O-] ZINC000728559777 1029522849 /nfs/dbraw/zinc/52/28/49/1029522849.db2.gz JHATXTOQBDTVHF-SFHVURJKSA-N -1 1 337.419 3.703 20 10 EHCDMM Cc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1O ZINC001211701682 1043529727 /nfs/dbraw/zinc/52/97/27/1043529727.db2.gz LQRCJQIVMSSOHP-UHFFFAOYSA-N -1 1 345.354 3.925 20 10 EHCDMM Cc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1F ZINC000765726417 1127744034 /nfs/dbraw/zinc/74/40/34/1127744034.db2.gz GYOMSOMGJSQZML-UHFFFAOYSA-N -1 1 338.176 3.532 20 10 EHCDMM CC1(C)CCC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765735656 1127758175 /nfs/dbraw/zinc/75/81/75/1127758175.db2.gz IGRBHHPFDOWIOJ-LLVKDONJSA-N -1 1 340.261 3.987 20 10 EHCDMM C/C(=C\C(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765766806 1128080535 /nfs/dbraw/zinc/08/05/35/1128080535.db2.gz BUKRJJMTFNVGTF-ZRDIBKRKSA-N -1 1 346.224 3.874 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCC(F)(F)C1 ZINC000282262939 1128139675 /nfs/dbraw/zinc/13/96/75/1128139675.db2.gz PEYQDCMFLMKZGJ-SECBINFHSA-N -1 1 348.187 3.596 20 10 EHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@@H](C3CC3)C2)c1[O-] ZINC000763332941 1121962717 /nfs/dbraw/zinc/96/27/17/1121962717.db2.gz QFLWDUVKUUKWJI-MRXNPFEDSA-N -1 1 337.419 3.561 20 10 EHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@@H](C3CC3)C2)c1[O-] ZINC000763332941 1121962720 /nfs/dbraw/zinc/96/27/20/1121962720.db2.gz QFLWDUVKUUKWJI-MRXNPFEDSA-N -1 1 337.419 3.561 20 10 EHCDMM CC(C)(C)c1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)s1 ZINC000769769649 1133339869 /nfs/dbraw/zinc/33/98/69/1133339869.db2.gz BRNVGTBCQZKBII-SDNWHVSQSA-N -1 1 326.421 3.507 20 10 EHCDMM O=C(NCCc1cc(Cl)cc(Cl)c1)c1c([O-])c(O)ccc1F ZINC000789964679 1134351819 /nfs/dbraw/zinc/35/18/19/1134351819.db2.gz ZWKWPCJIMGAOMF-UHFFFAOYSA-N -1 1 344.169 3.516 20 10 EHCDMM [O-]c1ccc(Cl)c(F)c1CNc1ccc(Br)nc1 ZINC000790241663 1134384198 /nfs/dbraw/zinc/38/41/98/1134384198.db2.gz ZYASLSPBDNBNQW-UHFFFAOYSA-N -1 1 331.572 3.954 20 10 EHCDMM O=C(CNc1cccnc1Oc1ccccc1)c1ccc([O-])c(O)c1 ZINC001170314921 1134745635 /nfs/dbraw/zinc/74/56/35/1134745635.db2.gz KZHNMQVOZIHFFB-UHFFFAOYSA-N -1 1 336.347 3.580 20 10 EHCDMM CC(C)OC(=O)c1ccc(NC(=O)c2ccc(O)c([O-])c2Cl)cc1 ZINC001193232274 1135116174 /nfs/dbraw/zinc/11/61/74/1135116174.db2.gz HIFHJQVLVCQJCS-UHFFFAOYSA-N -1 1 349.770 3.569 20 10 EHCDMM O=C(NCC1(Cc2ccccc2F)CC1)c1ccc(O)c([O-])c1Cl ZINC001193247404 1135118014 /nfs/dbraw/zinc/11/80/14/1135118014.db2.gz XRYQMMCIAJEMDQ-UHFFFAOYSA-N -1 1 349.789 3.643 20 10 EHCDMM Cc1cc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)sc1C ZINC000808115031 1135618817 /nfs/dbraw/zinc/61/88/17/1135618817.db2.gz MCYCJJYYXKOMMX-UHFFFAOYSA-N -1 1 335.809 3.664 20 10 EHCDMM O=C(c1ccncc1)c1ccccc1Nc1cc([O-])cc([N+](=O)[O-])c1 ZINC001201232140 1135997896 /nfs/dbraw/zinc/99/78/96/1135997896.db2.gz OZCDOTPQOBYTHT-UHFFFAOYSA-N -1 1 335.319 3.670 20 10 EHCDMM CC(C)Cc1ccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC000830184380 1136306407 /nfs/dbraw/zinc/30/64/07/1136306407.db2.gz CBWFEXJFDHSCJC-UHFFFAOYSA-N -1 1 341.379 3.670 20 10 EHCDMM COC(=O)N(C)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816523439 1136733224 /nfs/dbraw/zinc/73/32/24/1136733224.db2.gz PVUHGTGSNUUMPV-UHFFFAOYSA-N -1 1 338.766 3.999 20 10 EHCDMM NC(=O)N1CCCc2ccc(NCc3cc(Cl)c(F)cc3[O-])cc21 ZINC000816593991 1136739096 /nfs/dbraw/zinc/73/90/96/1136739096.db2.gz LWSUKFOCBIRIOK-UHFFFAOYSA-N -1 1 349.793 3.628 20 10 EHCDMM O=S(=O)(Cc1cccc(Cl)c1)Nc1ccc([O-])c(Cl)c1 ZINC000821192519 1137019128 /nfs/dbraw/zinc/01/91/28/1137019128.db2.gz VGOBHTAQDJYGJP-UHFFFAOYSA-N -1 1 332.208 3.641 20 10 EHCDMM CC(=O)Nc1cccc2c1CN(Cc1cccc(Cl)c1[O-])CC2 ZINC000877681651 1137685620 /nfs/dbraw/zinc/68/56/20/1137685620.db2.gz RHTRNRGLWMIMDX-UHFFFAOYSA-N -1 1 330.815 3.562 20 10 EHCDMM O=C1CCCCN1c1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000882908379 1137837460 /nfs/dbraw/zinc/83/74/60/1137837460.db2.gz OVOILTDUJDZSQT-UHFFFAOYSA-N -1 1 332.350 3.799 20 10 EHCDMM CC(=O)N(c1ccc(NCc2cc(F)cc(F)c2[O-])cc1)C1CC1 ZINC000883131533 1137845861 /nfs/dbraw/zinc/84/58/61/1137845861.db2.gz GPPFHKNCIGPNLG-UHFFFAOYSA-N -1 1 332.350 3.798 20 10 EHCDMM Cc1ccc(C)c(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000738573715 600143980 /nfs/dbraw/zinc/14/39/80/600143980.db2.gz HDRWPQFPWLMDID-UHFFFAOYSA-N -1 1 333.815 3.749 20 10 EHCDMM Cc1ccc(C)c(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000738573715 600143983 /nfs/dbraw/zinc/14/39/83/600143983.db2.gz HDRWPQFPWLMDID-UHFFFAOYSA-N -1 1 333.815 3.749 20 10 EHCDMM Cc1cc([O-])c(C[N@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC001594326335 958176482 /nfs/dbraw/zinc/17/64/82/958176482.db2.gz BKLYZFVWDHGTAV-AWEZNQCLSA-N -1 1 331.799 3.538 20 10 EHCDMM Cc1cc([O-])c(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC001594326335 958176483 /nfs/dbraw/zinc/17/64/83/958176483.db2.gz BKLYZFVWDHGTAV-AWEZNQCLSA-N -1 1 331.799 3.538 20 10 EHCDMM CC[C@@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1ccc(N(C)C)cc1 ZINC001595300207 980434144 /nfs/dbraw/zinc/43/41/44/980434144.db2.gz ORQVHUVPHCDUEO-MRXNPFEDSA-N -1 1 347.846 3.740 20 10 EHCDMM CCN(CC)c1ccc(CNCc2ccc(C(=O)[O-])cc2F)cc1F ZINC001596288563 983708010 /nfs/dbraw/zinc/70/80/10/983708010.db2.gz OWLJLVCCEGFUSO-UHFFFAOYSA-N -1 1 348.393 3.799 20 10 EHCDMM COc1ccc(C[C@H](C)C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890760390 1016385156 /nfs/dbraw/zinc/38/51/56/1016385156.db2.gz QLXBQVRIFMCOKJ-LBPRGKRZSA-N -1 1 333.815 3.549 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCCCC1(F)F ZINC000895087611 1024192262 /nfs/dbraw/zinc/19/22/62/1024192262.db2.gz UXWAEGLVTYYBHR-NSHDSACASA-N -1 1 332.778 3.670 20 10 EHCDMM C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])c2ccccc2O1 ZINC000895126368 1024641139 /nfs/dbraw/zinc/64/11/39/1024641139.db2.gz VNXUNPCDFDRGAK-IAQYHMDHSA-N -1 1 346.814 3.757 20 10 EHCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(-n2cnc3ccccc32)cc1 ZINC000006972081 1028227427 /nfs/dbraw/zinc/22/74/27/1028227427.db2.gz VYFNRNVNXXXAJP-DHDCSXOGSA-N -1 1 337.429 3.514 20 10 EHCDMM Cc1cc(NCc2cccc(Br)c2[O-])nc(C2CC2)n1 ZINC000764933555 1127555110 /nfs/dbraw/zinc/55/51/10/1127555110.db2.gz FKHOQVXIQNXKJW-UHFFFAOYSA-N -1 1 334.217 3.743 20 10 EHCDMM N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1cc(F)cc(F)c1[O-] ZINC001212479821 1129082876 /nfs/dbraw/zinc/08/28/76/1129082876.db2.gz UCBJBPZNYDOFED-NFTWOGHHSA-N -1 1 341.321 3.938 20 10 EHCDMM C[C@H](NCc1ncnn1C(C)(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000282417877 1129767169 /nfs/dbraw/zinc/76/71/69/1129767169.db2.gz CONXPQKAKCIIKQ-VIFPVBQESA-N -1 1 343.258 3.896 20 10 EHCDMM O=C(NCCCSc1nccs1)c1cc2ccccc2cc1[O-] ZINC000734358175 1131224519 /nfs/dbraw/zinc/22/45/19/1131224519.db2.gz BCKURSPAFRDLQR-UHFFFAOYSA-N -1 1 344.461 3.914 20 10 EHCDMM CCn1cc(CC(=O)NCc2cccc(Cl)c2[O-])c2ccccc21 ZINC001180411348 1133372635 /nfs/dbraw/zinc/37/26/35/1133372635.db2.gz WVSONSNPANOPMH-UHFFFAOYSA-N -1 1 342.826 3.879 20 10 EHCDMM [O-]c1c(Cl)cc(Cl)cc1CNCc1ncnn1-c1ccccc1 ZINC000785525457 1133716890 /nfs/dbraw/zinc/71/68/90/1133716890.db2.gz KHPJZIVFMJRYHH-UHFFFAOYSA-N -1 1 349.221 3.570 20 10 EHCDMM CC[C@H](NCc1cc(C)cc(Br)c1[O-])C(F)(F)F ZINC000786837758 1133907172 /nfs/dbraw/zinc/90/71/72/1133907172.db2.gz VZTVPUKTASYPSM-JTQLQIEISA-N -1 1 326.156 3.894 20 10 EHCDMM O=C1OCCN1c1cc(NCc2cccc(Cl)c2[O-])ccc1F ZINC000793321298 1134903588 /nfs/dbraw/zinc/90/35/88/1134903588.db2.gz XYFYBVHYYQCRMG-UHFFFAOYSA-N -1 1 336.750 3.753 20 10 EHCDMM C[N@@H+](CC(=O)Nc1ccccc1Cl)Cc1cccc(Cl)c1[O-] ZINC000775641674 1135381257 /nfs/dbraw/zinc/38/12/57/1135381257.db2.gz CZXLHLKAHDVJJW-UHFFFAOYSA-N -1 1 339.222 3.770 20 10 EHCDMM COc1cc(NCc2cccc(Cl)c2[O-])ccc1N1CCCC1=O ZINC000775750933 1135635702 /nfs/dbraw/zinc/63/57/02/1135635702.db2.gz YQOWQNHPVOSXHD-UHFFFAOYSA-N -1 1 346.814 3.793 20 10 EHCDMM CC(C=C1SC(=S)[N-]C1=O)=Cc1ccccc1OC(F)F ZINC000811685654 1136121726 /nfs/dbraw/zinc/12/17/26/1136121726.db2.gz YRPMTJWKFNIAEK-FAWHLJIPSA-N -1 1 327.377 3.723 20 10 EHCDMM CC(=O)c1cc(Cl)cc(CN2Cc3c[nH]nc3CC(C)(C)C2)c1[O-] ZINC000854056309 1136584332 /nfs/dbraw/zinc/58/43/32/1136584332.db2.gz FVGXOTYFOFZJRI-UHFFFAOYSA-N -1 1 347.846 3.556 20 10 EHCDMM C[C@H]1Oc2ccc(NCc3cc(Cl)c(F)cc3[O-])cc2NC1=O ZINC000816536631 1136731258 /nfs/dbraw/zinc/73/12/58/1136731258.db2.gz FIHCFITXSRBUHZ-MRVPVSSYSA-N -1 1 336.750 3.516 20 10 EHCDMM O=C(Cc1ccc(O)c(O)c1)Nc1cc(Cl)c([O-])c2ccccc12 ZINC001148253383 1137420717 /nfs/dbraw/zinc/42/07/17/1137420717.db2.gz QVKAETTVTVLAEA-UHFFFAOYSA-N -1 1 343.766 3.791 20 10 EHCDMM Cc1ccc(C[C@H]2CCCN(C(=O)c3c(F)ccc(O)c3[O-])C2)cc1 ZINC000825652754 1137590044 /nfs/dbraw/zinc/59/00/44/1137590044.db2.gz LZMDNUURWNVSTJ-OAHLLOKOSA-N -1 1 343.398 3.640 20 10 EHCDMM CN(Cc1ccc(Cl)nc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000125723342 1137643236 /nfs/dbraw/zinc/64/32/36/1137643236.db2.gz KYXQNHRZOIBHIV-UHFFFAOYSA-N -1 1 342.182 3.634 20 10 EHCDMM CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H](C(=O)[O-])c2ccccc2)c1[O-] ZINC000825942396 601418977 /nfs/dbraw/zinc/41/89/77/601418977.db2.gz WTYXYDILJVVBDO-MRXNPFEDSA-N -1 1 347.798 3.506 20 10 EHCDMM CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H](C(=O)[O-])c2ccccc2)c1[O-] ZINC000825942396 601418979 /nfs/dbraw/zinc/41/89/79/601418979.db2.gz WTYXYDILJVVBDO-MRXNPFEDSA-N -1 1 347.798 3.506 20 10 EHCDMM CN1CCCc2cc(CNCc3cc(C(=O)[O-])ccc3Cl)ccc21 ZINC001598603901 993610959 /nfs/dbraw/zinc/61/09/59/993610959.db2.gz VWSOPLQOZOYYBM-UHFFFAOYSA-N -1 1 344.842 3.710 20 10 EHCDMM COc1ccc(CCCC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890757495 1016368399 /nfs/dbraw/zinc/36/83/99/1016368399.db2.gz FZTMGNHNHWTESR-UHFFFAOYSA-N -1 1 333.815 3.693 20 10 EHCDMM CC(C)(C)OC1CC(CC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890759490 1016381975 /nfs/dbraw/zinc/38/19/75/1016381975.db2.gz LJOBNLMFKNPYNV-UHFFFAOYSA-N -1 1 325.836 3.646 20 10 EHCDMM CC(C)[C@@H]1C[C@@H](CC(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890759499 1016382874 /nfs/dbraw/zinc/38/28/74/1016382874.db2.gz LNZYGHOYKKXXEU-WFASDCNBSA-N -1 1 325.836 3.503 20 10 EHCDMM Cc1cnc(F)c(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c1 ZINC001211506237 1020289875 /nfs/dbraw/zinc/28/98/75/1020289875.db2.gz SDMFYGLBQFDVIS-UHFFFAOYSA-N -1 1 348.333 3.754 20 10 EHCDMM Oc1cccc(Br)c1C[N@@H+]1CCOc2ccccc2C1 ZINC000707141296 1021269194 /nfs/dbraw/zinc/26/91/94/1021269194.db2.gz YKRUSMLSWFQJBA-UHFFFAOYSA-N -1 1 334.213 3.549 20 10 EHCDMM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000176978647 1033926835 /nfs/dbraw/zinc/92/68/35/1033926835.db2.gz OVSHBZCLTLTZCE-UHFFFAOYSA-N -1 1 342.414 3.794 20 10 EHCDMM CCc1cnc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])s1 ZINC000177365968 1035063421 /nfs/dbraw/zinc/06/34/21/1035063421.db2.gz KJNSOZJXOFOWCZ-UHFFFAOYSA-N -1 1 338.860 3.899 20 10 EHCDMM COc1cccc2c1CC[C@H]2NC(=O)NCc1cccc(Cl)c1[O-] ZINC000893662439 1043770221 /nfs/dbraw/zinc/77/02/21/1043770221.db2.gz XJBWFGFKNGXBBY-OAHLLOKOSA-N -1 1 346.814 3.541 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc2ccccc2[nH]1 ZINC000765750530 1127765445 /nfs/dbraw/zinc/76/54/45/1127765445.db2.gz HSGNDOUJQRGWMC-UHFFFAOYSA-N -1 1 345.196 3.566 20 10 EHCDMM C[C@H]1CCCC[C@H]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765754780 1127798979 /nfs/dbraw/zinc/79/89/79/1127798979.db2.gz WOZJLTZYDVJFHH-RYUDHWBXSA-N -1 1 340.261 3.987 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(Cl)s1 ZINC000765766022 1128058379 /nfs/dbraw/zinc/05/83/79/1128058379.db2.gz URSNORNVXXULDI-UHFFFAOYSA-N -1 1 346.633 3.800 20 10 EHCDMM Cc1cccc([C@H](C)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765766029 1128058489 /nfs/dbraw/zinc/05/84/89/1128058489.db2.gz UWWOKVTWGFIPPQ-LBPRGKRZSA-N -1 1 348.240 3.883 20 10 EHCDMM CC(C)(C(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765770973 1128168576 /nfs/dbraw/zinc/16/85/76/1128168576.db2.gz UJRVSPXNOBNCPK-UHFFFAOYSA-N -1 1 348.240 3.749 20 10 EHCDMM Cn1ccc2cccc(NC(=O)NCc3cccc(Cl)c3[O-])c21 ZINC001670777643 1120232687 /nfs/dbraw/zinc/23/26/87/1120232687.db2.gz YXZWVQAGQCHWJP-UHFFFAOYSA-N -1 1 329.787 3.859 20 10 EHCDMM CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)c2nc(C)cc(=O)[nH]2)cc1 ZINC000790268491 1134391512 /nfs/dbraw/zinc/39/15/12/1134391512.db2.gz RARVOABBGOLREL-HNNXBMFYSA-N -1 1 328.460 3.530 20 10 EHCDMM CC[C@@H](NCc1n[nH]cc1Br)c1cccc(Cl)c1[O-] ZINC000806142289 1135400105 /nfs/dbraw/zinc/40/01/05/1135400105.db2.gz ZJUQJIBECCRDJO-LLVKDONJSA-N -1 1 344.640 3.772 20 10 EHCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1ccc(Cl)s1 ZINC000808115458 1135619474 /nfs/dbraw/zinc/61/94/74/1135619474.db2.gz FAKJUCQFKMJLBH-UHFFFAOYSA-N -1 1 342.200 3.700 20 10 EHCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2[C@H]2CCCO2)c1[O-] ZINC001198685309 1135847100 /nfs/dbraw/zinc/84/71/00/1135847100.db2.gz IVEITPHYZNVYJI-DLBZAZTESA-N -1 1 337.847 3.782 20 10 EHCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC=C(c3ccco3)C2)c1[O-] ZINC000809688250 1135871785 /nfs/dbraw/zinc/87/17/85/1135871785.db2.gz FWSOCJAPWNPKAJ-UHFFFAOYSA-N -1 1 334.759 3.836 20 10 EHCDMM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])c2ccccc2N(C)C1=O ZINC000809786102 1135891636 /nfs/dbraw/zinc/89/16/36/1135891636.db2.gz OVBIWKCOGGPZHF-LLVKDONJSA-N -1 1 348.805 3.804 20 10 EHCDMM [O-]c1c(F)cc(Cl)cc1CN1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811518086 1136098369 /nfs/dbraw/zinc/09/83/69/1136098369.db2.gz GJDUANFPMCOCMS-HOCLYGCPSA-N -1 1 325.811 3.718 20 10 EHCDMM Cc1c(NCc2cc(Cl)c(F)cc2[O-])cccc1N1CCNC1=O ZINC000816593742 1136739522 /nfs/dbraw/zinc/73/95/22/1136739522.db2.gz CKLHRFPTTKHGSG-UHFFFAOYSA-N -1 1 349.793 3.635 20 10 EHCDMM Cc1cc(=O)[nH]c(C(C)(C)NCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000862432774 1137144392 /nfs/dbraw/zinc/14/43/92/1137144392.db2.gz MNYNVLXVHGCKSB-UHFFFAOYSA-N -1 1 342.226 3.528 20 10 EHCDMM CC(C)Oc1ccccc1[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000825471970 1137178758 /nfs/dbraw/zinc/17/87/58/1137178758.db2.gz FXVZFGFNICJIGD-LLVKDONJSA-N -1 1 333.359 3.515 20 10 EHCDMM [O-]c1cc(F)c(Br)cc1CN1CC[C@H](C(F)(F)F)C1 ZINC001144306648 1137270766 /nfs/dbraw/zinc/27/07/66/1137270766.db2.gz KVFMTHZBEDNZLO-QMMMGPOBSA-N -1 1 342.130 3.678 20 10 EHCDMM CC(C)(C)NC(=O)c1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000883053746 1137842895 /nfs/dbraw/zinc/84/28/95/1137842895.db2.gz KAIOHWFFQZHXSZ-UHFFFAOYSA-N -1 1 334.366 3.811 20 10 EHCDMM C[C@H](N[C@@H]1c2ccccc2CC[C@H]1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883376109 1137857876 /nfs/dbraw/zinc/85/78/76/1137857876.db2.gz FKTJYEVXCDESSH-LIXBPZJASA-N -1 1 330.359 3.977 20 10 EHCDMM COc1cc(NCc2cc(F)cc(F)c2[O-])cc(OC)c1Cl ZINC001202769254 1139458964 /nfs/dbraw/zinc/45/89/64/1139458964.db2.gz SWULENDEIZPBRN-UHFFFAOYSA-N -1 1 329.730 3.953 20 10 EHCDMM Cc1cc([O-])c(C[NH2+][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(Cl)c1 ZINC001605213593 972958971 /nfs/dbraw/zinc/95/89/71/972958971.db2.gz XFLQNPFUOVWALR-KGYLQXTDSA-N -1 1 325.836 3.579 20 10 EHCDMM CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595748028 982416655 /nfs/dbraw/zinc/41/66/55/982416655.db2.gz PKNVVBVOVOWIDM-LBPRGKRZSA-N -1 1 334.441 3.910 20 10 EHCDMM CCCCN(Cc1ccccc1O)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001595748028 982416656 /nfs/dbraw/zinc/41/66/56/982416656.db2.gz PKNVVBVOVOWIDM-LBPRGKRZSA-N -1 1 334.441 3.910 20 10 EHCDMM CN(C)c1ccc(CN(CCC(=O)[O-])Cc2cccc(F)c2F)cc1 ZINC001598317899 991308420 /nfs/dbraw/zinc/30/84/20/991308420.db2.gz QWMDMCUBLVGJGA-UHFFFAOYSA-N -1 1 348.393 3.508 20 10 EHCDMM CC1=CCC[C@@H](C)[C@H]1C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001594113638 998228002 /nfs/dbraw/zinc/22/80/02/998228002.db2.gz OQHYMBKQOBYSFS-CJNGLKHVSA-N -1 1 337.847 3.925 20 10 EHCDMM CC1=CCC[C@@H](C)[C@H]1C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001594113638 998228015 /nfs/dbraw/zinc/22/80/15/998228015.db2.gz OQHYMBKQOBYSFS-CJNGLKHVSA-N -1 1 337.847 3.925 20 10 EHCDMM CC(C)O[C@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC000890759892 1016381891 /nfs/dbraw/zinc/38/18/91/1016381891.db2.gz UULUJGSLOOAFJY-KRWDZBQOSA-N -1 1 333.815 3.828 20 10 EHCDMM O=C1[N-]C(=S)S/C1=C\c1cc(Br)ccc1Cl ZINC000178296264 1017347434 /nfs/dbraw/zinc/34/74/34/1017347434.db2.gz FKVUSRWIRFGUSO-YWEYNIOJSA-N -1 1 334.647 3.591 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCCC(F)(F)C1 ZINC000894613699 1022617937 /nfs/dbraw/zinc/61/79/37/1022617937.db2.gz PZANZPNQWKBTIB-SNVBAGLBSA-N -1 1 332.778 3.670 20 10 EHCDMM C[C@]1(CCNC(=O)NCc2cccc(Cl)c2[O-])C[C@@]1(F)Cl ZINC000895547470 1024591019 /nfs/dbraw/zinc/59/10/19/1024591019.db2.gz ABBALBGIPHFUJS-KBPBESRZSA-N -1 1 335.206 3.550 20 10 EHCDMM Cc1cc(NCc2cccc(Br)c2[O-])ccc1[N+](=O)[O-] ZINC000043570131 1025753629 /nfs/dbraw/zinc/75/36/29/1025753629.db2.gz MKGFUDYMUSIBGP-UHFFFAOYSA-N -1 1 337.173 3.983 20 10 EHCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000764756385 1127528772 /nfs/dbraw/zinc/52/87/72/1127528772.db2.gz BHHSLBSKMJNNRP-NSHDSACASA-N -1 1 349.228 3.715 20 10 EHCDMM [O-]c1c(Br)cccc1CNc1ccc(C(F)(F)F)nn1 ZINC000764935493 1127556056 /nfs/dbraw/zinc/55/60/56/1127556056.db2.gz VISATVCGJMTPIP-UHFFFAOYSA-N -1 1 348.122 3.576 20 10 EHCDMM Cn1c(=O)ccc2ccc(NCc3cc(Cl)cc(F)c3[O-])cc21 ZINC000787297239 1133985257 /nfs/dbraw/zinc/98/52/57/1133985257.db2.gz VCJIUFULTKFHMY-UHFFFAOYSA-N -1 1 332.762 3.649 20 10 EHCDMM COc1c([O-])c(CN2CC[C@@H]2c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000774910530 1134117056 /nfs/dbraw/zinc/11/70/56/1134117056.db2.gz YCPBBQIKGMBPMM-CQSZACIVSA-N -1 1 348.786 3.909 20 10 EHCDMM O=C(CNc1ccc(-c2cccs2)nc1)c1ccc([O-])c(O)c1 ZINC001170320788 1134746745 /nfs/dbraw/zinc/74/67/45/1134746745.db2.gz NRQMXCDKKFBMKV-UHFFFAOYSA-N -1 1 326.377 3.516 20 10 EHCDMM Cc1cc(NCC(=O)c2ccc([O-])c(O)c2)ccc1OC(F)(F)F ZINC001170321746 1134747323 /nfs/dbraw/zinc/74/73/23/1134747323.db2.gz FKSISXXJIYZVOJ-UHFFFAOYSA-N -1 1 341.285 3.600 20 10 EHCDMM CC[C@@H](Nc1ccc(N2CCOCC2)cn1)c1cccc(Cl)c1[O-] ZINC000806152815 1135402430 /nfs/dbraw/zinc/40/24/30/1135402430.db2.gz UZRILQZEBYSAPM-MRXNPFEDSA-N -1 1 347.846 3.840 20 10 EHCDMM CNC(=O)Nc1cc(NCc2cc(Cl)cc(F)c2[O-])ccc1F ZINC000809699337 1135868867 /nfs/dbraw/zinc/86/88/67/1135868867.db2.gz QKIANQBIAHTGMR-UHFFFAOYSA-N -1 1 341.745 3.687 20 10 EHCDMM COc1ccccc1CN(Cc1cc(Cl)cc(C(C)=O)c1[O-])OC ZINC000810106768 1135921982 /nfs/dbraw/zinc/92/19/82/1135921982.db2.gz WKBLZWPKFUYMAA-UHFFFAOYSA-N -1 1 349.814 3.820 20 10 EHCDMM CC(C=C1SC(=S)[N-]C1=O)=Cc1ccccc1OC(F)F ZINC000811685655 1136121713 /nfs/dbraw/zinc/12/17/13/1136121713.db2.gz YRPMTJWKFNIAEK-JMFBPXTISA-N -1 1 327.377 3.723 20 10 EHCDMM CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC000830184448 1136302436 /nfs/dbraw/zinc/30/24/36/1136302436.db2.gz GKTBOICYQKFRMU-UHFFFAOYSA-N -1 1 341.379 3.769 20 10 EHCDMM O=C1CCCN1Cc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816522456 1136732838 /nfs/dbraw/zinc/73/28/38/1136732838.db2.gz ACKOMQLAOYYXIX-UHFFFAOYSA-N -1 1 348.805 3.919 20 10 EHCDMM CC(=O)N1CCCN(Cc2cc(Cl)c(F)cc2[O-])c2ccccc21 ZINC000816613525 1136741993 /nfs/dbraw/zinc/74/19/93/1136741993.db2.gz XPWQFNBVDGTCKA-UHFFFAOYSA-N -1 1 348.805 3.948 20 10 EHCDMM CN(Cc1ccc(N2CCCC2)cc1)Cc1c(F)cc([O-])cc1F ZINC001144554899 1137308731 /nfs/dbraw/zinc/30/87/31/1137308731.db2.gz LKGRDWCERBPRFM-UHFFFAOYSA-N -1 1 332.394 3.903 20 10 EHCDMM CCCN(Cc1ccccc1O)C(=O)NCc1ccc([O-])c(Cl)c1 ZINC000876393509 1137650631 /nfs/dbraw/zinc/65/06/31/1137650631.db2.gz IPKICFYPVDMDQJ-UHFFFAOYSA-N -1 1 348.830 3.873 20 10 EHCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000883035089 1137842361 /nfs/dbraw/zinc/84/23/61/1137842361.db2.gz QPKQFVKITAJWJC-ZWKOTPCHSA-N -1 1 349.377 3.965 20 10 EHCDMM O=C1CCCCN1Cc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000883059436 1137843059 /nfs/dbraw/zinc/84/30/59/1137843059.db2.gz WZXYDNHRDSFXRJ-UHFFFAOYSA-N -1 1 346.377 3.795 20 10 EHCDMM C[C@@H]1CN(c2ccc(NCc3cc(F)cc(F)c3[O-])cc2)C[C@H](C)O1 ZINC000883059106 1137843132 /nfs/dbraw/zinc/84/31/32/1137843132.db2.gz MAMXTWRMTHOJNL-BETUJISGSA-N -1 1 348.393 3.896 20 10 EHCDMM C[C@]1(C(=O)[O-])CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000828029047 601893704 /nfs/dbraw/zinc/89/37/04/601893704.db2.gz OBLOLCJVDUTHKR-IBGZPJMESA-N -1 1 325.364 3.588 20 10 EHCDMM C[C@]1(C(=O)[O-])CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000828029047 601893707 /nfs/dbraw/zinc/89/37/07/601893707.db2.gz OBLOLCJVDUTHKR-IBGZPJMESA-N -1 1 325.364 3.588 20 10 EHCDMM O=C([O-])N1CCC([N@H+](Cc2c([O-])ccc3ccccc32)C2CC2)CC1 ZINC000740501097 601912796 /nfs/dbraw/zinc/91/27/96/601912796.db2.gz UPVQMUIEDPVACO-UHFFFAOYSA-N -1 1 340.423 3.652 20 10 EHCDMM O=C([O-])N1CCC([N@@H+](Cc2c([O-])ccc3ccccc32)C2CC2)CC1 ZINC000740501097 601912798 /nfs/dbraw/zinc/91/27/98/601912798.db2.gz UPVQMUIEDPVACO-UHFFFAOYSA-N -1 1 340.423 3.652 20 10 EHCDMM O=C([O-])c1ccc(CN(Cc2ccco2)Cc2ccccc2O)s1 ZINC000833313965 601954658 /nfs/dbraw/zinc/95/46/58/601954658.db2.gz DHZQEYVEIRGHTK-UHFFFAOYSA-N -1 1 343.404 3.947 20 10 EHCDMM CC[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1nc(C)cs1 ZINC000892841969 1017564735 /nfs/dbraw/zinc/56/47/35/1017564735.db2.gz ZOFYOUHBOWZJMN-LBPRGKRZSA-N -1 1 339.848 3.761 20 10 EHCDMM CC[C@@]1(C(=O)[O-])CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000086784813 1019278553 /nfs/dbraw/zinc/27/85/53/1019278553.db2.gz HRUYWLCIQZUVAE-OAHLLOKOSA-N -1 1 332.227 3.776 20 10 EHCDMM C[C@@H](c1cccnc1)[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894448308 1022296488 /nfs/dbraw/zinc/29/64/88/1022296488.db2.gz FMKGTWVLSZTCKV-JTQLQIEISA-N -1 1 339.208 3.882 20 10 EHCDMM CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)c1O ZINC000160143768 1030557486 /nfs/dbraw/zinc/55/74/86/1030557486.db2.gz BQMZBCSXOFHRGR-GOSISDBHSA-N -1 1 328.387 3.774 20 10 EHCDMM CC(C)C(NC(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000765537401 1127650634 /nfs/dbraw/zinc/65/06/34/1127650634.db2.gz UMTTWDMKBNBWLY-UHFFFAOYSA-N -1 1 343.265 3.635 20 10 EHCDMM C[C@H]1CCC[C@H](CC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765764430 1127990681 /nfs/dbraw/zinc/99/06/81/1127990681.db2.gz JYZGIRGMAHXOND-RYUDHWBXSA-N -1 1 340.261 3.987 20 10 EHCDMM C[N@H+](CCC1CC1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000746628493 1133942067 /nfs/dbraw/zinc/94/20/67/1133942067.db2.gz VVQZIUPRZCGUIO-UHFFFAOYSA-N -1 1 325.408 3.561 20 10 EHCDMM C[N@@H+](CCC1CC1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000746628493 1133942071 /nfs/dbraw/zinc/94/20/71/1133942071.db2.gz VVQZIUPRZCGUIO-UHFFFAOYSA-N -1 1 325.408 3.561 20 10 EHCDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(O)c2ccccc12 ZINC001185824857 1134142269 /nfs/dbraw/zinc/14/22/69/1134142269.db2.gz VJPBNQUWZUKWNO-UHFFFAOYSA-N -1 1 331.368 3.794 20 10 EHCDMM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1c([O-])c(O)ccc1F ZINC000789938816 1134349629 /nfs/dbraw/zinc/34/96/29/1134349629.db2.gz FIXFEOXCVFYMDE-UHFFFAOYSA-N -1 1 344.169 3.816 20 10 EHCDMM CC[C@@H](N[C@@H](C)c1nncn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775498698 1134964736 /nfs/dbraw/zinc/96/47/36/1134964736.db2.gz NHQSXVJBKRAQMJ-GZMMTYOYSA-N -1 1 329.231 3.629 20 10 EHCDMM O=C(NCCc1c(F)cccc1Cl)c1ccc(O)c([O-])c1Cl ZINC001193210147 1135114769 /nfs/dbraw/zinc/11/47/69/1135114769.db2.gz VDCREWSGPVEKEN-UHFFFAOYSA-N -1 1 344.169 3.516 20 10 EHCDMM O=C(Nc1ccc(OCC2CCC2)nc1)c1ccc(O)c([O-])c1Cl ZINC001193208864 1135114894 /nfs/dbraw/zinc/11/48/94/1135114894.db2.gz ATWXZXRQHKAFGU-UHFFFAOYSA-N -1 1 348.786 3.577 20 10 EHCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H]2c2cccnc2)c1[O-] ZINC000809729452 1135872787 /nfs/dbraw/zinc/87/27/87/1135872787.db2.gz SWJMPOQUSSAAIR-AWEZNQCLSA-N -1 1 333.775 3.686 20 10 EHCDMM COCCOc1ccc(F)cc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816526082 1136733662 /nfs/dbraw/zinc/73/36/62/1136733662.db2.gz STYYZUQWEXUZIB-UHFFFAOYSA-N -1 1 343.757 3.961 20 10 EHCDMM CC(=O)N1CCc2c1cccc2NCc1cc(Cl)c(F)cc1[O-] ZINC000816570980 1136738713 /nfs/dbraw/zinc/73/87/13/1136738713.db2.gz NOMDOGDUFSPCGZ-UHFFFAOYSA-N -1 1 334.778 3.706 20 10 EHCDMM O=C(CSc1ncc(-c2ccc(F)cc2)o1)c1ccc([O-])c(O)c1 ZINC000010714950 1136747218 /nfs/dbraw/zinc/74/72/18/1136747218.db2.gz QKWPCGXKKFHLER-UHFFFAOYSA-N -1 1 345.351 3.867 20 10 EHCDMM C[C@@H]1CCCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000819513163 1136949705 /nfs/dbraw/zinc/94/97/05/1136949705.db2.gz BCXDSQABJDSCDG-PWSUYJOCSA-N -1 1 326.234 3.597 20 10 EHCDMM C[C@H](C(=O)[O-])[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC000864510628 1137231134 /nfs/dbraw/zinc/23/11/34/1137231134.db2.gz YDOACJDHYJSGAK-SGTLLEGYSA-N -1 1 348.393 3.582 20 10 EHCDMM C[C@H](NC(=O)Cc1ccc([O-])c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000867504049 1137380049 /nfs/dbraw/zinc/38/00/49/1137380049.db2.gz RMUZJPMSOOQEPO-LBPRGKRZSA-N -1 1 332.831 3.532 20 10 EHCDMM CC(C)COC[C@H](NCc1ccc(F)c(F)c1[O-])c1ccco1 ZINC000876994892 1137667334 /nfs/dbraw/zinc/66/73/34/1137667334.db2.gz RWQRLWZALYMSSB-AWEZNQCLSA-N -1 1 325.355 3.767 20 10 EHCDMM Cc1ccc(NC(=O)C2CC2)cc1NCc1cc(F)cc(F)c1[O-] ZINC000882906093 1137837327 /nfs/dbraw/zinc/83/73/27/1137837327.db2.gz LHLDTRFRJXUYEI-UHFFFAOYSA-N -1 1 332.350 3.939 20 10 EHCDMM C[C@@H](NCc1ncc(Br)s1)c1c([O-])cccc1F ZINC000886648471 1138106712 /nfs/dbraw/zinc/10/67/12/1138106712.db2.gz UUHKMIRXCFAHHW-SSDOTTSWSA-N -1 1 331.210 3.601 20 10 EHCDMM Cc1ccccc1NC1=NC(=O)C(=Cc2ccc([O-])c(F)c2)S1 ZINC000140609474 1138258419 /nfs/dbraw/zinc/25/84/19/1138258419.db2.gz SOSZGECNJCGYTG-OQLLNIDSSA-N -1 1 328.368 3.922 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])C1(Cc2ccccc2F)CC1 ZINC000890759140 1016381853 /nfs/dbraw/zinc/38/18/53/1016381853.db2.gz DMYOTQZRCQMPQP-UHFFFAOYSA-N -1 1 333.790 3.824 20 10 EHCDMM CCC(CC)n1nc(C)cc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760809 1016387596 /nfs/dbraw/zinc/38/75/96/1016387596.db2.gz ZMKZISQXHDBSPI-UHFFFAOYSA-N -1 1 335.835 3.842 20 10 EHCDMM CC(C)(CNC(=O)NCc1cccc(Cl)c1[O-])CC(F)(F)F ZINC000895914560 1024972300 /nfs/dbraw/zinc/97/23/00/1024972300.db2.gz NBMBMZMXQUFEFR-UHFFFAOYSA-N -1 1 338.757 3.823 20 10 EHCDMM COc1cc(NCc2cccc(Br)c2[O-])cc(OC)c1 ZINC000048794719 1026267928 /nfs/dbraw/zinc/26/79/28/1026267928.db2.gz MIRFTPFLKDUWBK-UHFFFAOYSA-N -1 1 338.201 3.784 20 10 EHCDMM COc1cc(F)ccc1NCc1cccc(Br)c1[O-] ZINC000049564391 1026506113 /nfs/dbraw/zinc/50/61/13/1026506113.db2.gz AYEYYLVWSFWLBX-UHFFFAOYSA-N -1 1 326.165 3.915 20 10 EHCDMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])c1ccsc1 ZINC000765727362 1127744400 /nfs/dbraw/zinc/74/44/00/1127744400.db2.gz MXFQCRQQTDASOF-SECBINFHSA-N -1 1 340.242 3.636 20 10 EHCDMM Cc1c(C)c(C)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)c1C ZINC000916617617 1122219020 /nfs/dbraw/zinc/21/90/20/1122219020.db2.gz OGDOPTBHLCEAGM-UHFFFAOYSA-N -1 1 342.391 3.680 20 10 EHCDMM CC[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])CC1CC1 ZINC000732662866 1130946517 /nfs/dbraw/zinc/94/65/17/1130946517.db2.gz AYQZAXSRWWGWTL-UHFFFAOYSA-N -1 1 325.408 3.561 20 10 EHCDMM CC[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])CC1CC1 ZINC000732662866 1130946522 /nfs/dbraw/zinc/94/65/22/1130946522.db2.gz AYQZAXSRWWGWTL-UHFFFAOYSA-N -1 1 325.408 3.561 20 10 EHCDMM Cc1cc(C=C2SC(=O)[N-]C2=O)c(C)n1-c1ccc2c(c1)CCC2 ZINC000744858798 1132158819 /nfs/dbraw/zinc/15/88/19/1132158819.db2.gz FNXRFNIHQWXBMW-LICLKQGHSA-N -1 1 338.432 3.907 20 10 EHCDMM Cc1ccc(N[C@H](C)c2cc(F)cc(F)c2[O-])cc1N1CCNC1=O ZINC000786978533 1133935224 /nfs/dbraw/zinc/93/52/24/1133935224.db2.gz DARCLDOZBZPOFL-LLVKDONJSA-N -1 1 347.365 3.682 20 10 EHCDMM Cc1c(NCc2cc(Cl)cc(F)c2[O-])cccc1N1CCNC1=O ZINC000787311468 1133994607 /nfs/dbraw/zinc/99/46/07/1133994607.db2.gz DBCMZTUOKZZLCM-UHFFFAOYSA-N -1 1 349.793 3.635 20 10 EHCDMM O=C(CNc1cc(F)c(F)c(C(F)F)c1)c1ccc([O-])c(O)c1 ZINC001170320665 1134746475 /nfs/dbraw/zinc/74/64/75/1134746475.db2.gz HZMXUWWDVXRPBW-UHFFFAOYSA-N -1 1 329.249 3.608 20 10 EHCDMM O=C(CNc1cnc(F)c(-c2ccccc2)c1)c1ccc([O-])c(O)c1 ZINC001170320493 1134746966 /nfs/dbraw/zinc/74/69/66/1134746966.db2.gz DDQYOLXLTMUWGP-UHFFFAOYSA-N -1 1 338.338 3.594 20 10 EHCDMM C[C@@H](NC(=O)c1ccc(O)c([O-])c1Cl)c1cc(F)cc(F)c1 ZINC001193236644 1135117374 /nfs/dbraw/zinc/11/73/74/1135117374.db2.gz KXXBJXWTXHKQJC-SSDOTTSWSA-N -1 1 327.714 3.520 20 10 EHCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC[C@@H](Cc2ccccc2)C1 ZINC001193225731 1135119809 /nfs/dbraw/zinc/11/98/09/1135119809.db2.gz RIEHCTPQBBESNW-AWEZNQCLSA-N -1 1 345.826 3.846 20 10 EHCDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(F)c2)c2ccccc12 ZINC001193856266 1135195881 /nfs/dbraw/zinc/19/58/81/1135195881.db2.gz CUNMFSYTMYSIHV-UHFFFAOYSA-N -1 1 331.368 3.794 20 10 EHCDMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(O)cc1C(F)(F)F ZINC001194643809 1135296202 /nfs/dbraw/zinc/29/62/02/1135296202.db2.gz NVIJLFDYGSUZGT-UHFFFAOYSA-N -1 1 345.342 3.829 20 10 EHCDMM Cc1noc(COc2ccc(NCc3cccc(Cl)c3[O-])cc2)n1 ZINC000775756739 1135648136 /nfs/dbraw/zinc/64/81/36/1135648136.db2.gz QHYMZICRLBWMMC-UHFFFAOYSA-N -1 1 345.786 3.928 20 10 EHCDMM CC(C)c1ccc(C(=O)NCc2cccc(Br)c2[O-])nc1 ZINC000811460163 1136089708 /nfs/dbraw/zinc/08/97/08/1136089708.db2.gz ZDKPXPGZAYXBSH-UHFFFAOYSA-N -1 1 349.228 3.603 20 10 EHCDMM Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1N1CCNC1=O ZINC000816593888 1136735087 /nfs/dbraw/zinc/73/50/87/1136735087.db2.gz HUOIJVZFWZPSSB-UHFFFAOYSA-N -1 1 349.793 3.635 20 10 EHCDMM CC1(C)N[C@H](c2cc(Cl)ccc2[O-])N(CC2CCCCC2)C1=O ZINC000877857417 1137693703 /nfs/dbraw/zinc/69/37/03/1137693703.db2.gz QVMRBXKCGOVSHO-INIZCTEOSA-N -1 1 336.863 3.835 20 10 EHCDMM C[C@@H]1CN(c2ccccc2NCc2cc(F)cc(F)c2[O-])C[C@@H](C)O1 ZINC000882905971 1137837444 /nfs/dbraw/zinc/83/74/44/1137837444.db2.gz BZRGGIHGGUUPRX-CHWSQXEVSA-N -1 1 348.393 3.896 20 10 EHCDMM C[C@@H](C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC001592592894 978522771 /nfs/dbraw/zinc/52/27/71/978522771.db2.gz TZTYMAOIAPJLIS-ZDUSSCGKSA-N -1 1 333.815 3.736 20 10 EHCDMM C[C@@H](C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-])c1ccccc1 ZINC001592592894 978522778 /nfs/dbraw/zinc/52/27/78/978522778.db2.gz TZTYMAOIAPJLIS-ZDUSSCGKSA-N -1 1 333.815 3.736 20 10 EHCDMM C[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])CC1CCCC1 ZINC000728199010 1014948307 /nfs/dbraw/zinc/94/83/07/1014948307.db2.gz REFBCOWQCZOYIX-UHFFFAOYSA-N -1 1 339.435 3.951 20 10 EHCDMM CC(C)N(Cc1ccc(N(C)C)cc1)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001591596885 992826378 /nfs/dbraw/zinc/82/63/78/992826378.db2.gz SVPVOSIWSQONTM-ZDUSSCGKSA-N -1 1 347.484 3.879 20 10 EHCDMM [O-]c1cc(F)c(F)cc1CN(Cc1cccnc1)Cc1cccnc1 ZINC001142520163 1033189243 /nfs/dbraw/zinc/18/92/43/1033189243.db2.gz CIDOKDXABGPVDA-UHFFFAOYSA-N -1 1 341.361 3.663 20 10 EHCDMM C[C@@H](CCCc1cccnc1)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000895296122 1024243466 /nfs/dbraw/zinc/24/34/66/1024243466.db2.gz YECJSYYKQAONLK-ZDUSSCGKSA-N -1 1 347.846 3.651 20 10 EHCDMM [O-]c1cc(F)c(F)cc1CN1CCn2c(-c3ccccc3)cnc2C1 ZINC001142530324 1033327374 /nfs/dbraw/zinc/32/73/74/1033327374.db2.gz DFQZEFHLKDRYGO-UHFFFAOYSA-N -1 1 341.361 3.550 20 10 EHCDMM O=C(CSc1nc(-c2ccc(F)cc2)c[nH]1)c1ccc([O-])c(O)c1 ZINC000061142919 1033738519 /nfs/dbraw/zinc/73/85/19/1033738519.db2.gz NFIYXKYFGXSBSB-UHFFFAOYSA-N -1 1 344.367 3.602 20 10 EHCDMM CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2ccccc2c1[O-] ZINC000175425408 1036357476 /nfs/dbraw/zinc/35/74/76/1036357476.db2.gz VGCJXRVCUVQEQJ-UHFFFAOYSA-N -1 1 348.402 3.651 20 10 EHCDMM C[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764758835 1127529918 /nfs/dbraw/zinc/52/99/18/1127529918.db2.gz VOJQCDZUSMAMGX-ZWNOBZJWSA-N -1 1 341.249 3.533 20 10 EHCDMM CC(C)CC[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000765446482 1127612651 /nfs/dbraw/zinc/61/26/51/1127612651.db2.gz OSJBQRDBNAMNHR-NSHDSACASA-N -1 1 343.265 3.779 20 10 EHCDMM CCC(CC)[C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765727030 1127744603 /nfs/dbraw/zinc/74/46/03/1127744603.db2.gz JRAPKBJBWKSACS-SNVBAGLBSA-N -1 1 328.250 3.843 20 10 EHCDMM C[C@H](Cc1ccccc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765727461 1127746355 /nfs/dbraw/zinc/74/63/55/1127746355.db2.gz AGMJKVRSOIEZSS-GFCCVEGCSA-N -1 1 348.240 3.650 20 10 EHCDMM C[C@@H]1CC[C@@H](CC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765731195 1127749011 /nfs/dbraw/zinc/74/90/11/1127749011.db2.gz ZGHLNLXJORPICW-GHMZBOCLSA-N -1 1 326.234 3.597 20 10 EHCDMM C[C@H](CC(C)(C)C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765731035 1127749041 /nfs/dbraw/zinc/74/90/41/1127749041.db2.gz FSXDTBQYVKDRGA-SNVBAGLBSA-N -1 1 328.250 3.843 20 10 EHCDMM CC(C)CC1(C(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000765756882 1127889804 /nfs/dbraw/zinc/88/98/04/1127889804.db2.gz NXCLWRDWOOVPIS-UHFFFAOYSA-N -1 1 340.261 3.987 20 10 EHCDMM C[C@@H]1CC(C(=O)NCc2cccc(Br)c2[O-])C[C@@H](C)C1 ZINC000765765109 1128010657 /nfs/dbraw/zinc/01/06/57/1128010657.db2.gz NJKSQFLMBXFMEQ-QWRGUYRKSA-N -1 1 340.261 3.843 20 10 EHCDMM CCN1C(=O)c2ccccc2N[C@H]1c1cccc(Br)c1[O-] ZINC000054682244 1128482614 /nfs/dbraw/zinc/48/26/14/1128482614.db2.gz ZLEFIFXSESKCJI-OAHLLOKOSA-N -1 1 347.212 3.741 20 10 EHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@H](C3CC3)C2)c1[O-] ZINC000763332939 1121962254 /nfs/dbraw/zinc/96/22/54/1121962254.db2.gz QFLWDUVKUUKWJI-INIZCTEOSA-N -1 1 337.419 3.561 20 10 EHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@H](C3CC3)C2)c1[O-] ZINC000763332939 1121962259 /nfs/dbraw/zinc/96/22/59/1121962259.db2.gz QFLWDUVKUUKWJI-INIZCTEOSA-N -1 1 337.419 3.561 20 10 EHCDMM Cc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cn1 ZINC001174284632 1132298530 /nfs/dbraw/zinc/29/85/30/1132298530.db2.gz QISHZTJCPHMSBQ-UHFFFAOYSA-N -1 1 330.343 3.615 20 10 EHCDMM COc1cc2c(cc1N[C@@H](C)c1cc(F)cc(F)c1[O-])NC(=O)CC2 ZINC000768264592 1133119012 /nfs/dbraw/zinc/11/90/12/1133119012.db2.gz LHDKFLAFERCYEX-VIFPVBQESA-N -1 1 348.349 3.737 20 10 EHCDMM Cc1cc(NCc2cc(Cl)cc(F)c2[O-])ccc1C(=O)N(C)C ZINC000775117187 1134332909 /nfs/dbraw/zinc/33/29/09/1134332909.db2.gz AEPKALNJGVFTSU-UHFFFAOYSA-N -1 1 336.794 3.807 20 10 EHCDMM COc1cccc(Cl)c1CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000790697437 1134454523 /nfs/dbraw/zinc/45/45/23/1134454523.db2.gz KWUZPAAMYHVBME-SNVBAGLBSA-N -1 1 336.775 3.813 20 10 EHCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CC[C@@H](c2ccccc2F)C1 ZINC001193224881 1135115863 /nfs/dbraw/zinc/11/58/63/1135115863.db2.gz DMOJRRRCHZFWII-SNVBAGLBSA-N -1 1 335.762 3.520 20 10 EHCDMM O=C(Nc1cc(F)cc2cccnc21)c1ccc(O)c([O-])c1Cl ZINC001193230222 1135120068 /nfs/dbraw/zinc/12/00/68/1135120068.db2.gz RJVWLOKQRKSAIE-UHFFFAOYSA-N -1 1 332.718 3.691 20 10 EHCDMM COc1cc(F)c(NCc2cc(Cl)c(F)cc2[O-])cc1OC ZINC000816523766 1136733776 /nfs/dbraw/zinc/73/37/76/1136733776.db2.gz CXLNJXMKCDOXNE-UHFFFAOYSA-N -1 1 329.730 3.953 20 10 EHCDMM CCN(CC)c1ccc(CNC(=O)c2ncc3ccccc3c2[O-])cc1 ZINC001136300440 1136975241 /nfs/dbraw/zinc/97/52/41/1136975241.db2.gz QVFHOBSQRXWHCF-UHFFFAOYSA-N -1 1 349.434 3.717 20 10 EHCDMM COCCOCc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000862532316 1137148422 /nfs/dbraw/zinc/14/84/22/1137148422.db2.gz WSRHMTPLANMIMB-UHFFFAOYSA-N -1 1 339.794 3.960 20 10 EHCDMM [O-]c1c(F)cc(F)cc1CNc1cccc(OC[C@H]2CCCO2)c1 ZINC000883001143 1137841247 /nfs/dbraw/zinc/84/12/47/1137841247.db2.gz VZACSTBWMGVESO-MRXNPFEDSA-N -1 1 335.350 3.840 20 10 EHCDMM C[C@@H]1CN(c2ccc(NCc3cc(F)cc(F)c3[O-])cc2)CCO1 ZINC000883067655 1137843319 /nfs/dbraw/zinc/84/33/19/1137843319.db2.gz PMDKQHDJNRXNRS-GFCCVEGCSA-N -1 1 334.366 3.508 20 10 EHCDMM O=[N+]([O-])c1cccc(F)c1NCc1cccc(Br)c1[O-] ZINC000132485804 1137866714 /nfs/dbraw/zinc/86/67/14/1137866714.db2.gz SAWYWDMNNNSQGL-UHFFFAOYSA-N -1 1 341.136 3.814 20 10 EHCDMM O=C1CCC[C@H](c2cccc(NCc3cc(F)cc(F)c3[O-])c2)N1 ZINC000886371647 1138071524 /nfs/dbraw/zinc/07/15/24/1138071524.db2.gz QMETVDISGWRKAG-MRXNPFEDSA-N -1 1 332.350 3.624 20 10 EHCDMM CC(C)[N@@H+](CCC(=O)[O-])Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000736469110 600608874 /nfs/dbraw/zinc/60/88/74/600608874.db2.gz ZSBHACZPULUWDR-UHFFFAOYSA-N -1 1 331.412 3.702 20 10 EHCDMM CCN(CC)c1ccc(CNCc2ccc(C(=O)[O-])cc2F)cc1 ZINC001596287986 983707276 /nfs/dbraw/zinc/70/72/76/983707276.db2.gz CKKQYNYPCNEPMH-UHFFFAOYSA-N -1 1 330.403 3.660 20 10 EHCDMM CC(C)Oc1ccccc1CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890757387 1016366594 /nfs/dbraw/zinc/36/65/94/1016366594.db2.gz CFBDFYWNIGOZHL-UHFFFAOYSA-N -1 1 333.815 3.692 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000896563389 1025607051 /nfs/dbraw/zinc/60/70/51/1025607051.db2.gz ITZZCKLJGMUWCH-VGPLMAKISA-N -1 1 340.876 3.519 20 10 EHCDMM COc1ccc(O)c([C@H](C)NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000729535115 1025954895 /nfs/dbraw/zinc/95/48/95/1025954895.db2.gz KIVJRJNZUFVBMY-LBPRGKRZSA-N -1 1 337.375 3.751 20 10 EHCDMM [O-]c1c(Br)cccc1CNc1cccc(-n2ccnc2)c1 ZINC000048795869 1026267989 /nfs/dbraw/zinc/26/79/89/1026267989.db2.gz DFHPKFRRTJVEDE-UHFFFAOYSA-N -1 1 344.212 3.953 20 10 EHCDMM Cn1cnnc1-c1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000190831352 1036281985 /nfs/dbraw/zinc/28/19/85/1036281985.db2.gz AEZFPDHIOHXEDR-UHFFFAOYSA-N -1 1 332.766 3.592 20 10 EHCDMM CCc1nn(C)cc1N[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756874490 1042788421 /nfs/dbraw/zinc/78/84/21/1042788421.db2.gz PTFOGIWGYGMSPX-QMMMGPOBSA-N -1 1 342.212 3.763 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccccc1F ZINC000765211213 1127585202 /nfs/dbraw/zinc/58/52/02/1127585202.db2.gz NOJCHSNEURALGK-UHFFFAOYSA-N -1 1 339.164 3.616 20 10 EHCDMM Cc1oc(C)c(C(=O)NCc2cccc(Br)c2[O-])c1C ZINC000765727740 1127745546 /nfs/dbraw/zinc/74/55/46/1127745546.db2.gz OQXSPTJZMFSVKA-UHFFFAOYSA-N -1 1 338.201 3.603 20 10 EHCDMM CCCCSCCC(=O)NCc1cccc(Br)c1[O-] ZINC000765736581 1127757148 /nfs/dbraw/zinc/75/71/48/1127757148.db2.gz PDDXCOOSQKXMLJ-UHFFFAOYSA-N -1 1 346.290 3.694 20 10 EHCDMM CC1CCC(=CC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000765750835 1127765161 /nfs/dbraw/zinc/76/51/61/1127765161.db2.gz LZMHBVQDGAQSFB-UHFFFAOYSA-N -1 1 338.245 3.907 20 10 EHCDMM C/C(=C/C(=O)NCc1cccc(Br)c1[O-])C(C)(C)C ZINC000765770247 1128166450 /nfs/dbraw/zinc/16/64/50/1128166450.db2.gz NALMACMSHFZIJI-NTMALXAHSA-N -1 1 326.234 3.763 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])C(F)(F)c1cc(F)cc(F)c1 ZINC001180419949 1133373208 /nfs/dbraw/zinc/37/32/08/1133373208.db2.gz GPXHPJZUJADSMW-UHFFFAOYSA-N -1 1 347.695 3.732 20 10 EHCDMM O=C([N-]Cc1cccc(Cl)c1O)C(F)(F)c1cc(F)cc(F)c1 ZINC001180419949 1133373213 /nfs/dbraw/zinc/37/32/13/1133373213.db2.gz GPXHPJZUJADSMW-UHFFFAOYSA-N -1 1 347.695 3.732 20 10 EHCDMM O=C1CCN1c1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000790486192 1134424393 /nfs/dbraw/zinc/42/43/93/1134424393.db2.gz NPVKAEYKPMALGJ-UHFFFAOYSA-N -1 1 347.212 3.504 20 10 EHCDMM CC[C@H](Nc1ccc(N2CCOCC2)cn1)c1cccc(Cl)c1[O-] ZINC000806152814 1135402438 /nfs/dbraw/zinc/40/24/38/1135402438.db2.gz UZRILQZEBYSAPM-INIZCTEOSA-N -1 1 347.846 3.840 20 10 EHCDMM Cc1nc2sccn2c1CN(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000775679173 1135503803 /nfs/dbraw/zinc/50/38/03/1135503803.db2.gz POUQCFIUUZSMQO-UHFFFAOYSA-N -1 1 339.823 3.834 20 10 EHCDMM CCCc1nsc(NCc2cccc(Br)c2[O-])n1 ZINC000812474082 1136212662 /nfs/dbraw/zinc/21/26/62/1136212662.db2.gz SFMPXYOHTPKTTQ-UHFFFAOYSA-N -1 1 328.235 3.571 20 10 EHCDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1F ZINC000111995265 1136595387 /nfs/dbraw/zinc/59/53/87/1136595387.db2.gz VJGCXKYZVJMWJK-UHFFFAOYSA-N -1 1 334.416 3.535 20 10 EHCDMM O=S(=O)([N-]c1ccc(O)cc1)c1ccc(Cl)c2ccccc21 ZINC000776744695 1136620956 /nfs/dbraw/zinc/62/09/56/1136620956.db2.gz NCPRYXLHHGXNKN-UHFFFAOYSA-N -1 1 333.796 4.000 20 10 EHCDMM Cc1ccc(C(=O)NC2CC2)cc1NCc1cc(Cl)cc(F)c1[O-] ZINC000817405235 1136804562 /nfs/dbraw/zinc/80/45/62/1136804562.db2.gz BUTUSVMVRJDHCH-UHFFFAOYSA-N -1 1 348.805 3.997 20 10 EHCDMM C[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)[C@@H]1C(=O)[O-] ZINC000818631782 1136886525 /nfs/dbraw/zinc/88/65/25/1136886525.db2.gz PVMIEZYIXYAZFZ-LIRRHRJNSA-N -1 1 325.408 3.744 20 10 EHCDMM CC(=O)Nc1cccc2c1C[N@H+](Cc1cc(Cl)ccc1O)CC2 ZINC000877683450 1137685649 /nfs/dbraw/zinc/68/56/49/1137685649.db2.gz XLRUDMZSXXUVEJ-UHFFFAOYSA-N -1 1 330.815 3.562 20 10 EHCDMM O=C1[N-]C(=S)S/C1=C/c1cc(Br)ccc1Cl ZINC000128671434 1137791879 /nfs/dbraw/zinc/79/18/79/1137791879.db2.gz FKVUSRWIRFGUSO-XBXARRHUSA-N -1 1 334.647 3.591 20 10 EHCDMM C[C@H](N[C@@H](C)c1c([O-])cccc1F)c1noc(Cc2ccccc2)n1 ZINC000886536258 1138092649 /nfs/dbraw/zinc/09/26/49/1138092649.db2.gz DTHXINDEVVXOHP-STQMWFEESA-N -1 1 341.386 3.917 20 10 EHCDMM CCO[C@@H](C)c1ncc(C(=O)NCc2cccc(Cl)c2[O-])s1 ZINC000890760827 1016387140 /nfs/dbraw/zinc/38/71/40/1016387140.db2.gz ZXMUEHWNCZQFFI-VIFPVBQESA-N -1 1 340.832 3.530 20 10 EHCDMM Cc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)c(Cl)cc1F ZINC000760360585 1032900065 /nfs/dbraw/zinc/90/00/65/1032900065.db2.gz MBSUECXJTAVKOW-UHFFFAOYSA-N -1 1 329.780 3.602 20 10 EHCDMM [O-]c1c(Br)cccc1CNc1ccc2c(c1)OCCO2 ZINC000048794805 1022841071 /nfs/dbraw/zinc/84/10/71/1022841071.db2.gz RJJNPVIODRYCNM-UHFFFAOYSA-N -1 1 336.185 3.538 20 10 EHCDMM [O-]c1cc(F)c(F)cc1CN1Cc2cnc(-c3ccccc3)nc2C1 ZINC001142527072 1033271337 /nfs/dbraw/zinc/27/13/37/1033271337.db2.gz JQGDCPVGYPIOLS-UHFFFAOYSA-N -1 1 339.345 3.643 20 10 EHCDMM [O-]c1cc(Br)cc(F)c1CN1CC[C@]2(CC2(F)F)C1 ZINC001233032243 1036285610 /nfs/dbraw/zinc/28/56/10/1036285610.db2.gz WZKWHDSNVGSMIE-LBPRGKRZSA-N -1 1 336.151 3.525 20 10 EHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(F)c(C)c1 ZINC000192155729 1040756367 /nfs/dbraw/zinc/75/63/67/1040756367.db2.gz PAQKVHLLAHGZJQ-UHFFFAOYSA-N -1 1 341.429 3.671 20 10 EHCDMM [O-]c1c(Br)cccc1CNc1ncnc2ccccc21 ZINC000764934263 1127555150 /nfs/dbraw/zinc/55/51/50/1127555150.db2.gz KQDXUMWLDXWFGO-UHFFFAOYSA-N -1 1 330.185 3.710 20 10 EHCDMM C[C@H]1CC[C@H](CC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765731200 1127749019 /nfs/dbraw/zinc/74/90/19/1127749019.db2.gz ZGHLNLXJORPICW-QWRGUYRKSA-N -1 1 326.234 3.597 20 10 EHCDMM CCCC1(C(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000765751959 1127766660 /nfs/dbraw/zinc/76/66/60/1127766660.db2.gz BTENYFYBDLWKTL-UHFFFAOYSA-N -1 1 326.234 3.741 20 10 EHCDMM CCc1ccc(CC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765770374 1128160996 /nfs/dbraw/zinc/16/09/96/1128160996.db2.gz PKCSBEBQEWQTKP-UHFFFAOYSA-N -1 1 348.240 3.576 20 10 EHCDMM CCC[C@H](C(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000765771259 1128168272 /nfs/dbraw/zinc/16/82/72/1128168272.db2.gz YCDGYHITHNVPDY-LBPRGKRZSA-N -1 1 328.250 3.843 20 10 EHCDMM Cc1ccnc(F)c1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001212558519 1130384644 /nfs/dbraw/zinc/38/46/44/1130384644.db2.gz PIRLFEZLUWKYQI-UHFFFAOYSA-N -1 1 348.333 3.754 20 10 EHCDMM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc([O-])c(F)c1 ZINC000767289510 1132978517 /nfs/dbraw/zinc/97/85/17/1132978517.db2.gz AYNZRDDYJMZWTO-UHFFFAOYSA-N -1 1 342.414 3.794 20 10 EHCDMM O=C1N[C@H](c2cc(Cl)cc(F)c2[O-])Nc2cccc(Cl)c21 ZINC000768273089 1133120497 /nfs/dbraw/zinc/12/04/97/1133120497.db2.gz HORXVFZIPDXBOB-CYBMUJFWSA-N -1 1 327.142 3.692 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])c1c(F)ccc(F)c1Cl ZINC001180421091 1133372932 /nfs/dbraw/zinc/37/29/32/1133372932.db2.gz VQWRDCZMPQTIRR-UHFFFAOYSA-N -1 1 332.133 3.907 20 10 EHCDMM COC(=O)c1c[nH]c2cc(NCc3cccc(Cl)c3[O-])ccc21 ZINC001182951130 1133751009 /nfs/dbraw/zinc/75/10/09/1133751009.db2.gz YOSQUPKBTLULBY-UHFFFAOYSA-N -1 1 330.771 3.926 20 10 EHCDMM C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cncc([O-])c1 ZINC000786527145 1133861090 /nfs/dbraw/zinc/86/10/90/1133861090.db2.gz RMUPDFKPHRHKTP-HNNXBMFYSA-N -1 1 348.402 3.896 20 10 EHCDMM O=C(CNc1cc(-c2cccs2)ccn1)c1ccc([O-])c(O)c1 ZINC001170316741 1134746803 /nfs/dbraw/zinc/74/68/03/1134746803.db2.gz MEKHWXQOUJDVEH-UHFFFAOYSA-N -1 1 326.377 3.516 20 10 EHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000792703040 1134782593 /nfs/dbraw/zinc/78/25/93/1134782593.db2.gz PCAZABNEKJZBFO-UHFFFAOYSA-N -1 1 349.477 3.794 20 10 EHCDMM CC[C@H](N[C@H](C)c1nncn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000775498701 1134964793 /nfs/dbraw/zinc/96/47/93/1134964793.db2.gz NHQSXVJBKRAQMJ-KCJUWKMLSA-N -1 1 329.231 3.629 20 10 EHCDMM CN1c2ccccc2N(Cc2c([O-])ccc(Cl)c2F)CCC1=O ZINC000809786329 1135891623 /nfs/dbraw/zinc/89/16/23/1135891623.db2.gz YAROICHQIOISNU-UHFFFAOYSA-N -1 1 334.778 3.558 20 10 EHCDMM O=C(NC1CC1)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816479621 1136722899 /nfs/dbraw/zinc/72/28/99/1136722899.db2.gz PUVMXWKGRMLLPD-UHFFFAOYSA-N -1 1 334.778 3.689 20 10 EHCDMM COCCOc1ccccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816525957 1136733578 /nfs/dbraw/zinc/73/35/78/1136733578.db2.gz OLZLKKIIVPSGPD-UHFFFAOYSA-N -1 1 325.767 3.822 20 10 EHCDMM Cn1ccc2ccc(NCc3cc(Cl)c(F)cc3[O-])cc2c1=O ZINC000816603321 1136740217 /nfs/dbraw/zinc/74/02/17/1136740217.db2.gz FSAOOWYBSORBEA-UHFFFAOYSA-N -1 1 332.762 3.649 20 10 EHCDMM CC[C@H](NCc1nn(CC)nc1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000818344270 1136873199 /nfs/dbraw/zinc/87/31/99/1136873199.db2.gz BCVPKTADLRMYOW-ZDUSSCGKSA-N -1 1 343.258 3.860 20 10 EHCDMM CCN(CC)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2F)cc1 ZINC000846778028 1137364866 /nfs/dbraw/zinc/36/48/66/1137364866.db2.gz FCHGPRGZNXTOAN-GOSISDBHSA-N -1 1 348.393 3.727 20 10 EHCDMM COC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1OC ZINC000794965409 1137381716 /nfs/dbraw/zinc/38/17/16/1137381716.db2.gz RYNJXPBKZAFOFC-UHFFFAOYSA-N -1 1 339.750 3.592 20 10 EHCDMM CC(C)c1cnc(SCC(=O)c2ccc([O-])c(O)c2)n1C(C)C ZINC000128988228 1137806830 /nfs/dbraw/zinc/80/68/30/1137806830.db2.gz VPCJQSBBCQKRDK-UHFFFAOYSA-N -1 1 334.441 3.974 20 10 EHCDMM Cc1c(NCc2cc(F)cc(F)c2[O-])cccc1C(=O)N1CCCC1 ZINC000883059578 1137843222 /nfs/dbraw/zinc/84/32/22/1137843222.db2.gz CGXKWCKBQYXBEX-UHFFFAOYSA-N -1 1 346.377 3.827 20 10 EHCDMM O=C(CSc1ccc(Br)cc1)c1ccc([O-])c(O)c1 ZINC000034980678 213003406 /nfs/dbraw/zinc/00/34/06/213003406.db2.gz XXWDWMHBBPLXCA-UHFFFAOYSA-N -1 1 339.210 3.835 20 10 EHCDMM Cc1cc([O-])c(C[NH2+][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(Cl)c1 ZINC001605213594 972958939 /nfs/dbraw/zinc/95/89/39/972958939.db2.gz XFLQNPFUOVWALR-WCFLWFBJSA-N -1 1 325.836 3.579 20 10 EHCDMM CC[C@](C[NH2+]Cc1cc(Cl)c(C)cc1[O-])(C(=O)[O-])c1ccccc1 ZINC001595167099 979719043 /nfs/dbraw/zinc/71/90/43/979719043.db2.gz GZOYVKUOZVTLCV-LJQANCHMSA-N -1 1 347.842 3.876 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1SCCc2sccc21 ZINC000890760136 1016379399 /nfs/dbraw/zinc/37/93/99/1016379399.db2.gz JDYRQKGRXYYTCF-AWEZNQCLSA-N -1 1 339.869 3.754 20 10 EHCDMM CC(C)Cn1ncc(C(=O)NCc2cccc(Cl)c2[O-])c1C1CC1 ZINC000890759622 1016381389 /nfs/dbraw/zinc/38/13/89/1016381389.db2.gz FJWZRRRWVVGDNA-UHFFFAOYSA-N -1 1 347.846 3.706 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1C[C@]12CCc1ccccc12 ZINC000890760582 1016384398 /nfs/dbraw/zinc/38/43/98/1016384398.db2.gz UFMTUXJUIQAEDO-KXBFYZLASA-N -1 1 327.811 3.566 20 10 EHCDMM O=C(C[C@]12CCCC[C@H]1C2(F)F)NCc1cccc(Cl)c1[O-] ZINC000890761229 1016389754 /nfs/dbraw/zinc/38/97/54/1016389754.db2.gz NRCKBEYSVNDPDJ-IUODEOHRSA-N -1 1 329.774 3.877 20 10 EHCDMM Cc1nn(C)c(CNCc2cc(Cl)cc(Cl)c2[O-])c1Cl ZINC000894514561 1022441605 /nfs/dbraw/zinc/44/16/05/1022441605.db2.gz KYDOPKHORKHKTR-UHFFFAOYSA-N -1 1 334.634 3.684 20 10 EHCDMM CCOCc1ccccc1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000891870227 1023161116 /nfs/dbraw/zinc/16/11/16/1023161116.db2.gz PROVWUXDGXYZHP-UHFFFAOYSA-N -1 1 348.830 3.582 20 10 EHCDMM Cc1ccc([C@]2(C)CN(Cc3cc(F)c(F)cc3[O-])CCO2)cc1 ZINC001142527521 1033277581 /nfs/dbraw/zinc/27/75/81/1033277581.db2.gz XUFJOIGBOCTAHO-IBGZPJMESA-N -1 1 333.378 3.726 20 10 EHCDMM COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3ccccc3c2[O-])c1 ZINC000729535114 1025955781 /nfs/dbraw/zinc/95/57/81/1025955781.db2.gz KIVJRJNZUFVBMY-GFCCVEGCSA-N -1 1 337.375 3.751 20 10 EHCDMM O=C(C=C(C1CC1)C1CC1)NCc1cccc(Br)c1[O-] ZINC000277565765 1026020088 /nfs/dbraw/zinc/02/00/88/1026020088.db2.gz PYHJRYMITFSXRQ-UHFFFAOYSA-N -1 1 336.229 3.517 20 10 EHCDMM CC1(C)CN(Cc2cc(Cl)cc(Br)c2[O-])CCCO1 ZINC000708141466 1028180092 /nfs/dbraw/zinc/18/00/92/1028180092.db2.gz SOKMUHAXYNNNKK-UHFFFAOYSA-N -1 1 348.668 3.809 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCCOc2ccccc21 ZINC000892591021 1036382475 /nfs/dbraw/zinc/38/24/75/1036382475.db2.gz AYPHRLDARJRDQX-HNNXBMFYSA-N -1 1 346.814 3.759 20 10 EHCDMM CC(C)OC1CCC(NC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000893855005 1039753073 /nfs/dbraw/zinc/75/30/73/1039753073.db2.gz LIZCYOIZVBDPHD-UHFFFAOYSA-N -1 1 340.851 3.581 20 10 EHCDMM CC1(C)CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764806718 1127537482 /nfs/dbraw/zinc/53/74/82/1127537482.db2.gz PKEYRBODHYOWET-NSHDSACASA-N -1 1 341.249 3.533 20 10 EHCDMM CC(C)(C)c1nccc(NCc2cccc(Br)c2[O-])n1 ZINC000764933005 1127555162 /nfs/dbraw/zinc/55/51/62/1127555162.db2.gz AWNODMFBUZAVGL-UHFFFAOYSA-N -1 1 336.233 3.854 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc(Cl)c1 ZINC000765764100 1127999627 /nfs/dbraw/zinc/99/96/27/1127999627.db2.gz INIILFBZNGYXIT-UHFFFAOYSA-N -1 1 340.604 3.738 20 10 EHCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])C1CCC(F)CC1 ZINC001687180702 1120058488 /nfs/dbraw/zinc/05/84/88/1120058488.db2.gz YADOIFNZCZEGSK-XSRFYTQQSA-N -1 1 328.815 3.762 20 10 EHCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(C(F)(F)F)CC2)c1[O-] ZINC000179963468 1123914113 /nfs/dbraw/zinc/91/41/13/1123914113.db2.gz FJSOJHLWGQTYEC-UHFFFAOYSA-N -1 1 338.713 3.728 20 10 EHCDMM CC1CCN(c2cccc(NC(=O)c3ccc(O)cc3[O-])c2)CC1 ZINC000739600011 1131506809 /nfs/dbraw/zinc/50/68/09/1131506809.db2.gz ZZQGOEZFAOFYQI-UHFFFAOYSA-N -1 1 326.396 3.586 20 10 EHCDMM Cc1cc(C(=O)NCc2cccc(Cl)c2[O-])nn1C1CCCCC1 ZINC001180410872 1133371515 /nfs/dbraw/zinc/37/15/15/1133371515.db2.gz UBWAYAFRJHVWLN-UHFFFAOYSA-N -1 1 347.846 3.986 20 10 EHCDMM COc1ccc(N[C@H](C)c2cc(Br)c(F)cc2[O-])cn1 ZINC000785566047 1133727807 /nfs/dbraw/zinc/72/78/07/1133727807.db2.gz BQVLMVYYMGOVRI-MRVPVSSYSA-N -1 1 341.180 3.871 20 10 EHCDMM CC[C@@H](N[C@@H](C)c1ncnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000788983391 1134199660 /nfs/dbraw/zinc/19/96/60/1134199660.db2.gz MFLWAEFJMPVDKX-GZMMTYOYSA-N -1 1 329.231 3.629 20 10 EHCDMM CC(C)(CNC(=O)c1c([O-])c(O)ccc1F)c1cccc(Cl)c1 ZINC000789964046 1134352171 /nfs/dbraw/zinc/35/21/71/1134352171.db2.gz RBKCFXMUEZEDLD-UHFFFAOYSA-N -1 1 337.778 3.598 20 10 EHCDMM O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1c(F)ccc(O)c1[O-] ZINC000789965647 1134352842 /nfs/dbraw/zinc/35/28/42/1134352842.db2.gz IJMADFGKLXGYGQ-UHFFFAOYSA-N -1 1 341.342 3.633 20 10 EHCDMM CC[C@H]1CCCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000793967142 1135008645 /nfs/dbraw/zinc/00/86/45/1135008645.db2.gz CJGBISACHHXDSV-WCQYABFASA-N -1 1 340.261 3.987 20 10 EHCDMM Cc1ccnc2cc(NC(=O)c3ccc(O)c([O-])c3Cl)ccc12 ZINC001193229855 1135120173 /nfs/dbraw/zinc/12/01/73/1135120173.db2.gz OIJDKPBOEYAQJL-UHFFFAOYSA-N -1 1 328.755 3.860 20 10 EHCDMM O=C(Nc1cccc2c1C(=O)CCC2)c1ccc(O)c([O-])c1Cl ZINC001193230655 1135120828 /nfs/dbraw/zinc/12/08/28/1135120828.db2.gz ZXZMDCWNGKSGHL-UHFFFAOYSA-N -1 1 331.755 3.523 20 10 EHCDMM [O-]c1c(Cl)cccc1CN1CCN(Cc2cccc(F)c2)CC1 ZINC000775649373 1135409081 /nfs/dbraw/zinc/40/90/81/1135409081.db2.gz PCYWJKPPSLGVLX-UHFFFAOYSA-N -1 1 334.822 3.503 20 10 EHCDMM Cc1ccc(CN2CCOCC2)cc1NCc1cccc(Cl)c1[O-] ZINC000775758449 1135644191 /nfs/dbraw/zinc/64/41/91/1135644191.db2.gz SAJKRSMNHHELSY-UHFFFAOYSA-N -1 1 346.858 3.798 20 10 EHCDMM C[C@@H]1CN(Cc2cccc(Cl)c2[O-])c2ccccc2N(C)C1=O ZINC000809786380 1135891244 /nfs/dbraw/zinc/89/12/44/1135891244.db2.gz ZQJOLEPUKBXHHE-GFCCVEGCSA-N -1 1 330.815 3.665 20 10 EHCDMM CC[C@H]1CCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000814179083 1136411859 /nfs/dbraw/zinc/41/18/59/1136411859.db2.gz PIYJXVSSMYJFHC-JTQLQIEISA-N -1 1 349.066 3.902 20 10 EHCDMM COCCOCc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816523379 1136732813 /nfs/dbraw/zinc/73/28/13/1136732813.db2.gz NOOINBWNYNSXDQ-UHFFFAOYSA-N -1 1 339.794 3.960 20 10 EHCDMM COCc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1OC ZINC000862537379 1137148974 /nfs/dbraw/zinc/14/89/74/1137148974.db2.gz XEHITUKRPBSSFV-UHFFFAOYSA-N -1 1 325.767 3.952 20 10 EHCDMM Cc1cc([O-])c(C[NH2+][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)cc1Cl ZINC001594327231 958184748 /nfs/dbraw/zinc/18/47/48/958184748.db2.gz SQBYMBXOVJBCGH-KGYLQXTDSA-N -1 1 325.836 3.579 20 10 EHCDMM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1nc(C(F)(F)F)cs1 ZINC000274657458 1014467612 /nfs/dbraw/zinc/46/76/12/1014467612.db2.gz VYCPLYNETIPCQO-SSDOTTSWSA-N -1 1 347.318 3.627 20 10 EHCDMM CCc1ccccc1C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001597609537 988496580 /nfs/dbraw/zinc/49/65/80/988496580.db2.gz QWGHGFJIKVXGIR-UHFFFAOYSA-N -1 1 333.815 3.695 20 10 EHCDMM CCc1ccccc1C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001597609537 988496583 /nfs/dbraw/zinc/49/65/83/988496583.db2.gz QWGHGFJIKVXGIR-UHFFFAOYSA-N -1 1 333.815 3.695 20 10 EHCDMM C[C@@H](N[C@@H](C)c1cc(Cl)ccc1O)c1ncc(C(=O)[O-])s1 ZINC001593198026 994167902 /nfs/dbraw/zinc/16/79/02/994167902.db2.gz NIHAOOVLINJGOF-JGVFFNPUSA-N -1 1 326.805 3.612 20 10 EHCDMM Nc1ccc(F)c(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c1 ZINC001211835062 1019213318 /nfs/dbraw/zinc/21/33/18/1019213318.db2.gz SSKPALCZFBDXGV-UHFFFAOYSA-N -1 1 348.333 3.633 20 10 EHCDMM COc1ccc(O)c([C@@H](C)NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000729278673 1019257551 /nfs/dbraw/zinc/25/75/51/1019257551.db2.gz SNDFFNUQTSBCEC-GFCCVEGCSA-N -1 1 337.375 3.751 20 10 EHCDMM [O-]c1c(Br)cccc1CNc1ccc(N2CCCC2)nc1 ZINC000048796057 1022894462 /nfs/dbraw/zinc/89/44/62/1022894462.db2.gz IEFCWZDFRFSQKD-UHFFFAOYSA-N -1 1 348.244 3.762 20 10 EHCDMM Cc1ccc([C@@]2(C)CN(Cc3cc(F)c(F)cc3[O-])CCO2)cc1 ZINC001142527522 1033277253 /nfs/dbraw/zinc/27/72/53/1033277253.db2.gz XUFJOIGBOCTAHO-LJQANCHMSA-N -1 1 333.378 3.726 20 10 EHCDMM CC[C@@H](NCc1cnn(CC)n1)c1cc(Cl)cc(Cl)c1[O-] ZINC000527923019 1031412015 /nfs/dbraw/zinc/41/20/15/1031412015.db2.gz HVPDUKJCPXJAJF-CYBMUJFWSA-N -1 1 329.231 3.551 20 10 EHCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(Br)cc1Cl ZINC000174052224 1033718114 /nfs/dbraw/zinc/71/81/14/1033718114.db2.gz FQVRGUJUVZRHBH-BAQGIRSFSA-N -1 1 334.647 3.591 20 10 EHCDMM C[C@@H]1[C@H](C)SCCN1Cc1cc(Br)cc(F)c1[O-] ZINC001180198487 1133348199 /nfs/dbraw/zinc/34/81/99/1133348199.db2.gz BPNSUVZJNSWNSZ-BDAKNGLRSA-N -1 1 334.254 3.620 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2[nH]ccc2c1 ZINC000765728782 1127746613 /nfs/dbraw/zinc/74/66/13/1127746613.db2.gz NRNFEKBOWROXFQ-UHFFFAOYSA-N -1 1 345.196 3.566 20 10 EHCDMM Cc1scc(C(=O)NCc2cccc(Br)c2[O-])c1C ZINC000765728309 1127746937 /nfs/dbraw/zinc/74/69/37/1127746937.db2.gz GVXFENAWGCVBKG-UHFFFAOYSA-N -1 1 340.242 3.763 20 10 EHCDMM C[C@@H](CC(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765752720 1127765878 /nfs/dbraw/zinc/76/58/78/1127765878.db2.gz ZFZVPOZLYPAURB-LBPRGKRZSA-N -1 1 348.240 3.965 20 10 EHCDMM Cc1ccc(F)c(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765752465 1127766710 /nfs/dbraw/zinc/76/67/10/1127766710.db2.gz WHHGZOBYIKMWHW-UHFFFAOYSA-N -1 1 338.176 3.532 20 10 EHCDMM O=C(COC(=O)c1ccc(-c2ccccc2)cc1)c1ccc([O-])c(O)c1 ZINC000916589992 1122205385 /nfs/dbraw/zinc/20/53/85/1122205385.db2.gz RVGTVOSLWJPHTQ-UHFFFAOYSA-N -1 1 348.354 3.805 20 10 EHCDMM [O-]c1c(Br)cccc1CN1CCOCc2ccccc21 ZINC000811508148 1133004567 /nfs/dbraw/zinc/00/45/67/1133004567.db2.gz CORAKCOVPCYZOU-UHFFFAOYSA-N -1 1 334.213 3.692 20 10 EHCDMM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1cccc(Cl)c1[O-] ZINC001180410214 1133371271 /nfs/dbraw/zinc/37/12/71/1133371271.db2.gz MMFFDFDMEANJHE-GFCCVEGCSA-N -1 1 345.826 3.618 20 10 EHCDMM C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cncc([O-])c1 ZINC000786527147 1133861305 /nfs/dbraw/zinc/86/13/05/1133861305.db2.gz RMUPDFKPHRHKTP-OAHLLOKOSA-N -1 1 348.402 3.896 20 10 EHCDMM COCCOc1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000790952441 1134484576 /nfs/dbraw/zinc/48/45/76/1134484576.db2.gz FAJVMQRMJNQZNQ-UHFFFAOYSA-N -1 1 325.767 3.822 20 10 EHCDMM O=C(CNc1cc(F)c(C(F)(F)F)c(F)c1)c1ccc([O-])c(O)c1 ZINC001170314875 1134745855 /nfs/dbraw/zinc/74/58/55/1134745855.db2.gz JPUCGPFEOPTUFO-UHFFFAOYSA-N -1 1 347.239 3.690 20 10 EHCDMM Cc1cc(NCC(=O)c2ccc([O-])c(O)c2)c(OC(C)C)cc1C ZINC001170321165 1134746360 /nfs/dbraw/zinc/74/63/60/1134746360.db2.gz WDVLWGGOCKPKQL-UHFFFAOYSA-N -1 1 329.396 3.797 20 10 EHCDMM Cc1nc2c(F)cccc2cc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193218978 1135115882 /nfs/dbraw/zinc/11/58/82/1135115882.db2.gz FMXSETPQYPARAT-UHFFFAOYSA-N -1 1 346.745 3.999 20 10 EHCDMM O=C(Nc1ccc2[nH]nc(Cl)c2c1)c1ccc(O)c([O-])c1Cl ZINC001193233132 1135116364 /nfs/dbraw/zinc/11/63/64/1135116364.db2.gz VDZFDYPPORIPBU-UHFFFAOYSA-N -1 1 338.150 3.533 20 10 EHCDMM [O-]c1c(Br)cccc1CNc1ccnc2cc(F)cnc21 ZINC000804654438 1135158874 /nfs/dbraw/zinc/15/88/74/1135158874.db2.gz QEXVCYLERJIIHX-UHFFFAOYSA-N -1 1 348.175 3.849 20 10 EHCDMM Cc1cc([N-]S(=O)(=O)c2ccc(C)c3ccccc32)ccc1O ZINC001193857592 1135196873 /nfs/dbraw/zinc/19/68/73/1135196873.db2.gz NDUGWFZIQBOOLZ-UHFFFAOYSA-N -1 1 327.405 3.963 20 10 EHCDMM CC[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1cccc(Cl)c1[O-] ZINC000806151722 1135402383 /nfs/dbraw/zinc/40/23/83/1135402383.db2.gz JXSCMEMXNMPMON-CYBMUJFWSA-N -1 1 332.787 3.940 20 10 EHCDMM CC[C@H](NCc1ncnn1CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806163784 1135405916 /nfs/dbraw/zinc/40/59/16/1135405916.db2.gz VXOTVVQWZRGEGK-LBPRGKRZSA-N -1 1 329.231 3.551 20 10 EHCDMM Cc1nnc(-c2cccc(NCc3cc(Cl)cc(F)c3[O-])c2)n1C ZINC000775757027 1135647213 /nfs/dbraw/zinc/64/72/13/1135647213.db2.gz ASFNZWORMVYDGR-UHFFFAOYSA-N -1 1 346.793 3.901 20 10 EHCDMM O=C(COC(=O)c1ccc(C2=CCCC2)cc1)c1ccc([O-])c(O)c1 ZINC000811257898 1136063494 /nfs/dbraw/zinc/06/34/94/1136063494.db2.gz GRMUIPOGWMLPEU-UHFFFAOYSA-N -1 1 338.359 3.705 20 10 EHCDMM O=C(CCCc1ccccc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000811349284 1136074200 /nfs/dbraw/zinc/07/42/00/1136074200.db2.gz QCCQGGXFIQERHM-UHFFFAOYSA-N -1 1 348.782 3.500 20 10 EHCDMM C[S@@](=O)Cc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816527453 1136734261 /nfs/dbraw/zinc/73/42/61/1136734261.db2.gz LDAUNUJWWUGIIA-OAQYLSRUSA-N -1 1 327.808 3.675 20 10 EHCDMM C[S@](=O)Cc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816527452 1136734344 /nfs/dbraw/zinc/73/43/44/1136734344.db2.gz LDAUNUJWWUGIIA-NRFANRHFSA-N -1 1 327.808 3.675 20 10 EHCDMM Cc1nc(-c2ccc(NCc3cc(Cl)c(F)cc3[O-])cc2)n[nH]1 ZINC000816558849 1136736901 /nfs/dbraw/zinc/73/69/01/1136736901.db2.gz NGQNMEJNRWLOJW-UHFFFAOYSA-N -1 1 332.766 3.890 20 10 EHCDMM C[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)C[C@H](C)C1(F)F ZINC000862442269 1137145155 /nfs/dbraw/zinc/14/51/55/1137145155.db2.gz HISZSEPWPFLSES-AOOOYVTPSA-N -1 1 334.204 3.878 20 10 EHCDMM CCCc1ncc(C[NH2+]Cc2cc(C)cc(Br)c2O)o1 ZINC000825084065 1137164740 /nfs/dbraw/zinc/16/47/40/1137164740.db2.gz BRYDVQJMNBHFBI-UHFFFAOYSA-N -1 1 339.233 3.693 20 10 EHCDMM CCCN(Cc1ccccc1O)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000866599086 1137368144 /nfs/dbraw/zinc/36/81/44/1137368144.db2.gz ZOMYTIVKIUFRDF-UHFFFAOYSA-N -1 1 333.815 3.733 20 10 EHCDMM Cc1ccc(C(C)(C)CN(C)C(=O)c2c([O-])c(O)ccc2F)cc1 ZINC000826136446 1137763182 /nfs/dbraw/zinc/76/31/82/1137763182.db2.gz BAVPYNSFJIETLC-UHFFFAOYSA-N -1 1 331.387 3.595 20 10 EHCDMM Cn1ncc(NCc2cc(Br)cc(F)c2[O-])c1C1CC1 ZINC000883089726 1137844227 /nfs/dbraw/zinc/84/42/27/1137844227.db2.gz RTNPPHMREYVYSQ-UHFFFAOYSA-N -1 1 340.196 3.517 20 10 EHCDMM [O-]c1c(F)cc(F)cc1CNc1nn(CC(F)(F)F)cc1Cl ZINC000883152040 1137846477 /nfs/dbraw/zinc/84/64/77/1137846477.db2.gz HIRSZDBBGXOQQQ-UHFFFAOYSA-N -1 1 341.667 3.695 20 10 EHCDMM Cc1cccc(C)c1NC(=O)CN(C)Cc1cccc(Cl)c1[O-] ZINC000179570485 1139765251 /nfs/dbraw/zinc/76/52/51/1139765251.db2.gz KGPRJDSXTAXIMO-UHFFFAOYSA-N -1 1 332.831 3.733 20 10 EHCDMM C[C@H](NCc1cc(-c2ccccc2)on1)c1cc(C(=O)[O-])ccc1O ZINC001593288773 994659474 /nfs/dbraw/zinc/65/94/74/994659474.db2.gz NIEFAQKWZIPKPO-LBPRGKRZSA-N -1 1 338.363 3.596 20 10 EHCDMM COc1ccccc1[C@@H](C)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760394 1016383553 /nfs/dbraw/zinc/38/35/53/1016383553.db2.gz QPVQRFXIGQNGNE-LBPRGKRZSA-N -1 1 333.815 3.864 20 10 EHCDMM Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000898071214 1033320468 /nfs/dbraw/zinc/32/04/68/1033320468.db2.gz HMTHNXAQDBSDBL-JTQLQIEISA-N -1 1 326.824 3.706 20 10 EHCDMM Cc1cccnc1[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])C(C)C ZINC000893031063 1018223306 /nfs/dbraw/zinc/22/33/06/1018223306.db2.gz AWVCYADMIQEBFF-HNNXBMFYSA-N -1 1 347.846 3.946 20 10 EHCDMM CC(C)c1occc1C(=O)NCc1cccc(Br)c1[O-] ZINC000281039958 1024587358 /nfs/dbraw/zinc/58/73/58/1024587358.db2.gz RFLVHPHEPXLIPL-UHFFFAOYSA-N -1 1 338.201 3.801 20 10 EHCDMM CSCC1CCC(NC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000895124528 1024628065 /nfs/dbraw/zinc/62/80/65/1024628065.db2.gz ZRPAGWNYROYORM-UHFFFAOYSA-N -1 1 342.892 3.767 20 10 EHCDMM Cc1cc(NCc2c([O-])ccc(Cl)c2F)ccc1C(=O)N(C)C ZINC000194911849 1041345606 /nfs/dbraw/zinc/34/56/06/1041345606.db2.gz ZPGVGXCVIXTSFA-UHFFFAOYSA-N -1 1 336.794 3.807 20 10 EHCDMM CC[C@H]1CC[C@H](C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000765754295 1127766535 /nfs/dbraw/zinc/76/65/35/1127766535.db2.gz VDXKQAHPUSLJPR-HAQNSBGRSA-N -1 1 340.261 3.987 20 10 EHCDMM C[C@H]1CC(C(=O)NCc2cccc(Br)c2[O-])C[C@H](C)C1 ZINC000765765105 1128010958 /nfs/dbraw/zinc/01/09/58/1128010958.db2.gz NJKSQFLMBXFMEQ-GHMZBOCLSA-N -1 1 340.261 3.843 20 10 EHCDMM O=C(Nc1cccc(N2CCOCC2)c1)c1cc2ccccc2cc1[O-] ZINC000131753513 1128798622 /nfs/dbraw/zinc/79/86/22/1128798622.db2.gz AYRIDDLTIWNHTN-UHFFFAOYSA-N -1 1 348.402 3.634 20 10 EHCDMM CCC(C)(C)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC001234315850 1120482459 /nfs/dbraw/zinc/48/24/59/1120482459.db2.gz LZEZSYYYTFGETR-UHFFFAOYSA-N -1 1 343.265 3.780 20 10 EHCDMM COC(=O)CN(Cc1cc(Cl)cc(Cl)c1[O-])C1CCCC1 ZINC000769502052 1133303449 /nfs/dbraw/zinc/30/34/49/1133303449.db2.gz SSYQKVWBYANMFR-UHFFFAOYSA-N -1 1 332.227 3.617 20 10 EHCDMM CCN(CC)c1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001180399695 1133365742 /nfs/dbraw/zinc/36/57/42/1133365742.db2.gz GWFBYWVJTPIHHB-UHFFFAOYSA-N -1 1 332.831 3.822 20 10 EHCDMM CN(Cc1cnc2ccccn12)Cc1cc(Cl)cc(Cl)c1[O-] ZINC001203574232 1133838143 /nfs/dbraw/zinc/83/81/43/1133838143.db2.gz QOJLBWSYUIYJPH-UHFFFAOYSA-N -1 1 336.222 3.979 20 10 EHCDMM Cc1c(N[C@H](C)c2cc(F)cc(F)c2[O-])cccc1N1CCNC1=O ZINC000786984743 1133936570 /nfs/dbraw/zinc/93/65/70/1133936570.db2.gz HNGKKOYVORDXMC-LLVKDONJSA-N -1 1 347.365 3.682 20 10 EHCDMM Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1ccc([O-])cc1F ZINC001186348123 1134199419 /nfs/dbraw/zinc/19/94/19/1134199419.db2.gz HMIAUKWIIJFGSV-GOSISDBHSA-N -1 1 343.398 3.907 20 10 EHCDMM Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1ccc([O-])cc1F ZINC001186348124 1134199432 /nfs/dbraw/zinc/19/94/32/1134199432.db2.gz HMIAUKWIIJFGSV-SFHVURJKSA-N -1 1 343.398 3.907 20 10 EHCDMM CN(C)c1cccc([N-]S(=O)(=O)c2ccc(F)c3ccccc32)c1 ZINC001189389799 1134579469 /nfs/dbraw/zinc/57/94/69/1134579469.db2.gz VMIUYRCXACMSNG-UHFFFAOYSA-N -1 1 344.411 3.846 20 10 EHCDMM O=C(Nc1cc(-c2ccc(F)cc2)no1)c1ccc(O)c([O-])c1Cl ZINC001193209910 1135114724 /nfs/dbraw/zinc/11/47/24/1135114724.db2.gz QIDLUWLWEFJNCT-UHFFFAOYSA-N -1 1 348.717 3.798 20 10 EHCDMM O=C(Nc1cc(Cl)cc(Cl)n1)c1ccc(O)c([O-])c1Cl ZINC001193209551 1135114826 /nfs/dbraw/zinc/11/48/26/1135114826.db2.gz MEFICKLLUUSCSK-UHFFFAOYSA-N -1 1 333.558 3.705 20 10 EHCDMM O=C(Nc1ccc(C2CCOCC2)cc1)c1ccc(O)c([O-])c1Cl ZINC001193229763 1135119651 /nfs/dbraw/zinc/11/96/51/1135119651.db2.gz MOXNXSAIBJNLQQ-UHFFFAOYSA-N -1 1 347.798 3.898 20 10 EHCDMM Cc1nn(C)c2cc(NCc3cccc(Br)c3[O-])ccc12 ZINC000812774316 1136245192 /nfs/dbraw/zinc/24/51/92/1136245192.db2.gz KNXFBWAEVCQPCE-UHFFFAOYSA-N -1 1 346.228 3.962 20 10 EHCDMM CC1(C)CC(CC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000816496596 1136725110 /nfs/dbraw/zinc/72/51/10/1136725110.db2.gz PJTLFVOMRVXGCP-UHFFFAOYSA-N -1 1 326.234 3.597 20 10 EHCDMM CN(C)c1ccc(CNC(=O)c2cc3ccccc3cc2[O-])cc1F ZINC001136454146 1137030116 /nfs/dbraw/zinc/03/01/16/1137030116.db2.gz MJKIOLUQEFLVOL-UHFFFAOYSA-N -1 1 338.382 3.681 20 10 EHCDMM CC(C)Oc1ccc([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000825425455 1137177579 /nfs/dbraw/zinc/17/75/79/1137177579.db2.gz XWSPZHDFIPJULV-LLVKDONJSA-N -1 1 333.359 3.515 20 10 EHCDMM CC(C)(C)C[C@H](CC(=O)[O-])[NH2+]Cc1c([O-])cccc1Br ZINC000864511202 1137231055 /nfs/dbraw/zinc/23/10/55/1137231055.db2.gz QVGOFQDRFMCBGG-JTQLQIEISA-N -1 1 344.249 3.524 20 10 EHCDMM [O-]c1ccc(Cl)c(F)c1CNc1nnc(Cc2ccccc2)o1 ZINC000794956276 1137378449 /nfs/dbraw/zinc/37/84/49/1137378449.db2.gz COGFQARPPIJHMG-UHFFFAOYSA-N -1 1 333.750 3.771 20 10 EHCDMM C[C@@H]1COCCN1c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883067417 1137843270 /nfs/dbraw/zinc/84/32/70/1137843270.db2.gz HOCGDNRGCQNGKE-GFCCVEGCSA-N -1 1 334.366 3.508 20 10 EHCDMM CC(C)(C)CC[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C(=O)[O-] ZINC001573425552 958788308 /nfs/dbraw/zinc/78/83/08/958788308.db2.gz SPBSRWYYZIALAW-GFCCVEGCSA-N -1 1 344.249 3.524 20 10 EHCDMM Cc1c(C(=O)NCc2cccc(Cl)c2[O-])cnn1C1CCCCC1 ZINC000890759083 1016381058 /nfs/dbraw/zinc/38/10/58/1016381058.db2.gz BSPVCGGCFVOOFC-UHFFFAOYSA-N -1 1 347.846 3.986 20 10 EHCDMM COc1cccc(C(=O)NCc2cccc(Cl)c2[O-])c1OC(C)C ZINC000890761673 1016391793 /nfs/dbraw/zinc/39/17/93/1016391793.db2.gz VNGVHCFYNFCZGY-UHFFFAOYSA-N -1 1 349.814 3.771 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H](c1ccccn1)C1CCC1 ZINC000895974776 1025031630 /nfs/dbraw/zinc/03/16/30/1025031630.db2.gz KVDSBQNZXYGDQI-MRXNPFEDSA-N -1 1 345.830 3.781 20 10 EHCDMM COC(=O)c1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000048795506 1026268145 /nfs/dbraw/zinc/26/81/45/1026268145.db2.gz XLKIRWDUCSGNES-UHFFFAOYSA-N -1 1 336.185 3.553 20 10 EHCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccc(N(C)C)cc1 ZINC000894287610 1028814322 /nfs/dbraw/zinc/81/43/22/1028814322.db2.gz WIVXHBOCHHUKKX-LBPRGKRZSA-N -1 1 347.846 3.672 20 10 EHCDMM [O-]c1c(F)cc(Br)cc1CNc1nnc(C2CC2)s1 ZINC000905407117 1038865186 /nfs/dbraw/zinc/86/51/86/1038865186.db2.gz WKALRYRXCBASFP-UHFFFAOYSA-N -1 1 344.209 3.635 20 10 EHCDMM CSCCCCCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000894134321 1041124512 /nfs/dbraw/zinc/12/45/12/1041124512.db2.gz OSPBLPDKEMQQHD-UHFFFAOYSA-N -1 1 330.881 3.768 20 10 EHCDMM Cc1cc(NCc2cccc(Br)c2[O-])nc(C(C)C)n1 ZINC000764934816 1127555985 /nfs/dbraw/zinc/55/59/85/1127555985.db2.gz MUIFUABZVHWMMH-UHFFFAOYSA-N -1 1 336.233 3.989 20 10 EHCDMM CC(C)CC[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000765446480 1127612526 /nfs/dbraw/zinc/61/25/26/1127612526.db2.gz OSJBQRDBNAMNHR-LLVKDONJSA-N -1 1 343.265 3.779 20 10 EHCDMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765751574 1127766545 /nfs/dbraw/zinc/76/65/45/1127766545.db2.gz GPGRSOCIXUQALI-NSHDSACASA-N -1 1 334.213 3.575 20 10 EHCDMM C/C(=C/C(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765766804 1128080258 /nfs/dbraw/zinc/08/02/58/1128080258.db2.gz BUKRJJMTFNVGTF-BENRWUELSA-N -1 1 346.224 3.874 20 10 EHCDMM C[C@H]1CCC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765769492 1128154631 /nfs/dbraw/zinc/15/46/31/1128154631.db2.gz MIULQFGLDHKLOE-WDEREUQCSA-N -1 1 326.234 3.597 20 10 EHCDMM CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC001626085751 1129672774 /nfs/dbraw/zinc/67/27/74/1129672774.db2.gz PGIRPQSRWQVRDY-UHFFFAOYSA-N -1 1 332.831 3.822 20 10 EHCDMM CCNC(=O)c1ccc(NCc2cc(Cl)cc(F)c2[O-])c(C)c1 ZINC001178787058 1133198901 /nfs/dbraw/zinc/19/89/01/1133198901.db2.gz IFMDNVATDCMJNS-UHFFFAOYSA-N -1 1 336.794 3.855 20 10 EHCDMM NC(=O)N1CCCc2ccc(NCc3c([O-])ccc(Cl)c3F)cc21 ZINC000785562975 1133727198 /nfs/dbraw/zinc/72/71/98/1133727198.db2.gz RZZLYZUWWDHXLY-UHFFFAOYSA-N -1 1 349.793 3.628 20 10 EHCDMM Cc1ccc(N[C@@H](C)c2cc(F)cc(F)c2[O-])cc1N1CCNC1=O ZINC000786978534 1133935557 /nfs/dbraw/zinc/93/55/57/1133935557.db2.gz DARCLDOZBZPOFL-NSHDSACASA-N -1 1 347.365 3.682 20 10 EHCDMM Cc1c(NCc2cccc(Br)c2[O-])cnn1CC(C)C ZINC000774822360 1134033115 /nfs/dbraw/zinc/03/31/15/1134033115.db2.gz DHBFBSGQOPYBER-UHFFFAOYSA-N -1 1 338.249 3.928 20 10 EHCDMM CN(CCc1cccc2ccccc21)C(=O)c1c([O-])c(O)ccc1F ZINC000789966001 1134353352 /nfs/dbraw/zinc/35/33/52/1134353352.db2.gz DXOAATAZUUPFGO-UHFFFAOYSA-N -1 1 339.366 3.705 20 10 EHCDMM [O-]c1ccc(Cl)c(F)c1CNc1cccc(Br)n1 ZINC000790246660 1134384881 /nfs/dbraw/zinc/38/48/81/1134384881.db2.gz WJUGGHZANWPKMY-UHFFFAOYSA-N -1 1 331.572 3.954 20 10 EHCDMM Cc1ccc2c(F)c(F)cc(NCC(=O)c3ccc([O-])c(O)c3)c2n1 ZINC001170315378 1134745843 /nfs/dbraw/zinc/74/58/43/1134745843.db2.gz WPDWQHOKEYIOKC-UHFFFAOYSA-N -1 1 344.317 3.527 20 10 EHCDMM Cc1cc(NCC(=O)c2ccc([O-])c(O)c2)ccc1C(F)(F)F ZINC001170314517 1134745950 /nfs/dbraw/zinc/74/59/50/1134745950.db2.gz BUVBPSUMNJXMRE-UHFFFAOYSA-N -1 1 325.286 3.720 20 10 EHCDMM C[C@H](Nc1ccc2ccn(C)c(=O)c2c1)c1cc(F)cc(F)c1[O-] ZINC000793566907 1134958022 /nfs/dbraw/zinc/95/80/22/1134958022.db2.gz VQKYFMGUSNVFQP-JTQLQIEISA-N -1 1 330.334 3.695 20 10 EHCDMM Cc1ccc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)c2ccccc12 ZINC001193863245 1135197647 /nfs/dbraw/zinc/19/76/47/1135197647.db2.gz QXUDLOZKGOCFNY-UHFFFAOYSA-N -1 1 349.358 3.933 20 10 EHCDMM CC(C)(O)COc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000775757774 1135649529 /nfs/dbraw/zinc/64/95/29/1135649529.db2.gz LFERXSGSNFZGHS-UHFFFAOYSA-N -1 1 339.794 3.947 20 10 EHCDMM Cc1c(C[S@](C)=O)cccc1NCc1cc(Cl)cc(F)c1[O-] ZINC001201323188 1136007904 /nfs/dbraw/zinc/00/79/04/1136007904.db2.gz IUIUYQAMFHAKFW-QFIPXVFZSA-N -1 1 341.835 3.984 20 10 EHCDMM CC(=O)c1cc(Cl)cc(CN2CCc3c(O)cccc3C2)c1[O-] ZINC000859943653 1137038065 /nfs/dbraw/zinc/03/80/65/1137038065.db2.gz KXSUGHNDBLTOCX-UHFFFAOYSA-N -1 1 331.799 3.512 20 10 EHCDMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1ccc(N2CCCC2)cc1 ZINC000864863123 1137249705 /nfs/dbraw/zinc/24/97/05/1137249705.db2.gz QDRJEWBRBNBLKB-UHFFFAOYSA-N -1 1 344.842 3.505 20 10 EHCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000883035086 1137842255 /nfs/dbraw/zinc/84/22/55/1137842255.db2.gz QPKQFVKITAJWJC-MSOLQXFVSA-N -1 1 349.377 3.965 20 10 EHCDMM [O-]c1c(F)cc(F)cc1CNc1ccn(C2CCSCC2)n1 ZINC000883192929 1137848037 /nfs/dbraw/zinc/84/80/37/1137848037.db2.gz KWEPNBNSIRTXGG-UHFFFAOYSA-N -1 1 325.384 3.547 20 10 EHCDMM Cc1cc(CNCc2ccc(C(=O)[O-])o2)c(C)n1-c1cccc(C)c1 ZINC000738681267 600525122 /nfs/dbraw/zinc/52/51/22/600525122.db2.gz RWJSTQBFNLTFOQ-UHFFFAOYSA-N -1 1 338.407 3.984 20 10 EHCDMM CC(C)N(Cc1ccc(N(C)C)cc1)[C@H](C)c1ncc(C(=O)[O-])s1 ZINC001591596884 992826506 /nfs/dbraw/zinc/82/65/06/992826506.db2.gz SVPVOSIWSQONTM-CYBMUJFWSA-N -1 1 347.484 3.879 20 10 EHCDMM CC(C)Oc1cccc(CC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000890757563 1016368237 /nfs/dbraw/zinc/36/82/37/1016368237.db2.gz IBHSHEISUQOFHV-UHFFFAOYSA-N -1 1 333.815 3.692 20 10 EHCDMM Cc1ccc(CO[C@H](C)C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890760939 1016389680 /nfs/dbraw/zinc/38/96/80/1016389680.db2.gz FLNYCAPNPRSSNF-CYBMUJFWSA-N -1 1 333.815 3.576 20 10 EHCDMM CO[C@H](C)c1nc(CN[C@@H](C)c2ccc(F)c(F)c2[O-])cs1 ZINC000276932154 1023406747 /nfs/dbraw/zinc/40/67/47/1023406747.db2.gz ONECYKJQJGUJOR-DTWKUNHWSA-N -1 1 328.384 3.685 20 10 EHCDMM CC[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])CC(F)(F)F ZINC000895361560 1024389663 /nfs/dbraw/zinc/38/96/63/1024389663.db2.gz GKSZMRTTYYQRGK-SECBINFHSA-N -1 1 338.757 3.823 20 10 EHCDMM O=C1CCC[C@@H](c2cccc(NCc3cccc(Cl)c3[O-])c2)N1 ZINC000895893657 1024950254 /nfs/dbraw/zinc/95/02/54/1024950254.db2.gz LBSNRGBKKVKPBO-INIZCTEOSA-N -1 1 330.815 3.999 20 10 EHCDMM CC(=O)Nc1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000048794522 1026267535 /nfs/dbraw/zinc/26/75/35/1026267535.db2.gz CZEDGKICWRTJIE-UHFFFAOYSA-N -1 1 335.201 3.725 20 10 EHCDMM CCc1nnc([C@H](C)N[C@H](C)c2ccc(Cl)c(Cl)c2[O-])[nH]1 ZINC000273479093 1027450011 /nfs/dbraw/zinc/45/00/11/1027450011.db2.gz LPXVRSBDUPTTEQ-SFYZADRCSA-N -1 1 329.231 3.791 20 10 EHCDMM O=[N+]([O-])c1ccc(NCc2cccc(Br)c2[O-])c(F)c1 ZINC000043474230 1040085361 /nfs/dbraw/zinc/08/53/61/1040085361.db2.gz WYFWTOQNLAQLNF-UHFFFAOYSA-N -1 1 341.136 3.814 20 10 EHCDMM Cc1nc2c(c(NCc3cccc(Br)c3[O-])n1)CCCC2 ZINC000764934842 1127555886 /nfs/dbraw/zinc/55/58/86/1127555886.db2.gz NXBDKXVIJYLDED-UHFFFAOYSA-N -1 1 348.244 3.744 20 10 EHCDMM CCC(CC)[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765727026 1127744863 /nfs/dbraw/zinc/74/48/63/1127744863.db2.gz JRAPKBJBWKSACS-JTQLQIEISA-N -1 1 328.250 3.843 20 10 EHCDMM CC(C)c1cnc(SCC(=O)c2ccc([O-])c(O)c2)n1C1CC1 ZINC000129183543 1120143051 /nfs/dbraw/zinc/14/30/51/1120143051.db2.gz DGIZJYWNLXTVMQ-UHFFFAOYSA-N -1 1 332.425 3.728 20 10 EHCDMM COc1ccccc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001173840466 1132164709 /nfs/dbraw/zinc/16/47/09/1132164709.db2.gz DHJPQYWMPMCKNE-UHFFFAOYSA-N -1 1 345.354 3.920 20 10 EHCDMM C[C@H]1SCCN(Cc2cc(Br)cc(F)c2[O-])[C@H]1C ZINC001180198488 1133348069 /nfs/dbraw/zinc/34/80/69/1133348069.db2.gz BPNSUVZJNSWNSZ-DTWKUNHWSA-N -1 1 334.254 3.620 20 10 EHCDMM C[C@H](Nc1ccc2ccc(=O)n(C)c2c1)c1cc(F)cc(F)c1[O-] ZINC000786942080 1133932252 /nfs/dbraw/zinc/93/22/52/1133932252.db2.gz TUYMKBZERBOMTI-JTQLQIEISA-N -1 1 330.334 3.695 20 10 EHCDMM O=[N+]([O-])c1ccc([O-])c(CNCc2cc(F)c(Cl)cc2F)c1 ZINC000788532132 1134144213 /nfs/dbraw/zinc/14/42/13/1134144213.db2.gz KWZCKTXSUUJGSJ-UHFFFAOYSA-N -1 1 328.702 3.522 20 10 EHCDMM O=C(CNc1ccnc(Oc2ccccc2)c1)c1ccc([O-])c(O)c1 ZINC001170315375 1134745471 /nfs/dbraw/zinc/74/54/71/1134745471.db2.gz WMQZLUBBTFZXFB-UHFFFAOYSA-N -1 1 336.347 3.580 20 10 EHCDMM Nc1cccc2cccc(NC(=O)c3ccc(O)c([O-])c3Cl)c12 ZINC001193229440 1135119668 /nfs/dbraw/zinc/11/96/68/1135119668.db2.gz JCZOTZIMNXWJOP-UHFFFAOYSA-N -1 1 328.755 3.739 20 10 EHCDMM O=C(Nc1cccc2cncc(F)c21)c1ccc(O)c([O-])c1Cl ZINC001193230026 1135119683 /nfs/dbraw/zinc/11/96/83/1135119683.db2.gz OZAIDSGYIOUVMX-UHFFFAOYSA-N -1 1 332.718 3.691 20 10 EHCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC[C@H](Cc2ccccc2)C1 ZINC001193225741 1135120027 /nfs/dbraw/zinc/12/00/27/1135120027.db2.gz RIEHCTPQBBESNW-CQSZACIVSA-N -1 1 345.826 3.846 20 10 EHCDMM O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc([O-])c(Cl)c1 ZINC000807838607 1135581866 /nfs/dbraw/zinc/58/18/66/1135581866.db2.gz ZAVSLFSAVUHINO-UHFFFAOYSA-N -1 1 346.597 3.988 20 10 EHCDMM [O-]c1c(F)cc(F)cc1CNc1ccccc1OCCn1ccnc1 ZINC001201297537 1136004117 /nfs/dbraw/zinc/00/41/17/1136004117.db2.gz HFJVTYHUPOCXKD-UHFFFAOYSA-N -1 1 345.349 3.558 20 10 EHCDMM COCc1cc(NCc2cccc(Cl)c2[O-])cc(C(=O)OC)c1 ZINC000814174377 1136410935 /nfs/dbraw/zinc/41/09/35/1136410935.db2.gz AILLUXDTCJJMGZ-UHFFFAOYSA-N -1 1 335.787 3.591 20 10 EHCDMM O=C(NCCCC1CCC1)NCc1cccc(Br)c1[O-] ZINC000852582989 1136468236 /nfs/dbraw/zinc/46/82/36/1136468236.db2.gz PHPKXAROVOFFAA-UHFFFAOYSA-N -1 1 341.249 3.534 20 10 EHCDMM O=[N+]([O-])c1ccc([O-])c(CNC2(c3c(F)cccc3F)CCC2)c1 ZINC000858341959 1136959922 /nfs/dbraw/zinc/95/99/22/1136959922.db2.gz IEFZPAGGQUKBBY-UHFFFAOYSA-N -1 1 334.322 3.748 20 10 EHCDMM CC[C@@H]1CCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000830529596 1137088586 /nfs/dbraw/zinc/08/85/86/1137088586.db2.gz MXMZAUSRLJOFNE-ZYHUDNBSSA-N -1 1 326.234 3.597 20 10 EHCDMM O=C1[N-]C(=S)S/C1=C/C1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000215026032 1137954255 /nfs/dbraw/zinc/95/42/55/1137954255.db2.gz FYFGZHJILCGGKN-WTDSWWLTSA-N -1 1 344.244 3.801 20 10 EHCDMM CC(C)[C@H]1C[C@H](CC(=O)NCc2cccc(Cl)c2[O-])CCO1 ZINC000890759497 1016381482 /nfs/dbraw/zinc/38/14/82/1016381482.db2.gz LNZYGHOYKKXXEU-IUODEOHRSA-N -1 1 325.836 3.503 20 10 EHCDMM CC[C@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccc(OC)cc1 ZINC000890760257 1016390889 /nfs/dbraw/zinc/39/08/89/1016390889.db2.gz MBMYSHNFYJDGPI-HNNXBMFYSA-N -1 1 333.815 3.864 20 10 EHCDMM CN(C)c1ccc([C@@H]2C[C@H]2C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890763127 1016414208 /nfs/dbraw/zinc/41/42/08/1016414208.db2.gz NYRFTWRYZHDGSW-JKSUJKDBSA-N -1 1 344.842 3.532 20 10 EHCDMM Cc1cccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000179445269 1016871740 /nfs/dbraw/zinc/87/17/40/1016871740.db2.gz DBYUHYWGPHABJC-UHFFFAOYSA-N -1 1 332.208 3.808 20 10 EHCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(Cl)c(Br)c1 ZINC000588384635 1019770982 /nfs/dbraw/zinc/77/09/82/1019770982.db2.gz VPOOIJQFZFMWHB-YWEYNIOJSA-N -1 1 334.647 3.591 20 10 EHCDMM CCO[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC000894473213 1022341753 /nfs/dbraw/zinc/34/17/53/1022341753.db2.gz NYAXXAXKHLADLZ-MRXNPFEDSA-N -1 1 348.830 3.623 20 10 EHCDMM CN(C)c1ccc([S@@](C)(=O)=NCc2cccc(Cl)c2[O-])cc1 ZINC000895734254 1024787001 /nfs/dbraw/zinc/78/70/01/1024787001.db2.gz LLPVKXBZYVFTHF-JOCHJYFZSA-N -1 1 338.860 3.769 20 10 EHCDMM COc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(C(C)=O)c2O)cc1 ZINC000320720992 1030540149 /nfs/dbraw/zinc/54/01/49/1030540149.db2.gz IOPGWALSACRKRQ-UHFFFAOYSA-N -1 1 333.815 3.889 20 10 EHCDMM CC[C@@H](NCc1cnn(CC)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000527922571 1031411893 /nfs/dbraw/zinc/41/18/93/1031411893.db2.gz GZRUAEZUQVVOJM-GFCCVEGCSA-N -1 1 329.231 3.551 20 10 EHCDMM [O-]c1c(Cl)cccc1CNc1cc(Cl)nc([C@H]2CCCO2)n1 ZINC000897391789 1032025636 /nfs/dbraw/zinc/02/56/36/1032025636.db2.gz ASBMCBDFQUWZRH-LLVKDONJSA-N -1 1 340.210 3.953 20 10 EHCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2c2ccc(C)o2)c1[O-] ZINC000177192797 1034814170 /nfs/dbraw/zinc/81/41/70/1034814170.db2.gz ZPJDTUQLAFJAHU-MRXNPFEDSA-N -1 1 349.814 3.723 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCCOc2ccccc21 ZINC000892591022 1036384468 /nfs/dbraw/zinc/38/44/68/1036384468.db2.gz AYPHRLDARJRDQX-OAHLLOKOSA-N -1 1 346.814 3.759 20 10 EHCDMM CCC[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000728902707 1043859638 /nfs/dbraw/zinc/85/96/38/1043859638.db2.gz NJMQSKPUFDPMHC-UHFFFAOYSA-N -1 1 325.408 3.703 20 10 EHCDMM CCC[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000728902707 1043859661 /nfs/dbraw/zinc/85/96/61/1043859661.db2.gz NJMQSKPUFDPMHC-UHFFFAOYSA-N -1 1 325.408 3.703 20 10 EHCDMM C[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764758833 1127529774 /nfs/dbraw/zinc/52/97/74/1127529774.db2.gz VOJQCDZUSMAMGX-MFKMUULPSA-N -1 1 341.249 3.533 20 10 EHCDMM CCC1(CNC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000764791544 1127533815 /nfs/dbraw/zinc/53/38/15/1127533815.db2.gz NGPRXRXUTXYIJE-UHFFFAOYSA-N -1 1 341.249 3.534 20 10 EHCDMM CC[C@H]1CCC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764798371 1127534781 /nfs/dbraw/zinc/53/47/81/1127534781.db2.gz QENKHXCANNGPNE-GWCFXTLKSA-N -1 1 341.249 3.533 20 10 EHCDMM [O-]c1c(Br)cccc1CNc1ncnc2c(F)cccc12 ZINC000764935497 1127555701 /nfs/dbraw/zinc/55/57/01/1127555701.db2.gz VLCKTSQPWZFSAZ-UHFFFAOYSA-N -1 1 348.175 3.849 20 10 EHCDMM C[C@H]1C[C@H](C(=O)NCc2cccc(Br)c2[O-])C[C@@H](C)C1 ZINC000765765107 1128010992 /nfs/dbraw/zinc/01/09/92/1128010992.db2.gz NJKSQFLMBXFMEQ-PJXYFTJBSA-N -1 1 340.261 3.843 20 10 EHCDMM Cc1cc(C(=O)Nc2c[n-][nH]c2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC001648816020 1120047611 /nfs/dbraw/zinc/04/76/11/1120047611.db2.gz IJVOTTDWGAYCLN-UHFFFAOYSA-N -1 1 338.411 3.899 20 10 EHCDMM CN(C)c1ccc(NCc2cc(Br)cc(F)c2[O-])cc1 ZINC000715766049 1129337793 /nfs/dbraw/zinc/33/77/93/1129337793.db2.gz MPRQGWFIZNTWPQ-UHFFFAOYSA-N -1 1 339.208 3.972 20 10 EHCDMM CCOc1ncccc1NCc1cc(Br)cc(F)c1[O-] ZINC000715771201 1129356794 /nfs/dbraw/zinc/35/67/94/1129356794.db2.gz UGNXSDXOQLADBD-UHFFFAOYSA-N -1 1 341.180 3.700 20 10 EHCDMM CN(C)c1ccc(CN(C)C(=O)c2ccc3ccccc3c2[O-])cc1 ZINC000744373043 1133267773 /nfs/dbraw/zinc/26/77/73/1133267773.db2.gz UNPVLJDGBSROJZ-UHFFFAOYSA-N -1 1 334.419 3.884 20 10 EHCDMM O=S(=O)([N-]c1cc(F)c(O)c(F)c1)c1cc2ccccc2s1 ZINC001185460787 1134092488 /nfs/dbraw/zinc/09/24/88/1134092488.db2.gz WNYYCSFFROKWAG-UHFFFAOYSA-N -1 1 341.360 3.686 20 10 EHCDMM CCOC(=O)[C@H](Cc1ccccc1)N(C)Cc1cccc(Cl)c1[O-] ZINC000775686309 1135511622 /nfs/dbraw/zinc/51/16/22/1135511622.db2.gz HPCMMVUDUGHJTG-KRWDZBQOSA-N -1 1 347.842 3.652 20 10 EHCDMM CCc1ccc([C@@H](COC)NCc2cc(Cl)cc(F)c2[O-])o1 ZINC000776178015 1136016130 /nfs/dbraw/zinc/01/61/30/1136016130.db2.gz XVJQOPNAPQUMHO-CQSZACIVSA-N -1 1 327.783 3.817 20 10 EHCDMM [O-]c1cc(F)c(Cl)cc1CNc1cccc(N2CCOCC2)c1 ZINC000816523385 1136733102 /nfs/dbraw/zinc/73/31/02/1136733102.db2.gz NXDWBDBCWJBVMQ-UHFFFAOYSA-N -1 1 336.794 3.633 20 10 EHCDMM COC(=O)CCc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816588716 1136734798 /nfs/dbraw/zinc/73/47/98/1136734798.db2.gz WOPNEIHSQMMMOT-UHFFFAOYSA-N -1 1 337.778 3.902 20 10 EHCDMM C[C@@H](Nc1cnn(CCF)c1)c1cc(Br)c(F)cc1[O-] ZINC000858492097 1136972853 /nfs/dbraw/zinc/97/28/53/1136972853.db2.gz SWJPJFTULUZMPG-MRVPVSSYSA-N -1 1 346.175 3.633 20 10 EHCDMM CCCN(CCC)c1ccc(C=Cc2ncc(OC)c(=O)[n-]2)cc1 ZINC000821009002 1137015563 /nfs/dbraw/zinc/01/55/63/1137015563.db2.gz VRTCVVMQYDYQTM-DHZHZOJOSA-N -1 1 327.428 3.988 20 10 EHCDMM Cc1c(NCc2cc(Cl)cc(F)c2[O-])cnn1C1CCOCC1 ZINC000824517056 1137140854 /nfs/dbraw/zinc/14/08/54/1137140854.db2.gz OWPVJWPAMYXJIF-UHFFFAOYSA-N -1 1 339.798 3.653 20 10 EHCDMM [O-]c1c(F)cc(Cl)cc1CN1Cc2cccnc2N2CCC[C@H]2C1 ZINC000877763118 1137688859 /nfs/dbraw/zinc/68/88/59/1137688859.db2.gz YPZRVOXOTHCFND-HNNXBMFYSA-N -1 1 347.821 3.564 20 10 EHCDMM Cc1nn(-c2ccc(Cl)cc2)c(C)c1C=C1SC(=S)[N-]C1=O ZINC000255289330 1020701405 /nfs/dbraw/zinc/70/14/05/1020701405.db2.gz AYRMJNMGKIMZRZ-NTUHNPAUSA-N -1 1 349.868 3.631 20 10 EHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@]12CCOC2 ZINC000708139787 1027874914 /nfs/dbraw/zinc/87/49/14/1027874914.db2.gz IPTVCUWTVKPZCZ-CQSZACIVSA-N -1 1 346.652 3.563 20 10 EHCDMM Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](Cc2nccs2)C1 ZINC000898071215 1033322701 /nfs/dbraw/zinc/32/27/01/1033322701.db2.gz HMTHNXAQDBSDBL-SNVBAGLBSA-N -1 1 326.824 3.706 20 10 EHCDMM COc1ccc(N(C)Cc2cc(Cl)cc(F)c2[O-])cc1OC ZINC000761222268 1034783084 /nfs/dbraw/zinc/78/30/84/1034783084.db2.gz OLJQPHQWOBWQNP-UHFFFAOYSA-N -1 1 325.767 3.838 20 10 EHCDMM CCCNC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000195130988 1041387030 /nfs/dbraw/zinc/38/70/30/1041387030.db2.gz DWRRVTINIWPXDU-UHFFFAOYSA-N -1 1 336.794 3.937 20 10 EHCDMM Cc1ncc(NCc2cc(F)cc(F)c2[O-])cc1Br ZINC001179822466 1133292336 /nfs/dbraw/zinc/29/23/36/1133292336.db2.gz NUMDPPWJFGGYQM-UHFFFAOYSA-N -1 1 329.144 3.748 20 10 EHCDMM C[C@@H]1CCC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764766143 1127529389 /nfs/dbraw/zinc/52/93/89/1127529389.db2.gz YCYLBDCASGWSDF-PWSUYJOCSA-N -1 1 341.249 3.533 20 10 EHCDMM CC(=O)c1cc(-c2nc(-c3ccc(-n4c(C)ccc4C)cc3)no2)n[n-]1 ZINC001212429652 1128588284 /nfs/dbraw/zinc/58/82/84/1128588284.db2.gz KTBQJCNSFHPMDJ-UHFFFAOYSA-N -1 1 347.378 3.737 20 10 EHCDMM CC(=O)c1cc(-c2nc(-c3ccc(-n4c(C)ccc4C)cc3)no2)[n-]n1 ZINC001212429652 1128588289 /nfs/dbraw/zinc/58/82/89/1128588289.db2.gz KTBQJCNSFHPMDJ-UHFFFAOYSA-N -1 1 347.378 3.737 20 10 EHCDMM Cc1ccc2c(c1)C(=O)N(C)[C@H](c1cccc(Br)c1[O-])N2 ZINC000153709511 1121611808 /nfs/dbraw/zinc/61/18/08/1121611808.db2.gz YRGZTRWANRLRQM-OAHLLOKOSA-N -1 1 347.212 3.659 20 10 EHCDMM COc1cccc(NCc2cc(Br)cc(F)c2[O-])c1 ZINC000715772011 1129361167 /nfs/dbraw/zinc/36/11/67/1129361167.db2.gz XOZOLQWOPJEQIM-UHFFFAOYSA-N -1 1 326.165 3.915 20 10 EHCDMM O=C1N[C@H](c2cc(Cl)cc(F)c2[O-])Nc2ccc(Cl)cc21 ZINC000768273019 1133119261 /nfs/dbraw/zinc/11/92/61/1133119261.db2.gz BTOMFWBCHUTYOU-CYBMUJFWSA-N -1 1 327.142 3.692 20 10 EHCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000769379890 1133272791 /nfs/dbraw/zinc/27/27/91/1133272791.db2.gz BPFAMPGZEQBYHC-ZYHUDNBSSA-N -1 1 344.160 3.587 20 10 EHCDMM Cc1cc(C)c2nc(NCC(=O)c3ccc([O-])c(O)c3)cc(C)c2c1 ZINC001170316615 1134746535 /nfs/dbraw/zinc/74/65/35/1134746535.db2.gz UKWHVWFUBSTPNF-UHFFFAOYSA-N -1 1 336.391 3.866 20 10 EHCDMM Cc1cc(-c2ccccc2)ncc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170321276 1134746700 /nfs/dbraw/zinc/74/67/00/1134746700.db2.gz YZCLBLXGLFUHKE-UHFFFAOYSA-N -1 1 334.375 3.763 20 10 EHCDMM CC[C@@H]1CCCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000793967141 1135008563 /nfs/dbraw/zinc/00/85/63/1135008563.db2.gz CJGBISACHHXDSV-DGCLKSJQSA-N -1 1 340.261 3.987 20 10 EHCDMM COc1ccc([C@H](NC(=O)c2ccc(O)c([O-])c2Cl)C2CC2)cc1 ZINC001193247379 1135118405 /nfs/dbraw/zinc/11/84/05/1135118405.db2.gz WQDPOESSCAHTJZ-MRXNPFEDSA-N -1 1 347.798 3.641 20 10 EHCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000808112240 1135618786 /nfs/dbraw/zinc/61/87/86/1135618786.db2.gz OQJFIPHZYWTOCS-UHFFFAOYSA-N -1 1 345.392 3.853 20 10 EHCDMM Cc1nc2ccc(NC(=O)NCc3cccc(Cl)c3[O-])cc2o1 ZINC001196900043 1135628004 /nfs/dbraw/zinc/62/80/04/1135628004.db2.gz PLGKWONROCCLIR-UHFFFAOYSA-N -1 1 331.759 3.817 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccccc1Cl ZINC000765728549 1135666580 /nfs/dbraw/zinc/66/65/80/1135666580.db2.gz VLDMVNUGBDWMPP-UHFFFAOYSA-N -1 1 340.604 3.738 20 10 EHCDMM CC(=O)N1CCCN(Cc2cc(Cl)cc(F)c2[O-])c2ccccc21 ZINC000809786162 1135891541 /nfs/dbraw/zinc/89/15/41/1135891541.db2.gz RTDNMBOLXLRTNL-UHFFFAOYSA-N -1 1 348.805 3.948 20 10 EHCDMM C[C@H](N[C@@H]1C[C@@H](C)n2ncnc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000850499132 1136271913 /nfs/dbraw/zinc/27/19/13/1136271913.db2.gz JVHLQVIYFFXHGN-VHSKPIJISA-N -1 1 327.215 3.647 20 10 EHCDMM O=C1OCCN1c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816479171 1136722911 /nfs/dbraw/zinc/72/29/11/1136722911.db2.gz DMHOOWWQLXJEFU-UHFFFAOYSA-N -1 1 336.750 3.753 20 10 EHCDMM COc1ccccc1C1([NH2+]Cc2c(O)cccc2Br)CC1 ZINC000858182206 1136947377 /nfs/dbraw/zinc/94/73/77/1136947377.db2.gz KQNWUCUQMMCLTO-UHFFFAOYSA-N -1 1 348.240 3.942 20 10 EHCDMM C[C@@H]1CCCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000819513164 1136949789 /nfs/dbraw/zinc/94/97/89/1136949789.db2.gz BCXDSQABJDSCDG-ZYHUDNBSSA-N -1 1 326.234 3.597 20 10 EHCDMM [O-]c1ccc(Cl)c(F)c1CNc1nc(C2CCOCC2)ns1 ZINC000865294331 1137274939 /nfs/dbraw/zinc/27/49/39/1137274939.db2.gz IGEIXCWKVWIISS-UHFFFAOYSA-N -1 1 343.811 3.542 20 10 EHCDMM CCn1ncc(N[C@H](C)c2cc(Br)cc(F)c2[O-])c1C ZINC000872137126 1137573728 /nfs/dbraw/zinc/57/37/28/1137573728.db2.gz JQVSYXSDKNWQOQ-MRVPVSSYSA-N -1 1 342.212 3.992 20 10 EHCDMM Cn1nc(NCc2cc(Br)cc(F)c2[O-])cc1C1CC1 ZINC000883121655 1137845402 /nfs/dbraw/zinc/84/54/02/1137845402.db2.gz OGMGFVNGQPEKJQ-UHFFFAOYSA-N -1 1 340.196 3.517 20 10 EHCDMM Cn1cc(NCc2cc(Br)cc(F)c2[O-])c(C2CC2)n1 ZINC000883126048 1137845455 /nfs/dbraw/zinc/84/54/55/1137845455.db2.gz CRHOUZTZVBEPAC-UHFFFAOYSA-N -1 1 340.196 3.517 20 10 EHCDMM C[C@H](N[C@H](CCO)C(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000886801206 1138144014 /nfs/dbraw/zinc/14/40/14/1138144014.db2.gz JQYGPOKEULWXIZ-UPONEAKYSA-N -1 1 332.149 3.663 20 10 EHCDMM Cc1cnc(C(C)(C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000175980256 1139532158 /nfs/dbraw/zinc/53/21/58/1139532158.db2.gz IMAWDXCYSIUOTR-UHFFFAOYSA-N -1 1 341.820 3.744 20 10 EHCDMM CC[C@@H]([NH2+][C@@H]1CC=C(C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1[O-] ZINC001595281448 980334652 /nfs/dbraw/zinc/33/46/52/980334652.db2.gz OEIMSHUZRXWNKH-DGCLKSJQSA-N -1 1 329.318 3.625 20 10 EHCDMM C[C@@H](NCc1coc(-c2cccs2)n1)c1cc(C(=O)[O-])ccc1O ZINC001593311388 994781202 /nfs/dbraw/zinc/78/12/02/994781202.db2.gz GCAZXADBVHIQKV-SNVBAGLBSA-N -1 1 344.392 3.658 20 10 EHCDMM CC(C)(C)c1nn(-c2ccccc2)cc1C=C1SC(=S)[N-]C1=O ZINC000176949815 1033807760 /nfs/dbraw/zinc/80/77/60/1033807760.db2.gz HDKZHIOBZXSAFP-LCYFTJDESA-N -1 1 343.477 3.659 20 10 EHCDMM Cc1cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cnc1F ZINC001212188630 1034189486 /nfs/dbraw/zinc/18/94/86/1034189486.db2.gz UVATWYRPRAUVJB-UHFFFAOYSA-N -1 1 348.333 3.754 20 10 EHCDMM Cc1cccc(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765209621 1127584806 /nfs/dbraw/zinc/58/48/06/1127584806.db2.gz CLCUDCJEFGSILJ-UHFFFAOYSA-N -1 1 335.201 3.785 20 10 EHCDMM C[C@@H]1CC[C@H](CC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765731199 1127749123 /nfs/dbraw/zinc/74/91/23/1127749123.db2.gz ZGHLNLXJORPICW-MNOVXSKESA-N -1 1 326.234 3.597 20 10 EHCDMM Cc1ccc(O)c(CNC(=O)c2c([O-])cnc3ccc(Cl)cc32)c1 ZINC001648926395 1120217881 /nfs/dbraw/zinc/21/78/81/1120217881.db2.gz FNZZVWRIOXQDMM-UHFFFAOYSA-N -1 1 342.782 3.538 20 10 EHCDMM C[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])CC(C)(C)C ZINC000738097944 1131460802 /nfs/dbraw/zinc/46/08/02/1131460802.db2.gz HGMUDOYDZHZLMN-UHFFFAOYSA-N -1 1 327.424 3.807 20 10 EHCDMM Cc1cc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(C)c(C)c1O ZINC000775291935 1134615214 /nfs/dbraw/zinc/61/52/14/1134615214.db2.gz SBRWNCKTPUMICB-UHFFFAOYSA-N -1 1 345.342 3.536 20 10 EHCDMM O=C(CNc1ccc(F)c(C(F)(F)F)c1)c1ccc([O-])c(O)c1 ZINC001170314986 1134745700 /nfs/dbraw/zinc/74/57/00/1134745700.db2.gz NVOVKLSTAHNUKR-UHFFFAOYSA-N -1 1 329.249 3.551 20 10 EHCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CC[C@H](c2ccccc2F)C1 ZINC001193224878 1135114884 /nfs/dbraw/zinc/11/48/84/1135114884.db2.gz DMOJRRRCHZFWII-JTQLQIEISA-N -1 1 335.762 3.520 20 10 EHCDMM CC(C)C[C@@H](NC(=O)c1ccc(O)c([O-])c1Cl)c1ccccn1 ZINC001193247375 1135118180 /nfs/dbraw/zinc/11/81/80/1135118180.db2.gz WIGNKLZYGDWCRN-CYBMUJFWSA-N -1 1 334.803 3.663 20 10 EHCDMM CCN(C)C(=O)c1cccc(N[C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000806169396 1135397099 /nfs/dbraw/zinc/39/70/99/1135397099.db2.gz FJMNLJBPVSPJPK-LLVKDONJSA-N -1 1 334.366 3.935 20 10 EHCDMM [O-]c1c(F)cc(Cl)cc1CN(Cc1ccco1)C[C@H]1CCCO1 ZINC000775661424 1135434140 /nfs/dbraw/zinc/43/41/40/1135434140.db2.gz NNFPOLXXRFXEOW-OAHLLOKOSA-N -1 1 339.794 3.959 20 10 EHCDMM CC[C@@H](NCc1cn(CC)nn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850522290 1136276486 /nfs/dbraw/zinc/27/64/86/1136276486.db2.gz MCPILXXEGCRDGA-GFCCVEGCSA-N -1 1 329.231 3.551 20 10 EHCDMM CC[C@@H](NCc1cn(CC)nn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000850522523 1136276621 /nfs/dbraw/zinc/27/66/21/1136276621.db2.gz SUPKIQHQOAGQLX-CYBMUJFWSA-N -1 1 329.231 3.551 20 10 EHCDMM CC1(c2nsc(NCc3cccc(Br)c3[O-])n2)CC1 ZINC000865293806 1137275056 /nfs/dbraw/zinc/27/50/56/1137275056.db2.gz XDRJFEULIJGEPB-UHFFFAOYSA-N -1 1 340.246 3.670 20 10 EHCDMM CC(C)(C)OC(=O)[C@@H](NCc1cccc(F)c1[O-])c1ccccc1 ZINC000273894375 1141441593 /nfs/dbraw/zinc/44/15/93/1141441593.db2.gz UNCFWOFFVIQBOD-INIZCTEOSA-N -1 1 331.387 3.704 20 10 EHCDMM O=C([O-])Cc1cccc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000819579909 597139576 /nfs/dbraw/zinc/13/95/76/597139576.db2.gz PSBSGGNZCXUSDV-UHFFFAOYSA-N -1 1 326.179 3.938 20 10 EHCDMM C[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000828029048 601893381 /nfs/dbraw/zinc/89/33/81/601893381.db2.gz OBLOLCJVDUTHKR-LJQANCHMSA-N -1 1 325.364 3.588 20 10 EHCDMM C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000828029048 601893383 /nfs/dbraw/zinc/89/33/83/601893383.db2.gz OBLOLCJVDUTHKR-LJQANCHMSA-N -1 1 325.364 3.588 20 10 EHCDMM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1C ZINC001595961233 983157718 /nfs/dbraw/zinc/15/77/18/983157718.db2.gz WFVISAWLBZRGCX-GOSISDBHSA-N -1 1 331.387 3.838 20 10 EHCDMM CC(C)O[C@@H](C(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC000890759893 1016381123 /nfs/dbraw/zinc/38/11/23/1016381123.db2.gz UULUJGSLOOAFJY-QGZVFWFLSA-N -1 1 333.815 3.828 20 10 EHCDMM Cc1cccc(CO[C@@H](C)C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000890762359 1016404291 /nfs/dbraw/zinc/40/42/91/1016404291.db2.gz AFFJBSDTKXXLHN-ZDUSSCGKSA-N -1 1 333.815 3.576 20 10 EHCDMM O=C1[N-]C(=S)S/C1=C/c1cc(Cl)ccc1Br ZINC000255129497 1017988977 /nfs/dbraw/zinc/98/89/77/1017988977.db2.gz FURWNRUGSSDLSY-XBXARRHUSA-N -1 1 334.647 3.591 20 10 EHCDMM O=C1[N-]C(=S)S/C1=C/c1c(-c2ccccc2)nc2sccn12 ZINC000002331326 1019314623 /nfs/dbraw/zinc/31/46/23/1019314623.db2.gz CJPJTIOXDKRBCI-DHZHZOJOSA-N -1 1 343.458 3.552 20 10 EHCDMM Cc1cc([N+](=O)[O-])ccc1NCc1cccc(Br)c1[O-] ZINC000048796291 1022883584 /nfs/dbraw/zinc/88/35/84/1022883584.db2.gz UPUWZUVOIOLKLI-UHFFFAOYSA-N -1 1 337.173 3.983 20 10 EHCDMM CC(C)[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])c1cccnc1 ZINC000893502815 1042303523 /nfs/dbraw/zinc/30/35/23/1042303523.db2.gz OBNKQFCZBWRWJQ-HNNXBMFYSA-N -1 1 347.846 3.680 20 10 EHCDMM COc1ccc(-c2ccccc2)cc1C=C1SC(=S)[N-]C1=O ZINC000756784363 1042413465 /nfs/dbraw/zinc/41/34/65/1042413465.db2.gz SQLDAIYIOWAQNK-GDNBJRDFSA-N -1 1 327.430 3.851 20 10 EHCDMM COc1cccc2c1CC[C@@H]2NC(=O)NCc1cccc(Cl)c1[O-] ZINC000893662438 1043770272 /nfs/dbraw/zinc/77/02/72/1043770272.db2.gz XJBWFGFKNGXBBY-HNNXBMFYSA-N -1 1 346.814 3.541 20 10 EHCDMM CC[C@H]1CCC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764798372 1127534681 /nfs/dbraw/zinc/53/46/81/1127534681.db2.gz QENKHXCANNGPNE-GXFFZTMASA-N -1 1 341.249 3.533 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccc(F)cc1 ZINC000765209587 1127584887 /nfs/dbraw/zinc/58/48/87/1127584887.db2.gz BAJHKKPIHHIKHT-UHFFFAOYSA-N -1 1 339.164 3.616 20 10 EHCDMM Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])c(C)c1 ZINC000765751628 1127766409 /nfs/dbraw/zinc/76/64/09/1127766409.db2.gz ICVXPJJQXNKQNI-UHFFFAOYSA-N -1 1 334.213 3.702 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2c(c1)CCC2 ZINC000765753845 1127778131 /nfs/dbraw/zinc/77/81/31/1127778131.db2.gz QURVWLKMGDNFID-UHFFFAOYSA-N -1 1 346.224 3.573 20 10 EHCDMM CN(Cc1ccc(F)c(F)c1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768262175 1133119050 /nfs/dbraw/zinc/11/90/50/1133119050.db2.gz HLJYPPHSECGLNC-UHFFFAOYSA-N -1 1 342.729 3.864 20 10 EHCDMM Cn1c(=O)ccc2ccc(NCc3c([O-])ccc(Cl)c3F)cc21 ZINC000785536207 1133717984 /nfs/dbraw/zinc/71/79/84/1133717984.db2.gz ATEXNOCTOWTGOS-UHFFFAOYSA-N -1 1 332.762 3.649 20 10 EHCDMM CCC(=O)N(C)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203585336 1133920829 /nfs/dbraw/zinc/92/08/29/1133920829.db2.gz HELFWKWQASQDFA-UHFFFAOYSA-N -1 1 345.270 3.532 20 10 EHCDMM O=S(=O)([N-]c1cc(F)c(O)c(F)c1)c1csc2ccccc21 ZINC001186495536 1134222440 /nfs/dbraw/zinc/22/24/40/1134222440.db2.gz QDFFXMYZOMUSIL-UHFFFAOYSA-N -1 1 341.360 3.686 20 10 EHCDMM CN(Cc1csc2ccccc12)C(=O)c1c([O-])c(O)ccc1F ZINC000789956625 1134351281 /nfs/dbraw/zinc/35/12/81/1134351281.db2.gz HOEJKPCGBLFTOX-UHFFFAOYSA-N -1 1 331.368 3.724 20 10 EHCDMM CC[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CC[C@H]1c1ccccc1 ZINC000789989633 1134356087 /nfs/dbraw/zinc/35/60/87/1134356087.db2.gz KCJHCWIETHTQCL-UKRRQHHQSA-N -1 1 343.398 3.893 20 10 EHCDMM CC(C)Oc1cccc([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000790068789 1134362715 /nfs/dbraw/zinc/36/27/15/1134362715.db2.gz AAPKRVZPYYSKEL-NSHDSACASA-N -1 1 333.359 3.515 20 10 EHCDMM C[C@@H]1[C@@H](C(F)(F)F)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000793228566 1134879087 /nfs/dbraw/zinc/87/90/87/1134879087.db2.gz NOHFVOXYMDGGQX-XCBNKYQSSA-N -1 1 338.713 3.727 20 10 EHCDMM Cc1cc(C)cc(OC[C@@H](C)NC(=O)c2ccc(O)c([O-])c2Cl)c1 ZINC001193236618 1135117238 /nfs/dbraw/zinc/11/72/38/1135117238.db2.gz JRHZPDICRJWTGK-GFCCVEGCSA-N -1 1 349.814 3.565 20 10 EHCDMM COc1ccc(Cn2cc(NCc3cc(F)cc(F)c3[O-])cn2)cc1 ZINC001202335989 1136130730 /nfs/dbraw/zinc/13/07/30/1136130730.db2.gz NVVPFDFRICNXBW-UHFFFAOYSA-N -1 1 345.349 3.536 20 10 EHCDMM Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1C(=O)N(C)C ZINC000816527408 1136734122 /nfs/dbraw/zinc/73/41/22/1136734122.db2.gz IYBCGIRGERMNSA-UHFFFAOYSA-N -1 1 336.794 3.807 20 10 EHCDMM O=C1CCN(Cc2cc(Cl)c(F)cc2[O-])c2ccc(F)cc2N1 ZINC000816613781 1136741752 /nfs/dbraw/zinc/74/17/52/1136741752.db2.gz FGNTWMDXTKVYOU-UHFFFAOYSA-N -1 1 338.741 3.673 20 10 EHCDMM CC(C)(C(=O)NCc1cccc(Br)c1[O-])C1CCC1 ZINC000830528896 1137088899 /nfs/dbraw/zinc/08/88/99/1137088899.db2.gz BRKUWLYSHNZZQU-UHFFFAOYSA-N -1 1 326.234 3.597 20 10 EHCDMM C[C@@H](C(=O)[O-])[C@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC000864510629 1137231009 /nfs/dbraw/zinc/23/10/09/1137231009.db2.gz YDOACJDHYJSGAK-XIKOKIGWSA-N -1 1 348.393 3.582 20 10 EHCDMM CC1CCN(c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000125517796 1137636089 /nfs/dbraw/zinc/63/60/89/1137636089.db2.gz KQXLERSHHQNIKK-UHFFFAOYSA-N -1 1 330.453 3.724 20 10 EHCDMM C[C@H](NCc1ccc(F)c(F)c1[O-])c1nc(C(F)(F)F)cs1 ZINC000877483350 1137677848 /nfs/dbraw/zinc/67/78/48/1137677848.db2.gz STQMGWXIELYNNB-LURJTMIESA-N -1 1 338.301 3.997 20 10 EHCDMM C[C@@H](N[C@H](CCO)C(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000886801205 1138144055 /nfs/dbraw/zinc/14/40/55/1138144055.db2.gz JQYGPOKEULWXIZ-KSBSHMNSSA-N -1 1 332.149 3.663 20 10 EHCDMM [O-]c1c(Cl)cccc1CNc1ccccc1N1CCC(O)CC1 ZINC000180052637 1139804146 /nfs/dbraw/zinc/80/41/46/1139804146.db2.gz LYDKWBZTIXMZPY-UHFFFAOYSA-N -1 1 332.831 3.619 20 10 EHCDMM CC(=O)c1cc(Cl)cc(CN(Cc2ccccn2)C2CC2)c1[O-] ZINC000180857135 1139868661 /nfs/dbraw/zinc/86/86/61/1139868661.db2.gz KKKVVZLDVXXQMJ-UHFFFAOYSA-N -1 1 330.815 3.808 20 10 EHCDMM CCCOc1ccc(CNCc2ccc(Cl)c(C(=O)[O-])n2)cc1C ZINC001595961047 983156144 /nfs/dbraw/zinc/15/61/44/983156144.db2.gz QPWWLIZXABLXAX-UHFFFAOYSA-N -1 1 348.830 3.820 20 10 EHCDMM COc1ccccc1C(C)(C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758290 1016374102 /nfs/dbraw/zinc/37/41/02/1016374102.db2.gz UZAOZSMFMGGYEI-UHFFFAOYSA-N -1 1 333.815 3.648 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cccc([C@@H]2CCCOC2)c1 ZINC000890760795 1016387062 /nfs/dbraw/zinc/38/70/62/1016387062.db2.gz YZKIIWBZVBHODX-MRXNPFEDSA-N -1 1 345.826 3.870 20 10 EHCDMM Cc1cc(NCc2cc(F)cc(F)c2[O-])cnc1Br ZINC000708408252 1031204481 /nfs/dbraw/zinc/20/44/81/1031204481.db2.gz DMFFSPOBBGPYBI-UHFFFAOYSA-N -1 1 329.144 3.748 20 10 EHCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)s1 ZINC000210578405 1040759307 /nfs/dbraw/zinc/75/93/07/1040759307.db2.gz GROCCBOHPDWEAG-KPKJPENVSA-N -1 1 348.430 3.812 20 10 EHCDMM COc1cc(F)c(N[C@@H](C)c2cc(F)cc(F)c2[O-])cc1OC ZINC000756855981 1042746627 /nfs/dbraw/zinc/74/66/27/1042746627.db2.gz BXKBSCICQPAWQO-QMMMGPOBSA-N -1 1 327.302 4.000 20 10 EHCDMM Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1C ZINC000765731955 1127748233 /nfs/dbraw/zinc/74/82/33/1127748233.db2.gz NMICVCGTJBCGLT-UHFFFAOYSA-N -1 1 334.213 3.702 20 10 EHCDMM O=C(Nc1cccc(N2CCOCC2)c1)c1ccc2ccccc2c1[O-] ZINC000131775293 1128835780 /nfs/dbraw/zinc/83/57/80/1128835780.db2.gz JVMFWZFRFDUKDX-UHFFFAOYSA-N -1 1 348.402 3.634 20 10 EHCDMM Cc1cc(O)ccc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001174564797 1132416434 /nfs/dbraw/zinc/41/64/34/1132416434.db2.gz WBGIZIWKQBZFRG-UHFFFAOYSA-N -1 1 345.354 3.925 20 10 EHCDMM N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1c(F)cc([O-])cc1F ZINC001175095695 1132567186 /nfs/dbraw/zinc/56/71/86/1132567186.db2.gz KIOXSYOFYXSAEM-NFTWOGHHSA-N -1 1 341.321 3.938 20 10 EHCDMM CC(C)N(Cc1ccccn1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000768927603 1133204610 /nfs/dbraw/zinc/20/46/10/1133204610.db2.gz ZDTSTMBRQOXWPA-UHFFFAOYSA-N -1 1 335.791 3.759 20 10 EHCDMM COc1cc(NCc2cc(F)cc(F)c2[O-])c2nccc(OC)c2c1 ZINC001179506660 1133257955 /nfs/dbraw/zinc/25/79/55/1133257955.db2.gz FFAVOADEINAEMU-UHFFFAOYSA-N -1 1 346.333 3.848 20 10 EHCDMM Cc1c(Cl)cccc1OCC(=O)NCc1cccc(Cl)c1[O-] ZINC001180409906 1133371218 /nfs/dbraw/zinc/37/12/18/1133371218.db2.gz IGKLNJWJTGMNOT-UHFFFAOYSA-N -1 1 340.206 3.703 20 10 EHCDMM Cc1c(=O)[nH]c2ccccc2c1C(=O)NCc1cccc(Cl)c1[O-] ZINC001180420596 1133373472 /nfs/dbraw/zinc/37/34/72/1133373472.db2.gz MNBMIKIGZNXGQR-UHFFFAOYSA-N -1 1 342.782 3.538 20 10 EHCDMM C[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1cc(F)c(F)cc1[O-] ZINC001180452895 1133377476 /nfs/dbraw/zinc/37/74/76/1133377476.db2.gz QPBDIQNLOIGEOF-UHFFFAOYSA-N -1 1 343.377 3.547 20 10 EHCDMM Cc1cnnn1-c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC001182566995 1133700474 /nfs/dbraw/zinc/70/04/74/1133700474.db2.gz SGJSRSTTZSKFFP-UHFFFAOYSA-N -1 1 332.766 3.686 20 10 EHCDMM CCN(C(C)=O)C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203586478 1133932974 /nfs/dbraw/zinc/93/29/74/1133932974.db2.gz OHTNLEHRHYIJHK-UHFFFAOYSA-N -1 1 345.270 3.532 20 10 EHCDMM Cc1ccc2cccnc2c1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193232810 1135116454 /nfs/dbraw/zinc/11/64/54/1135116454.db2.gz QEDSTGGTWUSFEX-UHFFFAOYSA-N -1 1 328.755 3.860 20 10 EHCDMM CC(C)C[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)c1ccccn1 ZINC001193247376 1135118195 /nfs/dbraw/zinc/11/81/95/1135118195.db2.gz WIGNKLZYGDWCRN-ZDUSSCGKSA-N -1 1 334.803 3.663 20 10 EHCDMM CSc1cccc(NCc2cccc(Br)c2[O-])n1 ZINC000804610636 1135138578 /nfs/dbraw/zinc/13/85/78/1135138578.db2.gz HWDZNSRJVZQECR-UHFFFAOYSA-N -1 1 325.231 3.884 20 10 EHCDMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(O)c(C)c1C ZINC001195309634 1135412008 /nfs/dbraw/zinc/41/20/08/1135412008.db2.gz MFHNTNJHGCOZCE-UHFFFAOYSA-N -1 1 325.817 3.772 20 10 EHCDMM Cc1c(C[S@@](C)=O)cccc1NCc1cc(Cl)cc(F)c1[O-] ZINC001201323187 1136007507 /nfs/dbraw/zinc/00/75/07/1136007507.db2.gz IUIUYQAMFHAKFW-JOCHJYFZSA-N -1 1 341.835 3.984 20 10 EHCDMM Cc1nc(-c2cccc(NCc3cc(Cl)c(F)cc3[O-])c2)n[nH]1 ZINC000816479903 1136722805 /nfs/dbraw/zinc/72/28/05/1136722805.db2.gz YDMJYYVNAFPMDP-UHFFFAOYSA-N -1 1 332.766 3.890 20 10 EHCDMM Cn1cnnc1-c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816523415 1136732904 /nfs/dbraw/zinc/73/29/04/1136732904.db2.gz OYRZFCILVHEZHL-UHFFFAOYSA-N -1 1 332.766 3.592 20 10 EHCDMM Cc1ccc(C(=O)N(C)C)cc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816525333 1136733843 /nfs/dbraw/zinc/73/38/43/1136733843.db2.gz OLGICRFUCSFASS-UHFFFAOYSA-N -1 1 336.794 3.807 20 10 EHCDMM COc1c([O-])c(CN2CC3(CCC3)[C@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000825104484 1137163626 /nfs/dbraw/zinc/16/36/26/1137163626.db2.gz XYYAOSXRGHJKCT-QGZVFWFLSA-N -1 1 344.367 3.629 20 10 EHCDMM CCC[C@H](C)C[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864510368 1137231078 /nfs/dbraw/zinc/23/10/78/1137231078.db2.gz VNSRSEAJGRPMHT-GWCFXTLKSA-N -1 1 344.249 3.524 20 10 EHCDMM CC(C)(C)C[C@@H](CC(=O)[O-])[NH2+]Cc1c([O-])cccc1Br ZINC000864511203 1137231180 /nfs/dbraw/zinc/23/11/80/1137231180.db2.gz QVGOFQDRFMCBGG-SNVBAGLBSA-N -1 1 344.249 3.524 20 10 EHCDMM C[N@H+](Cc1ccsc1)Cc1cc(Br)c(F)cc1O ZINC001144306984 1137270710 /nfs/dbraw/zinc/27/07/10/1137270710.db2.gz YUNOMGWUBBFFGL-UHFFFAOYSA-N -1 1 330.222 3.987 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1C[C@H]1C1CCCC1 ZINC000846015375 1137325901 /nfs/dbraw/zinc/32/59/01/1137325901.db2.gz MOXMDJGOHCRVMF-QWHCGFSZSA-N -1 1 338.245 3.597 20 10 EHCDMM C[C@H]1CC[C@H](C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000846014969 1137326130 /nfs/dbraw/zinc/32/61/30/1137326130.db2.gz KPGJBNBMXSKCQM-XYPYZODXSA-N -1 1 326.234 3.597 20 10 EHCDMM Cc1cc(Br)c([O-])c(CN2C[C@@H](C)OCC23CCC3)c1 ZINC000846067410 1137332472 /nfs/dbraw/zinc/33/24/72/1137332472.db2.gz RSVZRPDXHZVCAS-GFCCVEGCSA-N -1 1 340.261 3.607 20 10 EHCDMM C[C@H](NC(=O)NCc1ccc([O-])c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000872977449 1137587279 /nfs/dbraw/zinc/58/72/79/1137587279.db2.gz YINCEAJYSVWBKK-LBPRGKRZSA-N -1 1 347.846 3.672 20 10 EHCDMM C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ncccc1[O-] ZINC000134072908 1137937016 /nfs/dbraw/zinc/93/70/16/1137937016.db2.gz FYQXFWQMHWBNIQ-HNNXBMFYSA-N -1 1 348.402 3.896 20 10 EHCDMM O=C([O-])C1CC[NH+](Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000740482119 596914810 /nfs/dbraw/zinc/91/48/10/596914810.db2.gz CLPJVAMRMQSDNF-UHFFFAOYSA-N -1 1 325.364 3.588 20 10 EHCDMM O=C([O-])C[C@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000739638886 599840267 /nfs/dbraw/zinc/84/02/67/599840267.db2.gz DKVLUSITXVEPMW-CYBMUJFWSA-N -1 1 343.423 3.846 20 10 EHCDMM O=C([O-])C[C@H]1CCCC[N@H+]1Cc1c2c(ccc1[O-])oc1c2CCCC1 ZINC000739638886 599840268 /nfs/dbraw/zinc/84/02/68/599840268.db2.gz DKVLUSITXVEPMW-CYBMUJFWSA-N -1 1 343.423 3.846 20 10 EHCDMM C[C@H](NC(=O)[O-])c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000825402481 604413429 /nfs/dbraw/zinc/41/34/29/604413429.db2.gz MIJQKVOVIURHEW-NSHDSACASA-N -1 1 334.803 3.664 20 10 EHCDMM CC(C)[C@H]1CCC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728198635 1014947701 /nfs/dbraw/zinc/94/77/01/1014947701.db2.gz OUDKBYNPHDXWQQ-GOSISDBHSA-N -1 1 339.435 3.949 20 10 EHCDMM CC(C)[C@H]1CCC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728198635 1014947713 /nfs/dbraw/zinc/94/77/13/1014947713.db2.gz OUDKBYNPHDXWQQ-GOSISDBHSA-N -1 1 339.435 3.949 20 10 EHCDMM Cc1sc(CC(=O)NCc2cccc(Cl)c2[O-])nc1C(C)C ZINC000890759482 1016381610 /nfs/dbraw/zinc/38/16/10/1016381610.db2.gz LFNRKSKKDSQDAR-UHFFFAOYSA-N -1 1 338.860 3.793 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CSC[C@H]1c1ccccc1 ZINC000890761365 1016383707 /nfs/dbraw/zinc/38/37/07/1016383707.db2.gz POCTUVBTXYIRIT-LSDHHAIUSA-N -1 1 347.867 3.809 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1[C@@H]2c3cccc(Cl)c3C[C@H]12 ZINC000890761090 1016390089 /nfs/dbraw/zinc/39/00/89/1016390089.db2.gz KMLUDFNLOQNWFI-APHBMKBZSA-N -1 1 348.229 3.901 20 10 EHCDMM Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1O ZINC000148640931 1032844309 /nfs/dbraw/zinc/84/43/09/1032844309.db2.gz ZXCQGKKDGODUFK-UHFFFAOYSA-N -1 1 332.208 3.808 20 10 EHCDMM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000276541011 1021686301 /nfs/dbraw/zinc/68/63/01/1021686301.db2.gz GGRWRRVYSAVCTE-STQMWFEESA-N -1 1 329.371 3.564 20 10 EHCDMM Cc1cc(C=C2SC(=S)[N-]C2=O)ccc1Oc1cccnc1 ZINC000171981024 1034742390 /nfs/dbraw/zinc/74/23/90/1034742390.db2.gz ZSGCFPAXMPDQSR-RIYZIHGNSA-N -1 1 328.418 3.671 20 10 EHCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2ccc(Cl)nc2)c1[O-] ZINC000177208101 1034838549 /nfs/dbraw/zinc/83/85/49/1034838549.db2.gz LFEOLBWPMRJTPT-UHFFFAOYSA-N -1 1 339.222 3.929 20 10 EHCDMM C[C@@H]1SCCN(Cc2cc(Br)cc(F)c2[O-])[C@H]1C ZINC001180198489 1133348464 /nfs/dbraw/zinc/34/84/64/1133348464.db2.gz BPNSUVZJNSWNSZ-IUCAKERBSA-N -1 1 334.254 3.620 20 10 EHCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000764756383 1127528553 /nfs/dbraw/zinc/52/85/53/1127528553.db2.gz BHHSLBSKMJNNRP-LLVKDONJSA-N -1 1 349.228 3.715 20 10 EHCDMM C[C@H](CCC1CC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764803670 1127535777 /nfs/dbraw/zinc/53/57/77/1127535777.db2.gz FKRGUPLAEVSPRX-SNVBAGLBSA-N -1 1 341.249 3.533 20 10 EHCDMM [O-]c1c(Br)cccc1CNc1ncnc2c1CCCCC2 ZINC000764932898 1127555314 /nfs/dbraw/zinc/55/53/14/1127555314.db2.gz ACHLWRVQXQGJDR-UHFFFAOYSA-N -1 1 348.244 3.826 20 10 EHCDMM C[C@H]1CC[C@@H](CC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765731202 1127749336 /nfs/dbraw/zinc/74/93/36/1127749336.db2.gz ZGHLNLXJORPICW-WDEREUQCSA-N -1 1 326.234 3.597 20 10 EHCDMM CC[C@@H](C)[C@H](NC(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC001670803952 1120265355 /nfs/dbraw/zinc/26/53/55/1120265355.db2.gz FUUCDBHAAQPMJB-PELKAZGASA-N -1 1 338.757 3.822 20 10 EHCDMM CCN(CC)c1ccc(CNC(=O)c2c([O-])cccc2Cl)cc1 ZINC000920453647 1123371032 /nfs/dbraw/zinc/37/10/32/1123371032.db2.gz DIDVLHYDJKBBKQ-UHFFFAOYSA-N -1 1 332.831 3.822 20 10 EHCDMM Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)ccc1O ZINC000182478559 1125313735 /nfs/dbraw/zinc/31/37/35/1125313735.db2.gz UMWJEEDODBIGTR-UHFFFAOYSA-N -1 1 349.305 3.659 20 10 EHCDMM O=C1c2ccccc2N[C@@H](c2cc(Cl)cc(F)c2[O-])N1C1CC1 ZINC000768265255 1133119530 /nfs/dbraw/zinc/11/95/30/1133119530.db2.gz ANSFDMZUFVJVRW-MRXNPFEDSA-N -1 1 332.762 3.914 20 10 EHCDMM [O-]c1ccc(Cl)cc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000775153230 1134401125 /nfs/dbraw/zinc/40/11/25/1134401125.db2.gz RYEQDFCHXMXDKS-UHFFFAOYSA-N -1 1 342.620 3.804 20 10 EHCDMM CC(=O)N1CCc2c1cccc2NCc1c([O-])ccc(Cl)c1F ZINC000790992217 1134490210 /nfs/dbraw/zinc/49/02/10/1134490210.db2.gz VJNCXLLQKLUPOC-UHFFFAOYSA-N -1 1 334.778 3.706 20 10 EHCDMM CCCCCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OC ZINC000747033366 1134590221 /nfs/dbraw/zinc/59/02/21/1134590221.db2.gz QPOZPUGENCHMTQ-GXDHUFHOSA-N -1 1 337.466 3.753 20 10 EHCDMM Cc1ccc(Cl)c2ccc(NCC(=O)c3ccc([O-])c(O)c3)nc12 ZINC001170315909 1134745266 /nfs/dbraw/zinc/74/52/66/1134745266.db2.gz JTMHGWAVPFVIRP-UHFFFAOYSA-N -1 1 342.782 3.903 20 10 EHCDMM Cc1ccc(CN(CCO)Cc2cc(Cl)cc(Cl)c2[O-])o1 ZINC000793364652 1134911716 /nfs/dbraw/zinc/91/17/16/1134911716.db2.gz FMPKQCMGECVLCP-UHFFFAOYSA-N -1 1 330.211 3.595 20 10 EHCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](c3ccccc3)C2)c1[O-] ZINC000748050472 1136689513 /nfs/dbraw/zinc/68/95/13/1136689513.db2.gz DERJTKNMIGTBJT-GOSISDBHSA-N -1 1 345.826 3.822 20 10 EHCDMM O=C1OCCN1c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816523094 1136733010 /nfs/dbraw/zinc/73/30/10/1136733010.db2.gz CLEYSGBKGUGCJF-UHFFFAOYSA-N -1 1 336.750 3.753 20 10 EHCDMM C[C@@H](NC(=O)c1ccc(C(F)(F)F)c([O-])c1)c1ccccc1O ZINC001171722703 1137505984 /nfs/dbraw/zinc/50/59/84/1137505984.db2.gz BEDIMUPELFAXHQ-SECBINFHSA-N -1 1 325.286 3.608 20 10 EHCDMM [O-]c1c(F)cc(F)cc1CNc1cccc(OC[C@@H]2CCCO2)c1 ZINC000883001142 1137841258 /nfs/dbraw/zinc/84/12/58/1137841258.db2.gz VZACSTBWMGVESO-INIZCTEOSA-N -1 1 335.350 3.840 20 10 EHCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(OC[C@H]2CCCO2)cc1 ZINC000883001353 1137841277 /nfs/dbraw/zinc/84/12/77/1137841277.db2.gz BQELKGCVIWEOMR-MRXNPFEDSA-N -1 1 335.350 3.840 20 10 EHCDMM CCN1C(=O)CCc2cc(NCc3cc(F)cc(F)c3[O-])ccc21 ZINC000883087790 1137844152 /nfs/dbraw/zinc/84/41/52/1137844152.db2.gz IQXFIFIJFAHQSV-UHFFFAOYSA-N -1 1 332.350 3.582 20 10 EHCDMM CC[C@@H](Nc1cccc2c1N(C)C(=O)CO2)c1cccc(Cl)c1[O-] ZINC000883398914 1137859755 /nfs/dbraw/zinc/85/97/55/1137859755.db2.gz YFTJITDPAOYRHT-CYBMUJFWSA-N -1 1 346.814 3.964 20 10 EHCDMM C[C@@H](N[C@@H](C)c1c([O-])cccc1F)c1noc(Cc2ccccc2)n1 ZINC000886536257 1138092643 /nfs/dbraw/zinc/09/26/43/1138092643.db2.gz DTHXINDEVVXOHP-QWHCGFSZSA-N -1 1 341.386 3.917 20 10 EHCDMM CCN(CC(=O)Nc1ccccc1OC)Cc1cccc(Cl)c1[O-] ZINC000183373578 1140033635 /nfs/dbraw/zinc/03/36/35/1140033635.db2.gz UWWFHCUVPCXJQC-UHFFFAOYSA-N -1 1 348.830 3.515 20 10 EHCDMM CC(C)(NCc1cccc(Cl)c1[O-])c1cn(-c2ccccc2)nn1 ZINC000182647161 1032114619 /nfs/dbraw/zinc/11/46/19/1032114619.db2.gz DSXMAPLTDNWFTA-UHFFFAOYSA-N -1 1 342.830 3.651 20 10 EHCDMM O=C(CCC[C@@H](O)c1ccccc1)NCc1cccc(Cl)c1[O-] ZINC000890760950 1016388916 /nfs/dbraw/zinc/38/89/16/1016388916.db2.gz GGNRMLKSTFHXSS-MRXNPFEDSA-N -1 1 333.815 3.566 20 10 EHCDMM O=C(CCCc1ccc(Cl)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783042156 1018088433 /nfs/dbraw/zinc/08/84/33/1018088433.db2.gz WSHCQNWBHAGMAH-UHFFFAOYSA-N -1 1 348.782 3.500 20 10 EHCDMM [O-]c1cc(Cl)ccc1CN1Cc2cc(Br)cnc2C1 ZINC001140466115 1022376227 /nfs/dbraw/zinc/37/62/27/1022376227.db2.gz XOSXKPVPMPRKEY-UHFFFAOYSA-N -1 1 339.620 3.719 20 10 EHCDMM [O-]c1c(Cl)cccc1CNc1cc(Cl)nc([C@@H]2CCCO2)n1 ZINC000897391790 1032026045 /nfs/dbraw/zinc/02/60/45/1032026045.db2.gz ASBMCBDFQUWZRH-NSHDSACASA-N -1 1 340.210 3.953 20 10 EHCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000123713462 1040930348 /nfs/dbraw/zinc/93/03/48/1040930348.db2.gz BPFAMPGZEQBYHC-PWSUYJOCSA-N -1 1 344.160 3.587 20 10 EHCDMM [O-]c1c(Br)cccc1CNc1ncc(Cl)cc1F ZINC000764935485 1127555757 /nfs/dbraw/zinc/55/57/57/1127555757.db2.gz VBNYVHCHZPYOEQ-UHFFFAOYSA-N -1 1 331.572 3.954 20 10 EHCDMM CC(C)(C(=O)NCc1cccc(Br)c1[O-])C1CCCC1 ZINC000765728422 1127746960 /nfs/dbraw/zinc/74/69/60/1127746960.db2.gz RMJRGUZHAQKUDL-UHFFFAOYSA-N -1 1 340.261 3.987 20 10 EHCDMM Cc1ccccc1CCC(=O)NCc1cccc(Br)c1[O-] ZINC000765730495 1127747940 /nfs/dbraw/zinc/74/79/40/1127747940.db2.gz VYKAFWBLEUKQIG-UHFFFAOYSA-N -1 1 348.240 3.712 20 10 EHCDMM O=C(CCCc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765733209 1127750618 /nfs/dbraw/zinc/75/06/18/1127750618.db2.gz VJNXLSFILSWAPH-UHFFFAOYSA-N -1 1 348.240 3.794 20 10 EHCDMM CC(C)c1ccc(C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765752707 1127766029 /nfs/dbraw/zinc/76/60/29/1127766029.db2.gz ZCHOMSBSDYXDBS-UHFFFAOYSA-N -1 1 349.228 3.603 20 10 EHCDMM Cc1ccncc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001174118854 1132243360 /nfs/dbraw/zinc/24/33/60/1132243360.db2.gz QYAJLZVBAHRUPS-UHFFFAOYSA-N -1 1 330.343 3.615 20 10 EHCDMM O=C1c2ccccc2C(=O)c2cc(Nc3ccc(O)c(F)c3)c([O-])cc21 ZINC001174738367 1132455354 /nfs/dbraw/zinc/45/53/54/1132455354.db2.gz ZFZOVRXVLZYPJA-UHFFFAOYSA-N -1 1 349.317 3.756 20 10 EHCDMM O=C1c2ccccc2C(=O)c2cc(Nc3ccc(O)cc3F)c([O-])cc21 ZINC001176414612 1132933221 /nfs/dbraw/zinc/93/32/21/1132933221.db2.gz YTRNBTSNJDYLKK-UHFFFAOYSA-N -1 1 349.317 3.756 20 10 EHCDMM C[C@@H](NCc1cc([N+](=O)[O-])ccc1[O-])c1nc2ccccc2s1 ZINC001177894861 1133110062 /nfs/dbraw/zinc/11/00/62/1133110062.db2.gz XZZNLCMLGZZCOV-SNVBAGLBSA-N -1 1 329.381 3.761 20 10 EHCDMM Cc1cc(NCc2cc(F)cc(F)c2[O-])nn1-c1cccc(F)c1 ZINC001178326291 1133160263 /nfs/dbraw/zinc/16/02/63/1133160263.db2.gz ICSDLRLNINVLMF-UHFFFAOYSA-N -1 1 333.313 3.916 20 10 EHCDMM CNc1ccc(Cl)c(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001180410402 1133371466 /nfs/dbraw/zinc/37/14/66/1133371466.db2.gz PIDHRNFTRBHMSN-UHFFFAOYSA-N -1 1 325.195 3.671 20 10 EHCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000790335667 1134405236 /nfs/dbraw/zinc/40/52/36/1134405236.db2.gz ILQFRDHVVJXTEZ-UHFFFAOYSA-N -1 1 349.305 3.659 20 10 EHCDMM Cc1cc(C)cc(C(=O)c2ccccc2[N-]S(=O)(=O)C2CCC2)c1 ZINC001188144858 1134433892 /nfs/dbraw/zinc/43/38/92/1134433892.db2.gz UFDHAARMPDODTJ-UHFFFAOYSA-N -1 1 343.448 3.829 20 10 EHCDMM O=C(Nc1cc(Cl)cc2ncoc21)c1ccc(O)c([O-])c1Cl ZINC001193228952 1135119911 /nfs/dbraw/zinc/11/99/11/1135119911.db2.gz BQVQOIXGMIBFNB-UHFFFAOYSA-N -1 1 339.134 3.798 20 10 EHCDMM C[C@@H]1COCCN1c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000775758399 1135644266 /nfs/dbraw/zinc/64/42/66/1135644266.db2.gz QZTPRHPECKSUSQ-CYBMUJFWSA-N -1 1 332.831 3.883 20 10 EHCDMM COCCN(Cc1ccccn1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809735165 1135873528 /nfs/dbraw/zinc/87/35/28/1135873528.db2.gz ZYGLJWQUVLEBOB-UHFFFAOYSA-N -1 1 341.238 3.743 20 10 EHCDMM Cn1cnc(-c2cccc(NCc3cc(Cl)cc(F)c3[O-])c2)n1 ZINC000775972119 1135906647 /nfs/dbraw/zinc/90/66/47/1135906647.db2.gz BNXXCYPZCCLSPJ-UHFFFAOYSA-N -1 1 332.766 3.592 20 10 EHCDMM COc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC001201799797 1136063677 /nfs/dbraw/zinc/06/36/77/1136063677.db2.gz ZEURYORFTQQADX-UHFFFAOYSA-N -1 1 349.452 3.744 20 10 EHCDMM [O-]c1c(Br)cccc1CNc1ccc2c(c1)CCOC2 ZINC000850381324 1136246628 /nfs/dbraw/zinc/24/66/28/1136246628.db2.gz BDAPZFXTRVDGPR-UHFFFAOYSA-N -1 1 334.213 3.840 20 10 EHCDMM O=C([O-])CCCCCCC[NH2+]Cc1c([O-])cccc1Br ZINC000864504987 1137230582 /nfs/dbraw/zinc/23/05/82/1137230582.db2.gz VXVHQRSKZNHGLV-UHFFFAOYSA-N -1 1 344.249 3.670 20 10 EHCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(SCCCO)cc1 ZINC000883062923 1137843179 /nfs/dbraw/zinc/84/31/79/1137843179.db2.gz WRIWCKRVVAXIAQ-UHFFFAOYSA-N -1 1 325.380 3.757 20 10 EHCDMM CCn1nc(C)c(NCc2cc(Br)cc(F)c2[O-])c1C ZINC000883073697 1137843593 /nfs/dbraw/zinc/84/35/93/1137843593.db2.gz YBPROFBMEYNQCA-UHFFFAOYSA-N -1 1 342.212 3.739 20 10 EHCDMM Cc1cc(NCc2cc(F)cc(F)c2[O-])ccc1C(=O)NC(C)C ZINC000883142203 1137846287 /nfs/dbraw/zinc/84/62/87/1137846287.db2.gz BFJMODHGBSYEMN-UHFFFAOYSA-N -1 1 334.366 3.729 20 10 EHCDMM C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ncccc1[O-] ZINC000134073119 1137937025 /nfs/dbraw/zinc/93/70/25/1137937025.db2.gz FYQXFWQMHWBNIQ-OAHLLOKOSA-N -1 1 348.402 3.896 20 10 EHCDMM C[C@@H](N[C@@H](CCO)C(F)(F)F)c1cc(Cl)c(Cl)cc1[O-] ZINC000886801203 1138143949 /nfs/dbraw/zinc/14/39/49/1138143949.db2.gz JQYGPOKEULWXIZ-KBUNVGBDSA-N -1 1 332.149 3.663 20 10 EHCDMM CC(C)(C)n1nc(C(=O)NCc2cccc(Cl)c2[O-])cc1C1CC1 ZINC000890758149 1016371763 /nfs/dbraw/zinc/37/17/63/1016371763.db2.gz RSYQQELAGSJERC-UHFFFAOYSA-N -1 1 347.846 3.805 20 10 EHCDMM COc1ccc([C@H](C)CC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890760570 1016384067 /nfs/dbraw/zinc/38/40/67/1016384067.db2.gz UCMQWVXRIOBHHA-GFCCVEGCSA-N -1 1 333.815 3.864 20 10 EHCDMM Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000276541002 1021684959 /nfs/dbraw/zinc/68/49/59/1021684959.db2.gz GGRWRRVYSAVCTE-CHWSQXEVSA-N -1 1 329.371 3.564 20 10 EHCDMM O=[N+]([O-])c1cc(F)ccc1NCc1cccc(Br)c1[O-] ZINC000048796009 1022894594 /nfs/dbraw/zinc/89/45/94/1022894594.db2.gz HPWAGLJELPTSNC-UHFFFAOYSA-N -1 1 341.136 3.814 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCSC2(CCC2)C1 ZINC000896707093 1025880752 /nfs/dbraw/zinc/88/07/52/1025880752.db2.gz WKJMHTFRRZBNGK-GFCCVEGCSA-N -1 1 340.876 3.663 20 10 EHCDMM CCCO[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708075050 1026698574 /nfs/dbraw/zinc/69/85/74/1026698574.db2.gz IENMXVNLWZUVKP-GFCCVEGCSA-N -1 1 348.668 3.809 20 10 EHCDMM Cc1noc(C2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)n1 ZINC000091835650 1030317497 /nfs/dbraw/zinc/31/74/97/1030317497.db2.gz STQCUWUTEMZNQK-UHFFFAOYSA-N -1 1 342.226 3.770 20 10 EHCDMM CC(C)c1csc(CNC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC000893709790 1039000292 /nfs/dbraw/zinc/00/02/92/1039000292.db2.gz WZOXQCPFWMFGGV-UHFFFAOYSA-N -1 1 339.848 3.625 20 10 EHCDMM O=C(CCC1CCCC1)NCc1cccc(Br)c1[O-] ZINC000765726375 1127744319 /nfs/dbraw/zinc/74/43/19/1127744319.db2.gz GNICEUHQVMSLOF-UHFFFAOYSA-N -1 1 326.234 3.741 20 10 EHCDMM O=C(/C=C\c1ccsc1)NCc1cccc(Br)c1[O-] ZINC000765728417 1127747220 /nfs/dbraw/zinc/74/72/20/1127747220.db2.gz RJQGMHWYXQTOOQ-PLNGDYQASA-N -1 1 338.226 3.546 20 10 EHCDMM C[C@@H](CC1CCCC1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765747608 1127765920 /nfs/dbraw/zinc/76/59/20/1127765920.db2.gz PXTRLMBUCGKHTD-NSHDSACASA-N -1 1 340.261 3.987 20 10 EHCDMM O=C(/C=C/c1cccs1)NCc1cccc(Br)c1[O-] ZINC000765751564 1127766472 /nfs/dbraw/zinc/76/64/72/1127766472.db2.gz GKKPVHYHVZVHSO-VOTSOKGWSA-N -1 1 338.226 3.546 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])c1csc(Cl)c1 ZINC000765767442 1128071831 /nfs/dbraw/zinc/07/18/31/1128071831.db2.gz ZSQSMSHSCFNAMB-UHFFFAOYSA-N -1 1 346.633 3.800 20 10 EHCDMM Cn1cccc1[C@@H]1CCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000179705822 1123828725 /nfs/dbraw/zinc/82/87/25/1123828725.db2.gz HIKNBSFUDHDJGT-AWEZNQCLSA-N -1 1 335.791 3.629 20 10 EHCDMM COc1cc(-c2ccccc2)ccc1C=C1SC(=S)[N-]C1=O ZINC000180202794 1123960685 /nfs/dbraw/zinc/96/06/85/1123960685.db2.gz SIZIISXPSHYZPR-GDNBJRDFSA-N -1 1 327.430 3.851 20 10 EHCDMM O=C(NCCCSc1nccs1)c1ccc2ccccc2c1[O-] ZINC000736680405 1131430728 /nfs/dbraw/zinc/43/07/28/1131430728.db2.gz KWFASTNILYXOKD-UHFFFAOYSA-N -1 1 344.461 3.914 20 10 EHCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cccc(O)c3)c([O-])cc21 ZINC001174894614 1132496536 /nfs/dbraw/zinc/49/65/36/1132496536.db2.gz SYQGJHMNDZMMOC-UHFFFAOYSA-N -1 1 331.327 3.617 20 10 EHCDMM Cc1c2ccccc2n(C)c1CNc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001179307782 1133242015 /nfs/dbraw/zinc/24/20/15/1133242015.db2.gz CFWNIJJYTGSPOC-UHFFFAOYSA-N -1 1 332.407 3.990 20 10 EHCDMM Cc1ccc(N2CCNC2=O)cc1NCc1c([O-])ccc(Cl)c1F ZINC000785557288 1133721094 /nfs/dbraw/zinc/72/10/94/1133721094.db2.gz STODKIIAKXWODH-UHFFFAOYSA-N -1 1 349.793 3.635 20 10 EHCDMM COc1ccccc1-c1cc(C[NH2+]Cc2cc(F)c(F)cc2O)on1 ZINC001183074412 1133761724 /nfs/dbraw/zinc/76/17/24/1133761724.db2.gz GDIDZGYHVNOSDK-UHFFFAOYSA-N -1 1 346.333 3.624 20 10 EHCDMM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(F)c2ccccc21 ZINC001189349042 1134579368 /nfs/dbraw/zinc/57/93/68/1134579368.db2.gz SSFLGANGCWUMSW-UHFFFAOYSA-N -1 1 345.351 3.508 20 10 EHCDMM CC(=O)c1cc([N-]S(=O)(=O)c2cccc(C(C)C)c2)ccc1O ZINC001195156082 1135383020 /nfs/dbraw/zinc/38/30/20/1135383020.db2.gz GTBUOGNTSUJFBW-UHFFFAOYSA-N -1 1 333.409 3.519 20 10 EHCDMM [O-]c1c(F)cc(Cl)cc1CN1CCC[C@H](OCC(F)(F)F)C1 ZINC000775653769 1135419138 /nfs/dbraw/zinc/41/91/38/1135419138.db2.gz BGCYJZPVYZJXFN-NSHDSACASA-N -1 1 341.732 3.728 20 10 EHCDMM CC(=O)c1cc(Cl)cc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC000810026895 1135911413 /nfs/dbraw/zinc/91/14/13/1135911413.db2.gz XNHZGYNDYVNJAE-RDJZCZTQSA-N -1 1 337.847 3.638 20 10 EHCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@H](c3ccccc3)C2)c1[O-] ZINC000748050473 1136689732 /nfs/dbraw/zinc/68/97/32/1136689732.db2.gz DERJTKNMIGTBJT-SFHVURJKSA-N -1 1 345.826 3.822 20 10 EHCDMM C[S@](=O)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1F ZINC000816527285 1136734142 /nfs/dbraw/zinc/73/41/42/1136734142.db2.gz DGIYAJDYVYYSDW-NRFANRHFSA-N -1 1 331.771 3.673 20 10 EHCDMM Cc1cc(C)c(CNC(=O)c2ccc(C(F)(F)F)cc2[O-])c(O)c1 ZINC001148805718 1137435258 /nfs/dbraw/zinc/43/52/58/1137435258.db2.gz DBAQLSXYEOUNAF-UHFFFAOYSA-N -1 1 339.313 3.663 20 10 EHCDMM O=C1N[C@@H](c2cc(Cl)c(F)cc2[O-])Nc2cccc(Cl)c21 ZINC000877855336 1137693611 /nfs/dbraw/zinc/69/36/11/1137693611.db2.gz XBROKPNPNGCKNC-ZDUSSCGKSA-N -1 1 327.142 3.692 20 10 EHCDMM CC(=O)N(Cc1ccc(NCc2cc(F)cc(F)c2[O-])cc1)C1CC1 ZINC000883066411 1137843366 /nfs/dbraw/zinc/84/33/66/1137843366.db2.gz VUOJIYABZQHBNC-UHFFFAOYSA-N -1 1 346.377 3.793 20 10 EHCDMM C[C@@H](Nc1cccc([C@@]2(C)COC(=O)N2)c1)c1cc(F)cc(F)c1[O-] ZINC000883329903 1137855321 /nfs/dbraw/zinc/85/53/21/1137855321.db2.gz UDSIAIABIFWQKH-MLCYQJTMSA-N -1 1 348.349 3.799 20 10 EHCDMM CC(C)c1nnc(NCc2cccc(Br)c2[O-])s1 ZINC000181563412 1139915513 /nfs/dbraw/zinc/91/55/13/1139915513.db2.gz UUAOLHBUIRLCGH-UHFFFAOYSA-N -1 1 328.235 3.742 20 10 EHCDMM O=C([O-])C[C@H]1CCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000833211231 979119144 /nfs/dbraw/zinc/11/91/44/979119144.db2.gz WGMOYYYRKNVFST-CYBMUJFWSA-N -1 1 325.364 3.731 20 10 EHCDMM O=C([O-])C[C@H]1CCC[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000833211231 979119147 /nfs/dbraw/zinc/11/91/47/979119147.db2.gz WGMOYYYRKNVFST-CYBMUJFWSA-N -1 1 325.364 3.731 20 10 EHCDMM CC[C@H]1CCC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000728196931 1014942578 /nfs/dbraw/zinc/94/25/78/1014942578.db2.gz YSFOKAHVEAXKAM-HNNXBMFYSA-N -1 1 339.435 3.951 20 10 EHCDMM CC[C@H]1CCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000728196931 1014942588 /nfs/dbraw/zinc/94/25/88/1014942588.db2.gz YSFOKAHVEAXKAM-HNNXBMFYSA-N -1 1 339.435 3.951 20 10 EHCDMM Cc1ccc(C(=O)CCC(=O)NCc2cccc(Cl)c2[O-])s1 ZINC000890757483 1016366684 /nfs/dbraw/zinc/36/66/84/1016366684.db2.gz FGSMJINFNFMAND-UHFFFAOYSA-N -1 1 337.828 3.695 20 10 EHCDMM COc1ccc([C@@H]2C[C@H]2CC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890760876 1016387228 /nfs/dbraw/zinc/38/72/28/1016387228.db2.gz CNUBVYXZQILRQA-HOCLYGCPSA-N -1 1 345.826 3.864 20 10 EHCDMM O=C1[N-]C(=S)S/C1=C/c1ccc(Cl)cc1Br ZINC000255370195 1022089237 /nfs/dbraw/zinc/08/92/37/1022089237.db2.gz ZTAIJRKUHOYBRJ-FPYGCLRLSA-N -1 1 334.647 3.591 20 10 EHCDMM C[C@H](c1cccnc1)[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894448309 1022295959 /nfs/dbraw/zinc/29/59/59/1022295959.db2.gz FMKGTWVLSZTCKV-SNVBAGLBSA-N -1 1 339.208 3.882 20 10 EHCDMM COC(=O)[C@H](C)Cc1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000894464786 1022328047 /nfs/dbraw/zinc/32/80/47/1022328047.db2.gz SMIWKHWNMYJAJH-LLVKDONJSA-N -1 1 335.350 3.634 20 10 EHCDMM CC(=O)OCCCc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000894473833 1022362703 /nfs/dbraw/zinc/36/27/03/1022362703.db2.gz GZYUFIQPHMUWTO-UHFFFAOYSA-N -1 1 335.350 3.778 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CCCC(F)(F)C1 ZINC000894613698 1022617601 /nfs/dbraw/zinc/61/76/01/1022617601.db2.gz PZANZPNQWKBTIB-JTQLQIEISA-N -1 1 332.778 3.670 20 10 EHCDMM COc1ccc(NCc2cccc(Br)c2[O-])c(OC)c1 ZINC000048794594 1022836509 /nfs/dbraw/zinc/83/65/09/1022836509.db2.gz YUBNYGRHYRMLKM-UHFFFAOYSA-N -1 1 338.201 3.784 20 10 EHCDMM [O-]c1c(Br)cc(Br)cc1CN1CCCCC1 ZINC000196375563 1028677312 /nfs/dbraw/zinc/67/73/12/1028677312.db2.gz GMWVBKZIPKNHKE-UHFFFAOYSA-N -1 1 349.066 3.903 20 10 EHCDMM CC(C)(C)c1nnc(NCc2cc(Br)cc(F)c2[O-])o1 ZINC000905407254 1038866283 /nfs/dbraw/zinc/86/62/83/1038866283.db2.gz CKICEFXQBSMJMM-UHFFFAOYSA-N -1 1 344.184 3.586 20 10 EHCDMM CCCCC[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764758625 1127529631 /nfs/dbraw/zinc/52/96/31/1127529631.db2.gz SCDXKPSWVVHYGR-LLVKDONJSA-N -1 1 343.265 3.923 20 10 EHCDMM C[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])C(C)(C)C ZINC000764783322 1127530839 /nfs/dbraw/zinc/53/08/39/1127530839.db2.gz KKHPRARFBLTVRH-JTQLQIEISA-N -1 1 343.265 3.636 20 10 EHCDMM Cc1cc(F)cc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765746434 1127763794 /nfs/dbraw/zinc/76/37/94/1127763794.db2.gz GRDSEEIYWOABQZ-UHFFFAOYSA-N -1 1 338.176 3.532 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])C1CCCCCC1 ZINC000765750221 1127765479 /nfs/dbraw/zinc/76/54/79/1127765479.db2.gz CESKRNZKOFNECT-UHFFFAOYSA-N -1 1 326.234 3.741 20 10 EHCDMM C[C@@H]1CCCC[C@@H]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765754782 1127798965 /nfs/dbraw/zinc/79/89/65/1127798965.db2.gz WOZJLTZYDVJFHH-VXGBXAGGSA-N -1 1 340.261 3.987 20 10 EHCDMM C[S@](=O)Cc1ccccc1NCc1cc(Cl)cc(F)c1[O-] ZINC000762791617 1121444149 /nfs/dbraw/zinc/44/41/49/1121444149.db2.gz RLBZOPCRTZLXNI-NRFANRHFSA-N -1 1 327.808 3.675 20 10 EHCDMM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc([O-])c(F)c1 ZINC000767305808 1132981108 /nfs/dbraw/zinc/98/11/08/1132981108.db2.gz PWFBQPWYOCMNIY-UHFFFAOYSA-N -1 1 330.403 3.648 20 10 EHCDMM O=C(COCc1cccc(Cl)c1)NCc1cccc(Cl)c1[O-] ZINC001180410858 1133371670 /nfs/dbraw/zinc/37/16/70/1133371670.db2.gz SVQBMZXMHAJVQM-UHFFFAOYSA-N -1 1 340.206 3.532 20 10 EHCDMM CN1C(=O)C2(CCCC2)N[C@@H]1c1cc(Cl)c2ccccc2c1[O-] ZINC000774545985 1133730525 /nfs/dbraw/zinc/73/05/25/1133730525.db2.gz DXYSWEYHTHYDHX-INIZCTEOSA-N -1 1 330.815 3.572 20 10 EHCDMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)c1c(F)cccc1Cl ZINC001182902970 1133747440 /nfs/dbraw/zinc/74/74/40/1133747440.db2.gz QRSWQVILKZJCGG-SSDOTTSWSA-N -1 1 327.714 3.520 20 10 EHCDMM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)c1c(F)ccc(O)c1O ZINC000789994329 1134356267 /nfs/dbraw/zinc/35/62/67/1134356267.db2.gz CGSXIDXELPGTQI-UHFFFAOYSA-N -1 1 332.114 3.502 20 10 EHCDMM Cc1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)c(C)c(C)c1O ZINC000775289955 1134619348 /nfs/dbraw/zinc/61/93/48/1134619348.db2.gz WTWUNBVSZVYRAI-UHFFFAOYSA-N -1 1 348.449 3.728 20 10 EHCDMM CCC[C@](C)(CC)C(=O)NCc1cccc(Br)c1[O-] ZINC000793968043 1135008742 /nfs/dbraw/zinc/00/87/42/1135008742.db2.gz HOHAIECDSZROFL-HNNXBMFYSA-N -1 1 328.250 3.987 20 10 EHCDMM CC[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)c1ccccc1OC ZINC001193247077 1135117982 /nfs/dbraw/zinc/11/79/82/1135117982.db2.gz JYFUNZYCSWMJCK-LBPRGKRZSA-N -1 1 335.787 3.641 20 10 EHCDMM CCN(CC)c1ccc(CN(C)C(=O)c2cccc([O-])c2F)cc1 ZINC001135946587 1136821074 /nfs/dbraw/zinc/82/10/74/1136821074.db2.gz YGUBQLMRMMITAO-UHFFFAOYSA-N -1 1 330.403 3.650 20 10 EHCDMM CC(C)Oc1ccc([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000825425456 1137177498 /nfs/dbraw/zinc/17/74/98/1137177498.db2.gz XWSPZHDFIPJULV-NSHDSACASA-N -1 1 333.359 3.515 20 10 EHCDMM O=C1[N-]C(=O)C(=Cc2ccc3c(c2)CCN3Cc2ccccc2)S1 ZINC000874927592 1137626428 /nfs/dbraw/zinc/62/64/28/1137626428.db2.gz FFHMHSZJLWRCBS-BOPFTXTBSA-N -1 1 336.416 3.573 20 10 EHCDMM CCc1cc(CNCc2cc(Cl)cc(Br)c2[O-])on1 ZINC000883017155 1137841781 /nfs/dbraw/zinc/84/17/81/1137841781.db2.gz YWTPBCRNCFSWKS-UHFFFAOYSA-N -1 1 345.624 3.648 20 10 EHCDMM C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])[C@@H](C(=O)[O-])c1ccccc1 ZINC000833694932 604644945 /nfs/dbraw/zinc/64/49/45/604644945.db2.gz VGRZFQISGUVABY-CQSZACIVSA-N -1 1 340.206 3.957 20 10 EHCDMM CC[C@](C)(C(=O)[O-])[N@@H+](Cc1cc(Cl)c(C)cc1[O-])CC1CC1 ZINC001594788184 981833321 /nfs/dbraw/zinc/83/33/21/981833321.db2.gz UFKAHNVMGPBHHX-QGZVFWFLSA-N -1 1 325.836 3.819 20 10 EHCDMM CC[C@](C)(C(=O)[O-])[N@H+](Cc1cc(Cl)c(C)cc1[O-])CC1CC1 ZINC001594788184 981833335 /nfs/dbraw/zinc/83/33/35/981833335.db2.gz UFKAHNVMGPBHHX-QGZVFWFLSA-N -1 1 325.836 3.819 20 10 EHCDMM CC1=CCC[C@H](C)[C@H]1C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001594113637 998227867 /nfs/dbraw/zinc/22/78/67/998227867.db2.gz OQHYMBKQOBYSFS-BBRMVZONSA-N -1 1 337.847 3.925 20 10 EHCDMM CC1=CCC[C@H](C)[C@H]1C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001594113637 998227882 /nfs/dbraw/zinc/22/78/82/998227882.db2.gz OQHYMBKQOBYSFS-BBRMVZONSA-N -1 1 337.847 3.925 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccn(C2CCCCC2)n1 ZINC000890759771 1016381786 /nfs/dbraw/zinc/38/17/86/1016381786.db2.gz QYAPCQHQPAAFDH-UHFFFAOYSA-N -1 1 333.819 3.677 20 10 EHCDMM CCC(CC)n1nc(C(=O)NCc2cccc(Cl)c2[O-])cc1C ZINC000890760511 1016384589 /nfs/dbraw/zinc/38/45/89/1016384589.db2.gz RQIBSWMMGQCVHF-UHFFFAOYSA-N -1 1 335.835 3.842 20 10 EHCDMM Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2c([O-])c(O)ccc2F)C1 ZINC000276541005 1021685054 /nfs/dbraw/zinc/68/50/54/1021685054.db2.gz GGRWRRVYSAVCTE-OLZOCXBDSA-N -1 1 329.371 3.564 20 10 EHCDMM CCC(=O)N1CCc2ccc(NCc3cc(F)cc(F)c3[O-])cc21 ZINC000897762462 1033152818 /nfs/dbraw/zinc/15/28/18/1033152818.db2.gz FEJHVWBJLPYILJ-UHFFFAOYSA-N -1 1 332.350 3.582 20 10 EHCDMM CC(C)COC[C@@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccco1 ZINC000273605136 1027515396 /nfs/dbraw/zinc/51/53/96/1027515396.db2.gz TVSQDWADXDHPHM-XJKSGUPXSA-N -1 1 348.399 3.958 20 10 EHCDMM O=C1[N-]C(=S)S/C1=C\c1ccc(Br)c(Cl)c1 ZINC000588589580 1031941800 /nfs/dbraw/zinc/94/18/00/1031941800.db2.gz XUPYQDNZGQIYRA-YWEYNIOJSA-N -1 1 334.647 3.591 20 10 EHCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000123713723 1040928371 /nfs/dbraw/zinc/92/83/71/1040928371.db2.gz BPFAMPGZEQBYHC-JQWIXIFHSA-N -1 1 344.160 3.587 20 10 EHCDMM CC[C@@H]1CCC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764798374 1127534745 /nfs/dbraw/zinc/53/47/45/1127534745.db2.gz QENKHXCANNGPNE-MFKMUULPSA-N -1 1 341.249 3.533 20 10 EHCDMM C[C@H]1CC[C@H](NC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000765493142 1127621033 /nfs/dbraw/zinc/62/10/33/1127621033.db2.gz KHHWSFOGKLBIJT-UMSPYCQHSA-N -1 1 341.249 3.533 20 10 EHCDMM Cc1ccc(F)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765751256 1127765458 /nfs/dbraw/zinc/76/54/58/1127765458.db2.gz CKDJPMORLNXTRX-UHFFFAOYSA-N -1 1 338.176 3.532 20 10 EHCDMM Cn1ccc2ccc(NC(=O)NCc3cccc(Cl)c3[O-])cc21 ZINC001670830051 1120324259 /nfs/dbraw/zinc/32/42/59/1120324259.db2.gz JEWBXVHNVGBHEE-UHFFFAOYSA-N -1 1 329.787 3.859 20 10 EHCDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OC(C)C)c(C)c1 ZINC000762000960 1121050307 /nfs/dbraw/zinc/05/03/07/1121050307.db2.gz SQQIRDPJHBNZAB-UHFFFAOYSA-N -1 1 335.425 3.597 20 10 EHCDMM CCCCC1CCC(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC000916593965 1122214570 /nfs/dbraw/zinc/21/45/70/1122214570.db2.gz DTYMEMFUEQINEP-UHFFFAOYSA-N -1 1 334.412 3.820 20 10 EHCDMM CN(C)Cc1csc(CNCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000922491046 1129552842 /nfs/dbraw/zinc/55/28/42/1129552842.db2.gz HZQQUAIVDWISGR-UHFFFAOYSA-N -1 1 346.283 3.507 20 10 EHCDMM COc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1 ZINC001173806282 1132152121 /nfs/dbraw/zinc/15/21/21/1132152121.db2.gz UOOCARJSGJCRGA-UHFFFAOYSA-N -1 1 345.354 3.920 20 10 EHCDMM O=C1c2ccccc2C(=O)c2cc(Nc3ccc(O)cc3)c([O-])cc21 ZINC001175045446 1132548073 /nfs/dbraw/zinc/54/80/73/1132548073.db2.gz PSFMCDQVPWXGKY-UHFFFAOYSA-N -1 1 331.327 3.617 20 10 EHCDMM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000789964177 1134352979 /nfs/dbraw/zinc/35/29/79/1134352979.db2.gz KGLOIZKRSRLGND-LBPRGKRZSA-N -1 1 331.387 3.723 20 10 EHCDMM Cc1cc(NC(=O)c2ccc(O)c([O-])c2Cl)c2ccsc2n1 ZINC001193220860 1135115873 /nfs/dbraw/zinc/11/58/73/1135115873.db2.gz YQHIZRRDYNTCPZ-UHFFFAOYSA-N -1 1 334.784 3.922 20 10 EHCDMM CC[C@@H](NC(=O)c1ccc(O)c([O-])c1Cl)c1ccc(F)c(F)c1 ZINC001193247224 1135118313 /nfs/dbraw/zinc/11/83/13/1135118313.db2.gz PSWCANZECLUZGY-GFCCVEGCSA-N -1 1 341.741 3.911 20 10 EHCDMM Cc1cccc(C)c1S(=O)(=O)[N-]c1ccc(O)c2ccccc12 ZINC001194638775 1135295381 /nfs/dbraw/zinc/29/53/81/1135295381.db2.gz MPMVSIPQNSSSGZ-UHFFFAOYSA-N -1 1 327.405 3.963 20 10 EHCDMM O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc(F)c([O-])c(F)c1 ZINC000807841243 1135576504 /nfs/dbraw/zinc/57/65/04/1135576504.db2.gz VRSCFCOKGQRWBU-UHFFFAOYSA-N -1 1 348.132 3.613 20 10 EHCDMM COc1cc(NCc2cc(Cl)c(F)cc2[O-])ccc1NC(C)=O ZINC000816524776 1136733453 /nfs/dbraw/zinc/73/34/53/1136733453.db2.gz QSJFOGJFAUYSMJ-UHFFFAOYSA-N -1 1 338.766 3.764 20 10 EHCDMM COC(=O)c1ccc(NCc2cc(Cl)c(F)cc2[O-])c(OC)c1 ZINC000816583140 1136734721 /nfs/dbraw/zinc/73/47/21/1136734721.db2.gz DDICZFDGYJRTTK-UHFFFAOYSA-N -1 1 339.750 3.592 20 10 EHCDMM CCc1nocc1C[N@H+](C)Cc1cc(C)cc(Br)c1O ZINC000816652179 1136744779 /nfs/dbraw/zinc/74/47/79/1136744779.db2.gz CBUHTTQSOZMXQM-UHFFFAOYSA-N -1 1 339.233 3.646 20 10 EHCDMM O=C(NCc1cc(Cl)ccc1O)c1ccc2ccccc2c1[O-] ZINC001146233536 1137388292 /nfs/dbraw/zinc/38/82/92/1137388292.db2.gz VIOHRJCFCNBLJY-UHFFFAOYSA-N -1 1 327.767 3.834 20 10 EHCDMM Cc1cc(NCc2cc(Br)cc(F)c2[O-])nn1C(C)C ZINC000883148244 1137846314 /nfs/dbraw/zinc/84/63/14/1137846314.db2.gz ZWBZEGVMTFGCJI-UHFFFAOYSA-N -1 1 342.212 3.992 20 10 EHCDMM O=C([O-])C[N@H+](C/C=C/c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000739783835 600506646 /nfs/dbraw/zinc/50/66/46/600506646.db2.gz OGVRHLPFVKRMFY-QPJJXVBHSA-N -1 1 331.799 3.646 20 10 EHCDMM O=C([O-])C[N@@H+](C/C=C/c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000739783835 600506649 /nfs/dbraw/zinc/50/66/49/600506649.db2.gz OGVRHLPFVKRMFY-QPJJXVBHSA-N -1 1 331.799 3.646 20 10 EHCDMM C[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CCCC1 ZINC000728194356 1014939820 /nfs/dbraw/zinc/93/98/20/1014939820.db2.gz LIJFCYGCDYSWEJ-UHFFFAOYSA-N -1 1 325.408 3.703 20 10 EHCDMM C[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CCCC1 ZINC000728194356 1014939831 /nfs/dbraw/zinc/93/98/31/1014939831.db2.gz LIJFCYGCDYSWEJ-UHFFFAOYSA-N -1 1 325.408 3.703 20 10 EHCDMM CC[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728195200 1014940373 /nfs/dbraw/zinc/94/03/73/1014940373.db2.gz CRDFURFAWULWNV-OAHLLOKOSA-N -1 1 325.408 3.703 20 10 EHCDMM CC[C@@H]1CCC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728195200 1014940380 /nfs/dbraw/zinc/94/03/80/1014940380.db2.gz CRDFURFAWULWNV-OAHLLOKOSA-N -1 1 325.408 3.703 20 10 EHCDMM C[C@H]1CCC[C@@H](C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001594346013 999310951 /nfs/dbraw/zinc/31/09/51/999310951.db2.gz KQAADAMZSOMEGY-QWHCGFSZSA-N -1 1 325.836 3.759 20 10 EHCDMM C[C@H]1CCC[C@@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])C1 ZINC001594346013 999310954 /nfs/dbraw/zinc/31/09/54/999310954.db2.gz KQAADAMZSOMEGY-QWHCGFSZSA-N -1 1 325.836 3.759 20 10 EHCDMM CCc1c(C(=O)NCc2cccc(Cl)c2[O-])cnn1C1CCCC1 ZINC000890759098 1016382153 /nfs/dbraw/zinc/38/21/53/1016382153.db2.gz CBZNGRPRFRXHNU-UHFFFAOYSA-N -1 1 347.846 3.850 20 10 EHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC12CCOCC2 ZINC000894571374 1022572393 /nfs/dbraw/zinc/57/23/93/1022572393.db2.gz PJDADBKUSBCRKT-UHFFFAOYSA-N -1 1 346.652 3.563 20 10 EHCDMM C[C@@H](NCc1nc(C(C)(C)C)cs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273587792 1027508704 /nfs/dbraw/zinc/50/87/04/1027508704.db2.gz OEHPBPVVRWEHOZ-SNVBAGLBSA-N -1 1 335.429 3.905 20 10 EHCDMM C[C@@H](N[C@@H](C)c1ccc(F)cc1[O-])c1noc(-c2ccccc2)n1 ZINC000185766814 1035530226 /nfs/dbraw/zinc/53/02/26/1035530226.db2.gz HXRKVJUJDXFDMZ-NWDGAFQWSA-N -1 1 327.359 3.993 20 10 EHCDMM COc1ccc(F)c(NCc2cccc(Br)c2[O-])c1 ZINC000094854375 1044449820 /nfs/dbraw/zinc/44/98/20/1044449820.db2.gz RAPMCILSDQLJQO-UHFFFAOYSA-N -1 1 326.165 3.915 20 10 EHCDMM C[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000764758828 1127529865 /nfs/dbraw/zinc/52/98/65/1127529865.db2.gz VOJQCDZUSMAMGX-GWCFXTLKSA-N -1 1 341.249 3.533 20 10 EHCDMM CC1(C(=O)NCc2cccc(Br)c2[O-])CCCCC1 ZINC000765763590 1128003004 /nfs/dbraw/zinc/00/30/04/1128003004.db2.gz DZVXQOUPHRWWAS-UHFFFAOYSA-N -1 1 326.234 3.741 20 10 EHCDMM CC(C)c1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c([O-])c1 ZINC000918371468 1122794466 /nfs/dbraw/zinc/79/44/66/1122794466.db2.gz HOTCNKGVVUSPJP-UHFFFAOYSA-N -1 1 340.423 3.605 20 10 EHCDMM Cc1cc(C(=O)Nc2ccc(F)cc2[O-])c(C)n1-c1ccccn1 ZINC000768260540 1133117955 /nfs/dbraw/zinc/11/79/55/1133117955.db2.gz YBHLLCMRZJEOKM-UHFFFAOYSA-N -1 1 325.343 3.586 20 10 EHCDMM COc1ccc2c(c1)CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2 ZINC000769121932 1133229114 /nfs/dbraw/zinc/22/91/14/1133229114.db2.gz SSVNXKWXXSCWPZ-UHFFFAOYSA-N -1 1 348.786 3.521 20 10 EHCDMM C[S@@](=N)(=O)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC001179640797 1133270014 /nfs/dbraw/zinc/27/00/14/1133270014.db2.gz CIVYAWIECQXJFN-OAQYLSRUSA-N -1 1 328.796 3.832 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])c1[nH]nc2ccc(Cl)cc21 ZINC001180410869 1133371584 /nfs/dbraw/zinc/37/15/84/1133371584.db2.gz TZSXXRHROMXZNB-UHFFFAOYSA-N -1 1 336.178 3.505 20 10 EHCDMM CCN(CC)c1ccc(C[N@H+](C)[C@H](C)c2nc(C)cc(=O)[nH]2)cc1 ZINC000790268493 1134392278 /nfs/dbraw/zinc/39/22/78/1134392278.db2.gz RARVOABBGOLREL-OAHLLOKOSA-N -1 1 328.460 3.530 20 10 EHCDMM O=C(CNc1ncc(Cl)c2ccccc21)c1ccc([O-])c(O)c1 ZINC001170314707 1134746042 /nfs/dbraw/zinc/74/60/42/1134746042.db2.gz ZJUOPTPZHKZJOP-UHFFFAOYSA-N -1 1 328.755 3.594 20 10 EHCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2nc(C)sc2c1 ZINC000793430059 1134927738 /nfs/dbraw/zinc/92/77/38/1134927738.db2.gz ROZLFZXBFIOHEB-UHFFFAOYSA-N -1 1 348.449 3.674 20 10 EHCDMM CC1(CNC(=O)c2ccc(O)c([O-])c2Cl)CCC(F)(F)CC1 ZINC001193247063 1135118342 /nfs/dbraw/zinc/11/83/42/1135118342.db2.gz JLXMHCQEIMSFHP-UHFFFAOYSA-N -1 1 333.762 3.697 20 10 EHCDMM CC[C@H](NCc1n[nH]cc1Br)c1cccc(Cl)c1[O-] ZINC000806142296 1135399579 /nfs/dbraw/zinc/39/95/79/1135399579.db2.gz ZJUQJIBECCRDJO-NSHDSACASA-N -1 1 344.640 3.772 20 10 EHCDMM O=C1CCN(Cc2cc(Cl)cc(F)c2[O-])c2ccc(F)cc2N1 ZINC000811508155 1136101772 /nfs/dbraw/zinc/10/17/72/1136101772.db2.gz CXYIQXMAUHHQNU-UHFFFAOYSA-N -1 1 338.741 3.673 20 10 EHCDMM C[C@H](Nc1cnn(CCF)c1)c1cc(Br)cc(F)c1[O-] ZINC000858491812 1136972840 /nfs/dbraw/zinc/97/28/40/1136972840.db2.gz OKRVCEZNUYGBRV-QMMMGPOBSA-N -1 1 346.175 3.633 20 10 EHCDMM C[C@H](CCC[C@@H](C)C(=O)[O-])[NH2+]Cc1c([O-])cccc1Br ZINC000864503385 1137230368 /nfs/dbraw/zinc/23/03/68/1137230368.db2.gz AQMHAOSTCZURHS-GHMZBOCLSA-N -1 1 344.249 3.524 20 10 EHCDMM C[C@H](N[C@H]1c2ccccc2CC[C@H]1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883376110 1137857887 /nfs/dbraw/zinc/85/78/87/1137857887.db2.gz FKTJYEVXCDESSH-LSKLOWJMSA-N -1 1 330.359 3.977 20 10 EHCDMM Cc1nc(SCC(=O)c2ccc([O-])c(O)c2)n(CC(C)C)c1C ZINC000073124036 1138111112 /nfs/dbraw/zinc/11/11/12/1138111112.db2.gz SWPCPBHQOBGDLJ-UHFFFAOYSA-N -1 1 334.441 3.542 20 10 EHCDMM CC[C@](C)(C(=O)[O-])[N@H+](Cc1c([O-])ccc(Cl)c1F)CC1CC1 ZINC001594787612 981824725 /nfs/dbraw/zinc/82/47/25/981824725.db2.gz JCUVMKNCQYLGKU-MRXNPFEDSA-N -1 1 329.799 3.650 20 10 EHCDMM CC[C@@H]1CCC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000728196932 1014942759 /nfs/dbraw/zinc/94/27/59/1014942759.db2.gz YSFOKAHVEAXKAM-OAHLLOKOSA-N -1 1 339.435 3.951 20 10 EHCDMM CC[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000728196932 1014942773 /nfs/dbraw/zinc/94/27/73/1014942773.db2.gz YSFOKAHVEAXKAM-OAHLLOKOSA-N -1 1 339.435 3.951 20 10 EHCDMM CC(C)c1ncc(Cl)c(C(=O)NCc2cccc(Cl)c2[O-])n1 ZINC000890757187 1016366564 /nfs/dbraw/zinc/36/65/64/1016366564.db2.gz AARAHVGBRCENIH-UHFFFAOYSA-N -1 1 340.210 3.542 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CCCCC1(F)F ZINC000895087608 1024192598 /nfs/dbraw/zinc/19/25/98/1024192598.db2.gz UXWAEGLVTYYBHR-LLVKDONJSA-N -1 1 332.778 3.670 20 10 EHCDMM C[C@H](N[C@@H](C)c1ccc(F)cc1[O-])c1noc(-c2ccccc2)n1 ZINC000185766778 1035528374 /nfs/dbraw/zinc/52/83/74/1035528374.db2.gz HXRKVJUJDXFDMZ-RYUDHWBXSA-N -1 1 327.359 3.993 20 10 EHCDMM [O-]c1cc(Br)cc(F)c1CN1CCC(C(F)F)CC1 ZINC001233031806 1036264838 /nfs/dbraw/zinc/26/48/38/1036264838.db2.gz NBEBAXNWCCRWLY-UHFFFAOYSA-N -1 1 338.167 3.771 20 10 EHCDMM CCOC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894026483 1039993281 /nfs/dbraw/zinc/99/32/81/1039993281.db2.gz LPLWWPMFAHRFTG-NSHDSACASA-N -1 1 346.240 3.542 20 10 EHCDMM C[N@@H+](CCc1cccc(C(F)(F)F)n1)Cc1c(F)ccc(F)c1[O-] ZINC001139685520 1043206801 /nfs/dbraw/zinc/20/68/01/1043206801.db2.gz MMPNSPORAVYHIS-UHFFFAOYSA-N -1 1 346.299 3.759 20 10 EHCDMM CC(C)Cc1nsc(NCc2cccc(Br)c2[O-])n1 ZINC000764934800 1127556059 /nfs/dbraw/zinc/55/60/59/1127556059.db2.gz MESPXYVWYBVUAU-UHFFFAOYSA-N -1 1 342.262 3.817 20 10 EHCDMM O=C(/C=C\C1CCCCC1)NCc1cccc(Br)c1[O-] ZINC000765747500 1127764640 /nfs/dbraw/zinc/76/46/40/1127764640.db2.gz OYZUWVKTOLWFNZ-KTKRTIGZSA-N -1 1 338.245 3.907 20 10 EHCDMM C[C@H]1CCC[C@H]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765751811 1127766526 /nfs/dbraw/zinc/76/65/26/1127766526.db2.gz SOLLCLFVUPONDO-QWRGUYRKSA-N -1 1 326.234 3.597 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc2ccccc2o1 ZINC000765763411 1127967750 /nfs/dbraw/zinc/96/77/50/1127967750.db2.gz BATOQSBYIAVNCW-UHFFFAOYSA-N -1 1 346.180 3.831 20 10 EHCDMM C[C@H]1CCC[C@@H](CC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765764429 1127990739 /nfs/dbraw/zinc/99/07/39/1127990739.db2.gz JYZGIRGMAHXOND-NWDGAFQWSA-N -1 1 340.261 3.987 20 10 EHCDMM C[C@H]1CCC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765769486 1128153943 /nfs/dbraw/zinc/15/39/43/1128153943.db2.gz MIULQFGLDHKLOE-QWRGUYRKSA-N -1 1 326.234 3.597 20 10 EHCDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1CC ZINC000766047020 1129945978 /nfs/dbraw/zinc/94/59/78/1129945978.db2.gz BFPYAHNSHFLOQL-UHFFFAOYSA-N -1 1 347.436 3.520 20 10 EHCDMM O=C1N[C@@H](c2cc(Cl)cc(F)c2[O-])Nc2cc(Cl)ccc21 ZINC000768265928 1133119454 /nfs/dbraw/zinc/11/94/54/1133119454.db2.gz IYAZMMDFYMEEBO-ZDUSSCGKSA-N -1 1 327.142 3.692 20 10 EHCDMM Cc1nc(CC2CC2)sc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001180409611 1133371167 /nfs/dbraw/zinc/37/11/67/1133371167.db2.gz FFZSTQQHRDEEBB-UHFFFAOYSA-N -1 1 336.844 3.693 20 10 EHCDMM COc1c([O-])c(C[N@@H+]2CC(C)(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000774853649 1134067799 /nfs/dbraw/zinc/06/77/99/1134067799.db2.gz PSWLKVACIDGUCA-GOSISDBHSA-N -1 1 342.395 3.892 20 10 EHCDMM CN(Cc1ccc2ccccc2c1)C(=O)c1c([O-])c(O)ccc1F ZINC000789943963 1134350601 /nfs/dbraw/zinc/35/06/01/1134350601.db2.gz KDMRWWNXXSFJIM-UHFFFAOYSA-N -1 1 325.339 3.662 20 10 EHCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)n(C)c2ccccc21 ZINC000790071825 1134363184 /nfs/dbraw/zinc/36/31/84/1134363184.db2.gz RPJJBGXEWSCAPK-UHFFFAOYSA-N -1 1 344.436 3.556 20 10 EHCDMM [O-]c1cccc(Cl)c1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000775147559 1134388672 /nfs/dbraw/zinc/38/86/72/1134388672.db2.gz WERNAYPZRIDRSZ-UHFFFAOYSA-N -1 1 342.620 3.804 20 10 EHCDMM CCC[C@@](C)(CC)C(=O)NCc1cccc(Br)c1[O-] ZINC000793968045 1135008776 /nfs/dbraw/zinc/00/87/76/1135008776.db2.gz HOHAIECDSZROFL-OAHLLOKOSA-N -1 1 328.250 3.987 20 10 EHCDMM COc1ccc([C@H](C)N(C)C(=O)c2ccc(O)c([O-])c2Cl)cc1 ZINC001193233217 1135116482 /nfs/dbraw/zinc/11/64/82/1135116482.db2.gz WMCWZJUOAZECKO-JTQLQIEISA-N -1 1 335.787 3.593 20 10 EHCDMM COc1cc(NCc2cccc(Cl)c2[O-])ncc1Br ZINC000776255871 1136110508 /nfs/dbraw/zinc/11/05/08/1136110508.db2.gz JVYJZVBHSMDSCQ-UHFFFAOYSA-N -1 1 343.608 3.824 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])c1cc[nH]c1C1CCC1 ZINC000813539253 1136345087 /nfs/dbraw/zinc/34/50/87/1136345087.db2.gz HSENOOCMPJFPDK-UHFFFAOYSA-N -1 1 349.228 3.680 20 10 EHCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)c(Cl)c1Cl ZINC000776746158 1136622128 /nfs/dbraw/zinc/62/21/28/1136622128.db2.gz UDGYWUWJZLQXTP-UHFFFAOYSA-N -1 1 348.207 3.508 20 10 EHCDMM CC[C@@H](NCc1nn(CC)nc1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000818344269 1136873311 /nfs/dbraw/zinc/87/33/11/1136873311.db2.gz BCVPKTADLRMYOW-CYBMUJFWSA-N -1 1 343.258 3.860 20 10 EHCDMM C[C@H](C(=O)[O-])[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1ccccc1 ZINC000864510626 1137231120 /nfs/dbraw/zinc/23/11/20/1137231120.db2.gz YDOACJDHYJSGAK-KPZWWZAWSA-N -1 1 348.393 3.582 20 10 EHCDMM [O-]c1c(F)cc(Br)cc1CN1CCC(C(F)F)CC1 ZINC000715793004 1137478199 /nfs/dbraw/zinc/47/81/99/1137478199.db2.gz FZIIFVRFFNTQQQ-UHFFFAOYSA-N -1 1 338.167 3.771 20 10 EHCDMM CC[C@H](Nc1cccc2c1N(C)C(=O)CO2)c1cccc(Cl)c1[O-] ZINC000883398915 1137859776 /nfs/dbraw/zinc/85/97/76/1137859776.db2.gz YFTJITDPAOYRHT-ZDUSSCGKSA-N -1 1 346.814 3.964 20 10 EHCDMM COc1cc(N(C)Cc2cccc(Cl)c2[O-])cc(OC)c1OC ZINC000180755930 1139860669 /nfs/dbraw/zinc/86/06/69/1139860669.db2.gz OQPBCOOPJKPPQA-UHFFFAOYSA-N -1 1 337.803 3.708 20 10 EHCDMM CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000833419525 605549032 /nfs/dbraw/zinc/54/90/32/605549032.db2.gz FWVZRZJHEGLQCS-LLVKDONJSA-N -1 1 329.799 3.508 20 10 EHCDMM CC[C@@H]([NH2+][C@H]1CC=C(C(=O)[O-])C1)c1ccc(C(F)(F)F)cc1[O-] ZINC001595281449 980334132 /nfs/dbraw/zinc/33/41/32/980334132.db2.gz OEIMSHUZRXWNKH-WCQYABFASA-N -1 1 329.318 3.625 20 10 EHCDMM CC(C)COC[C@@H](N[C@@H](C)c1cc(C(=O)[O-])ccc1O)c1ccco1 ZINC001591391357 992451644 /nfs/dbraw/zinc/45/16/44/992451644.db2.gz XKTAPOLBNDGHBA-XJKSGUPXSA-N -1 1 347.411 3.748 20 10 EHCDMM Cc1ccccc1CO[C@@H](C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890761408 1016394608 /nfs/dbraw/zinc/39/46/08/1016394608.db2.gz QOYMJSSBNSZNSD-ZDUSSCGKSA-N -1 1 333.815 3.576 20 10 EHCDMM Cc1ccc(N2CCOCC2)cc1NCc1cccc(Cl)c1[O-] ZINC000281042445 1024588875 /nfs/dbraw/zinc/58/88/75/1024588875.db2.gz GXCXIWVAVFNOKH-UHFFFAOYSA-N -1 1 332.831 3.803 20 10 EHCDMM CN(C)c1ccc([S@](C)(=O)=NCc2cccc(Cl)c2[O-])cc1 ZINC000895734255 1024787560 /nfs/dbraw/zinc/78/75/60/1024787560.db2.gz LLPVKXBZYVFTHF-QFIPXVFZSA-N -1 1 338.860 3.769 20 10 EHCDMM O=C(NCC[C@@H]1CCCC1(F)F)NCc1cccc(Cl)c1[O-] ZINC000896438819 1025448698 /nfs/dbraw/zinc/44/86/98/1025448698.db2.gz RQWVEVDRNISUFK-NSHDSACASA-N -1 1 332.778 3.670 20 10 EHCDMM COc1ccc(Oc2ccc(C=C3SC(=S)[N-]C3=O)cc2)cc1 ZINC000783686019 1027081090 /nfs/dbraw/zinc/08/10/90/1027081090.db2.gz URQDCWCZUABYOC-XNTDXEJSSA-N -1 1 343.429 3.976 20 10 EHCDMM CC[C@H](NCc1cnn(CC)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000527922572 1031412026 /nfs/dbraw/zinc/41/20/26/1031412026.db2.gz GZRUAEZUQVVOJM-LBPRGKRZSA-N -1 1 329.231 3.551 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2cc[nH]c2c1 ZINC000765727346 1127744304 /nfs/dbraw/zinc/74/43/04/1127744304.db2.gz MEGWGQVTAKJCMP-UHFFFAOYSA-N -1 1 345.196 3.566 20 10 EHCDMM CC(C)c1cccc(C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765727843 1127745198 /nfs/dbraw/zinc/74/51/98/1127745198.db2.gz POSSKXVYYBXLSR-UHFFFAOYSA-N -1 1 349.228 3.603 20 10 EHCDMM CC(C)C[C@H](C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000765732855 1127750899 /nfs/dbraw/zinc/75/08/99/1127750899.db2.gz TUYBXMOJNRTNHV-NSHDSACASA-N -1 1 328.250 3.843 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc2cc[nH]c21 ZINC000765748642 1127765284 /nfs/dbraw/zinc/76/52/84/1127765284.db2.gz YRUAMBPVRZLXTQ-UHFFFAOYSA-N -1 1 345.196 3.566 20 10 EHCDMM C[S@@](=O)Cc1ccccc1NCc1cc(Cl)cc(F)c1[O-] ZINC000762791618 1121444269 /nfs/dbraw/zinc/44/42/69/1121444269.db2.gz RLBZOPCRTZLXNI-OAQYLSRUSA-N -1 1 327.808 3.675 20 10 EHCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1cc(Cl)sc1Cl ZINC000033769690 1123076977 /nfs/dbraw/zinc/07/69/77/1123076977.db2.gz RPWMFQGBNRVSGQ-UHFFFAOYSA-N -1 1 342.200 3.700 20 10 EHCDMM CC[C@@H](C)C[N@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000732182668 1130894863 /nfs/dbraw/zinc/89/48/63/1130894863.db2.gz HJRLNHKVVSNICF-CQSZACIVSA-N -1 1 327.424 3.807 20 10 EHCDMM CC[C@@H](C)C[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000732182668 1130894869 /nfs/dbraw/zinc/89/48/69/1130894869.db2.gz HJRLNHKVVSNICF-CQSZACIVSA-N -1 1 327.424 3.807 20 10 EHCDMM CCCN(CC)c1ccc(C(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC001180409604 1133371176 /nfs/dbraw/zinc/37/11/76/1133371176.db2.gz DZHZXCULZWGRQS-UHFFFAOYSA-N -1 1 347.846 3.607 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc([N+](=O)[O-])ccc1Cl ZINC001180411366 1133372722 /nfs/dbraw/zinc/37/27/22/1133372722.db2.gz XKXAZUQXTNBUJC-UHFFFAOYSA-N -1 1 341.150 3.537 20 10 EHCDMM C[C@H](NCc1cc(F)c(F)cc1[O-])c1nc(-c2cccc(F)c2)no1 ZINC001181056837 1133444730 /nfs/dbraw/zinc/44/47/30/1133444730.db2.gz VNPNUHIRBQBSBW-VIFPVBQESA-N -1 1 349.312 3.710 20 10 EHCDMM CCCC(C)(C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000787582748 1134019832 /nfs/dbraw/zinc/01/98/32/1134019832.db2.gz VHTAFMWCKZFRIU-UHFFFAOYSA-N -1 1 328.250 3.987 20 10 EHCDMM O=C1CCc2cc(NCc3c([O-])ccc(Cl)c3F)c(F)cc2N1 ZINC000790987663 1134488717 /nfs/dbraw/zinc/48/87/17/1134488717.db2.gz FLZFAGQQYPDQFY-UHFFFAOYSA-N -1 1 338.741 3.821 20 10 EHCDMM C[C@H]1[C@H](C(F)(F)F)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000793228564 1134878432 /nfs/dbraw/zinc/87/84/32/1134878432.db2.gz NOHFVOXYMDGGQX-OIBJUYFYSA-N -1 1 338.713 3.727 20 10 EHCDMM COc1ccc(Cn2cc(NCc3cccc(Cl)c3[O-])cn2)cc1 ZINC000793619573 1134973999 /nfs/dbraw/zinc/97/39/99/1134973999.db2.gz HPNYFQWNNQQYHC-UHFFFAOYSA-N -1 1 343.814 3.911 20 10 EHCDMM COc1ccccc1CC(C)(C)NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193247147 1135118415 /nfs/dbraw/zinc/11/84/15/1135118415.db2.gz MQCPWMVYSIZGRT-UHFFFAOYSA-N -1 1 349.814 3.511 20 10 EHCDMM CC(C)c1cccc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)c1 ZINC001195158706 1135384166 /nfs/dbraw/zinc/38/41/66/1135384166.db2.gz DETZIBARBOVBCP-UHFFFAOYSA-N -1 1 327.352 3.595 20 10 EHCDMM CC[C@H](NCc1cn(CC)nn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000850522524 1136276661 /nfs/dbraw/zinc/27/66/61/1136276661.db2.gz SUPKIQHQOAGQLX-ZDUSSCGKSA-N -1 1 329.231 3.551 20 10 EHCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(Br)nc1 ZINC000816564394 1136737628 /nfs/dbraw/zinc/73/76/28/1136737628.db2.gz DRQYSDRNYJLFGD-UHFFFAOYSA-N -1 1 331.572 3.954 20 10 EHCDMM COCCOc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1F ZINC000816523302 1136732830 /nfs/dbraw/zinc/73/28/30/1136732830.db2.gz LLACMDHTDDEYJJ-UHFFFAOYSA-N -1 1 343.757 3.961 20 10 EHCDMM COc1ccc(NC(C)=O)cc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816522308 1136733280 /nfs/dbraw/zinc/73/32/80/1136733280.db2.gz SRSLLDJTMRXXRA-UHFFFAOYSA-N -1 1 338.766 3.764 20 10 EHCDMM C[S@@](=O)Cc1ccccc1NCc1cc(Cl)c(F)cc1[O-] ZINC000816570204 1136738313 /nfs/dbraw/zinc/73/83/13/1136738313.db2.gz MMAHXRUGZKBGIL-OAQYLSRUSA-N -1 1 327.808 3.675 20 10 EHCDMM C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)[C@@H]1C(=O)[O-] ZINC000818631781 1136886661 /nfs/dbraw/zinc/88/66/61/1136886661.db2.gz PVMIEZYIXYAZFZ-KUHUBIRLSA-N -1 1 325.408 3.744 20 10 EHCDMM C[C@H](Nc1cnn(CCF)c1)c1cc(Br)c(F)cc1[O-] ZINC000858492098 1136972960 /nfs/dbraw/zinc/97/29/60/1136972960.db2.gz SWJPJFTULUZMPG-QMMMGPOBSA-N -1 1 346.175 3.633 20 10 EHCDMM CCn1cc(C[N@H+](Cc2cc(Cl)c(F)cc2O)C(C)C)cn1 ZINC000846055398 1137331017 /nfs/dbraw/zinc/33/10/17/1137331017.db2.gz LRUYFWQLLJZHHK-UHFFFAOYSA-N -1 1 325.815 3.812 20 10 EHCDMM Cc1cc(Br)c([O-])c(CN2C[C@H](C)OCC23CCC3)c1 ZINC000846067411 1137332373 /nfs/dbraw/zinc/33/23/73/1137332373.db2.gz RSVZRPDXHZVCAS-LBPRGKRZSA-N -1 1 340.261 3.607 20 10 EHCDMM COC(=O)[C@@H]1C[C@H]1c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000877693004 1137685976 /nfs/dbraw/zinc/68/59/76/1137685976.db2.gz DTZVXBJOOGCRBY-LSDHHAIUSA-N -1 1 331.799 3.934 20 10 EHCDMM C[C@H]1CN(c2ccc(NCc3cc(F)cc(F)c3[O-])cc2)CCO1 ZINC000883067656 1137843331 /nfs/dbraw/zinc/84/33/31/1137843331.db2.gz PMDKQHDJNRXNRS-LBPRGKRZSA-N -1 1 334.366 3.508 20 10 EHCDMM C[C@H](N[C@H]1c2ccccc2CC[C@@H]1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883376111 1137857893 /nfs/dbraw/zinc/85/78/93/1137857893.db2.gz FKTJYEVXCDESSH-PBQZTSCYSA-N -1 1 330.359 3.977 20 10 EHCDMM Cc1cccc(NC(=O)CN(C)Cc2cccc(Cl)c2[O-])c1C ZINC000179578329 1139765995 /nfs/dbraw/zinc/76/59/95/1139765995.db2.gz COSMGVOGZGQKBS-UHFFFAOYSA-N -1 1 332.831 3.733 20 10 EHCDMM CCCC[C@@H](C(=O)[O-])[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000829277556 600856770 /nfs/dbraw/zinc/85/67/70/600856770.db2.gz XGBFRMCBHDDRJL-ZDUSSCGKSA-N -1 1 344.249 3.620 20 10 EHCDMM CCCC[C@@H](C(=O)[O-])[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000829277556 600856774 /nfs/dbraw/zinc/85/67/74/600856774.db2.gz XGBFRMCBHDDRJL-ZDUSSCGKSA-N -1 1 344.249 3.620 20 10 EHCDMM O=C([O-])c1cccc(CN(Cc2ccco2)Cc2ccccc2O)c1 ZINC000833328584 601603207 /nfs/dbraw/zinc/60/32/07/601603207.db2.gz QJFFDWTWFCHHFU-UHFFFAOYSA-N -1 1 337.375 3.886 20 10 EHCDMM Cc1cc([O-])c(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC001594327014 958181612 /nfs/dbraw/zinc/18/16/12/958181612.db2.gz NDWZNIUYYWRLLF-LSDHHAIUSA-N -1 1 345.826 3.654 20 10 EHCDMM Cc1cc([O-])c(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC001594327014 958181618 /nfs/dbraw/zinc/18/16/18/958181618.db2.gz NDWZNIUYYWRLLF-LSDHHAIUSA-N -1 1 345.826 3.654 20 10 EHCDMM CC(C)(C)CC[C@H]([NH2+]Cc1ccc(Br)cc1[O-])C(=O)[O-] ZINC001573425553 958788925 /nfs/dbraw/zinc/78/89/25/958788925.db2.gz SPBSRWYYZIALAW-LBPRGKRZSA-N -1 1 344.249 3.524 20 10 EHCDMM C[C@@H](N[C@H](C)c1cc(Cl)ccc1O)c1ncc(C(=O)[O-])s1 ZINC001593198025 994167955 /nfs/dbraw/zinc/16/79/55/994167955.db2.gz NIHAOOVLINJGOF-HTQZYQBOSA-N -1 1 326.805 3.612 20 10 EHCDMM COc1ccc(O)c([C@H](C)NC(=O)c2cc3ccccc3cc2[O-])c1 ZINC000729278675 1019258419 /nfs/dbraw/zinc/25/84/19/1019258419.db2.gz SNDFFNUQTSBCEC-LBPRGKRZSA-N -1 1 337.375 3.751 20 10 EHCDMM COC(=O)C(C)(C)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000894424470 1022267734 /nfs/dbraw/zinc/26/77/34/1022267734.db2.gz HIYUIIMPTMAMRX-UHFFFAOYSA-N -1 1 335.350 3.733 20 10 EHCDMM CCCCC[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764758627 1127529730 /nfs/dbraw/zinc/52/97/30/1127529730.db2.gz SCDXKPSWVVHYGR-NSHDSACASA-N -1 1 343.265 3.923 20 10 EHCDMM C[C@@H]1CCC[C@H](CC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765764428 1127990909 /nfs/dbraw/zinc/99/09/09/1127990909.db2.gz JYZGIRGMAHXOND-NEPJUHHUSA-N -1 1 340.261 3.987 20 10 EHCDMM Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])c(F)c1 ZINC000765771206 1128168085 /nfs/dbraw/zinc/16/80/85/1128168085.db2.gz VKCRXFAFUYEPMP-UHFFFAOYSA-N -1 1 338.176 3.532 20 10 EHCDMM C[C@@H]1C[C@H](C)[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000740860623 1131549003 /nfs/dbraw/zinc/54/90/03/1131549003.db2.gz GSTOLXWYOSCWDD-KGLIPLIRSA-N -1 1 325.408 3.559 20 10 EHCDMM C[C@@H]1C[C@H](C)[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000740860623 1131549007 /nfs/dbraw/zinc/54/90/07/1131549007.db2.gz GSTOLXWYOSCWDD-KGLIPLIRSA-N -1 1 325.408 3.559 20 10 EHCDMM C[C@@H]1C[C@H](C)[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000740860623 1131549009 /nfs/dbraw/zinc/54/90/09/1131549009.db2.gz GSTOLXWYOSCWDD-KGLIPLIRSA-N -1 1 325.408 3.559 20 10 EHCDMM CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000744441616 1132100590 /nfs/dbraw/zinc/10/05/90/1132100590.db2.gz PRLTUGAXYQXHFO-GOEBONIOSA-N -1 1 339.435 3.949 20 10 EHCDMM CC[C@@H]1C[C@H](C)C[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000744441616 1132100594 /nfs/dbraw/zinc/10/05/94/1132100594.db2.gz PRLTUGAXYQXHFO-GOEBONIOSA-N -1 1 339.435 3.949 20 10 EHCDMM O=C(NCC1(c2ccccc2)CCCCC1)c1c(F)ccc(O)c1[O-] ZINC001182184528 1133584106 /nfs/dbraw/zinc/58/41/06/1133584106.db2.gz XYIWPWLYEYGFFY-UHFFFAOYSA-N -1 1 343.398 3.869 20 10 EHCDMM COc1cccc2c1nc(NCc1cc(Cl)c(F)cc1[O-])n2C ZINC001184462211 1133943288 /nfs/dbraw/zinc/94/32/88/1133943288.db2.gz HNYDXCMDIOHVNB-UHFFFAOYSA-N -1 1 335.766 3.692 20 10 EHCDMM O=C1[N-]C(=S)S/C1=C\c1cnc(-c2ccc(Cl)cc2)s1 ZINC000789128335 1134227782 /nfs/dbraw/zinc/22/77/82/1134227782.db2.gz SABBHIVXWDJZEA-YHYXMXQVSA-N -1 1 338.866 3.952 20 10 EHCDMM C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000789964176 1134353229 /nfs/dbraw/zinc/35/32/29/1134353229.db2.gz KGLOIZKRSRLGND-GFCCVEGCSA-N -1 1 331.387 3.723 20 10 EHCDMM CC(C)(O)COc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000790979988 1134495599 /nfs/dbraw/zinc/49/55/99/1134495599.db2.gz BGNMQROBDZYWDJ-UHFFFAOYSA-N -1 1 339.794 3.947 20 10 EHCDMM CSc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1 ZINC000792702633 1134782128 /nfs/dbraw/zinc/78/21/28/1134782128.db2.gz BSGGKRHPDGFZEB-UHFFFAOYSA-N -1 1 341.479 3.637 20 10 EHCDMM CC(C)(C)OC(=O)C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775679271 1135503652 /nfs/dbraw/zinc/50/36/52/1135503652.db2.gz TXBWBWRLGYINQF-UHFFFAOYSA-N -1 1 343.826 3.738 20 10 EHCDMM C[C@@H]1CCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000775691872 1135531766 /nfs/dbraw/zinc/53/17/66/1135531766.db2.gz HPGRZKVITVFBCM-MRVPVSSYSA-N -1 1 349.066 3.902 20 10 EHCDMM Cc1cc(Br)c([O-])c(CN[C@H](C2CC2)C(F)(F)F)c1 ZINC000808438749 1135667478 /nfs/dbraw/zinc/66/74/78/1135667478.db2.gz MONNEYVBSGVLEE-GFCCVEGCSA-N -1 1 338.167 3.894 20 10 EHCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCO2)c1[O-] ZINC001198685316 1135847304 /nfs/dbraw/zinc/84/73/04/1135847304.db2.gz IVEITPHYZNVYJI-SJORKVTESA-N -1 1 337.847 3.782 20 10 EHCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(C2CCCC2)cc1 ZINC000812242228 1136188102 /nfs/dbraw/zinc/18/81/02/1136188102.db2.gz SVVSHQNQRNWVQI-XMHGGMMESA-N -1 1 332.403 3.806 20 10 EHCDMM CCCNC(=O)c1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816525563 1136733551 /nfs/dbraw/zinc/73/35/51/1136733551.db2.gz YUWPKTHRLOSGKI-UHFFFAOYSA-N -1 1 336.794 3.937 20 10 EHCDMM Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1S(C)(=O)=O ZINC000816565403 1136737803 /nfs/dbraw/zinc/73/78/03/1136737803.db2.gz NYNNDXZVVZXGFV-UHFFFAOYSA-N -1 1 343.807 3.509 20 10 EHCDMM COCCOCc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000858298485 1136956398 /nfs/dbraw/zinc/95/63/98/1136956398.db2.gz QKJZGORYDYUODG-UHFFFAOYSA-N -1 1 339.794 3.960 20 10 EHCDMM O=C([N-]Cc1cc(Cl)ccc1O)C(F)(F)c1cc(F)cc(F)c1 ZINC001146231653 1137388315 /nfs/dbraw/zinc/38/83/15/1137388315.db2.gz GXQXAOCKTHAKPC-UHFFFAOYSA-N -1 1 347.695 3.732 20 10 EHCDMM C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@H](C(F)(F)F)O1 ZINC000877825157 1137692300 /nfs/dbraw/zinc/69/23/00/1137692300.db2.gz XSVYZXQIVJGGGZ-PRHODGIISA-N -1 1 341.732 3.726 20 10 EHCDMM O=C1c2ccccc2N[C@H](c2cc(Cl)c(F)cc2[O-])N1C1CC1 ZINC000877842156 1137693040 /nfs/dbraw/zinc/69/30/40/1137693040.db2.gz FNILGSHXTPXQLG-INIZCTEOSA-N -1 1 332.762 3.914 20 10 EHCDMM O=C1N[C@H](c2cc(Cl)c(F)cc2[O-])Nc2cccc(Cl)c21 ZINC000877855334 1137693557 /nfs/dbraw/zinc/69/35/57/1137693557.db2.gz XBROKPNPNGCKNC-CYBMUJFWSA-N -1 1 327.142 3.692 20 10 EHCDMM O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000833211233 979119502 /nfs/dbraw/zinc/11/95/02/979119502.db2.gz WGMOYYYRKNVFST-ZDUSSCGKSA-N -1 1 325.364 3.731 20 10 EHCDMM O=C([O-])C[C@@H]1CCC[N@H+]1Cc1cc2oc3ccccc3c2cc1[O-] ZINC000833211233 979119505 /nfs/dbraw/zinc/11/95/05/979119505.db2.gz WGMOYYYRKNVFST-ZDUSSCGKSA-N -1 1 325.364 3.731 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1C[C@@]12CCc1ccccc12 ZINC000890760580 1016383529 /nfs/dbraw/zinc/38/35/29/1016383529.db2.gz UFMTUXJUIQAEDO-DNVCBOLYSA-N -1 1 327.811 3.566 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1C[C@@]12CCc1ccccc12 ZINC000890760581 1016383918 /nfs/dbraw/zinc/38/39/18/1016383918.db2.gz UFMTUXJUIQAEDO-HNAYVOBHSA-N -1 1 327.811 3.566 20 10 EHCDMM Cc1ccc(NCc2cccc(Br)c2[O-])c([N+](=O)[O-])c1 ZINC000048796247 1022884778 /nfs/dbraw/zinc/88/47/78/1022884778.db2.gz PJHWRKYPFVHYSL-UHFFFAOYSA-N -1 1 337.173 3.983 20 10 EHCDMM CO[C@@H](C)c1nc(CN[C@@H](C)c2ccc(F)c(F)c2[O-])cs1 ZINC000276932155 1023406715 /nfs/dbraw/zinc/40/67/15/1023406715.db2.gz ONECYKJQJGUJOR-IUCAKERBSA-N -1 1 328.384 3.685 20 10 EHCDMM CSC1CCC(CNC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000896560338 1025603082 /nfs/dbraw/zinc/60/30/82/1025603082.db2.gz ACONLQBKSFDWQK-UHFFFAOYSA-N -1 1 342.892 3.767 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCSC2(CCC2)C1 ZINC000896707094 1025881361 /nfs/dbraw/zinc/88/13/61/1025881361.db2.gz WKJMHTFRRZBNGK-LBPRGKRZSA-N -1 1 340.876 3.663 20 10 EHCDMM CCC1(O)CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000894049614 1040009518 /nfs/dbraw/zinc/00/95/18/1040009518.db2.gz HWZCMIDFIIXCSC-UHFFFAOYSA-N -1 1 348.668 3.545 20 10 EHCDMM C[C@H](N[C@@H](C)c1ccc(F)cc1[O-])c1noc(Cc2ccccc2)n1 ZINC000185666705 1126975739 /nfs/dbraw/zinc/97/57/39/1126975739.db2.gz ZDUHZGVEUKPVGH-STQMWFEESA-N -1 1 341.386 3.917 20 10 EHCDMM CC1(CNC(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000764780647 1127533766 /nfs/dbraw/zinc/53/37/66/1127533766.db2.gz RATXTQKVJQRKJC-UHFFFAOYSA-N -1 1 341.249 3.534 20 10 EHCDMM Cc1cscc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765318609 1127599049 /nfs/dbraw/zinc/59/90/49/1127599049.db2.gz NZWKMTRSHOIDTB-UHFFFAOYSA-N -1 1 341.230 3.846 20 10 EHCDMM CCCC[C@H](CC)C(=O)NCc1cccc(Br)c1[O-] ZINC000765726050 1127744272 /nfs/dbraw/zinc/74/42/72/1127744272.db2.gz DVPXXHJMXQZYQI-NSHDSACASA-N -1 1 328.250 3.987 20 10 EHCDMM O=C(/C=C\c1cccs1)NCc1cccc(Br)c1[O-] ZINC000765751563 1127766332 /nfs/dbraw/zinc/76/63/32/1127766332.db2.gz GKKPVHYHVZVHSO-SREVYHEPSA-N -1 1 338.226 3.546 20 10 EHCDMM C[C@H](CNC(=O)NCc1cccc(Br)c1[O-])C(C)(C)C ZINC000764783323 1121315326 /nfs/dbraw/zinc/31/53/26/1121315326.db2.gz KKHPRARFBLTVRH-SNVBAGLBSA-N -1 1 343.265 3.636 20 10 EHCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000766047039 1129946202 /nfs/dbraw/zinc/94/62/02/1129946202.db2.gz CGHGYWYZFBMNHX-UHFFFAOYSA-N -1 1 347.436 3.693 20 10 EHCDMM [O-]c1cccc(F)c1CN1CC(Oc2ccccc2C(F)(F)F)C1 ZINC001137837731 1130528892 /nfs/dbraw/zinc/52/88/92/1130528892.db2.gz SEXKUIQSIDBTSQ-UHFFFAOYSA-N -1 1 341.304 3.813 20 10 EHCDMM Cc1cccc(C2=CCN(C(=O)c3c([O-])c(O)ccc3F)CC2)c1C ZINC001649135793 1131087761 /nfs/dbraw/zinc/08/77/61/1131087761.db2.gz ZXPCNLLUAKVDFK-UHFFFAOYSA-N -1 1 341.382 3.783 20 10 EHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCCC3(CC3)C2)c1[O-] ZINC000769792735 1133347293 /nfs/dbraw/zinc/34/72/93/1133347293.db2.gz JMHLMYOTEWCTJV-UHFFFAOYSA-N -1 1 337.419 3.705 20 10 EHCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCCC3(CC3)C2)c1[O-] ZINC000769792735 1133347296 /nfs/dbraw/zinc/34/72/96/1133347296.db2.gz JMHLMYOTEWCTJV-UHFFFAOYSA-N -1 1 337.419 3.705 20 10 EHCDMM [O-]c1c(F)cc(Br)cc1CN1CC(Cc2ccoc2)C1 ZINC001184197185 1133905620 /nfs/dbraw/zinc/90/56/20/1133905620.db2.gz MWEZRVGNCZAIFE-UHFFFAOYSA-N -1 1 340.192 3.561 20 10 EHCDMM COc1cccc2c1nc(NCc1c([O-])ccc(Cl)c1F)n2C ZINC000790245264 1134385493 /nfs/dbraw/zinc/38/54/93/1134385493.db2.gz JWVBFGCCLDDCFC-UHFFFAOYSA-N -1 1 335.766 3.692 20 10 EHCDMM Cc1cc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)c(C)c(C)c1O ZINC000775292205 1134616212 /nfs/dbraw/zinc/61/62/12/1134616212.db2.gz VPTPTCFGWDKCAV-UHFFFAOYSA-N -1 1 343.807 3.911 20 10 EHCDMM CCCCc1ccc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)cc1 ZINC001191253352 1134824841 /nfs/dbraw/zinc/82/48/41/1134824841.db2.gz NQNZQLJQBCBHLZ-UHFFFAOYSA-N -1 1 341.379 3.814 20 10 EHCDMM C[C@@H]1[C@H](C(F)(F)F)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000793228561 1134878480 /nfs/dbraw/zinc/87/84/80/1134878480.db2.gz NOHFVOXYMDGGQX-GMSGAONNSA-N -1 1 338.713 3.727 20 10 EHCDMM O=C(Nc1ccnc(Cl)c1Cl)c1ccc(O)c([O-])c1Cl ZINC001193209897 1135114525 /nfs/dbraw/zinc/11/45/25/1135114525.db2.gz PRRUYFMPZUAVIU-UHFFFAOYSA-N -1 1 333.558 3.705 20 10 EHCDMM O=C(Nc1cc(-c2ccncn2)cs1)c1ccc(O)c([O-])c1Cl ZINC001193219991 1135115929 /nfs/dbraw/zinc/11/59/29/1135115929.db2.gz OQMMTAHCTAVMFY-UHFFFAOYSA-N -1 1 347.783 3.522 20 10 EHCDMM CN(C(=O)c1ccc(O)c([O-])c1Cl)C(C)(C)Cc1ccccc1 ZINC001193231914 1135116161 /nfs/dbraw/zinc/11/61/61/1135116161.db2.gz AUYWXOHLDQFALV-UHFFFAOYSA-N -1 1 333.815 3.845 20 10 EHCDMM Cc1cc(Cl)c(NC(=O)c2ccc(O)c([O-])c2Cl)cc1O ZINC001193230099 1135119998 /nfs/dbraw/zinc/11/99/98/1135119998.db2.gz QBBAEMFMVUWYGP-UHFFFAOYSA-N -1 1 328.151 3.671 20 10 EHCDMM COC(=O)c1cc(CN(C)Cc2cc(Cl)cc(F)c2[O-])oc1C ZINC000775644437 1135384257 /nfs/dbraw/zinc/38/42/57/1135384257.db2.gz GSLAGLVSLAGONP-UHFFFAOYSA-N -1 1 341.766 3.505 20 10 EHCDMM [O-]c1c(F)cc(Cl)cc1CN(Cc1ccco1)C[C@@H]1CCCO1 ZINC000775661423 1135434307 /nfs/dbraw/zinc/43/43/07/1135434307.db2.gz NNFPOLXXRFXEOW-HNNXBMFYSA-N -1 1 339.794 3.959 20 10 EHCDMM [O-]c1c(Cl)cccc1CN1CCN(c2cc(F)ccc2F)CC1 ZINC000775695851 1135532616 /nfs/dbraw/zinc/53/26/16/1135532616.db2.gz DRHRIKHXUNJADR-UHFFFAOYSA-N -1 1 338.785 3.646 20 10 EHCDMM CC(=O)N1CCCN(Cc2c([O-])ccc(Cl)c2F)c2ccccc21 ZINC000809786171 1135891343 /nfs/dbraw/zinc/89/13/43/1135891343.db2.gz SBDFHZXVGWZIMV-UHFFFAOYSA-N -1 1 348.805 3.948 20 10 EHCDMM C[C@H]1CN(Cc2cccc(Cl)c2[O-])c2ccccc2N(C)C1=O ZINC000809786381 1135891616 /nfs/dbraw/zinc/89/16/16/1135891616.db2.gz ZQJOLEPUKBXHHE-LBPRGKRZSA-N -1 1 330.815 3.665 20 10 EHCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CC[C@H](n2cc(Cl)cn2)C1 ZINC000811519682 1136098359 /nfs/dbraw/zinc/09/83/59/1136098359.db2.gz BOSALZZELOGQGO-LBPRGKRZSA-N -1 1 346.645 3.996 20 10 EHCDMM Cc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1S(C)(=O)=O ZINC000816565451 1136737320 /nfs/dbraw/zinc/73/73/20/1136737320.db2.gz PFDZJKULVZTXCJ-UHFFFAOYSA-N -1 1 343.807 3.509 20 10 EHCDMM Cc1cc(C(=O)Nc2c(C)[n-][nH]c2=O)c(C)n1-c1cccc(Cl)c1 ZINC000820403079 1136990448 /nfs/dbraw/zinc/99/04/48/1136990448.db2.gz QOUWTEPPXTZXOV-UHFFFAOYSA-N -1 1 344.802 3.737 20 10 EHCDMM COc1c([O-])c(CN2CC3(CCC3)[C@@H]2c2ccco2)ccc1[N+](=O)[O-] ZINC000825104483 1137163559 /nfs/dbraw/zinc/16/35/59/1137163559.db2.gz XYYAOSXRGHJKCT-KRWDZBQOSA-N -1 1 344.367 3.629 20 10 EHCDMM CC(C)(CC[NH2+]Cc1c([O-])cccc1Br)CCC(=O)[O-] ZINC000864504421 1137230314 /nfs/dbraw/zinc/23/03/14/1137230314.db2.gz HJQKVFUQJORIGP-UHFFFAOYSA-N -1 1 344.249 3.525 20 10 EHCDMM CCc1nc(NC(=O)NCc2cccc(Cl)c2[O-])sc1C ZINC001203997147 1137261703 /nfs/dbraw/zinc/26/17/03/1137261703.db2.gz XVTDLUVRZLPPMW-UHFFFAOYSA-N -1 1 325.821 3.695 20 10 EHCDMM CC(C)n1ccc(NCc2cc(Br)cc(F)c2[O-])n1 ZINC000715777579 1137478207 /nfs/dbraw/zinc/47/82/07/1137478207.db2.gz IAMYFUQEFXKYOJ-UHFFFAOYSA-N -1 1 328.185 3.683 20 10 EHCDMM C[C@H](NC(=O)c1ccc(C(F)(F)F)cc1[O-])c1ccccc1O ZINC001171729706 1137506773 /nfs/dbraw/zinc/50/67/73/1137506773.db2.gz GPJPGIDIPFUDNI-VIFPVBQESA-N -1 1 325.286 3.608 20 10 EHCDMM Cc1c(F)nccc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001212843894 1138753917 /nfs/dbraw/zinc/75/39/17/1138753917.db2.gz NKRDLIDNNLDGMX-UHFFFAOYSA-N -1 1 348.333 3.754 20 10 EHCDMM O=C([O-])C[N@H+](Cc1cccc(Cl)c1)Cc1cc(Cl)ccc1[O-] ZINC000739796523 600145488 /nfs/dbraw/zinc/14/54/88/600145488.db2.gz OXSWTZCNLSFECO-UHFFFAOYSA-N -1 1 340.206 3.786 20 10 EHCDMM O=C([O-])C[N@@H+](Cc1cccc(Cl)c1)Cc1cc(Cl)ccc1[O-] ZINC000739796523 600145489 /nfs/dbraw/zinc/14/54/89/600145489.db2.gz OXSWTZCNLSFECO-UHFFFAOYSA-N -1 1 340.206 3.786 20 10 EHCDMM CC(C)[N@H+](CCC(=O)[O-])Cc1cc2oc3ccccc3c2cc1[O-] ZINC000736469062 600609131 /nfs/dbraw/zinc/60/91/31/600609131.db2.gz WXHLANKDLAMCJW-UHFFFAOYSA-N -1 1 327.380 3.977 20 10 EHCDMM CC(C)[N@@H+](CCC(=O)[O-])Cc1cc2oc3ccccc3c2cc1[O-] ZINC000736469062 600609134 /nfs/dbraw/zinc/60/91/34/600609134.db2.gz WXHLANKDLAMCJW-UHFFFAOYSA-N -1 1 327.380 3.977 20 10 EHCDMM O=C([O-])[C@@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])Cc2ccccc21 ZINC001594951273 954950939 /nfs/dbraw/zinc/95/09/39/954950939.db2.gz FITAWERFWPGOSW-LJQANCHMSA-N -1 1 333.387 3.729 20 10 EHCDMM O=C([O-])[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])Cc2ccccc21 ZINC001594951273 954950950 /nfs/dbraw/zinc/95/09/50/954950950.db2.gz FITAWERFWPGOSW-LJQANCHMSA-N -1 1 333.387 3.729 20 10 EHCDMM C[C@H](NCc1coc(-c2ccc(C(=O)[O-])cc2)n1)c1ccccc1O ZINC001599901297 984834000 /nfs/dbraw/zinc/83/40/00/984834000.db2.gz ACNRZYRDDQAQDK-LBPRGKRZSA-N -1 1 338.363 3.596 20 10 EHCDMM COc1ccc(C[C@@H](C)C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890760389 1016384985 /nfs/dbraw/zinc/38/49/85/1016384985.db2.gz QLXBQVRIFMCOKJ-GFCCVEGCSA-N -1 1 333.815 3.549 20 10 EHCDMM O=C(CCC[C@H](O)c1ccccc1)NCc1cccc(Cl)c1[O-] ZINC000890760949 1016388746 /nfs/dbraw/zinc/38/87/46/1016388746.db2.gz GGNRMLKSTFHXSS-INIZCTEOSA-N -1 1 333.815 3.566 20 10 EHCDMM CC(C)[C@H](CC(F)(F)F)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000894334832 1021824400 /nfs/dbraw/zinc/82/44/00/1021824400.db2.gz DNWWAZXNXIEJMP-NSHDSACASA-N -1 1 338.757 3.822 20 10 EHCDMM CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2c2cccc(C)n2)c1O ZINC000160143618 1030557421 /nfs/dbraw/zinc/55/74/21/1030557421.db2.gz BQMZBCSXOFHRGR-SFHVURJKSA-N -1 1 328.387 3.774 20 10 EHCDMM CC[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1c(C)noc1C ZINC000893859364 1039757950 /nfs/dbraw/zinc/75/79/50/1039757950.db2.gz NCHNKDCOZOHEIZ-ZDUSSCGKSA-N -1 1 337.807 3.601 20 10 EHCDMM O=C(CSc1cccc(Br)c1)c1ccc([O-])c(O)c1 ZINC000055308464 1041219482 /nfs/dbraw/zinc/21/94/82/1041219482.db2.gz PJBKKLVGRGCXGV-UHFFFAOYSA-N -1 1 339.210 3.835 20 10 EHCDMM C[C@H]1CCC[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000764766140 1127529102 /nfs/dbraw/zinc/52/91/02/1127529102.db2.gz YCYLBDCASGWSDF-JQWIXIFHSA-N -1 1 341.249 3.533 20 10 EHCDMM C[C@H]1CCC[C@@H]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765751815 1127766720 /nfs/dbraw/zinc/76/67/20/1127766720.db2.gz SOLLCLFVUPONDO-WDEREUQCSA-N -1 1 326.234 3.597 20 10 EHCDMM O=C1CCCN1Cc1ccccc1NCc1cc(Cl)cc(F)c1[O-] ZINC001648998785 1120342473 /nfs/dbraw/zinc/34/24/73/1120342473.db2.gz JNXGIDWQLWVAFI-UHFFFAOYSA-N -1 1 348.805 3.919 20 10 EHCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000766047092 1129946560 /nfs/dbraw/zinc/94/65/60/1129946560.db2.gz FWAXVHZGUSUUCX-UHFFFAOYSA-N -1 1 333.409 3.519 20 10 EHCDMM C[C@@H]1C[C@H](C)C[N@@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000740860624 1131549721 /nfs/dbraw/zinc/54/97/21/1131549721.db2.gz GSTOLXWYOSCWDD-UONOGXRCSA-N -1 1 325.408 3.559 20 10 EHCDMM C[C@@H]1C[C@H](C)C[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000740860624 1131549726 /nfs/dbraw/zinc/54/97/26/1131549726.db2.gz GSTOLXWYOSCWDD-UONOGXRCSA-N -1 1 325.408 3.559 20 10 EHCDMM C[C@@H]1C[C@H](C)C[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000740860624 1131549728 /nfs/dbraw/zinc/54/97/28/1131549728.db2.gz GSTOLXWYOSCWDD-UONOGXRCSA-N -1 1 325.408 3.559 20 10 EHCDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(N2CCCC2)c1 ZINC000743046362 1131842555 /nfs/dbraw/zinc/84/25/55/1131842555.db2.gz CXFHLJCZPIEFNM-UHFFFAOYSA-N -1 1 334.416 3.535 20 10 EHCDMM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc(F)ccc1[O-] ZINC000769715446 1133334563 /nfs/dbraw/zinc/33/45/63/1133334563.db2.gz QXCPCYQFCTTZRB-UHFFFAOYSA-N -1 1 330.403 3.648 20 10 EHCDMM COc1cc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc(Cl)c1[O-] ZINC000785634173 1133734912 /nfs/dbraw/zinc/73/49/12/1133734912.db2.gz IPQRQLYKDQWJOJ-LLVKDONJSA-N -1 1 348.830 3.611 20 10 EHCDMM CC[C@H](N[C@@H](C)c1ncnn1C)c1ccc(Cl)c(Cl)c1[O-] ZINC000788983393 1134199701 /nfs/dbraw/zinc/19/97/01/1134199701.db2.gz MFLWAEFJMPVDKX-KWQFWETISA-N -1 1 329.231 3.629 20 10 EHCDMM COc1cccc(Cl)c1CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000790697436 1134454485 /nfs/dbraw/zinc/45/44/85/1134454485.db2.gz KWUZPAAMYHVBME-JTQLQIEISA-N -1 1 336.775 3.813 20 10 EHCDMM COC(=O)CCc1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000792178032 1134663079 /nfs/dbraw/zinc/66/30/79/1134663079.db2.gz BGQGTQGXGZNQIY-UHFFFAOYSA-N -1 1 337.778 3.902 20 10 EHCDMM CCCCOc1cc(F)ccc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170314724 1134745902 /nfs/dbraw/zinc/74/59/02/1134745902.db2.gz GIQAIRZWANYKRB-UHFFFAOYSA-N -1 1 333.359 3.711 20 10 EHCDMM COc1ccc2ncc(NC(=O)c3ccc(O)c([O-])c3Cl)cc2c1 ZINC001193220838 1135115641 /nfs/dbraw/zinc/11/56/41/1135115641.db2.gz YFVTZDVWMRFNCB-UHFFFAOYSA-N -1 1 344.754 3.560 20 10 EHCDMM CC(C)NC(=O)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000809635758 1135863909 /nfs/dbraw/zinc/86/39/09/1135863909.db2.gz KGGVLWLBLSUCSY-UHFFFAOYSA-N -1 1 336.794 3.935 20 10 EHCDMM CC(=O)N1CCc2cc(NCc3cc(Cl)cc(F)c3[O-])ccc21 ZINC001199514271 1135910551 /nfs/dbraw/zinc/91/05/51/1135910551.db2.gz GTPBQCHECNVVAV-UHFFFAOYSA-N -1 1 334.778 3.706 20 10 EHCDMM [O-]c1c(F)cc(Cl)cc1CN1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811518085 1136098421 /nfs/dbraw/zinc/09/84/21/1136098421.db2.gz GJDUANFPMCOCMS-GOEBONIOSA-N -1 1 325.811 3.718 20 10 EHCDMM CC(C)(C)c1ccnc(NCc2cccc(Br)c2[O-])n1 ZINC000814880726 1136519347 /nfs/dbraw/zinc/51/93/47/1136519347.db2.gz CJDVEBDEXDRZFU-UHFFFAOYSA-N -1 1 336.233 3.854 20 10 EHCDMM Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)ccc1O ZINC000776748723 1136629241 /nfs/dbraw/zinc/62/92/41/1136629241.db2.gz YIPUTYVMSJWQIP-UHFFFAOYSA-N -1 1 347.436 3.730 20 10 EHCDMM COc1ccc(NCc2cccc(Br)c2[O-])c(F)c1 ZINC000864042878 1137212960 /nfs/dbraw/zinc/21/29/60/1137212960.db2.gz YOZKEUCSWCDQMM-UHFFFAOYSA-N -1 1 326.165 3.915 20 10 EHCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccc([O-])c(Cl)c1 ZINC000865027080 1137258987 /nfs/dbraw/zinc/25/89/87/1137258987.db2.gz GPCUWGSMIIWWHR-UHFFFAOYSA-N -1 1 346.858 3.703 20 10 EHCDMM CCCOc1ccc(CNCc2ccc(C(=O)[O-])c(CC)n2)cc1C ZINC000871877933 1137562047 /nfs/dbraw/zinc/56/20/47/1137562047.db2.gz ZPPRYIGAMWGMCI-UHFFFAOYSA-N -1 1 342.439 3.729 20 10 EHCDMM O=C([O-])NC1CC[NH+](Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000740596845 602310907 /nfs/dbraw/zinc/31/09/07/602310907.db2.gz QHJVOJFPSFVGOR-UHFFFAOYSA-N -1 1 340.379 3.524 20 10 EHCDMM CCCOc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1C ZINC001595961235 983158037 /nfs/dbraw/zinc/15/80/37/983158037.db2.gz WFVISAWLBZRGCX-SFHVURJKSA-N -1 1 331.387 3.838 20 10 EHCDMM CC(C)[C@H](C)[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000728196589 1014939601 /nfs/dbraw/zinc/93/96/01/1014939601.db2.gz VEVKVODWZGZHQL-AWEZNQCLSA-N -1 1 327.424 3.805 20 10 EHCDMM CCN(CC)c1ccc(CN(C)Cc2cc(C)c(C(=O)[O-])o2)cc1 ZINC001596289982 983710775 /nfs/dbraw/zinc/71/07/75/983710775.db2.gz UGWZEMNEGAWKOW-UHFFFAOYSA-N -1 1 330.428 3.764 20 10 EHCDMM C[C@@H](NCc1cc(-c2ccccc2)on1)c1cc(C(=O)[O-])ccc1O ZINC001593288771 994659166 /nfs/dbraw/zinc/65/91/66/994659166.db2.gz NIEFAQKWZIPKPO-GFCCVEGCSA-N -1 1 338.363 3.596 20 10 EHCDMM CCCCn1ncc(C(=O)NCc2cccc(Cl)c2[O-])c1CC ZINC000890759058 1016380489 /nfs/dbraw/zinc/38/04/89/1016380489.db2.gz BDWXEDBOYRIACD-UHFFFAOYSA-N -1 1 335.835 3.535 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc([C@H]2CCCOC2)cc1 ZINC000890759942 1016381011 /nfs/dbraw/zinc/38/10/11/1016381011.db2.gz WUAVHTGKBBLCNQ-INIZCTEOSA-N -1 1 345.826 3.870 20 10 EHCDMM COc1ccc([C@@H](C)CC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890760571 1016384124 /nfs/dbraw/zinc/38/41/24/1016384124.db2.gz UCMQWVXRIOBHHA-LBPRGKRZSA-N -1 1 333.815 3.864 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])NC1CCC2(CC2(F)F)CC1 ZINC000895831099 1024895300 /nfs/dbraw/zinc/89/53/00/1024895300.db2.gz SGXFMVHWSAHUJV-UHFFFAOYSA-N -1 1 344.789 3.813 20 10 EHCDMM [O-]c1cc(F)c(F)cc1CN1Cc2cccc(Br)c2C1 ZINC001142525090 1033258404 /nfs/dbraw/zinc/25/84/04/1033258404.db2.gz XAHFLXWMQHOCEX-UHFFFAOYSA-N -1 1 340.167 3.949 20 10 EHCDMM CCc1nnc([C@H](C)N[C@@H](C)c2ccc(Cl)c(Cl)c2[O-])[nH]1 ZINC000273479096 1027450180 /nfs/dbraw/zinc/45/01/80/1027450180.db2.gz LPXVRSBDUPTTEQ-YUMQZZPRSA-N -1 1 329.231 3.791 20 10 EHCDMM C[C@H](NCc1nc(C(C)(C)C)cs1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273587790 1027507366 /nfs/dbraw/zinc/50/73/66/1027507366.db2.gz OEHPBPVVRWEHOZ-JTQLQIEISA-N -1 1 335.429 3.905 20 10 EHCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccc(N(C)C)cc1 ZINC000894287609 1028814772 /nfs/dbraw/zinc/81/47/72/1028814772.db2.gz WIVXHBOCHHUKKX-GFCCVEGCSA-N -1 1 347.846 3.672 20 10 EHCDMM CC[C@@H](C)C[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764792909 1127534271 /nfs/dbraw/zinc/53/42/71/1127534271.db2.gz ZKZRBDKMYKJFDX-MNOVXSKESA-N -1 1 343.265 3.779 20 10 EHCDMM CC1(C)CCC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765735660 1127758220 /nfs/dbraw/zinc/75/82/20/1127758220.db2.gz IGRBHHPFDOWIOJ-NSHDSACASA-N -1 1 340.261 3.987 20 10 EHCDMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC000765746429 1127763484 /nfs/dbraw/zinc/76/34/84/1127763484.db2.gz GPGRSOCIXUQALI-LLVKDONJSA-N -1 1 334.213 3.575 20 10 EHCDMM Cc1ccc(C)n1-c1ccc(-c2noc(-c3ncccc3[O-])n2)cc1 ZINC001212481057 1129085833 /nfs/dbraw/zinc/08/58/33/1129085833.db2.gz YDEXUCCIFVJDMZ-UHFFFAOYSA-N -1 1 332.363 3.912 20 10 EHCDMM CC(C)Cc1nnc(NCc2cccc(Br)c2[O-])s1 ZINC000181541920 1124920722 /nfs/dbraw/zinc/92/07/22/1124920722.db2.gz HIYMGAFZBOZBGX-UHFFFAOYSA-N -1 1 342.262 3.817 20 10 EHCDMM CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000744441618 1132101493 /nfs/dbraw/zinc/10/14/93/1132101493.db2.gz PRLTUGAXYQXHFO-ZBFHGGJFSA-N -1 1 339.435 3.949 20 10 EHCDMM CC[C@H]1C[C@@H](C)C[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000744441618 1132101494 /nfs/dbraw/zinc/10/14/94/1132101494.db2.gz PRLTUGAXYQXHFO-ZBFHGGJFSA-N -1 1 339.435 3.949 20 10 EHCDMM O=C(COc1ccc(F)c(Cl)c1)NCc1cccc(Cl)c1[O-] ZINC001180410942 1133371433 /nfs/dbraw/zinc/37/14/33/1133371433.db2.gz VSXZJAVPQFSZLZ-UHFFFAOYSA-N -1 1 344.169 3.533 20 10 EHCDMM O=C(CNc1nc(Cl)c(Cl)cc1Cl)c1ccc([O-])c(O)c1 ZINC001170313860 1134745681 /nfs/dbraw/zinc/74/56/81/1134745681.db2.gz FOZKXLPCIPOZRU-UHFFFAOYSA-N -1 1 347.585 3.748 20 10 EHCDMM O=C(CNc1ccc2cc(C(F)F)cnc2c1)c1ccc([O-])c(O)c1 ZINC001170320736 1134746499 /nfs/dbraw/zinc/74/64/99/1134746499.db2.gz LFHDNFBQAQCPNT-UHFFFAOYSA-N -1 1 344.317 3.878 20 10 EHCDMM Cc1ccc(-c2ccnc(NCC(=O)c3ccc([O-])c(O)c3)c2)cc1 ZINC001170316822 1134746712 /nfs/dbraw/zinc/74/67/12/1134746712.db2.gz PVCFJZAKRVCZSY-UHFFFAOYSA-N -1 1 334.375 3.763 20 10 EHCDMM Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(O)c(F)c2)c2ccccc12 ZINC001193856824 1135196441 /nfs/dbraw/zinc/19/64/41/1135196441.db2.gz FTWDGNBGKHSBBK-UHFFFAOYSA-N -1 1 349.358 3.933 20 10 EHCDMM Cc1ccc([O-])c(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)n1 ZINC001195326239 1135406287 /nfs/dbraw/zinc/40/62/87/1135406287.db2.gz MMLQLMVZCODNCK-UHFFFAOYSA-N -1 1 333.391 3.525 20 10 EHCDMM Cc1n[nH]c(C(C)C)c1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807840167 1135576539 /nfs/dbraw/zinc/57/65/39/1135576539.db2.gz SCEGRFJJDRXPEL-UHFFFAOYSA-N -1 1 342.226 3.784 20 10 EHCDMM C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])c2ccccc2N(C)C1=O ZINC000809786103 1135891476 /nfs/dbraw/zinc/89/14/76/1135891476.db2.gz OVBIWKCOGGPZHF-NSHDSACASA-N -1 1 348.805 3.804 20 10 EHCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(C2CCCC2)cc1 ZINC000812242227 1136188004 /nfs/dbraw/zinc/18/80/04/1136188004.db2.gz SVVSHQNQRNWVQI-RGEXLXHISA-N -1 1 332.403 3.806 20 10 EHCDMM CC[C@H](NCc1cn(CC)nn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850522291 1136276258 /nfs/dbraw/zinc/27/62/58/1136276258.db2.gz MCPILXXEGCRDGA-LBPRGKRZSA-N -1 1 329.231 3.551 20 10 EHCDMM O=C1CCCN1c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816522711 1136733638 /nfs/dbraw/zinc/73/36/38/1136733638.db2.gz KULUCHYDJNBBAJ-UHFFFAOYSA-N -1 1 334.778 3.924 20 10 EHCDMM C[C@H]1CCCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000819513162 1136949735 /nfs/dbraw/zinc/94/97/35/1136949735.db2.gz BCXDSQABJDSCDG-JQWIXIFHSA-N -1 1 326.234 3.597 20 10 EHCDMM C[C@H]1CN(C(=O)c2c([O-])c(O)ccc2F)CCc2ccc(Cl)cc21 ZINC000846659603 1137360898 /nfs/dbraw/zinc/36/08/98/1137360898.db2.gz UGELPMAIEKUNDE-JTQLQIEISA-N -1 1 349.789 3.692 20 10 EHCDMM [O-]c1c(Cl)cccc1CNc1cc(F)cc(N2CCOCC2)c1 ZINC000282810582 1137454923 /nfs/dbraw/zinc/45/49/23/1137454923.db2.gz OHQXDVQZAOPJCP-UHFFFAOYSA-N -1 1 336.794 3.633 20 10 EHCDMM O=C1c2ccccc2N[C@@H](c2cc(Cl)c(F)cc2[O-])N1C1CC1 ZINC000877842214 1137692992 /nfs/dbraw/zinc/69/29/92/1137692992.db2.gz FNILGSHXTPXQLG-MRXNPFEDSA-N -1 1 332.762 3.914 20 10 EHCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000883035088 1137842305 /nfs/dbraw/zinc/84/23/05/1137842305.db2.gz QPKQFVKITAJWJC-ROUUACIJSA-N -1 1 349.377 3.965 20 10 EHCDMM C[C@@H](Nc1cccc([C@]2(C)COC(=O)N2)c1)c1cc(F)cc(F)c1[O-] ZINC000883329902 1137855358 /nfs/dbraw/zinc/85/53/58/1137855358.db2.gz UDSIAIABIFWQKH-MGNBDDOMSA-N -1 1 348.349 3.799 20 10 EHCDMM CN(C)c1cc(F)cc(NC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001626123140 1137871683 /nfs/dbraw/zinc/87/16/83/1137871683.db2.gz DACVEVZKPBEKAX-UHFFFAOYSA-N -1 1 337.782 3.572 20 10 EHCDMM CN(Cc1cc(C(=O)[O-])co1)Cc1ccc(N2CCCCC2)cc1 ZINC000737476185 599888371 /nfs/dbraw/zinc/88/83/71/599888371.db2.gz FUMVFGIFCLMAOA-UHFFFAOYSA-N -1 1 328.412 3.600 20 10 EHCDMM CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2)c1[O-] ZINC000825942395 601418924 /nfs/dbraw/zinc/41/89/24/601418924.db2.gz WTYXYDILJVVBDO-INIZCTEOSA-N -1 1 347.798 3.506 20 10 EHCDMM CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H](C(=O)[O-])c2ccccc2)c1[O-] ZINC000825942395 601418926 /nfs/dbraw/zinc/41/89/26/601418926.db2.gz WTYXYDILJVVBDO-INIZCTEOSA-N -1 1 347.798 3.506 20 10 EHCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC(CF)CC1 ZINC000708075399 1026698275 /nfs/dbraw/zinc/69/82/75/1026698275.db2.gz MRGQQGUUEQKEAV-UHFFFAOYSA-N -1 1 336.632 3.990 20 10 EHCDMM CN(C)c1ccc(CN(Cc2ccc(C(=O)[O-])cc2F)C2CC2)cc1 ZINC001598318206 991312733 /nfs/dbraw/zinc/31/27/33/991312733.db2.gz SJDIMFIBHYKAPJ-UHFFFAOYSA-N -1 1 342.414 3.755 20 10 EHCDMM C[C@H](N[C@@H](C)c1cc(Cl)ccc1O)c1ncc(C(=O)[O-])s1 ZINC001593198028 994167703 /nfs/dbraw/zinc/16/77/03/994167703.db2.gz NIHAOOVLINJGOF-YUMQZZPRSA-N -1 1 326.805 3.612 20 10 EHCDMM C[C@H](CCc1ccc(O)cc1)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000891699696 1022382191 /nfs/dbraw/zinc/38/21/91/1022382191.db2.gz CYKYVSTZOUHUQU-GFCCVEGCSA-N -1 1 348.830 3.572 20 10 EHCDMM CC(C)(C)c1csc(C(=O)[N-]c2c3nonc3ccc2Cl)n1 ZINC001271356603 1025479064 /nfs/dbraw/zinc/47/90/64/1025479064.db2.gz NYQPUGOYYXULOS-UHFFFAOYSA-N -1 1 336.804 3.883 20 10 EHCDMM Cc1cc(Br)c([O-])c(CN2CCC[C@H]2c2ncc[nH]2)c1 ZINC000761510537 1037083154 /nfs/dbraw/zinc/08/31/54/1037083154.db2.gz IVIRJEVAFYLYIE-ZDUSSCGKSA-N -1 1 336.233 3.523 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])NC1CCCCCC1 ZINC000765444308 1127612082 /nfs/dbraw/zinc/61/20/82/1127612082.db2.gz DNWKPARUDOHHFU-UHFFFAOYSA-N -1 1 341.249 3.677 20 10 EHCDMM CC[C@H](CC(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000765758487 1127895718 /nfs/dbraw/zinc/89/57/18/1127895718.db2.gz YPXAFQGHBHGWIA-LLVKDONJSA-N -1 1 328.250 3.843 20 10 EHCDMM CCCCS[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765770361 1128160034 /nfs/dbraw/zinc/16/00/34/1128160034.db2.gz OWQZRGFVMKYUEI-SNVBAGLBSA-N -1 1 346.290 3.693 20 10 EHCDMM [O-]c1c(F)cc(Br)cc1CN1CC[C@@H](C(F)(F)F)C1 ZINC000715737559 1128980493 /nfs/dbraw/zinc/98/04/93/1128980493.db2.gz LAJJQSHUGVSALP-MRVPVSSYSA-N -1 1 342.130 3.678 20 10 EHCDMM C[C@H]1CN(Cc2cc(F)cc(Br)c2[O-])CCC1(F)F ZINC001235295721 1121452060 /nfs/dbraw/zinc/45/20/60/1121452060.db2.gz FJGXPVMFTTWJCS-QMMMGPOBSA-N -1 1 338.167 3.771 20 10 EHCDMM Cc1c(F)c(F)ccc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001670875833 1121788502 /nfs/dbraw/zinc/78/85/02/1121788502.db2.gz ULDQEQNGJPULGE-UHFFFAOYSA-N -1 1 326.730 3.954 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(-c2ccc(F)cc2)on1 ZINC001180410337 1133371188 /nfs/dbraw/zinc/37/11/88/1133371188.db2.gz NSZJIUASTSESRO-UHFFFAOYSA-N -1 1 346.745 3.770 20 10 EHCDMM Cc1cc(Br)oc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001180409876 1133371503 /nfs/dbraw/zinc/37/15/03/1133371503.db2.gz HIFOTUNLYAMONX-UHFFFAOYSA-N -1 1 344.592 3.640 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])c1c[nH]cc1Cc1ccccc1 ZINC001180420196 1133373144 /nfs/dbraw/zinc/37/31/44/1133373144.db2.gz IFEVCBVUJLOLBU-UHFFFAOYSA-N -1 1 340.810 3.895 20 10 EHCDMM COCCN(Cc1scnc1C)Cc1cc(Cl)cc(F)c1[O-] ZINC000787311300 1133993835 /nfs/dbraw/zinc/99/38/35/1133993835.db2.gz VDWMEYFBJNOFIJ-UHFFFAOYSA-N -1 1 344.839 3.598 20 10 EHCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1cc2ccccc2s1 ZINC001185463932 1134093180 /nfs/dbraw/zinc/09/31/80/1134093180.db2.gz JHAWMUVQPXWSKS-UHFFFAOYSA-N -1 1 341.360 3.686 20 10 EHCDMM Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1ccc([O-])c(F)c1 ZINC001186243079 1134186217 /nfs/dbraw/zinc/18/62/17/1134186217.db2.gz XHTMMDMOUIGQSV-GOSISDBHSA-N -1 1 343.398 3.907 20 10 EHCDMM O=S(=O)(Nc1cc(F)c([O-])cc1F)c1csc2ccccc21 ZINC001186497953 1134222483 /nfs/dbraw/zinc/22/24/83/1134222483.db2.gz LQWRVRAJAHPWPV-UHFFFAOYSA-N -1 1 341.360 3.686 20 10 EHCDMM Cn1ccc2ccc(NCc3c([O-])ccc(Cl)c3F)cc2c1=O ZINC000790637658 1134445080 /nfs/dbraw/zinc/44/50/80/1134445080.db2.gz KXOYDALZZMTNIM-UHFFFAOYSA-N -1 1 332.762 3.649 20 10 EHCDMM CCNC(=O)N(C)c1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000793318097 1134902940 /nfs/dbraw/zinc/90/29/40/1134902940.db2.gz PFHWJSNCDZWVGE-UHFFFAOYSA-N -1 1 333.819 3.823 20 10 EHCDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)C(Cl)(Cl)Cl ZINC001192032446 1134957991 /nfs/dbraw/zinc/95/79/91/1134957991.db2.gz RJBLYPZLQLNWJE-UHFFFAOYSA-N -1 1 346.663 3.893 20 10 EHCDMM CC1(C)CN(C(=O)c2ccc(O)c([O-])c2Cl)Cc2ccccc21 ZINC001193232804 1135116548 /nfs/dbraw/zinc/11/65/48/1135116548.db2.gz PRCFZACLXBLZSH-UHFFFAOYSA-N -1 1 331.799 3.685 20 10 EHCDMM O=C(Nc1cccc2cc(O)ccc21)c1ccc(O)c([O-])c1Cl ZINC001193229238 1135119640 /nfs/dbraw/zinc/11/96/40/1135119640.db2.gz GNTJKALMUUABBK-UHFFFAOYSA-N -1 1 329.739 3.862 20 10 EHCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cccc2c(Cl)nccc21 ZINC001194491086 1135278051 /nfs/dbraw/zinc/27/80/51/1135278051.db2.gz UWPUBLMRHXHGBX-UHFFFAOYSA-N -1 1 348.811 3.703 20 10 EHCDMM CCc1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)s1 ZINC000808113927 1135618941 /nfs/dbraw/zinc/61/89/41/1135618941.db2.gz MNWWTQUAQMWRLO-UHFFFAOYSA-N -1 1 335.809 3.609 20 10 EHCDMM CC1(CC(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000809798753 1135888822 /nfs/dbraw/zinc/88/88/22/1135888822.db2.gz RPEQMMVDZRRNOY-UHFFFAOYSA-N -1 1 326.234 3.741 20 10 EHCDMM [O-]c1c(F)cc(Cl)cc1CN1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811518087 1136098072 /nfs/dbraw/zinc/09/80/72/1136098072.db2.gz GJDUANFPMCOCMS-ZBFHGGJFSA-N -1 1 325.811 3.718 20 10 EHCDMM O=C1[N-]C(=S)S/C1=C\c1cccc(OCc2ccc(F)cc2)c1 ZINC000005860474 1136124969 /nfs/dbraw/zinc/12/49/69/1136124969.db2.gz WZFMOBHNKNWWIT-DHDCSXOGSA-N -1 1 345.420 3.894 20 10 EHCDMM C[C@@H]1Oc2ccc(NCc3cc(Cl)c(F)cc3[O-])cc2NC1=O ZINC000816536632 1136731287 /nfs/dbraw/zinc/73/12/87/1136731287.db2.gz FIHCFITXSRBUHZ-QMMMGPOBSA-N -1 1 336.750 3.516 20 10 EHCDMM [O-]c1cc(F)c(Cl)cc1CNc1ccc(-n2cncn2)c(F)c1 ZINC000816525306 1136733621 /nfs/dbraw/zinc/73/36/21/1136733621.db2.gz NNIRBTSVGFJDHR-UHFFFAOYSA-N -1 1 336.729 3.517 20 10 EHCDMM C[C@H](NCc1ncc(Br)s1)c1c([O-])cccc1F ZINC000886648472 1138106606 /nfs/dbraw/zinc/10/66/06/1138106606.db2.gz UUHKMIRXCFAHHW-ZETCQYMHSA-N -1 1 331.210 3.601 20 10 EHCDMM CC[N@H+](Cc1nccs1)Cc1cc(Br)ccc1O ZINC000269677416 1141134439 /nfs/dbraw/zinc/13/44/39/1141134439.db2.gz CUBBGHYKFQEQJM-UHFFFAOYSA-N -1 1 327.247 3.633 20 10 EHCDMM CCc1ccccc1CC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001597609872 988500738 /nfs/dbraw/zinc/50/07/38/988500738.db2.gz XBONTEWTNNNWQY-UHFFFAOYSA-N -1 1 347.842 3.737 20 10 EHCDMM CCc1ccccc1CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001597609872 988500743 /nfs/dbraw/zinc/50/07/43/988500743.db2.gz XBONTEWTNNNWQY-UHFFFAOYSA-N -1 1 347.842 3.737 20 10 EHCDMM CCc1oc(CNCc2ccc(N(CC)CC)cc2)cc1C(=O)[O-] ZINC001597805610 989415762 /nfs/dbraw/zinc/41/57/62/989415762.db2.gz KKKQEONFTVPBKT-UHFFFAOYSA-N -1 1 330.428 3.676 20 10 EHCDMM Cc1c(C(=O)NCc2cccc(Cl)c2[O-])cnn1CCC(C)C ZINC000890760129 1016380245 /nfs/dbraw/zinc/38/02/45/1016380245.db2.gz JCEUYICNKAOYNI-UHFFFAOYSA-N -1 1 335.835 3.527 20 10 EHCDMM CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(Cl)c2[O-])c1C(C)C ZINC000890760555 1016383624 /nfs/dbraw/zinc/38/36/24/1016383624.db2.gz SXRBOVPIKRWVOD-UHFFFAOYSA-N -1 1 348.830 3.938 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000890763185 1016417380 /nfs/dbraw/zinc/41/73/80/1016417380.db2.gz QLNBOEXWTXQPPG-VNQPRFMTSA-N -1 1 348.229 3.901 20 10 EHCDMM CCCNc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000894451223 1022300197 /nfs/dbraw/zinc/30/01/97/1022300197.db2.gz GEQURLZDXCBJIO-UHFFFAOYSA-N -1 1 347.846 3.867 20 10 EHCDMM [O-]c1c(Br)cccc1CNc1ccc(-n2cccn2)cc1 ZINC000048796045 1022894258 /nfs/dbraw/zinc/89/42/58/1022894258.db2.gz SIXGRYLRLMSFDH-UHFFFAOYSA-N -1 1 344.212 3.953 20 10 EHCDMM Cc1csc(C2(N[C@H](C)c3cc([N+](=O)[O-])ccc3[O-])CCC2)n1 ZINC000273474366 1027446787 /nfs/dbraw/zinc/44/67/87/1027446787.db2.gz KMCQAZFIHIEDFU-LLVKDONJSA-N -1 1 333.413 3.795 20 10 EHCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000174728275 1037436578 /nfs/dbraw/zinc/43/65/78/1037436578.db2.gz QHTZHXRVSYIBQF-UHFFFAOYSA-N -1 1 349.305 3.659 20 10 EHCDMM Cc1nnc(-c2cccc(NCc3cccc(Cl)c3[O-])c2)n1C ZINC000378442408 1038623333 /nfs/dbraw/zinc/62/33/33/1038623333.db2.gz NDPMWJKCZAOJND-UHFFFAOYSA-N -1 1 328.803 3.762 20 10 EHCDMM CCOC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894026482 1039991054 /nfs/dbraw/zinc/99/10/54/1039991054.db2.gz LPLWWPMFAHRFTG-LLVKDONJSA-N -1 1 346.240 3.542 20 10 EHCDMM O=C(NCCC1CCCC1)NCc1cccc(Br)c1[O-] ZINC000764764088 1127530224 /nfs/dbraw/zinc/53/02/24/1127530224.db2.gz XPLQCBVCZHIXAW-UHFFFAOYSA-N -1 1 341.249 3.534 20 10 EHCDMM CCc1cc(C)c(C(=O)NCc2cccc(Br)c2[O-])o1 ZINC000765727907 1127745398 /nfs/dbraw/zinc/74/53/98/1127745398.db2.gz QTYKNTSRIINALV-UHFFFAOYSA-N -1 1 338.201 3.549 20 10 EHCDMM CC1(C)CCC(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000765750879 1127765985 /nfs/dbraw/zinc/76/59/85/1127765985.db2.gz NENQZCWXQHYUHA-UHFFFAOYSA-N -1 1 340.261 3.987 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])C1(c2ccccc2)CC1 ZINC000765754835 1127800853 /nfs/dbraw/zinc/80/08/53/1127800853.db2.gz WYRRUOMGVPRNBN-UHFFFAOYSA-N -1 1 346.224 3.503 20 10 EHCDMM CC[C@@H](C)[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC001670803953 1120265266 /nfs/dbraw/zinc/26/52/66/1120265266.db2.gz FUUCDBHAAQPMJB-PRHODGIISA-N -1 1 338.757 3.822 20 10 EHCDMM CN(C)c1ccc(CN(C(=O)c2ccc(Cl)cc2[O-])C2CC2)cc1 ZINC000914484404 1120809538 /nfs/dbraw/zinc/80/95/38/1120809538.db2.gz JHSJLAQENDNRPR-UHFFFAOYSA-N -1 1 344.842 3.916 20 10 EHCDMM Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cccc(Br)c1O ZINC000179707544 1123828770 /nfs/dbraw/zinc/82/87/70/1123828770.db2.gz HXAOKFBDFUBTBX-HNNXBMFYSA-N -1 1 335.245 3.830 20 10 EHCDMM [O-]c1c(F)cc(Cl)cc1CNc1ccccc1O[C@H]1CCOC1 ZINC001178010574 1133123572 /nfs/dbraw/zinc/12/35/72/1133123572.db2.gz XNMSYUYLPDFVMF-ZDUSSCGKSA-N -1 1 337.778 3.965 20 10 EHCDMM CNC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1Cl ZINC000789890926 1134346195 /nfs/dbraw/zinc/34/61/95/1134346195.db2.gz YPQDUKYRPLUBPU-UHFFFAOYSA-N -1 1 343.185 3.810 20 10 EHCDMM Cc1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)ccc1O ZINC000790337126 1134405255 /nfs/dbraw/zinc/40/52/55/1134405255.db2.gz UOHPSHYHWXADKF-UHFFFAOYSA-N -1 1 349.305 3.659 20 10 EHCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000790417755 1134414266 /nfs/dbraw/zinc/41/42/66/1134414266.db2.gz NKPNLYUWSKMIQR-UHFFFAOYSA-N -1 1 347.436 3.594 20 10 EHCDMM COCCn1ncc2ccc(NCc3c([O-])ccc(Cl)c3F)cc21 ZINC000790984609 1134496104 /nfs/dbraw/zinc/49/61/04/1134496104.db2.gz VYQVRCTUBYPDCB-UHFFFAOYSA-N -1 1 349.793 3.793 20 10 EHCDMM CC(C)Oc1ccc(NCc2cccc(Cl)c2[O-])cc1C(N)=O ZINC000793381789 1134919504 /nfs/dbraw/zinc/91/95/04/1134919504.db2.gz DRMUCTJTMDVMLN-UHFFFAOYSA-N -1 1 334.803 3.544 20 10 EHCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCc2c(oc3ccccc32)C1 ZINC001193233248 1135116772 /nfs/dbraw/zinc/11/67/72/1135116772.db2.gz WWWFEQXMYWKIQT-UHFFFAOYSA-N -1 1 343.766 3.696 20 10 EHCDMM Cc1c(C)c(NC(=O)c2ccc(O)c([O-])c2Cl)c(C)c(C)c1N ZINC001193229088 1135119647 /nfs/dbraw/zinc/11/96/47/1135119647.db2.gz CYKKUJSKLZUOAM-UHFFFAOYSA-N -1 1 334.803 3.819 20 10 EHCDMM CN(Cc1cccc2cccnc21)C(=O)c1ccc(O)c([O-])c1Cl ZINC001193225002 1135119868 /nfs/dbraw/zinc/11/98/68/1135119868.db2.gz FDKCDTZLABTQQY-UHFFFAOYSA-N -1 1 342.782 3.572 20 10 EHCDMM CCOc1ccccc1N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000775638451 1135374023 /nfs/dbraw/zinc/37/40/23/1135374023.db2.gz IHDZKPHPFPDAFR-UHFFFAOYSA-N -1 1 346.858 3.767 20 10 EHCDMM C[C@H]1CCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000775691873 1135531782 /nfs/dbraw/zinc/53/17/82/1135531782.db2.gz HPGRZKVITVFBCM-QMMMGPOBSA-N -1 1 349.066 3.902 20 10 EHCDMM C[C@H]1COCCN1c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC000775758400 1135643965 /nfs/dbraw/zinc/64/39/65/1135643965.db2.gz QZTPRHPECKSUSQ-ZDUSSCGKSA-N -1 1 332.831 3.883 20 10 EHCDMM C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)c2ccccc2N(C)C1=O ZINC000809786113 1135891534 /nfs/dbraw/zinc/89/15/34/1135891534.db2.gz PPKIQGKHMDWFQN-LLVKDONJSA-N -1 1 348.805 3.804 20 10 EHCDMM CC(=O)c1cc(Cl)cc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000810026890 1135911767 /nfs/dbraw/zinc/91/17/67/1135911767.db2.gz XNHZGYNDYVNJAE-DOTOQJQBSA-N -1 1 337.847 3.638 20 10 EHCDMM O=C1CCN(Cc2cccc(Br)c2[O-])c2ccccc2N1 ZINC000811508324 1136101782 /nfs/dbraw/zinc/10/17/82/1136101782.db2.gz LZHBIKSALPBUCA-UHFFFAOYSA-N -1 1 347.212 3.504 20 10 EHCDMM COC(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816491356 1136724101 /nfs/dbraw/zinc/72/41/01/1136724101.db2.gz JHNGFBQYPYATFV-UHFFFAOYSA-N -1 1 337.778 3.603 20 10 EHCDMM O=C(Nc1ccc(NCc2cc(Cl)c(F)cc2[O-])cn1)C1CC1 ZINC000816563952 1136737586 /nfs/dbraw/zinc/73/75/86/1136737586.db2.gz PHAWULLGHUKFEC-UHFFFAOYSA-N -1 1 335.766 3.540 20 10 EHCDMM CC(C)Oc1ccccc1[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000825471971 1137178750 /nfs/dbraw/zinc/17/87/50/1137178750.db2.gz FXVZFGFNICJIGD-NSHDSACASA-N -1 1 333.359 3.515 20 10 EHCDMM O=S(=O)(Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc(F)c1 ZINC000130178402 1137834790 /nfs/dbraw/zinc/83/47/90/1137834790.db2.gz KBMIRINAVBSORL-UHFFFAOYSA-N -1 1 336.171 3.639 20 10 EHCDMM C[C@@H]1CN(c2ccc(NCc3cc(F)cc(F)c3[O-])cc2)C[C@@H](C)O1 ZINC000883059107 1137843070 /nfs/dbraw/zinc/84/30/70/1137843070.db2.gz MAMXTWRMTHOJNL-CHWSQXEVSA-N -1 1 348.393 3.896 20 10 EHCDMM O=C(CCCOCCc1ccccc1)NCc1cccc(Cl)c1[O-] ZINC000890757695 1016368287 /nfs/dbraw/zinc/36/82/87/1016368287.db2.gz IJMKNEQYHJLJBU-UHFFFAOYSA-N -1 1 347.842 3.701 20 10 EHCDMM C[C@H](N[C@H](c1nccn1C)c1ccccc1F)c1ccc(F)cc1[O-] ZINC000368220514 1031169662 /nfs/dbraw/zinc/16/96/62/1031169662.db2.gz FSEOROHWLLAINY-SGTLLEGYSA-N -1 1 343.377 3.844 20 10 EHCDMM C[C@@H](N[C@@H](C)c1noc(-c2ccccc2)n1)c1ccc(F)cc1[O-] ZINC000185766798 1035530198 /nfs/dbraw/zinc/53/01/98/1035530198.db2.gz HXRKVJUJDXFDMZ-NEPJUHHUSA-N -1 1 327.359 3.993 20 10 EHCDMM [O-]c1c(F)cc(F)cc1CNc1ncc(C2CCOCC2)s1 ZINC000905414477 1038870869 /nfs/dbraw/zinc/87/08/69/1038870869.db2.gz NFMOHSMTJVOSDO-UHFFFAOYSA-N -1 1 326.368 3.633 20 10 EHCDMM C[C@@H](CCC1CC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764803669 1127535964 /nfs/dbraw/zinc/53/59/64/1127535964.db2.gz FKRGUPLAEVSPRX-JTQLQIEISA-N -1 1 341.249 3.533 20 10 EHCDMM CCc1ccsc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765731951 1127748247 /nfs/dbraw/zinc/74/82/47/1127748247.db2.gz NLOTWMCINXTLLL-UHFFFAOYSA-N -1 1 340.242 3.709 20 10 EHCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])c(C)s1 ZINC000765752930 1127765790 /nfs/dbraw/zinc/76/57/90/1127765790.db2.gz JZXGPRYGEZDATA-UHFFFAOYSA-N -1 1 340.242 3.763 20 10 EHCDMM Cc1nc2c(cccc2NC(=O)NCc2cccc(Cl)c2[O-])o1 ZINC001671375531 1120231447 /nfs/dbraw/zinc/23/14/47/1120231447.db2.gz PWLIAQONWKPLPY-UHFFFAOYSA-N -1 1 331.759 3.817 20 10 EHCDMM Cc1noc(C)c1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001176179406 1132857362 /nfs/dbraw/zinc/85/73/62/1132857362.db2.gz YFWJPDOJMQKSSC-UHFFFAOYSA-N -1 1 334.331 3.516 20 10 EHCDMM CCN(CC)c1ccc(CN(C)C(=O)c2ccc([O-])c(F)c2)cc1 ZINC000767291477 1132978164 /nfs/dbraw/zinc/97/81/64/1132978164.db2.gz QCACYQDNXMPVBW-UHFFFAOYSA-N -1 1 330.403 3.650 20 10 EHCDMM Cc1nc2ccc(C(=O)NCc3cccc(Cl)c3[O-])cc2nc1C ZINC001180410146 1133371288 /nfs/dbraw/zinc/37/12/88/1133371288.db2.gz KNZBTBFJLMSFMW-UHFFFAOYSA-N -1 1 341.798 3.536 20 10 EHCDMM NC(=O)N1CCCc2ccc(NCc3cc(Cl)cc(F)c3[O-])cc21 ZINC000787312889 1133993940 /nfs/dbraw/zinc/99/39/40/1133993940.db2.gz BDGMEMDBQXGOCU-UHFFFAOYSA-N -1 1 349.793 3.628 20 10 EHCDMM COC(=O)c1ccc([O-])c([C@@H](C)NCC(F)(F)c2ccccc2)c1 ZINC000788980880 1134206392 /nfs/dbraw/zinc/20/63/92/1134206392.db2.gz OOSQRZFZUPJDTI-GFCCVEGCSA-N -1 1 335.350 3.621 20 10 EHCDMM O=C(Nc1ccc2c[nH]nc2c1Cl)c1ccc(O)c([O-])c1Cl ZINC001193230216 1135120018 /nfs/dbraw/zinc/12/00/18/1135120018.db2.gz RFZISUQZSQHFRR-UHFFFAOYSA-N -1 1 338.150 3.533 20 10 EHCDMM CC(C)c1cccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001195153292 1135381923 /nfs/dbraw/zinc/38/19/23/1135381923.db2.gz JSVAKNXKSCMYKL-UHFFFAOYSA-N -1 1 327.352 3.595 20 10 EHCDMM CC[C@H](Nc1ccc2c(c1)C(=O)NCC2)c1cccc(Cl)c1[O-] ZINC000806156962 1135403495 /nfs/dbraw/zinc/40/34/95/1135403495.db2.gz NQXIFQHSJDKYDK-INIZCTEOSA-N -1 1 330.815 3.895 20 10 EHCDMM CC(=O)c1cc(Cl)cc(CN2CCOC(C3CC3)(C3CC3)C2)c1[O-] ZINC001196440854 1135557545 /nfs/dbraw/zinc/55/75/45/1135557545.db2.gz IVEHDIODACAHPC-UHFFFAOYSA-N -1 1 349.858 3.639 20 10 EHCDMM O=C(NCc1ccc(N2CCCCC2)cc1)c1c(F)ccc([O-])c1F ZINC000809634895 1135863579 /nfs/dbraw/zinc/86/35/79/1135863579.db2.gz BMCGUWMGCTUPOE-UHFFFAOYSA-N -1 1 346.377 3.591 20 10 EHCDMM COCc1cnc(CNCc2cc(Cl)cc(Cl)c2[O-])s1 ZINC000809775498 1135881933 /nfs/dbraw/zinc/88/19/33/1135881933.db2.gz CBUZMIKRMSUMHB-UHFFFAOYSA-N -1 1 333.240 3.592 20 10 EHCDMM C[C@H]1CN(Cc2c([O-])ccc(Cl)c2F)c2ccccc2N(C)C1=O ZINC000809786114 1135891655 /nfs/dbraw/zinc/89/16/55/1135891655.db2.gz PPKIQGKHMDWFQN-NSHDSACASA-N -1 1 348.805 3.804 20 10 EHCDMM C[C@H](N[C@H]1C[C@H](C)n2ncnc21)c1ccc(Cl)c(Cl)c1[O-] ZINC000850499131 1136271906 /nfs/dbraw/zinc/27/19/06/1136271906.db2.gz JVHLQVIYFFXHGN-LAEOZQHASA-N -1 1 327.215 3.647 20 10 EHCDMM CCC[C@@H](C)C[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864510370 1137231076 /nfs/dbraw/zinc/23/10/76/1137231076.db2.gz VNSRSEAJGRPMHT-MFKMUULPSA-N -1 1 344.249 3.524 20 10 EHCDMM CC[C@H](NCc1ncnn1CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000794842034 1137288827 /nfs/dbraw/zinc/28/88/27/1137288827.db2.gz PARNOUALRYGMOD-NSHDSACASA-N -1 1 329.231 3.551 20 10 EHCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1C[C@H]1C1CCCC1 ZINC000846015379 1137326136 /nfs/dbraw/zinc/32/61/36/1137326136.db2.gz MOXMDJGOHCRVMF-STQMWFEESA-N -1 1 338.245 3.597 20 10 EHCDMM C[C@@H]1CN(C(=O)c2c([O-])c(O)ccc2F)CCc2ccc(Cl)cc21 ZINC000846659605 1137360904 /nfs/dbraw/zinc/36/09/04/1137360904.db2.gz UGELPMAIEKUNDE-SNVBAGLBSA-N -1 1 349.789 3.692 20 10 EHCDMM CCN(CC)c1ccc(CN[C@H](C(=O)[O-])c2ccc(F)cc2F)cc1 ZINC000846778030 1137365058 /nfs/dbraw/zinc/36/50/58/1137365058.db2.gz FCHGPRGZNXTOAN-SFHVURJKSA-N -1 1 348.393 3.727 20 10 EHCDMM CCCC[C@H](C(=O)[O-])[N@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000829277554 600857132 /nfs/dbraw/zinc/85/71/32/600857132.db2.gz XGBFRMCBHDDRJL-CYBMUJFWSA-N -1 1 344.249 3.620 20 10 EHCDMM CCCC[C@H](C(=O)[O-])[N@@H+](CC)Cc1cc(Br)ccc1[O-] ZINC000829277554 600857133 /nfs/dbraw/zinc/85/71/33/600857133.db2.gz XGBFRMCBHDDRJL-CYBMUJFWSA-N -1 1 344.249 3.620 20 10 EHCDMM Cn1cc(C(=O)NCc2cccc(Cl)c2[O-])c(C2CCCCC2)n1 ZINC000890757740 1016368663 /nfs/dbraw/zinc/36/86/63/1016368663.db2.gz JXQIYPIDNASEAD-UHFFFAOYSA-N -1 1 347.846 3.757 20 10 EHCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cc(-c2ccccc2)cs1 ZINC000728697255 1017691711 /nfs/dbraw/zinc/69/17/11/1017691711.db2.gz LOEUCENSFCUKSW-LDADJPATSA-N -1 1 346.411 3.877 20 10 EHCDMM CN(Cc1ccns1)Cc1cc(Cl)cc(Br)c1[O-] ZINC000895450757 1024516479 /nfs/dbraw/zinc/51/64/79/1024516479.db2.gz CARYSJXEASWXKN-UHFFFAOYSA-N -1 1 347.665 3.897 20 10 EHCDMM CCCO[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708075052 1026699126 /nfs/dbraw/zinc/69/91/26/1026699126.db2.gz IENMXVNLWZUVKP-LBPRGKRZSA-N -1 1 348.668 3.809 20 10 EHCDMM CCc1nnc([C@@H](C)N[C@@H](C)c2ccc(Cl)c(Cl)c2[O-])[nH]1 ZINC000273479090 1027449945 /nfs/dbraw/zinc/44/99/45/1027449945.db2.gz LPXVRSBDUPTTEQ-JGVFFNPUSA-N -1 1 329.231 3.791 20 10 EHCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2c2ccc(C)o2)c1[O-] ZINC000177192781 1034814145 /nfs/dbraw/zinc/81/41/45/1034814145.db2.gz ZPJDTUQLAFJAHU-INIZCTEOSA-N -1 1 349.814 3.723 20 10 EHCDMM Cn1c2ccccc2nc1NCc1cccc(Br)c1[O-] ZINC000764934036 1127555455 /nfs/dbraw/zinc/55/54/55/1127555455.db2.gz HSKXFDCVHRFFQZ-UHFFFAOYSA-N -1 1 332.201 3.654 20 10 EHCDMM CCCC[C@@H](CC)C(=O)NCc1cccc(Br)c1[O-] ZINC000765726049 1127744186 /nfs/dbraw/zinc/74/41/86/1127744186.db2.gz DVPXXHJMXQZYQI-LLVKDONJSA-N -1 1 328.250 3.987 20 10 EHCDMM CC1(C)CC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765767802 1128108644 /nfs/dbraw/zinc/10/86/44/1128108644.db2.gz FBCPLUWAQNUMKA-SNVBAGLBSA-N -1 1 326.234 3.597 20 10 EHCDMM O=C1[N-]C(=S)SC1=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000033399383 1122685921 /nfs/dbraw/zinc/68/59/21/1122685921.db2.gz SABULMXRLVWFRN-UKTHLTGXSA-N -1 1 349.437 3.914 20 10 EHCDMM CN(C(=O)C1CC1)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000922568201 1129572962 /nfs/dbraw/zinc/57/29/62/1129572962.db2.gz YALPCNQSMRSFHG-UHFFFAOYSA-N -1 1 332.350 3.655 20 10 EHCDMM CCc1cccc(CC)c1S(=O)(=O)[N-]c1ccc(O)cc1C(C)=O ZINC000766047904 1129951904 /nfs/dbraw/zinc/95/19/04/1129951904.db2.gz NBGIBAJTMPXKHL-UHFFFAOYSA-N -1 1 347.436 3.520 20 10 EHCDMM O=C(CSc1nnc(-c2ccccc2)s1)c1ccc([O-])c(O)c1 ZINC000729940086 1130657158 /nfs/dbraw/zinc/65/71/58/1130657158.db2.gz KPBZVVNJSFQSDS-UHFFFAOYSA-N -1 1 344.417 3.591 20 10 EHCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000769379889 1133272864 /nfs/dbraw/zinc/27/28/64/1133272864.db2.gz BPFAMPGZEQBYHC-CMPLNLGQSA-N -1 1 344.160 3.587 20 10 EHCDMM CC(=O)N1CCc2c1cccc2N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000769419854 1133281768 /nfs/dbraw/zinc/28/17/68/1133281768.db2.gz WCKGPFBSIYJZLE-SNVBAGLBSA-N -1 1 332.350 3.753 20 10 EHCDMM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1cccc(Cl)c1[O-] ZINC001180410215 1133371393 /nfs/dbraw/zinc/37/13/93/1133371393.db2.gz MMFFDFDMEANJHE-LBPRGKRZSA-N -1 1 345.826 3.618 20 10 EHCDMM [O-]c1cc(F)c(F)cc1CNCC(F)(F)c1ccc(F)cc1F ZINC001183683977 1133841166 /nfs/dbraw/zinc/84/11/66/1133841166.db2.gz FOHNAGGOHQPGIK-UHFFFAOYSA-N -1 1 335.247 3.830 20 10 EHCDMM Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc([O-])cc2F)cc1 ZINC001186328538 1134195956 /nfs/dbraw/zinc/19/59/56/1134195956.db2.gz GOLPCDWBWLAVGM-UHFFFAOYSA-N -1 1 336.366 3.961 20 10 EHCDMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)c1cccc(C(F)(F)F)c1 ZINC000789944699 1134350173 /nfs/dbraw/zinc/35/01/73/1134350173.db2.gz XEJQXNFSBVDUDU-MRVPVSSYSA-N -1 1 343.276 3.747 20 10 EHCDMM COc1cc(NCc2cc(Cl)cc(F)c2[O-])cc(-n2cccn2)c1 ZINC000793268173 1134892725 /nfs/dbraw/zinc/89/27/25/1134892725.db2.gz FJTLZDUNCVVFJG-UHFFFAOYSA-N -1 1 347.777 3.991 20 10 EHCDMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1 ZINC000747860291 1136346658 /nfs/dbraw/zinc/34/66/58/1136346658.db2.gz SBOLCAYABBPDRI-UHFFFAOYSA-N -1 1 334.416 3.535 20 10 EHCDMM CC1=C(C)C[C@H](C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000843865997 1137185250 /nfs/dbraw/zinc/18/52/50/1137185250.db2.gz BQYWMMPCBRXIIF-GFCCVEGCSA-N -1 1 338.245 3.907 20 10 EHCDMM CCC[C@H](C)C[C@@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864510369 1137231153 /nfs/dbraw/zinc/23/11/53/1137231153.db2.gz VNSRSEAJGRPMHT-GXFFZTMASA-N -1 1 344.249 3.524 20 10 EHCDMM CCn1ncc(N[C@@H](C)c2cc(Br)cc(F)c2[O-])c1C ZINC000872137129 1137573710 /nfs/dbraw/zinc/57/37/10/1137573710.db2.gz JQVSYXSDKNWQOQ-QMMMGPOBSA-N -1 1 342.212 3.992 20 10 EHCDMM [O-]c1c(F)cc(F)cc1CNc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000883035087 1137842257 /nfs/dbraw/zinc/84/22/57/1137842257.db2.gz QPKQFVKITAJWJC-QZTJIDSGSA-N -1 1 349.377 3.965 20 10 EHCDMM O=C([O-])[C@H]1CCC[N@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000739583533 600715135 /nfs/dbraw/zinc/71/51/35/600715135.db2.gz RLRXOPCGILPAGX-LBPRGKRZSA-N -1 1 325.364 3.588 20 10 EHCDMM O=C([O-])[C@H]1CCC[N@@H+](Cc2cc3oc4ccccc4c3cc2[O-])C1 ZINC000739583533 600715138 /nfs/dbraw/zinc/71/51/38/600715138.db2.gz RLRXOPCGILPAGX-LBPRGKRZSA-N -1 1 325.364 3.588 20 10 EHCDMM CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000391990458 604863003 /nfs/dbraw/zinc/86/30/03/604863003.db2.gz IVWHECVUHDIUJN-HNNXBMFYSA-N -1 1 327.424 3.868 20 10 EHCDMM CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000391990458 604863005 /nfs/dbraw/zinc/86/30/05/604863005.db2.gz IVWHECVUHDIUJN-HNNXBMFYSA-N -1 1 327.424 3.868 20 10 EHCDMM CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000833419528 605549000 /nfs/dbraw/zinc/54/90/00/605549000.db2.gz FWVZRZJHEGLQCS-NSHDSACASA-N -1 1 329.799 3.508 20 10 EHCDMM O=C([O-])[C@H]1C[N@H+](Cc2ccc3ccccc3c2[O-])Cc2ccccc21 ZINC001594951271 954950260 /nfs/dbraw/zinc/95/02/60/954950260.db2.gz FITAWERFWPGOSW-IBGZPJMESA-N -1 1 333.387 3.729 20 10 EHCDMM O=C([O-])[C@H]1C[N@@H+](Cc2ccc3ccccc3c2[O-])Cc2ccccc21 ZINC001594951271 954950270 /nfs/dbraw/zinc/95/02/70/954950270.db2.gz FITAWERFWPGOSW-IBGZPJMESA-N -1 1 333.387 3.729 20 10 EHCDMM CC(C)C[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000728196913 1014942409 /nfs/dbraw/zinc/94/24/09/1014942409.db2.gz YCSDSWVTQAUYPS-UHFFFAOYSA-N -1 1 339.435 3.949 20 10 EHCDMM CC(C)C[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])C1CC1 ZINC000728196913 1014942420 /nfs/dbraw/zinc/94/24/20/1014942420.db2.gz YCSDSWVTQAUYPS-UHFFFAOYSA-N -1 1 339.435 3.949 20 10 EHCDMM CCOc1ccc(CCC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890758323 1016373636 /nfs/dbraw/zinc/37/36/36/1016373636.db2.gz VOKPNBQXXHLBKV-UHFFFAOYSA-N -1 1 333.815 3.693 20 10 EHCDMM COc1ccc(C(C)(C)C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890760142 1016379493 /nfs/dbraw/zinc/37/94/93/1016379493.db2.gz JNXXSWUPMZUWCW-UHFFFAOYSA-N -1 1 333.815 3.648 20 10 EHCDMM Cn1ncc2c1CC(C)(C)CN(Cc1cc(Cl)cc(F)c1[O-])C2 ZINC000828019264 1023344854 /nfs/dbraw/zinc/34/48/54/1023344854.db2.gz SKPDXJOPOLFDIC-UHFFFAOYSA-N -1 1 337.826 3.503 20 10 EHCDMM CC(C)COC[C@H](N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccco1 ZINC000273605133 1027516389 /nfs/dbraw/zinc/51/63/89/1027516389.db2.gz TVSQDWADXDHPHM-BBRMVZONSA-N -1 1 348.399 3.958 20 10 EHCDMM Cn1cnc(-c2ccc(NCc3c([O-])ccc(Cl)c3F)cc2)n1 ZINC000191607676 1036398490 /nfs/dbraw/zinc/39/84/90/1036398490.db2.gz VEWJOIAEJDGJOU-UHFFFAOYSA-N -1 1 332.766 3.592 20 10 EHCDMM Cc1ncc(CN(C)Cc2cc(Br)cc(F)c2[O-])s1 ZINC000893967292 1039894427 /nfs/dbraw/zinc/89/44/27/1039894427.db2.gz ZSAKEYKDKGAEIH-UHFFFAOYSA-N -1 1 345.237 3.691 20 10 EHCDMM [O-]c1c(Br)cccc1CNc1ncnc2ccsc21 ZINC000764935597 1127555058 /nfs/dbraw/zinc/55/50/58/1127555058.db2.gz ZCXGABVLZDLILV-UHFFFAOYSA-N -1 1 336.214 3.772 20 10 EHCDMM Cc1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765210497 1127585074 /nfs/dbraw/zinc/58/50/74/1127585074.db2.gz KSVSRSPUDQILSB-UHFFFAOYSA-N -1 1 335.201 3.785 20 10 EHCDMM C[C@@H](Cc1ccccc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765727462 1127746290 /nfs/dbraw/zinc/74/62/90/1127746290.db2.gz AGMJKVRSOIEZSS-LBPRGKRZSA-N -1 1 348.240 3.650 20 10 EHCDMM Cc1cc(C)cc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765731753 1127748111 /nfs/dbraw/zinc/74/81/11/1127748111.db2.gz MMPZQVMFAFWTHV-UHFFFAOYSA-N -1 1 334.213 3.702 20 10 EHCDMM CC1(C)CCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000765753016 1127765719 /nfs/dbraw/zinc/76/57/19/1127765719.db2.gz LXNZYNXUCHHREQ-NSHDSACASA-N -1 1 326.234 3.597 20 10 EHCDMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])C1CCCC1 ZINC000765766823 1128080417 /nfs/dbraw/zinc/08/04/17/1128080417.db2.gz CDXOMNUZYYDNBR-JTQLQIEISA-N -1 1 326.234 3.597 20 10 EHCDMM O=C(NCc1c(Cl)oc2ccccc21)c1c(F)ccc(O)c1[O-] ZINC001183996122 1133887960 /nfs/dbraw/zinc/88/79/60/1133887960.db2.gz BOULCXLIVYHNSV-UHFFFAOYSA-N -1 1 335.718 3.567 20 10 EHCDMM O=C(CNc1cc(-c2ccccc2)cnc1F)c1ccc([O-])c(O)c1 ZINC001170314828 1134745814 /nfs/dbraw/zinc/74/58/14/1134745814.db2.gz JADSVGSJYPVUOW-UHFFFAOYSA-N -1 1 338.338 3.594 20 10 EHCDMM O=C(Nc1ccccc1-c1cnco1)c1ccc(O)c([O-])c1Cl ZINC001193229014 1135119751 /nfs/dbraw/zinc/11/97/51/1135119751.db2.gz CFPQDHJNAXYJIU-UHFFFAOYSA-N -1 1 330.727 3.659 20 10 EHCDMM COc1ccc(CN(C)Cc2cc(Cl)cc(F)c2[O-])c(OC)c1 ZINC000775642815 1135382445 /nfs/dbraw/zinc/38/24/45/1135382445.db2.gz OQOKJPMKQLIFRU-UHFFFAOYSA-N -1 1 339.794 3.834 20 10 EHCDMM O=C(NCc1cc(Cl)ccc1O)c1cc2ccccc2cc1[O-] ZINC000857547447 1136882431 /nfs/dbraw/zinc/88/24/31/1136882431.db2.gz DZNCFDHEDCOGDN-UHFFFAOYSA-N -1 1 327.767 3.834 20 10 EHCDMM Cc1cnc(C(C)(C)[NH2+]Cc2c(O)cccc2Br)s1 ZINC000858148731 1136943996 /nfs/dbraw/zinc/94/39/96/1136943996.db2.gz JFFPBMFWNVOMGW-UHFFFAOYSA-N -1 1 341.274 3.945 20 10 EHCDMM CC(C)(C)CC[C@@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864509926 1137230852 /nfs/dbraw/zinc/23/08/52/1137230852.db2.gz PPMBQICTBYFSQS-GFCCVEGCSA-N -1 1 344.249 3.524 20 10 EHCDMM CC(C)COC[C@@H](NCc1ccc(F)c(F)c1[O-])c1ccco1 ZINC000876994894 1137667249 /nfs/dbraw/zinc/66/72/49/1137667249.db2.gz RWQRLWZALYMSSB-CQSZACIVSA-N -1 1 325.355 3.767 20 10 EHCDMM C[C@@H]1CN(c2ccccc2NCc2cc(F)cc(F)c2[O-])C[C@H](C)O1 ZINC000882905970 1137837425 /nfs/dbraw/zinc/83/74/25/1137837425.db2.gz BZRGGIHGGUUPRX-BETUJISGSA-N -1 1 348.393 3.896 20 10 EHCDMM CSc1cc2c(cc1NCc1cc(F)cc(F)c1[O-])OCCO2 ZINC000883060611 1137843216 /nfs/dbraw/zinc/84/32/16/1137843216.db2.gz RDQMIOUOBBRNMR-UHFFFAOYSA-N -1 1 339.363 3.776 20 10 EHCDMM CCN(CC)C(=O)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883116024 1137845116 /nfs/dbraw/zinc/84/51/16/1137845116.db2.gz MRKQFJIFSNPPST-UHFFFAOYSA-N -1 1 334.366 3.765 20 10 EHCDMM CC(C)c1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c([O-])c1 ZINC000332247215 1137937115 /nfs/dbraw/zinc/93/71/15/1137937115.db2.gz WXVPYDGAQGWSCB-UHFFFAOYSA-N -1 1 340.423 3.621 20 10 EHCDMM CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)c1O ZINC000825946917 601411942 /nfs/dbraw/zinc/41/19/42/601411942.db2.gz WUYNXYQBQBOXJR-UHFFFAOYSA-N -1 1 347.798 3.578 20 10 EHCDMM CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)c1[O-] ZINC000825946917 601411945 /nfs/dbraw/zinc/41/19/45/601411945.db2.gz WUYNXYQBQBOXJR-UHFFFAOYSA-N -1 1 347.798 3.578 20 10 EHCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(-c2ccccc2)cs1 ZINC000728697256 1017691241 /nfs/dbraw/zinc/69/12/41/1017691241.db2.gz LOEUCENSFCUKSW-PDGQHHTCSA-N -1 1 346.411 3.877 20 10 EHCDMM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1ccc(Cl)cc1 ZINC000041371762 1018246033 /nfs/dbraw/zinc/24/60/33/1018246033.db2.gz ZSTHJKBIDGFGFH-UHFFFAOYSA-N -1 1 336.844 3.741 20 10 EHCDMM COc1ccc(OC)c(NCc2cccc(Br)c2[O-])c1 ZINC000048794733 1022832822 /nfs/dbraw/zinc/83/28/22/1022832822.db2.gz KOBFPXCVKLGXPN-UHFFFAOYSA-N -1 1 338.201 3.784 20 10 EHCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1ccc2c(c1)CCO2 ZINC000896842969 1024016762 /nfs/dbraw/zinc/01/67/62/1024016762.db2.gz YJXLACKTBFPVHG-LLVKDONJSA-N -1 1 346.814 3.541 20 10 EHCDMM CC(=O)Nc1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000048794826 1026267900 /nfs/dbraw/zinc/26/79/00/1026267900.db2.gz KIXYORQKHXIREJ-UHFFFAOYSA-N -1 1 335.201 3.725 20 10 EHCDMM [O-]c1c(Br)cccc1CNc1nnc(C2CCCC2)o1 ZINC000905428890 1038892993 /nfs/dbraw/zinc/89/29/93/1038892993.db2.gz ZUCNJHMUXANWCZ-UHFFFAOYSA-N -1 1 338.205 3.807 20 10 EHCDMM [O-]c1c(Br)cccc1CNc1nccc(C(F)(F)F)n1 ZINC000764934847 1127555949 /nfs/dbraw/zinc/55/59/49/1127555949.db2.gz OAXKNQKRFPBBHV-UHFFFAOYSA-N -1 1 348.122 3.576 20 10 EHCDMM Cc1cc(C(=O)NCc2cccc(Br)c2[O-])sc1C ZINC000765726064 1127744343 /nfs/dbraw/zinc/74/43/43/1127744343.db2.gz FPIQCBWHJKAENQ-UHFFFAOYSA-N -1 1 340.242 3.763 20 10 EHCDMM Cc1cccc(C)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765735603 1127759183 /nfs/dbraw/zinc/75/91/83/1127759183.db2.gz HRNASTHZWSDUAN-UHFFFAOYSA-N -1 1 334.213 3.702 20 10 EHCDMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])c1cccs1 ZINC000765746061 1127764053 /nfs/dbraw/zinc/76/40/53/1127764053.db2.gz CNUMQPGVGJUBPW-VIFPVBQESA-N -1 1 340.242 3.636 20 10 EHCDMM C[C@@H]1CCC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000765769479 1128154101 /nfs/dbraw/zinc/15/41/01/1128154101.db2.gz MIULQFGLDHKLOE-MNOVXSKESA-N -1 1 326.234 3.597 20 10 EHCDMM CCc1ccccc1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765770264 1128158734 /nfs/dbraw/zinc/15/87/34/1128158734.db2.gz NQORDVUEDDCUPL-UHFFFAOYSA-N -1 1 348.240 3.576 20 10 EHCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccccc1C(C)(C)C ZINC000766048629 1129948554 /nfs/dbraw/zinc/94/85/54/1129948554.db2.gz UUUFMPIWPZEDDJ-UHFFFAOYSA-N -1 1 347.436 3.693 20 10 EHCDMM Nc1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)c(F)c1 ZINC001174482048 1132383057 /nfs/dbraw/zinc/38/30/57/1132383057.db2.gz OAZLPPSRJFGKRV-UHFFFAOYSA-N -1 1 348.333 3.633 20 10 EHCDMM Cc1c(NCc2c([O-])ccc(Cl)c2F)cccc1N1CCNC1=O ZINC000785553057 1133720462 /nfs/dbraw/zinc/72/04/62/1133720462.db2.gz DBFBJSMKSUBGEE-UHFFFAOYSA-N -1 1 349.793 3.635 20 10 EHCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1csc2ccccc21 ZINC001186497928 1134222802 /nfs/dbraw/zinc/22/28/02/1134222802.db2.gz KRBRAICYMDZISL-UHFFFAOYSA-N -1 1 341.360 3.686 20 10 EHCDMM CCN(Cc1ccc(Cl)s1)C(=O)c1c([O-])c(O)ccc1F ZINC000789946188 1134350623 /nfs/dbraw/zinc/35/06/23/1134350623.db2.gz GFKXLAOZLVCTGJ-UHFFFAOYSA-N -1 1 329.780 3.614 20 10 EHCDMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)c1cccc2ccccc21 ZINC000789944626 1134350726 /nfs/dbraw/zinc/35/07/26/1134350726.db2.gz UAXIDOUKBIWJQO-LLVKDONJSA-N -1 1 325.339 3.881 20 10 EHCDMM O=C1CCCN1Cc1cccc(NCc2c([O-])ccc(Cl)c2F)c1 ZINC000790953407 1134484618 /nfs/dbraw/zinc/48/46/18/1134484618.db2.gz XQGUEDAXSVKUFO-UHFFFAOYSA-N -1 1 348.805 3.919 20 10 EHCDMM Cc1cc(C)cc(C(=O)c2ccccc2[N-]S(=O)(=O)CC2CC2)c1 ZINC001188976253 1134521899 /nfs/dbraw/zinc/52/18/99/1134521899.db2.gz CXROTOPUMVVOHO-UHFFFAOYSA-N -1 1 343.448 3.686 20 10 EHCDMM CCCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1 ZINC000792702617 1134782408 /nfs/dbraw/zinc/78/24/08/1134782408.db2.gz BGJIPQUEBYPBSV-UHFFFAOYSA-N -1 1 337.466 3.867 20 10 EHCDMM CN(C(=O)c1ccc(O)c([O-])c1Cl)[C@@H](C1CCC1)C(F)(F)F ZINC001193233294 1135117120 /nfs/dbraw/zinc/11/71/20/1135117120.db2.gz XJBSIHOSFQVRIN-LBPRGKRZSA-N -1 1 337.725 3.554 20 10 EHCDMM O=C(Nc1ccc(C(=O)C2CC2)cc1)c1ccc(O)c([O-])c1Cl ZINC001193230246 1135120215 /nfs/dbraw/zinc/12/02/15/1135120215.db2.gz RZYLZHISEJAQAV-UHFFFAOYSA-N -1 1 331.755 3.596 20 10 EHCDMM Cc1ccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)c2ccccc12 ZINC001193858351 1135197007 /nfs/dbraw/zinc/19/70/07/1135197007.db2.gz YDDMIFRFGQDRDG-UHFFFAOYSA-N -1 1 349.358 3.933 20 10 EHCDMM Cc1cccc(Cl)c1S(=O)(=O)[N-]c1c(C)cc(O)cc1C ZINC001195316814 1135413430 /nfs/dbraw/zinc/41/34/30/1135413430.db2.gz JZGHZKDMGHKVRU-UHFFFAOYSA-N -1 1 325.817 3.772 20 10 EHCDMM CCCCc1nnc(NC(=O)NCc2cccc(Cl)c2[O-])s1 ZINC001197103771 1135650116 /nfs/dbraw/zinc/65/01/16/1135650116.db2.gz LVLHGTWFBNIOLJ-UHFFFAOYSA-N -1 1 340.836 3.561 20 10 EHCDMM CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCO2)c1[O-] ZINC001198685313 1135847185 /nfs/dbraw/zinc/84/71/85/1135847185.db2.gz IVEITPHYZNVYJI-IRXDYDNUSA-N -1 1 337.847 3.782 20 10 EHCDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(N2CCCC2)c1 ZINC000111995533 1136595399 /nfs/dbraw/zinc/59/53/99/1136595399.db2.gz NOMAFNZDCJIEOW-UHFFFAOYSA-N -1 1 334.416 3.535 20 10 EHCDMM COCCOCc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000862531464 1137148351 /nfs/dbraw/zinc/14/83/51/1137148351.db2.gz HHSPPPHKGLMNCQ-UHFFFAOYSA-N -1 1 339.794 3.960 20 10 EHCDMM COc1ccccc1-c1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000125218553 1137626758 /nfs/dbraw/zinc/62/67/58/1137626758.db2.gz OOJGANOFPDKHQU-XNTDXEJSSA-N -1 1 327.430 3.851 20 10 EHCDMM O=C1N[C@@H](c2cc(Cl)c(F)cc2[O-])Nc2ccc(Cl)cc21 ZINC000877850092 1137693299 /nfs/dbraw/zinc/69/32/99/1137693299.db2.gz HSRGGVWJVLXUSG-ZDUSSCGKSA-N -1 1 327.142 3.692 20 10 EHCDMM CC1(C)COc2cc(NCc3cc(F)cc(F)c3[O-])ccc2NC1=O ZINC000883197192 1137848115 /nfs/dbraw/zinc/84/81/15/1137848115.db2.gz FPRFULKDMNXOIZ-UHFFFAOYSA-N -1 1 348.349 3.640 20 10 EHCDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC000088547767 1138194665 /nfs/dbraw/zinc/19/46/65/1138194665.db2.gz GZPKTUFFTFHMEJ-UHFFFAOYSA-N -1 1 340.832 3.673 20 10 EHCDMM C[C@@H]([NH2+]Cc1ccc2ccccc2c1[O-])[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593305319 994762050 /nfs/dbraw/zinc/76/20/50/994762050.db2.gz YCJYZVRPNOUXRJ-FOIQADDNSA-N -1 1 349.430 3.967 20 10 EHCDMM Cc1nn(C(C)(C)C)c(C)c1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757486 1016366541 /nfs/dbraw/zinc/36/65/41/1016366541.db2.gz FHTJWYICWXRAIA-UHFFFAOYSA-N -1 1 335.835 3.544 20 10 EHCDMM CC(C)(C)c1nc(CC(=O)NCc2cccc(Cl)c2[O-])cs1 ZINC000890758236 1016373381 /nfs/dbraw/zinc/37/33/81/1016373381.db2.gz STDPVNVBQAGCJM-UHFFFAOYSA-N -1 1 338.860 3.659 20 10 EHCDMM COc1cccc([C@@H](C)CC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000890759609 1016381933 /nfs/dbraw/zinc/38/19/33/1016381933.db2.gz DRYYLEGJZZITIT-LBPRGKRZSA-N -1 1 333.815 3.864 20 10 EHCDMM C[C@H](CCCc1cccnc1)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000895296121 1024244143 /nfs/dbraw/zinc/24/41/43/1024244143.db2.gz YECJSYYKQAONLK-CYBMUJFWSA-N -1 1 347.846 3.651 20 10 EHCDMM COc1ccc(NCc2cccc(Br)c2[O-])cc1OC ZINC000048794711 1026268288 /nfs/dbraw/zinc/26/82/88/1026268288.db2.gz KWRDUDFDQOOXLB-UHFFFAOYSA-N -1 1 338.201 3.784 20 10 EHCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCCc2sccc21 ZINC000894255768 1028153596 /nfs/dbraw/zinc/15/35/96/1028153596.db2.gz UJIZALGEZVNFCY-ZDUSSCGKSA-N -1 1 336.844 3.984 20 10 EHCDMM CCNC(=O)N1CCc2ccc(NCc3cccc(Cl)c3[O-])cc21 ZINC000272000798 1029266529 /nfs/dbraw/zinc/26/65/29/1029266529.db2.gz VNUVBSIWZSIERW-UHFFFAOYSA-N -1 1 345.830 3.750 20 10 EHCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2ccccc2[N+](=O)[O-])c1[O-] ZINC000177021847 1034007297 /nfs/dbraw/zinc/00/72/97/1034007297.db2.gz RPZCVLAHFBESID-UHFFFAOYSA-N -1 1 348.786 3.788 20 10 EHCDMM C[C@@H](N[C@H](C)c1ccc(F)cc1[O-])c1noc(-c2ccccc2)n1 ZINC000185766833 1035528815 /nfs/dbraw/zinc/52/88/15/1035528815.db2.gz HXRKVJUJDXFDMZ-VXGBXAGGSA-N -1 1 327.359 3.993 20 10 EHCDMM CC(C)[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])c1cccnc1 ZINC000893502817 1042303231 /nfs/dbraw/zinc/30/32/31/1042303231.db2.gz OBNKQFCZBWRWJQ-OAHLLOKOSA-N -1 1 347.846 3.680 20 10 EHCDMM CC[C@H](C)C[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764792911 1127534293 /nfs/dbraw/zinc/53/42/93/1127534293.db2.gz ZKZRBDKMYKJFDX-WDEREUQCSA-N -1 1 343.265 3.779 20 10 EHCDMM CCc1ccc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765751940 1127766365 /nfs/dbraw/zinc/76/63/65/1127766365.db2.gz AYMXMUPRCCUSEB-UHFFFAOYSA-N -1 1 340.242 3.709 20 10 EHCDMM C[C@@H]1CCC[C@@H]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765751798 1127766686 /nfs/dbraw/zinc/76/66/86/1127766686.db2.gz SOLLCLFVUPONDO-GHMZBOCLSA-N -1 1 326.234 3.597 20 10 EHCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cccc(O)c3F)c([O-])cc21 ZINC001212551179 1130362991 /nfs/dbraw/zinc/36/29/91/1130362991.db2.gz DPCROGQGVDMREP-UHFFFAOYSA-N -1 1 349.317 3.756 20 10 EHCDMM Cc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1N1CCNC1=O ZINC000785552029 1133720755 /nfs/dbraw/zinc/72/07/55/1133720755.db2.gz DADULTLMFSXGID-UHFFFAOYSA-N -1 1 349.793 3.635 20 10 EHCDMM Cc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1N1CCNC1=O ZINC000787312647 1133993929 /nfs/dbraw/zinc/99/39/29/1133993929.db2.gz QEBLUMTWDQFFFC-UHFFFAOYSA-N -1 1 349.793 3.635 20 10 EHCDMM CC(C)Oc1cccc([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000790068784 1134363090 /nfs/dbraw/zinc/36/30/90/1134363090.db2.gz AAPKRVZPYYSKEL-LLVKDONJSA-N -1 1 333.359 3.515 20 10 EHCDMM COc1ccc(N(C)Cc2c([O-])ccc(Cl)c2F)cc1OC ZINC000792175158 1134663735 /nfs/dbraw/zinc/66/37/35/1134663735.db2.gz ONHJFVAGIURJGY-UHFFFAOYSA-N -1 1 325.767 3.838 20 10 EHCDMM O=C(CNc1cc2c(Cl)cccc2cn1)c1ccc([O-])c(O)c1 ZINC001170322152 1134747161 /nfs/dbraw/zinc/74/71/61/1134747161.db2.gz FVTFAFKAIUKQHS-UHFFFAOYSA-N -1 1 328.755 3.594 20 10 EHCDMM CCCCc1ccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001191249447 1134823309 /nfs/dbraw/zinc/82/33/09/1134823309.db2.gz VETUVLOPIVLVHB-UHFFFAOYSA-N -1 1 341.379 3.814 20 10 EHCDMM CCCCc1ccc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)cc1 ZINC001191252536 1134824854 /nfs/dbraw/zinc/82/48/54/1134824854.db2.gz CYOIQYUEQCIMSG-UHFFFAOYSA-N -1 1 341.379 3.814 20 10 EHCDMM O=C(Nc1ccc(-n2cccc2)cc1)c1ccc(O)c([O-])c1Cl ZINC001193209738 1135114703 /nfs/dbraw/zinc/11/47/03/1135114703.db2.gz ODPUHIBSFRDEFL-UHFFFAOYSA-N -1 1 328.755 3.794 20 10 EHCDMM CC(C)c1nc(CN(C)C(=O)c2ccc(O)c([O-])c2Cl)cs1 ZINC001193233246 1135116535 /nfs/dbraw/zinc/11/65/35/1135116535.db2.gz WVXIMEPRRJQCKL-UHFFFAOYSA-N -1 1 340.832 3.603 20 10 EHCDMM O=C(NCCc1ccc2ccccc2c1)c1ccc(O)c([O-])c1Cl ZINC001193236960 1135117158 /nfs/dbraw/zinc/11/71/58/1135117158.db2.gz UVHMQTYARACFKA-UHFFFAOYSA-N -1 1 341.794 3.877 20 10 EHCDMM Cc1cc(C)cc(OC[C@H](C)NC(=O)c2ccc(O)c([O-])c2Cl)c1 ZINC001193236619 1135117426 /nfs/dbraw/zinc/11/74/26/1135117426.db2.gz JRHZPDICRJWTGK-LBPRGKRZSA-N -1 1 349.814 3.565 20 10 EHCDMM Cc1cnn(-c2ccc(NCc3cc(F)cc(F)c3[O-])cc2F)c1 ZINC001201114300 1135984844 /nfs/dbraw/zinc/98/48/44/1135984844.db2.gz CCECXHKNQXLMJV-UHFFFAOYSA-N -1 1 333.313 3.916 20 10 EHCDMM COc1cc(OC)c(NCc2cc(Cl)c(F)cc2[O-])cc1F ZINC000816527489 1136734116 /nfs/dbraw/zinc/73/41/16/1136734116.db2.gz MMIRRWQYJAMSJQ-UHFFFAOYSA-N -1 1 329.730 3.953 20 10 EHCDMM Cc1cc(C(=O)NC(C)C)ccc1NCc1cc(F)cc(F)c1[O-] ZINC000883109609 1137844888 /nfs/dbraw/zinc/84/48/88/1137844888.db2.gz XKPIXZZCLZBIGN-UHFFFAOYSA-N -1 1 334.366 3.729 20 10 EHCDMM Cc1cc(F)ncc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001212817111 1138391903 /nfs/dbraw/zinc/39/19/03/1138391903.db2.gz ZHZCQZRZYYSSIV-UHFFFAOYSA-N -1 1 348.333 3.754 20 10 EHCDMM