smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc2[nH]c(=O)c(CN(CCC[NH+]3CCOCC3)C(=S)Nc3cccc(Cl)c3)cc2c1 ZINC000000879401 551555554 /nfs/dbraw/zinc/55/55/54/551555554.db2.gz JTOGQPFNYNVNNN-UHFFFAOYSA-N 1 1 515.079 4.502 40 0 KJABMO Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C[C@@H]1C(=O)NC(C)(C)C ZINC000000896764 551564206 /nfs/dbraw/zinc/56/42/06/551564206.db2.gz QAGYKUNXZHXKMR-MTIHEKKKSA-N 1 1 567.796 4.748 40 0 KJABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001326054 551643099 /nfs/dbraw/zinc/64/30/99/551643099.db2.gz BRZRFMPMRQAQFM-VWLOTQADSA-N 1 1 514.630 4.620 40 0 KJABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001326057 551643187 /nfs/dbraw/zinc/64/31/87/551643187.db2.gz BRZRFMPMRQAQFM-RUZDIDTESA-N 1 1 514.630 4.620 40 0 KJABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001326086 551643114 /nfs/dbraw/zinc/64/31/14/551643114.db2.gz BVMAOYKBWBWOSN-SANMLTNESA-N 1 1 544.656 4.629 40 0 KJABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001326088 551643123 /nfs/dbraw/zinc/64/31/23/551643123.db2.gz BVMAOYKBWBWOSN-AREMUKBSSA-N 1 1 544.656 4.629 40 0 KJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374324 551653509 /nfs/dbraw/zinc/65/35/09/551653509.db2.gz MMIBEOYNELAZBR-SANMLTNESA-N 1 1 542.640 4.678 40 0 KJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374324 551653508 /nfs/dbraw/zinc/65/35/08/551653508.db2.gz MMIBEOYNELAZBR-SANMLTNESA-N 1 1 542.640 4.678 40 0 KJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374325 551653500 /nfs/dbraw/zinc/65/35/00/551653500.db2.gz MMIBEOYNELAZBR-AREMUKBSSA-N 1 1 542.640 4.678 40 0 KJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000001374325 551653499 /nfs/dbraw/zinc/65/34/99/551653499.db2.gz MMIBEOYNELAZBR-AREMUKBSSA-N 1 1 542.640 4.678 40 0 KJABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374442 551653703 /nfs/dbraw/zinc/65/37/03/551653703.db2.gz NDIJQEIKSJCDFC-NDEPHWFRSA-N 1 1 508.626 4.768 40 0 KJABMO CC[C@@H](c1nnnn1Cc1ccccc1)[N@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374442 551653702 /nfs/dbraw/zinc/65/37/02/551653702.db2.gz NDIJQEIKSJCDFC-NDEPHWFRSA-N 1 1 508.626 4.768 40 0 KJABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374443 551653716 /nfs/dbraw/zinc/65/37/16/551653716.db2.gz NDIJQEIKSJCDFC-MUUNZHRXSA-N 1 1 508.626 4.768 40 0 KJABMO CC[C@H](c1nnnn1Cc1ccccc1)[N@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374443 551653713 /nfs/dbraw/zinc/65/37/13/551653713.db2.gz NDIJQEIKSJCDFC-MUUNZHRXSA-N 1 1 508.626 4.768 40 0 KJABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374532 551654023 /nfs/dbraw/zinc/65/40/23/551654023.db2.gz FKZRKSLAGHVSFY-NDEPHWFRSA-N 1 1 526.616 4.907 40 0 KJABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374532 551654022 /nfs/dbraw/zinc/65/40/22/551654022.db2.gz FKZRKSLAGHVSFY-NDEPHWFRSA-N 1 1 526.616 4.907 40 0 KJABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374533 551654066 /nfs/dbraw/zinc/65/40/66/551654066.db2.gz FKZRKSLAGHVSFY-MUUNZHRXSA-N 1 1 526.616 4.907 40 0 KJABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374533 551654065 /nfs/dbraw/zinc/65/40/65/551654065.db2.gz FKZRKSLAGHVSFY-MUUNZHRXSA-N 1 1 526.616 4.907 40 0 KJABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374606 551654438 /nfs/dbraw/zinc/65/44/38/551654438.db2.gz OVQMQSJFBLOKAD-LJAQVGFWSA-N 1 1 522.653 4.962 40 0 KJABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374606 551654436 /nfs/dbraw/zinc/65/44/36/551654436.db2.gz OVQMQSJFBLOKAD-LJAQVGFWSA-N 1 1 522.653 4.962 40 0 KJABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374607 551654474 /nfs/dbraw/zinc/65/44/74/551654474.db2.gz OVQMQSJFBLOKAD-GDLZYMKVSA-N 1 1 522.653 4.962 40 0 KJABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000001374607 551654471 /nfs/dbraw/zinc/65/44/71/551654471.db2.gz OVQMQSJFBLOKAD-GDLZYMKVSA-N 1 1 522.653 4.962 40 0 KJABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000001374693 551654675 /nfs/dbraw/zinc/65/46/75/551654675.db2.gz MPZREMCHXHYBLD-MHZLTWQESA-N 1 1 516.646 4.866 40 0 KJABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000001374694 551654663 /nfs/dbraw/zinc/65/46/63/551654663.db2.gz MPZREMCHXHYBLD-HHHXNRCGSA-N 1 1 516.646 4.866 40 0 KJABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000001374745 551654902 /nfs/dbraw/zinc/65/49/02/551654902.db2.gz AXGMWHDBPSKRQL-SANMLTNESA-N 1 1 504.610 4.997 40 0 KJABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000001374746 551654892 /nfs/dbraw/zinc/65/48/92/551654892.db2.gz AXGMWHDBPSKRQL-AREMUKBSSA-N 1 1 504.610 4.997 40 0 KJABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374748 551654985 /nfs/dbraw/zinc/65/49/85/551654985.db2.gz NTZWGKDIDBTPLT-NDEPHWFRSA-N 1 1 526.616 4.907 40 0 KJABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374748 551654983 /nfs/dbraw/zinc/65/49/83/551654983.db2.gz NTZWGKDIDBTPLT-NDEPHWFRSA-N 1 1 526.616 4.907 40 0 KJABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374749 551654937 /nfs/dbraw/zinc/65/49/37/551654937.db2.gz NTZWGKDIDBTPLT-MUUNZHRXSA-N 1 1 526.616 4.907 40 0 KJABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374749 551654934 /nfs/dbraw/zinc/65/49/34/551654934.db2.gz NTZWGKDIDBTPLT-MUUNZHRXSA-N 1 1 526.616 4.907 40 0 KJABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374790 551654999 /nfs/dbraw/zinc/65/49/99/551654999.db2.gz AHBSBZMJLLQNTH-LJAQVGFWSA-N 1 1 522.653 4.962 40 0 KJABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374790 551654997 /nfs/dbraw/zinc/65/49/97/551654997.db2.gz AHBSBZMJLLQNTH-LJAQVGFWSA-N 1 1 522.653 4.962 40 0 KJABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374791 551654990 /nfs/dbraw/zinc/65/49/90/551654990.db2.gz AHBSBZMJLLQNTH-GDLZYMKVSA-N 1 1 522.653 4.962 40 0 KJABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O ZINC000001374791 551654988 /nfs/dbraw/zinc/65/49/88/551654988.db2.gz AHBSBZMJLLQNTH-GDLZYMKVSA-N 1 1 522.653 4.962 40 0 KJABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001374848 551655290 /nfs/dbraw/zinc/65/52/90/551655290.db2.gz HQHVWGYQRWJZEA-VWLOTQADSA-N 1 1 532.620 4.759 40 0 KJABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001374849 551655441 /nfs/dbraw/zinc/65/54/41/551655441.db2.gz HQHVWGYQRWJZEA-RUZDIDTESA-N 1 1 532.620 4.759 40 0 KJABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001374896 551655647 /nfs/dbraw/zinc/65/56/47/551655647.db2.gz WMOGWHSHCQXQGJ-SANMLTNESA-N 1 1 528.657 4.815 40 0 KJABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCCC1 ZINC000001374897 551655501 /nfs/dbraw/zinc/65/55/01/551655501.db2.gz WMOGWHSHCQXQGJ-AREMUKBSSA-N 1 1 528.657 4.815 40 0 KJABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001375956 551657819 /nfs/dbraw/zinc/65/78/19/551657819.db2.gz QIHURTPFXKMUEK-AREMUKBSSA-N 1 1 540.599 4.627 40 0 KJABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001375956 551657817 /nfs/dbraw/zinc/65/78/17/551657817.db2.gz QIHURTPFXKMUEK-AREMUKBSSA-N 1 1 540.599 4.627 40 0 KJABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001375957 551657847 /nfs/dbraw/zinc/65/78/47/551657847.db2.gz QIHURTPFXKMUEK-SANMLTNESA-N 1 1 540.599 4.627 40 0 KJABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000001375957 551657845 /nfs/dbraw/zinc/65/78/45/551657845.db2.gz QIHURTPFXKMUEK-SANMLTNESA-N 1 1 540.599 4.627 40 0 KJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000001376001 551657824 /nfs/dbraw/zinc/65/78/24/551657824.db2.gz YVCYXZKJOILMOT-VWLOTQADSA-N 1 1 542.640 4.678 40 0 KJABMO CC[C@@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000001376001 551657822 /nfs/dbraw/zinc/65/78/22/551657822.db2.gz YVCYXZKJOILMOT-VWLOTQADSA-N 1 1 542.640 4.678 40 0 KJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000001376002 551657776 /nfs/dbraw/zinc/65/77/76/551657776.db2.gz YVCYXZKJOILMOT-RUZDIDTESA-N 1 1 542.640 4.678 40 0 KJABMO CC[C@H](c1nnnn1Cc1ccco1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000001376002 551657775 /nfs/dbraw/zinc/65/77/75/551657775.db2.gz YVCYXZKJOILMOT-RUZDIDTESA-N 1 1 542.640 4.678 40 0 KJABMO Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C[C@@H]1C(=O)NC(C)(C)C ZINC000001995485 551736207 /nfs/dbraw/zinc/73/62/07/551736207.db2.gz QAGYKUNXZHXKMR-XLOGNDFISA-N 1 1 567.796 4.748 40 0 KJABMO O=C(Nc1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000002386835 552108363 /nfs/dbraw/zinc/10/83/63/552108363.db2.gz ZCXXUEHMDPRKLK-OLKYXYMISA-N 1 1 514.379 4.603 40 0 KJABMO O=C(Nc1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000002386835 552108360 /nfs/dbraw/zinc/10/83/60/552108360.db2.gz ZCXXUEHMDPRKLK-OLKYXYMISA-N 1 1 514.379 4.603 40 0 KJABMO COc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000002448403 552122316 /nfs/dbraw/zinc/12/23/16/552122316.db2.gz DMXMMMPKGRBCHA-ZYQDXHPFSA-N 1 1 533.506 4.868 40 0 KJABMO COc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000002448403 552122314 /nfs/dbraw/zinc/12/23/14/552122314.db2.gz DMXMMMPKGRBCHA-ZYQDXHPFSA-N 1 1 533.506 4.868 40 0 KJABMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@H]2C[C@H](OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000003831413 552419642 /nfs/dbraw/zinc/41/96/42/552419642.db2.gz SZLZWPPUNLXJEA-NCJJNFEHSA-N 1 1 634.726 4.571 40 0 KJABMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@H]2C[C@H](OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000003831413 552419640 /nfs/dbraw/zinc/41/96/40/552419640.db2.gz SZLZWPPUNLXJEA-NCJJNFEHSA-N 1 1 634.726 4.571 40 0 KJABMO CCOC(=O)Oc1c(OC)cc(C(=O)O[C@@H]2C[C@@H]3C[N@H+]4CCc5c6ccc(OC)cc6[nH]c5[C@@H]4C[C@@H]3[C@H](C(=O)OC)[C@@H]2OC)cc1OC ZINC000003831492 552419724 /nfs/dbraw/zinc/41/97/24/552419724.db2.gz ZCDNRPPFBQDQHR-YRCBCCSTSA-N 1 1 666.724 4.698 40 0 KJABMO CCOC(=O)Oc1c(OC)cc(C(=O)O[C@@H]2C[C@@H]3C[N@@H+]4CCc5c6ccc(OC)cc6[nH]c5[C@@H]4C[C@@H]3[C@H](C(=O)OC)[C@@H]2OC)cc1OC ZINC000003831492 552419722 /nfs/dbraw/zinc/41/97/22/552419722.db2.gz ZCDNRPPFBQDQHR-YRCBCCSTSA-N 1 1 666.724 4.698 40 0 KJABMO CCOC(=O)Oc1c(OC)cc(C(=O)O[C@H]2C[C@@H]3C[N@H+]4CCc5c6ccc(OC)cc6[nH]c5[C@@H]4C[C@@H]3[C@H](C(=O)OC)[C@@H]2OC)cc1OC ZINC000003831493 552419712 /nfs/dbraw/zinc/41/97/12/552419712.db2.gz ZCDNRPPFBQDQHR-UEFNXOMKSA-N 1 1 666.724 4.698 40 0 KJABMO CCOC(=O)Oc1c(OC)cc(C(=O)O[C@H]2C[C@@H]3C[N@@H+]4CCc5c6ccc(OC)cc6[nH]c5[C@@H]4C[C@@H]3[C@H](C(=O)OC)[C@@H]2OC)cc1OC ZINC000003831493 552419710 /nfs/dbraw/zinc/41/97/10/552419710.db2.gz ZCDNRPPFBQDQHR-UEFNXOMKSA-N 1 1 666.724 4.698 40 0 KJABMO CCOC(=O)Oc1c(OC)cc(C(=O)O[C@@H]2C[C@H]3C[N@H+]4CCc5c6ccc(OC)cc6[nH]c5[C@@H]4C[C@@H]3[C@H](C(=O)OC)[C@@H]2OC)cc1OC ZINC000003831494 552419685 /nfs/dbraw/zinc/41/96/85/552419685.db2.gz ZCDNRPPFBQDQHR-DNHOZYRUSA-N 1 1 666.724 4.698 40 0 KJABMO CCOC(=O)Oc1c(OC)cc(C(=O)O[C@@H]2C[C@H]3C[N@@H+]4CCc5c6ccc(OC)cc6[nH]c5[C@@H]4C[C@@H]3[C@H](C(=O)OC)[C@@H]2OC)cc1OC ZINC000003831494 552419682 /nfs/dbraw/zinc/41/96/82/552419682.db2.gz ZCDNRPPFBQDQHR-DNHOZYRUSA-N 1 1 666.724 4.698 40 0 KJABMO CCOC(=O)Oc1c(OC)cc(C(=O)O[C@H]2C[C@H]3C[N@H+]4CCc5c6ccc(OC)cc6[nH]c5[C@@H]4C[C@@H]3[C@H](C(=O)OC)[C@@H]2OC)cc1OC ZINC000003831495 552419743 /nfs/dbraw/zinc/41/97/43/552419743.db2.gz ZCDNRPPFBQDQHR-UNHOLODBSA-N 1 1 666.724 4.698 40 0 KJABMO CCOC(=O)Oc1c(OC)cc(C(=O)O[C@H]2C[C@H]3C[N@@H+]4CCc5c6ccc(OC)cc6[nH]c5[C@@H]4C[C@@H]3[C@H](C(=O)OC)[C@@H]2OC)cc1OC ZINC000003831495 552419741 /nfs/dbraw/zinc/41/97/41/552419741.db2.gz ZCDNRPPFBQDQHR-UNHOLODBSA-N 1 1 666.724 4.698 40 0 KJABMO Cc1c(O)cccc1C(=O)N[C@H](CSc1ccccc1)[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C[C@@H]1C(=O)NC(C)(C)C ZINC000003874489 552421423 /nfs/dbraw/zinc/42/14/23/552421423.db2.gz QAGYKUNXZHXKMR-UCQRENLISA-N 1 1 567.796 4.748 40 0 aggregator,in-vitro KJABMO Cc1c(O)cccc1C(=O)N[C@H](CSc1ccccc1)[C@@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C[C@@H]1C(=O)NC(C)(C)C ZINC000003874490 552421374 /nfs/dbraw/zinc/42/13/74/552421374.db2.gz QAGYKUNXZHXKMR-URROMKBVSA-N 1 1 567.796 4.748 40 0 KJABMO COC(=O)[C@@H]1[C@@H](OC)[C@H](OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)C[C@@H]2C[N@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@H]3C[C@@H]21 ZINC000004097185 552436158 /nfs/dbraw/zinc/43/61/58/552436158.db2.gz SZLZWPPUNLXJEA-QEGASFHISA-N 1 1 634.726 4.571 40 0 biogenic,world KJABMO COC(=O)[C@@H]1[C@@H](OC)[C@H](OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)C[C@@H]2C[N@@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@H]3C[C@@H]21 ZINC000004097185 552436155 /nfs/dbraw/zinc/43/61/55/552436155.db2.gz SZLZWPPUNLXJEA-QEGASFHISA-N 1 1 634.726 4.571 40 0 biogenic,world KJABMO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)[C@@H](O)c1cc(I)c(O)c(I)c1 ZINC000004212215 552449570 /nfs/dbraw/zinc/44/95/70/552449570.db2.gz RFIXURDMUINBMD-FHSNZYRGSA-N 1 1 551.206 4.634 40 0 in-man KJABMO O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000006013478 552518616 /nfs/dbraw/zinc/51/86/16/552518616.db2.gz GYCMFSBKRZKZJD-UHFFFAOYSA-N 1 1 557.691 4.950 40 0 KJABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)[N@H+]1CCCC2(CCCCC2)C1 ZINC000006149093 552549596 /nfs/dbraw/zinc/54/95/96/552549596.db2.gz MMBZNSFQBOOARF-XMMPIXPASA-N 1 1 508.667 4.813 40 0 KJABMO CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000006149093 552549593 /nfs/dbraw/zinc/54/95/93/552549593.db2.gz MMBZNSFQBOOARF-XMMPIXPASA-N 1 1 508.667 4.813 40 0 KJABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)[N@H+]1CCCC2(CCCCC2)C1 ZINC000006149384 552550308 /nfs/dbraw/zinc/55/03/08/552550308.db2.gz MMBZNSFQBOOARF-DEOSSOPVSA-N 1 1 508.667 4.813 40 0 KJABMO CCC(C)(C)n1nnnc1[C@H](c1cc2cc(OC)c(OC)cc2[nH]c1=O)[N@@H+]1CCCC2(CCCCC2)C1 ZINC000006149384 552550304 /nfs/dbraw/zinc/55/03/04/552550304.db2.gz MMBZNSFQBOOARF-DEOSSOPVSA-N 1 1 508.667 4.813 40 0 KJABMO Cc1sc(NC(=O)C[NH+]2CCCCCC2)nc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 ZINC000006173204 552559043 /nfs/dbraw/zinc/55/90/43/552559043.db2.gz YJVSEZMJDBMOBO-UHFFFAOYSA-N 1 1 510.685 4.684 40 0 KJABMO C[N@@H+](CC(=O)Nc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cs1)C1CCCCC1 ZINC000006173208 552559001 /nfs/dbraw/zinc/55/90/01/552559001.db2.gz JVYNTKVLRGIEIW-UHFFFAOYSA-N 1 1 510.685 4.765 40 0 KJABMO COc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282866 552578181 /nfs/dbraw/zinc/57/81/81/552578181.db2.gz GESGVOBASNJSQJ-SANMLTNESA-N 1 1 516.621 4.846 40 0 KJABMO COc1ccc2cc([C@@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282866 552578180 /nfs/dbraw/zinc/57/81/80/552578180.db2.gz GESGVOBASNJSQJ-SANMLTNESA-N 1 1 516.621 4.846 40 0 KJABMO COc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[N@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282930 552578223 /nfs/dbraw/zinc/57/82/23/552578223.db2.gz GESGVOBASNJSQJ-AREMUKBSSA-N 1 1 516.621 4.846 40 0 KJABMO COc1ccc2cc([C@H](c3nnnn3Cc3ccc(F)cc3)[N@@H+]3CCCC4(CCCCC4)C3)c(=O)[nH]c2c1 ZINC000006282930 552578222 /nfs/dbraw/zinc/57/82/22/552578222.db2.gz GESGVOBASNJSQJ-AREMUKBSSA-N 1 1 516.621 4.846 40 0 KJABMO O=C(c1nn2c(c1Cl)N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)(F)F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000008444782 553051671 /nfs/dbraw/zinc/05/16/71/553051671.db2.gz UTDNFSHITUPIRW-BZUAXINKSA-N 1 1 532.792 4.880 40 0 KJABMO O=C(c1nn2c(c1Cl)N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000008444786 553051715 /nfs/dbraw/zinc/05/17/15/553051715.db2.gz UTDNFSHITUPIRW-OAGGEKHMSA-N 1 1 532.792 4.880 40 0 KJABMO Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccccc3Br)nc(C)n2)cc1 ZINC000008623156 553103688 /nfs/dbraw/zinc/10/36/88/553103688.db2.gz IXPIQDLWSLPGRG-MZKRTTBSSA-N 1 1 541.515 4.679 40 0 biogenic,in-vitro KJABMO Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(-c3ccccc3Br)nc(C)n2)cc1 ZINC000008623156 553103687 /nfs/dbraw/zinc/10/36/87/553103687.db2.gz IXPIQDLWSLPGRG-MZKRTTBSSA-N 1 1 541.515 4.679 40 0 biogenic,in-vitro KJABMO CCOc1ccc2nc(NC(=O)C[NH+]3CCC(n4nnc5cc(C(F)(F)F)ccc54)CC3)sc2c1 ZINC000008828659 553157260 /nfs/dbraw/zinc/15/72/60/553157260.db2.gz PHQQBFKDTXONPB-UHFFFAOYSA-N 1 1 504.538 4.734 40 0 KJABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cc(Br)ccc3Cl)cc2Cl)CC1 ZINC000008898158 553180208 /nfs/dbraw/zinc/18/02/08/553180208.db2.gz QNVKRMXEGNBMKB-UHFFFAOYSA-N 1 1 502.265 4.635 40 0 KJABMO COc1ccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000009062742 553205249 /nfs/dbraw/zinc/20/52/49/553205249.db2.gz XEFCRBUIHZMAKE-UHFFFAOYSA-N 1 1 524.058 4.513 40 0 KJABMO COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000009062939 553205247 /nfs/dbraw/zinc/20/52/47/553205247.db2.gz FFKCUWQUANTKHS-UHFFFAOYSA-N 1 1 507.656 4.964 40 0 KJABMO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4C)CC3)cc2)c(OC)c1 ZINC000009062946 553205240 /nfs/dbraw/zinc/20/52/40/553205240.db2.gz NHYCJLGJNYHALE-UHFFFAOYSA-N 1 1 523.655 4.664 40 0 KJABMO COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000009063052 553205251 /nfs/dbraw/zinc/20/52/51/553205251.db2.gz FRNOWGDVISTVIA-UHFFFAOYSA-N 1 1 507.656 4.964 40 0 KJABMO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4cccc(C)c4)CC3)cc2)c(OC)c1 ZINC000009063056 553205214 /nfs/dbraw/zinc/20/52/14/553205214.db2.gz UVKJRQLKGACJSV-UHFFFAOYSA-N 1 1 523.655 4.664 40 0 KJABMO COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000009063150 553205222 /nfs/dbraw/zinc/20/52/22/553205222.db2.gz FRZCZJNIFGFLPV-UHFFFAOYSA-N 1 1 507.656 4.964 40 0 KJABMO COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000009063511 553205595 /nfs/dbraw/zinc/20/55/95/553205595.db2.gz CAIWUIUECKILJY-UHFFFAOYSA-N 1 1 511.619 4.794 40 0 KJABMO COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000009063610 553205549 /nfs/dbraw/zinc/20/55/49/553205549.db2.gz QPFLXRUOLDIOII-UHFFFAOYSA-N 1 1 511.619 4.794 40 0 KJABMO O=C([C@@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000009234451 553224937 /nfs/dbraw/zinc/22/49/37/553224937.db2.gz ZHJKKJFZCXMXKG-OIFRRMEBSA-N 1 1 535.688 4.707 40 0 KJABMO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cc2)c(OC)c1 ZINC000010315326 553333250 /nfs/dbraw/zinc/33/32/50/553333250.db2.gz JYCDNTQDCKAZOU-UHFFFAOYSA-N 1 1 509.628 4.743 40 0 KJABMO COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)cc2)c1 ZINC000010333115 553334208 /nfs/dbraw/zinc/33/42/08/553334208.db2.gz UMZJRNAIVIRPFK-UHFFFAOYSA-N 1 1 509.628 4.743 40 0 KJABMO Cc1ccc(N(C(=O)C[NH+]2CCC(C(N)=O)CC2)[C@@H]2C[C@H](C)N(C(=O)c3ccco3)c3ccc(C)cc32)cc1 ZINC000010383859 553336100 /nfs/dbraw/zinc/33/61/00/553336100.db2.gz JKLHURUPANQDHA-WXVAWEFUSA-N 1 1 528.653 4.607 40 0 KJABMO Cc1ccc(N(C(=O)C[NH+]2CCC(C(N)=O)CC2)[C@H]2C[C@H](C)N(C(=O)c3ccco3)c3ccc(C)cc32)cc1 ZINC000010383866 553336062 /nfs/dbraw/zinc/33/60/62/553336062.db2.gz JKLHURUPANQDHA-CUNXSJBXSA-N 1 1 528.653 4.607 40 0 KJABMO Cc1ccc(N(C(=O)C[NH+]2CCC(C(N)=O)CC2)[C@@H]2C[C@@H](C)N(C(=O)c3ccco3)c3ccc(C)cc32)cc1 ZINC000010383875 553336052 /nfs/dbraw/zinc/33/60/52/553336052.db2.gz JKLHURUPANQDHA-AJTFRIOCSA-N 1 1 528.653 4.607 40 0 KJABMO Cc1ccc(N(C(=O)C[NH+]2CCC(C(N)=O)CC2)[C@H]2C[C@@H](C)N(C(=O)c3ccco3)c3ccc(C)cc32)cc1 ZINC000010383882 553335967 /nfs/dbraw/zinc/33/59/67/553335967.db2.gz JKLHURUPANQDHA-AMGIVPHBSA-N 1 1 528.653 4.607 40 0 KJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1ccccc1C(=O)OC ZINC000012635671 553406696 /nfs/dbraw/zinc/40/66/96/553406696.db2.gz FFFSKURGDNFBJS-JOCHJYFZSA-N 1 1 506.672 4.615 40 0 KJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1ccccc1C(=O)OC ZINC000012635676 553406764 /nfs/dbraw/zinc/40/67/64/553406764.db2.gz FFFSKURGDNFBJS-QFIPXVFZSA-N 1 1 506.672 4.615 40 0 KJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1ccc(OC)cc1OC ZINC000012635716 553406727 /nfs/dbraw/zinc/40/67/27/553406727.db2.gz ZDHAFYJROQOBGD-JOCHJYFZSA-N 1 1 508.688 4.845 40 0 KJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1ccc(OC)cc1OC ZINC000012635720 553406710 /nfs/dbraw/zinc/40/67/10/553406710.db2.gz ZDHAFYJROQOBGD-QFIPXVFZSA-N 1 1 508.688 4.845 40 0 KJABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NCCc1ccc(OC)c(OC)c1 ZINC000012635725 553406718 /nfs/dbraw/zinc/40/67/18/553406718.db2.gz RNBSTOGWNJATEB-RUZDIDTESA-N 1 1 536.742 4.566 40 0 KJABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NCCc1ccc(OC)c(OC)c1 ZINC000012635731 553406783 /nfs/dbraw/zinc/40/67/83/553406783.db2.gz RNBSTOGWNJATEB-VWLOTQADSA-N 1 1 536.742 4.566 40 0 KJABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013064401 553443914 /nfs/dbraw/zinc/44/39/14/553443914.db2.gz DQSCPSGATZTVGO-RUZDIDTESA-N 1 1 514.630 4.597 40 0 KJABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013064401 553443913 /nfs/dbraw/zinc/44/39/13/553443913.db2.gz DQSCPSGATZTVGO-RUZDIDTESA-N 1 1 514.630 4.597 40 0 KJABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013064402 553444048 /nfs/dbraw/zinc/44/40/48/553444048.db2.gz DQSCPSGATZTVGO-VWLOTQADSA-N 1 1 514.630 4.597 40 0 KJABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3 ZINC000013064402 553444046 /nfs/dbraw/zinc/44/40/46/553444046.db2.gz DQSCPSGATZTVGO-VWLOTQADSA-N 1 1 514.630 4.597 40 0 KJABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064516 553443940 /nfs/dbraw/zinc/44/39/40/553443940.db2.gz ZKQDIGLMEPMICQ-XMMPIXPASA-N 1 1 520.609 4.615 40 0 KJABMO CC[C@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064516 553443939 /nfs/dbraw/zinc/44/39/39/553443939.db2.gz ZKQDIGLMEPMICQ-XMMPIXPASA-N 1 1 520.609 4.615 40 0 KJABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064517 553444010 /nfs/dbraw/zinc/44/40/10/553444010.db2.gz ZKQDIGLMEPMICQ-DEOSSOPVSA-N 1 1 520.609 4.615 40 0 KJABMO CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064517 553444007 /nfs/dbraw/zinc/44/40/07/553444007.db2.gz ZKQDIGLMEPMICQ-DEOSSOPVSA-N 1 1 520.609 4.615 40 0 KJABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064530 553443911 /nfs/dbraw/zinc/44/39/11/553443911.db2.gz RBJIEKRUHAEFBA-RUZDIDTESA-N 1 1 516.646 4.670 40 0 KJABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064530 553443910 /nfs/dbraw/zinc/44/39/10/553443910.db2.gz RBJIEKRUHAEFBA-RUZDIDTESA-N 1 1 516.646 4.670 40 0 KJABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064531 553444286 /nfs/dbraw/zinc/44/42/86/553444286.db2.gz RBJIEKRUHAEFBA-VWLOTQADSA-N 1 1 516.646 4.670 40 0 KJABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1 ZINC000013064531 553444283 /nfs/dbraw/zinc/44/42/83/553444283.db2.gz RBJIEKRUHAEFBA-VWLOTQADSA-N 1 1 516.646 4.670 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064631 553444358 /nfs/dbraw/zinc/44/43/58/553444358.db2.gz VFFBMIIEMFGLDL-AHKZPQOWSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064631 553444357 /nfs/dbraw/zinc/44/43/57/553444357.db2.gz VFFBMIIEMFGLDL-AHKZPQOWSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064632 553444382 /nfs/dbraw/zinc/44/43/82/553444382.db2.gz VFFBMIIEMFGLDL-BDYUSTAISA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000013064632 553444381 /nfs/dbraw/zinc/44/43/81/553444381.db2.gz VFFBMIIEMFGLDL-BDYUSTAISA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064866 553444364 /nfs/dbraw/zinc/44/43/64/553444364.db2.gz SSMZNNHNKUQFSU-RPLLCQBOSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064866 553444363 /nfs/dbraw/zinc/44/43/63/553444363.db2.gz SSMZNNHNKUQFSU-RPLLCQBOSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064867 553444370 /nfs/dbraw/zinc/44/43/70/553444370.db2.gz SSMZNNHNKUQFSU-IGKIAQTJSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000013064867 553444369 /nfs/dbraw/zinc/44/43/69/553444369.db2.gz SSMZNNHNKUQFSU-IGKIAQTJSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065220 553444562 /nfs/dbraw/zinc/44/45/62/553444562.db2.gz PUNDEXWHTCQALH-AZGAKELHSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065220 553444559 /nfs/dbraw/zinc/44/45/59/553444559.db2.gz PUNDEXWHTCQALH-AZGAKELHSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065221 553444536 /nfs/dbraw/zinc/44/45/36/553444536.db2.gz PUNDEXWHTCQALH-AHWVRZQESA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013065221 553444533 /nfs/dbraw/zinc/44/45/33/553444533.db2.gz PUNDEXWHTCQALH-AHWVRZQESA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494568 553460358 /nfs/dbraw/zinc/46/03/58/553460358.db2.gz UYHOKOWKZSPDQJ-HSZRJFAPSA-N 1 1 518.662 4.791 40 0 KJABMO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494568 553460356 /nfs/dbraw/zinc/46/03/56/553460356.db2.gz UYHOKOWKZSPDQJ-HSZRJFAPSA-N 1 1 518.662 4.791 40 0 KJABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494570 553460253 /nfs/dbraw/zinc/46/02/53/553460253.db2.gz UYHOKOWKZSPDQJ-QHCPKHFHSA-N 1 1 518.662 4.791 40 0 KJABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013494570 553460251 /nfs/dbraw/zinc/46/02/51/553460251.db2.gz UYHOKOWKZSPDQJ-QHCPKHFHSA-N 1 1 518.662 4.791 40 0 KJABMO CC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494572 553460392 /nfs/dbraw/zinc/46/03/92/553460392.db2.gz WGINAKFSBWCABO-XMMPIXPASA-N 1 1 518.662 4.791 40 0 KJABMO CC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494572 553460391 /nfs/dbraw/zinc/46/03/91/553460391.db2.gz WGINAKFSBWCABO-XMMPIXPASA-N 1 1 518.662 4.791 40 0 KJABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494574 553460287 /nfs/dbraw/zinc/46/02/87/553460287.db2.gz WGINAKFSBWCABO-DEOSSOPVSA-N 1 1 518.662 4.791 40 0 KJABMO CC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013494574 553460285 /nfs/dbraw/zinc/46/02/85/553460285.db2.gz WGINAKFSBWCABO-DEOSSOPVSA-N 1 1 518.662 4.791 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495846 553462725 /nfs/dbraw/zinc/46/27/25/553462725.db2.gz WAXOXSSFZNHMPG-IZZNHLLZSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495846 553462723 /nfs/dbraw/zinc/46/27/23/553462723.db2.gz WAXOXSSFZNHMPG-IZZNHLLZSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495847 553462708 /nfs/dbraw/zinc/46/27/08/553462708.db2.gz WAXOXSSFZNHMPG-UIOOFZCWSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495847 553462706 /nfs/dbraw/zinc/46/27/06/553462706.db2.gz WAXOXSSFZNHMPG-UIOOFZCWSA-N 1 1 500.647 4.506 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013495862 553463146 /nfs/dbraw/zinc/46/31/46/553463146.db2.gz ITUGDFIBIMORFK-MHZLTWQESA-N 1 1 512.614 4.751 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013495862 553463144 /nfs/dbraw/zinc/46/31/44/553463144.db2.gz ITUGDFIBIMORFK-MHZLTWQESA-N 1 1 512.614 4.751 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013495863 553463152 /nfs/dbraw/zinc/46/31/52/553463152.db2.gz ITUGDFIBIMORFK-HHHXNRCGSA-N 1 1 512.614 4.751 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@H](CC)c3nnnn3Cc3ccco3)cc2c1 ZINC000013495863 553463150 /nfs/dbraw/zinc/46/31/50/553463150.db2.gz ITUGDFIBIMORFK-HHHXNRCGSA-N 1 1 512.614 4.751 40 0 KJABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495866 553463007 /nfs/dbraw/zinc/46/30/07/553463007.db2.gz AHJNWLLHKHDVHD-HSZRJFAPSA-N 1 1 502.619 4.584 40 0 KJABMO CC[C@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495866 553463006 /nfs/dbraw/zinc/46/30/06/553463006.db2.gz AHJNWLLHKHDVHD-HSZRJFAPSA-N 1 1 502.619 4.584 40 0 KJABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495867 553463085 /nfs/dbraw/zinc/46/30/85/553463085.db2.gz AHJNWLLHKHDVHD-QHCPKHFHSA-N 1 1 502.619 4.584 40 0 KJABMO CC[C@@H](c1nnnn1C(C)(C)CC)[N@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495867 553463083 /nfs/dbraw/zinc/46/30/83/553463083.db2.gz AHJNWLLHKHDVHD-QHCPKHFHSA-N 1 1 502.619 4.584 40 0 KJABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495868 553463095 /nfs/dbraw/zinc/46/30/95/553463095.db2.gz YTBIYIXUPFKEKM-XMMPIXPASA-N 1 1 500.603 4.554 40 0 KJABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495868 553463094 /nfs/dbraw/zinc/46/30/94/553463094.db2.gz YTBIYIXUPFKEKM-XMMPIXPASA-N 1 1 500.603 4.554 40 0 KJABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495869 553463117 /nfs/dbraw/zinc/46/31/17/553463117.db2.gz YTBIYIXUPFKEKM-DEOSSOPVSA-N 1 1 500.603 4.554 40 0 KJABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495869 553463116 /nfs/dbraw/zinc/46/31/16/553463116.db2.gz YTBIYIXUPFKEKM-DEOSSOPVSA-N 1 1 500.603 4.554 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495880 553462979 /nfs/dbraw/zinc/46/29/79/553462979.db2.gz NJESEUGGIVRGTA-IZZNHLLZSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495880 553462976 /nfs/dbraw/zinc/46/29/76/553462976.db2.gz NJESEUGGIVRGTA-IZZNHLLZSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495881 553463102 /nfs/dbraw/zinc/46/31/02/553463102.db2.gz NJESEUGGIVRGTA-UIOOFZCWSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495881 553463100 /nfs/dbraw/zinc/46/31/00/553463100.db2.gz NJESEUGGIVRGTA-UIOOFZCWSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495896 553463135 /nfs/dbraw/zinc/46/31/35/553463135.db2.gz NQKIZLPDLVFNHU-AHKZPQOWSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495896 553463133 /nfs/dbraw/zinc/46/31/33/553463133.db2.gz NQKIZLPDLVFNHU-AHKZPQOWSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495897 553462987 /nfs/dbraw/zinc/46/29/87/553462987.db2.gz NQKIZLPDLVFNHU-BDYUSTAISA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495897 553462985 /nfs/dbraw/zinc/46/29/85/553462985.db2.gz NQKIZLPDLVFNHU-BDYUSTAISA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495910 553463347 /nfs/dbraw/zinc/46/33/47/553463347.db2.gz JBJPNBXFHHKUIH-RRPNLBNLSA-N 1 1 514.674 4.815 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495910 553463345 /nfs/dbraw/zinc/46/33/45/553463345.db2.gz JBJPNBXFHHKUIH-RRPNLBNLSA-N 1 1 514.674 4.815 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495911 553463276 /nfs/dbraw/zinc/46/32/76/553463276.db2.gz JBJPNBXFHHKUIH-SVBPBHIXSA-N 1 1 514.674 4.815 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495911 553463275 /nfs/dbraw/zinc/46/32/75/553463275.db2.gz JBJPNBXFHHKUIH-SVBPBHIXSA-N 1 1 514.674 4.815 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3C)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495916 553463287 /nfs/dbraw/zinc/46/32/87/553463287.db2.gz VAVIGBGNGHKEEO-XCZPVHLTSA-N 1 1 530.673 4.597 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3C)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495916 553463285 /nfs/dbraw/zinc/46/32/85/553463285.db2.gz VAVIGBGNGHKEEO-XCZPVHLTSA-N 1 1 530.673 4.597 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3C)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495917 553463293 /nfs/dbraw/zinc/46/32/93/553463293.db2.gz VAVIGBGNGHKEEO-XTEPFMGCSA-N 1 1 530.673 4.597 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3C)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495917 553463291 /nfs/dbraw/zinc/46/32/91/553463291.db2.gz VAVIGBGNGHKEEO-XTEPFMGCSA-N 1 1 530.673 4.597 40 0 KJABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495918 553463326 /nfs/dbraw/zinc/46/33/26/553463326.db2.gz BZSMDKXZMYKKLQ-RUZDIDTESA-N 1 1 514.630 4.863 40 0 KJABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495918 553463324 /nfs/dbraw/zinc/46/33/24/553463324.db2.gz BZSMDKXZMYKKLQ-RUZDIDTESA-N 1 1 514.630 4.863 40 0 KJABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495919 553463249 /nfs/dbraw/zinc/46/32/49/553463249.db2.gz BZSMDKXZMYKKLQ-VWLOTQADSA-N 1 1 514.630 4.863 40 0 KJABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495919 553463248 /nfs/dbraw/zinc/46/32/48/553463248.db2.gz BZSMDKXZMYKKLQ-VWLOTQADSA-N 1 1 514.630 4.863 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495930 553463407 /nfs/dbraw/zinc/46/34/07/553463407.db2.gz GZPDOIRAKUWTNX-IZZNHLLZSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495930 553463405 /nfs/dbraw/zinc/46/34/05/553463405.db2.gz GZPDOIRAKUWTNX-IZZNHLLZSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495931 553463378 /nfs/dbraw/zinc/46/33/78/553463378.db2.gz GZPDOIRAKUWTNX-UIOOFZCWSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013495931 553463376 /nfs/dbraw/zinc/46/33/76/553463376.db2.gz GZPDOIRAKUWTNX-UIOOFZCWSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495936 553463271 /nfs/dbraw/zinc/46/32/71/553463271.db2.gz RDYZDKUUAHIOOJ-AHKZPQOWSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495936 553463269 /nfs/dbraw/zinc/46/32/69/553463269.db2.gz RDYZDKUUAHIOOJ-AHKZPQOWSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495937 553463244 /nfs/dbraw/zinc/46/32/44/553463244.db2.gz RDYZDKUUAHIOOJ-BDYUSTAISA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013495937 553463242 /nfs/dbraw/zinc/46/32/42/553463242.db2.gz RDYZDKUUAHIOOJ-BDYUSTAISA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495946 553463649 /nfs/dbraw/zinc/46/36/49/553463649.db2.gz HRQWLNTUKPAVIL-RRPNLBNLSA-N 1 1 514.674 4.815 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495946 553463648 /nfs/dbraw/zinc/46/36/48/553463648.db2.gz HRQWLNTUKPAVIL-RRPNLBNLSA-N 1 1 514.674 4.815 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495947 553463589 /nfs/dbraw/zinc/46/35/89/553463589.db2.gz HRQWLNTUKPAVIL-SVBPBHIXSA-N 1 1 514.674 4.815 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000013495947 553463588 /nfs/dbraw/zinc/46/35/88/553463588.db2.gz HRQWLNTUKPAVIL-SVBPBHIXSA-N 1 1 514.674 4.815 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3cccc(C)c3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495958 553463645 /nfs/dbraw/zinc/46/36/45/553463645.db2.gz VVXDGJFBOBDBSE-XCZPVHLTSA-N 1 1 530.673 4.597 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3cccc(C)c3)[C@@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495958 553463643 /nfs/dbraw/zinc/46/36/43/553463643.db2.gz VVXDGJFBOBDBSE-XCZPVHLTSA-N 1 1 530.673 4.597 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3cccc(C)c3)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495959 553463607 /nfs/dbraw/zinc/46/36/07/553463607.db2.gz VVXDGJFBOBDBSE-XTEPFMGCSA-N 1 1 530.673 4.597 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3cccc(C)c3)[C@H](CC)c3nnnn3C[C@@H]3CCCO3)cc2c1 ZINC000013495959 553463606 /nfs/dbraw/zinc/46/36/06/553463606.db2.gz VVXDGJFBOBDBSE-XTEPFMGCSA-N 1 1 530.673 4.597 40 0 KJABMO CC[C@H](c1nnnn1C1CCCC1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495964 553463630 /nfs/dbraw/zinc/46/36/30/553463630.db2.gz BZXPSJWCRBXWDI-RUZDIDTESA-N 1 1 514.630 4.863 40 0 KJABMO CC[C@H](c1nnnn1C1CCCC1)[N@H+](CCc1cccc(C)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495964 553463629 /nfs/dbraw/zinc/46/36/29/553463629.db2.gz BZXPSJWCRBXWDI-RUZDIDTESA-N 1 1 514.630 4.863 40 0 KJABMO CC[C@@H](c1nnnn1C1CCCC1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495965 553463639 /nfs/dbraw/zinc/46/36/39/553463639.db2.gz BZXPSJWCRBXWDI-VWLOTQADSA-N 1 1 514.630 4.863 40 0 KJABMO CC[C@@H](c1nnnn1C1CCCC1)[N@H+](CCc1cccc(C)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013495965 553463638 /nfs/dbraw/zinc/46/36/38/553463638.db2.gz BZXPSJWCRBXWDI-VWLOTQADSA-N 1 1 514.630 4.863 40 0 KJABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)cc12 ZINC000013499180 553465368 /nfs/dbraw/zinc/46/53/68/553465368.db2.gz JASQBBMBXQULKV-LBNVMWSVSA-N 1 1 514.674 4.752 40 0 KJABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)cc12 ZINC000013499180 553465367 /nfs/dbraw/zinc/46/53/67/553465367.db2.gz JASQBBMBXQULKV-LBNVMWSVSA-N 1 1 514.674 4.752 40 0 KJABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)cc12 ZINC000013499181 553465324 /nfs/dbraw/zinc/46/53/24/553465324.db2.gz JASQBBMBXQULKV-LSYYVWMOSA-N 1 1 514.674 4.752 40 0 KJABMO Cc1ccc(C)c2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@H](c3nnnn3C[C@@H]3CCCO3)C(C)C)cc12 ZINC000013499181 553465323 /nfs/dbraw/zinc/46/53/23/553465323.db2.gz JASQBBMBXQULKV-LSYYVWMOSA-N 1 1 514.674 4.752 40 0 KJABMO CCC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013499399 553465567 /nfs/dbraw/zinc/46/55/67/553465567.db2.gz HRHWNNLXCWJFSG-RUZDIDTESA-N 1 1 514.630 4.620 40 0 KJABMO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013499400 553465556 /nfs/dbraw/zinc/46/55/56/553465556.db2.gz HRHWNNLXCWJFSG-VWLOTQADSA-N 1 1 514.630 4.620 40 0 KJABMO CCC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013499413 553465612 /nfs/dbraw/zinc/46/56/12/553465612.db2.gz UBVSTNFACFUGHC-AREMUKBSSA-N 1 1 528.657 4.815 40 0 KJABMO CCC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCCO3)C1CCCC1 ZINC000013499414 553465588 /nfs/dbraw/zinc/46/55/88/553465588.db2.gz UBVSTNFACFUGHC-SANMLTNESA-N 1 1 528.657 4.815 40 0 KJABMO CCC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013500195 553465752 /nfs/dbraw/zinc/46/57/52/553465752.db2.gz BFNMRVCGNZQSBL-RUZDIDTESA-N 1 1 530.629 4.586 40 0 KJABMO CCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCC1 ZINC000013500196 553465748 /nfs/dbraw/zinc/46/57/48/553465748.db2.gz BFNMRVCGNZQSBL-VWLOTQADSA-N 1 1 530.629 4.586 40 0 KJABMO CCC[C@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000013500203 553465758 /nfs/dbraw/zinc/46/57/58/553465758.db2.gz KXUGFPMTDTVUHT-RUZDIDTESA-N 1 1 514.630 4.968 40 0 KJABMO CCC[C@@H](c1nnnn1Cc1ccccc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000013500204 553465770 /nfs/dbraw/zinc/46/57/70/553465770.db2.gz KXUGFPMTDTVUHT-VWLOTQADSA-N 1 1 514.630 4.968 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500512 553466091 /nfs/dbraw/zinc/46/60/91/553466091.db2.gz UEWNZHBXTFNTJH-NDEPHWFRSA-N 1 1 526.641 4.997 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500512 553466090 /nfs/dbraw/zinc/46/60/90/553466090.db2.gz UEWNZHBXTFNTJH-NDEPHWFRSA-N 1 1 526.641 4.997 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500513 553466062 /nfs/dbraw/zinc/46/60/62/553466062.db2.gz UEWNZHBXTFNTJH-MUUNZHRXSA-N 1 1 526.641 4.997 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3)[C@@H](c3nnnn3Cc3ccco3)C(C)C)cc2c1 ZINC000013500513 553466061 /nfs/dbraw/zinc/46/60/61/553466061.db2.gz UEWNZHBXTFNTJH-MUUNZHRXSA-N 1 1 526.641 4.997 40 0 KJABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500514 553466110 /nfs/dbraw/zinc/46/61/10/553466110.db2.gz WDFDAJAZTHKWBJ-AREMUKBSSA-N 1 1 516.646 4.830 40 0 KJABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500514 553466109 /nfs/dbraw/zinc/46/61/09/553466109.db2.gz WDFDAJAZTHKWBJ-AREMUKBSSA-N 1 1 516.646 4.830 40 0 KJABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500515 553466068 /nfs/dbraw/zinc/46/60/68/553466068.db2.gz WDFDAJAZTHKWBJ-SANMLTNESA-N 1 1 516.646 4.830 40 0 KJABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500515 553466066 /nfs/dbraw/zinc/46/60/66/553466066.db2.gz WDFDAJAZTHKWBJ-SANMLTNESA-N 1 1 516.646 4.830 40 0 KJABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500760 553466220 /nfs/dbraw/zinc/46/62/20/553466220.db2.gz NDCFAWPOOSXHQO-XMMPIXPASA-N 1 1 516.646 4.893 40 0 KJABMO CCC[C@H](c1nnnn1C(C)(C)C)[N@H+](CCc1cccc(C)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500760 553466218 /nfs/dbraw/zinc/46/62/18/553466218.db2.gz NDCFAWPOOSXHQO-XMMPIXPASA-N 1 1 516.646 4.893 40 0 KJABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500761 553466196 /nfs/dbraw/zinc/46/61/96/553466196.db2.gz NDCFAWPOOSXHQO-DEOSSOPVSA-N 1 1 516.646 4.893 40 0 KJABMO CCC[C@@H](c1nnnn1C(C)(C)C)[N@H+](CCc1cccc(C)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000013500761 553466193 /nfs/dbraw/zinc/46/61/93/553466193.db2.gz NDCFAWPOOSXHQO-DEOSSOPVSA-N 1 1 516.646 4.893 40 0 KJABMO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500982 553466494 /nfs/dbraw/zinc/46/64/94/553466494.db2.gz KRQAUNHBGFAYLJ-IZZNHLLZSA-N 1 1 500.647 4.588 40 0 KJABMO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500982 553466493 /nfs/dbraw/zinc/46/64/93/553466493.db2.gz KRQAUNHBGFAYLJ-IZZNHLLZSA-N 1 1 500.647 4.588 40 0 KJABMO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500983 553466524 /nfs/dbraw/zinc/46/65/24/553466524.db2.gz KRQAUNHBGFAYLJ-UIOOFZCWSA-N 1 1 500.647 4.588 40 0 KJABMO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500983 553466522 /nfs/dbraw/zinc/46/65/22/553466522.db2.gz KRQAUNHBGFAYLJ-UIOOFZCWSA-N 1 1 500.647 4.588 40 0 KJABMO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501000 553466530 /nfs/dbraw/zinc/46/65/30/553466530.db2.gz RKHKSYDNLKOAJM-XTEPFMGCSA-N 1 1 514.674 4.897 40 0 KJABMO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501000 553466528 /nfs/dbraw/zinc/46/65/28/553466528.db2.gz RKHKSYDNLKOAJM-XTEPFMGCSA-N 1 1 514.674 4.897 40 0 KJABMO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501001 553466474 /nfs/dbraw/zinc/46/64/74/553466474.db2.gz RKHKSYDNLKOAJM-XCZPVHLTSA-N 1 1 514.674 4.897 40 0 KJABMO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501001 553466473 /nfs/dbraw/zinc/46/64/73/553466473.db2.gz RKHKSYDNLKOAJM-XCZPVHLTSA-N 1 1 514.674 4.897 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)C3CCCC3)cc2c1 ZINC000013501188 553466502 /nfs/dbraw/zinc/46/65/02/553466502.db2.gz KITMOEZNALIDOB-MHZLTWQESA-N 1 1 516.646 4.866 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@H+]([C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)C3CCCC3)cc2c1 ZINC000013501188 553466500 /nfs/dbraw/zinc/46/65/00/553466500.db2.gz KITMOEZNALIDOB-MHZLTWQESA-N 1 1 516.646 4.866 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+]([C@H](CC)c3nnnn3Cc3ccc(OC)cc3)C3CCCC3)cc2c1 ZINC000013501189 553466580 /nfs/dbraw/zinc/46/65/80/553466580.db2.gz KITMOEZNALIDOB-HHHXNRCGSA-N 1 1 516.646 4.866 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@H+]([C@H](CC)c3nnnn3Cc3ccc(OC)cc3)C3CCCC3)cc2c1 ZINC000013501189 553466578 /nfs/dbraw/zinc/46/65/78/553466578.db2.gz KITMOEZNALIDOB-HHHXNRCGSA-N 1 1 516.646 4.866 40 0 KJABMO CC[C@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000013501218 553466488 /nfs/dbraw/zinc/46/64/88/553466488.db2.gz KLWSOMFAQSAASI-RUZDIDTESA-N 1 1 514.630 4.772 40 0 KJABMO CC[C@@H](c1nnnn1CCc1ccccc1)[N@@H+](Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1 ZINC000013501219 553466470 /nfs/dbraw/zinc/46/64/70/553466470.db2.gz KLWSOMFAQSAASI-VWLOTQADSA-N 1 1 514.630 4.772 40 0 KJABMO COc1ccc(S(=O)(=O)N(CCO)c2ccccc2C[N@@H+](C)C/C=C\c2ccc(Cl)cc2)cc1 ZINC000013519416 553468242 /nfs/dbraw/zinc/46/82/42/553468242.db2.gz LLLQTDSSHZREGW-WAYWQWQTSA-N 1 1 501.048 4.681 40 0 KJABMO CC[C@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712540 553486044 /nfs/dbraw/zinc/48/60/44/553486044.db2.gz BURLLKAATSZEIP-AREMUKBSSA-N 1 1 526.102 4.818 40 0 KJABMO CC[C@@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000013712542 553486124 /nfs/dbraw/zinc/48/61/24/553486124.db2.gz BURLLKAATSZEIP-SANMLTNESA-N 1 1 526.102 4.818 40 0 KJABMO CC[C@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714710 553486430 /nfs/dbraw/zinc/48/64/30/553486430.db2.gz ROWSJQLOPIPROG-AREMUKBSSA-N 1 1 526.102 4.818 40 0 KJABMO CC[C@@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714712 553486453 /nfs/dbraw/zinc/48/64/53/553486453.db2.gz ROWSJQLOPIPROG-SANMLTNESA-N 1 1 526.102 4.818 40 0 KJABMO CC[C@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716581 553486661 /nfs/dbraw/zinc/48/66/61/553486661.db2.gz IODCJRLWEABVLZ-MUUNZHRXSA-N 1 1 519.711 4.782 40 0 KJABMO CC[C@@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716584 553486639 /nfs/dbraw/zinc/48/66/39/553486639.db2.gz IODCJRLWEABVLZ-NDEPHWFRSA-N 1 1 519.711 4.782 40 0 KJABMO Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000014277091 553509964 /nfs/dbraw/zinc/50/99/64/553509964.db2.gz POSKMIAIJKOJHO-UHFFFAOYSA-N 1 1 509.075 4.863 40 0 KJABMO COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000014277131 553509931 /nfs/dbraw/zinc/50/99/31/553509931.db2.gz BTEAWVPZBJLFOI-UHFFFAOYSA-N 1 1 513.038 4.937 40 0 KJABMO COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cc1 ZINC000014277149 553509942 /nfs/dbraw/zinc/50/99/42/553509942.db2.gz QPNPVXZWOGFCAN-OVCLIPMQSA-N 1 1 504.631 4.683 40 0 KJABMO Cc1cc(I)c2c(c1)C(=O)C(CN1CCC[C@@H](C)C1)(C[N@H+]1CCC[C@@H](C)C1)CO2 ZINC000016284097 553558418 /nfs/dbraw/zinc/55/84/18/553558418.db2.gz BNTHIZBZHTVGFG-QZTJIDSGSA-N 1 1 510.460 4.625 40 0 KJABMO Cc1cc(I)c2c(c1)C(=O)[C@@](CN1CCC[C@H](C)C1)(C[N@H+]1CCC[C@@H](C)C1)CO2 ZINC000016284099 553558436 /nfs/dbraw/zinc/55/84/36/553558436.db2.gz BNTHIZBZHTVGFG-MRSFGVLCSA-N 1 1 510.460 4.625 40 0 KJABMO Cc1cc(I)c2c(c1)C(=O)[C@@](CN1CCC[C@H](C)C1)(C[N@@H+]1CCC[C@@H](C)C1)CO2 ZINC000016284099 553558435 /nfs/dbraw/zinc/55/84/35/553558435.db2.gz BNTHIZBZHTVGFG-MRSFGVLCSA-N 1 1 510.460 4.625 40 0 KJABMO Cc1cc(I)c2c(c1)C(=O)[C@](CN1CCC[C@@H](C)C1)(C[N@H+]1CCC[C@H](C)C1)CO2 ZINC000016284099 553558433 /nfs/dbraw/zinc/55/84/33/553558433.db2.gz BNTHIZBZHTVGFG-MRSFGVLCSA-N 1 1 510.460 4.625 40 0 KJABMO Cc1cc2oc(=O)cc(C)c2cc1OC[C@@H](C[NH+]1CCN(c2ccccc2)CC1)OC(=O)NC(C)(C)C ZINC000016284587 553558626 /nfs/dbraw/zinc/55/86/26/553558626.db2.gz BRNBAOCOGHTZQU-HSZRJFAPSA-N 1 1 507.631 4.504 40 0 KJABMO Cc1cc2oc(=O)cc(C)c2cc1OC[C@H](C[NH+]1CCN(c2ccccc2)CC1)OC(=O)NC(C)(C)C ZINC000016284589 553558636 /nfs/dbraw/zinc/55/86/36/553558636.db2.gz BRNBAOCOGHTZQU-QHCPKHFHSA-N 1 1 507.631 4.504 40 0 KJABMO Cc1ccc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1NC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000016347465 553560874 /nfs/dbraw/zinc/56/08/74/553560874.db2.gz BCPZHQDYKJXFOF-UHFFFAOYSA-N 1 1 526.685 4.694 40 0 KJABMO O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000016477745 553565868 /nfs/dbraw/zinc/56/58/68/553565868.db2.gz OFVQVHXLDQVFAY-UHFFFAOYSA-N 1 1 531.722 4.944 40 0 KJABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cc(Cl)c(OC)c(Cl)c3)cc2Cl)CC1 ZINC000016681550 553572086 /nfs/dbraw/zinc/57/20/86/553572086.db2.gz CPCRUJLSOCPSSQ-UHFFFAOYSA-N 1 1 501.867 4.924 40 0 KJABMO CCOc1cc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](CC)CC3)c(Cl)c2)cc(OCC)c1OCC ZINC000016681552 553572072 /nfs/dbraw/zinc/57/20/72/553572072.db2.gz HMXSKFXFNGFJRA-UHFFFAOYSA-N 1 1 535.110 4.805 40 0 KJABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cc(Cl)cc(Cl)c3OC)cc2Cl)CC1 ZINC000016681554 553572044 /nfs/dbraw/zinc/57/20/44/553572044.db2.gz YTLKUYMTFNCBIY-UHFFFAOYSA-N 1 1 501.867 4.924 40 0 KJABMO CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](CC)CC3)c(Cl)c2)cc1Br ZINC000016681561 553572067 /nfs/dbraw/zinc/57/20/67/553572067.db2.gz UUPCADHSUPEVOA-UHFFFAOYSA-N 1 1 525.900 4.770 40 0 KJABMO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000019369917 553614236 /nfs/dbraw/zinc/61/42/36/553614236.db2.gz XESODQRWBFMKEB-BABIULLVSA-N 1 1 500.683 4.679 40 0 KJABMO Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000019826514 553622133 /nfs/dbraw/zinc/62/21/33/553622133.db2.gz SYRMBXNIPHHSEA-MUUNZHRXSA-N 1 1 511.674 4.544 40 0 KJABMO Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1C ZINC000019826516 553622176 /nfs/dbraw/zinc/62/21/76/553622176.db2.gz SYRMBXNIPHHSEA-NDEPHWFRSA-N 1 1 511.674 4.544 40 0 KJABMO O=C(COc1ccc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1)Nc1ccc(Br)cc1 ZINC000019831287 553622654 /nfs/dbraw/zinc/62/26/54/553622654.db2.gz MACJTXVSMSJIJG-UHFFFAOYSA-N 1 1 524.484 4.960 40 0 KJABMO CC[NH+]1CCN(C(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000019855864 553624887 /nfs/dbraw/zinc/62/48/87/553624887.db2.gz MRHRVFRDYAXUMY-UHFFFAOYSA-N 1 1 512.075 4.822 40 0 KJABMO CC[NH+]1CCN(C(=O)c2ccc(CN(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000019856792 553628216 /nfs/dbraw/zinc/62/82/16/553628216.db2.gz IDYZGPCJXHBEIY-UHFFFAOYSA-N 1 1 512.075 4.822 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000019931724 553635446 /nfs/dbraw/zinc/63/54/46/553635446.db2.gz DEZDRHZVNXRTRQ-UHFFFAOYSA-N 1 1 509.031 4.654 40 0 KJABMO Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940295 553638393 /nfs/dbraw/zinc/63/83/93/553638393.db2.gz VWYZDPZONIYHSI-MUUNZHRXSA-N 1 1 511.674 4.544 40 0 KJABMO Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000019940296 553638429 /nfs/dbraw/zinc/63/84/29/553638429.db2.gz VWYZDPZONIYHSI-NDEPHWFRSA-N 1 1 511.674 4.544 40 0 KJABMO Cc1cc2cc([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000019940782 553640985 /nfs/dbraw/zinc/64/09/85/553640985.db2.gz GKODZIVTIUSJLB-MUUNZHRXSA-N 1 1 511.674 4.544 40 0 KJABMO Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2cc1C ZINC000019940783 553640949 /nfs/dbraw/zinc/64/09/49/553640949.db2.gz GKODZIVTIUSJLB-NDEPHWFRSA-N 1 1 511.674 4.544 40 0 KJABMO Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000019940876 553641527 /nfs/dbraw/zinc/64/15/27/553641527.db2.gz PLSKITGJDWWXBR-MUUNZHRXSA-N 1 1 511.674 4.544 40 0 KJABMO Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000019940877 553641451 /nfs/dbraw/zinc/64/14/51/553641451.db2.gz PLSKITGJDWWXBR-NDEPHWFRSA-N 1 1 511.674 4.544 40 0 KJABMO Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940950 553641995 /nfs/dbraw/zinc/64/19/95/553641995.db2.gz SHZFKPGOGHBRFP-MUUNZHRXSA-N 1 1 511.674 4.544 40 0 KJABMO Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)N3CC[NH+](Cc4ccccc4)CC3)c(=O)[nH]c2c1 ZINC000019940951 553641945 /nfs/dbraw/zinc/64/19/45/553641945.db2.gz SHZFKPGOGHBRFP-NDEPHWFRSA-N 1 1 511.674 4.544 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000020034644 553667176 /nfs/dbraw/zinc/66/71/76/553667176.db2.gz GOIIPKFXMYFXQB-UHFFFAOYSA-N 1 1 502.640 4.618 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000020039855 553668573 /nfs/dbraw/zinc/66/85/73/553668573.db2.gz VDOKFBVGPRDAOK-UHFFFAOYSA-N 1 1 523.058 4.963 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 ZINC000020042276 553669198 /nfs/dbraw/zinc/66/91/98/553669198.db2.gz HRASAOPYHAYLHZ-UHFFFAOYSA-N 1 1 509.031 4.654 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O ZINC000020042938 553669128 /nfs/dbraw/zinc/66/91/28/553669128.db2.gz HKQITIOZVBXGFM-UHFFFAOYSA-N 1 1 532.710 4.731 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000020046065 553669878 /nfs/dbraw/zinc/66/98/78/553669878.db2.gz SIYDCDDSAOSVKI-UHFFFAOYSA-N 1 1 502.640 4.618 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1 ZINC000020046916 553670263 /nfs/dbraw/zinc/67/02/63/553670263.db2.gz PMCAFXHMOMFFQI-UHFFFAOYSA-N 1 1 509.031 4.730 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 ZINC000020049275 553670839 /nfs/dbraw/zinc/67/08/39/553670839.db2.gz IBQBTYZZKIOMOR-UHFFFAOYSA-N 1 1 509.031 4.730 40 0 KJABMO COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCC(C)CC4)cc3)cc2)c1 ZINC000020106621 553689983 /nfs/dbraw/zinc/68/99/83/553689983.db2.gz ODOHWBMGIZLJIF-UHFFFAOYSA-N 1 1 523.655 4.989 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020107979 553691198 /nfs/dbraw/zinc/69/11/98/553691198.db2.gz MSBXDPXSUCRGLB-UHFFFAOYSA-N 1 1 502.640 4.618 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020108069 553691115 /nfs/dbraw/zinc/69/11/15/553691115.db2.gz ZESNHYJLCNJYHJ-UHFFFAOYSA-N 1 1 509.031 4.654 40 0 KJABMO CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccc3-n3cc[nH+]c3C)cc2)cc1 ZINC000020112115 553694255 /nfs/dbraw/zinc/69/42/55/553694255.db2.gz IEGYXDBJNYREAT-UHFFFAOYSA-N 1 1 506.653 4.658 40 0 KJABMO CC(C)c1ccc(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)cc1 ZINC000020236867 553623608 /nfs/dbraw/zinc/62/36/08/553623608.db2.gz NBVCQBOLYUMAEN-UHFFFAOYSA-N 1 1 505.684 4.510 40 0 KJABMO O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020239840 553625797 /nfs/dbraw/zinc/62/57/97/553625797.db2.gz MVZXQWPAFKKQRR-UHFFFAOYSA-N 1 1 518.466 4.533 40 0 KJABMO O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020239882 553626217 /nfs/dbraw/zinc/62/62/17/553626217.db2.gz PVKJROATKJWLMB-UHFFFAOYSA-N 1 1 518.466 4.533 40 0 KJABMO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000020412410 553647161 /nfs/dbraw/zinc/64/71/61/553647161.db2.gz XESODQRWBFMKEB-VUEUVUINSA-N 1 1 500.683 4.679 40 0 KJABMO O=C(c1ccc(CS(=O)(=O)N2CCCCC2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020450137 553650687 /nfs/dbraw/zinc/65/06/87/553650687.db2.gz ICZHLODVMHXLJW-UHFFFAOYSA-N 1 1 517.695 4.550 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 ZINC000020451259 553651285 /nfs/dbraw/zinc/65/12/85/553651285.db2.gz KKVKEXYWFFNKPV-UHFFFAOYSA-N 1 1 502.640 4.694 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020453345 553651887 /nfs/dbraw/zinc/65/18/87/553651887.db2.gz MPQCYRVZQUSPGQ-UHFFFAOYSA-N 1 1 523.058 4.963 40 0 KJABMO CSc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)c2ccc(C)cc2)cc1 ZINC000020453779 553652267 /nfs/dbraw/zinc/65/22/67/553652267.db2.gz KJEXVESZBRDHHV-UHFFFAOYSA-N 1 1 520.680 4.723 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 ZINC000020454352 553652294 /nfs/dbraw/zinc/65/22/94/553652294.db2.gz MXZAJQSBODYLOW-UHFFFAOYSA-N 1 1 509.031 4.654 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020456166 553653250 /nfs/dbraw/zinc/65/32/50/553653250.db2.gz KDFIILVNWUVJHS-UHFFFAOYSA-N 1 1 523.058 4.963 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020457583 553653747 /nfs/dbraw/zinc/65/37/47/553653747.db2.gz PJOHSPAHQJEGMV-UHFFFAOYSA-N 1 1 502.640 4.618 40 0 KJABMO CCc1ccccc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000020457881 553654033 /nfs/dbraw/zinc/65/40/33/553654033.db2.gz CALCCHBUEZDBMY-UHFFFAOYSA-N 1 1 502.640 4.563 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 ZINC000020459507 553654644 /nfs/dbraw/zinc/65/46/44/553654644.db2.gz SYJLZRGELIYZTH-UHFFFAOYSA-N 1 1 502.640 4.694 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000020460255 553655125 /nfs/dbraw/zinc/65/51/25/553655125.db2.gz KNKHSFKKAVCVSA-UHFFFAOYSA-N 1 1 509.031 4.654 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000020460862 553655521 /nfs/dbraw/zinc/65/55/21/553655521.db2.gz PJRZWZYIAOGTLE-UHFFFAOYSA-N 1 1 523.058 4.963 40 0 KJABMO C[N@@H+](CCc1ccccc1)[C@H]1[C@@H](CN(Cc2cccc(Cl)c2)Cc2cccc(Cl)c2)O[C@@H](CO)[C@H]1O ZINC000020464710 553656798 /nfs/dbraw/zinc/65/67/98/553656798.db2.gz PPGLGXXZGBCTPT-GIFPIDKJSA-N 1 1 529.508 4.659 40 0 biogenic,in-vitro KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 ZINC000020482857 553658249 /nfs/dbraw/zinc/65/82/49/553658249.db2.gz NTUWKDRGLISBQE-UHFFFAOYSA-N 1 1 509.031 4.730 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000020483223 553658237 /nfs/dbraw/zinc/65/82/37/553658237.db2.gz WONNIDSRXLRJLE-UHFFFAOYSA-N 1 1 502.640 4.618 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 ZINC000020484836 553658862 /nfs/dbraw/zinc/65/88/62/553658862.db2.gz AQPGVHYUSDPBDH-UHFFFAOYSA-N 1 1 509.031 4.730 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)S(C)(=O)=O)cc1 ZINC000020489119 553659758 /nfs/dbraw/zinc/65/97/58/553659758.db2.gz XLPKAEINAKZYGX-UHFFFAOYSA-N 1 1 532.710 4.731 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000020491645 553665428 /nfs/dbraw/zinc/66/54/28/553665428.db2.gz LHKQOCAVDVFALV-UHFFFAOYSA-N 1 1 509.031 4.654 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000020493289 553666121 /nfs/dbraw/zinc/66/61/21/553666121.db2.gz UUYJJJZCXCEUSU-UHFFFAOYSA-N 1 1 502.640 4.618 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 ZINC000020495855 553667574 /nfs/dbraw/zinc/66/75/74/553667574.db2.gz RBSODQLWMHFXQY-UHFFFAOYSA-N 1 1 509.031 4.730 40 0 KJABMO COc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c(OC)c1 ZINC000021595729 553715019 /nfs/dbraw/zinc/71/50/19/553715019.db2.gz BIPJJVCPNSXSSA-UHFFFAOYSA-N 1 1 525.074 4.806 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000022428277 553738698 /nfs/dbraw/zinc/73/86/98/553738698.db2.gz VGAQYJWOBALSAO-UHFFFAOYSA-N 1 1 502.640 4.816 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 ZINC000022428278 553738684 /nfs/dbraw/zinc/73/86/84/553738684.db2.gz YAJJNESKQMIRCP-UHFFFAOYSA-N 1 1 502.640 4.816 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 ZINC000022429286 553739480 /nfs/dbraw/zinc/73/94/80/553739480.db2.gz GUNSGUSPSSFMCH-UHFFFAOYSA-N 1 1 509.031 4.654 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022429289 553739586 /nfs/dbraw/zinc/73/95/86/553739586.db2.gz ZIPVPWFRJPTLCW-UHFFFAOYSA-N 1 1 509.031 4.654 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 ZINC000022429367 553739781 /nfs/dbraw/zinc/73/97/81/553739781.db2.gz UMNXPKCUGRUUPE-UHFFFAOYSA-N 1 1 509.031 4.654 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 ZINC000022429370 553739731 /nfs/dbraw/zinc/73/97/31/553739731.db2.gz JLUDQQFFEGEKEN-UHFFFAOYSA-N 1 1 509.031 4.654 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000022429503 553739798 /nfs/dbraw/zinc/73/97/98/553739798.db2.gz PRGNYLODANJYSY-UHFFFAOYSA-N 1 1 509.031 4.654 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000022430499 553740539 /nfs/dbraw/zinc/74/05/39/553740539.db2.gz MLIQQSDGHAVOGP-UHFFFAOYSA-N 1 1 502.640 4.618 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022430502 553740554 /nfs/dbraw/zinc/74/05/54/553740554.db2.gz YPMIHGDZQAPNGG-UHFFFAOYSA-N 1 1 502.640 4.618 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022430571 553740485 /nfs/dbraw/zinc/74/04/85/553740485.db2.gz LCAHWOTUUXVRGS-UHFFFAOYSA-N 1 1 502.640 4.618 40 0 KJABMO CCc1ccccc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022430648 553740583 /nfs/dbraw/zinc/74/05/83/553740583.db2.gz ZPDUHPZNWRQGFE-UHFFFAOYSA-N 1 1 502.640 4.563 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 ZINC000022430787 553740822 /nfs/dbraw/zinc/74/08/22/553740822.db2.gz UBUSUFTUDFVYLO-UHFFFAOYSA-N 1 1 509.031 4.654 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022430790 553740793 /nfs/dbraw/zinc/74/07/93/553740793.db2.gz LZRFJLXGHQWLOH-UHFFFAOYSA-N 1 1 509.031 4.654 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022430852 553740859 /nfs/dbraw/zinc/74/08/59/553740859.db2.gz LQWZFAIPHVAVJH-UHFFFAOYSA-N 1 1 509.031 4.654 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000022430928 553740771 /nfs/dbraw/zinc/74/07/71/553740771.db2.gz PIZSYINVKURPNT-UHFFFAOYSA-N 1 1 509.031 4.654 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022430934 553740847 /nfs/dbraw/zinc/74/08/47/553740847.db2.gz MYASUJMWSSAZOW-UHFFFAOYSA-N 1 1 509.031 4.654 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022431792 553741820 /nfs/dbraw/zinc/74/18/20/553741820.db2.gz YCQORKDIAVPOHB-UHFFFAOYSA-N 1 1 523.058 4.963 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022431798 553741834 /nfs/dbraw/zinc/74/18/34/553741834.db2.gz CCIXKIKRDIXEGJ-UHFFFAOYSA-N 1 1 523.058 4.963 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000022431848 553741885 /nfs/dbraw/zinc/74/18/85/553741885.db2.gz DSZWNTKPAXBRAK-UHFFFAOYSA-N 1 1 523.058 4.963 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000022431936 553742431 /nfs/dbraw/zinc/74/24/31/553742431.db2.gz RCMKVDPZQNZEOP-UHFFFAOYSA-N 1 1 523.058 4.963 40 0 KJABMO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCC(C)CC4)cc3)cc2)c(OC)c1 ZINC000022508654 553742987 /nfs/dbraw/zinc/74/29/87/553742987.db2.gz JUJVIKUUGUFXDO-UHFFFAOYSA-N 1 1 523.655 4.989 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000022531747 553745447 /nfs/dbraw/zinc/74/54/47/553745447.db2.gz WUCNAPMNLZCZMI-UHFFFAOYSA-N 1 1 509.031 4.654 40 0 KJABMO CCOc1cc([C@@H]2C(C(=O)N3CC[NH+](Cc4ccccc4)CC3)=C(C)Nc3nc4ccccc4n32)ccc1O ZINC000022847884 553760675 /nfs/dbraw/zinc/76/06/75/553760675.db2.gz UUVOYFGAYQBLGI-GDLZYMKVSA-N 1 1 523.637 4.774 40 0 KJABMO CCOc1cc([C@H]2C(C(=O)N3CC[NH+](Cc4ccccc4)CC3)=C(C)Nc3nc4ccccc4n32)ccc1O ZINC000022847887 553760695 /nfs/dbraw/zinc/76/06/95/553760695.db2.gz UUVOYFGAYQBLGI-LJAQVGFWSA-N 1 1 523.637 4.774 40 0 KJABMO COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000022860466 553762661 /nfs/dbraw/zinc/76/26/61/553762661.db2.gz CZRAUWJESFZHSF-UHFFFAOYSA-N 1 1 525.074 4.806 40 0 KJABMO COc1ccc(C[NH+]2CCN([C@H](c3nnnn3C3CCCCC3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)cc1 ZINC000022870132 553765044 /nfs/dbraw/zinc/76/50/44/553765044.db2.gz PMBWLZLTWYOWKD-LJAQVGFWSA-N 1 1 541.700 4.552 40 0 KJABMO COc1cccc(C[NH+]2CCN([C@H](c3nnnn3C3CCCCC3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)c1 ZINC000022870140 553765018 /nfs/dbraw/zinc/76/50/18/553765018.db2.gz QXLDIHQDDJGBDB-LJAQVGFWSA-N 1 1 541.700 4.552 40 0 KJABMO COc1ccc(C[NH+]2CCN([C@@H](c3nnnn3C3CCCCC3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)cc1 ZINC000022870234 553765347 /nfs/dbraw/zinc/76/53/47/553765347.db2.gz PMBWLZLTWYOWKD-GDLZYMKVSA-N 1 1 541.700 4.552 40 0 KJABMO COc1cccc(C[NH+]2CCN([C@@H](c3nnnn3C3CCCCC3)c3cc4cc(C)c(C)cc4[nH]c3=O)CC2)c1 ZINC000022870244 553765254 /nfs/dbraw/zinc/76/52/54/553765254.db2.gz QXLDIHQDDJGBDB-GDLZYMKVSA-N 1 1 541.700 4.552 40 0 KJABMO COc1cccc(C[NH+]2CCN([C@H](c3nnnn3C3CCCCC3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)c1 ZINC000022870346 553765250 /nfs/dbraw/zinc/76/52/50/553765250.db2.gz ZDCCVZMSIZLODY-LJAQVGFWSA-N 1 1 541.700 4.552 40 0 KJABMO COc1cccc(C[NH+]2CCN([C@@H](c3nnnn3C3CCCCC3)c3cc4c(C)ccc(C)c4[nH]c3=O)CC2)c1 ZINC000022871616 553765554 /nfs/dbraw/zinc/76/55/54/553765554.db2.gz ZDCCVZMSIZLODY-GDLZYMKVSA-N 1 1 541.700 4.552 40 0 KJABMO O=C(NCCN[C@@H](c1ccccc1)[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000023477061 553787287 /nfs/dbraw/zinc/78/72/87/553787287.db2.gz MUHYHXUJJZSZOX-RNPORBBMSA-N 1 1 506.650 4.508 40 0 KJABMO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000027521954 553828471 /nfs/dbraw/zinc/82/84/71/553828471.db2.gz HLCHESOMJVGDSJ-XZWHSSHBSA-N 1 1 589.184 4.563 40 0 in-vitro KJABMO CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000028208482 553838043 /nfs/dbraw/zinc/83/80/43/553838043.db2.gz CSBDSKVGXIKQLB-UHFFFAOYSA-N 1 1 519.711 4.584 40 0 KJABMO O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000028208579 553838228 /nfs/dbraw/zinc/83/82/28/553838228.db2.gz JAHNSTADZBVUPY-UHFFFAOYSA-N 1 1 531.722 4.728 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000030850403 553857632 /nfs/dbraw/zinc/85/76/32/553857632.db2.gz XYKJIXUYVKTQLP-UHFFFAOYSA-N 1 1 509.031 4.654 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000030867369 553859886 /nfs/dbraw/zinc/85/98/86/553859886.db2.gz QVDROXIIMIBNCH-UHFFFAOYSA-N 1 1 509.031 4.654 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000030872308 553860461 /nfs/dbraw/zinc/86/04/61/553860461.db2.gz SWRRJTDFYVSMDM-UHFFFAOYSA-N 1 1 502.640 4.618 40 0 KJABMO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000032127134 553866744 /nfs/dbraw/zinc/86/67/44/553866744.db2.gz RFUFAWZASYLWPH-UHFFFAOYSA-N 1 1 509.031 4.518 40 0 KJABMO O=C(OCc1ccccc1)[C@@]12CCC[N@H+]1[C@H](c1ccc3ccccc3n1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000033821680 553974348 /nfs/dbraw/zinc/97/43/48/553974348.db2.gz VDIVWQCPHRJJKY-REKFDVGBSA-N 1 1 517.585 4.673 40 0 KJABMO O=C(OCc1ccccc1)[C@@]12CCC[N@@H+]1[C@H](c1ccc3ccccc3n1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000033821680 553974345 /nfs/dbraw/zinc/97/43/45/553974345.db2.gz VDIVWQCPHRJJKY-REKFDVGBSA-N 1 1 517.585 4.673 40 0 KJABMO O=C(OCc1ccccc1)[C@]12CCC[N@H+]1[C@H](c1ccc3ccccc3n1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000033821681 553974310 /nfs/dbraw/zinc/97/43/10/553974310.db2.gz VDIVWQCPHRJJKY-XVUPITKPSA-N 1 1 517.585 4.673 40 0 KJABMO O=C(OCc1ccccc1)[C@]12CCC[N@@H+]1[C@H](c1ccc3ccccc3n1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 ZINC000033821681 553974304 /nfs/dbraw/zinc/97/43/04/553974304.db2.gz VDIVWQCPHRJJKY-XVUPITKPSA-N 1 1 517.585 4.673 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000033937038 553978083 /nfs/dbraw/zinc/97/80/83/553978083.db2.gz VFFBMIIEMFGLDL-VPUSJEBWSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000033937038 553978079 /nfs/dbraw/zinc/97/80/79/553978079.db2.gz VFFBMIIEMFGLDL-VPUSJEBWSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000033937039 553978182 /nfs/dbraw/zinc/97/81/82/553978182.db2.gz VFFBMIIEMFGLDL-XNMGPUDCSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000033937039 553978178 /nfs/dbraw/zinc/97/81/78/553978178.db2.gz VFFBMIIEMFGLDL-XNMGPUDCSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000033937055 553978629 /nfs/dbraw/zinc/97/86/29/553978629.db2.gz SSMZNNHNKUQFSU-SQHAQQRYSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000033937055 553978627 /nfs/dbraw/zinc/97/86/27/553978627.db2.gz SSMZNNHNKUQFSU-SQHAQQRYSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000033937056 553978579 /nfs/dbraw/zinc/97/85/79/553978579.db2.gz SSMZNNHNKUQFSU-SHQCIBLASA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000033937056 553978577 /nfs/dbraw/zinc/97/85/77/553978577.db2.gz SSMZNNHNKUQFSU-SHQCIBLASA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937071 553978637 /nfs/dbraw/zinc/97/86/37/553978637.db2.gz PUNDEXWHTCQALH-RSXGOPAZSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937071 553978635 /nfs/dbraw/zinc/97/86/35/553978635.db2.gz PUNDEXWHTCQALH-RSXGOPAZSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937072 553978645 /nfs/dbraw/zinc/97/86/45/553978645.db2.gz PUNDEXWHTCQALH-AOYPEHQESA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000033937072 553978643 /nfs/dbraw/zinc/97/86/43/553978643.db2.gz PUNDEXWHTCQALH-AOYPEHQESA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937173 553978967 /nfs/dbraw/zinc/97/89/67/553978967.db2.gz WAXOXSSFZNHMPG-FTJBHMTQSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937173 553978965 /nfs/dbraw/zinc/97/89/65/553978965.db2.gz WAXOXSSFZNHMPG-FTJBHMTQSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937174 553978853 /nfs/dbraw/zinc/97/88/53/553978853.db2.gz WAXOXSSFZNHMPG-CLJLJLNGSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937174 553978850 /nfs/dbraw/zinc/97/88/50/553978850.db2.gz WAXOXSSFZNHMPG-CLJLJLNGSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937177 553979174 /nfs/dbraw/zinc/97/91/74/553979174.db2.gz NJESEUGGIVRGTA-FTJBHMTQSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937177 553979171 /nfs/dbraw/zinc/97/91/71/553979171.db2.gz NJESEUGGIVRGTA-FTJBHMTQSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937178 553979370 /nfs/dbraw/zinc/97/93/70/553979370.db2.gz NJESEUGGIVRGTA-CLJLJLNGSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937178 553979367 /nfs/dbraw/zinc/97/93/67/553979367.db2.gz NJESEUGGIVRGTA-CLJLJLNGSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937179 553979206 /nfs/dbraw/zinc/97/92/06/553979206.db2.gz NQKIZLPDLVFNHU-VPUSJEBWSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937179 553979202 /nfs/dbraw/zinc/97/92/02/553979202.db2.gz NQKIZLPDLVFNHU-VPUSJEBWSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937180 553979190 /nfs/dbraw/zinc/97/91/90/553979190.db2.gz NQKIZLPDLVFNHU-XNMGPUDCSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937180 553979187 /nfs/dbraw/zinc/97/91/87/553979187.db2.gz NQKIZLPDLVFNHU-XNMGPUDCSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937181 553979282 /nfs/dbraw/zinc/97/92/82/553979282.db2.gz JBJPNBXFHHKUIH-SXOMAYOGSA-N 1 1 514.674 4.815 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937181 553979279 /nfs/dbraw/zinc/97/92/79/553979279.db2.gz JBJPNBXFHHKUIH-SXOMAYOGSA-N 1 1 514.674 4.815 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccccc1C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937182 553979292 /nfs/dbraw/zinc/97/92/92/553979292.db2.gz JBJPNBXFHHKUIH-KAYWLYCHSA-N 1 1 514.674 4.815 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccccc1C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937182 553979289 /nfs/dbraw/zinc/97/92/89/553979289.db2.gz JBJPNBXFHHKUIH-KAYWLYCHSA-N 1 1 514.674 4.815 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3C)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937183 553979347 /nfs/dbraw/zinc/97/93/47/553979347.db2.gz VAVIGBGNGHKEEO-IAPPQJPRSA-N 1 1 530.673 4.597 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3C)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937183 553979344 /nfs/dbraw/zinc/97/93/44/553979344.db2.gz VAVIGBGNGHKEEO-IAPPQJPRSA-N 1 1 530.673 4.597 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3ccccc3C)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937184 553979181 /nfs/dbraw/zinc/97/91/81/553979181.db2.gz VAVIGBGNGHKEEO-IXCJQBJRSA-N 1 1 530.673 4.597 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3ccccc3C)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937184 553979178 /nfs/dbraw/zinc/97/91/78/553979178.db2.gz VAVIGBGNGHKEEO-IXCJQBJRSA-N 1 1 530.673 4.597 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937185 553979266 /nfs/dbraw/zinc/97/92/66/553979266.db2.gz GZPDOIRAKUWTNX-FTJBHMTQSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937185 553979263 /nfs/dbraw/zinc/97/92/63/553979263.db2.gz GZPDOIRAKUWTNX-FTJBHMTQSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937186 553979137 /nfs/dbraw/zinc/97/91/37/553979137.db2.gz GZPDOIRAKUWTNX-CLJLJLNGSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937186 553979134 /nfs/dbraw/zinc/97/91/34/553979134.db2.gz GZPDOIRAKUWTNX-CLJLJLNGSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937187 553979217 /nfs/dbraw/zinc/97/92/17/553979217.db2.gz RDYZDKUUAHIOOJ-VPUSJEBWSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937187 553979214 /nfs/dbraw/zinc/97/92/14/553979214.db2.gz RDYZDKUUAHIOOJ-VPUSJEBWSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937188 553979259 /nfs/dbraw/zinc/97/92/59/553979259.db2.gz RDYZDKUUAHIOOJ-XNMGPUDCSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937188 553979256 /nfs/dbraw/zinc/97/92/56/553979256.db2.gz RDYZDKUUAHIOOJ-XNMGPUDCSA-N 1 1 500.647 4.506 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937189 553979339 /nfs/dbraw/zinc/97/93/39/553979339.db2.gz HRQWLNTUKPAVIL-SXOMAYOGSA-N 1 1 514.674 4.815 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937189 553979336 /nfs/dbraw/zinc/97/93/36/553979336.db2.gz HRQWLNTUKPAVIL-SXOMAYOGSA-N 1 1 514.674 4.815 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937190 553979166 /nfs/dbraw/zinc/97/91/66/553979166.db2.gz HRQWLNTUKPAVIL-KAYWLYCHSA-N 1 1 514.674 4.815 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000033937190 553979163 /nfs/dbraw/zinc/97/91/63/553979163.db2.gz HRQWLNTUKPAVIL-KAYWLYCHSA-N 1 1 514.674 4.815 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3cccc(C)c3)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937191 553979237 /nfs/dbraw/zinc/97/92/37/553979237.db2.gz VVXDGJFBOBDBSE-IAPPQJPRSA-N 1 1 530.673 4.597 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3cccc(C)c3)[C@@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937191 553979235 /nfs/dbraw/zinc/97/92/35/553979235.db2.gz VVXDGJFBOBDBSE-IAPPQJPRSA-N 1 1 530.673 4.597 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@@H+](CCc3cccc(C)c3)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937192 553979274 /nfs/dbraw/zinc/97/92/74/553979274.db2.gz VVXDGJFBOBDBSE-IXCJQBJRSA-N 1 1 530.673 4.597 40 0 KJABMO CCOc1ccc2[nH]c(=O)c(C[N@H+](CCc3cccc(C)c3)[C@H](CC)c3nnnn3C[C@H]3CCCO3)cc2c1 ZINC000033937192 553979271 /nfs/dbraw/zinc/97/92/71/553979271.db2.gz VVXDGJFBOBDBSE-IXCJQBJRSA-N 1 1 530.673 4.597 40 0 KJABMO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937368 553979574 /nfs/dbraw/zinc/97/95/74/553979574.db2.gz KRQAUNHBGFAYLJ-FTJBHMTQSA-N 1 1 500.647 4.588 40 0 KJABMO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937368 553979571 /nfs/dbraw/zinc/97/95/71/553979571.db2.gz KRQAUNHBGFAYLJ-FTJBHMTQSA-N 1 1 500.647 4.588 40 0 KJABMO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937369 553979675 /nfs/dbraw/zinc/97/96/75/553979675.db2.gz KRQAUNHBGFAYLJ-CLJLJLNGSA-N 1 1 500.647 4.588 40 0 KJABMO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000033937369 553979672 /nfs/dbraw/zinc/97/96/72/553979672.db2.gz KRQAUNHBGFAYLJ-CLJLJLNGSA-N 1 1 500.647 4.588 40 0 KJABMO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937370 553979589 /nfs/dbraw/zinc/97/95/89/553979589.db2.gz RKHKSYDNLKOAJM-IAPPQJPRSA-N 1 1 514.674 4.897 40 0 KJABMO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937370 553979586 /nfs/dbraw/zinc/97/95/86/553979586.db2.gz RKHKSYDNLKOAJM-IAPPQJPRSA-N 1 1 514.674 4.897 40 0 KJABMO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937371 553979642 /nfs/dbraw/zinc/97/96/42/553979642.db2.gz RKHKSYDNLKOAJM-IXCJQBJRSA-N 1 1 514.674 4.897 40 0 KJABMO CCC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1cccc(C)c1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000033937371 553979640 /nfs/dbraw/zinc/97/96/40/553979640.db2.gz RKHKSYDNLKOAJM-IXCJQBJRSA-N 1 1 514.674 4.897 40 0 KJABMO Cc1cc(I)c2c(c1)C(=O)C(CN1CCC[C@H](C)C1)(C[N@H+]1CCC[C@H](C)C1)CO2 ZINC000034913427 554029417 /nfs/dbraw/zinc/02/94/17/554029417.db2.gz BNTHIZBZHTVGFG-ROUUACIJSA-N 1 1 510.460 4.625 40 0 KJABMO O=C(Nc1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000035828531 554079113 /nfs/dbraw/zinc/07/91/13/554079113.db2.gz ZCXXUEHMDPRKLK-CJRSTVEYSA-N 1 1 514.379 4.603 40 0 KJABMO O=C(Nc1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000035828531 554079110 /nfs/dbraw/zinc/07/91/10/554079110.db2.gz ZCXXUEHMDPRKLK-CJRSTVEYSA-N 1 1 514.379 4.603 40 0 KJABMO O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000036269777 554211486 /nfs/dbraw/zinc/21/14/86/554211486.db2.gz HLCHESOMJVGDSJ-LOYHVIPDSA-N 1 1 589.184 4.563 40 0 in-vitro KJABMO C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@H](O)[C@@]21C ZINC000036369555 554224242 /nfs/dbraw/zinc/22/42/42/554224242.db2.gz XESODQRWBFMKEB-LAUKHPPBSA-N 1 1 500.683 4.679 40 0 KJABMO COc1ccccc1OCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000036628141 554228208 /nfs/dbraw/zinc/22/82/08/554228208.db2.gz KDJHTZVAHJHQIC-UHFFFAOYSA-N 1 1 519.605 4.824 40 0 KJABMO COc1ccc(OCC(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3)CC2)cc1 ZINC000036628143 554228282 /nfs/dbraw/zinc/22/82/82/554228282.db2.gz MSOIBDCRQQFEEE-UHFFFAOYSA-N 1 1 519.605 4.824 40 0 KJABMO O=C(COc1ccc(F)cc1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000036628146 554228250 /nfs/dbraw/zinc/22/82/50/554228250.db2.gz WWECCQZVGFABIN-UHFFFAOYSA-N 1 1 507.569 4.954 40 0 KJABMO COc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)COc3ccccc3)CC2)c1 ZINC000036628522 554229187 /nfs/dbraw/zinc/22/91/87/554229187.db2.gz GZGFMEAQGFEWMQ-UHFFFAOYSA-N 1 1 519.605 4.824 40 0 KJABMO COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)COc2ccccc2)CC1 ZINC000036628575 554229238 /nfs/dbraw/zinc/22/92/38/554229238.db2.gz QXBVCDVHUIDHPB-UHFFFAOYSA-N 1 1 519.605 4.824 40 0 KJABMO O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039755525 554280194 /nfs/dbraw/zinc/28/01/94/554280194.db2.gz PRXQTNWHSFHDTM-UHFFFAOYSA-N 1 1 508.059 4.895 40 0 KJABMO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccc(C)cc4)CC3)cc2)c(OC)c1 ZINC000039756241 554280258 /nfs/dbraw/zinc/28/02/58/554280258.db2.gz XKJLVZQZJDOQCO-UHFFFAOYSA-N 1 1 523.655 4.664 40 0 KJABMO COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4cccc(C)c4)CC3)cc2)c1 ZINC000039758266 554280244 /nfs/dbraw/zinc/28/02/44/554280244.db2.gz BUDIGRKUMOQPSP-UHFFFAOYSA-N 1 1 523.655 4.664 40 0 KJABMO COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccccc4C)CC3)cc2)c1 ZINC000039762141 554280335 /nfs/dbraw/zinc/28/03/35/554280335.db2.gz AQBXNKDXINHKEX-UHFFFAOYSA-N 1 1 523.655 4.664 40 0 KJABMO COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000039766966 554280668 /nfs/dbraw/zinc/28/06/68/554280668.db2.gz ZOKINCUSUXQXQA-UHFFFAOYSA-N 1 1 524.058 4.513 40 0 KJABMO COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3CC[NH+](Cc4ccc(C)cc4)CC3)cc2)c1 ZINC000039768280 554281017 /nfs/dbraw/zinc/28/10/17/554281017.db2.gz RUBJNMDQKKCFLK-UHFFFAOYSA-N 1 1 523.655 4.664 40 0 KJABMO CCN(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000039986901 554282182 /nfs/dbraw/zinc/28/21/82/554282182.db2.gz ZAMBJQUJNNGNOE-UHFFFAOYSA-N 1 1 527.690 4.784 40 0 KJABMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@@H+]3C[C@H]2C[C@H](OC(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000043773420 554299944 /nfs/dbraw/zinc/29/99/44/554299944.db2.gz SZLZWPPUNLXJEA-FKSHIUJTSA-N 1 1 634.726 4.571 40 0 KJABMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CC[N@H+]3C[C@H]2C[C@H](OC(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC ZINC000043773420 554299940 /nfs/dbraw/zinc/29/99/40/554299940.db2.gz SZLZWPPUNLXJEA-FKSHIUJTSA-N 1 1 634.726 4.571 40 0 KJABMO O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000044791706 554302807 /nfs/dbraw/zinc/30/28/07/554302807.db2.gz HGZHIEZFXGMIKS-UHFFFAOYSA-N 1 1 525.674 4.816 40 0 KJABMO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)cc2)c(OC)c1 ZINC000044845711 554304379 /nfs/dbraw/zinc/30/43/79/554304379.db2.gz FKJCJAIXOHEARQ-HXUWFJFHSA-N 1 1 523.655 4.989 40 0 KJABMO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)cc2)c(OC)c1 ZINC000044845711 554304376 /nfs/dbraw/zinc/30/43/76/554304376.db2.gz FKJCJAIXOHEARQ-HXUWFJFHSA-N 1 1 523.655 4.989 40 0 KJABMO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)cc2)c(OC)c1 ZINC000044845716 554304321 /nfs/dbraw/zinc/30/43/21/554304321.db2.gz FKJCJAIXOHEARQ-FQEVSTJZSA-N 1 1 523.655 4.989 40 0 KJABMO COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)cc2)c(OC)c1 ZINC000044845716 554304319 /nfs/dbraw/zinc/30/43/19/554304319.db2.gz FKJCJAIXOHEARQ-FQEVSTJZSA-N 1 1 523.655 4.989 40 0 KJABMO CSc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c2ccc(C)cc2)cc1 ZINC000044883669 554307651 /nfs/dbraw/zinc/30/76/51/554307651.db2.gz RCMBJBIJJINSLW-UHFFFAOYSA-N 1 1 520.680 4.723 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000044884067 554307607 /nfs/dbraw/zinc/30/76/07/554307607.db2.gz WETAFYDWOOYTFJ-UHFFFAOYSA-N 1 1 523.058 4.963 40 0 KJABMO COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@H+]4CCC[C@@H](C)C4)cc3)cc2)c1 ZINC000044884424 554307772 /nfs/dbraw/zinc/30/77/72/554307772.db2.gz NFVKBNPOFARGQT-HXUWFJFHSA-N 1 1 523.655 4.989 40 0 KJABMO COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCC[C@@H](C)C4)cc3)cc2)c1 ZINC000044884424 554307768 /nfs/dbraw/zinc/30/77/68/554307768.db2.gz NFVKBNPOFARGQT-HXUWFJFHSA-N 1 1 523.655 4.989 40 0 KJABMO COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@H+]4CCC[C@H](C)C4)cc3)cc2)c1 ZINC000044884427 554307820 /nfs/dbraw/zinc/30/78/20/554307820.db2.gz NFVKBNPOFARGQT-FQEVSTJZSA-N 1 1 523.655 4.989 40 0 KJABMO COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@@H+]4CCC[C@H](C)C4)cc3)cc2)c1 ZINC000044884427 554307816 /nfs/dbraw/zinc/30/78/16/554307816.db2.gz NFVKBNPOFARGQT-FQEVSTJZSA-N 1 1 523.655 4.989 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000044900718 554308888 /nfs/dbraw/zinc/30/88/88/554308888.db2.gz TXSNKDYSCCBXCB-UHFFFAOYSA-N 1 1 523.058 4.963 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 ZINC000044901054 554308712 /nfs/dbraw/zinc/30/87/12/554308712.db2.gz GQLLSIPTKMBLDG-UHFFFAOYSA-N 1 1 509.031 4.730 40 0 KJABMO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@H+]4Cc4ccc(NC(C)=O)cc4)n3)cn2)cc1 ZINC000049155271 554323124 /nfs/dbraw/zinc/32/31/24/554323124.db2.gz HWVGQKUGDPFECB-DEOSSOPVSA-N 1 1 512.570 4.688 40 0 biogenic,in-vitro KJABMO COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCC[N@@H+]4Cc4ccc(NC(C)=O)cc4)n3)cn2)cc1 ZINC000049155271 554323121 /nfs/dbraw/zinc/32/31/21/554323121.db2.gz HWVGQKUGDPFECB-DEOSSOPVSA-N 1 1 512.570 4.688 40 0 biogenic,in-vitro KJABMO COC(=O)[C@@H]1[C@@H](OC)[C@H](OC(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)C[C@@H]2C[N@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@H]3C[C@@H]21 ZINC000053683148 554348824 /nfs/dbraw/zinc/34/88/24/554348824.db2.gz SZLZWPPUNLXJEA-GHQYIGAKSA-N 1 1 634.726 4.571 40 0 world KJABMO COC(=O)[C@@H]1[C@@H](OC)[C@H](OC(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)C[C@@H]2C[N@@H+]3CCc4c5ccc(OC)cc5[nH]c4[C@H]3C[C@@H]21 ZINC000053683148 554348821 /nfs/dbraw/zinc/34/88/21/554348821.db2.gz SZLZWPPUNLXJEA-GHQYIGAKSA-N 1 1 634.726 4.571 40 0 world KJABMO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccc2nsnc2c1 ZINC000057313969 554354351 /nfs/dbraw/zinc/35/43/51/554354351.db2.gz ROPKSXJSPVUMEP-UHFFFAOYSA-N 1 1 523.087 4.794 40 0 KJABMO C[C@H]1C[N@@H+](Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1C(=O)OC(C)(C)C ZINC000059130599 1067209799 /nfs/dbraw/zinc/20/97/99/1067209799.db2.gz MUJXXXHANUHUQH-QFIPXVFZSA-N 1 1 524.681 4.913 40 0 KJABMO C[C@H]1C[N@H+](Cc2ccc(CC(=O)N3CCC(Nc4cccc(F)c4)CC3)cc2)CCN1C(=O)OC(C)(C)C ZINC000059130599 1067209789 /nfs/dbraw/zinc/20/97/89/1067209789.db2.gz MUJXXXHANUHUQH-QFIPXVFZSA-N 1 1 524.681 4.913 40 0 KJABMO CCOC(=O)[C@H]([NH3+])Cc1ccc(-c2cc(O[C@H](c3ccc(Cl)cc3-n3ccc(C)n3)C(F)(F)F)nc(N)n2)cc1 ZINC000059223940 1067209973 /nfs/dbraw/zinc/20/99/73/1067209973.db2.gz MDSQOJYHHZBZKA-HYBUGGRVSA-N 1 1 574.991 4.989 40 0 KJABMO COc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1OC ZINC000059331778 554390971 /nfs/dbraw/zinc/39/09/71/554390971.db2.gz YXNXDGHABSVSIE-UHFFFAOYSA-N 1 1 525.074 4.806 40 0 KJABMO COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c1 ZINC000059331782 554390977 /nfs/dbraw/zinc/39/09/77/554390977.db2.gz PMARKVRBVODTQZ-UHFFFAOYSA-N 1 1 525.074 4.806 40 0 KJABMO O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccc2c(c1)OCCO2 ZINC000059331790 554391405 /nfs/dbraw/zinc/39/14/05/554391405.db2.gz KPKRLDIBJPVMKQ-UHFFFAOYSA-N 1 1 523.058 4.560 40 0 KJABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cc(Br)cc(C)c3OC)cc2Cl)CC1 ZINC000059331817 554391560 /nfs/dbraw/zinc/39/15/60/554391560.db2.gz RXVXUSIRZMXGDW-UHFFFAOYSA-N 1 1 525.900 4.688 40 0 KJABMO COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000059331960 554392626 /nfs/dbraw/zinc/39/26/26/554392626.db2.gz CGQYSVAMXJQFRB-UHFFFAOYSA-N 1 1 517.649 4.878 40 0 KJABMO COc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cc1Cl ZINC000059559083 554407102 /nfs/dbraw/zinc/40/71/02/554407102.db2.gz MICHAVIATSXGST-UHFFFAOYSA-N 1 1 513.038 4.937 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000059852797 554452630 /nfs/dbraw/zinc/45/26/30/554452630.db2.gz IOKYAUQHOMPCHL-UHFFFAOYSA-N 1 1 529.449 4.999 40 0 KJABMO COc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000059852952 554453280 /nfs/dbraw/zinc/45/32/80/554453280.db2.gz VVAKLWMOXFOZBC-UHFFFAOYSA-N 1 1 539.057 4.663 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 ZINC000059853529 554454364 /nfs/dbraw/zinc/45/43/64/554454364.db2.gz MERMBQYXYKWBNP-UHFFFAOYSA-N 1 1 529.449 4.999 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059923288 554473110 /nfs/dbraw/zinc/47/31/10/554473110.db2.gz DFCFQNNVOGZPIB-UHFFFAOYSA-N 1 1 553.482 4.763 40 0 KJABMO CS(=O)(=O)N(Cc1ccccc1)c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000059928238 554476122 /nfs/dbraw/zinc/47/61/22/554476122.db2.gz KPQOKWHNWSKYDP-UHFFFAOYSA-N 1 1 569.727 4.965 40 0 KJABMO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059929210 554477487 /nfs/dbraw/zinc/47/74/87/554477487.db2.gz DKGBZXVCFDYOKR-PMERELPUSA-N 1 1 539.701 4.510 40 0 KJABMO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059929218 554477585 /nfs/dbraw/zinc/47/75/85/554477585.db2.gz DKGBZXVCFDYOKR-SSEXGKCCSA-N 1 1 539.701 4.510 40 0 KJABMO COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000059929374 554477937 /nfs/dbraw/zinc/47/79/37/554477937.db2.gz JLKMJMQFSPUKRB-PMERELPUSA-N 1 1 599.753 4.527 40 0 KJABMO COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000059929378 554477955 /nfs/dbraw/zinc/47/79/55/554477955.db2.gz JLKMJMQFSPUKRB-SSEXGKCCSA-N 1 1 599.753 4.527 40 0 KJABMO COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059929631 554478283 /nfs/dbraw/zinc/47/82/83/554478283.db2.gz RDIACHGTSVMTIC-PMERELPUSA-N 1 1 583.754 4.827 40 0 KJABMO COc1ccc(C)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059929635 554478306 /nfs/dbraw/zinc/47/83/06/554478306.db2.gz RDIACHGTSVMTIC-SSEXGKCCSA-N 1 1 583.754 4.827 40 0 KJABMO O=C([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059929684 554478652 /nfs/dbraw/zinc/47/86/52/554478652.db2.gz ZUJQHCUJEATDLA-PMERELPUSA-N 1 1 557.691 4.649 40 0 KJABMO O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059929696 554478661 /nfs/dbraw/zinc/47/86/61/554478661.db2.gz ZUJQHCUJEATDLA-SSEXGKCCSA-N 1 1 557.691 4.649 40 0 KJABMO COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000059929718 554478634 /nfs/dbraw/zinc/47/86/34/554478634.db2.gz NSCSHQMKIUECOQ-HKBQPEDESA-N 1 1 583.754 4.827 40 0 KJABMO COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000059929724 554478604 /nfs/dbraw/zinc/47/86/04/554478604.db2.gz NSCSHQMKIUECOQ-WJOKGBTCSA-N 1 1 583.754 4.827 40 0 KJABMO CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000059929986 554479083 /nfs/dbraw/zinc/47/90/83/554479083.db2.gz UGESTARKNQVDMD-YTTGMZPUSA-N 1 1 583.754 4.909 40 0 KJABMO CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000059929992 554479089 /nfs/dbraw/zinc/47/90/89/554479089.db2.gz UGESTARKNQVDMD-JGCGQSQUSA-N 1 1 583.754 4.909 40 0 KJABMO CCN(CC)S(=O)(=O)c1cc(Cl)ccc1OCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059930333 554479946 /nfs/dbraw/zinc/47/99/46/554479946.db2.gz GTUQFGFWYSZCBE-UHFFFAOYSA-N 1 1 556.128 4.683 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1 ZINC000060015970 554485974 /nfs/dbraw/zinc/48/59/74/554485974.db2.gz PKMNFFQTCQILPO-UHFFFAOYSA-N 1 1 528.556 4.711 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000060015999 554486226 /nfs/dbraw/zinc/48/62/26/554486226.db2.gz RGIWIEXWUZDPDO-UHFFFAOYSA-N 1 1 529.449 4.999 40 0 KJABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000060016181 554486661 /nfs/dbraw/zinc/48/66/61/554486661.db2.gz DHIMECZQAQZGIS-UHFFFAOYSA-N 1 1 529.449 4.999 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1 ZINC000060016211 554486950 /nfs/dbraw/zinc/48/69/50/554486950.db2.gz AUEMWMCRARJILT-UHFFFAOYSA-N 1 1 529.449 4.999 40 0 KJABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CN(c2cccc(Br)c2)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000060016349 554487411 /nfs/dbraw/zinc/48/74/11/554487411.db2.gz HPVYMDQRCFYYNE-UHFFFAOYSA-N 1 1 553.482 4.763 40 0 KJABMO COc1ccc(Cl)cc1N(CC(=O)NCc1ccccc1-n1cc[nH+]c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000060016599 554488113 /nfs/dbraw/zinc/48/81/13/554488113.db2.gz PKYMPIUNEUEWGM-UHFFFAOYSA-N 1 1 539.057 4.663 40 0 KJABMO COc1ccc(Cl)cc1N(CC(=O)NCc1ccc(-n2cc[nH+]c2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000060016603 554488122 /nfs/dbraw/zinc/48/81/22/554488122.db2.gz TUMURSTZCLEFDE-UHFFFAOYSA-N 1 1 539.057 4.663 40 0 KJABMO COc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1Cl ZINC000060016723 554488275 /nfs/dbraw/zinc/48/82/75/554488275.db2.gz IRDBWYQOZCSQAA-UHFFFAOYSA-N 1 1 539.057 4.663 40 0 KJABMO CCOc1ccc(N(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000060028125 554490276 /nfs/dbraw/zinc/49/02/76/554490276.db2.gz ISAOVGPMRWKUDL-UHFFFAOYSA-N 1 1 539.057 4.745 40 0 KJABMO CCOc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000060028207 554491062 /nfs/dbraw/zinc/49/10/62/554491062.db2.gz WISJZTNZNXRHHH-UHFFFAOYSA-N 1 1 550.706 4.813 40 0 KJABMO O=C(C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000060028645 554494294 /nfs/dbraw/zinc/49/42/94/554494294.db2.gz SSVHMWCYPRJPEK-UHFFFAOYSA-N 1 1 596.591 4.925 40 0 KJABMO CCOc1ccc(N(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000060060544 554499758 /nfs/dbraw/zinc/49/97/58/554499758.db2.gz NRBMLWFBNSCQMA-UHFFFAOYSA-N 1 1 539.057 4.745 40 0 KJABMO CCOc1ccccc1C(=O)[C@H]1[C@@H]2CCC[N@H+]2[C@]2(c3ccc(C)c(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000061954445 554505879 /nfs/dbraw/zinc/50/58/79/554505879.db2.gz QEBRGKUXJSEWSI-MWKYWARRSA-N 1 1 521.617 4.717 40 0 KJABMO CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCC[N@H+]2[C@]2(c3ccc(C)c(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000061954447 554505725 /nfs/dbraw/zinc/50/57/25/554505725.db2.gz QEBRGKUXJSEWSI-ZUBGVVFXSA-N 1 1 521.617 4.717 40 0 KJABMO CCOc1ccccc1C(=O)[C@H]1[C@H]2CCC[N@H+]2[C@]2(c3ccc(C)c(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000061954450 554505823 /nfs/dbraw/zinc/50/58/23/554505823.db2.gz QEBRGKUXJSEWSI-MXOGAJIBSA-N 1 1 521.617 4.717 40 0 KJABMO CCOc1ccccc1C(=O)[C@H]1[C@@H]2CCC[N@H+]2[C@]2(c3cc(C)cc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000061954556 554505780 /nfs/dbraw/zinc/50/57/80/554505780.db2.gz SFJVDJKWVJXRMO-MWKYWARRSA-N 1 1 521.617 4.717 40 0 KJABMO CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCC[N@H+]2[C@]2(c3cc(C)cc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000061954559 554505938 /nfs/dbraw/zinc/50/59/38/554505938.db2.gz SFJVDJKWVJXRMO-ZUBGVVFXSA-N 1 1 521.617 4.717 40 0 KJABMO CCOc1ccccc1C(=O)[C@H]1[C@H]2CCC[N@H+]2[C@]2(c3cc(C)cc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000061954562 554505994 /nfs/dbraw/zinc/50/59/94/554505994.db2.gz SFJVDJKWVJXRMO-MXOGAJIBSA-N 1 1 521.617 4.717 40 0 KJABMO O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000067870927 560050472 /nfs/dbraw/zinc/05/04/72/560050472.db2.gz BMSNXNJAGWGVTH-WRALFONMSA-N 1 1 582.589 4.622 40 0 biogenic,in-vitro KJABMO CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C[C@H]4[C@@H]5C[N@H+]6C[C@H](C)CC[C@H]6[C@H](C)[C@H]5CC[C@@]4(O)[C@H]3C[C@H](OC(C)=O)[C@H]2C1 ZINC000070708006 553631747 /nfs/dbraw/zinc/63/17/47/553631747.db2.gz HXCNNBUQYOTILV-RYTISLCNSA-N 1 1 515.735 4.820 40 0 biogenic KJABMO CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3C[C@H]4[C@H]5C[N@H+]6C[C@H](C)CC[C@H]6[C@H](C)[C@H]5CC[C@@]4(O)[C@H]3C[C@H](OC(C)=O)[C@H]2C1 ZINC000070708008 553631757 /nfs/dbraw/zinc/63/17/57/553631757.db2.gz HXCNNBUQYOTILV-ZFHVRBSISA-N 1 1 515.735 4.820 40 0 biogenic KJABMO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](CSc1ccccc1)NC(=O)OC(C)(C)C ZINC000072130497 553642017 /nfs/dbraw/zinc/64/20/17/553642017.db2.gz IAYMVYNHFPZOOB-PZNJWVMQSA-N 1 1 533.779 4.828 40 0 in-vitro KJABMO C[C@H](CCc1ccccc1)[NH2+][C@@H](C)[C@H](O)c1cc(I)c(O)c(I)c1 ZINC000072266816 553646576 /nfs/dbraw/zinc/64/65/76/553646576.db2.gz RFIXURDMUINBMD-VBHSOAQHSA-N 1 1 551.206 4.634 40 0 in-man KJABMO C[C@H](CCc1ccccc1)[NH2+][C@H](C)[C@H](O)c1cc(I)c(O)c(I)c1 ZINC000072266818 553646467 /nfs/dbraw/zinc/64/64/67/553646467.db2.gz RFIXURDMUINBMD-VFVRVIDISA-N 1 1 551.206 4.634 40 0 in-man KJABMO COc1cc(CNc2nc([C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3c3ccc(C)o3)cc(=O)[nH]2)cc(OC)c1 ZINC000072341242 553650933 /nfs/dbraw/zinc/65/09/33/553650933.db2.gz PIFBDPQEPOMQIM-LOSJGSFVSA-N 1 1 500.599 4.684 40 0 KJABMO COc1cc(CNc2nc([C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3c3ccc(C)o3)cc(=O)[nH]2)cc(OC)c1 ZINC000072341243 553650959 /nfs/dbraw/zinc/65/09/59/553650959.db2.gz PIFBDPQEPOMQIM-DQEYMECFSA-N 1 1 500.599 4.684 40 0 KJABMO Cc1ccc(NC(=O)Nc2nnc(Sc3ncnc4cc(OCCC[NH+]5CCOCC5)ccc43)s2)cc1 ZINC000084757130 553677958 /nfs/dbraw/zinc/67/79/58/553677958.db2.gz LKXFSTAQMOENSC-UHFFFAOYSA-N 1 1 537.671 4.686 40 0 KJABMO COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[N@H+](C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@H]1C ZINC000090515146 562753666 /nfs/dbraw/zinc/75/36/66/562753666.db2.gz CNPVJJQCETWNEU-DVECYGJZSA-N 1 1 533.639 4.501 40 0 KJABMO COC[C@H](c1ccc(C(F)(F)F)cc1)N1CC[N@H+](C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@H]1C ZINC000095598674 562777459 /nfs/dbraw/zinc/77/74/59/562777459.db2.gz CNPVJJQCETWNEU-NTKDMRAZSA-N 1 1 533.639 4.501 40 0 KJABMO O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097986870 554026395 /nfs/dbraw/zinc/02/63/95/554026395.db2.gz LDNWSRWOGCQTHN-UHFFFAOYSA-N 1 1 582.708 4.959 40 0 KJABMO CC(=O)n1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@]3(C(=O)OCc4ccccc4)CCC[N@@H+]23)c2ccccc21 ZINC000098007963 554065106 /nfs/dbraw/zinc/06/51/06/554065106.db2.gz NFUKRLRCVZFCOA-UUQNIDNHSA-N 1 1 547.611 4.740 40 0 KJABMO CC(=O)n1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@]3(C(=O)OCc4ccccc4)CCC[N@H+]23)c2ccccc21 ZINC000098007963 554065104 /nfs/dbraw/zinc/06/51/04/554065104.db2.gz NFUKRLRCVZFCOA-UUQNIDNHSA-N 1 1 547.611 4.740 40 0 KJABMO O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+]1[C@@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000098009068 554069178 /nfs/dbraw/zinc/06/91/78/554069178.db2.gz XPHWSLMTNITVDN-ANARSLNQSA-N 1 1 531.534 4.731 40 0 KJABMO O=C1[C@@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+]1[C@]21c2ccccc2N(Cc2ccccc2)C1=O ZINC000098009069 554069121 /nfs/dbraw/zinc/06/91/21/554069121.db2.gz XPHWSLMTNITVDN-GBXYDCMPSA-N 1 1 531.534 4.731 40 0 KJABMO O=C1C[C@@H](NCc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(N2C(=O)C[C@@H]([NH2+]Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000098045891 554134431 /nfs/dbraw/zinc/13/44/31/554134431.db2.gz PKHUESKAJFUHFK-DNQXCXABSA-N 1 1 618.534 4.568 40 0 KJABMO Cc1c(C(=O)OC(C)C)c(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)sc1[C@@H]([NH3+])O ZINC000098050218 554173323 /nfs/dbraw/zinc/17/33/23/554173323.db2.gz DRQURPMOUMKJJM-KRWDZBQOSA-N 1 1 546.618 4.839 40 0 KJABMO Cc1c(C(=O)OC(C)C)c(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)sc1[C@H]([NH3+])O ZINC000098050219 554173311 /nfs/dbraw/zinc/17/33/11/554173311.db2.gz DRQURPMOUMKJJM-QGZVFWFLSA-N 1 1 546.618 4.839 40 0 KJABMO COc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1S(=O)(=O)N1CCCCCC1 ZINC000100065199 554199516 /nfs/dbraw/zinc/19/95/16/554199516.db2.gz SVUNKIDTYNQTCH-UHFFFAOYSA-N 1 1 547.721 4.807 40 0 KJABMO COc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1S(=O)(=O)NCCc1ccccc1 ZINC000100065266 554199461 /nfs/dbraw/zinc/19/94/61/554199461.db2.gz APYWJCVRLBCZCD-UHFFFAOYSA-N 1 1 569.727 4.764 40 0 KJABMO CCCNS(=O)(=O)c1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)ccc1N1CCCC1 ZINC000100066838 554200133 /nfs/dbraw/zinc/20/01/33/554200133.db2.gz NNNDNTZIROHKPK-UHFFFAOYSA-N 1 1 546.737 4.523 40 0 KJABMO CS(=O)(=O)N(Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)c1cccc(Cl)c1Cl ZINC000100090587 554210756 /nfs/dbraw/zinc/21/07/56/554210756.db2.gz CWAYQCYHZXTYNX-UHFFFAOYSA-N 1 1 532.493 4.918 40 0 KJABMO CCN(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000100108928 554221222 /nfs/dbraw/zinc/22/12/22/554221222.db2.gz FBWXHXAHFWOXEZ-UHFFFAOYSA-N 1 1 546.520 4.938 40 0 KJABMO CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000100143852 554229713 /nfs/dbraw/zinc/22/97/13/554229713.db2.gz JBLZIXWPTFXYFW-UHFFFAOYSA-N 1 1 556.128 4.683 40 0 KJABMO O=C(CN(CCc1ccccc1)S(=O)(=O)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000100147247 554230645 /nfs/dbraw/zinc/23/06/45/554230645.db2.gz NQHIJDRHSWEHHO-UHFFFAOYSA-N 1 1 553.728 4.854 40 0 KJABMO O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000100147265 554230741 /nfs/dbraw/zinc/23/07/41/554230741.db2.gz RYDAOGPWRYDRSY-UHFFFAOYSA-N 1 1 539.701 4.811 40 0 KJABMO O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000100148106 554230902 /nfs/dbraw/zinc/23/09/02/554230902.db2.gz XGKHGZDMTZRGGJ-UHFFFAOYSA-N 1 1 547.721 4.610 40 0 KJABMO CN(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000100148128 554230969 /nfs/dbraw/zinc/23/09/69/554230969.db2.gz CCRQQERKNGHADV-UHFFFAOYSA-N 1 1 532.493 4.548 40 0 KJABMO O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000100152771 554232006 /nfs/dbraw/zinc/23/20/06/554232006.db2.gz SPPVVITXFIOAPL-UHFFFAOYSA-N 1 1 541.673 4.800 40 0 KJABMO CC(=O)n1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@]3(C(=O)OCc4ccccc4)CCC[N@@H+]23)c2ccccc21 ZINC000100195554 554245871 /nfs/dbraw/zinc/24/58/71/554245871.db2.gz NFUKRLRCVZFCOA-UHLQNUQBSA-N 1 1 547.611 4.740 40 0 KJABMO CC(=O)n1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@]3(C(=O)OCc4ccccc4)CCC[N@H+]23)c2ccccc21 ZINC000100195554 554245869 /nfs/dbraw/zinc/24/58/69/554245869.db2.gz NFUKRLRCVZFCOA-UHLQNUQBSA-N 1 1 547.611 4.740 40 0 KJABMO CC(=O)n1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@]3(C(=O)OCc4ccccc4)CCC[N@@H+]23)c2ccccc21 ZINC000100195560 554245852 /nfs/dbraw/zinc/24/58/52/554245852.db2.gz NFUKRLRCVZFCOA-AGKKXDHOSA-N 1 1 547.611 4.740 40 0 KJABMO CC(=O)n1cc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@]3(C(=O)OCc4ccccc4)CCC[N@H+]23)c2ccccc21 ZINC000100195560 554245849 /nfs/dbraw/zinc/24/58/49/554245849.db2.gz NFUKRLRCVZFCOA-AGKKXDHOSA-N 1 1 547.611 4.740 40 0 KJABMO O=C1[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000100220075 554251471 /nfs/dbraw/zinc/25/14/71/554251471.db2.gz XPHWSLMTNITVDN-IKOOFXLXSA-N 1 1 531.534 4.731 40 0 KJABMO O=C1[C@@H]2[C@H]3CCC[N@H+]3[C@]3(c4ccccc4N(Cc4ccccc4)C3=O)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000100220079 554251499 /nfs/dbraw/zinc/25/14/99/554251499.db2.gz XPHWSLMTNITVDN-DOUCHOMGSA-N 1 1 531.534 4.731 40 0 KJABMO C[C@@H]([C@H](O)c1ccccc1)[N@@H+](C)CC(=O)Nc1c(Br)cc(Br)cc1Br ZINC000100242554 554261136 /nfs/dbraw/zinc/26/11/36/554261136.db2.gz FSBHNRSTLSVTHH-VOJFVSQTSA-N 1 1 535.074 4.967 40 0 KJABMO C[C@@H]([C@H](O)c1ccccc1)[N@H+](C)CC(=O)Nc1c(Br)cc(Br)cc1Br ZINC000100242554 554261132 /nfs/dbraw/zinc/26/11/32/554261132.db2.gz FSBHNRSTLSVTHH-VOJFVSQTSA-N 1 1 535.074 4.967 40 0 KJABMO C[C@H]([C@H](O)c1ccccc1)[N@@H+](C)CC(=O)Nc1c(Br)cc(Br)cc1Br ZINC000100242557 554261086 /nfs/dbraw/zinc/26/10/86/554261086.db2.gz FSBHNRSTLSVTHH-ZMZPIMSZSA-N 1 1 535.074 4.967 40 0 KJABMO C[C@H]([C@H](O)c1ccccc1)[N@H+](C)CC(=O)Nc1c(Br)cc(Br)cc1Br ZINC000100242557 554261084 /nfs/dbraw/zinc/26/10/84/554261084.db2.gz FSBHNRSTLSVTHH-ZMZPIMSZSA-N 1 1 535.074 4.967 40 0 KJABMO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)CC(=O)Nc1c(Br)cc(Br)cc1Br ZINC000100242561 554261111 /nfs/dbraw/zinc/26/11/11/554261111.db2.gz FSBHNRSTLSVTHH-BBATYDOGSA-N 1 1 535.074 4.967 40 0 KJABMO C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)CC(=O)Nc1c(Br)cc(Br)cc1Br ZINC000100242561 554261107 /nfs/dbraw/zinc/26/11/07/554261107.db2.gz FSBHNRSTLSVTHH-BBATYDOGSA-N 1 1 535.074 4.967 40 0 KJABMO C[C@H]([C@@H](O)c1ccccc1)[N@@H+](C)CC(=O)Nc1c(Br)cc(Br)cc1Br ZINC000100242564 554261164 /nfs/dbraw/zinc/26/11/64/554261164.db2.gz FSBHNRSTLSVTHH-ADLMAVQZSA-N 1 1 535.074 4.967 40 0 KJABMO C[C@H]([C@@H](O)c1ccccc1)[N@H+](C)CC(=O)Nc1c(Br)cc(Br)cc1Br ZINC000100242564 554261161 /nfs/dbraw/zinc/26/11/61/554261161.db2.gz FSBHNRSTLSVTHH-ADLMAVQZSA-N 1 1 535.074 4.967 40 0 KJABMO O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000100274337 554271058 /nfs/dbraw/zinc/27/10/58/554271058.db2.gz SZMUAHCPNRSJBP-UHFFFAOYSA-N 1 1 532.493 4.529 40 0 KJABMO Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)CC2)c(C)c1 ZINC000100352779 554331132 /nfs/dbraw/zinc/33/11/32/554331132.db2.gz ICYSPGGPMOEERN-UHFFFAOYSA-N 1 1 545.749 4.946 40 0 KJABMO CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000100370876 554356478 /nfs/dbraw/zinc/35/64/78/554356478.db2.gz PICOCUIAFGKIMH-SANMLTNESA-N 1 1 546.672 4.875 40 0 KJABMO CC[C@H](c1nnnn1Cc1ccc(OC)cc1)[N@@H+](Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCCC1 ZINC000100370879 554356373 /nfs/dbraw/zinc/35/63/73/554356373.db2.gz PICOCUIAFGKIMH-AREMUKBSSA-N 1 1 546.672 4.875 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371195 554356605 /nfs/dbraw/zinc/35/66/05/554356605.db2.gz RUJMXIKUWJEWTL-BDYUSTAISA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371195 554356603 /nfs/dbraw/zinc/35/66/03/554356603.db2.gz RUJMXIKUWJEWTL-BDYUSTAISA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371198 554356408 /nfs/dbraw/zinc/35/64/08/554356408.db2.gz RUJMXIKUWJEWTL-AHKZPQOWSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371198 554356403 /nfs/dbraw/zinc/35/64/03/554356403.db2.gz RUJMXIKUWJEWTL-AHKZPQOWSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371203 554356841 /nfs/dbraw/zinc/35/68/41/554356841.db2.gz RUJMXIKUWJEWTL-VPUSJEBWSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371203 554356840 /nfs/dbraw/zinc/35/68/40/554356840.db2.gz RUJMXIKUWJEWTL-VPUSJEBWSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371207 554356834 /nfs/dbraw/zinc/35/68/34/554356834.db2.gz RUJMXIKUWJEWTL-XNMGPUDCSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)c(C)cc2[nH]c1=O ZINC000100371207 554356833 /nfs/dbraw/zinc/35/68/33/554356833.db2.gz RUJMXIKUWJEWTL-XNMGPUDCSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371691 554357432 /nfs/dbraw/zinc/35/74/32/554357432.db2.gz HQZNXLFUDLPSHX-IGKIAQTJSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371691 554357430 /nfs/dbraw/zinc/35/74/30/554357430.db2.gz HQZNXLFUDLPSHX-IGKIAQTJSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371695 554357320 /nfs/dbraw/zinc/35/73/20/554357320.db2.gz HQZNXLFUDLPSHX-RPLLCQBOSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371695 554357318 /nfs/dbraw/zinc/35/73/18/554357318.db2.gz HQZNXLFUDLPSHX-RPLLCQBOSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371699 554357333 /nfs/dbraw/zinc/35/73/33/554357333.db2.gz HQZNXLFUDLPSHX-SQHAQQRYSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371699 554357331 /nfs/dbraw/zinc/35/73/31/554357331.db2.gz HQZNXLFUDLPSHX-SQHAQQRYSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371702 554357405 /nfs/dbraw/zinc/35/74/05/554357405.db2.gz HQZNXLFUDLPSHX-SHQCIBLASA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)cc(C)cc2[nH]c1=O ZINC000100371702 554357401 /nfs/dbraw/zinc/35/74/01/554357401.db2.gz HQZNXLFUDLPSHX-SHQCIBLASA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000100372393 554357907 /nfs/dbraw/zinc/35/79/07/554357907.db2.gz ZLODHJLLMFQGME-AHWVRZQESA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000100372393 554357905 /nfs/dbraw/zinc/35/79/05/554357905.db2.gz ZLODHJLLMFQGME-AHWVRZQESA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000100372396 554357780 /nfs/dbraw/zinc/35/77/80/554357780.db2.gz ZLODHJLLMFQGME-AZGAKELHSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000100372396 554357776 /nfs/dbraw/zinc/35/77/76/554357776.db2.gz ZLODHJLLMFQGME-AZGAKELHSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000100372401 554357868 /nfs/dbraw/zinc/35/78/68/554357868.db2.gz ZLODHJLLMFQGME-RSXGOPAZSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000100372401 554357866 /nfs/dbraw/zinc/35/78/66/554357866.db2.gz ZLODHJLLMFQGME-RSXGOPAZSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000100372406 554357764 /nfs/dbraw/zinc/35/77/64/554357764.db2.gz ZLODHJLLMFQGME-AOYPEHQESA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000100372406 554357760 /nfs/dbraw/zinc/35/77/60/554357760.db2.gz ZLODHJLLMFQGME-AOYPEHQESA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100377389 554360601 /nfs/dbraw/zinc/36/06/01/554360601.db2.gz IXSARQQLUNNFIU-UIOOFZCWSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100377389 554360600 /nfs/dbraw/zinc/36/06/00/554360600.db2.gz IXSARQQLUNNFIU-UIOOFZCWSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100377397 554360707 /nfs/dbraw/zinc/36/07/07/554360707.db2.gz IXSARQQLUNNFIU-IZZNHLLZSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@H](c1nnnn1C[C@@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100377397 554360704 /nfs/dbraw/zinc/36/07/04/554360704.db2.gz IXSARQQLUNNFIU-IZZNHLLZSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100377401 554360652 /nfs/dbraw/zinc/36/06/52/554360652.db2.gz IXSARQQLUNNFIU-FTJBHMTQSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100377401 554360649 /nfs/dbraw/zinc/36/06/49/554360649.db2.gz IXSARQQLUNNFIU-FTJBHMTQSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100377409 554360592 /nfs/dbraw/zinc/36/05/92/554360592.db2.gz IXSARQQLUNNFIU-CLJLJLNGSA-N 1 1 560.699 4.524 40 0 KJABMO CC[C@H](c1nnnn1C[C@H]1CCCO1)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000100377409 554360591 /nfs/dbraw/zinc/36/05/91/554360591.db2.gz IXSARQQLUNNFIU-CLJLJLNGSA-N 1 1 560.699 4.524 40 0 KJABMO CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3cc(I)ccc3Cl)cc2Cl)CC1 ZINC000100381608 554363541 /nfs/dbraw/zinc/36/35/41/554363541.db2.gz PDXFMLDSEXQKRS-UHFFFAOYSA-N 1 1 563.292 4.867 40 0 KJABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100388129 554365489 /nfs/dbraw/zinc/36/54/89/554365489.db2.gz XPTKRQDAQBDANL-MUUNZHRXSA-N 1 1 576.698 4.848 40 0 KJABMO CCC(C)(C)n1nnnc1[C@@H](C(C)C)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100388129 554365488 /nfs/dbraw/zinc/36/54/88/554365488.db2.gz XPTKRQDAQBDANL-MUUNZHRXSA-N 1 1 576.698 4.848 40 0 KJABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100388134 554365505 /nfs/dbraw/zinc/36/55/05/554365505.db2.gz XPTKRQDAQBDANL-NDEPHWFRSA-N 1 1 576.698 4.848 40 0 KJABMO CCC(C)(C)n1nnnc1[C@H](C(C)C)[N@H+](CCc1ccc(OC)c(OC)c1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000100388134 554365504 /nfs/dbraw/zinc/36/55/04/554365504.db2.gz XPTKRQDAQBDANL-NDEPHWFRSA-N 1 1 576.698 4.848 40 0 KJABMO COc1ccc(CC[N@@H+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)[C@H](c2nnnn2Cc2ccccc2)C(C)C)cc1OC ZINC000100388140 554365474 /nfs/dbraw/zinc/36/54/74/554365474.db2.gz YARDWRPQORKMRK-HKBQPEDESA-N 1 1 596.688 4.751 40 0 KJABMO COc1ccc(CC[N@H+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)[C@H](c2nnnn2Cc2ccccc2)C(C)C)cc1OC ZINC000100388140 554365472 /nfs/dbraw/zinc/36/54/72/554365472.db2.gz YARDWRPQORKMRK-HKBQPEDESA-N 1 1 596.688 4.751 40 0 KJABMO COc1ccc(CC[N@@H+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)[C@@H](c2nnnn2Cc2ccccc2)C(C)C)cc1OC ZINC000100388145 554365510 /nfs/dbraw/zinc/36/55/10/554365510.db2.gz YARDWRPQORKMRK-WJOKGBTCSA-N 1 1 596.688 4.751 40 0 KJABMO COc1ccc(CC[N@H+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)[C@@H](c2nnnn2Cc2ccccc2)C(C)C)cc1OC ZINC000100388145 554365509 /nfs/dbraw/zinc/36/55/09/554365509.db2.gz YARDWRPQORKMRK-WJOKGBTCSA-N 1 1 596.688 4.751 40 0 KJABMO COc1ccc(CC[N@@H+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)[C@H](c2nnnn2Cc2ccc(F)cc2)C(C)C)cc1OC ZINC000100388156 554365513 /nfs/dbraw/zinc/36/55/13/554365513.db2.gz GXCSMRXDBATLER-HKBQPEDESA-N 1 1 614.678 4.890 40 0 KJABMO COc1ccc(CC[N@H+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)[C@H](c2nnnn2Cc2ccc(F)cc2)C(C)C)cc1OC ZINC000100388156 554365512 /nfs/dbraw/zinc/36/55/12/554365512.db2.gz GXCSMRXDBATLER-HKBQPEDESA-N 1 1 614.678 4.890 40 0 KJABMO COc1ccc(CC[N@@H+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)[C@@H](c2nnnn2Cc2ccc(F)cc2)C(C)C)cc1OC ZINC000100388160 554365517 /nfs/dbraw/zinc/36/55/17/554365517.db2.gz GXCSMRXDBATLER-WJOKGBTCSA-N 1 1 614.678 4.890 40 0 KJABMO COc1ccc(CC[N@H+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)[C@@H](c2nnnn2Cc2ccc(F)cc2)C(C)C)cc1OC ZINC000100388160 554365516 /nfs/dbraw/zinc/36/55/16/554365516.db2.gz GXCSMRXDBATLER-WJOKGBTCSA-N 1 1 614.678 4.890 40 0 KJABMO O=C(Cc1ccc(Cl)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCN(C(=O)Cc2ccc(Cl)cc2)C1=O ZINC000100491725 554403032 /nfs/dbraw/zinc/40/30/32/554403032.db2.gz HLFQBIFDXCWRSO-VWLOTQADSA-N 1 1 509.433 4.835 40 0 KJABMO O=C(Cc1ccc(Cl)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCN(C(=O)Cc2ccc(Cl)cc2)C1=O ZINC000100491726 554403008 /nfs/dbraw/zinc/40/30/08/554403008.db2.gz HLFQBIFDXCWRSO-RUZDIDTESA-N 1 1 509.433 4.835 40 0 KJABMO COc1ccc(C(=O)O[C@H]2C[C@H]3CC[C@@H](C2)N3CC[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](OC(=O)c2ccc(OC)c(OC)c2)C3)cc1OC ZINC000100763572 554469161 /nfs/dbraw/zinc/46/91/61/554469161.db2.gz KOCZJZLYLZKBJT-PLGSKLNOSA-N 1 1 608.732 4.726 40 0 biogenic KJABMO O=C(CCc1nnc2n1c1ccccc1c(=O)n2Cc1ccc(Cl)cc1)NCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000101051746 554568627 /nfs/dbraw/zinc/56/86/27/554568627.db2.gz VMKPBWOBSIFKLP-UHFFFAOYSA-N 1 1 573.097 4.833 40 0 KJABMO O=C(Nc1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101076212 554577853 /nfs/dbraw/zinc/57/78/53/554577853.db2.gz ZCXXUEHMDPRKLK-XQUALCHDSA-N 1 1 514.379 4.603 40 0 KJABMO O=C(Nc1ccccc1)[C@@H]1[C@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101076212 554577850 /nfs/dbraw/zinc/57/78/50/554577850.db2.gz ZCXXUEHMDPRKLK-XQUALCHDSA-N 1 1 514.379 4.603 40 0 KJABMO Cc1ccc(N2CCN(C[C@@H](O)COc3ccc(OC[C@H](O)C[NH+]4CCN(c5ccc(C)c(Cl)c5)CC4)cc3)CC2)cc1Cl ZINC000101209916 554678520 /nfs/dbraw/zinc/67/85/20/554678520.db2.gz SLLWWMSLIZILTB-LOYHVIPDSA-N 1 1 643.656 4.734 40 0 KJABMO COc1ccccc1OCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000101215672 554681444 /nfs/dbraw/zinc/68/14/44/554681444.db2.gz RWQOQOHWLVAVEN-UHFFFAOYSA-N 1 1 537.595 4.963 40 0 KJABMO COc1ccc(OCC(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)CC2)cc1 ZINC000101215675 554681431 /nfs/dbraw/zinc/68/14/31/554681431.db2.gz HOCQNWSRLGNVOJ-UHFFFAOYSA-N 1 1 537.595 4.963 40 0 KJABMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)COc3ccccc3OC)CC2)cc1 ZINC000101215760 554681690 /nfs/dbraw/zinc/68/16/90/554681690.db2.gz QZYRMMUHAAXVTI-UHFFFAOYSA-N 1 1 549.631 4.832 40 0 KJABMO COc1ccc(OCC(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(OC)cc3)CC2)cc1 ZINC000101215762 554681595 /nfs/dbraw/zinc/68/15/95/554681595.db2.gz KSLRLSSNQXYVBV-UHFFFAOYSA-N 1 1 549.631 4.832 40 0 KJABMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1 ZINC000101215765 554681719 /nfs/dbraw/zinc/68/17/19/554681719.db2.gz NRVVNSJEDSPXSN-UHFFFAOYSA-N 1 1 537.595 4.963 40 0 KJABMO COc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)COc3ccccc3OC)CC2)c1 ZINC000101216428 554683696 /nfs/dbraw/zinc/68/36/96/554683696.db2.gz VEMZGDLWWAENQI-UHFFFAOYSA-N 1 1 549.631 4.832 40 0 KJABMO COc1ccc(OCC(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(OC)c3)CC2)cc1 ZINC000101216433 554683781 /nfs/dbraw/zinc/68/37/81/554683781.db2.gz UMCSCMRNNOIROC-UHFFFAOYSA-N 1 1 549.631 4.832 40 0 KJABMO COc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)COc3ccc(F)cc3)CC2)c1 ZINC000101216438 554683774 /nfs/dbraw/zinc/68/37/74/554683774.db2.gz MLJQYZPZTFCVAQ-UHFFFAOYSA-N 1 1 537.595 4.963 40 0 KJABMO COc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)COc3ccccc3F)CC2)c1 ZINC000101216440 554683762 /nfs/dbraw/zinc/68/37/62/554683762.db2.gz WLMUDLIFOWTYQK-UHFFFAOYSA-N 1 1 537.595 4.963 40 0 KJABMO COc1ccccc1OCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2OC)CC1 ZINC000101216584 554684065 /nfs/dbraw/zinc/68/40/65/554684065.db2.gz DNQBNKQFIUNXHM-UHFFFAOYSA-N 1 1 549.631 4.832 40 0 KJABMO COc1ccc(OCC(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3OC)CC2)cc1 ZINC000101216588 554684243 /nfs/dbraw/zinc/68/42/43/554684243.db2.gz JHCFXHAWRZGZAH-UHFFFAOYSA-N 1 1 549.631 4.832 40 0 KJABMO COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000101216593 554684339 /nfs/dbraw/zinc/68/43/39/554684339.db2.gz JHWDWBBTTSGSST-UHFFFAOYSA-N 1 1 537.595 4.963 40 0 KJABMO COc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000101360971 554742459 /nfs/dbraw/zinc/74/24/59/554742459.db2.gz DMXMMMPKGRBCHA-JBXUNAHCSA-N 1 1 533.506 4.868 40 0 KJABMO COc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000101360971 554742457 /nfs/dbraw/zinc/74/24/57/554742457.db2.gz DMXMMMPKGRBCHA-JBXUNAHCSA-N 1 1 533.506 4.868 40 0 KJABMO COc1ccc(NC(=O)[C@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000101360972 554742464 /nfs/dbraw/zinc/74/24/64/554742464.db2.gz DMXMMMPKGRBCHA-CXSMSNRLSA-N 1 1 533.506 4.868 40 0 KJABMO COc1ccc(NC(=O)[C@H]2[C@H]3C(=O)N(c4cccc(C(F)(F)F)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000101360972 554742463 /nfs/dbraw/zinc/74/24/63/554742463.db2.gz DMXMMMPKGRBCHA-CXSMSNRLSA-N 1 1 533.506 4.868 40 0 KJABMO O=C1C[C@H](NCc2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(N2C(=O)C[C@H]([NH2+]Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000101406214 554761804 /nfs/dbraw/zinc/76/18/04/554761804.db2.gz PKHUESKAJFUHFK-ZEQRLZLVSA-N 1 1 618.534 4.568 40 0 KJABMO CC(C)Cn1c2nnc(CCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2c2ccccc2c1=O ZINC000101533214 554795345 /nfs/dbraw/zinc/79/53/45/554795345.db2.gz CJDNPIDAVRHSBX-UHFFFAOYSA-N 1 1 548.691 4.567 40 0 KJABMO Cc1cc(I)c2c(c1)C(=O)C(CN1CCC[C@H](C)C1)(C[N@H+]1CCC[C@@H](C)C1)CO2 ZINC000102667610 555001892 /nfs/dbraw/zinc/00/18/92/555001892.db2.gz BNTHIZBZHTVGFG-QLCVBSLISA-N 1 1 510.460 4.625 40 0 KJABMO Cc1cc(I)c2c(c1)C(=O)C(CN1CCC[C@H](C)C1)(C[N@@H+]1CCC[C@@H](C)C1)CO2 ZINC000102667610 555001889 /nfs/dbraw/zinc/00/18/89/555001889.db2.gz BNTHIZBZHTVGFG-QLCVBSLISA-N 1 1 510.460 4.625 40 0 KJABMO Cc1cc(I)c2c(c1)C(=O)C(CN1CCC[C@@H](C)C1)(C[N@H+]1CCC[C@H](C)C1)CO2 ZINC000102667610 555001886 /nfs/dbraw/zinc/00/18/86/555001886.db2.gz BNTHIZBZHTVGFG-QLCVBSLISA-N 1 1 510.460 4.625 40 0 KJABMO CCOc1ccccc1C(=O)[C@H]1[C@@H]2CCC[N@H+]2[C@@]2(c3ccc(C)c(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000102769472 555056892 /nfs/dbraw/zinc/05/68/92/555056892.db2.gz QEBRGKUXJSEWSI-CKKSYRDUSA-N 1 1 521.617 4.717 40 0 KJABMO CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCC[N@H+]2[C@@]2(c3ccc(C)c(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000102769475 555057008 /nfs/dbraw/zinc/05/70/08/555057008.db2.gz QEBRGKUXJSEWSI-HCTNYXOCSA-N 1 1 521.617 4.717 40 0 KJABMO CCOc1ccccc1C(=O)[C@H]1[C@H]2CCC[N@H+]2[C@@]2(c3ccc(C)c(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000102769477 555056935 /nfs/dbraw/zinc/05/69/35/555056935.db2.gz QEBRGKUXJSEWSI-OCMZCUFDSA-N 1 1 521.617 4.717 40 0 KJABMO CCOc1ccccc1C(=O)[C@H]1[C@@H]2CCC[N@H+]2[C@@]2(c3cc(C)cc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000102770110 555057523 /nfs/dbraw/zinc/05/75/23/555057523.db2.gz SFJVDJKWVJXRMO-CKKSYRDUSA-N 1 1 521.617 4.717 40 0 KJABMO CCOc1ccccc1C(=O)[C@@H]1[C@H]2CCC[N@H+]2[C@@]2(c3cc(C)cc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000102770114 555057467 /nfs/dbraw/zinc/05/74/67/555057467.db2.gz SFJVDJKWVJXRMO-HCTNYXOCSA-N 1 1 521.617 4.717 40 0 KJABMO CCOc1ccccc1C(=O)[C@H]1[C@H]2CCC[N@H+]2[C@@]2(c3cc(C)cc(C)c3NC2=O)[C@@]12c1ccccc1NC2=O ZINC000102770115 555057680 /nfs/dbraw/zinc/05/76/80/555057680.db2.gz SFJVDJKWVJXRMO-OCMZCUFDSA-N 1 1 521.617 4.717 40 0 KJABMO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]12 ZINC000102893937 555131896 /nfs/dbraw/zinc/13/18/96/555131896.db2.gz MEUGUJJXQASHQF-ASDGIDEWSA-N 1 1 561.516 4.631 40 0 KJABMO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]12 ZINC000102893937 555131893 /nfs/dbraw/zinc/13/18/93/555131893.db2.gz MEUGUJJXQASHQF-ASDGIDEWSA-N 1 1 561.516 4.631 40 0 KJABMO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000102893942 555131920 /nfs/dbraw/zinc/13/19/20/555131920.db2.gz MEUGUJJXQASHQF-QEGGNFSNSA-N 1 1 561.516 4.631 40 0 KJABMO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1[C@H]2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000102893942 555131917 /nfs/dbraw/zinc/13/19/17/555131917.db2.gz MEUGUJJXQASHQF-QEGGNFSNSA-N 1 1 561.516 4.631 40 0 KJABMO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[N@@H+]2C=Cc4ccccc4[C@@H]32)cc1 ZINC000103526335 555428332 /nfs/dbraw/zinc/42/83/32/555428332.db2.gz FFCRDQXEULCJCN-NGSHPTGOSA-N 1 1 533.506 4.868 40 0 KJABMO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[N@H+]2C=Cc4ccccc4[C@@H]32)cc1 ZINC000103526335 555428330 /nfs/dbraw/zinc/42/83/30/555428330.db2.gz FFCRDQXEULCJCN-NGSHPTGOSA-N 1 1 533.506 4.868 40 0 KJABMO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000103526341 555428321 /nfs/dbraw/zinc/42/83/21/555428321.db2.gz FFCRDQXEULCJCN-VPBXCIAMSA-N 1 1 533.506 4.868 40 0 KJABMO COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000103526341 555428318 /nfs/dbraw/zinc/42/83/18/555428318.db2.gz FFCRDQXEULCJCN-VPBXCIAMSA-N 1 1 533.506 4.868 40 0 KJABMO COc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103528762 555429568 /nfs/dbraw/zinc/42/95/68/555429568.db2.gz RGOIEQIXJJUYKS-JHPWSJGBSA-N 1 1 558.034 4.680 40 0 KJABMO COc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103528762 555429563 /nfs/dbraw/zinc/42/95/63/555429563.db2.gz RGOIEQIXJJUYKS-JHPWSJGBSA-N 1 1 558.034 4.680 40 0 KJABMO COc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103528768 555429635 /nfs/dbraw/zinc/42/96/35/555429635.db2.gz RGOIEQIXJJUYKS-SDDLEPOWSA-N 1 1 558.034 4.680 40 0 KJABMO COc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103528768 555429633 /nfs/dbraw/zinc/42/96/33/555429633.db2.gz RGOIEQIXJJUYKS-SDDLEPOWSA-N 1 1 558.034 4.680 40 0 KJABMO COc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103528774 555429706 /nfs/dbraw/zinc/42/97/06/555429706.db2.gz RGOIEQIXJJUYKS-SUBXGECISA-N 1 1 558.034 4.680 40 0 KJABMO COc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103528774 555429703 /nfs/dbraw/zinc/42/97/03/555429703.db2.gz RGOIEQIXJJUYKS-SUBXGECISA-N 1 1 558.034 4.680 40 0 KJABMO COc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103528779 555429552 /nfs/dbraw/zinc/42/95/52/555429552.db2.gz RGOIEQIXJJUYKS-SOCPKPSGSA-N 1 1 558.034 4.680 40 0 KJABMO COc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103528779 555429549 /nfs/dbraw/zinc/42/95/49/555429549.db2.gz RGOIEQIXJJUYKS-SOCPKPSGSA-N 1 1 558.034 4.680 40 0 KJABMO COc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103533196 555433266 /nfs/dbraw/zinc/43/32/66/555433266.db2.gz JVKNTDSYNORIEP-JHPWSJGBSA-N 1 1 558.034 4.680 40 0 KJABMO COc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103533196 555433264 /nfs/dbraw/zinc/43/32/64/555433264.db2.gz JVKNTDSYNORIEP-JHPWSJGBSA-N 1 1 558.034 4.680 40 0 KJABMO COc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103533203 555433259 /nfs/dbraw/zinc/43/32/59/555433259.db2.gz JVKNTDSYNORIEP-SDDLEPOWSA-N 1 1 558.034 4.680 40 0 KJABMO COc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103533203 555433256 /nfs/dbraw/zinc/43/32/56/555433256.db2.gz JVKNTDSYNORIEP-SDDLEPOWSA-N 1 1 558.034 4.680 40 0 KJABMO COc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103533209 555433750 /nfs/dbraw/zinc/43/37/50/555433750.db2.gz JVKNTDSYNORIEP-SUBXGECISA-N 1 1 558.034 4.680 40 0 KJABMO COc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103533209 555433749 /nfs/dbraw/zinc/43/37/49/555433749.db2.gz JVKNTDSYNORIEP-SUBXGECISA-N 1 1 558.034 4.680 40 0 KJABMO COc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103533213 555433739 /nfs/dbraw/zinc/43/37/39/555433739.db2.gz JVKNTDSYNORIEP-SOCPKPSGSA-N 1 1 558.034 4.680 40 0 KJABMO COc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000103533213 555433738 /nfs/dbraw/zinc/43/37/38/555433738.db2.gz JVKNTDSYNORIEP-SOCPKPSGSA-N 1 1 558.034 4.680 40 0 KJABMO CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@H]4[C@@H]5C[N@H+]6C[C@H](C)CC[C@H]6[C@H](C)[C@H]5CC[C@@]4(O)[C@H]3C[C@H](OC(C)=O)[C@H]2C1 ZINC000103542844 555439452 /nfs/dbraw/zinc/43/94/52/555439452.db2.gz HXCNNBUQYOTILV-SZFCUFBUSA-N 1 1 515.735 4.820 40 0 KJABMO CC(=O)O[C@H]1CC[C@]2(C)[C@H]3C[C@H]4[C@H]5C[N@H+]6C[C@H](C)CC[C@H]6[C@H](C)[C@H]5CC[C@@]4(O)[C@H]3C[C@H](OC(C)=O)[C@H]2C1 ZINC000103542852 555439383 /nfs/dbraw/zinc/43/93/83/555439383.db2.gz HXCNNBUQYOTILV-IHHYUGPXSA-N 1 1 515.735 4.820 40 0 KJABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2c(Cl)cccc2Cl)cc1 ZINC000103577429 555450947 /nfs/dbraw/zinc/45/09/47/555450947.db2.gz GOOCXMYIRIAIAN-UHFFFAOYSA-N 1 1 546.520 4.837 40 0 KJABMO CN(c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)S(=O)(=O)c1ccccc1 ZINC000104404675 571380548 /nfs/dbraw/zinc/38/05/48/571380548.db2.gz ZNWPRYXUAZUTGN-UHFFFAOYSA-N 1 1 555.700 4.824 40 0 KJABMO COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000104614014 571381631 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C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1)c1ccccc1 ZINC000222647067 571379723 /nfs/dbraw/zinc/37/97/23/571379723.db2.gz MJFAPWQUVGUODO-LJQANCHMSA-N 1 1 539.057 4.535 40 0 KJABMO C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCCNc2cc[nH+]c3cc(Cl)ccc23)cc1)c1ccccc1 ZINC000222647122 571379776 /nfs/dbraw/zinc/37/97/76/571379776.db2.gz MJFAPWQUVGUODO-IBGZPJMESA-N 1 1 539.057 4.535 40 0 KJABMO C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)cc1)c1ccccc1 ZINC000222647215 571379756 /nfs/dbraw/zinc/37/97/56/571379756.db2.gz GKOSPUMDOMCXAB-HXUWFJFHSA-N 1 1 553.084 4.925 40 0 KJABMO C[C@H](NS(=O)(=O)c1ccc(OCC(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)cc1)c1ccccc1 ZINC000222647271 571379809 /nfs/dbraw/zinc/37/98/09/571379809.db2.gz GKOSPUMDOMCXAB-FQEVSTJZSA-N 1 1 553.084 4.925 40 0 KJABMO CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)NCCCNc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000222672103 571382449 /nfs/dbraw/zinc/38/24/49/571382449.db2.gz BFARLRGBCTUYKN-UHFFFAOYSA-N 1 1 553.084 4.706 40 0 KJABMO 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1 1 568.434 4.542 40 0 KJABMO CC1(C)CCC2(CC[NH+](CC(=O)Nc3cccc4c3CCCC4)CC2)CN1S(=O)(=O)c1ccccc1 ZINC000257266748 572312639 /nfs/dbraw/zinc/31/26/39/572312639.db2.gz MEIYDQDQDKPHQC-UHFFFAOYSA-N 1 1 509.716 4.849 40 0 KJABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@](COc2cccc(Cl)c2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257268622 572312869 /nfs/dbraw/zinc/31/28/69/572312869.db2.gz MMMHVMHIKQUALJ-GDLZYMKVSA-N 1 1 523.077 4.835 40 0 KJABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@](COc2cccc(Cl)c2)(CC(=O)N(C)Cc2ccccc2)C1 ZINC000257268623 572312875 /nfs/dbraw/zinc/31/28/75/572312875.db2.gz MMMHVMHIKQUALJ-LJAQVGFWSA-N 1 1 523.077 4.835 40 0 KJABMO CC1(C)CC2(CN1S(=O)(=O)Cc1ccccc1)CC[NH+](CC(=O)Nc1ccc3c(c1)CCCC3)CC2 ZINC000257270860 572313011 /nfs/dbraw/zinc/31/30/11/572313011.db2.gz MVYIGVKVZKVPRI-UHFFFAOYSA-N 1 1 509.716 4.600 40 0 KJABMO COCCn1c(C)cc(C[N@H+]2CCC[C@](COc3ccc(Cl)c(C)c3)(CC(=O)N3CCN(C)CC3)C2)c1C ZINC000257274699 572313287 /nfs/dbraw/zinc/31/32/87/572313287.db2.gz NMFMHCVXNVOBBO-PMERELPUSA-N 1 1 545.168 4.538 40 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4.606 40 0 KJABMO Cc1cc(OCC2(CC(=O)N3CC[NH+](C)CC3)CCN(C(=O)Cc3ccccc3Br)CC2)ccc1Cl ZINC000257278945 572313600 /nfs/dbraw/zinc/31/36/00/572313600.db2.gz OEIKRJGDGAFZJO-UHFFFAOYSA-N 1 1 576.963 4.805 40 0 KJABMO CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H](Oc2cccc(Cl)c2)[C@@H](CC(=O)N2CCCCC2)C1 ZINC000257280957 572313904 /nfs/dbraw/zinc/31/39/04/572313904.db2.gz ONBVZCFPSUESEM-URXFXBBRSA-N 1 1 501.071 4.749 40 0 KJABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CCCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000257281124 572313913 /nfs/dbraw/zinc/31/39/13/572313913.db2.gz ONSZBZRFDXCNFS-RUZDIDTESA-N 1 1 574.958 4.661 40 0 KJABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CCCN(S(=O)(=O)c3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000257281125 572313915 /nfs/dbraw/zinc/31/39/15/572313915.db2.gz ONSZBZRFDXCNFS-VWLOTQADSA-N 1 1 574.958 4.661 40 0 KJABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(F)cc3)CCN(C(=O)C3(c4ccccc4F)CCCC3)CC2)CC1 ZINC000257282458 572314132 /nfs/dbraw/zinc/31/41/32/572314132.db2.gz OTVJMUCHDPGRAF-UHFFFAOYSA-N 1 1 539.667 4.629 40 0 KJABMO Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CCC[N@H+](Cc3cccn3C(C)C)C2)ccc1Cl ZINC000257284578 572314348 /nfs/dbraw/zinc/31/43/48/572314348.db2.gz PDFXHCMHYQPMOT-MUUNZHRXSA-N 1 1 501.115 4.856 40 0 KJABMO Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CCC[N@H+](Cc3cccn3C(C)C)C2)ccc1Cl ZINC000257284579 572314374 /nfs/dbraw/zinc/31/43/74/572314374.db2.gz PDFXHCMHYQPMOT-NDEPHWFRSA-N 1 1 501.115 4.856 40 0 KJABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CCCN(S(=O)(=O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000257285960 572314497 /nfs/dbraw/zinc/31/44/97/572314497.db2.gz PJOIYFOCKMUUCQ-RUZDIDTESA-N 1 1 574.958 4.661 40 0 KJABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CCCN(S(=O)(=O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000257285961 572314451 /nfs/dbraw/zinc/31/44/51/572314451.db2.gz PJOIYFOCKMUUCQ-VWLOTQADSA-N 1 1 574.958 4.661 40 0 KJABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1 ZINC000257288096 572314739 /nfs/dbraw/zinc/31/47/39/572314739.db2.gz PSUHDJZCONXORE-RUZDIDTESA-N 1 1 574.958 4.661 40 0 KJABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)CC1 ZINC000257288097 572314727 /nfs/dbraw/zinc/31/47/27/572314727.db2.gz PSUHDJZCONXORE-VWLOTQADSA-N 1 1 574.958 4.661 40 0 KJABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(F)cc3)CCN(C(=O)c3ccc(-c4ccccc4F)o3)CC2)CC1 ZINC000257289865 572314838 /nfs/dbraw/zinc/31/48/38/572314838.db2.gz QANCDSVXWVCHSO-UHFFFAOYSA-N 1 1 537.607 4.690 40 0 KJABMO COc1ccccc1C[N@@H+](C)[C@H]1[C@H](O)[C@@H](Oc2cccc(C(F)(F)F)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000257292122 572314989 /nfs/dbraw/zinc/31/49/89/572314989.db2.gz QKCRKMYSGOVDPX-KZKAQZJJSA-N 1 1 510.553 4.620 40 0 KJABMO COc1ccccc1C[N@H+](C)[C@H]1[C@H](O)[C@@H](Oc2cccc(C(F)(F)F)c2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000257292122 572314988 /nfs/dbraw/zinc/31/49/88/572314988.db2.gz QKCRKMYSGOVDPX-KZKAQZJJSA-N 1 1 510.553 4.620 40 0 KJABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(F)cc3)CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000257295705 572315359 /nfs/dbraw/zinc/31/53/59/572315359.db2.gz QZNOSTDCSLPNPC-AREMUKBSSA-N 1 1 522.448 4.598 40 0 KJABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(F)cc3)CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000257295706 572315400 /nfs/dbraw/zinc/31/54/00/572315400.db2.gz QZNOSTDCSLPNPC-SANMLTNESA-N 1 1 522.448 4.598 40 0 KJABMO Cc1cc(=O)n(-c2cccc(NC(=O)CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3NC(=O)OC(C)(C)C)c2)[nH]1 ZINC000257303542 572316234 /nfs/dbraw/zinc/31/62/34/572316234.db2.gz SHQLVGLPHPDSKN-BVAGGSTKSA-N 1 1 533.673 4.933 40 0 KJABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)CC1 ZINC000257303690 572316156 /nfs/dbraw/zinc/31/61/56/572316156.db2.gz SIHDXZJUQVACDT-UHFFFAOYSA-N 1 1 522.448 4.598 40 0 KJABMO Cc1nc(-c2cccc(NC(=O)C[NH+]3CCC4(CC3)CCC(C)(C)N(S(=O)(=O)CC(C)C)C4)c2)cs1 ZINC000257309905 572316882 /nfs/dbraw/zinc/31/68/82/572316882.db2.gz UCWVEFWVSDSWAB-UHFFFAOYSA-N 1 1 532.776 4.999 40 0 KJABMO Cc1cc(OC[C@@]2(CC(=O)N3CCN(C)CC3)CCC[N@@H+](Cc3cnn(C4CCCC4)c3)C2)ccc1Cl ZINC000257310753 572316827 /nfs/dbraw/zinc/31/68/27/572316827.db2.gz UGKFHMBBFGBBQS-GDLZYMKVSA-N 1 1 528.141 4.785 40 0 KJABMO Cc1cc(OC[C@]2(CC(=O)N3CCN(C)CC3)CCC[N@@H+](Cc3cnn(C4CCCC4)c3)C2)ccc1Cl ZINC000257310754 572316895 /nfs/dbraw/zinc/31/68/95/572316895.db2.gz UGKFHMBBFGBBQS-LJAQVGFWSA-N 1 1 528.141 4.785 40 0 KJABMO CCN(C(=O)C[NH+]1CCC2(CC1)CN(S(=O)(=O)c1ccc(C)cc1)[C@H](Cc1ccccc1)CO2)c1cccc(C)c1 ZINC000257310819 572316908 /nfs/dbraw/zinc/31/69/08/572316908.db2.gz UGTIKAFXDNMXET-SSEXGKCCSA-N 1 1 575.775 4.823 40 0 KJABMO C[NH+]1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CCCN(C(=O)c3ccccc3Br)C2)CC1 ZINC000257314089 572317230 /nfs/dbraw/zinc/31/72/30/572317230.db2.gz UVGFEXVMHWUWLB-AREMUKBSSA-N 1 1 548.909 4.568 40 0 KJABMO C[NH+]1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CCCN(C(=O)c3ccccc3Br)C2)CC1 ZINC000257314090 572317217 /nfs/dbraw/zinc/31/72/17/572317217.db2.gz UVGFEXVMHWUWLB-SANMLTNESA-N 1 1 548.909 4.568 40 0 KJABMO CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H](Oc2ccccc2)[C@@H](CC(=O)N(C)Cc2ccccc2)C1 ZINC000257315132 572317268 /nfs/dbraw/zinc/31/72/68/572317268.db2.gz VAADNDCYMDRZNE-BDYUSTAISA-N 1 1 502.659 4.741 40 0 KJABMO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@](COc2ccc(F)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257317333 572317522 /nfs/dbraw/zinc/31/75/22/572317522.db2.gz VJIUGGKCMCVZKS-PMERELPUSA-N 1 1 569.077 4.908 40 0 KJABMO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@@](COc2ccc(F)cc2)(CC(=O)N2CC[NH+](C)CC2)C1 ZINC000257317334 572317595 /nfs/dbraw/zinc/31/75/95/572317595.db2.gz VJIUGGKCMCVZKS-SSEXGKCCSA-N 1 1 569.077 4.908 40 0 KJABMO C[NH+]1CCN(C(=O)CC2(COc3ccc(Cl)cc3)CCN(C(=O)Cc3c(F)cccc3Cl)CC2)CC1 ZINC000257317678 572317569 /nfs/dbraw/zinc/31/75/69/572317569.db2.gz VKTFSWPQHAGXMO-UHFFFAOYSA-N 1 1 536.475 4.527 40 0 KJABMO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(COc2ccc(F)cc2)(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000257318367 572317667 /nfs/dbraw/zinc/31/76/67/572317667.db2.gz VNPQRNSOZWHASO-UHFFFAOYSA-N 1 1 569.077 4.908 40 0 KJABMO Cc1ccc(F)cc1C[N@@H+]1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCN(C)CC2)C1 ZINC000257318672 572317759 /nfs/dbraw/zinc/31/77/59/572317759.db2.gz VOYXJYFPYZTUFS-MUUNZHRXSA-N 1 1 502.074 4.921 40 0 KJABMO Cc1ccc(F)cc1C[N@@H+]1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCN(C)CC2)C1 ZINC000257318673 572317720 /nfs/dbraw/zinc/31/77/20/572317720.db2.gz VOYXJYFPYZTUFS-NDEPHWFRSA-N 1 1 502.074 4.921 40 0 KJABMO C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)Cc3ccc4ccccc4c3)CC[C@@H]2Oc2cccc(Br)c2)CC1 ZINC000257318957 572317662 /nfs/dbraw/zinc/31/76/62/572317662.db2.gz VQBVJYVODKHUOX-LSYYVWMOSA-N 1 1 564.524 4.605 40 0 KJABMO CCc1[nH+]ccn1CC(=O)N1CCC(COc2cccc(Cl)c2)(CC(=O)N2CCc3ccccc3C2)CC1 ZINC000257319688 572317946 /nfs/dbraw/zinc/31/79/46/572317946.db2.gz VTPNTGYZIQQJEF-UHFFFAOYSA-N 1 1 535.088 4.762 40 0 KJABMO CCN(C(=O)C[NH+]1CCC2(CN(S(=O)(=O)c3cccc(Cl)c3)C(C)(C)C2)CC1)c1cccc(C)c1 ZINC000257321940 572317964 /nfs/dbraw/zinc/31/79/64/572317964.db2.gz WDYUPUKWFIANME-UHFFFAOYSA-N 1 1 518.123 4.957 40 0 KJABMO CC1(C)CC2(CN1S(=O)(=O)Cc1ccccc1)CC[NH+](CC(=O)Nc1cccc3ccccc31)CC2 ZINC000257322172 572318111 /nfs/dbraw/zinc/31/81/11/572318111.db2.gz 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COc1ccc(CN2CCO[C@]3(C[N@@H+](Cc4cccc(Cl)c4)C[C@H]3c3cn(C(C)C)cn3)C2=O)cc1 ZINC000306129026 572144871 /nfs/dbraw/zinc/14/48/71/572144871.db2.gz HRWROISICJVEHE-LSYYVWMOSA-N 1 1 509.050 4.523 40 0 KJABMO COc1ccc(CN2CCO[C@]3(C[N@@H+](Cc4cccc(Cl)c4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cc1 ZINC000306129027 572145045 /nfs/dbraw/zinc/14/50/45/572145045.db2.gz HRWROISICJVEHE-NAKRPHOHSA-N 1 1 509.050 4.523 40 0 KJABMO COc1ccc(CN2CCO[C@@]3(C[N@@H+](Cc4ccc(OC(C)C)cc4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cc1 ZINC000306136351 572145037 /nfs/dbraw/zinc/14/50/37/572145037.db2.gz PQXNQKSUMRQFQB-GRKNLSHJSA-N 1 1 532.685 4.657 40 0 KJABMO COc1ccc(CN2CCO[C@]3(C[N@@H+](Cc4ccc(OC(C)C)cc4)C[C@H]3c3cn(C(C)C)cn3)C2=O)cc1 ZINC000306136352 572144923 /nfs/dbraw/zinc/14/49/23/572144923.db2.gz PQXNQKSUMRQFQB-IZEXYCQBSA-N 1 1 532.685 4.657 40 0 KJABMO COc1ccc(CN2CCO[C@]3(C[N@@H+](Cc4ccc(OC(C)C)cc4)C[C@@H]3c3cn(C(C)C)cn3)C2=O)cc1 ZINC000306136353 572144810 /nfs/dbraw/zinc/14/48/10/572144810.db2.gz PQXNQKSUMRQFQB-MVSFAKPFSA-N 1 1 532.685 4.657 40 0 KJABMO COc1ccc(CN2CCO[C@@]3(C[N@@H+](Cc4ccc(OC(C)C)cc4)C[C@H]3c3cn(C(C)C)cn3)C2=O)cc1 ZINC000306136354 572145013 /nfs/dbraw/zinc/14/50/13/572145013.db2.gz PQXNQKSUMRQFQB-QCENPCRXSA-N 1 1 532.685 4.657 40 0 KJABMO C[NH+](C)CCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329040315 572150298 /nfs/dbraw/zinc/15/02/98/572150298.db2.gz SDFLFWODYBNEIV-UHFFFAOYSA-N 1 1 502.324 4.616 40 0 KJABMO O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408529499 572168325 /nfs/dbraw/zinc/16/83/25/572168325.db2.gz IEFYQOFJZPWBIJ-UHFFFAOYSA-N 1 1 559.663 4.939 40 0 KJABMO Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408534433 572185990 /nfs/dbraw/zinc/18/59/90/572185990.db2.gz SIFUHWZXFPJPKO-UHFFFAOYSA-N 1 1 569.727 4.786 40 0 KJABMO CS(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000408545634 572220273 /nfs/dbraw/zinc/22/02/73/572220273.db2.gz LUWOEBMBOPWISD-UHFFFAOYSA-N 1 1 569.727 4.965 40 0 KJABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2cc(Cl)ccc2Cl)cc1 ZINC000408545816 572220970 /nfs/dbraw/zinc/22/09/70/572220970.db2.gz AIOVNXMILQYHDU-UHFFFAOYSA-N 1 1 532.493 4.842 40 0 KJABMO O=C(CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000408547270 572225351 /nfs/dbraw/zinc/22/53/51/572225351.db2.gz YCDYZRBOBASZGF-UHFFFAOYSA-N 1 1 518.466 4.533 40 0 KJABMO O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408547830 572227294 /nfs/dbraw/zinc/22/72/94/572227294.db2.gz NOELFGHAKXGTJG-UHFFFAOYSA-N 1 1 543.664 4.955 40 0 KJABMO Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)c(C)c1 ZINC000408555279 572242737 /nfs/dbraw/zinc/24/27/37/572242737.db2.gz AEHOUJZIGMFAHW-GDLZYMKVSA-N 1 1 545.749 4.946 40 0 KJABMO Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)c(C)c1 ZINC000408555283 572242720 /nfs/dbraw/zinc/24/27/20/572242720.db2.gz AEHOUJZIGMFAHW-LJAQVGFWSA-N 1 1 545.749 4.946 40 0 KJABMO O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408556583 572243968 /nfs/dbraw/zinc/24/39/68/572243968.db2.gz JPQUBXBTPFBZOV-UHFFFAOYSA-N 1 1 568.139 4.827 40 0 KJABMO CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)CC2)cc1C ZINC000408557752 572245136 /nfs/dbraw/zinc/24/51/36/572245136.db2.gz HRJCYAMUAXQUND-UHFFFAOYSA-N 1 1 561.748 4.728 40 0 KJABMO O=C(COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408558993 572246393 /nfs/dbraw/zinc/24/63/93/572246393.db2.gz TZYLVBOHAKQQLW-UHFFFAOYSA-N 1 1 567.711 4.751 40 0 KJABMO CCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)cc1C ZINC000408561402 572248216 /nfs/dbraw/zinc/24/82/16/572248216.db2.gz RZDMJKRFJHWZSJ-MUUNZHRXSA-N 1 1 561.748 4.728 40 0 KJABMO CCOc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)cc1C ZINC000408561403 572248073 /nfs/dbraw/zinc/24/80/73/572248073.db2.gz RZDMJKRFJHWZSJ-NDEPHWFRSA-N 1 1 561.748 4.728 40 0 KJABMO COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000408588436 572266851 /nfs/dbraw/zinc/26/68/51/572266851.db2.gz GGOBLJBPLZDPQM-RUZDIDTESA-N 1 1 568.139 4.683 40 0 KJABMO COc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C1 ZINC000408588437 572266831 /nfs/dbraw/zinc/26/68/31/572266831.db2.gz GGOBLJBPLZDPQM-VWLOTQADSA-N 1 1 568.139 4.683 40 0 KJABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000408589833 572267466 /nfs/dbraw/zinc/26/74/66/572267466.db2.gz GCPWZFURVBWENI-UHFFFAOYSA-N 1 1 562.519 4.850 40 0 KJABMO Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000408589983 572267448 /nfs/dbraw/zinc/26/74/48/572267448.db2.gz GPDREYHIUULXTM-HKBQPEDESA-N 1 1 553.728 4.818 40 0 KJABMO Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000408589984 572267476 /nfs/dbraw/zinc/26/74/76/572267476.db2.gz GPDREYHIUULXTM-WJOKGBTCSA-N 1 1 553.728 4.818 40 0 KJABMO COc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000408590714 572267909 /nfs/dbraw/zinc/26/79/09/572267909.db2.gz KNSZJPSVXBTGJV-UHFFFAOYSA-N 1 1 568.139 4.683 40 0 KJABMO O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408591105 572268170 /nfs/dbraw/zinc/26/81/70/572268170.db2.gz IUAVHSBABPTZDH-UHFFFAOYSA-N 1 1 568.139 4.874 40 0 KJABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000408592236 572268564 /nfs/dbraw/zinc/26/85/64/572268564.db2.gz KUHSCGPOTXJTNL-UHFFFAOYSA-N 1 1 561.626 4.562 40 0 KJABMO COc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)c1 ZINC000408606298 572274799 /nfs/dbraw/zinc/27/47/99/572274799.db2.gz OPUUHIJIYHJGAA-UHFFFAOYSA-N 1 1 571.699 4.809 40 0 KJABMO O=C(COc1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408617807 572279733 /nfs/dbraw/zinc/27/97/33/572279733.db2.gz DFOKVTNIPQQTOS-UHFFFAOYSA-N 1 1 547.721 4.564 40 0 KJABMO CS(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000408623447 572282694 /nfs/dbraw/zinc/28/26/94/572282694.db2.gz QXGCKIUDISBEPK-UHFFFAOYSA-N 1 1 546.520 4.689 40 0 KJABMO CCCCNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 ZINC000408637069 572293973 /nfs/dbraw/zinc/29/39/73/572293973.db2.gz WYOYLOFENBRTOI-UHFFFAOYSA-N 1 1 556.128 4.731 40 0 KJABMO COc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1S(=O)(=O)NCc1ccccc1 ZINC000408675796 572318366 /nfs/dbraw/zinc/31/83/66/572318366.db2.gz KPIYRWHYRPRKRF-UHFFFAOYSA-N 1 1 555.700 4.721 40 0 KJABMO COc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1S(=O)(=O)NC1CCCCC1 ZINC000408676275 572318507 /nfs/dbraw/zinc/31/85/07/572318507.db2.gz MURRCDKKKBDVMG-UHFFFAOYSA-N 1 1 547.721 4.854 40 0 KJABMO CS(=O)(=O)N(CCCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC000408680219 572321045 /nfs/dbraw/zinc/32/10/45/572321045.db2.gz PWJOSGQMJYJNNV-UHFFFAOYSA-N 1 1 526.102 4.820 40 0 KJABMO O=C(C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408680875 572321525 /nfs/dbraw/zinc/32/15/25/572321525.db2.gz SGJCUIWRMRBNTR-UHFFFAOYSA-N 1 1 570.130 4.955 40 0 KJABMO O=C(C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408694067 1066533148 /nfs/dbraw/zinc/53/31/48/1066533148.db2.gz AIFPWWRPWXYTHJ-UHFFFAOYSA-N 1 1 552.140 4.816 40 0 KJABMO CS(=O)(=O)N(CCCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1cccc(Cl)c1 ZINC000408694881 1066531632 /nfs/dbraw/zinc/53/16/32/1066531632.db2.gz NNEFGPKQWPALNF-UHFFFAOYSA-N 1 1 526.102 4.820 40 0 KJABMO CSc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)CC2)cc1 ZINC000408695184 1066531292 /nfs/dbraw/zinc/53/12/92/1066531292.db2.gz MMRCQTLGESKZAH-UHFFFAOYSA-N 1 1 549.762 4.743 40 0 KJABMO O=C(C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408695666 1066529590 /nfs/dbraw/zinc/52/95/90/1066529590.db2.gz SRKNWKZJABWJSH-UHFFFAOYSA-N 1 1 552.140 4.816 40 0 KJABMO O=C(C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408695721 1066529662 /nfs/dbraw/zinc/52/96/62/1066529662.db2.gz UGVPVORMCDQQPI-UHFFFAOYSA-N 1 1 552.140 4.816 40 0 KJABMO O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408695752 1066530191 /nfs/dbraw/zinc/53/01/91/1066530191.db2.gz YFPJNNFJOLWGJY-UHFFFAOYSA-N 1 1 541.648 4.935 40 0 KJABMO COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408700795 1066549256 /nfs/dbraw/zinc/54/92/56/1066549256.db2.gz LZJCGNKCQUJNKK-UHFFFAOYSA-N 1 1 547.721 4.663 40 0 KJABMO CCN(c1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000408701968 1066547634 /nfs/dbraw/zinc/54/76/34/1066547634.db2.gz IIEBNUAQBQXAAT-UHFFFAOYSA-N 1 1 509.697 4.582 40 0 KJABMO Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408703540 1066545709 /nfs/dbraw/zinc/54/57/09/1066545709.db2.gz SHPPVIJVLDLVMF-UHFFFAOYSA-N 1 1 531.722 4.963 40 0 KJABMO Cc1ccc(C)c(N(CCCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000408706219 1066198517 /nfs/dbraw/zinc/19/85/17/1066198517.db2.gz XTDPGGNANPAYNV-UHFFFAOYSA-N 1 1 519.711 4.783 40 0 KJABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000408711031 1066558008 /nfs/dbraw/zinc/55/80/08/1066558008.db2.gz NUUKRKLQADTGHC-UHFFFAOYSA-N 1 1 562.519 4.850 40 0 KJABMO COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccc(C)c(Cl)c1 ZINC000408711053 1066197694 /nfs/dbraw/zinc/19/76/94/1066197694.db2.gz RQTFRHBIFVEFPT-UHFFFAOYSA-N 1 1 542.101 4.505 40 0 KJABMO CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 ZINC000408713497 1066553491 /nfs/dbraw/zinc/55/34/91/1066553491.db2.gz CNOHREAVTVOFJE-UHFFFAOYSA-N 1 1 556.128 4.683 40 0 KJABMO O=C([C@@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408714420 1066552534 /nfs/dbraw/zinc/55/25/34/1066552534.db2.gz QHWBNRFIXPFCKR-HKBQPEDESA-N 1 1 567.711 4.718 40 0 KJABMO O=C([C@H]1CN(S(=O)(=O)Cc2ccccc2)c2ccccc2O1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408714421 1066552469 /nfs/dbraw/zinc/55/24/69/1066552469.db2.gz QHWBNRFIXPFCKR-WJOKGBTCSA-N 1 1 567.711 4.718 40 0 KJABMO O=C(C1CCN(S(=O)(=O)CCCc2ccccc2)CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408714521 1066551606 /nfs/dbraw/zinc/55/16/06/1066551606.db2.gz SQWHLMVMHZFMJA-UHFFFAOYSA-N 1 1 545.749 4.595 40 0 KJABMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccc(I)cc3)cc2)CC1 ZINC000408751507 1066581331 /nfs/dbraw/zinc/58/13/31/1066581331.db2.gz QMBOSDNXZPCTNH-UHFFFAOYSA-N 1 1 527.406 4.874 40 0 KJABMO O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000408969773 1066744425 /nfs/dbraw/zinc/74/44/25/1066744425.db2.gz UGBAZXKVFIRGAT-UHFFFAOYSA-N 1 1 538.113 4.675 40 0 KJABMO C=C1[NH+]=C(SCC(=O)Nc2cccc(Cl)c2C)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408986498 1066294207 /nfs/dbraw/zinc/29/42/07/1066294207.db2.gz CPLMVCFRJJMAPR-HSZRJFAPSA-N 1 1 548.061 4.884 40 0 KJABMO C=C1[NH+]=C(SCC(=O)Nc2cccc(Cl)c2C)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408986500 1066294005 /nfs/dbraw/zinc/29/40/05/1066294005.db2.gz CPLMVCFRJJMAPR-QHCPKHFHSA-N 1 1 548.061 4.884 40 0 KJABMO C=C1[NH+]=C(SCC(=O)Nc2c(C)cccc2C)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408987153 1066747062 /nfs/dbraw/zinc/74/70/62/1066747062.db2.gz DSTIOLIZBKCRSD-DEOSSOPVSA-N 1 1 527.643 4.539 40 0 KJABMO C=C1[NH+]=C(SCC(=O)Nc2c(C)cccc2C)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408987155 1066746904 /nfs/dbraw/zinc/74/69/04/1066746904.db2.gz DSTIOLIZBKCRSD-XMMPIXPASA-N 1 1 527.643 4.539 40 0 KJABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(Cl)cc2)N[C@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408988666 1066760698 /nfs/dbraw/zinc/76/06/98/1066760698.db2.gz IUDBLHPQVLHICC-JOCHJYFZSA-N 1 1 504.008 4.567 40 0 KJABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(Cl)cc2)N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408988669 1066760646 /nfs/dbraw/zinc/76/06/46/1066760646.db2.gz IUDBLHPQVLHICC-QFIPXVFZSA-N 1 1 504.008 4.567 40 0 KJABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(Cl)cc2)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408989404 1066759745 /nfs/dbraw/zinc/75/97/45/1066759745.db2.gz KPFVPAFOQSXIBR-JOCHJYFZSA-N 1 1 534.034 4.575 40 0 KJABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(Cl)cc2)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408989406 1066295167 /nfs/dbraw/zinc/29/51/67/1066295167.db2.gz KPFVPAFOQSXIBR-QFIPXVFZSA-N 1 1 534.034 4.575 40 0 KJABMO C=C1[NH+]=C(SCC(=O)Nc2cc(C)ccc2C)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408990927 1066757851 /nfs/dbraw/zinc/75/78/51/1066757851.db2.gz PAWOSTMSONMNIU-DEOSSOPVSA-N 1 1 527.643 4.539 40 0 KJABMO C=C1[NH+]=C(SCC(=O)Nc2cc(C)ccc2C)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408990928 1066295733 /nfs/dbraw/zinc/29/57/33/1066295733.db2.gz PAWOSTMSONMNIU-XMMPIXPASA-N 1 1 527.643 4.539 40 0 KJABMO C=C1[NH+]=C(SCC(=O)Nc2cc(C)cc(C)c2)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408991650 1066757365 /nfs/dbraw/zinc/75/73/65/1066757365.db2.gz QUKAWJPKEXOEAR-DEOSSOPVSA-N 1 1 527.643 4.539 40 0 KJABMO C=C1[NH+]=C(SCC(=O)Nc2cc(C)cc(C)c2)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408991651 1066757426 /nfs/dbraw/zinc/75/74/26/1066757426.db2.gz QUKAWJPKEXOEAR-XMMPIXPASA-N 1 1 527.643 4.539 40 0 KJABMO C=C1[NH+]=C(SCC(=O)Nc2cccc(Cl)c2C)N[C@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408991889 1066756985 /nfs/dbraw/zinc/75/69/85/1066756985.db2.gz RKKOIHNVDFBKLF-HSZRJFAPSA-N 1 1 518.035 4.875 40 0 KJABMO C=C1[NH+]=C(SCC(=O)Nc2cccc(Cl)c2C)N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408991891 1066756910 /nfs/dbraw/zinc/75/69/10/1066756910.db2.gz RKKOIHNVDFBKLF-QHCPKHFHSA-N 1 1 518.035 4.875 40 0 KJABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408993916 1066755995 /nfs/dbraw/zinc/75/59/95/1066755995.db2.gz XMCIPGIBHAEVLI-HSZRJFAPSA-N 1 1 548.061 4.884 40 0 KJABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408993917 1066297728 /nfs/dbraw/zinc/29/77/28/1066297728.db2.gz XMCIPGIBHAEVLI-QHCPKHFHSA-N 1 1 548.061 4.884 40 0 KJABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)cc2C)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408994724 1066297793 /nfs/dbraw/zinc/29/77/93/1066297793.db2.gz ZVPRBVHKEOFWKG-DEOSSOPVSA-N 1 1 527.643 4.539 40 0 KJABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)cc2C)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408994725 1066298025 /nfs/dbraw/zinc/29/80/25/1066298025.db2.gz ZVPRBVHKEOFWKG-XMMPIXPASA-N 1 1 527.643 4.539 40 0 KJABMO O=C(CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409002780 1066765395 /nfs/dbraw/zinc/76/53/95/1066765395.db2.gz AJEYPMIDIPAZMH-UHFFFAOYSA-N 1 1 532.493 4.529 40 0 KJABMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C2CCCCC2)cc1OC ZINC000409003645 1066764273 /nfs/dbraw/zinc/76/42/73/1066764273.db2.gz JCZANJZOLJHHNW-UHFFFAOYSA-N 1 1 591.774 4.961 40 0 KJABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000409004060 1066764487 /nfs/dbraw/zinc/76/44/87/1066764487.db2.gz NWGWMLJXSUJAKQ-UHFFFAOYSA-N 1 1 546.520 4.837 40 0 KJABMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)Cc2ccccc2)cc1OC ZINC000409004195 1066764247 /nfs/dbraw/zinc/76/42/47/1066764247.db2.gz OQDMRZXWGQNIPM-UHFFFAOYSA-N 1 1 599.753 4.829 40 0 KJABMO COc1ccc(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000409005784 1066300237 /nfs/dbraw/zinc/30/02/37/1066300237.db2.gz VWOGGPJJBQCQBO-UHFFFAOYSA-N 1 1 615.752 4.842 40 0 KJABMO O=C(CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409007388 1066775123 /nfs/dbraw/zinc/77/51/23/1066775123.db2.gz WASOWEPGDMQMNQ-UHFFFAOYSA-N 1 1 550.483 4.668 40 0 KJABMO O=C(CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409010011 1066773741 /nfs/dbraw/zinc/77/37/41/1066773741.db2.gz CZDXQBLFVMLOQB-UHFFFAOYSA-N 1 1 546.520 4.571 40 0 KJABMO O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409027530 1066797340 /nfs/dbraw/zinc/79/73/40/1066797340.db2.gz FCPGGMYENQSWHZ-UHFFFAOYSA-N 1 1 518.466 4.533 40 0 KJABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2ccc(Cl)cc2Cl)cc1 ZINC000409059133 1066823571 /nfs/dbraw/zinc/82/35/71/1066823571.db2.gz PQPSYKSGOVYDBY-UHFFFAOYSA-N 1 1 546.520 4.837 40 0 KJABMO O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000409059437 1066822986 /nfs/dbraw/zinc/82/29/86/1066822986.db2.gz NGFAJYWZFKHDHU-UHFFFAOYSA-N 1 1 557.691 4.950 40 0 KJABMO O=C(CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409060183 1066833268 /nfs/dbraw/zinc/83/32/68/1066833268.db2.gz ZKGVOMPOPIHDHF-UHFFFAOYSA-N 1 1 532.493 4.529 40 0 KJABMO O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409061380 1066831697 /nfs/dbraw/zinc/83/16/97/1066831697.db2.gz WSEVYSPTXLETNC-UHFFFAOYSA-N 1 1 576.944 4.638 40 0 KJABMO O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409083650 1066852839 /nfs/dbraw/zinc/85/28/39/1066852839.db2.gz VWVXJTTYMKGHAW-UHFFFAOYSA-N 1 1 576.944 4.638 40 0 KJABMO O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000409126279 1066326187 /nfs/dbraw/zinc/32/61/87/1066326187.db2.gz HFMGRYXCFZXTCN-UHFFFAOYSA-N 1 1 569.727 4.520 40 0 KJABMO COc1ccc(OC)c(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000409167454 1066945616 /nfs/dbraw/zinc/94/56/16/1066945616.db2.gz LNLNYGKYAMEBLP-UHFFFAOYSA-N 1 1 645.778 4.850 40 0 KJABMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccccc2)cc1OC ZINC000409172770 1066940679 /nfs/dbraw/zinc/94/06/79/1066940679.db2.gz INOFUIWGOUGGFI-UHFFFAOYSA-N 1 1 585.726 4.833 40 0 KJABMO O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000409175233 1066206250 /nfs/dbraw/zinc/20/62/50/1066206250.db2.gz YHFLRPNWMOZQAA-UHFFFAOYSA-N 1 1 601.700 4.726 40 0 KJABMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccc(F)cc2)cc1OC ZINC000409179733 1066948021 /nfs/dbraw/zinc/94/80/21/1066948021.db2.gz SDVCYTXFHYESRZ-UHFFFAOYSA-N 1 1 603.716 4.972 40 0 KJABMO O=C(/C=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000409190910 1066954745 /nfs/dbraw/zinc/95/47/45/1066954745.db2.gz BGAMWVPVHFNEJQ-VHEBQXMUSA-N 1 1 541.673 4.705 40 0 KJABMO O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000409203676 1066960400 /nfs/dbraw/zinc/96/04/00/1066960400.db2.gz YLOUKXZMWDLKDD-UHFFFAOYSA-N 1 1 576.944 4.638 40 0 KJABMO COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)cc1OC ZINC000409204908 1066959152 /nfs/dbraw/zinc/95/91/52/1066959152.db2.gz DEMZWLICJAXFJJ-UHFFFAOYSA-N 1 1 629.779 4.537 40 0 KJABMO O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000409222040 1066969958 /nfs/dbraw/zinc/96/99/58/1066969958.db2.gz BJLFWQSKODXAHT-RUZDIDTESA-N 1 1 538.113 4.675 40 0 KJABMO O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000409222041 1066969788 /nfs/dbraw/zinc/96/97/88/1066969788.db2.gz BJLFWQSKODXAHT-VWLOTQADSA-N 1 1 538.113 4.675 40 0 KJABMO COc1cc(C(=S)N2CC[NH+](C)CC2)cc(Br)c1OCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000409249530 1066985495 /nfs/dbraw/zinc/98/54/95/1066985495.db2.gz JNDXCYAMWGXDGI-UHFFFAOYSA-N 1 1 547.302 4.705 40 0 KJABMO CC(C)CNS(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 ZINC000409250446 1066985200 /nfs/dbraw/zinc/98/52/00/1066985200.db2.gz LWMHWNOOSHTGNZ-UHFFFAOYSA-N 1 1 556.128 4.587 40 0 KJABMO CCOc1cc(C(=S)N2CC[NH+](C)CC2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1C ZINC000409253301 1066343088 /nfs/dbraw/zinc/34/30/88/1066343088.db2.gz BHDBTHKIPXVQQE-UHFFFAOYSA-N 1 1 540.911 4.750 40 0 KJABMO CC[NH+]1CCN(C(=S)c2cc(Cl)c(OCC(=O)Nc3cccc(C(F)(F)F)c3)c(OC)c2)CC1 ZINC000409253693 1066991287 /nfs/dbraw/zinc/99/12/87/1066991287.db2.gz GLHNQJJVBNVSIE-UHFFFAOYSA-N 1 1 515.985 4.698 40 0 KJABMO CCOc1cc(C(=S)N2CC[NH+](CC)CC2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1 ZINC000409253969 1066990667 /nfs/dbraw/zinc/99/06/67/1066990667.db2.gz HDNDSCFEVZSBBD-UHFFFAOYSA-N 1 1 540.911 4.832 40 0 KJABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(=O)Nc1cccc(Cl)c1 ZINC000409254861 1066989573 /nfs/dbraw/zinc/98/95/73/1066989573.db2.gz JGCZLGAEMRLOCY-UHFFFAOYSA-N 1 1 510.059 4.859 40 0 KJABMO CCOc1cc(C(=S)N2CC[NH+](CC)CC2)cc(Br)c1OCC(=O)Nc1ccc(CC)cc1 ZINC000409254875 1066989630 /nfs/dbraw/zinc/98/96/30/1066989630.db2.gz JGKLWRVTNKAHMF-UHFFFAOYSA-N 1 1 534.520 4.741 40 0 KJABMO CCOc1ccc(NC(=O)COc2ccc(C(=S)N3CC[NH+](Cc4ccccc4)CC3)cc2OC)cc1 ZINC000409255382 1066341574 /nfs/dbraw/zinc/34/15/74/1066341574.db2.gz JXLOINYEODCDMW-UHFFFAOYSA-N 1 1 519.667 4.605 40 0 KJABMO CCOc1ccc(NC(=O)COc2ccc(C(=S)N3CC[NH+](Cc4ccccc4)CC3)cc2OCC)cc1 ZINC000409256018 1066988674 /nfs/dbraw/zinc/98/86/74/1066988674.db2.gz NKHDIYDNJIUZBN-UHFFFAOYSA-N 1 1 533.694 4.995 40 0 KJABMO CCOc1cc(C(=S)N2CC[NH+](CC)CC2)cc(Br)c1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409256833 1066988151 /nfs/dbraw/zinc/98/81/51/1066988151.db2.gz QFHKDCQSXGIQOS-UHFFFAOYSA-N 1 1 534.520 4.795 40 0 KJABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409257793 1067002802 /nfs/dbraw/zinc/00/28/02/1067002802.db2.gz QGOVPUKXPMMUQP-UHFFFAOYSA-N 1 1 503.668 4.823 40 0 KJABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409257903 1067002522 /nfs/dbraw/zinc/00/25/22/1067002522.db2.gz UIZLPKYLFOPDDV-UHFFFAOYSA-N 1 1 503.668 4.823 40 0 KJABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409258796 1067002085 /nfs/dbraw/zinc/00/20/85/1067002085.db2.gz VYYMMMXARYYMOQ-UHFFFAOYSA-N 1 1 503.668 4.823 40 0 KJABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409258857 1067001861 /nfs/dbraw/zinc/00/18/61/1067001861.db2.gz VTFIGAZFIMBHNB-UHFFFAOYSA-N 1 1 554.510 4.969 40 0 KJABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(=O)Nc1ccccc1C ZINC000409259205 1067001564 /nfs/dbraw/zinc/00/15/64/1067001564.db2.gz XFFBAQRUESUXCQ-UHFFFAOYSA-N 1 1 503.668 4.905 40 0 KJABMO CCc1ccc(NC(=O)COc2ccc(C(=S)N3CC[NH+](Cc4ccccc4)CC3)cc2OC)cc1 ZINC000409260363 1067000845 /nfs/dbraw/zinc/00/08/45/1067000845.db2.gz PGVKJOAXGTYMPE-UHFFFAOYSA-N 1 1 503.668 4.768 40 0 KJABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000409260883 1066345515 /nfs/dbraw/zinc/34/55/15/1066345515.db2.gz XZYPWDHGDZYSBW-UHFFFAOYSA-N 1 1 503.668 4.823 40 0 KJABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409261094 1066999944 /nfs/dbraw/zinc/99/99/44/1066999944.db2.gz BBHBWHZCNYRUFH-UHFFFAOYSA-N 1 1 503.668 4.905 40 0 KJABMO CCc1ccccc1NC(=O)COc1ccc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000409261567 1066999008 /nfs/dbraw/zinc/99/90/08/1066999008.db2.gz DBJXOFMETOYKAZ-UHFFFAOYSA-N 1 1 503.668 4.768 40 0 KJABMO CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000409261595 1066998973 /nfs/dbraw/zinc/99/89/73/1066998973.db2.gz DYMDOBPHNNYKQX-UHFFFAOYSA-N 1 1 519.711 4.630 40 0 KJABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000409263642 1066997286 /nfs/dbraw/zinc/99/72/86/1066997286.db2.gz LVLJOVNGRPLKSQ-UHFFFAOYSA-N 1 1 507.631 4.735 40 0 KJABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409264366 1066996760 /nfs/dbraw/zinc/99/67/60/1066996760.db2.gz FEYDOBGRODMDQE-UHFFFAOYSA-N 1 1 510.059 4.859 40 0 KJABMO CC[NH+]1CCN(C(=S)c2cc(Br)c(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)CC1 ZINC000409264937 1066995954 /nfs/dbraw/zinc/99/59/54/1066995954.db2.gz LVLBGSFNLKTUHT-UHFFFAOYSA-N 1 1 540.911 4.750 40 0 KJABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000409265652 1066344092 /nfs/dbraw/zinc/34/40/92/1066344092.db2.gz NFFNMRDLMLVSNU-UHFFFAOYSA-N 1 1 510.059 4.859 40 0 KJABMO COc1cc(C(=S)N2CC[NH+](C)CC2)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000409266086 1066995107 /nfs/dbraw/zinc/99/51/07/1066995107.db2.gz ONKUJODJRWBDAW-UHFFFAOYSA-N 1 1 547.302 4.705 40 0 KJABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(=O)Nc1c(C)cccc1C ZINC000409266378 1066994464 /nfs/dbraw/zinc/99/44/64/1066994464.db2.gz WHMCWKPJGQZUPR-UHFFFAOYSA-N 1 1 503.668 4.823 40 0 KJABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc(Cl)c1OCC(=O)Nc1ccccc1F ZINC000409266520 1066994620 /nfs/dbraw/zinc/99/46/20/1066994620.db2.gz ZINLDZDEMVVPIA-UHFFFAOYSA-N 1 1 528.049 4.999 40 0 KJABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000409266932 1066994569 /nfs/dbraw/zinc/99/45/69/1066994569.db2.gz ZCXNFRSBTJBGLX-UHFFFAOYSA-N 1 1 554.510 4.969 40 0 KJABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000409267584 1067010118 /nfs/dbraw/zinc/01/01/18/1067010118.db2.gz OGJQNUYRSDFDRA-UHFFFAOYSA-N 1 1 510.059 4.859 40 0 KJABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(=O)Nc1ccc(OC)cc1 ZINC000409267840 1067009726 /nfs/dbraw/zinc/00/97/26/1067009726.db2.gz WOSMXIOMCJYDLN-UHFFFAOYSA-N 1 1 519.667 4.605 40 0 KJABMO COc1cc(C(=S)N2CC[NH+](C)CC2)cc(Br)c1OCC(=O)Nc1cccc(Cl)c1Cl ZINC000409267953 1067009705 /nfs/dbraw/zinc/00/97/05/1067009705.db2.gz YGFMGLLYVFBHCS-UHFFFAOYSA-N 1 1 547.302 4.705 40 0 KJABMO CC[NH+]1CCN(C(=S)c2cc(Br)c(OCC(=O)Nc3c(C)cc(C)cc3C)c(OC)c2)CC1 ZINC000409268963 1067008353 /nfs/dbraw/zinc/00/83/53/1067008353.db2.gz BZMWTAOXCWRNLX-UHFFFAOYSA-N 1 1 534.520 4.713 40 0 KJABMO CC[NH+]1CCN(C(=S)c2cc(Br)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)CC1 ZINC000409269139 1067008434 /nfs/dbraw/zinc/00/84/34/1067008434.db2.gz FVYBPBDIRYGVRC-UHFFFAOYSA-N 1 1 540.911 4.750 40 0 KJABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(=O)Nc1cccc(OC)c1 ZINC000409269737 1067007388 /nfs/dbraw/zinc/00/73/88/1067007388.db2.gz MHHBXETYPLMVSC-UHFFFAOYSA-N 1 1 519.667 4.605 40 0 KJABMO CCOc1cc(C(=S)N2CC[NH+](CC)CC2)cc(Br)c1OCC(=O)Nc1cc(C)cc(C)c1 ZINC000409270740 1066346900 /nfs/dbraw/zinc/34/69/00/1066346900.db2.gz HWULQQIUUZYCEJ-UHFFFAOYSA-N 1 1 534.520 4.795 40 0 KJABMO CC[NH+]1CCN(C(=S)c2cc(Br)c(OCC(=O)Nc3cccc(Cl)c3C)c(OC)c2)CC1 ZINC000409270940 1067005736 /nfs/dbraw/zinc/00/57/36/1067005736.db2.gz SBOBHJIJSLIUBQ-UHFFFAOYSA-N 1 1 540.911 4.750 40 0 KJABMO CCOc1cc(C(=S)N2CC[NH+](CC)CC2)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C ZINC000409271214 1067005490 /nfs/dbraw/zinc/00/54/90/1067005490.db2.gz KPEYMTRGSOILPS-UHFFFAOYSA-N 1 1 534.520 4.795 40 0 KJABMO CCOc1cc(C(=S)N2CC[NH+](C)CC2)cc(Br)c1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000409271723 1067004863 /nfs/dbraw/zinc/00/48/63/1067004863.db2.gz WGQHXGOJMPWDOO-UHFFFAOYSA-N 1 1 534.520 4.713 40 0 KJABMO CCOc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409272326 1066347649 /nfs/dbraw/zinc/34/76/49/1066347649.db2.gz PQFCBQGQHHSEHY-UHFFFAOYSA-N 1 1 503.668 4.905 40 0 KJABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 ZINC000409272517 1067003692 /nfs/dbraw/zinc/00/36/92/1067003692.db2.gz ZJCWODVAGUONTG-UHFFFAOYSA-N 1 1 528.049 4.999 40 0 KJABMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000409272858 1067015680 /nfs/dbraw/zinc/01/56/80/1067015680.db2.gz SYJYWJGNJQGVJV-UHFFFAOYSA-N 1 1 503.668 4.823 40 0 KJABMO COc1ccc(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000409326846 1067044331 /nfs/dbraw/zinc/04/43/31/1067044331.db2.gz FHRMBPZGQLHIGL-UHFFFAOYSA-N 1 1 573.690 4.963 40 0 KJABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N[C@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000409334965 1067051606 /nfs/dbraw/zinc/05/16/06/1067051606.db2.gz JHLVEQNRXLKIPH-HSZRJFAPSA-N 1 1 518.035 4.875 40 0 KJABMO C=C1[NH+]=C(SCC(=O)Nc2ccc(C)c(Cl)c2)N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000409334971 1067051536 /nfs/dbraw/zinc/05/15/36/1067051536.db2.gz JHLVEQNRXLKIPH-QHCPKHFHSA-N 1 1 518.035 4.875 40 0 KJABMO C=C1[NH+]=C(SCc2cc(OC)ccc2OC)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000409336742 1067056063 /nfs/dbraw/zinc/05/60/63/1067056063.db2.gz QDNKBIWUWHKXIG-HSZRJFAPSA-N 1 1 516.616 4.500 40 0 KJABMO C=C1[NH+]=C(SCc2cc(OC)ccc2OC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000409336745 1067056028 /nfs/dbraw/zinc/05/60/28/1067056028.db2.gz QDNKBIWUWHKXIG-QHCPKHFHSA-N 1 1 516.616 4.500 40 0 KJABMO CN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000409362321 1067080471 /nfs/dbraw/zinc/08/04/71/1067080471.db2.gz UDRDEHWMIQIGOG-UHFFFAOYSA-N 1 1 569.727 4.820 40 0 KJABMO COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)cc1 ZINC000409387031 1067094153 /nfs/dbraw/zinc/09/41/53/1067094153.db2.gz NCJGXODOIHIWNA-UHFFFAOYSA-N 1 1 571.699 4.809 40 0 KJABMO Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000409389071 1067108881 /nfs/dbraw/zinc/10/88/81/1067108881.db2.gz LTZQEPMSWRSQFK-UHFFFAOYSA-N 1 1 561.748 4.919 40 0 KJABMO C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000409390754 1067106961 /nfs/dbraw/zinc/10/69/61/1067106961.db2.gz LIAZPALWIJDPLX-IBGZPJMESA-N 1 1 532.493 4.594 40 0 KJABMO C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000409390756 1067106751 /nfs/dbraw/zinc/10/67/51/1067106751.db2.gz LIAZPALWIJDPLX-LJQANCHMSA-N 1 1 532.493 4.594 40 0 KJABMO O=C([C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000409391079 1067106291 /nfs/dbraw/zinc/10/62/91/1067106291.db2.gz ZVOOGXBSWYCIRK-RUZDIDTESA-N 1 1 582.564 4.784 40 0 KJABMO O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000409391080 1067106304 /nfs/dbraw/zinc/10/63/04/1067106304.db2.gz ZVOOGXBSWYCIRK-VWLOTQADSA-N 1 1 582.564 4.784 40 0 KJABMO COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)cc1Cl ZINC000409393516 1066366032 /nfs/dbraw/zinc/36/60/32/1066366032.db2.gz XJHCPSSAQBAOEV-RUZDIDTESA-N 1 1 568.139 4.683 40 0 KJABMO COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C2)cc1Cl ZINC000409393518 1066366005 /nfs/dbraw/zinc/36/60/05/1066366005.db2.gz XJHCPSSAQBAOEV-VWLOTQADSA-N 1 1 568.139 4.683 40 0 KJABMO CS(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1Cl ZINC000409410826 1067132516 /nfs/dbraw/zinc/13/25/16/1067132516.db2.gz QRNHHXJNJGISLT-UHFFFAOYSA-N 1 1 532.493 4.693 40 0 KJABMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000409411043 1067132433 /nfs/dbraw/zinc/13/24/33/1067132433.db2.gz SSJRNPOIRVKHTD-UHFFFAOYSA-N 1 1 532.493 4.842 40 0 KJABMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000409411199 1067131662 /nfs/dbraw/zinc/13/16/62/1067131662.db2.gz URJZGZJDBASTGZ-UHFFFAOYSA-N 1 1 573.690 4.963 40 0 KJABMO Cc1ccccc1C[N@H+]1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)NCc2ccccn2)C(=O)C1 ZINC000514287334 1066510450 /nfs/dbraw/zinc/51/04/50/1066510450.db2.gz KVDKXJWYZYJGRP-NIZYNMJSSA-N 1 1 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