smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name FC(F)(F)Oc1ccc(Nc2cc[nH+]c3cc(Cl)ccc23)cc1 ZINC000000032570 563211800 /nfs/dbraw/zinc/21/18/00/563211800.db2.gz OJAURKNHTQRPOD-UHFFFAOYSA-N 1 2 338.716 5.530 50 0 EKAALO Cc1ccc(Nc2cc(Nc3ccc(C)c(C)c3)[nH+]c(C)n2)cc1C ZINC000000045126 209388429 /nfs/dbraw/zinc/38/84/29/209388429.db2.gz CNICKQPBJFYBRG-UHFFFAOYSA-N 1 2 332.451 5.506 50 0 EKAALO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1Nc1ccccc1C ZINC000000071908 201429534 /nfs/dbraw/zinc/42/95/34/201429534.db2.gz VNAOFDBLSCLUAZ-UHFFFAOYSA-N 1 2 334.419 5.080 50 0 EKAALO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1Nc1cccc(C)c1 ZINC000000071912 563974381 /nfs/dbraw/zinc/97/43/81/563974381.db2.gz HXIQEXALCYFXNZ-UHFFFAOYSA-N 1 2 334.419 5.080 50 0 EKAALO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1Nc1ccc(C)cc1 ZINC000000071914 563974392 /nfs/dbraw/zinc/97/43/92/563974392.db2.gz OUZXHDLASNTREI-UHFFFAOYSA-N 1 2 334.419 5.080 50 0 EKAALO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1Nc1ccc(C)c(C)c1 ZINC000000071915 563215501 /nfs/dbraw/zinc/21/55/01/563215501.db2.gz PJEDPLMRFFIUJK-UHFFFAOYSA-N 1 2 348.446 5.389 50 0 EKAALO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1Nc1cccc(C)c1C ZINC000000071918 563215840 /nfs/dbraw/zinc/21/58/40/563215840.db2.gz UHNCDOWYMACXHP-UHFFFAOYSA-N 1 2 348.446 5.389 50 0 EKAALO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1Nc1ccc(C)cc1C ZINC000000071920 563974388 /nfs/dbraw/zinc/97/43/88/563974388.db2.gz XLTAITUSJGAVTC-UHFFFAOYSA-N 1 2 348.446 5.389 50 0 EKAALO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1Nc1ccccc1CC ZINC000000071923 563974402 /nfs/dbraw/zinc/97/44/02/563974402.db2.gz NVDNLDXAFGBALK-UHFFFAOYSA-N 1 2 348.446 5.334 50 0 EKAALO CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1Nc1ccc(CC)cc1 ZINC000000071945 563215859 /nfs/dbraw/zinc/21/58/59/563215859.db2.gz WCTLGRVVSNLKEN-UHFFFAOYSA-N 1 2 348.446 5.334 50 0 EKAALO Brc1cccc(-c2[nH+]c(-c3ccccc3)c3ccccn32)c1 ZINC000000077769 563217505 /nfs/dbraw/zinc/21/75/05/563217505.db2.gz IGHSSVXIDFBMQD-UHFFFAOYSA-N 1 2 349.231 5.431 50 0 EKAALO Cc1cc(-c2csc(Nc3ccc([NH+](C)C)cc3)n2)ccc1F ZINC000000090743 563976543 /nfs/dbraw/zinc/97/65/43/563976543.db2.gz JFOWDXGZVWZIMK-UHFFFAOYSA-N 1 2 327.428 5.067 50 0 EKAALO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1Nc1ccc(CC)cc1 ZINC000000097610 209417332 /nfs/dbraw/zinc/41/73/32/209417332.db2.gz FARAZWKZTQOCDT-UHFFFAOYSA-N 1 2 334.419 5.026 50 0 EKAALO O=C(Nc1c2ccccc2[nH+]c2c1CCCC2)c1ccccc1Cl ZINC000000099758 563981726 /nfs/dbraw/zinc/98/17/26/563981726.db2.gz ABHDZRGWDRRBLM-UHFFFAOYSA-N 1 2 336.822 5.019 50 0 EKAALO Clc1ccc2c(Nc3ccc(Oc4ccccc4)cc3)cc[nH+]c2c1 ZINC000000103506 563986175 /nfs/dbraw/zinc/98/61/75/563986175.db2.gz SVTGXFPSZUSYLC-UHFFFAOYSA-N 1 2 346.817 6.424 50 0 EKAALO COc1cccc2c(Nc3cccc(C(F)(F)F)c3)cc(C)[nH+]c12 ZINC000000107242 209425476 /nfs/dbraw/zinc/42/54/76/209425476.db2.gz HLNMYXRDFBTURY-UHFFFAOYSA-N 1 2 332.325 5.314 50 0 EKAALO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1Nc1cccc(Cl)c1 ZINC000000141416 563987105 /nfs/dbraw/zinc/98/71/05/563987105.db2.gz FGGZSADJRUWLIC-UHFFFAOYSA-N 1 2 340.810 5.117 50 0 EKAALO CCOC(=O)c1c[nH+]c2ccc(C)cc2c1Nc1ccc(Cl)cc1 ZINC000000141418 563987101 /nfs/dbraw/zinc/98/71/01/563987101.db2.gz YLXSLFPADVJBLX-UHFFFAOYSA-N 1 2 340.810 5.117 50 0 EKAALO Cc1sc2ncnc(Nc3ccc([NH+]4CCCCC4)cc3)c2c1C ZINC000000144692 563905960 /nfs/dbraw/zinc/90/59/60/563905960.db2.gz BXKYOUADEDOHNT-UHFFFAOYSA-N 1 2 338.480 5.042 50 0 EKAALO Cc1ccccc1Nc1c(-c2c[nH]c3ccccc23)[nH+]c2ccccn21 ZINC000000201195 563988358 /nfs/dbraw/zinc/98/83/58/563988358.db2.gz YWGJQKYOSRHSJV-UHFFFAOYSA-N 1 2 338.414 5.535 50 0 EKAALO Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)[nH+]c3ccccn32)cc1 ZINC000000201197 563988369 /nfs/dbraw/zinc/98/83/69/563988369.db2.gz QPILWJOHUKOXBF-UHFFFAOYSA-N 1 2 338.414 5.535 50 0 aggregator EKAALO Fc1ccc(Nc2c(-c3c[nH]c4ccccc34)[nH+]c3ccccn32)cc1 ZINC000000201200 563988380 /nfs/dbraw/zinc/98/83/80/563988380.db2.gz DRJOYFGLFAVNPU-UHFFFAOYSA-N 1 2 342.377 5.365 50 0 EKAALO CCn1c2ccccc2n2cc(-c3ccc(-c4ccccc4)cc3)[nH+]c21 ZINC000000305777 563277818 /nfs/dbraw/zinc/27/78/18/563277818.db2.gz VSBOZNKIAITSMO-UHFFFAOYSA-N 1 2 337.426 5.643 50 0 EKAALO CCOC(=O)c1ccc(Nc2cc(C)c3c(C)cc(C)cc3[nH+]2)cc1 ZINC000000307770 563917300 /nfs/dbraw/zinc/91/73/00/563917300.db2.gz JJXLYTSHKCQCBI-UHFFFAOYSA-N 1 2 334.419 5.080 50 0 EKAALO Cc1ccc2cc(C)c(Nc3ccc(Br)cc3)[nH+]c2c1 ZINC000000312096 563281370 /nfs/dbraw/zinc/28/13/70/563281370.db2.gz WIHCNPYUUPPCBB-UHFFFAOYSA-N 1 2 327.225 5.358 50 0 EKAALO Clc1ccc2[nH+]c(-c3cccs3)c(NCc3ccccc3)n2c1 ZINC000000319698 563991143 /nfs/dbraw/zinc/99/11/43/563991143.db2.gz LBYGRRWZZIVEDR-UHFFFAOYSA-N 1 2 339.851 5.328 50 0 EKAALO Clc1ccc2[nH+]c(-c3cccs3)c(NC3CCCCC3)n2c1 ZINC000000319967 563991190 /nfs/dbraw/zinc/99/11/90/563991190.db2.gz MMTZCSRMHNGFMK-UHFFFAOYSA-N 1 2 331.872 5.461 50 0 EKAALO Cc1cc2[nH+]c(-c3cccs3)c(NC3CCCCC3)n2c(C)c1 ZINC000000319994 563991173 /nfs/dbraw/zinc/99/11/73/563991173.db2.gz UXDFDKAOUFRJJR-UHFFFAOYSA-N 1 2 325.481 5.424 50 0 EKAALO Cc1cccc(-c2[nH+]c3ccccn3c2Nc2c(C)cccc2C)c1 ZINC000000320426 563991091 /nfs/dbraw/zinc/99/10/91/563991091.db2.gz MDFHNELTEFCDBF-UHFFFAOYSA-N 1 2 327.431 5.670 50 0 EKAALO Cc1cccc(C)c1Nc1c(-c2ccccc2)[nH+]c2cccc(C)n21 ZINC000000320427 563991081 /nfs/dbraw/zinc/99/10/81/563991081.db2.gz BDBNMNZPPKEODQ-UHFFFAOYSA-N 1 2 327.431 5.670 50 0 EKAALO Cc1ccc2[nH+]c(-c3ccccc3)c(Nc3c(C)cccc3C)n2c1 ZINC000000320498 563991077 /nfs/dbraw/zinc/99/10/77/563991077.db2.gz ZFOIYVGEKZVIAQ-UHFFFAOYSA-N 1 2 327.431 5.670 50 0 EKAALO Cc1ccc2[nH+]c(-c3cccc(F)c3)c(Nc3c(C)cccc3C)n2c1 ZINC000000320509 563991066 /nfs/dbraw/zinc/99/10/66/563991066.db2.gz BGFVTVNZFFLREV-UHFFFAOYSA-N 1 2 345.421 5.809 50 0 EKAALO Cc1cccc(-c2[nH+]c3ccc(C)cn3c2Nc2c(C)cccc2C)c1 ZINC000000320511 563991079 /nfs/dbraw/zinc/99/10/79/563991079.db2.gz WXJBBYSAUXEJJV-UHFFFAOYSA-N 1 2 341.458 5.979 50 0 EKAALO Cc1cccc2[nH+]c(-c3cccs3)c(NC(C)(C)CC(C)(C)C)n21 ZINC000000320667 563991175 /nfs/dbraw/zinc/99/11/75/563991175.db2.gz WIXVYJMNPIXQLZ-UHFFFAOYSA-N 1 2 341.524 5.998 50 0 EKAALO Cc1ccn2c(c1)[nH+]c(-c1cccs1)c2NC(C)(C)CC(C)(C)C ZINC000000320672 563991064 /nfs/dbraw/zinc/99/10/64/563991064.db2.gz GCIZOQNXTYNRMH-UHFFFAOYSA-N 1 2 341.524 5.998 50 0 EKAALO CCOc1ccc([NH2+]CCC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000000409545 209572552 /nfs/dbraw/zinc/57/25/52/209572552.db2.gz MIFJOJCWIDHDEN-UHFFFAOYSA-N 1 2 338.234 5.077 50 0 EKAALO Cc1ccc2[nH+]c(-c3c[nH]c4ccccc34)c(Nc3ccccc3)n2c1 ZINC000000426767 201470807 /nfs/dbraw/zinc/47/08/07/201470807.db2.gz WCKUXFTXDQKKSK-UHFFFAOYSA-N 1 2 338.414 5.535 50 0 EKAALO Cc1ccn2c(c1)[nH+]c(-c1c[nH]c3ccccc13)c2Nc1ccccc1 ZINC000000426776 563998618 /nfs/dbraw/zinc/99/86/18/563998618.db2.gz QPBMAJXYQIHLEN-UHFFFAOYSA-N 1 2 338.414 5.535 50 0 EKAALO Cc1ccc2[nH+]c(-c3ccsc3)c(Nc3c(C)cccc3C)n2c1 ZINC000000426787 563998633 /nfs/dbraw/zinc/99/86/33/563998633.db2.gz HWNXVZUDBJZXCW-UHFFFAOYSA-N 1 2 333.460 5.732 50 0 EKAALO Cc1ccn2c(c1)[nH+]c(-c1ccsc1)c2Nc1c(C)cccc1C ZINC000000426789 563998603 /nfs/dbraw/zinc/99/86/03/563998603.db2.gz FRYIXWBMVLUMFM-UHFFFAOYSA-N 1 2 333.460 5.732 50 0 aggregator EKAALO Cc1cccc(C)c1Nc1c(-c2ccccc2F)[nH+]c2ccccn21 ZINC000000426790 563998601 /nfs/dbraw/zinc/99/86/01/563998601.db2.gz BLXTWJXLSNSZAX-UHFFFAOYSA-N 1 2 331.394 5.501 50 0 EKAALO Cc1ccc2[nH+]c(-c3ccccc3F)c(Nc3c(C)cccc3C)n2c1 ZINC000000426791 563998628 /nfs/dbraw/zinc/99/86/28/563998628.db2.gz PBCAWVNPSZTFHT-UHFFFAOYSA-N 1 2 345.421 5.809 50 0 EKAALO Cc1ccn2c(c1)[nH+]c(-c1cccs1)c2Nc1c(C)cccc1C ZINC000000426793 209590311 /nfs/dbraw/zinc/59/03/11/209590311.db2.gz ABRJRLFKSYOWOT-UHFFFAOYSA-N 1 2 333.460 5.732 50 0 EKAALO Cc1ccc2[nH+]c(-c3cccs3)c(Nc3c(C)cccc3C)n2c1 ZINC000000426794 563998610 /nfs/dbraw/zinc/99/86/10/563998610.db2.gz RWSLTXBMOOYZMS-UHFFFAOYSA-N 1 2 333.460 5.732 50 0 EKAALO Cc1ccc2[nH+]c(-c3ccccc3)c(Nc3ccc(Cl)cc3)n2c1 ZINC000000426797 563998622 /nfs/dbraw/zinc/99/86/22/563998622.db2.gz LGUWXKSLAIMZNT-UHFFFAOYSA-N 1 2 333.822 5.707 50 0 EKAALO Cc1ccc2[nH+]c(-c3cccs3)c(Nc3ccc(Cl)cc3)n2c1 ZINC000000426798 563998612 /nfs/dbraw/zinc/99/86/12/563998612.db2.gz YZCFSZVFDLYSMN-UHFFFAOYSA-N 1 2 339.851 5.768 50 0 EKAALO Cc1ccc2[nH+]c(-c3ccsc3)c(Nc3ccc(Cl)cc3)n2c1 ZINC000000426799 563998625 /nfs/dbraw/zinc/99/86/25/563998625.db2.gz OFVSJBUKVZZBCL-UHFFFAOYSA-N 1 2 339.851 5.768 50 0 EKAALO COc1ccc(-c2[nH+]c3ccccn3c2Nc2ccc(Cl)cc2)cc1 ZINC000000426801 563998597 /nfs/dbraw/zinc/99/85/97/563998597.db2.gz VNDDDXAJFXIUGT-UHFFFAOYSA-N 1 2 349.821 5.407 50 0 EKAALO Cc1ccc2[nH+]c(-c3ccc(O)cc3)c(Nc3ccc(Cl)cc3)n2c1 ZINC000000426805 563998620 /nfs/dbraw/zinc/99/86/20/563998620.db2.gz QRLKDFHSDKYFBT-UHFFFAOYSA-N 1 2 349.821 5.412 50 0 EKAALO Cc1ccn2c(c1)[nH+]c(-c1cccs1)c2Nc1ccc(C(C)C)cc1 ZINC000000427500 563998687 /nfs/dbraw/zinc/99/86/87/563998687.db2.gz ZQIGPHJCLUTRFS-UHFFFAOYSA-N 1 2 347.487 6.238 50 0 EKAALO Cc1ccn2c(c1)[nH+]c(-c1cccnc1)c2Nc1ccc(C(C)C)cc1 ZINC000000427501 563998677 /nfs/dbraw/zinc/99/86/77/563998677.db2.gz QIDLUIOASJTNDD-UHFFFAOYSA-N 1 2 342.446 5.572 50 0 EKAALO Cc1ccn2c(c1)[nH+]c(-c1ccsc1)c2Nc1ccc(C(C)C)cc1 ZINC000000427504 563998701 /nfs/dbraw/zinc/99/87/01/563998701.db2.gz XBWYFYDBIICMIS-UHFFFAOYSA-N 1 2 347.487 6.238 50 0 EKAALO Cc1ccc2[nH+]c(-c3cccs3)c(Nc3ccc(C(C)C)cc3)n2c1 ZINC000000427507 563998715 /nfs/dbraw/zinc/99/87/15/563998715.db2.gz BTUZZQAWGAPRQV-UHFFFAOYSA-N 1 2 347.487 6.238 50 0 EKAALO Cc1ccc2[nH+]c(-c3cccnc3)c(Nc3ccc(C(C)C)cc3)n2c1 ZINC000000427508 563998755 /nfs/dbraw/zinc/99/87/55/563998755.db2.gz AYKBKDRFVWMVEA-UHFFFAOYSA-N 1 2 342.446 5.572 50 0 EKAALO Cc1ccc2[nH+]c(-c3ccncc3)c(Nc3ccc(C(C)C)cc3)n2c1 ZINC000000427509 209592947 /nfs/dbraw/zinc/59/29/47/209592947.db2.gz HCRBDNYTUYCOFE-UHFFFAOYSA-N 1 2 342.446 5.572 50 0 EKAALO Cc1ccc2[nH+]c(-c3ccsc3)c(Nc3ccc(C(C)C)cc3)n2c1 ZINC000000427512 563998703 /nfs/dbraw/zinc/99/87/03/563998703.db2.gz QOHMBDGDDHZINW-UHFFFAOYSA-N 1 2 347.487 6.238 50 0 EKAALO Cc1cccc2[nH+]c(-c3cccs3)c(Nc3ccc(C(C)C)cc3)n21 ZINC000000427515 563998709 /nfs/dbraw/zinc/99/87/09/563998709.db2.gz VHRHPJYDGLCKTC-UHFFFAOYSA-N 1 2 347.487 6.238 50 0 EKAALO Cc1cccc2[nH+]c(-c3cccnc3)c(Nc3ccc(C(C)C)cc3)n21 ZINC000000427516 563998745 /nfs/dbraw/zinc/99/87/45/563998745.db2.gz PNOHHIWHMPIGRK-UHFFFAOYSA-N 1 2 342.446 5.572 50 0 EKAALO Cc1cccc2[nH+]c(-c3ccsc3)c(Nc3ccc(C(C)C)cc3)n21 ZINC000000427517 563998743 /nfs/dbraw/zinc/99/87/43/563998743.db2.gz RYPHSIFYTXHDNK-UHFFFAOYSA-N 1 2 347.487 6.238 50 0 EKAALO Clc1ccc2[nH+]c(-c3cccs3)c(Nc3ccccc3)n2c1 ZINC000000427518 563998747 /nfs/dbraw/zinc/99/87/47/563998747.db2.gz OJDLQHHQLZTBLR-UHFFFAOYSA-N 1 2 325.824 5.460 50 0 EKAALO Cc1ccccc1Nc1c(-c2cccs2)[nH+]c2ccc(Cl)cn21 ZINC000000427519 563998727 /nfs/dbraw/zinc/99/87/27/563998727.db2.gz UERGEVHRRLNVLH-UHFFFAOYSA-N 1 2 339.851 5.768 50 0 EKAALO Cc1ccc(Nc2c(-c3cccs3)[nH+]c3ccc(Cl)cn32)cc1 ZINC000000427520 563998759 /nfs/dbraw/zinc/99/87/59/563998759.db2.gz BZUQOFDDKKFGIG-UHFFFAOYSA-N 1 2 339.851 5.768 50 0 EKAALO Cc1ccccc1Nc1c(-c2ccsc2)[nH+]c2ccc(Cl)cn21 ZINC000000427521 563998725 /nfs/dbraw/zinc/99/87/25/563998725.db2.gz ZFYAMSSKJIUNGJ-UHFFFAOYSA-N 1 2 339.851 5.768 50 0 EKAALO Cc1ccc(Nc2c(-c3ccsc3)[nH+]c3ccc(Cl)cn32)cc1 ZINC000000427522 563998729 /nfs/dbraw/zinc/99/87/29/563998729.db2.gz HWSMBISUXICWMI-UHFFFAOYSA-N 1 2 339.851 5.768 50 0 EKAALO Cc1cccn2c(Nc3ccccc3C)c(-c3ccccc3O)[nH+]c12 ZINC000000427523 563998741 /nfs/dbraw/zinc/99/87/41/563998741.db2.gz JLCJVLSPLVEMBN-UHFFFAOYSA-N 1 2 329.403 5.067 50 0 EKAALO Cc1ccc(-c2[nH+]c3ccc(Cl)cn3c2Nc2ccccc2C)cc1 ZINC000000427524 563998749 /nfs/dbraw/zinc/99/87/49/563998749.db2.gz VWBCSGXVBPDELV-UHFFFAOYSA-N 1 2 347.849 6.015 50 0 EKAALO Cc1ccc(-c2[nH+]c3ccc(C)cn3c2Nc2ccccc2C)cc1 ZINC000000427525 563998737 /nfs/dbraw/zinc/99/87/37/563998737.db2.gz NVAFREWUCXBRRQ-UHFFFAOYSA-N 1 2 327.431 5.670 50 0 EKAALO Cc1ccn2c(c1)[nH+]c(-c1cccc(O)c1)c2Nc1ccccc1C ZINC000000427527 563998707 /nfs/dbraw/zinc/99/87/07/563998707.db2.gz GCVXYHNMPRHWJZ-UHFFFAOYSA-N 1 2 329.403 5.067 50 0 EKAALO Cc1ccccc1Nc1c(-c2cccc(O)c2)[nH+]c2cccc(C)n21 ZINC000000427528 563998757 /nfs/dbraw/zinc/99/87/57/563998757.db2.gz YVHBMLFYCUCBDF-UHFFFAOYSA-N 1 2 329.403 5.067 50 0 EKAALO Cc1ccccc1Nc1c(-c2ccc(Cl)s2)[nH+]c2ccccn21 ZINC000000427529 563998705 /nfs/dbraw/zinc/99/87/05/563998705.db2.gz RGINTPKFIJYYEW-UHFFFAOYSA-N 1 2 339.851 5.768 50 0 EKAALO Cc1ccccc1Nc1c(-c2ccccc2)[nH+]c2ccc(Cl)cn21 ZINC000000427531 563998723 /nfs/dbraw/zinc/99/87/23/563998723.db2.gz FCCHDVMXDQFBES-UHFFFAOYSA-N 1 2 333.822 5.707 50 0 EKAALO COc1ccc(-c2[nH+]c3cccc(C)n3c2Nc2ccccc2C)cc1 ZINC000000427532 563998751 /nfs/dbraw/zinc/99/87/51/563998751.db2.gz OSCYYCIWUCRHJY-UHFFFAOYSA-N 1 2 343.430 5.370 50 0 EKAALO Cc1ccccc1Nc1c(-c2ccc(N(C)C)cc2)[nH+]c2ccccn21 ZINC000000427535 563998731 /nfs/dbraw/zinc/99/87/31/563998731.db2.gz SXUOMENIHANYCJ-UHFFFAOYSA-N 1 2 342.446 5.119 50 0 EKAALO Cc1cccn2c(Nc3ccccc3C)c(-c3ccc(O)cc3)[nH+]c12 ZINC000000427540 563998733 /nfs/dbraw/zinc/99/87/33/563998733.db2.gz QIYPLGBZYZVPDK-UHFFFAOYSA-N 1 2 329.403 5.067 50 0 EKAALO Cc1ccc(-c2[nH+]c3c(C)cccn3c2Nc2ccccc2C)cc1 ZINC000000427542 563998739 /nfs/dbraw/zinc/99/87/39/563998739.db2.gz CEOTVXDFRXIJEJ-UHFFFAOYSA-N 1 2 327.431 5.670 50 0 EKAALO Cc1ccc(-c2[nH+]c3cc(C)ccn3c2Nc2ccccc2C)cc1 ZINC000000427543 563998717 /nfs/dbraw/zinc/99/87/17/563998717.db2.gz XSHWWHIZFHZNSY-UHFFFAOYSA-N 1 2 327.431 5.670 50 0 EKAALO Cc1ccc(-c2[nH+]c3cccc(C)n3c2Nc2ccccc2C)cc1 ZINC000000427544 563998735 /nfs/dbraw/zinc/99/87/35/563998735.db2.gz VJYVKASOLCLQGO-UHFFFAOYSA-N 1 2 327.431 5.670 50 0 EKAALO COc1ccc(-c2[nH+]c3ccccn3c2Nc2ccccc2C)cc1 ZINC000000427545 563998713 /nfs/dbraw/zinc/99/87/13/563998713.db2.gz IXUPVXDHARHNGG-UHFFFAOYSA-N 1 2 329.403 5.062 50 0 EKAALO Cc1ccccc1Nc1c(-c2cccc(Cl)c2)[nH+]c2ccccn21 ZINC000000427546 563998711 /nfs/dbraw/zinc/99/87/11/563998711.db2.gz WYIMIEZNTGADTR-UHFFFAOYSA-N 1 2 333.822 5.707 50 0 EKAALO Cc1ccccc1Nc1c(-c2ccc(Cl)cc2)[nH+]c2ccccn21 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/nfs/dbraw/zinc/32/39/10/210323910.db2.gz UNNXZBHRLNKUKJ-UHFFFAOYSA-N 1 2 339.851 5.768 50 0 EKAALO Cc1ccc(Nc2c(-c3ccc(O)cc3)[nH+]c3c(C)cccn23)cc1 ZINC000004921843 210324036 /nfs/dbraw/zinc/32/40/36/210324036.db2.gz KPRSGDIGCGTRAS-UHFFFAOYSA-N 1 2 329.403 5.067 50 0 EKAALO Cc1ccc(-c2[nH+]c3cc(C)ccn3c2Nc2ccc(C)cc2)s1 ZINC000004921878 210324598 /nfs/dbraw/zinc/32/45/98/210324598.db2.gz OBPQYXRSTVBIGG-UHFFFAOYSA-N 1 2 333.460 5.732 50 0 EKAALO Cc1ccc(-c2[nH+]c3cccc(C)n3c2Nc2ccc(C)cc2)s1 ZINC000004921916 563992541 /nfs/dbraw/zinc/99/25/41/563992541.db2.gz DBINJLYGWDRSDQ-UHFFFAOYSA-N 1 2 333.460 5.732 50 0 EKAALO COc1cc2cc(C)[nH+]c(Cc3cccc4ccccc43)c2cc1OC ZINC000005128901 210396089 /nfs/dbraw/zinc/39/60/89/210396089.db2.gz LARRBIMKFGTXKQ-UHFFFAOYSA-N 1 2 343.426 5.304 50 0 EKAALO CN(C)P(Cc1ccccc1)(Cc1ccccc1)=[NH+]c1ccccc1 ZINC000005257737 564005861 /nfs/dbraw/zinc/00/58/61/564005861.db2.gz GCZJWQMBXHLXEA-UHFFFAOYSA-N 1 2 348.430 6.396 50 0 EKAALO Fc1ccc([C@H]2C[C@@H](c3ccccc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005459999 564004337 /nfs/dbraw/zinc/00/43/37/564004337.db2.gz VBKSOZNDTKACTA-CTNGQTDRSA-N 1 2 343.405 5.322 50 0 EKAALO Fc1ccc([C@H]2C[C@H](c3ccccc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005460006 564004314 /nfs/dbraw/zinc/00/43/14/564004314.db2.gz VBKSOZNDTKACTA-TZIWHRDSSA-N 1 2 343.405 5.322 50 0 EKAALO Fc1ccc([C@@H]2C[C@@H](c3ccccc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005460014 564004309 /nfs/dbraw/zinc/00/43/09/564004309.db2.gz VBKSOZNDTKACTA-FPOVZHCZSA-N 1 2 343.405 5.322 50 0 EKAALO Fc1ccc([C@@H]2C[C@H](c3ccccc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000005460019 564004334 /nfs/dbraw/zinc/00/43/34/564004334.db2.gz VBKSOZNDTKACTA-PZJWPPBQSA-N 1 2 343.405 5.322 50 0 EKAALO Cc1cccc([C@@H]2C[C@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)c1 ZINC000005460544 564004330 /nfs/dbraw/zinc/00/43/30/564004330.db2.gz JODARZCEMDAPQP-IRLDBZIGSA-N 1 2 339.442 5.491 50 0 EKAALO Cc1cccc([C@H]2C[C@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)c1 ZINC000005460550 564004407 /nfs/dbraw/zinc/00/44/07/564004407.db2.gz JODARZCEMDAPQP-IFMALSPDSA-N 1 2 339.442 5.491 50 0 EKAALO Cc1cccc([C@@H]2C[C@@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)c1 ZINC000005460555 564004432 /nfs/dbraw/zinc/00/44/32/564004432.db2.gz JODARZCEMDAPQP-UNMCSNQZSA-N 1 2 339.442 5.491 50 0 EKAALO Cc1cccc([C@H]2C[C@@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)c1 ZINC000005460562 564004434 /nfs/dbraw/zinc/00/44/34/564004434.db2.gz JODARZCEMDAPQP-RBBKRZOGSA-N 1 2 339.442 5.491 50 0 EKAALO Fc1ccccc1[C@H]1C[C@@H](c2ccccc2)Nc2[nH+]c3ccccc3n21 ZINC000005460917 564004430 /nfs/dbraw/zinc/00/44/30/564004430.db2.gz AOVXYPYMNUPSKJ-PZJWPPBQSA-N 1 2 343.405 5.322 50 0 EKAALO Fc1ccccc1[C@H]1C[C@H](c2ccccc2)Nc2[nH+]c3ccccc3n21 ZINC000005460930 564004410 /nfs/dbraw/zinc/00/44/10/564004410.db2.gz AOVXYPYMNUPSKJ-TZIWHRDSSA-N 1 2 343.405 5.322 50 0 EKAALO Fc1ccccc1[C@@H]1C[C@@H](c2ccccc2)Nc2[nH+]c3ccccc3n21 ZINC000005460938 564004440 /nfs/dbraw/zinc/00/44/40/564004440.db2.gz AOVXYPYMNUPSKJ-FPOVZHCZSA-N 1 2 343.405 5.322 50 0 EKAALO Fc1ccccc1[C@@H]1C[C@H](c2ccccc2)Nc2[nH+]c3ccccc3n21 ZINC000005460949 564004423 /nfs/dbraw/zinc/00/44/23/564004423.db2.gz AOVXYPYMNUPSKJ-CTNGQTDRSA-N 1 2 343.405 5.322 50 0 EKAALO CC(C)(C)[P@@](=[NH+]c1ccccc1)(c1ccncc1)N1CCCC1 ZINC000005496438 564004717 /nfs/dbraw/zinc/00/47/17/564004717.db2.gz ZONRKGPKRWCDCY-HSZRJFAPSA-N 1 2 327.412 5.049 50 0 EKAALO CC(C)(C)[P@](=[NH+]c1ccccc1)(c1ccncc1)N1CCCC1 ZINC000005496508 564004736 /nfs/dbraw/zinc/00/47/36/564004736.db2.gz ZONRKGPKRWCDCY-QHCPKHFHSA-N 1 2 327.412 5.049 50 0 EKAALO c1coc(C[NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)c1 ZINC000005515746 210478405 /nfs/dbraw/zinc/47/84/05/210478405.db2.gz AIXHBIVSVNVLBR-UHFFFAOYSA-N 1 2 339.438 5.361 50 0 EKAALO Cc1ccc(OCCCn2c(CC(C)(C)C)[nH+]c3ccccc32)cc1 ZINC000005545658 564005206 /nfs/dbraw/zinc/00/52/06/564005206.db2.gz BQGCZZLHGYXGTN-UHFFFAOYSA-N 1 2 336.479 5.402 50 0 EKAALO CCCCC(=O)Nc1c2ccccc2[nH+]c(CCCC)c1CCC ZINC000005764850 568418099 /nfs/dbraw/zinc/41/80/99/568418099.db2.gz 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564013259 /nfs/dbraw/zinc/01/32/59/564013259.db2.gz UFYJQMFHAFEVJM-POLXVDLBSA-N 1 2 346.499 5.572 50 0 EKAALO c1c(-c2ccccc2)n(CCC2=CCCCC2)c2[nH+]c3ccccc3n12 ZINC000006584360 564092315 /nfs/dbraw/zinc/09/23/15/564092315.db2.gz LWCJZYAQJLMHLU-UHFFFAOYSA-N 1 2 341.458 5.847 50 0 EKAALO Cc1cccc(C)c1Nc1c(-c2ccccc2)[nH+]c2ccc(Cl)cn21 ZINC000006663807 564095656 /nfs/dbraw/zinc/09/56/56/564095656.db2.gz GANCRQUPTXULOF-UHFFFAOYSA-N 1 2 347.849 6.015 50 0 EKAALO CCc1[nH+]c2ccccc2n1CCCOc1cc(C)ccc1C(C)C ZINC000006752646 564097200 /nfs/dbraw/zinc/09/72/00/564097200.db2.gz FTKDLDXPNJPQBE-UHFFFAOYSA-N 1 2 336.479 5.500 50 0 EKAALO CCc1[nH+]c2ccccc2n1CCCCOc1ccc(Cl)cc1 ZINC000006752649 564097219 /nfs/dbraw/zinc/09/72/19/564097219.db2.gz DEBHVKFZPPFSIG-UHFFFAOYSA-N 1 2 328.843 5.111 50 0 EKAALO CCCc1[nH+]c2ccccc2n1CCCCOc1ccc(Cl)cc1 ZINC000006752653 564097195 /nfs/dbraw/zinc/09/71/95/564097195.db2.gz PIHWWOIDMQWWQO-UHFFFAOYSA-N 1 2 342.870 5.501 50 0 EKAALO COc1ccc2c(c1)[nH+]c(N1CCCCCC1)cc2-c1ccccc1 ZINC000006784784 564097687 /nfs/dbraw/zinc/09/76/87/564097687.db2.gz QXBZXRMLGLIVAP-UHFFFAOYSA-N 1 2 332.447 5.291 50 0 EKAALO COc1ccc2[nH+]c(C)cc(Oc3ccc(Br)cc3)c2c1 ZINC000006831699 564099180 /nfs/dbraw/zinc/09/91/80/564099180.db2.gz SWKSGRKCHOLPFJ-UHFFFAOYSA-N 1 2 344.208 5.107 50 0 EKAALO Cl/C(=C\c1ccc(-n2cc[nH+]c2)cc1)c1nc2ccccc2s1 ZINC000007132706 258052850 /nfs/dbraw/zinc/05/28/50/258052850.db2.gz ROEXIOYZWQKLRG-PTNGSMBKSA-N 1 2 337.835 5.219 50 0 EKAALO c1nc(C[NH2+]C(c2ccccc2)c2ccccc2)oc1-c1ccccc1 ZINC000007448232 564108610 /nfs/dbraw/zinc/10/86/10/564108610.db2.gz BOAPPVGODPPUSE-UHFFFAOYSA-N 1 2 340.426 5.221 50 0 EKAALO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000007922419 564125479 /nfs/dbraw/zinc/12/54/79/564125479.db2.gz ORAQKWYIVQSOGA-LBPRGKRZSA-N 1 2 339.489 5.099 50 0 EKAALO C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000007922419 564125478 /nfs/dbraw/zinc/12/54/78/564125478.db2.gz ORAQKWYIVQSOGA-LBPRGKRZSA-N 1 2 339.489 5.099 50 0 EKAALO C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cc1nc2ccccc2s1 ZINC000007922420 564125486 /nfs/dbraw/zinc/12/54/86/564125486.db2.gz ORAQKWYIVQSOGA-GFCCVEGCSA-N 1 2 339.489 5.099 50 0 EKAALO C[C@H](c1nc2ccccc2s1)[N@H+](C)Cc1nc2ccccc2s1 ZINC000007922420 564125485 /nfs/dbraw/zinc/12/54/85/564125485.db2.gz ORAQKWYIVQSOGA-GFCCVEGCSA-N 1 2 339.489 5.099 50 0 EKAALO c1ccc2oc(C[N@H+]3CCCC[C@@H]3c3nc4ccccc4s3)nc2c1 ZINC000008005163 564162081 /nfs/dbraw/zinc/16/20/81/564162081.db2.gz GXVZOGNZUSUTQF-MRXNPFEDSA-N 1 2 349.459 5.165 50 0 EKAALO c1ccc2oc(C[N@@H+]3CCCC[C@@H]3c3nc4ccccc4s3)nc2c1 ZINC000008005163 564162080 /nfs/dbraw/zinc/16/20/80/564162080.db2.gz GXVZOGNZUSUTQF-MRXNPFEDSA-N 1 2 349.459 5.165 50 0 EKAALO c1ccc2oc(C[N@H+]3CCCC[C@H]3c3nc4ccccc4s3)nc2c1 ZINC000008005165 564162073 /nfs/dbraw/zinc/16/20/73/564162073.db2.gz GXVZOGNZUSUTQF-INIZCTEOSA-N 1 2 349.459 5.165 50 0 EKAALO c1ccc2oc(C[N@@H+]3CCCC[C@H]3c3nc4ccccc4s3)nc2c1 ZINC000008005165 564162072 /nfs/dbraw/zinc/16/20/72/564162072.db2.gz 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563660490 /nfs/dbraw/zinc/66/04/90/563660490.db2.gz IWPPXFPVHUECIL-UHFFFAOYSA-N 1 2 333.262 5.734 50 0 EKAALO CCCCCc1[nH+]c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000012419882 211374465 /nfs/dbraw/zinc/37/44/65/211374465.db2.gz QIZOJKOLXGGKJP-UHFFFAOYSA-N 1 2 347.289 6.124 50 0 EKAALO Cc1ccccc1OCCCn1c(CC(C)(C)C)[nH+]c2ccccc21 ZINC000012463132 211389635 /nfs/dbraw/zinc/38/96/35/211389635.db2.gz HYGYJOVABCGVHY-UHFFFAOYSA-N 1 2 336.479 5.402 50 0 EKAALO Cn1c(-c2ccccc2)cn2c1[nH+]c(-c1ccccc1)c2-c1ccccc1 ZINC000012523697 564058130 /nfs/dbraw/zinc/05/81/30/564058130.db2.gz INRFCBCLFUTECF-UHFFFAOYSA-N 1 2 349.437 5.674 50 0 EKAALO CCCc1[nH+]c2ccccc2n1Cc1cccc(Oc2ccccc2)c1 ZINC000012538299 564058481 /nfs/dbraw/zinc/05/84/81/564058481.db2.gz LUPARHULUCZFDB-UHFFFAOYSA-N 1 2 342.442 5.829 50 0 EKAALO COc1ccc2c(C)cc(Nc3ccc(SC(F)F)cc3)[nH+]c2c1 ZINC000012564539 564059671 /nfs/dbraw/zinc/05/96/71/564059671.db2.gz FTXWBIXOPRZSCI-UHFFFAOYSA-N 1 2 346.402 5.610 50 0 EKAALO COc1ccc2c(C)cc(Nc3cc(C)c(Cl)cc3OC)[nH+]c2c1 ZINC000012564573 564059687 /nfs/dbraw/zinc/05/96/87/564059687.db2.gz XJSSRPRKLFKAKX-UHFFFAOYSA-N 1 2 342.826 5.266 50 0 EKAALO Cc1c2cc3c(cc2[nH+]c2c1CCCCCCCCCC2)OCO3 ZINC000012565813 564059700 /nfs/dbraw/zinc/05/97/00/564059700.db2.gz OTCJLQXMUUAUTG-UHFFFAOYSA-N 1 2 325.452 5.491 50 0 EKAALO Cc1cccn2cc(COc3cc(Cl)c(Cl)cc3Cl)[nH+]c12 ZINC000012585149 564060132 /nfs/dbraw/zinc/06/01/32/564060132.db2.gz DSPVDGASYDAPCT-UHFFFAOYSA-N 1 2 341.625 5.182 50 0 EKAALO CC(C)c1[nH+]c2ccccc2n1Cc1cccc(Oc2ccccc2)c1 ZINC000012620250 564060725 /nfs/dbraw/zinc/06/07/25/564060725.db2.gz BORGKJCSMPUEBV-UHFFFAOYSA-N 1 2 342.442 6.000 50 0 EKAALO c1ccc([C@@H]2C[C@@H](c3ccccc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000013122674 563689006 /nfs/dbraw/zinc/68/90/06/563689006.db2.gz KOZJZPGTYYNRAE-FPOVZHCZSA-N 1 2 325.415 5.183 50 0 EKAALO c1ccc([C@H]2C[C@@H](c3ccccc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000013122675 563688997 /nfs/dbraw/zinc/68/89/97/563688997.db2.gz KOZJZPGTYYNRAE-CTNGQTDRSA-N 1 2 325.415 5.183 50 0 EKAALO c1ccc([C@H]2C[C@@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000013122676 563688953 /nfs/dbraw/zinc/68/89/53/563688953.db2.gz KOZJZPGTYYNRAE-PZJWPPBQSA-N 1 2 325.415 5.183 50 0 EKAALO c1ccc([C@H]2C[C@H](c3ccccc3)n3c4ccccc4[nH+]c3N2)cc1 ZINC000013122677 563688904 /nfs/dbraw/zinc/68/89/04/563688904.db2.gz KOZJZPGTYYNRAE-TZIWHRDSSA-N 1 2 325.415 5.183 50 0 EKAALO CCCCn1c2ccccc2[nH+]c1NCc1cccc2ccccc21 ZINC000013510987 563700298 /nfs/dbraw/zinc/70/02/98/563700298.db2.gz UDHABFXZOIZQAY-UHFFFAOYSA-N 1 2 329.447 5.602 50 0 EKAALO CCCCCCn1c2ccccc2[nH+]c1NCc1c[nH]c2ccccc12 ZINC000013711718 563715262 /nfs/dbraw/zinc/71/52/62/563715262.db2.gz PLBUJRWGVGWGRA-UHFFFAOYSA-N 1 2 346.478 5.710 50 0 EKAALO CCCCCn1c2ccccc2[nH+]c1NCc1c[nH]c2ccccc12 ZINC000013712876 563715327 /nfs/dbraw/zinc/71/53/27/563715327.db2.gz DFCQUQCLNNINEJ-UHFFFAOYSA-N 1 2 332.451 5.320 50 0 EKAALO CCCCN(CCCC)c1[nH]c(-c2ccccc2)c(-c2ccccc2)[nH+]1 ZINC000013751239 563720856 /nfs/dbraw/zinc/72/08/56/563720856.db2.gz CAAOAVSUOXGGOE-UHFFFAOYSA-N 1 2 347.506 6.150 50 0 EKAALO CCCCCC[C@@H](C)[NH2+]c1ccc(N[C@@H](C)CCCCCC)cc1 ZINC000014807143 563764975 /nfs/dbraw/zinc/76/49/75/563764975.db2.gz APTGHASZJUAUCP-BGYRXZFFSA-N 1 2 332.576 7.228 50 0 EKAALO CCCCCC[C@@H](C)Nc1ccc([NH2+][C@@H](C)CCCCCC)cc1 ZINC000014807143 563764971 /nfs/dbraw/zinc/76/49/71/563764971.db2.gz APTGHASZJUAUCP-BGYRXZFFSA-N 1 2 332.576 7.228 50 0 EKAALO Nc1cc2c3c(c1)[C@H](c1ccccc1)CC[N@@H+]3CC[C@@H]2c1ccccc1 ZINC000015162561 563779187 /nfs/dbraw/zinc/77/91/87/563779187.db2.gz KNQQKKJIUATUAK-OYRHEFFESA-N 1 2 340.470 5.146 50 0 EKAALO Nc1cc2c3c(c1)[C@H](c1ccccc1)CC[N@H+]3CC[C@@H]2c1ccccc1 ZINC000015162561 563779185 /nfs/dbraw/zinc/77/91/85/563779185.db2.gz KNQQKKJIUATUAK-OYRHEFFESA-N 1 2 340.470 5.146 50 0 EKAALO C[C@@H]([NH2+]Cc1nc2ccccc2s1)c1ccc(Cl)cc1Cl ZINC000015447490 564024249 /nfs/dbraw/zinc/02/42/49/564024249.db2.gz HOYKDNKVTLGNMT-SNVBAGLBSA-N 1 2 337.275 5.454 50 0 EKAALO C[C@H]([NH2+]Cc1nc2ccccc2s1)c1ccc(Cl)cc1Cl ZINC000015447491 564024255 /nfs/dbraw/zinc/02/42/55/564024255.db2.gz HOYKDNKVTLGNMT-JTQLQIEISA-N 1 2 337.275 5.454 50 0 EKAALO Clc1cccc(Cl)c1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000016477808 563812460 /nfs/dbraw/zinc/81/24/60/563812460.db2.gz IZBVOPUJRPTBEI-UHFFFAOYSA-N 1 2 342.269 5.873 50 0 EKAALO Cc1cc(NCCc2c[nH]c3ccccc23)[nH+]c2cc(Cl)ccc12 ZINC000016667983 563917989 /nfs/dbraw/zinc/91/79/89/563917989.db2.gz HMDYKUFFWUHULR-UHFFFAOYSA-N 1 2 335.838 5.333 50 0 EKAALO CCCCCC/[NH+]=c1/cc(-c2ccc(OC)cc2)oc2ccc(C)cc21 ZINC000018089077 564085671 /nfs/dbraw/zinc/08/56/71/564085671.db2.gz JMFFJYUVKPJFFS-FLFQWRMESA-N 1 2 349.474 5.898 50 0 EKAALO Cc1ccc(C2N(Cc3ccccc3)CC[N@H+]2Cc2ccccc2)cc1 ZINC000019321698 202004625 /nfs/dbraw/zinc/00/46/25/202004625.db2.gz ZCPNQALQAWTVSS-UHFFFAOYSA-N 1 2 342.486 5.012 50 0 EKAALO Cc1ccc(C2N(Cc3ccccc3)CC[N@@H+]2Cc2ccccc2)cc1 ZINC000019321698 202004623 /nfs/dbraw/zinc/00/46/23/202004623.db2.gz ZCPNQALQAWTVSS-UHFFFAOYSA-N 1 2 342.486 5.012 50 0 EKAALO Cc1ccc(C2N(Cc3ccccc3)CC[N@H+]2Cc2ccccc2)s1 ZINC000019323734 212015734 /nfs/dbraw/zinc/01/57/34/212015734.db2.gz IYYJKTNSUICJAS-UHFFFAOYSA-N 1 2 348.515 5.073 50 0 EKAALO Cc1ccc(C2N(Cc3ccccc3)CC[N@@H+]2Cc2ccccc2)s1 ZINC000019323734 212015731 /nfs/dbraw/zinc/01/57/31/212015731.db2.gz IYYJKTNSUICJAS-UHFFFAOYSA-N 1 2 348.515 5.073 50 0 EKAALO Cc1ccccc1C1N(Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000019323990 212015070 /nfs/dbraw/zinc/01/50/70/212015070.db2.gz RLLJUXGXYPBIQA-UHFFFAOYSA-N 1 2 342.486 5.012 50 0 EKAALO Cc1ccccc1C1N(Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000019323990 212015067 /nfs/dbraw/zinc/01/50/67/212015067.db2.gz RLLJUXGXYPBIQA-UHFFFAOYSA-N 1 2 342.486 5.012 50 0 EKAALO Cc1cccc(C2N(Cc3ccccc3)CC[N@H+]2Cc2ccccc2)c1 ZINC000019324037 212015383 /nfs/dbraw/zinc/01/53/83/212015383.db2.gz QEVJDYLORUHVLU-UHFFFAOYSA-N 1 2 342.486 5.012 50 0 EKAALO Cc1cccc(C2N(Cc3ccccc3)CC[N@@H+]2Cc2ccccc2)c1 ZINC000019324037 212015381 /nfs/dbraw/zinc/01/53/81/212015381.db2.gz QEVJDYLORUHVLU-UHFFFAOYSA-N 1 2 342.486 5.012 50 0 EKAALO Cc1ccsc1C1N(Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000019324277 212015278 /nfs/dbraw/zinc/01/52/78/212015278.db2.gz DXHYIVXIGALARX-UHFFFAOYSA-N 1 2 348.515 5.073 50 0 EKAALO Cc1ccsc1C1N(Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000019324277 212015277 /nfs/dbraw/zinc/01/52/77/212015277.db2.gz DXHYIVXIGALARX-UHFFFAOYSA-N 1 2 348.515 5.073 50 0 EKAALO Cc1cc(NCCc2cccc(Cl)c2)[nH+]c2cc(Cl)ccc12 ZINC000019720627 212058505 /nfs/dbraw/zinc/05/85/05/212058505.db2.gz MTPAVUHLUBXBQE-UHFFFAOYSA-N 1 2 331.246 5.505 50 0 EKAALO Cc1cc(NCCc2ccccc2Cl)[nH+]c2cc(Cl)ccc12 ZINC000019720692 212058336 /nfs/dbraw/zinc/05/83/36/212058336.db2.gz QZHVLGSKEOPWPD-UHFFFAOYSA-N 1 2 331.246 5.505 50 0 EKAALO Cc1ccccc1CC[NH2+]c1ccc(OCCc2ccccc2)cc1 ZINC000019738294 202018138 /nfs/dbraw/zinc/01/81/38/202018138.db2.gz KSJHPDFLVAMRKI-UHFFFAOYSA-N 1 2 331.459 5.271 50 0 EKAALO c1ccc(CCC[NH2+]c2ccc(OCCC3CCCCC3)cc2)cc1 ZINC000019738561 212059975 /nfs/dbraw/zinc/05/99/75/212059975.db2.gz IWSUAVDYSVRDEI-UHFFFAOYSA-N 1 2 337.507 6.081 50 0 EKAALO Clc1cc(Cl)c2c(c1)C=C1CCCC[C@]1([NH+]1CCCCC1)O2 ZINC000019770658 212063456 /nfs/dbraw/zinc/06/34/56/212063456.db2.gz RTKAPRCEVJCYGI-SFHVURJKSA-N 1 2 338.278 5.525 50 0 EKAALO Clc1cc(Cl)c2c(c1)C=C1CCCC[C@@]1([NH+]1CCCCC1)O2 ZINC000019770659 212062816 /nfs/dbraw/zinc/06/28/16/212062816.db2.gz RTKAPRCEVJCYGI-GOSISDBHSA-N 1 2 338.278 5.525 50 0 EKAALO Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc[nH+]1)c1ccc(F)cc1 ZINC000019789791 212066285 /nfs/dbraw/zinc/06/62/85/212066285.db2.gz ZFRJMYJZSKWEDL-NRFANRHFSA-N 1 2 331.394 5.212 50 0 EKAALO Cc1[nH]c2ccccc2c1[C@H](Nc1cccc[nH+]1)c1ccc(F)cc1 ZINC000019789793 202021041 /nfs/dbraw/zinc/02/10/41/202021041.db2.gz ZFRJMYJZSKWEDL-OAQYLSRUSA-N 1 2 331.394 5.212 50 0 EKAALO Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000019790445 212068208 /nfs/dbraw/zinc/06/82/08/212068208.db2.gz IFOHRIXRQPOHQZ-NRFANRHFSA-N 1 2 347.849 5.726 50 0 in-vitro EKAALO Cc1[nH]c2ccccc2c1[C@H](Nc1cccc[nH+]1)c1ccc(Cl)cc1 ZINC000019790446 212068272 /nfs/dbraw/zinc/06/82/72/212068272.db2.gz IFOHRIXRQPOHQZ-OAQYLSRUSA-N 1 2 347.849 5.726 50 0 in-vitro EKAALO Cc1ccc(-c2cc(Nc3ccc([NH+]4CCCC4)cc3)nc(C)n2)cc1 ZINC000019822016 212072627 /nfs/dbraw/zinc/07/26/27/212072627.db2.gz WMLIFLVSTBQZNY-UHFFFAOYSA-N 1 2 344.462 5.104 50 0 EKAALO C[C@H]1C(=O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000019851448 212075999 /nfs/dbraw/zinc/07/59/99/212075999.db2.gz HZJRRCMQPKSHRC-FRVJLOGJSA-N 1 2 348.273 5.220 50 0 EKAALO C[C@H]1C(=O)[C@@H](C)[C@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000019851456 212076579 /nfs/dbraw/zinc/07/65/79/212076579.db2.gz HZJRRCMQPKSHRC-FVEFGIFQSA-N 1 2 348.273 5.220 50 0 EKAALO Fc1cccc(Cl)c1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000019871674 202024268 /nfs/dbraw/zinc/02/42/68/202024268.db2.gz JATLPCOUVWPKNJ-UHFFFAOYSA-N 1 2 325.814 5.358 50 0 EKAALO Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc[nH+]1)c1cccc(F)c1 ZINC000019879360 212078430 /nfs/dbraw/zinc/07/84/30/212078430.db2.gz FLKMWFWTSZVEMZ-NRFANRHFSA-N 1 2 331.394 5.212 50 0 EKAALO Cc1[nH]c2ccccc2c1[C@H](Nc1cccc[nH+]1)c1cccc(F)c1 ZINC000019879362 212079009 /nfs/dbraw/zinc/07/90/09/212079009.db2.gz FLKMWFWTSZVEMZ-OAQYLSRUSA-N 1 2 331.394 5.212 50 0 EKAALO COc1cccc([C@@H](Nc2cccc[nH+]2)c2c(C)[nH]c3ccccc32)c1 ZINC000019879370 212079050 /nfs/dbraw/zinc/07/90/50/212079050.db2.gz JHPOKNXDPYFIHU-JOCHJYFZSA-N 1 2 343.430 5.081 50 0 EKAALO COc1cccc([C@H](Nc2cccc[nH+]2)c2c(C)[nH]c3ccccc32)c1 ZINC000019879372 212078699 /nfs/dbraw/zinc/07/86/99/212078699.db2.gz JHPOKNXDPYFIHU-QFIPXVFZSA-N 1 2 343.430 5.081 50 0 EKAALO COc1ccccc1[C@@H](Nc1cccc[nH+]1)c1c(C)[nH]c2ccccc21 ZINC000019879375 212078996 /nfs/dbraw/zinc/07/89/96/212078996.db2.gz WLSLEHXCYQODQL-JOCHJYFZSA-N 1 2 343.430 5.081 50 0 EKAALO COc1ccccc1[C@H](Nc1cccc[nH+]1)c1c(C)[nH]c2ccccc21 ZINC000019879378 212078824 /nfs/dbraw/zinc/07/88/24/212078824.db2.gz WLSLEHXCYQODQL-QFIPXVFZSA-N 1 2 343.430 5.081 50 0 EKAALO Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc[nH+]1)c1ccccc1F ZINC000019879381 212078575 /nfs/dbraw/zinc/07/85/75/212078575.db2.gz VYDANKDLUMDGAT-NRFANRHFSA-N 1 2 331.394 5.212 50 0 EKAALO Cc1[nH]c2ccccc2c1[C@H](Nc1cccc[nH+]1)c1ccccc1F ZINC000019879384 212078415 /nfs/dbraw/zinc/07/84/15/212078415.db2.gz VYDANKDLUMDGAT-OAQYLSRUSA-N 1 2 331.394 5.212 50 0 EKAALO Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000019879399 212078800 /nfs/dbraw/zinc/07/88/00/212078800.db2.gz NMJYNSBYFFOCRI-NRFANRHFSA-N 1 2 347.849 5.726 50 0 EKAALO Cc1[nH]c2ccccc2c1[C@H](Nc1cccc[nH+]1)c1cccc(Cl)c1 ZINC000019879402 202025885 /nfs/dbraw/zinc/02/58/85/202025885.db2.gz NMJYNSBYFFOCRI-OAQYLSRUSA-N 1 2 347.849 5.726 50 0 EKAALO COc1ccc([C@@H](Nc2cccc[nH+]2)c2c(C)[nH]c3ccccc32)cc1 ZINC000019902440 212081837 /nfs/dbraw/zinc/08/18/37/212081837.db2.gz RCIGOSNBBDUIQM-JOCHJYFZSA-N 1 2 343.430 5.081 50 0 EKAALO COc1ccc([C@H](Nc2cccc[nH+]2)c2c(C)[nH]c3ccccc32)cc1 ZINC000019902442 212081801 /nfs/dbraw/zinc/08/18/01/212081801.db2.gz RCIGOSNBBDUIQM-QFIPXVFZSA-N 1 2 343.430 5.081 50 0 EKAALO Cc1[nH]c2ccccc2c1[C@@H](Nc1cccc[nH+]1)c1ccccc1Cl ZINC000020192159 212109204 /nfs/dbraw/zinc/10/92/04/212109204.db2.gz MNFSWWKLCKBJSJ-NRFANRHFSA-N 1 2 347.849 5.726 50 0 EKAALO Cc1[nH]c2ccccc2c1[C@H](Nc1cccc[nH+]1)c1ccccc1Cl ZINC000020192161 212109664 /nfs/dbraw/zinc/10/96/64/212109664.db2.gz MNFSWWKLCKBJSJ-OAQYLSRUSA-N 1 2 347.849 5.726 50 0 EKAALO Cc1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@@H+]2C/C=C/C(C)C)n1 ZINC000020538976 212145598 /nfs/dbraw/zinc/14/55/98/212145598.db2.gz OQWHNOWFIDSSDV-MNQSQUENSA-N 1 2 345.490 5.031 50 0 EKAALO Cc1cccc([C@H]2c3[nH]c4ccccc4c3CC[N@H+]2C/C=C/C(C)C)n1 ZINC000020538976 212145597 /nfs/dbraw/zinc/14/55/97/212145597.db2.gz OQWHNOWFIDSSDV-MNQSQUENSA-N 1 2 345.490 5.031 50 0 EKAALO Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@@H+]2C/C=C/C(C)C)n1 ZINC000020538978 212146271 /nfs/dbraw/zinc/14/62/71/212146271.db2.gz OQWHNOWFIDSSDV-NDEDVSTASA-N 1 2 345.490 5.031 50 0 EKAALO Cc1cccc([C@@H]2c3[nH]c4ccccc4c3CC[N@H+]2C/C=C/C(C)C)n1 ZINC000020538978 212146268 /nfs/dbraw/zinc/14/62/68/212146268.db2.gz OQWHNOWFIDSSDV-NDEDVSTASA-N 1 2 345.490 5.031 50 0 EKAALO O=C(Nc1c2ccccc2[nH+]c2c1CCCC2)c1cccc(Cl)c1 ZINC000020856051 212176993 /nfs/dbraw/zinc/17/69/93/212176993.db2.gz PAXRSKPJHYLAOA-UHFFFAOYSA-N 1 2 336.822 5.019 50 0 EKAALO Cc1cc2[nH+]cn(Cc3ncc(-c4ccc(Cl)cc4)o3)c2cc1C ZINC000021585648 212233127 /nfs/dbraw/zinc/23/31/27/212233127.db2.gz LAJDIDVMZXCMMM-UHFFFAOYSA-N 1 2 337.810 5.010 50 0 EKAALO CCCCOc1ccc(C[N@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1 ZINC000021720304 212244164 /nfs/dbraw/zinc/24/41/64/212244164.db2.gz JEGPTWBAIRQSBB-HXUWFJFHSA-N 1 2 342.483 5.314 50 0 EKAALO CCCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C(C)C)on2)cc1 ZINC000021720304 212244160 /nfs/dbraw/zinc/24/41/60/212244160.db2.gz JEGPTWBAIRQSBB-HXUWFJFHSA-N 1 2 342.483 5.314 50 0 EKAALO CCCCOc1ccc(C[N@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1 ZINC000021720306 212244252 /nfs/dbraw/zinc/24/42/52/212244252.db2.gz JEGPTWBAIRQSBB-FQEVSTJZSA-N 1 2 342.483 5.314 50 0 EKAALO CCCCOc1ccc(C[N@@H+]2CCC[C@H]2c2cc(C(C)C)on2)cc1 ZINC000021720306 212244249 /nfs/dbraw/zinc/24/42/49/212244249.db2.gz JEGPTWBAIRQSBB-FQEVSTJZSA-N 1 2 342.483 5.314 50 0 EKAALO Cc1oc(-c2cccs2)nc1C[NH2+][C@H](C)c1ccccc1Cl ZINC000022358152 563862552 /nfs/dbraw/zinc/86/25/52/563862552.db2.gz OLGBKEDKADKTPD-LLVKDONJSA-N 1 2 332.856 5.216 50 0 EKAALO Cc1oc(-c2cccs2)nc1C[NH2+][C@@H](C)c1ccccc1Cl ZINC000022358153 563862520 /nfs/dbraw/zinc/86/25/20/563862520.db2.gz OLGBKEDKADKTPD-NSHDSACASA-N 1 2 332.856 5.216 50 0 EKAALO Cc1oc(-c2cccs2)nc1C[N@@H+](C)Cc1ccc(Cl)s1 ZINC000022358163 563862890 /nfs/dbraw/zinc/86/28/90/563862890.db2.gz VHRPKAAQBFVUTG-UHFFFAOYSA-N 1 2 338.885 5.058 50 0 EKAALO Cc1oc(-c2cccs2)nc1C[N@H+](C)Cc1ccc(Cl)s1 ZINC000022358163 563862887 /nfs/dbraw/zinc/86/28/87/563862887.db2.gz VHRPKAAQBFVUTG-UHFFFAOYSA-N 1 2 338.885 5.058 50 0 EKAALO CSc1ccc2[nH+]c(NCc3cccc(Cl)c3)cc(C)c2c1 ZINC000023550071 212383374 /nfs/dbraw/zinc/38/33/74/212383374.db2.gz HQHDSCFKJAYWET-UHFFFAOYSA-N 1 2 328.868 5.531 50 0 EKAALO CC[C@H]1c2ccsc2CC[N@@H+]1Cc1nc(-c2cccs2)oc1C ZINC000024097012 563869365 /nfs/dbraw/zinc/86/93/65/563869365.db2.gz WVDQAZHCMBDYNB-HNNXBMFYSA-N 1 2 344.505 5.282 50 0 EKAALO CC[C@H]1c2ccsc2CC[N@H+]1Cc1nc(-c2cccs2)oc1C ZINC000024097012 563869363 /nfs/dbraw/zinc/86/93/63/563869363.db2.gz WVDQAZHCMBDYNB-HNNXBMFYSA-N 1 2 344.505 5.282 50 0 EKAALO CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1nc(-c2cccs2)oc1C ZINC000024097014 563869348 /nfs/dbraw/zinc/86/93/48/563869348.db2.gz WVDQAZHCMBDYNB-OAHLLOKOSA-N 1 2 344.505 5.282 50 0 EKAALO CC[C@@H]1c2ccsc2CC[N@H+]1Cc1nc(-c2cccs2)oc1C ZINC000024097014 563869346 /nfs/dbraw/zinc/86/93/46/563869346.db2.gz WVDQAZHCMBDYNB-OAHLLOKOSA-N 1 2 344.505 5.282 50 0 EKAALO c1ccc([PH+](C2CCCCC2)C2CCCCC2)c(C2OCCO2)c1 ZINC000025757743 202135282 /nfs/dbraw/zinc/13/52/82/202135282.db2.gz DIFRDTMQEINUSG-UHFFFAOYSA-N 1 2 346.451 5.505 50 0 EKAALO C[N@H+]1CCc2nc3ccc(Cl)cc3c(-c3ccccc3Cl)c2C1 ZINC000025777360 563888600 /nfs/dbraw/zinc/88/86/00/563888600.db2.gz KAHPXJATFMUEEE-UHFFFAOYSA-N 1 2 343.257 5.197 50 0 EKAALO C[N@@H+]1CCc2nc3ccc(Cl)cc3c(-c3ccccc3Cl)c2C1 ZINC000025777360 563888598 /nfs/dbraw/zinc/88/85/98/563888598.db2.gz KAHPXJATFMUEEE-UHFFFAOYSA-N 1 2 343.257 5.197 50 0 EKAALO Fc1ccc(Cn2c3ccccc3[nH+]c2CCc2ccccc2)cc1 ZINC000026533461 563892125 /nfs/dbraw/zinc/89/21/25/563892125.db2.gz FCQFVJNRBPLQHB-UHFFFAOYSA-N 1 2 330.406 5.009 50 0 EKAALO Clc1ccc2[nH+]ccc(Nc3cccc(Br)c3)c2c1 ZINC000032605108 202228640 /nfs/dbraw/zinc/22/86/40/202228640.db2.gz URMXOPJBVWSLLM-UHFFFAOYSA-N 1 2 333.616 5.394 50 0 EKAALO C[N@@H+](Cc1csc(-c2ccccc2Cl)n1)Cc1ccc(F)cc1 ZINC000032654955 563676848 /nfs/dbraw/zinc/67/68/48/563676848.db2.gz HYABJEUJSHILHR-UHFFFAOYSA-N 1 2 346.858 5.235 50 0 EKAALO C[N@H+](Cc1csc(-c2ccccc2Cl)n1)Cc1ccc(F)cc1 ZINC000032654955 563676844 /nfs/dbraw/zinc/67/68/44/563676844.db2.gz HYABJEUJSHILHR-UHFFFAOYSA-N 1 2 346.858 5.235 50 0 EKAALO Cc1ccc(Nc2nc(C[NH2+][C@H](C)c3ccccc3F)cs2)cc1 ZINC000032665019 563678281 /nfs/dbraw/zinc/67/82/81/563678281.db2.gz YFNITCKKWKBGHS-CQSZACIVSA-N 1 2 341.455 5.185 50 0 EKAALO Cc1ccc(Nc2nc(C[NH2+][C@@H](C)c3ccccc3F)cs2)cc1 ZINC000032665021 563678313 /nfs/dbraw/zinc/67/83/13/563678313.db2.gz YFNITCKKWKBGHS-AWEZNQCLSA-N 1 2 341.455 5.185 50 0 EKAALO C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000032777566 202234144 /nfs/dbraw/zinc/23/41/44/202234144.db2.gz HHWQSAHIMNZCGI-LLVKDONJSA-N 1 2 335.234 5.328 50 0 EKAALO C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)Cc1nc2ccccc2o1 ZINC000032777566 202234142 /nfs/dbraw/zinc/23/41/42/202234142.db2.gz HHWQSAHIMNZCGI-LLVKDONJSA-N 1 2 335.234 5.328 50 0 EKAALO C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)Cc1nc2ccccc2o1 ZINC000032777567 563728868 /nfs/dbraw/zinc/72/88/68/563728868.db2.gz HHWQSAHIMNZCGI-NSHDSACASA-N 1 2 335.234 5.328 50 0 EKAALO C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)Cc1nc2ccccc2o1 ZINC000032777567 563728867 /nfs/dbraw/zinc/72/88/67/563728867.db2.gz HHWQSAHIMNZCGI-NSHDSACASA-N 1 2 335.234 5.328 50 0 EKAALO Cc1c(C)n(-c2ccccc2)c2nc[nH+]c(Nc3ccc(Cl)cc3)c12 ZINC000032960413 202244955 /nfs/dbraw/zinc/24/49/55/202244955.db2.gz FLHBMZMFSJSXIU-UHFFFAOYSA-N 1 2 348.837 5.434 50 0 EKAALO Cc1c(C)n(-c2ccccc2)c2nc[nH+]c(Nc3ccc(C)c(C)c3)c12 ZINC000032960420 563916470 /nfs/dbraw/zinc/91/64/70/563916470.db2.gz UCPVQNWLFTYDTN-UHFFFAOYSA-N 1 2 342.446 5.398 50 0 EKAALO Cc1c(C)n(-c2ccccc2)c2nc[nH+]c(Nc3cc(C)cc(C)c3)c12 ZINC000032960422 564036342 /nfs/dbraw/zinc/03/63/42/564036342.db2.gz ZASHYZFMENBMRE-UHFFFAOYSA-N 1 2 342.446 5.398 50 0 EKAALO Cc1c(C)n(-c2cccc(F)c2)c2nc[nH+]c(Nc3ccccc3C)c12 ZINC000032960443 563916435 /nfs/dbraw/zinc/91/64/35/563916435.db2.gz NYNDYCHXAAYQCM-UHFFFAOYSA-N 1 2 346.409 5.228 50 0 EKAALO CCC(CC)C(=O)Nc1ccc(CCc2[nH]c3cc(C)ccc3[nH+]2)cc1 ZINC000032960952 202245321 /nfs/dbraw/zinc/24/53/21/202245321.db2.gz SSSBHMAGMSEUTL-UHFFFAOYSA-N 1 2 349.478 5.031 50 0 EKAALO CCC(CC)C(=O)Nc1ccc(CCc2[nH]c3ccc(C)cc3[nH+]2)cc1 ZINC000032960952 202245318 /nfs/dbraw/zinc/24/53/18/202245318.db2.gz SSSBHMAGMSEUTL-UHFFFAOYSA-N 1 2 349.478 5.031 50 0 EKAALO Cc1c(C)n(-c2ccc(F)cc2)c2nc[nH+]c(Nc3ccccc3C)c12 ZINC000033252573 202252773 /nfs/dbraw/zinc/25/27/73/202252773.db2.gz BZOIQEODDQZRJG-UHFFFAOYSA-N 1 2 346.409 5.228 50 0 EKAALO Cc1c(C)n(-c2ccc(F)cc2)c2nc[nH+]c(Nc3ccc(C)cc3)c12 ZINC000033252585 563966079 /nfs/dbraw/zinc/96/60/79/563966079.db2.gz XPGPHKYQMJYWAD-UHFFFAOYSA-N 1 2 346.409 5.228 50 0 EKAALO Cc1c(C)n(-c2ccc(F)cc2)c2nc[nH+]c(Nc3cccc(C)c3)c12 ZINC000033252586 212909725 /nfs/dbraw/zinc/90/97/25/212909725.db2.gz XWOGXUOTEFHDPS-UHFFFAOYSA-N 1 2 346.409 5.228 50 0 EKAALO CCN1c2ccc(C)cc2C=C/C1=C\C=C1/c2ccccc2[NH+]=C1C ZINC000033926801 564000843 /nfs/dbraw/zinc/00/08/43/564000843.db2.gz VEHXALRUWYKXPK-JFUXKBHTSA-N 1 2 326.443 5.922 50 0 EKAALO C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000035170249 213012064 /nfs/dbraw/zinc/01/20/64/213012064.db2.gz HZJRRCMQPKSHRC-GNTOHDJUSA-N 1 2 348.273 5.220 50 0 EKAALO C[C@H]1C(=O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1 ZINC000035170250 213012051 /nfs/dbraw/zinc/01/20/51/213012051.db2.gz HZJRRCMQPKSHRC-CMKMFDCUSA-N 1 2 348.273 5.220 50 0 EKAALO C[C@@H]1C(=O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1 ZINC000035170251 213011773 /nfs/dbraw/zinc/01/17/73/213011773.db2.gz HZJRRCMQPKSHRC-BMEPFDOTSA-N 1 2 348.273 5.220 50 0 EKAALO C[C@H]([NH2+][C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1)c1ccco1 ZINC000035288749 202294286 /nfs/dbraw/zinc/29/42/86/202294286.db2.gz YDKPHNVMKDQZSQ-BTYIYWSLSA-N 1 2 344.414 5.036 50 0 EKAALO C[C@@H]([NH2+][C@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1)c1ccco1 ZINC000035288751 213018423 /nfs/dbraw/zinc/01/84/23/213018423.db2.gz YDKPHNVMKDQZSQ-VFNWGFHPSA-N 1 2 344.414 5.036 50 0 EKAALO C[C@H]([NH2+][C@@H](C(=O)c1c[nH]c2ccccc21)c1ccccc1)c1ccco1 ZINC000035288752 213018091 /nfs/dbraw/zinc/01/80/91/213018091.db2.gz 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213043030 /nfs/dbraw/zinc/04/30/30/213043030.db2.gz WZAGZWVMTBGJTM-UHFFFAOYSA-N 1 2 335.432 5.123 50 0 EKAALO Cc1ccn2c(c1)[nH+]c(-c1ccc(O)cc1)c2Nc1cccc(Cl)c1 ZINC000035616060 213042332 /nfs/dbraw/zinc/04/23/32/213042332.db2.gz XRDDJNLCESOHQK-UHFFFAOYSA-N 1 2 349.821 5.412 50 0 EKAALO COc1ccccc1Nc1c(-c2cccs2)[nH+]c2ccc(C)cn21 ZINC000035616079 213042385 /nfs/dbraw/zinc/04/23/85/213042385.db2.gz IXCHYQOEGNXYAR-UHFFFAOYSA-N 1 2 335.432 5.123 50 0 EKAALO COc1ccccc1Nc1c(-c2cccs2)[nH+]c2cccc(C)n21 ZINC000035616087 213042437 /nfs/dbraw/zinc/04/24/37/213042437.db2.gz DFJPGIJRIRPBTQ-UHFFFAOYSA-N 1 2 335.432 5.123 50 0 EKAALO Cc1ccn2c(c1)[nH+]c(-c1ccccc1O)c2Nc1cccc(Cl)c1 ZINC000035616121 213043006 /nfs/dbraw/zinc/04/30/06/213043006.db2.gz AJVGCHRNDYRCAB-UHFFFAOYSA-N 1 2 349.821 5.412 50 0 EKAALO Oc1ccccc1-c1[nH+]c2ccccn2c1Nc1cccc(Cl)c1 ZINC000035616136 213043085 /nfs/dbraw/zinc/04/30/85/213043085.db2.gz KJXRVGVHYJKJLF-UHFFFAOYSA-N 1 2 335.794 5.104 50 0 EKAALO Cc1ccc2[nH+]c(-c3ccccc3O)c(Nc3cccc(Cl)c3)n2c1 ZINC000035616141 213043111 /nfs/dbraw/zinc/04/31/11/213043111.db2.gz UFNGPPQQEJSDMX-UHFFFAOYSA-N 1 2 349.821 5.412 50 0 EKAALO Cc1ccc2[nH+]c(-c3cccs3)c(Nc3cccc(Cl)c3)n2c1 ZINC000035616178 564129198 /nfs/dbraw/zinc/12/91/98/564129198.db2.gz MPMPRSVIKWRYBE-UHFFFAOYSA-N 1 2 339.851 5.768 50 0 EKAALO Oc1ccc(-c2[nH+]c3ccccn3c2Nc2cccc(Cl)c2)cc1 ZINC000035616206 202307357 /nfs/dbraw/zinc/30/73/57/202307357.db2.gz PWGSDWSOUZVATF-UHFFFAOYSA-N 1 2 335.794 5.104 50 0 EKAALO Cc1ccc2[nH+]c(-c3ccc(O)cc3)c(Nc3cccc(Cl)c3)n2c1 ZINC000035616209 202307279 /nfs/dbraw/zinc/30/72/79/202307279.db2.gz CDLDUCBCABNVEN-UHFFFAOYSA-N 1 2 349.821 5.412 50 0 EKAALO Cc1cccc2[nH+]c(-c3ccc(O)cc3)c(Nc3cccc(Cl)c3)n21 ZINC000035616232 213042443 /nfs/dbraw/zinc/04/24/43/213042443.db2.gz IMDAMLUVWBUCJQ-UHFFFAOYSA-N 1 2 349.821 5.412 50 0 EKAALO Cc1c(Cl)cccc1Nc1c(-c2cccc(O)c2)[nH+]c2ccccn21 ZINC000035616266 213042487 /nfs/dbraw/zinc/04/24/87/213042487.db2.gz 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ZINC000035616292 213042464 /nfs/dbraw/zinc/04/24/64/213042464.db2.gz ZIVCALFTZJZVKZ-UHFFFAOYSA-N 1 2 343.430 5.376 50 0 EKAALO Cc1c(Cl)cccc1Nc1c(-c2ccccc2O)[nH+]c2ccccn21 ZINC000035616296 213042577 /nfs/dbraw/zinc/04/25/77/213042577.db2.gz LCTRPAKWAJIOMD-UHFFFAOYSA-N 1 2 349.821 5.412 50 0 EKAALO Cc1cc(C)cc(Nc2c(-c3ccc(O)cc3)[nH+]c3ccccn32)c1 ZINC000035616302 213042828 /nfs/dbraw/zinc/04/28/28/213042828.db2.gz QTKIENWKQBISSQ-UHFFFAOYSA-N 1 2 329.403 5.067 50 0 EKAALO Cc1ccn2c(c1)[nH+]c(-c1cccc(O)c1)c2Nc1cc(C)cc(C)c1 ZINC000035616304 213042993 /nfs/dbraw/zinc/04/29/93/213042993.db2.gz YBAVZGSFSMHFMV-UHFFFAOYSA-N 1 2 343.430 5.376 50 0 EKAALO Cc1ccc2[nH+]c(-c3cccc(O)c3)c(Nc3cccc(C)c3C)n2c1 ZINC000035616313 213042631 /nfs/dbraw/zinc/04/26/31/213042631.db2.gz HCWUOAVMHPSKQY-UHFFFAOYSA-N 1 2 343.430 5.376 50 0 EKAALO Cc1ccc(Nc2c(-c3cccc(O)c3)[nH+]c3ccccn32)cc1Cl ZINC000035616315 202306898 /nfs/dbraw/zinc/30/68/98/202306898.db2.gz YNBQGNNJUSDARO-UHFFFAOYSA-N 1 2 349.821 5.412 50 0 EKAALO Cc1ccn2c(c1)[nH+]c(-c1ccccc1O)c2Nc1cc(C)cc(C)c1 ZINC000035616356 213042410 /nfs/dbraw/zinc/04/24/10/213042410.db2.gz YNUOZSICNQFUPW-UHFFFAOYSA-N 1 2 343.430 5.376 50 0 EKAALO Cc1ccc(Nc2c(-c3ccc(O)cc3)[nH+]c3ccccn32)cc1Cl ZINC000035616377 213042616 /nfs/dbraw/zinc/04/26/16/213042616.db2.gz QQEBGAJNSSUNEF-UHFFFAOYSA-N 1 2 349.821 5.412 50 0 EKAALO Cc1ccc2[nH+]c(-c3ccc(O)cc3)c(Nc3cc(C)cc(C)c3)n2c1 ZINC000035616451 213042431 /nfs/dbraw/zinc/04/24/31/213042431.db2.gz HBMSPRUHMJLLQE-UHFFFAOYSA-N 1 2 343.430 5.376 50 0 EKAALO Cc1ccc(Nc2c(-c3cccc(O)c3)[nH+]c3ccc(C)cn32)c(C)c1 ZINC000035616464 213042981 /nfs/dbraw/zinc/04/29/81/213042981.db2.gz ZSNIGKAYNFRWGA-UHFFFAOYSA-N 1 2 343.430 5.376 50 0 EKAALO Cc1c(Cl)cccc1Nc1c(-c2ccc(O)cc2)[nH+]c2ccccn21 ZINC000035616529 213042752 /nfs/dbraw/zinc/04/27/52/213042752.db2.gz TVDQOBMPPXPHFI-UHFFFAOYSA-N 1 2 349.821 5.412 50 0 EKAALO Cc1cc(C)cc(Nc2c(-c3cccc(O)c3)[nH+]c3ccccn32)c1 ZINC000035616534 213042194 /nfs/dbraw/zinc/04/21/94/213042194.db2.gz IUJXJLWVFZGDPI-UHFFFAOYSA-N 1 2 329.403 5.067 50 0 EKAALO Cc1ccc(Nc2c(-c3ccccc3O)[nH+]c3ccccn32)cc1Cl ZINC000035622051 202307163 /nfs/dbraw/zinc/30/71/63/202307163.db2.gz TVXJAQZNHWFPKJ-UHFFFAOYSA-N 1 2 349.821 5.412 50 0 EKAALO Cc1ccn2c(c1)[nH+]c(-c1cccc(O)c1)c2Nc1cccc(C)c1C ZINC000035622056 213042369 /nfs/dbraw/zinc/04/23/69/213042369.db2.gz HAYONIKZCQNCQQ-UHFFFAOYSA-N 1 2 343.430 5.376 50 0 EKAALO COc1ccccc1-c1[nH+]c2ccccn2c1Nc1c(C)cccc1C ZINC000035702000 213047497 /nfs/dbraw/zinc/04/74/97/213047497.db2.gz IJGUMHRWYRLVOD-UHFFFAOYSA-N 1 2 343.430 5.370 50 0 EKAALO Cc1cccc(-c2nnc([C@@H](C)[NH2+][C@@H](C)c3ccccc3Cl)o2)c1 ZINC000039990600 202166908 /nfs/dbraw/zinc/16/69/08/202166908.db2.gz DCVFQQZTMWAVQG-UONOGXRCSA-N 1 2 341.842 5.110 50 0 EKAALO Cc1cccc(-c2nnc([C@H](C)[NH2+][C@@H](C)c3ccccc3Cl)o2)c1 ZINC000039990601 213249188 /nfs/dbraw/zinc/24/91/88/213249188.db2.gz DCVFQQZTMWAVQG-KBPBESRZSA-N 1 2 341.842 5.110 50 0 EKAALO Cc1cccc(-c2nnc([C@@H](C)[NH2+][C@H](C)c3ccccc3Cl)o2)c1 ZINC000039990602 213248344 /nfs/dbraw/zinc/24/83/44/213248344.db2.gz DCVFQQZTMWAVQG-ZIAGYGMSSA-N 1 2 341.842 5.110 50 0 EKAALO Cc1cccc(-c2nnc([C@H](C)[NH2+][C@H](C)c3ccccc3Cl)o2)c1 ZINC000039990603 213249284 /nfs/dbraw/zinc/24/92/84/213249284.db2.gz DCVFQQZTMWAVQG-KGLIPLIRSA-N 1 2 341.842 5.110 50 0 EKAALO C[C@H](Nc1nc(N2CCCCCC2)[nH+]c2ccccc21)c1ccccc1 ZINC000041153920 204007716 /nfs/dbraw/zinc/00/77/16/204007716.db2.gz AOGPCTBPDYKBMO-KRWDZBQOSA-N 1 2 346.478 5.183 50 0 EKAALO C[C@@H](Nc1nc(N2CCCCCC2)[nH+]c2ccccc21)c1ccccc1 ZINC000041153923 564173561 /nfs/dbraw/zinc/17/35/61/564173561.db2.gz AOGPCTBPDYKBMO-QGZVFWFLSA-N 1 2 346.478 5.183 50 0 EKAALO c1coc(-c2nc(C[NH2+]C(c3ccccc3)c3ccccc3)cs2)c1 ZINC000042287777 564174796 /nfs/dbraw/zinc/17/47/96/564174796.db2.gz CIHABZRUISRSQJ-UHFFFAOYSA-N 1 2 346.455 5.282 50 0 EKAALO Cc1ccc(-c2nc(C[N@H+](C)Cc3ccc([C@@H]4C[C@@H]4C)o3)cs2)o1 ZINC000048237042 564030169 /nfs/dbraw/zinc/03/01/69/564030169.db2.gz SXNFOWZTVWQJTO-BLLLJJGKSA-N 1 2 342.464 5.060 50 0 EKAALO Cc1ccc(-c2nc(C[N@@H+](C)Cc3ccc([C@@H]4C[C@@H]4C)o3)cs2)o1 ZINC000048237042 564030168 /nfs/dbraw/zinc/03/01/68/564030168.db2.gz SXNFOWZTVWQJTO-BLLLJJGKSA-N 1 2 342.464 5.060 50 0 EKAALO Cc1ccc(-c2nc(C[N@H+](C)Cc3ccc([C@H]4C[C@@H]4C)o3)cs2)o1 ZINC000048237044 564030199 /nfs/dbraw/zinc/03/01/99/564030199.db2.gz SXNFOWZTVWQJTO-LRDDRELGSA-N 1 2 342.464 5.060 50 0 EKAALO Cc1ccc(-c2nc(C[N@@H+](C)Cc3ccc([C@H]4C[C@@H]4C)o3)cs2)o1 ZINC000048237044 564030198 /nfs/dbraw/zinc/03/01/98/564030198.db2.gz SXNFOWZTVWQJTO-LRDDRELGSA-N 1 2 342.464 5.060 50 0 EKAALO Clc1ccccc1[C@@H]1CCC[N@H+]1Cc1coc(-c2cccs2)n1 ZINC000048262083 564030363 /nfs/dbraw/zinc/03/03/63/564030363.db2.gz SOBDFAZIERZEKC-INIZCTEOSA-N 1 2 344.867 5.394 50 0 EKAALO Clc1ccccc1[C@@H]1CCC[N@@H+]1Cc1coc(-c2cccs2)n1 ZINC000048262083 564030362 /nfs/dbraw/zinc/03/03/62/564030362.db2.gz SOBDFAZIERZEKC-INIZCTEOSA-N 1 2 344.867 5.394 50 0 EKAALO Clc1ccccc1[C@H]1CCC[N@H+]1Cc1coc(-c2cccs2)n1 ZINC000048262085 564030348 /nfs/dbraw/zinc/03/03/48/564030348.db2.gz SOBDFAZIERZEKC-MRXNPFEDSA-N 1 2 344.867 5.394 50 0 EKAALO Clc1ccccc1[C@H]1CCC[N@@H+]1Cc1coc(-c2cccs2)n1 ZINC000048262085 564030347 /nfs/dbraw/zinc/03/03/47/564030347.db2.gz SOBDFAZIERZEKC-MRXNPFEDSA-N 1 2 344.867 5.394 50 0 EKAALO Cc1[nH+]c(C)c(Cl)c(Nc2cc(Cl)ccc2Cl)c1Cl ZINC000048533631 563930609 /nfs/dbraw/zinc/93/06/09/563930609.db2.gz BWGOVOBESGTOLZ-UHFFFAOYSA-N 1 2 336.049 6.056 50 0 EKAALO CCC(C)(C)Cc1c[nH+]c(CCc2ccc(-c3ccccn3)cc2)[nH]1 ZINC000049070819 563930661 /nfs/dbraw/zinc/93/06/61/563930661.db2.gz WVAKRQOMAINQPU-UHFFFAOYSA-N 1 2 333.479 5.236 50 0 in-vitro EKAALO CC(C)(C)c1cnc(C[NH2+]C(C)(C)c2cccc(C(F)(F)F)c2)o1 ZINC000057846982 564156176 /nfs/dbraw/zinc/15/61/76/564156176.db2.gz ZCYAGOQHFZEVLR-UHFFFAOYSA-N 1 2 340.389 5.016 50 0 EKAALO Clc1cc(C[N@H+]2CCc3sccc3[C@H]2c2cccs2)ccn1 ZINC000058419396 563945738 /nfs/dbraw/zinc/94/57/38/563945738.db2.gz DUKMTTNRNMBBAA-KRWDZBQOSA-N 1 2 346.908 5.006 50 0 EKAALO Clc1cc(C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)ccn1 ZINC000058419396 563945737 /nfs/dbraw/zinc/94/57/37/563945737.db2.gz DUKMTTNRNMBBAA-KRWDZBQOSA-N 1 2 346.908 5.006 50 0 EKAALO Clc1cc(C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)ccn1 ZINC000058419397 563945681 /nfs/dbraw/zinc/94/56/81/563945681.db2.gz DUKMTTNRNMBBAA-QGZVFWFLSA-N 1 2 346.908 5.006 50 0 EKAALO Clc1cc(C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)ccn1 ZINC000058419397 563945679 /nfs/dbraw/zinc/94/56/79/563945679.db2.gz DUKMTTNRNMBBAA-QGZVFWFLSA-N 1 2 346.908 5.006 50 0 EKAALO Cc1cc(SCc2[nH+]ccn2Cc2ccccc2)nc2ccccc12 ZINC000058670141 564159514 /nfs/dbraw/zinc/15/95/14/564159514.db2.gz CJHBLGHZHHHKIY-UHFFFAOYSA-N 1 2 345.471 5.080 50 0 EKAALO O=C(Nc1ccc2[nH]c(C3CCC3)[nH+]c2c1)c1sccc1C1CC1 ZINC000060332478 563930772 /nfs/dbraw/zinc/93/07/72/563930772.db2.gz MDPSYPVICVYSDX-UHFFFAOYSA-N 1 2 337.448 5.022 50 0 EKAALO Clc1cccc(CSCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000063128858 564056565 /nfs/dbraw/zinc/05/65/65/564056565.db2.gz DPGIQIQKLLCECY-UHFFFAOYSA-N 1 2 328.868 5.018 50 0 EKAALO c1sc(C2CCCC2)nc1C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000063993099 564083462 /nfs/dbraw/zinc/08/34/62/564083462.db2.gz PJRBLDZPDJMCCA-UHFFFAOYSA-N 1 2 348.515 5.680 50 0 EKAALO O=C(Nc1ccc(Oc2cc[nH+]cc2)cc1)c1cccc2ccccc21 ZINC000065023886 564099610 /nfs/dbraw/zinc/09/96/10/564099610.db2.gz NRKWOMMIPVNDMH-UHFFFAOYSA-N 1 2 340.382 5.279 50 0 EKAALO C[C@H]([NH2+]Cc1csc(C23CC4CC(CC(C4)C2)C3)n1)c1ccco1 ZINC000065387948 214885784 /nfs/dbraw/zinc/88/57/84/214885784.db2.gz MDDZNHUCCIVPLM-IVKJLDKCSA-N 1 2 342.508 5.055 50 0 EKAALO C[C@@H]([NH2+]Cc1csc(C23CC4CC(CC(C4)C2)C3)n1)c1ccco1 ZINC000065387949 563959377 /nfs/dbraw/zinc/95/93/77/563959377.db2.gz MDDZNHUCCIVPLM-XXWNAHEMSA-N 1 2 342.508 5.055 50 0 EKAALO COc1ccccc1OC[C@H](C)n1c[nH+]c(-c2ccccc2)c1C1CC1 ZINC000065394555 563959539 /nfs/dbraw/zinc/95/95/39/563959539.db2.gz JUMWOGXPEFKCOY-INIZCTEOSA-N 1 2 348.446 5.076 50 0 EKAALO COc1ccccc1OC[C@@H](C)n1c[nH+]c(-c2ccccc2)c1C1CC1 ZINC000065394556 563959553 /nfs/dbraw/zinc/95/95/53/563959553.db2.gz JUMWOGXPEFKCOY-MRXNPFEDSA-N 1 2 348.446 5.076 50 0 EKAALO Cc1noc(C)c1CCCn1c[nH+]c(-c2ccccc2)c1C1CCCC1 ZINC000065407457 563960305 /nfs/dbraw/zinc/96/03/05/563960305.db2.gz CHWUPYJOGACMPP-UHFFFAOYSA-N 1 2 349.478 5.445 50 0 EKAALO C[C@@H](Cc1c(-c2ccccc2)[nH+]cn1C1CCOCC1)c1ccccc1 ZINC000065433656 563960889 /nfs/dbraw/zinc/96/08/89/563960889.db2.gz SXMACTUWHHGSKK-SFHVURJKSA-N 1 2 346.474 5.248 50 0 EKAALO C[C@H](Cc1c(-c2ccccc2)[nH+]cn1C1CCOCC1)c1ccccc1 ZINC000065433659 563960948 /nfs/dbraw/zinc/96/09/48/563960948.db2.gz SXMACTUWHHGSKK-GOSISDBHSA-N 1 2 346.474 5.248 50 0 EKAALO Cc1cc(C)c(-c2csc(Nc3ccc([NH+](C)C)cc3)n2)cc1C ZINC000067321724 215133437 /nfs/dbraw/zinc/13/34/37/215133437.db2.gz BMNKOISUWSQIKK-UHFFFAOYSA-N 1 2 337.492 5.545 50 0 EKAALO C[NH+](C)c1ccc(Nc2nc(-c3ccccc3Cl)cs2)cc1 ZINC000067321820 215134197 /nfs/dbraw/zinc/13/41/97/215134197.db2.gz PXYFHWWLSLHIMC-UHFFFAOYSA-N 1 2 329.856 5.273 50 0 EKAALO C[NH+](C)c1ccc(Nc2nc(-c3cccc(Cl)c3)cs2)cc1 ZINC000067321891 215133395 /nfs/dbraw/zinc/13/33/95/215133395.db2.gz FTPGJTBVMZRBAS-UHFFFAOYSA-N 1 2 329.856 5.273 50 0 EKAALO Cc1sc(Nc2ccc([NH+](C)C)cc2)nc1-c1ccc(F)c(C)c1 ZINC000067322009 215134238 /nfs/dbraw/zinc/13/42/38/215134238.db2.gz JCTPUXUWKLQSNN-UHFFFAOYSA-N 1 2 341.455 5.376 50 0 EKAALO Cc1sc(Nc2ccc([NH+](C)C)cc2)nc1-c1ccc(Cl)cc1 ZINC000067322039 215134110 /nfs/dbraw/zinc/13/41/10/215134110.db2.gz BNLVNXVRJSPPSK-UHFFFAOYSA-N 1 2 343.883 5.582 50 0 EKAALO Cc1ccccc1Oc1ncccc1CNc1ccc2ccccc2[nH+]1 ZINC000067770197 215207606 /nfs/dbraw/zinc/20/76/06/215207606.db2.gz RENRTMKDXGYMDX-UHFFFAOYSA-N 1 2 341.414 5.343 50 0 EKAALO Cc1[nH]c[nH+]c1-c1c(-c2ccccc2)ncn1CCC1=CCCCC1 ZINC000067947989 563963159 /nfs/dbraw/zinc/96/31/59/563963159.db2.gz ILVQDRZFBAXHRD-UHFFFAOYSA-N 1 2 332.451 5.139 50 0 EKAALO Cc1cc([C@H]2CCCN2c2cc(C)c3cccc(C(C)C)c3[nH+]2)no1 ZINC000069819124 203054861 /nfs/dbraw/zinc/05/48/61/203054861.db2.gz JZSIXXVTBIAOPL-LJQANCHMSA-N 1 2 335.451 5.305 50 0 EKAALO Cc1cc([C@@H]2CCCN2c2cc(C)c3cccc(C(C)C)c3[nH+]2)no1 ZINC000069819127 203055457 /nfs/dbraw/zinc/05/54/57/203055457.db2.gz JZSIXXVTBIAOPL-IBGZPJMESA-N 1 2 335.451 5.305 50 0 EKAALO c1ccc2[nH+]c(CCCCCCCCCC[C@@H]3CCOC3)[nH]c2c1 ZINC000071405971 564174999 /nfs/dbraw/zinc/17/49/99/564174999.db2.gz ICPBCYCLRJVGQD-GOSISDBHSA-N 1 2 328.500 5.653 50 0 EKAALO c1ccc2[nH+]c(CCCCCCCCCC[C@H]3CCOC3)[nH]c2c1 ZINC000071405972 564175001 /nfs/dbraw/zinc/17/50/01/564175001.db2.gz ICPBCYCLRJVGQD-SFHVURJKSA-N 1 2 328.500 5.653 50 0 EKAALO c1ccc(CCCCCCCCCCc2[nH]c3ccccc3[nH+]2)cc1 ZINC000071405983 564175026 /nfs/dbraw/zinc/17/50/26/564175026.db2.gz HZTJIZRXRXGFSX-UHFFFAOYSA-N 1 2 334.507 6.469 50 0 EKAALO Clc1ccc(Cl)c(C[NH2+]C2(c3nccs3)CCCC2)c1 ZINC000072308877 216146218 /nfs/dbraw/zinc/14/62/18/216146218.db2.gz YVXLPVPZKKXNGD-UHFFFAOYSA-N 1 2 327.280 5.009 50 0 EKAALO Clc1ccc(C[C@H](CSCc2ccccc2)n2cc[nH+]c2)cc1 ZINC000075280187 564081469 /nfs/dbraw/zinc/08/14/69/564081469.db2.gz WFSHBMADAJQAEP-LJQANCHMSA-N 1 2 342.895 5.254 50 0 EKAALO Clc1ccc(C[C@@H](CSCc2ccccc2)n2cc[nH+]c2)cc1 ZINC000075280188 564081495 /nfs/dbraw/zinc/08/14/95/564081495.db2.gz WFSHBMADAJQAEP-IBGZPJMESA-N 1 2 342.895 5.254 50 0 EKAALO Cc1ccc(/C(=C(/c2ccccc2)n2cc[nH+]c2)c2ccccc2)cc1 ZINC000075284212 564081590 /nfs/dbraw/zinc/08/15/90/564081590.db2.gz XWTYXPSNPWCBRA-VHXPQNKSSA-N 1 2 336.438 5.656 50 0 EKAALO C[NH+](C)C12C=CC(C=C1)c1c(Cl)c(Cl)c(Cl)c(Cl)c12 ZINC000075284221 564081582 /nfs/dbraw/zinc/08/15/82/564081582.db2.gz ONFHKPXLULBJDX-UHFFFAOYSA-N 1 2 335.061 5.280 50 0 EKAALO CCCc1[nH]c2cc(CCC(=O)Nc3ccc(C(C)C)cc3)ccc2[nH+]1 ZINC000075465664 564085947 /nfs/dbraw/zinc/08/59/47/564085947.db2.gz RRAAJIPPEOPXAH-UHFFFAOYSA-N 1 2 349.478 5.210 50 0 EKAALO CCCc1[nH]c2ccc(CCC(=O)Nc3ccc(C(C)C)cc3)cc2[nH+]1 ZINC000075465664 564085946 /nfs/dbraw/zinc/08/59/46/564085946.db2.gz RRAAJIPPEOPXAH-UHFFFAOYSA-N 1 2 349.478 5.210 50 0 EKAALO CCCc1[nH]c2cc(CCC(=O)Nc3cccc(C(C)C)c3)ccc2[nH+]1 ZINC000075465698 564085971 /nfs/dbraw/zinc/08/59/71/564085971.db2.gz ZCLPDCMQGAZLEO-UHFFFAOYSA-N 1 2 349.478 5.210 50 0 EKAALO CCCc1[nH]c2ccc(CCC(=O)Nc3cccc(C(C)C)c3)cc2[nH+]1 ZINC000075465698 564085970 /nfs/dbraw/zinc/08/59/70/564085970.db2.gz ZCLPDCMQGAZLEO-UHFFFAOYSA-N 1 2 349.478 5.210 50 0 EKAALO CC(C)c1[nH]c2ccc(CCC(=O)Nc3ccc(C(C)C)cc3)cc2[nH+]1 ZINC000075465756 564086057 /nfs/dbraw/zinc/08/60/57/564086057.db2.gz AKDVUOZLKJSMGC-UHFFFAOYSA-N 1 2 349.478 5.381 50 0 EKAALO CC(C)c1[nH]c2cc(CCC(=O)Nc3ccc(C(C)C)cc3)ccc2[nH+]1 ZINC000075465756 564086056 /nfs/dbraw/zinc/08/60/56/564086056.db2.gz AKDVUOZLKJSMGC-UHFFFAOYSA-N 1 2 349.478 5.381 50 0 EKAALO CC(C)c1[nH]c2ccc(CCC(=O)Nc3cccc(C(C)C)c3)cc2[nH+]1 ZINC000075465782 564086052 /nfs/dbraw/zinc/08/60/52/564086052.db2.gz IPNFYJJKIGITPS-UHFFFAOYSA-N 1 2 349.478 5.381 50 0 EKAALO CC(C)c1[nH]c2cc(CCC(=O)Nc3cccc(C(C)C)c3)ccc2[nH+]1 ZINC000075465782 564086051 /nfs/dbraw/zinc/08/60/51/564086051.db2.gz IPNFYJJKIGITPS-UHFFFAOYSA-N 1 2 349.478 5.381 50 0 EKAALO CC(C)c1nc([C@@H](C)[NH2+]Cc2csc(-c3cccs3)n2)cs1 ZINC000076900536 564000816 /nfs/dbraw/zinc/00/08/16/564000816.db2.gz QNOJVGDKCSSIOB-LLVKDONJSA-N 1 2 349.550 5.302 50 0 EKAALO CC(C)c1nc([C@H](C)[NH2+]Cc2csc(-c3cccs3)n2)cs1 ZINC000076900542 564176530 /nfs/dbraw/zinc/17/65/30/564176530.db2.gz QNOJVGDKCSSIOB-NSHDSACASA-N 1 2 349.550 5.302 50 0 EKAALO CC(C)n1cc[nH+]c1Cn1ccnc1-c1ccccc1-c1ccccc1 ZINC000077437669 563969687 /nfs/dbraw/zinc/96/96/87/563969687.db2.gz NMYQRFXVEDSXIV-UHFFFAOYSA-N 1 2 342.446 5.043 50 0 EKAALO Cc1ccc(C[N@@H+](Cc2ccco2)Cc2cccc(F)c2F)s1 ZINC000084205455 564067401 /nfs/dbraw/zinc/06/74/01/564067401.db2.gz SDKXGCWXMKVQAQ-UHFFFAOYSA-N 1 2 333.403 5.130 50 0 EKAALO Cc1ccc(C[N@H+](Cc2ccco2)Cc2cccc(F)c2F)s1 ZINC000084205455 564067400 /nfs/dbraw/zinc/06/74/00/564067400.db2.gz SDKXGCWXMKVQAQ-UHFFFAOYSA-N 1 2 333.403 5.130 50 0 EKAALO Clc1cccc(-c2cnc(C[N@@H+](Cc3ccsc3)C3CC3)o2)c1 ZINC000084368082 564067922 /nfs/dbraw/zinc/06/79/22/564067922.db2.gz OTKRIHYZGHWZIY-UHFFFAOYSA-N 1 2 344.867 5.221 50 0 EKAALO Clc1cccc(-c2cnc(C[N@H+](Cc3ccsc3)C3CC3)o2)c1 ZINC000084368082 564067921 /nfs/dbraw/zinc/06/79/21/564067921.db2.gz OTKRIHYZGHWZIY-UHFFFAOYSA-N 1 2 344.867 5.221 50 0 EKAALO Fc1cccc(Cl)c1C[N@@H+](Cc1cccc2cccnc21)C1CC1 ZINC000084493834 564068285 /nfs/dbraw/zinc/06/82/85/564068285.db2.gz WUDMVPPUAAZHIG-UHFFFAOYSA-N 1 2 340.829 5.192 50 0 EKAALO Fc1cccc(Cl)c1C[N@H+](Cc1cccc2cccnc21)C1CC1 ZINC000084493834 564068284 /nfs/dbraw/zinc/06/82/84/564068284.db2.gz WUDMVPPUAAZHIG-UHFFFAOYSA-N 1 2 340.829 5.192 50 0 EKAALO Fc1ccc(C[N@@H+](Cc2cc3ccccc3nc2Cl)C2CC2)cc1 ZINC000084594812 564068892 /nfs/dbraw/zinc/06/88/92/564068892.db2.gz MOGLHWDIMHIFJZ-UHFFFAOYSA-N 1 2 340.829 5.192 50 0 EKAALO Fc1ccc(C[N@H+](Cc2cc3ccccc3nc2Cl)C2CC2)cc1 ZINC000084594812 564068891 /nfs/dbraw/zinc/06/88/91/564068891.db2.gz MOGLHWDIMHIFJZ-UHFFFAOYSA-N 1 2 340.829 5.192 50 0 EKAALO c1csc(C2N(Cc3ccccc3)CCC[N@H+]2Cc2ccccc2)c1 ZINC000085826869 563931464 /nfs/dbraw/zinc/93/14/64/563931464.db2.gz IDCRYSAWSPDLKT-UHFFFAOYSA-N 1 2 348.515 5.155 50 0 EKAALO c1csc(C2N(Cc3ccccc3)CCC[N@@H+]2Cc2ccccc2)c1 ZINC000085826869 563931463 /nfs/dbraw/zinc/93/14/63/563931463.db2.gz IDCRYSAWSPDLKT-UHFFFAOYSA-N 1 2 348.515 5.155 50 0 EKAALO C(\c1ccc2ccccc2n1)=C1\[NH2+]C2(CCCCC2)Cc2ccccc21 ZINC000100060171 219089597 /nfs/dbraw/zinc/08/95/97/219089597.db2.gz IXWRVINMECFFOO-KQWNVCNZSA-N 1 2 340.470 5.582 50 0 EKAALO Cc1ccccc1[C@@H]1C[C@H](c2ccccc2)Nc2[nH+]c3ccccc3n21 ZINC000101214347 219119935 /nfs/dbraw/zinc/11/99/35/219119935.db2.gz KEIWTLBGRWSELQ-IRLDBZIGSA-N 1 2 339.442 5.491 50 0 EKAALO Cc1ccccc1[C@H]1C[C@H](c2ccccc2)Nc2[nH+]c3ccccc3n21 ZINC000101214351 204002124 /nfs/dbraw/zinc/00/21/24/204002124.db2.gz KEIWTLBGRWSELQ-IFMALSPDSA-N 1 2 339.442 5.491 50 0 EKAALO Cc1ccccc1[C@@H]1C[C@@H](c2ccccc2)Nc2[nH+]c3ccccc3n21 ZINC000101214354 204002685 /nfs/dbraw/zinc/00/26/85/204002685.db2.gz KEIWTLBGRWSELQ-UNMCSNQZSA-N 1 2 339.442 5.491 50 0 EKAALO Cc1ccccc1[C@H]1C[C@@H](c2ccccc2)Nc2[nH+]c3ccccc3n21 ZINC000101214358 219119718 /nfs/dbraw/zinc/11/97/18/219119718.db2.gz KEIWTLBGRWSELQ-RBBKRZOGSA-N 1 2 339.442 5.491 50 0 EKAALO Cc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000101219502 219119320 /nfs/dbraw/zinc/11/93/20/219119320.db2.gz AIJUCQNLSCBZSR-IRLDBZIGSA-N 1 2 339.442 5.491 50 0 EKAALO Cc1ccc([C@H]2C[C@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000101219509 219119769 /nfs/dbraw/zinc/11/97/69/219119769.db2.gz AIJUCQNLSCBZSR-IFMALSPDSA-N 1 2 339.442 5.491 50 0 EKAALO Cc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000101219514 204001598 /nfs/dbraw/zinc/00/15/98/204001598.db2.gz AIJUCQNLSCBZSR-UNMCSNQZSA-N 1 2 339.442 5.491 50 0 EKAALO Cc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000101219521 219119816 /nfs/dbraw/zinc/11/98/16/219119816.db2.gz AIJUCQNLSCBZSR-RBBKRZOGSA-N 1 2 339.442 5.491 50 0 EKAALO Fc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000101225624 204002582 /nfs/dbraw/zinc/00/25/82/204002582.db2.gz SFAZWHJCZNRSHN-PZJWPPBQSA-N 1 2 343.405 5.322 50 0 EKAALO Fc1ccc([C@H]2C[C@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000101225626 204001910 /nfs/dbraw/zinc/00/19/10/204001910.db2.gz SFAZWHJCZNRSHN-TZIWHRDSSA-N 1 2 343.405 5.322 50 0 EKAALO Fc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000101225629 219119941 /nfs/dbraw/zinc/11/99/41/219119941.db2.gz SFAZWHJCZNRSHN-FPOVZHCZSA-N 1 2 343.405 5.322 50 0 EKAALO Fc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3[nH+]c4ccccc4n32)cc1 ZINC000101225632 219119615 /nfs/dbraw/zinc/11/96/15/219119615.db2.gz SFAZWHJCZNRSHN-CTNGQTDRSA-N 1 2 343.405 5.322 50 0 EKAALO C[C@H]1C(=O)[C@@H](C)[C@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1 ZINC000101651906 204015803 /nfs/dbraw/zinc/01/58/03/204015803.db2.gz HZJRRCMQPKSHRC-KZBLUPIWSA-N 1 2 348.273 5.220 50 0 EKAALO Cc1ccc(/C(=C(\c2ccccc2)n2cc[nH+]c2)c2ccccc2)cc1 ZINC000211068424 564054510 /nfs/dbraw/zinc/05/45/10/564054510.db2.gz XWTYXPSNPWCBRA-WCWDXBQESA-N 1 2 336.438 5.656 50 0 EKAALO C[C@@H]([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(Cl)c1 ZINC000215968320 564019637 /nfs/dbraw/zinc/01/96/37/564019637.db2.gz MEEPXKFABOIWFB-GFCCVEGCSA-N 1 2 347.245 5.499 50 0 EKAALO C[C@H]([NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(Cl)c1 ZINC000215968361 564019647 /nfs/dbraw/zinc/01/96/47/564019647.db2.gz MEEPXKFABOIWFB-LBPRGKRZSA-N 1 2 347.245 5.499 50 0 EKAALO Cn1cc[nH+]c1-c1cccc(NCc2csc(Cl)c2Cl)c1 ZINC000225459881 564046976 /nfs/dbraw/zinc/04/69/76/564046976.db2.gz SJIFBILSSNUYND-UHFFFAOYSA-N 1 2 338.263 5.068 50 0 EKAALO Cc1ccc(-c2nc(C[N@H+](C)Cc3ccc([C@H]4C[C@H]4C)o3)cs2)o1 ZINC000230197318 242247344 /nfs/dbraw/zinc/24/73/44/242247344.db2.gz SXNFOWZTVWQJTO-WBMJQRKESA-N 1 2 342.464 5.060 50 0 EKAALO Cc1ccc(-c2nc(C[N@@H+](C)Cc3ccc([C@H]4C[C@H]4C)o3)cs2)o1 ZINC000230197318 242247342 /nfs/dbraw/zinc/24/73/42/242247342.db2.gz SXNFOWZTVWQJTO-WBMJQRKESA-N 1 2 342.464 5.060 50 0 EKAALO Cc1ccc(-c2nc(C[N@H+](C)Cc3ccc([C@@H]4C[C@H]4C)o3)cs2)o1 ZINC000230197325 242247542 /nfs/dbraw/zinc/24/75/42/242247542.db2.gz SXNFOWZTVWQJTO-MLGOLLRUSA-N 1 2 342.464 5.060 50 0 EKAALO Cc1ccc(-c2nc(C[N@@H+](C)Cc3ccc([C@@H]4C[C@H]4C)o3)cs2)o1 ZINC000230197325 242247537 /nfs/dbraw/zinc/24/75/37/242247537.db2.gz SXNFOWZTVWQJTO-MLGOLLRUSA-N 1 2 342.464 5.060 50 0 EKAALO FC(F)(F)c1ccn2c(c[nH+]c2-c2c(Cl)cccc2Cl)c1 ZINC000261494992 563926629 /nfs/dbraw/zinc/92/66/29/563926629.db2.gz BIECQDYHTZGREF-UHFFFAOYSA-N 1 2 331.124 5.327 50 0 EKAALO FC(F)(F)c1ccc2c[nH+]c(-c3c(Cl)cccc3Cl)n2c1 ZINC000263640073 564132615 /nfs/dbraw/zinc/13/26/15/564132615.db2.gz WICIXQWMCAYUDH-UHFFFAOYSA-N 1 2 331.124 5.327 50 0 EKAALO