smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(c1)N(CC[C@H]1CCCC[N@H+]1C)c1ccccc1S2 ZINC000000608012 525549019 /nfs/dbraw/zinc/54/90/19/525549019.db2.gz QOJDAWZHQLNKDR-MRXNPFEDSA-N 1 1 354.519 5.172 40 0 in-man FKABMO CC(C)CCNc1c(-c2ccc(N(C)C)cc2)[nH+]c2ccc(Cl)cn21 ZINC000000888772 219337085 /nfs/dbraw/zinc/33/70/85/219337085.db2.gz PBFSBBFCLYJOKT-UHFFFAOYSA-N 1 1 356.901 5.179 40 0 FKABMO CN(C)c1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC2CCCC2)cc1 ZINC000000888775 206138097 /nfs/dbraw/zinc/13/80/97/206138097.db2.gz SVLDQOSSLBGLPF-UHFFFAOYSA-N 1 1 354.885 5.075 40 0 FKABMO Clc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC2CCCCC2)cc1 ZINC000000904174 206139166 /nfs/dbraw/zinc/13/91/66/206139166.db2.gz UXKDIMJQJKHSRW-UHFFFAOYSA-N 1 1 360.288 6.053 40 0 FKABMO COc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC2CCCCC2)cc1 ZINC000000904182 209382229 /nfs/dbraw/zinc/38/22/29/209382229.db2.gz JQFGDWFNPYVXPA-UHFFFAOYSA-N 1 1 355.869 5.408 40 0 FKABMO COc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NC2CCCCC2)cc1O ZINC000000904187 219339455 /nfs/dbraw/zinc/33/94/55/219339455.db2.gz JIMHZSDYGVULCA-UHFFFAOYSA-N 1 1 371.868 5.114 40 0 FKABMO COc1cc(-c2[nH+]c3ccc(Cl)cn3c2NC2CCCCC2)ccc1O ZINC000000904193 219339236 /nfs/dbraw/zinc/33/92/36/219339236.db2.gz FQLOMZBCNHTYEK-UHFFFAOYSA-N 1 1 371.868 5.114 40 0 FKABMO Brc1ccc2[nH+]c(-c3ccccc3)c(NC3CCCC3)n2c1 ZINC000000904199 219338802 /nfs/dbraw/zinc/33/88/02/219338802.db2.gz NMXYKUSCTITNLL-UHFFFAOYSA-N 1 1 356.267 5.118 40 0 FKABMO Cc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC2CCCC2)cc1 ZINC000000904204 219338668 /nfs/dbraw/zinc/33/86/68/219338668.db2.gz RYRSZSHSDBRHLI-UHFFFAOYSA-N 1 1 370.294 5.427 40 0 FKABMO Fc1ccc(-c2[nH+]c3ccc(Br)cn3c2NC2CCCC2)cc1 ZINC000000904207 209382152 /nfs/dbraw/zinc/38/21/52/209382152.db2.gz WCOTXILZLTVBIE-UHFFFAOYSA-N 1 1 374.257 5.257 40 0 FKABMO COc1cc(-c2[nH+]c3ccccn3c2NC(C)(C)CC(C)(C)C)ccc1O ZINC000000906510 209381675 /nfs/dbraw/zinc/38/16/75/209381675.db2.gz NZWFVBIEMLXOPK-UHFFFAOYSA-N 1 1 367.493 5.342 40 0 FKABMO Cc1cc(Cl)cc2c(=O)c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(C)[nH]c12 ZINC000000934610 570464143 /nfs/dbraw/zinc/46/41/43/570464143.db2.gz NNZGDIOXNUWQEL-AOMKIAJQSA-N 1 1 372.940 5.611 40 0 FKABMO Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000000950408 219345732 /nfs/dbraw/zinc/34/57/32/219345732.db2.gz IOFZKNOSHLPSBP-NYHFZMIOSA-N 1 1 372.940 5.611 40 0 FKABMO COc1ccc(-c2[nH+]c3ccc(Cl)cn3c2NCc2ccccc2)cc1 ZINC000001376128 209390691 /nfs/dbraw/zinc/39/06/91/209390691.db2.gz YDAZDASUPYBHLL-UHFFFAOYSA-N 1 1 363.848 5.275 40 0 FKABMO C[C@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000001408449 571293276 /nfs/dbraw/zinc/29/32/76/571293276.db2.gz AQYWHUJCPVLQLO-PCWWUVHHSA-N 1 1 371.524 5.414 40 0 FKABMO CC[N@@H+](C/C=C\c1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1 ZINC000001547575 204012223 /nfs/dbraw/zinc/01/22/23/204012223.db2.gz MYKJVLTXPNIGOV-KTKRTIGZSA-N 1 1 359.985 7.056 40 0 investigational FKABMO CC[NH+](CC)CCC[C@H](C)Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000001592010 210359948 /nfs/dbraw/zinc/35/99/48/210359948.db2.gz HIWSRDNBRUFDDW-AWEZNQCLSA-N 1 1 353.432 5.176 40 0 FKABMO CC[N@@H+](CCO)Cc1c(Cl)c(-c2ccccc2)oc1-c1ccccc1 ZINC000001592054 210361655 /nfs/dbraw/zinc/36/16/55/210361655.db2.gz WGXAWTJJQFNVIJ-UHFFFAOYSA-N 1 1 355.865 5.081 40 0 FKABMO O[C@@](CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000001615864 210361572 /nfs/dbraw/zinc/36/15/72/210361572.db2.gz KLWHJONHJZVCLM-YDHSSHFGSA-N 1 1 369.936 5.088 40 0 FKABMO COc1cc2c(cc1OC)[C@@H](C(c1ccccc1)c1ccccc1)[N@@H+](C)CC2 ZINC000001617792 570503004 /nfs/dbraw/zinc/50/30/04/570503004.db2.gz FWQAJQNEFXJSOZ-VWLOTQADSA-N 1 1 373.496 5.065 40 0 FKABMO Clc1ccc2c(NCCCCN3O[C@@H]3c3ccccc3)cc[nH+]c2c1 ZINC000001640557 204014898 /nfs/dbraw/zinc/01/48/98/204014898.db2.gz MMUAXWUXILQCRK-CGHJUBPDSA-N 1 1 353.853 5.026 40 0 FKABMO O=C(OCC[N@H+]1CCCC12CCCCC2)[C@@H](c1ccccc1)[C@@H]1C=CCC1 ZINC000001641380 210364395 /nfs/dbraw/zinc/36/43/95/210364395.db2.gz DMBOPNLNZCYIRI-YADHBBJMSA-N 1 1 367.533 5.078 40 0 FKABMO Brc1ccc(C[N@@H+](Cc2ccccc2)C2CCCCC2)cc1 ZINC000001644105 570503615 /nfs/dbraw/zinc/50/36/15/570503615.db2.gz HSSYWJUCOZASCQ-UHFFFAOYSA-N 1 1 358.323 5.784 40 0 FKABMO CCC[C@@H](C)[N@@H+](CCCNc1cc(OC)cc2cccnc21)CC(C)C ZINC000001644118 570503667 /nfs/dbraw/zinc/50/36/67/570503667.db2.gz JIXMWYDHDHDAHY-GOSISDBHSA-N 1 1 357.542 5.192 40 0 FKABMO O=C(OCC[N@H+]1CCCC12CCCCC2)[C@H](c1ccccc1)C1CCCC1 ZINC000001648495 570503617 /nfs/dbraw/zinc/50/36/17/570503617.db2.gz DKVGJXPJIJUMMN-JOCHJYFZSA-N 1 1 369.549 5.302 40 0 FKABMO CC1(C)CCC[N@H+]1CCCN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001655420 132382232 /nfs/dbraw/zinc/38/22/32/132382232.db2.gz JENZABRNBGEMCV-UHFFFAOYSA-N 1 1 372.965 6.207 40 0 FKABMO CCCC[C@@H](C)[N@@H+](CCNc1cc(OC)cc2cccnc21)CC(C)C ZINC000001656124 210363893 /nfs/dbraw/zinc/36/38/93/210363893.db2.gz UICOCDFXIDXKNL-GOSISDBHSA-N 1 1 357.542 5.192 40 0 FKABMO CC[NH+](CC)c1ccc(N[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000001666900 210365315 /nfs/dbraw/zinc/36/53/15/210365315.db2.gz UMKRQXBBEFYXRM-HSZRJFAPSA-N 1 1 358.485 5.569 40 0 FKABMO CC[NH+](CC)c1ccc(Nc2ccc(CC(=O)c3ccccc3)cc2)cc1 ZINC000001671919 570503942 /nfs/dbraw/zinc/50/39/42/570503942.db2.gz ACRQLRWDJMXCIY-UHFFFAOYSA-N 1 1 358.485 5.702 40 0 in-vivo FKABMO c1ccc(CC[N@H+]2CC[C@H](COC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000001672570 570503938 /nfs/dbraw/zinc/50/39/38/570503938.db2.gz UFVNAHDXHDOAGK-QHCPKHFHSA-N 1 1 371.524 5.357 40 0 FKABMO O=C1c2ccccc2[C@](c2ccccc2)([NH+]2CCCCC2)N1c1ccccc1 ZINC000001686907 204017446 /nfs/dbraw/zinc/01/74/46/204017446.db2.gz XOFLLIGIYUYVOD-RUZDIDTESA-N 1 1 368.480 5.034 40 0 FKABMO O=C(C[NH+]1CCCCC1)N1c2ccccc2Sc2cc3ccccc3cc21 ZINC000001705770 132382270 /nfs/dbraw/zinc/38/22/70/132382270.db2.gz VEWLAKCSTPGRJF-UHFFFAOYSA-N 1 1 374.509 5.455 40 0 FKABMO C[C@H]1CCCC[N@H+]1Cc1ccccc1COC(=O)c1cccc(Cl)c1 ZINC000001716185 570505538 /nfs/dbraw/zinc/50/55/38/570505538.db2.gz MIYNVVIJXDGXRU-INIZCTEOSA-N 1 1 357.881 5.071 40 0 FKABMO C[N@H+]1C(C)(C)C[C@@H](CN2c3ccccc3Sc3ccccc32)C1(C)C ZINC000001726053 132382417 /nfs/dbraw/zinc/38/24/17/132382417.db2.gz GNIWRJBESXYSHN-INIZCTEOSA-N 1 1 352.547 5.798 40 0 FKABMO C[N@H+]1C(C)(C)C[C@H](CN2c3ccccc3Sc3ccccc32)C1(C)C ZINC000001726055 132382470 /nfs/dbraw/zinc/38/24/70/132382470.db2.gz GNIWRJBESXYSHN-MRXNPFEDSA-N 1 1 352.547 5.798 40 0 FKABMO C[C@@H](CCC[N@@H+](C)Cc1ccccc1)Nc1ccnc2cc(Cl)ccc21 ZINC000001727298 570505988 /nfs/dbraw/zinc/50/59/88/570505988.db2.gz WWYGIZAIIQNKMF-KRWDZBQOSA-N 1 1 367.924 5.601 40 0 FKABMO CC[NH+](CC)CCSCCCNc1c(C)cnc2cc(Cl)ccc21 ZINC000001729627 210367794 /nfs/dbraw/zinc/36/77/94/210367794.db2.gz DXXIJCMRAMZLTK-UHFFFAOYSA-N 1 1 365.974 5.074 40 0 FKABMO COc1ccc2c(c1)N(CC[C@@H]1CCCC[N@H+]1C)c1ccccc1S2 ZINC000002020011 536993665 /nfs/dbraw/zinc/99/36/65/536993665.db2.gz QOJDAWZHQLNKDR-INIZCTEOSA-N 1 1 354.519 5.172 40 0 in-man FKABMO CC[NH+](CC)CCC[C@@H](C)Nc1ccnc2cc(C(F)(F)F)ccc21 ZINC000002042639 571311589 /nfs/dbraw/zinc/31/15/89/571311589.db2.gz HIWSRDNBRUFDDW-CQSZACIVSA-N 1 1 353.432 5.176 40 0 FKABMO CC[C@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000003018649 570656312 /nfs/dbraw/zinc/65/63/12/570656312.db2.gz AOUWTGIEFIEWFQ-SSUZURRFSA-N 1 1 371.524 5.719 40 0 FKABMO C[C@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000003998017 204117268 /nfs/dbraw/zinc/11/72/68/204117268.db2.gz XXNRZZXPXAFYRJ-JNSABCDYSA-N 1 1 357.497 5.328 40 0 FKABMO C[C@@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000003998018 219532984 /nfs/dbraw/zinc/53/29/84/219532984.db2.gz XXNRZZXPXAFYRJ-LJYZBVLISA-N 1 1 357.497 5.328 40 0 FKABMO C[C@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000003998019 204116325 /nfs/dbraw/zinc/11/63/25/204116325.db2.gz XXNRZZXPXAFYRJ-YUSVDLJSSA-N 1 1 357.497 5.328 40 0 FKABMO C[N@H+](C/C=C/c1ccccc1)CCOC(c1ccccc1)c1ccccc1 ZINC000004215341 210516444 /nfs/dbraw/zinc/51/64/44/210516444.db2.gz QTKQVDXGCWKEHE-SDNWHVSQSA-N 1 1 357.497 5.438 40 0 in-man FKABMO CC[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000004358285 206175295 /nfs/dbraw/zinc/17/52/95/206175295.db2.gz AOUWTGIEFIEWFQ-RSYZFUPGSA-N 1 1 371.524 5.719 40 0 FKABMO CC[C@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000004358288 570667039 /nfs/dbraw/zinc/66/70/39/570667039.db2.gz AOUWTGIEFIEWFQ-CQJMVLFOSA-N 1 1 371.524 5.719 40 0 FKABMO CC[C@@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000004358291 570667275 /nfs/dbraw/zinc/66/72/75/570667275.db2.gz AOUWTGIEFIEWFQ-ZJSPYRCASA-N 1 1 371.524 5.719 40 0 FKABMO CCCC[N@@H+](CC)CCCCCCCCCCN1CCCc2ccccc21 ZINC000004366805 570587341 /nfs/dbraw/zinc/58/73/41/570587341.db2.gz CLVLHSYFTVSSNG-UHFFFAOYSA-N 1 1 372.641 6.682 40 0 FKABMO CCCC[N@@H+](CCC)CCCCCCCCCN1CCCc2ccccc21 ZINC000004366806 570587577 /nfs/dbraw/zinc/58/75/77/570587577.db2.gz RTCKAQJIICVMPU-UHFFFAOYSA-N 1 1 372.641 6.682 40 0 FKABMO O[C@H](C[N@H+]1CCC[C@H]2CCCC[C@@H]21)c1cc2c(c3ccccc31)CCCC2 ZINC000004409370 570590167 /nfs/dbraw/zinc/59/01/67/570590167.db2.gz UTZUPMNYTGCZNO-AYCKEJKLSA-N 1 1 363.545 5.407 40 0 FKABMO O[C@@H](C[N@H+]1CCC[C@H]2CCCC[C@@H]21)c1cc2c(c3ccccc31)CCCC2 ZINC000004409372 207018041 /nfs/dbraw/zinc/01/80/41/207018041.db2.gz UTZUPMNYTGCZNO-YWWLGCSWSA-N 1 1 363.545 5.407 40 0 FKABMO C[C@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004477927 571293465 /nfs/dbraw/zinc/29/34/65/571293465.db2.gz AQYWHUJCPVLQLO-JSKMBAMBSA-N 1 1 371.524 5.414 40 0 FKABMO C[C@@H]1[C@@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@]1(O)Cc1ccccc1 ZINC000004477928 204140651 /nfs/dbraw/zinc/14/06/51/204140651.db2.gz AQYWHUJCPVLQLO-IFKAHUTRSA-N 1 1 371.524 5.414 40 0 FKABMO O=C(OCC[N@H+]1CCCC12CCCCC2)[C@@H](c1ccccc1)[C@H]1C=CCC1 ZINC000004538930 570595487 /nfs/dbraw/zinc/59/54/87/570595487.db2.gz DMBOPNLNZCYIRI-VXKWHMMOSA-N 1 1 367.533 5.078 40 0 FKABMO O=C(OCC[N@H+]1CCCC12CCCCC2)[C@H](c1ccccc1)[C@H]1C=CCC1 ZINC000004538934 207026877 /nfs/dbraw/zinc/02/68/77/207026877.db2.gz DMBOPNLNZCYIRI-FCHUYYIVSA-N 1 1 367.533 5.078 40 0 FKABMO O=C(OCC[N@H+]1CCCC12CCCCC2)[C@H](c1ccccc1)[C@@H]1C=CCC1 ZINC000004538938 570595653 /nfs/dbraw/zinc/59/56/53/570595653.db2.gz DMBOPNLNZCYIRI-FGZHOGPDSA-N 1 1 367.533 5.078 40 0 FKABMO COc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OC)cc3)[N@H+]2C)cc1 ZINC000004777734 204162529 /nfs/dbraw/zinc/16/25/29/204162529.db2.gz LGWKVDLUCCAJJF-SZPZYZBQSA-N 1 1 367.533 5.122 40 0 FKABMO CCCCCC[C@@H]1CCCC[N@H+]1[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000004783042 570606690 /nfs/dbraw/zinc/60/66/90/570606690.db2.gz UPRLEOWAUPIIKX-DSNGMDLFSA-N 1 1 365.561 6.286 40 0 FKABMO CCCCCC[C@H]1CCCC[N@H+]1[C@@H](c1ccccc1)[C@H](O)c1ccccc1 ZINC000004783043 570606798 /nfs/dbraw/zinc/60/67/98/570606798.db2.gz UPRLEOWAUPIIKX-CCDWMCETSA-N 1 1 365.561 6.286 40 0 FKABMO c1ccc(CC[N@H+]2CC[C@@H](COC(c3ccccc3)c3ccccc3)C2)cc1 ZINC000004792338 204164916 /nfs/dbraw/zinc/16/49/16/204164916.db2.gz UFVNAHDXHDOAGK-HSZRJFAPSA-N 1 1 371.524 5.357 40 0 FKABMO Oc1ccccc1-c1[nH+]c2ccc(Cl)cn2c1NCCc1ccccc1 ZINC000004848486 206181214 /nfs/dbraw/zinc/18/12/14/206181214.db2.gz CYZFTWOUZHLIRY-UHFFFAOYSA-N 1 1 363.848 5.015 40 0 FKABMO Cc1cccc(C)c1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C1CCCCC1 ZINC000004887638 570672639 /nfs/dbraw/zinc/67/26/39/570672639.db2.gz BTUHIRZCYMKQSQ-VCSGRIEYSA-N 1 1 369.553 5.143 40 0 FKABMO CCO[C@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000004896290 204172706 /nfs/dbraw/zinc/17/27/06/204172706.db2.gz CPLHRXMRMDSXNE-JWQCQUIFSA-N 1 1 373.496 5.150 40 0 FKABMO CCO[C@@]1(c2ccccc2)C[N@@H+](Cc2ccccc2)C[C@H](c2ccccc2)O1 ZINC000004896291 570612366 /nfs/dbraw/zinc/61/23/66/570612366.db2.gz CPLHRXMRMDSXNE-RPBOFIJWSA-N 1 1 373.496 5.150 40 0 FKABMO c1ccc([C@H]2C3=C(c4ccccc4CC3)[N@@H+]3CCO[C@]34CCCC[C@@H]24)cc1 ZINC000004899206 204173209 /nfs/dbraw/zinc/17/32/09/204173209.db2.gz CKZZOIDHUAISOG-LSQMVHIFSA-N 1 1 357.497 5.360 40 0 FKABMO c1ccc([C@H]2C3=C(c4ccccc4CC3)[N@@H+]3CCO[C@]34CCCC[C@H]24)cc1 ZINC000004899208 204173717 /nfs/dbraw/zinc/17/37/17/204173717.db2.gz CKZZOIDHUAISOG-CUYJMHBOSA-N 1 1 357.497 5.360 40 0 FKABMO Clc1ccc(/C(=C\C[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000004934876 570613928 /nfs/dbraw/zinc/61/39/28/570613928.db2.gz RHKSEYVTQFZACE-HNGNLUIFSA-N 1 1 351.921 5.894 40 0 FKABMO O[C@](CC[N@H+]1CC[C@@H]2CC[C@@H](C2)C1)(c1ccccc1)c1ccc(Cl)cc1 ZINC000004934877 204178586 /nfs/dbraw/zinc/17/85/86/204178586.db2.gz KLWHJONHJZVCLM-SFYKDHMMSA-N 1 1 369.936 5.088 40 0 FKABMO CCCC[C@@](O)(c1ccccc1)[C@@H]1C[N@H+](C(C)(C)C)[C@@H]1c1ccccc1 ZINC000005045989 204187274 /nfs/dbraw/zinc/18/72/74/204187274.db2.gz JGHGHADLIVEPGD-CQOQZXRMSA-N 1 1 351.534 5.536 40 0 FKABMO CCCC[C@](O)(c1ccccc1)[C@@H]1C[N@H+](C(C)(C)C)[C@@H]1c1ccccc1 ZINC000005045990 204187422 /nfs/dbraw/zinc/18/74/22/204187422.db2.gz JGHGHADLIVEPGD-AKFKNWHVSA-N 1 1 351.534 5.536 40 0 FKABMO CCCC[C@@](O)(c1ccccc1)[C@H]1C[N@H+](C(C)(C)C)[C@@H]1c1ccccc1 ZINC000005045991 204187192 /nfs/dbraw/zinc/18/71/92/204187192.db2.gz JGHGHADLIVEPGD-WMTXJRDZSA-N 1 1 351.534 5.536 40 0 FKABMO CCCC[C@](O)(c1ccccc1)[C@H]1C[N@H+](C(C)(C)C)[C@@H]1c1ccccc1 ZINC000005045992 570619153 /nfs/dbraw/zinc/61/91/53/570619153.db2.gz JGHGHADLIVEPGD-ZDXQCDESSA-N 1 1 351.534 5.536 40 0 FKABMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1COC(=O)c1cccc(Cl)c1 ZINC000005187363 570621952 /nfs/dbraw/zinc/62/19/52/570621952.db2.gz MIYNVVIJXDGXRU-MRXNPFEDSA-N 1 1 357.881 5.071 40 0 FKABMO O[C@@]12CCCC[C@@H]1[C@H](c1ccc(F)cc1)[N@@H+](C/C=C/c1ccccc1)CC2 ZINC000005192293 207085799 /nfs/dbraw/zinc/08/57/99/207085799.db2.gz WJIDANGHKXCJLA-RBCXQPIPSA-N 1 1 365.492 5.207 40 0 FKABMO O=C1C(c2ccccc2)Sc2c(-c3ccccc3)nc3ccccc3[n+]21 ZINC000005604462 570964330 /nfs/dbraw/zinc/96/43/30/570964330.db2.gz KTGTUVATXLQXCP-UHFFFAOYSA-O 1 1 355.442 5.075 40 0 FKABMO Clc1ccc(C[NH+]2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000005626249 570679765 /nfs/dbraw/zinc/67/97/65/570679765.db2.gz OBKYREAEPMNVOJ-UHFFFAOYSA-N 1 1 360.288 5.249 40 0 FKABMO COc1cc2c(cc1OC)[C@H](C(c1ccccc1)c1ccccc1)[N@@H+](C)CC2 ZINC000005812919 207116991 /nfs/dbraw/zinc/11/69/91/207116991.db2.gz FWQAJQNEFXJSOZ-RUZDIDTESA-N 1 1 373.496 5.065 40 0 FKABMO CCCC[C@H](C)[N@@H+](CCNc1cc(OC)cc2cccnc21)CC(C)C ZINC000005838418 570637179 /nfs/dbraw/zinc/63/71/79/570637179.db2.gz UICOCDFXIDXKNL-SFHVURJKSA-N 1 1 357.542 5.192 40 0 FKABMO CCC[C@H](C)[N@@H+](CCCNc1cc(OC)cc2cccnc21)CC(C)C ZINC000005839079 570637034 /nfs/dbraw/zinc/63/70/34/570637034.db2.gz JIXMWYDHDHDAHY-SFHVURJKSA-N 1 1 357.542 5.192 40 0 FKABMO CC[NH+](CC)c1ccc(N[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000005883648 570637958 /nfs/dbraw/zinc/63/79/58/570637958.db2.gz UMKRQXBBEFYXRM-QHCPKHFHSA-N 1 1 358.485 5.569 40 0 FKABMO Clc1ccc2c(NCCCCN3O[C@H]3c3ccccc3)cc[nH+]c2c1 ZINC000005941890 204230918 /nfs/dbraw/zinc/23/09/18/204230918.db2.gz MMUAXWUXILQCRK-QHELBMECSA-N 1 1 353.853 5.026 40 0 FKABMO O=C(CCC[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 ZINC000006092801 571151098 /nfs/dbraw/zinc/15/10/98/571151098.db2.gz ZNOLNAPJKOYTHY-UHFFFAOYSA-N 1 1 357.856 5.231 40 0 world FKABMO O=C(OCC[N@H+]1CCCC12CCCCC2)[C@@H](c1ccccc1)C1CCCC1 ZINC000006581808 570649611 /nfs/dbraw/zinc/64/96/11/570649611.db2.gz DKVGJXPJIJUMMN-QFIPXVFZSA-N 1 1 369.549 5.302 40 0 FKABMO O=C1c2ccccc2[C@@](c2ccccc2)([NH+]2CCCCC2)N1c1ccccc1 ZINC000006582282 570649629 /nfs/dbraw/zinc/64/96/29/570649629.db2.gz XOFLLIGIYUYVOD-VWLOTQADSA-N 1 1 368.480 5.034 40 0 FKABMO CC(C)CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 ZINC000006858890 570655791 /nfs/dbraw/zinc/65/57/91/570655791.db2.gz XIRPMGOKFDDHCL-UHFFFAOYSA-N 1 1 374.463 5.685 40 0 FKABMO CC(C)CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccccc1 ZINC000006858893 207173269 /nfs/dbraw/zinc/17/32/69/207173269.db2.gz FVIXUOGNWKZFKL-UHFFFAOYSA-N 1 1 356.473 5.546 40 0 FKABMO CCNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 ZINC000006870029 570655725 /nfs/dbraw/zinc/65/57/25/570655725.db2.gz MCDXFMKNQYSONB-UHFFFAOYSA-N 1 1 362.864 5.481 40 0 FKABMO CCOc1ccc(C(=O)CN(c2ccc(C)cc2)C2=[NH+]CCCCC2)cc1 ZINC000006870306 568101425 /nfs/dbraw/zinc/10/14/25/568101425.db2.gz DYSRVXKMIYIYQI-UHFFFAOYSA-N 1 1 364.489 5.056 40 0 FKABMO CCOc1ccc(N(CC(=O)c2ccc(Cl)cc2)C2=[NH+]CCCC2)cc1 ZINC000006870351 568101392 /nfs/dbraw/zinc/10/13/92/568101392.db2.gz JVYAVZRZKMTOKB-UHFFFAOYSA-N 1 1 370.880 5.010 40 0 FKABMO CCc1ccc(N(CC(=O)c2ccc(Cl)cc2)C2=[NH+]CCCC2)cc1 ZINC000006870948 568099469 /nfs/dbraw/zinc/09/94/69/568099469.db2.gz IQZPQMBAQWGAFK-UHFFFAOYSA-N 1 1 354.881 5.174 40 0 FKABMO CCc1ccc(N(CC(=O)c2ccc(Cl)cc2)C2=[NH+]CCCCC2)cc1 ZINC000006870950 263347913 /nfs/dbraw/zinc/34/79/13/263347913.db2.gz MGYMRTKGBLJIRE-UHFFFAOYSA-N 1 1 368.908 5.564 40 0 FKABMO CNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 ZINC000006871702 204278195 /nfs/dbraw/zinc/27/81/95/204278195.db2.gz PGZDLNVVDKKZLM-UHFFFAOYSA-N 1 1 368.362 5.148 40 0 FKABMO COc1ccc(N(CC(=O)c2ccc(Cl)cc2)C2=[NH+]CCCCC2)cc1 ZINC000007275508 568230975 /nfs/dbraw/zinc/23/09/75/568230975.db2.gz MEWLGYHBTASSGB-UHFFFAOYSA-N 1 1 370.880 5.010 40 0 FKABMO CCOC(=O)c1ccc(-c2ccc(C[NH2+]Cc3ccccc3Cl)o2)cc1 ZINC000007519802 263351885 /nfs/dbraw/zinc/35/18/85/263351885.db2.gz CVYOEEWEMNNMQF-UHFFFAOYSA-N 1 1 369.848 5.067 40 0 FKABMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCC(C)C)cc1 ZINC000008412678 204330801 /nfs/dbraw/zinc/33/08/01/204330801.db2.gz LUXFJJQWFAVETC-UHFFFAOYSA-N 1 1 370.500 5.854 40 0 FKABMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N(C)C)cc1Cl ZINC000008412975 207233637 /nfs/dbraw/zinc/23/36/37/207233637.db2.gz UFEFQDKROFAVAP-UHFFFAOYSA-N 1 1 362.864 5.115 40 0 FKABMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCC(C)C)c1 ZINC000008415068 570681644 /nfs/dbraw/zinc/68/16/44/570681644.db2.gz HXZQTYOHCHPPFW-UHFFFAOYSA-N 1 1 370.500 5.854 40 0 FKABMO CCCCOc1ccc2[nH]c(C)c(C[N@@H+](C)Cc3ccccc3)c(=O)c2c1 ZINC000008572569 570683230 /nfs/dbraw/zinc/68/32/30/570683230.db2.gz BFRNSVUAAFYQNO-UHFFFAOYSA-N 1 1 364.489 5.060 40 0 FKABMO Cc1[nH]c2ccc(Cl)cc2c(=O)c1C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008700899 571293672 /nfs/dbraw/zinc/29/36/72/571293672.db2.gz YMBMBLLMGQWUAL-BTYIYWSLSA-N 1 1 358.913 5.303 40 0 FKABMO CCOc1ccc2[nH]c(C)c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008714098 571293662 /nfs/dbraw/zinc/29/36/62/571293662.db2.gz BTLFXIWYOFKUOL-HJPURHCSSA-N 1 1 368.521 5.048 40 0 FKABMO Cc1cc(C)c2[nH]c(C)c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008714107 204340341 /nfs/dbraw/zinc/34/03/41/204340341.db2.gz TZXFIAVQRGFFJR-SBUREZEXSA-N 1 1 352.522 5.266 40 0 FKABMO CCc1ccc2[nH]c(C)c(C[N@H+]3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(=O)c2c1 ZINC000008714152 204340374 /nfs/dbraw/zinc/34/03/74/204340374.db2.gz NEAZAMGOLAETDW-SBUREZEXSA-N 1 1 352.522 5.212 40 0 FKABMO Cc1cc(C)c2c(c1)[nH]c(C)c(C[N@H+]1C[C@@]3(C)C[C@@H]1CC(C)(C)C3)c2=O ZINC000008717428 570684828 /nfs/dbraw/zinc/68/48/28/570684828.db2.gz YQRANECABFFVME-SBUREZEXSA-N 1 1 352.522 5.266 40 0 FKABMO Cc1[nH]c2c(Cl)cccc2c(=O)c1C[N@H+]1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000008717547 570684632 /nfs/dbraw/zinc/68/46/32/570684632.db2.gz KFGVTCJOFFWGIG-QKKBWIMNSA-N 1 1 358.913 5.303 40 0 FKABMO FC(F)c1cc([C@@H]2C[N@@H+](CC3CCCCC3)C[C@H]2c2ccccc2)[nH]n1 ZINC000012129066 570720602 /nfs/dbraw/zinc/72/06/02/570720602.db2.gz KWSDWJBHWDTUQH-ZWKOTPCHSA-N 1 1 359.464 5.111 40 0 FKABMO COCCC[N@@H+](Cc1ccccn1)CC1(c2ccc(Cl)cc2)CCCC1 ZINC000012241497 570730909 /nfs/dbraw/zinc/73/09/09/570730909.db2.gz IXTWIBRMVXDYKH-UHFFFAOYSA-N 1 1 372.940 5.086 40 0 FKABMO CC[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000013304217 568404898 /nfs/dbraw/zinc/40/48/98/568404898.db2.gz AOUWTGIEFIEWFQ-FXSWLTOZSA-N 1 1 371.524 5.719 40 0 FKABMO CCc1cccc2cc3c(nc21)O[C@H](C)C[N@@H+](CCCc1ccccc1)C3 ZINC000013563850 206304949 /nfs/dbraw/zinc/30/49/49/206304949.db2.gz WXQXZEDADFVFND-GOSISDBHSA-N 1 1 360.501 5.013 40 0 FKABMO CCc1cccc2cc3c(nc21)O[C@H](C)C[N@H+](CCCc1ccccc1)C3 ZINC000013563850 206304945 /nfs/dbraw/zinc/30/49/45/206304945.db2.gz WXQXZEDADFVFND-GOSISDBHSA-N 1 1 360.501 5.013 40 0 FKABMO CCc1cccc2cc3c(nc21)O[C@@H](C)C[N@@H+](CCCc1ccccc1)C3 ZINC000013563852 206304812 /nfs/dbraw/zinc/30/48/12/206304812.db2.gz WXQXZEDADFVFND-SFHVURJKSA-N 1 1 360.501 5.013 40 0 FKABMO CCc1cccc2cc3c(nc21)O[C@@H](C)C[N@H+](CCCc1ccccc1)C3 ZINC000013563852 206304809 /nfs/dbraw/zinc/30/48/09/206304809.db2.gz WXQXZEDADFVFND-SFHVURJKSA-N 1 1 360.501 5.013 40 0 FKABMO COc1ccc(C[N@@H+](Cc2ccncc2)Cc2cccc3ccccc32)cc1 ZINC000013570230 220074919 /nfs/dbraw/zinc/07/49/19/220074919.db2.gz VWMIUTYEUQYYDE-UHFFFAOYSA-N 1 1 368.480 5.446 40 0 FKABMO CCCc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccc(OC)cc2)s1 ZINC000013570252 220075181 /nfs/dbraw/zinc/07/51/81/220075181.db2.gz XWPDRRDGZABYTF-UHFFFAOYSA-N 1 1 366.530 5.307 40 0 FKABMO FC(F)(F)c1ccc(C[N@@H+](Cc2ccccc2)Cc2ccncc2)cc1 ZINC000013989218 220099575 /nfs/dbraw/zinc/09/95/75/220099575.db2.gz NNLNQGLUUFLYKI-UHFFFAOYSA-N 1 1 356.391 5.303 40 0 FKABMO Cc1ccc(C[N@@H+](Cc2ccncc2)Cc2cccc3cccnc32)cc1 ZINC000013989290 220100342 /nfs/dbraw/zinc/10/03/42/220100342.db2.gz QXLMRGUOUBHUPP-UHFFFAOYSA-N 1 1 353.469 5.141 40 0 FKABMO Cc1c2ccccc2[nH]c1C[N@@H+](Cc1ccncc1)Cc1ccc(C)cc1 ZINC000013989337 570840607 /nfs/dbraw/zinc/84/06/07/570840607.db2.gz KRRDEDNICPWBTN-UHFFFAOYSA-N 1 1 355.485 5.382 40 0 FKABMO Cc1c2ccccc2[nH]c1C[N@H+](Cc1ccncc1)Cc1ccc(C)cc1 ZINC000013989337 570840604 /nfs/dbraw/zinc/84/06/04/570840604.db2.gz KRRDEDNICPWBTN-UHFFFAOYSA-N 1 1 355.485 5.382 40 0 FKABMO Cc1ccc(C[N@@H+](Cc2ccncc2)Cc2ccccc2N2CCCC2)cc1 ZINC000013989402 570499060 /nfs/dbraw/zinc/49/90/60/570499060.db2.gz JYKTZMIQGROQSS-UHFFFAOYSA-N 1 1 371.528 5.193 40 0 FKABMO FC(F)(F)c1ccccc1C[N@@H+](CCc1ccccc1)Cc1ccncc1 ZINC000013990037 220099489 /nfs/dbraw/zinc/09/94/89/220099489.db2.gz GVWYTVNWADKKJB-UHFFFAOYSA-N 1 1 370.418 5.345 40 0 FKABMO Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000014163188 570844865 /nfs/dbraw/zinc/84/48/65/570844865.db2.gz SQVXINVALFBTPV-SAHWJRBASA-N 1 1 360.501 5.378 40 0 FKABMO C[NH+](C)/C=C(/C(=S)N(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000016163009 571154670 /nfs/dbraw/zinc/15/46/70/571154670.db2.gz ANGSZHNSQHVGGM-RELWKKBWSA-N 1 1 358.510 5.755 40 0 FKABMO C[C@H](CCC[N@@H+](C)Cc1ccccc1)Nc1ccnc2cc(Cl)ccc21 ZINC000016955396 570863752 /nfs/dbraw/zinc/86/37/52/570863752.db2.gz WWYGIZAIIQNKMF-QGZVFWFLSA-N 1 1 367.924 5.601 40 0 FKABMO Clc1ccc(/C(=C/C[N@H+]2CC[C@@H]3CC[C@@H](C3)C2)c2ccccc2)cc1 ZINC000017378389 204654479 /nfs/dbraw/zinc/65/44/79/204654479.db2.gz RHKSEYVTQFZACE-TXSSHTDISA-N 1 1 351.921 5.894 40 0 FKABMO Cc1cc(-c2cn[nH]c2[C@H]2CCCC[N@@H+]2Cc2ccc(C(C)C)cc2)on1 ZINC000019120902 220237272 /nfs/dbraw/zinc/23/72/72/220237272.db2.gz IOFOJJBCDASHQU-HXUWFJFHSA-N 1 1 364.493 5.224 40 0 FKABMO Cc1cc(-c2cn[nH]c2[C@@H]2CCCC[N@@H+]2Cc2ccc(C(C)C)cc2)on1 ZINC000019120904 211203215 /nfs/dbraw/zinc/20/32/15/211203215.db2.gz IOFOJJBCDASHQU-FQEVSTJZSA-N 1 1 364.493 5.224 40 0 FKABMO Cc1ccc(C[N@@H+](Cc2c[nH]nc2-c2cccs2)Cc2ccncc2)cc1 ZINC000019210154 570882012 /nfs/dbraw/zinc/88/20/12/570882012.db2.gz IBCKQWKXNOKJKD-UHFFFAOYSA-N 1 1 374.513 5.044 40 0 FKABMO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+](Cc4cccc(Cl)c4)C3)o2)s1 ZINC000019217621 220240754 /nfs/dbraw/zinc/24/07/54/220240754.db2.gz BJWJECOMNZPUIH-OAHLLOKOSA-N 1 1 373.909 5.140 40 0 FKABMO Cc1ccc(-c2nnc([C@H]3CCC[N@@H+](Cc4cccc(Cl)c4)C3)o2)s1 ZINC000019217623 570882464 /nfs/dbraw/zinc/88/24/64/570882464.db2.gz BJWJECOMNZPUIH-HNNXBMFYSA-N 1 1 373.909 5.140 40 0 FKABMO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)o2)s1 ZINC000019217631 220241836 /nfs/dbraw/zinc/24/18/36/220241836.db2.gz RFEDRXNXWFBWDQ-OAHLLOKOSA-N 1 1 373.909 5.140 40 0 FKABMO Cc1ccc(-c2nnc([C@H]3CCC[N@@H+](Cc4ccccc4Cl)C3)o2)s1 ZINC000019217634 570882226 /nfs/dbraw/zinc/88/22/26/570882226.db2.gz RFEDRXNXWFBWDQ-HNNXBMFYSA-N 1 1 373.909 5.140 40 0 FKABMO CCCC[C@H](CC)CN1CN2C[N@@H+](C[C@@H](CC)CCCC)CC2(C)C1 ZINC000019319125 220249693 /nfs/dbraw/zinc/24/96/93/220249693.db2.gz MSJBLPVXRJMJSY-SFTDATJTSA-N 1 1 351.623 5.026 40 0 in-man FKABMO Clc1ccc(CN2CCC[N@@H+](C3CCCCC3)[C@@H]2[C@@H]2CCC=CO2)cc1 ZINC000019319512 570885758 /nfs/dbraw/zinc/88/57/58/570885758.db2.gz DGYSLUPPRRWWLE-FCHUYYIVSA-N 1 1 374.956 5.199 40 0 FKABMO CCCC[C@@H](CC)CN1CN2C[N@@H+](C[C@H](CC)CCCC)CC2(C)C1 ZINC000019324115 211213846 /nfs/dbraw/zinc/21/38/46/211213846.db2.gz MSJBLPVXRJMJSY-NHCUHLMSSA-N 1 1 351.623 5.026 40 0 in-man FKABMO Cc1ccccc1C1N(Cc2ccccc2)CCC[N@H+]1Cc1ccccc1 ZINC000019328433 220249313 /nfs/dbraw/zinc/24/93/13/220249313.db2.gz RBBBKWBGJZJJBA-UHFFFAOYSA-N 1 1 356.513 5.402 40 0 FKABMO Cc1ccccc1C1N(Cc2ccccc2)CCC[N@@H+]1Cc1ccccc1 ZINC000019328433 220249309 /nfs/dbraw/zinc/24/93/09/220249309.db2.gz RBBBKWBGJZJJBA-UHFFFAOYSA-N 1 1 356.513 5.402 40 0 FKABMO Clc1ccc(C[NH2+][C@@H](Cc2cccs2)c2nccs2)cc1Cl ZINC000019343331 570886234 /nfs/dbraw/zinc/88/62/34/570886234.db2.gz WKEUMUWYJOFFRI-HNNXBMFYSA-N 1 1 369.342 5.585 40 0 FKABMO Clc1ccc(C[NH2+][C@H](Cc2cccs2)c2nccs2)cc1Cl ZINC000019343334 220250977 /nfs/dbraw/zinc/25/09/77/220250977.db2.gz WKEUMUWYJOFFRI-OAHLLOKOSA-N 1 1 369.342 5.585 40 0 FKABMO CC(C)Oc1ccc(C[NH2+][C@@H](Cc2cccs2)c2nccs2)cc1 ZINC000019450700 220258708 /nfs/dbraw/zinc/25/87/08/220258708.db2.gz IFUDGRWUZUNCHD-SFHVURJKSA-N 1 1 358.532 5.065 40 0 FKABMO CC(C)Oc1ccc(C[NH2+][C@H](Cc2cccs2)c2nccs2)cc1 ZINC000019450702 211221454 /nfs/dbraw/zinc/22/14/54/211221454.db2.gz IFUDGRWUZUNCHD-GOSISDBHSA-N 1 1 358.532 5.065 40 0 FKABMO CC(C)Oc1ccc(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)cc1 ZINC000019450704 570889198 /nfs/dbraw/zinc/88/91/98/570889198.db2.gz ZTFIFVCIXCKXJJ-SFHVURJKSA-N 1 1 358.532 5.065 40 0 FKABMO CC(C)Oc1ccc(C[NH2+][C@H](Cc2ccsc2)c2nccs2)cc1 ZINC000019450706 570889123 /nfs/dbraw/zinc/88/91/23/570889123.db2.gz ZTFIFVCIXCKXJJ-GOSISDBHSA-N 1 1 358.532 5.065 40 0 FKABMO CC(C)Oc1cccc(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)c1 ZINC000019450947 570889151 /nfs/dbraw/zinc/88/91/51/570889151.db2.gz UUCLUOYKZWYDGU-SFHVURJKSA-N 1 1 358.532 5.065 40 0 FKABMO CC(C)Oc1cccc(C[NH2+][C@H](Cc2ccsc2)c2nccs2)c1 ZINC000019450949 211222144 /nfs/dbraw/zinc/22/21/44/211222144.db2.gz UUCLUOYKZWYDGU-GOSISDBHSA-N 1 1 358.532 5.065 40 0 FKABMO COc1ccccc1C1([NH2+]Cc2nc3ccccc3n2C(C)C)CCCC1 ZINC000019454755 220257337 /nfs/dbraw/zinc/25/73/37/220257337.db2.gz RFGTZIFRDOKIGZ-UHFFFAOYSA-N 1 1 363.505 5.185 40 0 FKABMO COc1ccc([C@@H](C)[N@@H+](C)Cc2c3cccnc3[nH]c2C2CCCC2)cc1 ZINC000019458713 220261269 /nfs/dbraw/zinc/26/12/69/220261269.db2.gz CXBMXHXSZPRVQE-MRXNPFEDSA-N 1 1 363.505 5.422 40 0 FKABMO COc1ccc([C@H](C)[N@@H+](C)Cc2c3cccnc3[nH]c2C2CCCC2)cc1 ZINC000019458715 220261658 /nfs/dbraw/zinc/26/16/58/220261658.db2.gz CXBMXHXSZPRVQE-INIZCTEOSA-N 1 1 363.505 5.422 40 0 FKABMO CCn1ncc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3cccs3)on2)c1C ZINC000019523966 211228141 /nfs/dbraw/zinc/22/81/41/211228141.db2.gz LAOZVECXVOAFLI-GOSISDBHSA-N 1 1 370.522 5.045 40 0 FKABMO CCn1ncc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3cccs3)on2)c1C ZINC000019523966 211228138 /nfs/dbraw/zinc/22/81/38/211228138.db2.gz LAOZVECXVOAFLI-GOSISDBHSA-N 1 1 370.522 5.045 40 0 FKABMO CCn1ncc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3cccs3)on2)c1C ZINC000019523967 211227677 /nfs/dbraw/zinc/22/76/77/211227677.db2.gz LAOZVECXVOAFLI-SFHVURJKSA-N 1 1 370.522 5.045 40 0 FKABMO CCn1ncc(C[N@H+]2CCCCC[C@H]2c2cc(-c3cccs3)on2)c1C ZINC000019523967 211227682 /nfs/dbraw/zinc/22/76/82/211227682.db2.gz LAOZVECXVOAFLI-SFHVURJKSA-N 1 1 370.522 5.045 40 0 FKABMO CCn1cc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3cccs3)on2)c(C)n1 ZINC000019524558 570891540 /nfs/dbraw/zinc/89/15/40/570891540.db2.gz QCHUNCXZVBBTPT-GOSISDBHSA-N 1 1 370.522 5.045 40 0 FKABMO CCn1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3cccs3)on2)c(C)n1 ZINC000019524558 570891538 /nfs/dbraw/zinc/89/15/38/570891538.db2.gz QCHUNCXZVBBTPT-GOSISDBHSA-N 1 1 370.522 5.045 40 0 FKABMO CCn1cc(C[N@H+]2CCCCC[C@H]2c2cc(-c3cccs3)on2)c(C)n1 ZINC000019524559 211227280 /nfs/dbraw/zinc/22/72/80/211227280.db2.gz QCHUNCXZVBBTPT-SFHVURJKSA-N 1 1 370.522 5.045 40 0 FKABMO CCn1cc(C[N@@H+]2CCCCC[C@H]2c2cc(-c3cccs3)on2)c(C)n1 ZINC000019524559 211227277 /nfs/dbraw/zinc/22/72/77/211227277.db2.gz QCHUNCXZVBBTPT-SFHVURJKSA-N 1 1 370.522 5.045 40 0 FKABMO Cc1noc2nc([C@@H]3CCC[N@@H+](C[C@H]4CC=CCC4)C3)cc(C(F)F)c12 ZINC000019564292 220274739 /nfs/dbraw/zinc/27/47/39/220274739.db2.gz HPYMVKBEFDZIKO-LSDHHAIUSA-N 1 1 361.436 5.005 40 0 FKABMO Cc1noc2nc([C@H]3CCC[N@@H+](C[C@H]4CC=CCC4)C3)cc(C(F)F)c12 ZINC000019564295 220274338 /nfs/dbraw/zinc/27/43/38/220274338.db2.gz HPYMVKBEFDZIKO-GJZGRUSLSA-N 1 1 361.436 5.005 40 0 FKABMO Cc1c2cc(F)ccc2[nH]c1C[N@@H+](Cc1ccccc1)Cc1ccncc1 ZINC000019565428 220274704 /nfs/dbraw/zinc/27/47/04/220274704.db2.gz RNRNPDOVSFSSCV-UHFFFAOYSA-N 1 1 359.448 5.213 40 0 FKABMO Cc1c2cc(F)ccc2[nH]c1C[N@H+](Cc1ccccc1)Cc1ccncc1 ZINC000019565428 220274701 /nfs/dbraw/zinc/27/47/01/220274701.db2.gz RNRNPDOVSFSSCV-UHFFFAOYSA-N 1 1 359.448 5.213 40 0 FKABMO Cc1c(C[NH2+][C@@H](Cc2cccs2)c2nccs2)[nH]c2ccc(F)cc12 ZINC000019565532 570894326 /nfs/dbraw/zinc/89/43/26/570894326.db2.gz ZQAKPZKSALPXAO-KRWDZBQOSA-N 1 1 371.506 5.207 40 0 FKABMO Cc1c(C[NH2+][C@H](Cc2cccs2)c2nccs2)[nH]c2ccc(F)cc12 ZINC000019565535 570894281 /nfs/dbraw/zinc/89/42/81/570894281.db2.gz ZQAKPZKSALPXAO-QGZVFWFLSA-N 1 1 371.506 5.207 40 0 FKABMO Cc1c(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)[nH]c2ccc(F)cc12 ZINC000019565543 570893972 /nfs/dbraw/zinc/89/39/72/570893972.db2.gz DNSVMLCESMURED-KRWDZBQOSA-N 1 1 371.506 5.207 40 0 FKABMO Cc1c(C[NH2+][C@H](Cc2ccsc2)c2nccs2)[nH]c2ccc(F)cc12 ZINC000019565546 220273335 /nfs/dbraw/zinc/27/33/35/220273335.db2.gz DNSVMLCESMURED-QGZVFWFLSA-N 1 1 371.506 5.207 40 0 FKABMO Cc1c(C[NH2+][C@@H](Cc2cccs2)c2nccs2)[nH]c2ccccc12 ZINC000019565954 220274276 /nfs/dbraw/zinc/27/42/76/220274276.db2.gz NWCZFAWNGDEDNT-KRWDZBQOSA-N 1 1 353.516 5.068 40 0 FKABMO Cc1c(C[NH2+][C@H](Cc2cccs2)c2nccs2)[nH]c2ccccc12 ZINC000019565957 211236603 /nfs/dbraw/zinc/23/66/03/211236603.db2.gz NWCZFAWNGDEDNT-QGZVFWFLSA-N 1 1 353.516 5.068 40 0 FKABMO Cc1c(C[NH2+][C@@H](Cc2ccsc2)c2nccs2)[nH]c2ccccc12 ZINC000019565960 211236329 /nfs/dbraw/zinc/23/63/29/211236329.db2.gz ICQQMDYYTZTEKE-KRWDZBQOSA-N 1 1 353.516 5.068 40 0 FKABMO Cc1c(C[NH2+][C@H](Cc2ccsc2)c2nccs2)[nH]c2ccccc12 ZINC000019565963 220274599 /nfs/dbraw/zinc/27/45/99/220274599.db2.gz ICQQMDYYTZTEKE-QGZVFWFLSA-N 1 1 353.516 5.068 40 0 FKABMO Cc1nn(C(C)C)c(C)c1C[N@@H+](CCc1ccccc1)Cc1cccs1 ZINC000019577422 263373962 /nfs/dbraw/zinc/37/39/62/263373962.db2.gz XHZIBNRWETVFJQ-UHFFFAOYSA-N 1 1 367.562 5.387 40 0 FKABMO Cc1oc2ccccc2c1C[NH2+][C@@H](Cc1ccsc1)c1nccs1 ZINC000019581955 211238370 /nfs/dbraw/zinc/23/83/70/211238370.db2.gz ZCYNKJRDDNFTLA-KRWDZBQOSA-N 1 1 354.500 5.333 40 0 FKABMO Cc1oc2ccccc2c1C[NH2+][C@H](Cc1ccsc1)c1nccs1 ZINC000019581958 570895340 /nfs/dbraw/zinc/89/53/40/570895340.db2.gz ZCYNKJRDDNFTLA-QGZVFWFLSA-N 1 1 354.500 5.333 40 0 FKABMO COc1ccc2[nH]c(C[N@@H+](Cc3ccccc3)Cc3cccc(C)n3)cc2c1 ZINC000019663021 570897862 /nfs/dbraw/zinc/89/78/62/570897862.db2.gz BMSTWCNZMQXKKJ-UHFFFAOYSA-N 1 1 371.484 5.082 40 0 FKABMO COc1ccc2[nH]c(C[N@H+](Cc3ccccc3)Cc3cccc(C)n3)cc2c1 ZINC000019663021 570897860 /nfs/dbraw/zinc/89/78/60/570897860.db2.gz BMSTWCNZMQXKKJ-UHFFFAOYSA-N 1 1 371.484 5.082 40 0 FKABMO Cc1ncc(C[N@H+]2CCC[C@H]2c2cc(Cc3ccccc3)cc(C)n2)s1 ZINC000019691913 570898933 /nfs/dbraw/zinc/89/89/33/570898933.db2.gz NMZIGZFUBGNBIU-QFIPXVFZSA-N 1 1 363.530 5.083 40 0 FKABMO Cc1ncc(C[N@H+]2CCC[C@@H]2c2cc(Cc3ccccc3)cc(C)n2)s1 ZINC000019691914 220285492 /nfs/dbraw/zinc/28/54/92/220285492.db2.gz NMZIGZFUBGNBIU-JOCHJYFZSA-N 1 1 363.530 5.083 40 0 FKABMO CCc1cccc(CC)c1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000019933233 524069083 /nfs/dbraw/zinc/06/90/83/524069083.db2.gz GZHRVJCNAYFWIC-GOSISDBHSA-N 1 1 364.533 5.296 40 0 FKABMO CCc1cccc(CC)c1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000019933235 570907263 /nfs/dbraw/zinc/90/72/63/570907263.db2.gz GZHRVJCNAYFWIC-SFHVURJKSA-N 1 1 364.533 5.296 40 0 FKABMO Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000020049624 524211063 /nfs/dbraw/zinc/21/10/63/524211063.db2.gz UCAMTVWENPZTGJ-QUCCMNQESA-N 1 1 364.533 5.026 40 0 FKABMO Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000020049626 263377639 /nfs/dbraw/zinc/37/76/39/263377639.db2.gz UCAMTVWENPZTGJ-ICSRJNTNSA-N 1 1 364.533 5.026 40 0 FKABMO Clc1ccc(-c2ccc(C[NH2+]Cc3ccco3)o2)c(Br)c1 ZINC000020158501 526932400 /nfs/dbraw/zinc/93/24/00/526932400.db2.gz MCDYCCNJAUJEFD-UHFFFAOYSA-N 1 1 366.642 5.245 40 0 FKABMO FC(F)(F)c1ccc(Cl)c(-c2ccc(C[NH2+]Cc3ccco3)o2)c1 ZINC000020158575 527682692 /nfs/dbraw/zinc/68/26/92/527682692.db2.gz QWSVRVLIYOKNDJ-UHFFFAOYSA-N 1 1 355.743 5.502 40 0 FKABMO CCSc1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000020450976 521777422 /nfs/dbraw/zinc/77/74/22/521777422.db2.gz CRVMGRNWSQIMBS-QGZVFWFLSA-N 1 1 368.546 5.283 40 0 FKABMO CCSc1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000020450978 521777707 /nfs/dbraw/zinc/77/77/07/521777707.db2.gz CRVMGRNWSQIMBS-KRWDZBQOSA-N 1 1 368.546 5.283 40 0 FKABMO CC(C)c1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000020456563 211281648 /nfs/dbraw/zinc/28/16/48/211281648.db2.gz LJJAMBMXKWIPMJ-GOSISDBHSA-N 1 1 350.506 5.294 40 0 FKABMO CC(C)c1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000020456564 211282443 /nfs/dbraw/zinc/28/24/43/211282443.db2.gz LJJAMBMXKWIPMJ-SFHVURJKSA-N 1 1 350.506 5.294 40 0 FKABMO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000020459642 525909863 /nfs/dbraw/zinc/90/98/63/525909863.db2.gz GWEMPGCEXUVECL-QUCCMNQESA-N 1 1 364.533 5.026 40 0 FKABMO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c(C)c1 ZINC000020459643 263381771 /nfs/dbraw/zinc/38/17/71/263381771.db2.gz GWEMPGCEXUVECL-ICSRJNTNSA-N 1 1 364.533 5.026 40 0 FKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cccc4ccccc43)cc2)C1 ZINC000020490810 211283514 /nfs/dbraw/zinc/28/35/14/211283514.db2.gz WCNKLULQXCGKBP-GOSISDBHSA-N 1 1 358.485 5.324 40 0 FKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3cccc4ccccc43)cc2)C1 ZINC000020490812 220329329 /nfs/dbraw/zinc/32/93/29/220329329.db2.gz WCNKLULQXCGKBP-SFHVURJKSA-N 1 1 358.485 5.324 40 0 FKABMO CCCCc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000022511213 570944525 /nfs/dbraw/zinc/94/45/25/570944525.db2.gz IMZZBRBVXSPQDY-LJQANCHMSA-N 1 1 364.533 5.513 40 0 FKABMO CCCCc1ccc(NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000022511217 211352386 /nfs/dbraw/zinc/35/23/86/211352386.db2.gz IMZZBRBVXSPQDY-IBGZPJMESA-N 1 1 364.533 5.513 40 0 FKABMO Cc1c(Cl)cccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000022531109 211354480 /nfs/dbraw/zinc/35/44/80/211354480.db2.gz ANYVIXQULMILHI-OAHLLOKOSA-N 1 1 356.897 5.133 40 0 FKABMO Cc1c(Cl)cccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000022531114 570946016 /nfs/dbraw/zinc/94/60/16/570946016.db2.gz ANYVIXQULMILHI-HNNXBMFYSA-N 1 1 356.897 5.133 40 0 FKABMO CC(C)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000022532004 570945874 /nfs/dbraw/zinc/94/58/74/570945874.db2.gz HBJMESRJYLWUEC-GOSISDBHSA-N 1 1 350.506 5.294 40 0 FKABMO CC(C)c1ccccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000022532009 211355404 /nfs/dbraw/zinc/35/54/04/211355404.db2.gz HBJMESRJYLWUEC-SFHVURJKSA-N 1 1 350.506 5.294 40 0 FKABMO Cc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000026439927 568648444 /nfs/dbraw/zinc/64/84/44/568648444.db2.gz BCRCBMUYJMQKMF-CLJLJLNGSA-N 1 1 370.540 5.143 40 0 FKABMO Cc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000026439927 568648443 /nfs/dbraw/zinc/64/84/43/568648443.db2.gz BCRCBMUYJMQKMF-CLJLJLNGSA-N 1 1 370.540 5.143 40 0 FKABMO Cc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000026439927 568648442 /nfs/dbraw/zinc/64/84/42/568648442.db2.gz BCRCBMUYJMQKMF-CLJLJLNGSA-N 1 1 370.540 5.143 40 0 FKABMO Cc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000026439931 568648457 /nfs/dbraw/zinc/64/84/57/568648457.db2.gz BCRCBMUYJMQKMF-FTJBHMTQSA-N 1 1 370.540 5.143 40 0 FKABMO Cc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000026439931 568648456 /nfs/dbraw/zinc/64/84/56/568648456.db2.gz BCRCBMUYJMQKMF-FTJBHMTQSA-N 1 1 370.540 5.143 40 0 FKABMO Cc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2c2ccccc2)c1 ZINC000026439931 568648455 /nfs/dbraw/zinc/64/84/55/568648455.db2.gz BCRCBMUYJMQKMF-FTJBHMTQSA-N 1 1 370.540 5.143 40 0 FKABMO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000026440143 568648676 /nfs/dbraw/zinc/64/86/76/568648676.db2.gz IWJZDETVJSSMLD-LPPUWEFUSA-N 1 1 370.540 5.396 40 0 FKABMO C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000026440143 568648675 /nfs/dbraw/zinc/64/86/75/568648675.db2.gz IWJZDETVJSSMLD-LPPUWEFUSA-N 1 1 370.540 5.396 40 0 FKABMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000026440148 568648655 /nfs/dbraw/zinc/64/86/55/568648655.db2.gz IWJZDETVJSSMLD-RMUDUWAUSA-N 1 1 370.540 5.396 40 0 FKABMO C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000026440148 568648654 /nfs/dbraw/zinc/64/86/54/568648654.db2.gz IWJZDETVJSSMLD-RMUDUWAUSA-N 1 1 370.540 5.396 40 0 FKABMO C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000026440152 568648690 /nfs/dbraw/zinc/64/86/90/568648690.db2.gz IWJZDETVJSSMLD-QGDZQMKYSA-N 1 1 370.540 5.396 40 0 FKABMO C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000026440152 568648689 /nfs/dbraw/zinc/64/86/89/568648689.db2.gz IWJZDETVJSSMLD-QGDZQMKYSA-N 1 1 370.540 5.396 40 0 FKABMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000026440154 568648668 /nfs/dbraw/zinc/64/86/68/568648668.db2.gz IWJZDETVJSSMLD-BYXVTNLJSA-N 1 1 370.540 5.396 40 0 FKABMO C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000026440154 568648667 /nfs/dbraw/zinc/64/86/67/568648667.db2.gz IWJZDETVJSSMLD-BYXVTNLJSA-N 1 1 370.540 5.396 40 0 FKABMO CC(C)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220370 571027774 /nfs/dbraw/zinc/02/77/74/571027774.db2.gz ZPKWYPBQGAAYHP-LJQANCHMSA-N 1 1 370.924 5.314 40 0 FKABMO CC(C)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)cc1 ZINC000028220375 571027852 /nfs/dbraw/zinc/02/78/52/571027852.db2.gz ZPKWYPBQGAAYHP-IBGZPJMESA-N 1 1 370.924 5.314 40 0 FKABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C)cc1 ZINC000030852456 208005723 /nfs/dbraw/zinc/00/57/23/208005723.db2.gz UWLIKCAVLAGWLH-AUSIDOKSSA-N 1 1 364.533 5.108 40 0 FKABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)c1ccc(C)cc1 ZINC000030852460 571050900 /nfs/dbraw/zinc/05/09/00/571050900.db2.gz UWLIKCAVLAGWLH-XXBNENTESA-N 1 1 364.533 5.108 40 0 FKABMO CCCCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000030938225 571052585 /nfs/dbraw/zinc/05/25/85/571052585.db2.gz KAQQSJYMCCRWOX-HXUWFJFHSA-N 1 1 368.496 5.019 40 0 FKABMO CCCCc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000030938227 211526585 /nfs/dbraw/zinc/52/65/85/211526585.db2.gz KAQQSJYMCCRWOX-FQEVSTJZSA-N 1 1 368.496 5.019 40 0 FKABMO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c(C)c1 ZINC000036067595 570693754 /nfs/dbraw/zinc/69/37/54/570693754.db2.gz GWEMPGCEXUVECL-AZUAARDMSA-N 1 1 364.533 5.026 40 0 FKABMO Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000036093813 570693597 /nfs/dbraw/zinc/69/35/97/570693597.db2.gz UCAMTVWENPZTGJ-AZUAARDMSA-N 1 1 364.533 5.026 40 0 FKABMO Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000037065733 570765919 /nfs/dbraw/zinc/76/59/19/570765919.db2.gz SQVXINVALFBTPV-MFEFFIJZSA-N 1 1 360.501 5.378 40 0 FKABMO Cc1cccc(C(C)C)c1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000038771924 211701303 /nfs/dbraw/zinc/70/13/03/211701303.db2.gz PUSUBNIKAHRONM-SFHVURJKSA-N 1 1 364.533 5.603 40 0 FKABMO Cc1cccc(C(C)C)c1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000038771926 571086641 /nfs/dbraw/zinc/08/66/41/571086641.db2.gz PUSUBNIKAHRONM-GOSISDBHSA-N 1 1 364.533 5.603 40 0 FKABMO CC[C@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(C)cc1 ZINC000038783393 263399016 /nfs/dbraw/zinc/39/90/16/263399016.db2.gz UWLIKCAVLAGWLH-CVDCTZTESA-N 1 1 364.533 5.108 40 0 FKABMO CC[C@@H](NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)c1ccc(C)cc1 ZINC000038783395 263399108 /nfs/dbraw/zinc/39/91/08/263399108.db2.gz UWLIKCAVLAGWLH-WMZHIEFXSA-N 1 1 364.533 5.108 40 0 FKABMO CC(C)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038833695 571087254 /nfs/dbraw/zinc/08/72/54/571087254.db2.gz BHODJWGCRLBULR-LJQANCHMSA-N 1 1 370.924 5.314 40 0 FKABMO CC(C)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)cc1 ZINC000038833696 205043406 /nfs/dbraw/zinc/04/34/06/205043406.db2.gz BHODJWGCRLBULR-IBGZPJMESA-N 1 1 370.924 5.314 40 0 FKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)C1 ZINC000038834150 571087129 /nfs/dbraw/zinc/08/71/29/571087129.db2.gz OSNQOSQTLZZGFP-GOSISDBHSA-N 1 1 358.485 5.324 40 0 FKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)C1 ZINC000038834151 220858761 /nfs/dbraw/zinc/85/87/61/220858761.db2.gz OSNQOSQTLZZGFP-SFHVURJKSA-N 1 1 358.485 5.324 40 0 FKABMO Cc1cc(Cl)ccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000038849533 571087807 /nfs/dbraw/zinc/08/78/07/571087807.db2.gz VSMIEEZIUAJSCJ-HNNXBMFYSA-N 1 1 356.897 5.133 40 0 FKABMO Cc1cc(Cl)ccc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000038849534 571087810 /nfs/dbraw/zinc/08/78/10/571087810.db2.gz VSMIEEZIUAJSCJ-OAHLLOKOSA-N 1 1 356.897 5.133 40 0 FKABMO Cc1ccc(Cl)cc1NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000038849589 205042770 /nfs/dbraw/zinc/04/27/70/205042770.db2.gz UOOOBFHXJKEXJU-HNNXBMFYSA-N 1 1 356.897 5.133 40 0 FKABMO Cc1ccc(Cl)cc1NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000038849590 571087772 /nfs/dbraw/zinc/08/77/72/571087772.db2.gz UOOOBFHXJKEXJU-OAHLLOKOSA-N 1 1 356.897 5.133 40 0 FKABMO Cc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1Cl ZINC000038849699 208208203 /nfs/dbraw/zinc/20/82/03/208208203.db2.gz ASYUVORZLPVCRY-HNNXBMFYSA-N 1 1 356.897 5.133 40 0 FKABMO Cc1ccc(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1Cl ZINC000038849700 208207598 /nfs/dbraw/zinc/20/75/98/208207598.db2.gz ASYUVORZLPVCRY-OAHLLOKOSA-N 1 1 356.897 5.133 40 0 FKABMO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c(C)c1 ZINC000038856054 571088123 /nfs/dbraw/zinc/08/81/23/571088123.db2.gz SRXFNIMZKAIERA-LJQANCHMSA-N 1 1 370.924 5.116 40 0 FKABMO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)c(C)c1 ZINC000038856056 571088193 /nfs/dbraw/zinc/08/81/93/571088193.db2.gz SRXFNIMZKAIERA-IBGZPJMESA-N 1 1 370.924 5.116 40 0 FKABMO Cc1cc(C)c(NC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)c(C)c1 ZINC000038856139 571088314 /nfs/dbraw/zinc/08/83/14/571088314.db2.gz YNPFIVIYFQHHRV-INIZCTEOSA-N 1 1 350.506 5.096 40 0 FKABMO Cc1cc(C)c(NC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000038856141 208209080 /nfs/dbraw/zinc/20/90/80/208209080.db2.gz YNPFIVIYFQHHRV-MRXNPFEDSA-N 1 1 350.506 5.096 40 0 FKABMO CC(C)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038856675 571088339 /nfs/dbraw/zinc/08/83/39/571088339.db2.gz OZBUSZQXHQJJEA-GOSISDBHSA-N 1 1 370.924 5.314 40 0 FKABMO CC(C)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038856677 205042982 /nfs/dbraw/zinc/04/29/82/205042982.db2.gz OZBUSZQXHQJJEA-SFHVURJKSA-N 1 1 370.924 5.314 40 0 FKABMO CCc1cccc(C)c1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038856903 208207941 /nfs/dbraw/zinc/20/79/41/208207941.db2.gz XYXHDZWAUQKVMG-LJQANCHMSA-N 1 1 370.924 5.062 40 0 FKABMO CCc1cccc(C)c1NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038856905 208207191 /nfs/dbraw/zinc/20/71/91/208207191.db2.gz XYXHDZWAUQKVMG-IBGZPJMESA-N 1 1 370.924 5.062 40 0 FKABMO CCc1cccc(C)c1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000038856983 205043150 /nfs/dbraw/zinc/04/31/50/205043150.db2.gz FQXZRGFQWRBRQY-KRWDZBQOSA-N 1 1 350.506 5.042 40 0 FKABMO CCc1cccc(C)c1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000038856986 571088092 /nfs/dbraw/zinc/08/80/92/571088092.db2.gz FQXZRGFQWRBRQY-QGZVFWFLSA-N 1 1 350.506 5.042 40 0 FKABMO Cc1cccc(C(C)C)c1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038859918 205044726 /nfs/dbraw/zinc/04/47/26/205044726.db2.gz NESFCNSDXJJWFL-LJQANCHMSA-N 1 1 368.496 5.108 40 0 FKABMO Cc1cccc(C(C)C)c1NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000038859922 571088330 /nfs/dbraw/zinc/08/83/30/571088330.db2.gz NESFCNSDXJJWFL-IBGZPJMESA-N 1 1 368.496 5.108 40 0 FKABMO C[N@H+](C/C=C\c1ccccc1)CCOC(c1ccccc1)c1ccccc1 ZINC000040163421 571306332 /nfs/dbraw/zinc/30/63/32/571306332.db2.gz QTKQVDXGCWKEHE-KAMYIIQDSA-N 1 1 357.497 5.438 40 0 FKABMO CCOC(=O)c1ccc(Nc2cc[nH+]c3ccc(C(F)(F)F)cc23)cc1 ZINC000040175523 205061863 /nfs/dbraw/zinc/06/18/63/205061863.db2.gz SAYFTTXMJPBKOF-UHFFFAOYSA-N 1 1 360.335 5.174 40 0 FKABMO CCOC(=O)c1cccc(Nc2cc[nH+]c3ccc(C(F)(F)F)cc23)c1 ZINC000040175526 208241017 /nfs/dbraw/zinc/24/10/17/208241017.db2.gz YLCUZTJTPVRTIE-UHFFFAOYSA-N 1 1 360.335 5.174 40 0 FKABMO CCCCCC[C@@H](C[NH+](CCCC)CCCC)N(CCCC)CCCC ZINC000043752078 571226901 /nfs/dbraw/zinc/22/69/01/571226901.db2.gz RZLYLUPSEZKQSN-DEOSSOPVSA-N 1 1 368.694 7.130 40 0 FKABMO CCCCCC[C@H](C[NH+](CCCC)CCCC)N(CCCC)CCCC ZINC000043752080 571226968 /nfs/dbraw/zinc/22/69/68/571226968.db2.gz RZLYLUPSEZKQSN-XMMPIXPASA-N 1 1 368.694 7.130 40 0 FKABMO Cc1cc(C)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c(C)c1 ZINC000044786858 571102160 /nfs/dbraw/zinc/10/21/60/571102160.db2.gz HOFUWJRUACBRQR-LJQANCHMSA-N 1 1 370.924 5.116 40 0 FKABMO Cc1cc(C)c(NC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)c(C)c1 ZINC000044786860 571102227 /nfs/dbraw/zinc/10/22/27/571102227.db2.gz HOFUWJRUACBRQR-IBGZPJMESA-N 1 1 370.924 5.116 40 0 FKABMO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1C ZINC000044856407 571306298 /nfs/dbraw/zinc/30/62/98/571306298.db2.gz ZKNQJRWTDLSMKQ-FXAWDEMLSA-N 1 1 364.533 5.026 40 0 FKABMO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1C ZINC000044856408 571306335 /nfs/dbraw/zinc/30/63/35/571306335.db2.gz ZKNQJRWTDLSMKQ-PXNSSMCTSA-N 1 1 364.533 5.026 40 0 FKABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 ZINC000044914945 571104785 /nfs/dbraw/zinc/10/47/85/571104785.db2.gz NUDOMGHODUGNDE-UHFFFAOYSA-N 1 1 367.452 5.159 40 0 FKABMO Cc1ccc2oc([C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 ZINC000049168842 206086284 /nfs/dbraw/zinc/08/62/84/206086284.db2.gz BAOCANISKWSGIX-HNNXBMFYSA-N 1 1 360.379 5.145 40 0 biogenic,in-vitro FKABMO FC(F)(F)c1ccc(C[N@H+]2CC[C@H](c3nc4ccccc4s3)C2)cc1 ZINC000049168965 209334247 /nfs/dbraw/zinc/33/42/47/209334247.db2.gz VKKAIPKMPSFGOJ-AWEZNQCLSA-N 1 1 362.420 5.305 40 0 biogenic,in-vitro FKABMO Clc1ccc(-c2nnc([C@H]3CC[N@@H+](Cc4ccccc4Cl)C3)o2)cc1 ZINC000049169400 221020157 /nfs/dbraw/zinc/02/01/57/221020157.db2.gz WWFNNTUFQKZCSK-HNNXBMFYSA-N 1 1 374.271 5.033 40 0 biogenic,in-vitro FKABMO CCOP(=O)(OCC)[C@H]([NH2+]C1CCCCC1)c1ccc(Cl)cc1 ZINC000065090430 205317341 /nfs/dbraw/zinc/31/73/41/205317341.db2.gz HXEANZFZHCQFHA-KRWDZBQOSA-N 1 1 359.834 5.527 40 0 FKABMO CCOP(=O)(OCC)[C@@H]([NH2+]C1CCCCC1)c1ccc(Cl)cc1 ZINC000065090431 571141515 /nfs/dbraw/zinc/14/15/15/571141515.db2.gz HXEANZFZHCQFHA-QGZVFWFLSA-N 1 1 359.834 5.527 40 0 FKABMO c1ccc(COc2ccc([C@H]3CCCC[N@H+]3Cc3ccccc3)cn2)cc1 ZINC000072212045 570528117 /nfs/dbraw/zinc/52/81/17/570528117.db2.gz GFMAJFRLAZITRO-HSZRJFAPSA-N 1 1 358.485 5.388 40 0 FKABMO c1ccc(COc2ccc([C@@H]3CCCC[N@H+]3Cc3ccccc3)cn2)cc1 ZINC000072212046 570528046 /nfs/dbraw/zinc/52/80/46/570528046.db2.gz GFMAJFRLAZITRO-QHCPKHFHSA-N 1 1 358.485 5.388 40 0 FKABMO c1ccc(COc2ncccc2[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000072212105 570528012 /nfs/dbraw/zinc/52/80/12/570528012.db2.gz HVZCMDBSUNHBTP-HSZRJFAPSA-N 1 1 358.485 5.388 40 0 FKABMO c1ccc(COc2ncccc2[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000072212106 570528102 /nfs/dbraw/zinc/52/81/02/570528102.db2.gz HVZCMDBSUNHBTP-QHCPKHFHSA-N 1 1 358.485 5.388 40 0 FKABMO CC(C)N(c1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1)C(C)C ZINC000072212982 570528783 /nfs/dbraw/zinc/52/87/83/570528783.db2.gz KHUDMFJGFBZGMZ-QFIPXVFZSA-N 1 1 351.538 5.432 40 0 FKABMO CC(C)N(c1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1)C(C)C ZINC000072212983 570528633 /nfs/dbraw/zinc/52/86/33/570528633.db2.gz KHUDMFJGFBZGMZ-JOCHJYFZSA-N 1 1 351.538 5.432 40 0 FKABMO CC(C)N(c1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(C)C ZINC000072213042 570528673 /nfs/dbraw/zinc/52/86/73/570528673.db2.gz OYXCWEJFTGANMW-QFIPXVFZSA-N 1 1 351.538 5.432 40 0 FKABMO CC(C)N(c1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1)C(C)C ZINC000072213043 570528381 /nfs/dbraw/zinc/52/83/81/570528381.db2.gz OYXCWEJFTGANMW-JOCHJYFZSA-N 1 1 351.538 5.432 40 0 FKABMO CN(c1ccccc1)c1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214224 570529591 /nfs/dbraw/zinc/52/95/91/570529591.db2.gz FRBIDQLPOBIFGH-QHCPKHFHSA-N 1 1 357.501 5.577 40 0 FKABMO CN(c1ccccc1)c1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214225 570529494 /nfs/dbraw/zinc/52/94/94/570529494.db2.gz FRBIDQLPOBIFGH-HSZRJFAPSA-N 1 1 357.501 5.577 40 0 FKABMO CN(c1ccccc1)c1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072214284 570530169 /nfs/dbraw/zinc/53/01/69/570530169.db2.gz CTJZTIBPMVTCJN-QHCPKHFHSA-N 1 1 357.501 5.577 40 0 FKABMO CN(c1ccccc1)c1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072214285 570530101 /nfs/dbraw/zinc/53/01/01/570530101.db2.gz CTJZTIBPMVTCJN-HSZRJFAPSA-N 1 1 357.501 5.577 40 0 FKABMO CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214344 570529873 /nfs/dbraw/zinc/52/98/73/570529873.db2.gz KAQQKJYFOBXLAK-IBGZPJMESA-N 1 1 367.493 5.156 40 0 FKABMO CC(C)(C)OC(=O)Nc1ccc([C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000072214345 570529937 /nfs/dbraw/zinc/52/99/37/570529937.db2.gz KAQQKJYFOBXLAK-LJQANCHMSA-N 1 1 367.493 5.156 40 0 FKABMO CC(C)(C)OC(=O)Nc1ncccc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072214404 570530010 /nfs/dbraw/zinc/53/00/10/570530010.db2.gz NEEBFTCUNCZNKS-IBGZPJMESA-N 1 1 367.493 5.156 40 0 FKABMO CC(C)(C)OC(=O)Nc1ncccc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000072214405 570530124 /nfs/dbraw/zinc/53/01/24/570530124.db2.gz NEEBFTCUNCZNKS-LJQANCHMSA-N 1 1 367.493 5.156 40 0 FKABMO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072214557 570530151 /nfs/dbraw/zinc/53/01/51/570530151.db2.gz FLDZYMYCWPJIKH-SFHVURJKSA-N 1 1 361.530 5.024 40 0 FKABMO CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072214558 570530077 /nfs/dbraw/zinc/53/00/77/570530077.db2.gz FLDZYMYCWPJIKH-GOSISDBHSA-N 1 1 361.530 5.024 40 0 FKABMO CCC[N@H+]1CCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214559 570530054 /nfs/dbraw/zinc/53/00/54/570530054.db2.gz ULZQGROYUTUFOD-GOSISDBHSA-N 1 1 361.530 5.026 40 0 FKABMO CCC[N@H+]1CCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214560 570529864 /nfs/dbraw/zinc/52/98/64/570529864.db2.gz ULZQGROYUTUFOD-SFHVURJKSA-N 1 1 361.530 5.026 40 0 FKABMO CC[N@H+]1CCCC[C@@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214574 570530095 /nfs/dbraw/zinc/53/00/95/570530095.db2.gz QQELROOZVCRIQC-GOSISDBHSA-N 1 1 361.530 5.026 40 0 FKABMO CC[N@H+]1CCCC[C@H]1c1ccc(N(CC(C)C)C(=O)OC(C)(C)C)nc1 ZINC000072214575 570530030 /nfs/dbraw/zinc/53/00/30/570530030.db2.gz QQELROOZVCRIQC-SFHVURJKSA-N 1 1 361.530 5.026 40 0 FKABMO CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072214640 570529883 /nfs/dbraw/zinc/52/98/83/570529883.db2.gz PSIXEMOOVYWOSZ-SFHVURJKSA-N 1 1 361.530 5.026 40 0 FKABMO CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2CC(C)C)cn1 ZINC000072214641 570529916 /nfs/dbraw/zinc/52/99/16/570529916.db2.gz PSIXEMOOVYWOSZ-GOSISDBHSA-N 1 1 361.530 5.026 40 0 FKABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 ZINC000072214642 570529970 /nfs/dbraw/zinc/52/99/70/570529970.db2.gz NUNNEUHLGVLVPZ-GOSISDBHSA-N 1 1 361.530 5.170 40 0 FKABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N(CC)C(=O)OC(C)(C)C)nc1 ZINC000072214643 570529852 /nfs/dbraw/zinc/52/98/52/570529852.db2.gz NUNNEUHLGVLVPZ-SFHVURJKSA-N 1 1 361.530 5.170 40 0 FKABMO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072214681 570530043 /nfs/dbraw/zinc/53/00/43/570530043.db2.gz DULBAIIRTIPUFQ-SFHVURJKSA-N 1 1 361.530 5.026 40 0 FKABMO CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000072214682 570530086 /nfs/dbraw/zinc/53/00/86/570530086.db2.gz DULBAIIRTIPUFQ-GOSISDBHSA-N 1 1 361.530 5.026 40 0 FKABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N(CCC)C(=O)OC(C)(C)C)nc1 ZINC000072214683 570529996 /nfs/dbraw/zinc/52/99/96/570529996.db2.gz SJPJEGBTOQDLTL-GOSISDBHSA-N 1 1 361.530 5.170 40 0 FKABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N(CCC)C(=O)OC(C)(C)C)nc1 ZINC000072214684 570530107 /nfs/dbraw/zinc/53/01/07/570530107.db2.gz SJPJEGBTOQDLTL-SFHVURJKSA-N 1 1 361.530 5.170 40 0 FKABMO CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2CCC)cn1 ZINC000072214696 570529926 /nfs/dbraw/zinc/52/99/26/570529926.db2.gz AYTGCTFRUCNTNZ-GOSISDBHSA-N 1 1 361.530 5.170 40 0 FKABMO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2CCC)cn1 ZINC000072214697 570529841 /nfs/dbraw/zinc/52/98/41/570529841.db2.gz AYTGCTFRUCNTNZ-SFHVURJKSA-N 1 1 361.530 5.170 40 0 FKABMO CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072214698 570529887 /nfs/dbraw/zinc/52/98/87/570529887.db2.gz SCMHPBPKBOWNEA-SFHVURJKSA-N 1 1 361.530 5.169 40 0 FKABMO CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072214699 570530133 /nfs/dbraw/zinc/53/01/33/570530133.db2.gz SCMHPBPKBOWNEA-GOSISDBHSA-N 1 1 361.530 5.169 40 0 FKABMO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1CC(C)C ZINC000072214741 570530322 /nfs/dbraw/zinc/53/03/22/570530322.db2.gz GADIMLFFPZYYPJ-SFHVURJKSA-N 1 1 361.530 5.026 40 0 FKABMO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1CC(C)C ZINC000072214742 570530517 /nfs/dbraw/zinc/53/05/17/570530517.db2.gz GADIMLFFPZYYPJ-GOSISDBHSA-N 1 1 361.530 5.026 40 0 FKABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1N(CCC)C(=O)OC(C)(C)C ZINC000072214743 570530555 /nfs/dbraw/zinc/53/05/55/570530555.db2.gz OQECNOZQWXPFRL-GOSISDBHSA-N 1 1 361.530 5.170 40 0 FKABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1N(CCC)C(=O)OC(C)(C)C ZINC000072214744 570530332 /nfs/dbraw/zinc/53/03/32/570530332.db2.gz OQECNOZQWXPFRL-SFHVURJKSA-N 1 1 361.530 5.170 40 0 FKABMO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1CCC ZINC000072214756 570530653 /nfs/dbraw/zinc/53/06/53/570530653.db2.gz UUJWQFUQRFNTGO-GOSISDBHSA-N 1 1 361.530 5.170 40 0 FKABMO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1CCC ZINC000072214757 570530550 /nfs/dbraw/zinc/53/05/50/570530550.db2.gz UUJWQFUQRFNTGO-SFHVURJKSA-N 1 1 361.530 5.170 40 0 FKABMO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072214758 570530657 /nfs/dbraw/zinc/53/06/57/570530657.db2.gz NXHFUQTVSOVQDV-SFHVURJKSA-N 1 1 361.530 5.169 40 0 FKABMO CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072214759 570530540 /nfs/dbraw/zinc/53/05/40/570530540.db2.gz NXHFUQTVSOVQDV-GOSISDBHSA-N 1 1 361.530 5.169 40 0 FKABMO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1CC(C)C ZINC000072214820 570530662 /nfs/dbraw/zinc/53/06/62/570530662.db2.gz JDJSSMOFFGDTQS-SFHVURJKSA-N 1 1 361.530 5.026 40 0 FKABMO CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1CC(C)C ZINC000072214821 570530617 /nfs/dbraw/zinc/53/06/17/570530617.db2.gz JDJSSMOFFGDTQS-GOSISDBHSA-N 1 1 361.530 5.026 40 0 FKABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214822 570530487 /nfs/dbraw/zinc/53/04/87/570530487.db2.gz QSSFKIDHSJKRJN-GOSISDBHSA-N 1 1 361.530 5.170 40 0 FKABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1N(CC)C(=O)OC(C)(C)C ZINC000072214823 570530582 /nfs/dbraw/zinc/53/05/82/570530582.db2.gz QSSFKIDHSJKRJN-SFHVURJKSA-N 1 1 361.530 5.170 40 0 FKABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214861 570530509 /nfs/dbraw/zinc/53/05/09/570530509.db2.gz QULLXQWXIGPPBI-GOSISDBHSA-N 1 1 361.530 5.024 40 0 FKABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214862 570530482 /nfs/dbraw/zinc/53/04/82/570530482.db2.gz QULLXQWXIGPPBI-SFHVURJKSA-N 1 1 361.530 5.024 40 0 FKABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214863 570530607 /nfs/dbraw/zinc/53/06/07/570530607.db2.gz BRVWSOQKNJLNMK-GOSISDBHSA-N 1 1 361.530 5.169 40 0 FKABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214864 570530428 /nfs/dbraw/zinc/53/04/28/570530428.db2.gz BRVWSOQKNJLNMK-SFHVURJKSA-N 1 1 361.530 5.169 40 0 FKABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214876 570530350 /nfs/dbraw/zinc/53/03/50/570530350.db2.gz IASFAFJUOKIVNC-GOSISDBHSA-N 1 1 361.530 5.169 40 0 FKABMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C(C)C)nc1 ZINC000072214877 570530576 /nfs/dbraw/zinc/53/05/76/570530576.db2.gz IASFAFJUOKIVNC-SFHVURJKSA-N 1 1 361.530 5.169 40 0 FKABMO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072214878 570530642 /nfs/dbraw/zinc/53/06/42/570530642.db2.gz LJKUOEHHRQLDFT-GOSISDBHSA-N 1 1 361.530 5.167 40 0 FKABMO CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2C(C)C)cn1 ZINC000072214879 570530525 /nfs/dbraw/zinc/53/05/25/570530525.db2.gz LJKUOEHHRQLDFT-SFHVURJKSA-N 1 1 361.530 5.167 40 0 FKABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214921 570530624 /nfs/dbraw/zinc/53/06/24/570530624.db2.gz XHDPYAXMVITFLT-GOSISDBHSA-N 1 1 361.530 5.024 40 0 FKABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214922 570530390 /nfs/dbraw/zinc/53/03/90/570530390.db2.gz XHDPYAXMVITFLT-SFHVURJKSA-N 1 1 361.530 5.024 40 0 FKABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214923 570530599 /nfs/dbraw/zinc/53/05/99/570530599.db2.gz QTYWKGHCZMEWBH-GOSISDBHSA-N 1 1 361.530 5.169 40 0 FKABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214924 570530417 /nfs/dbraw/zinc/53/04/17/570530417.db2.gz QTYWKGHCZMEWBH-SFHVURJKSA-N 1 1 361.530 5.169 40 0 FKABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214936 570530373 /nfs/dbraw/zinc/53/03/73/570530373.db2.gz NHKRJQUCCQUWAC-GOSISDBHSA-N 1 1 361.530 5.169 40 0 FKABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C(C)C ZINC000072214937 570530498 /nfs/dbraw/zinc/53/04/98/570530498.db2.gz NHKRJQUCCQUWAC-SFHVURJKSA-N 1 1 361.530 5.169 40 0 FKABMO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1C(C)C ZINC000072214938 570530569 /nfs/dbraw/zinc/53/05/69/570530569.db2.gz SUKNHVXKVYYYPU-GOSISDBHSA-N 1 1 361.530 5.167 40 0 FKABMO CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1C(C)C ZINC000072214939 570530638 /nfs/dbraw/zinc/53/06/38/570530638.db2.gz SUKNHVXKVYYYPU-SFHVURJKSA-N 1 1 361.530 5.167 40 0 FKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072214977 570530633 /nfs/dbraw/zinc/53/06/33/570530633.db2.gz NRSXOTMCVAQGOU-SFHVURJKSA-N 1 1 361.530 5.169 40 0 FKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072214978 570530589 /nfs/dbraw/zinc/53/05/89/570530589.db2.gz NRSXOTMCVAQGOU-GOSISDBHSA-N 1 1 361.530 5.169 40 0 FKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2CCC)cn1 ZINC000072214979 570530403 /nfs/dbraw/zinc/53/04/03/570530403.db2.gz LZFPWXSQPQBGRK-SFHVURJKSA-N 1 1 361.530 5.170 40 0 FKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2CCC)cn1 ZINC000072214980 570530469 /nfs/dbraw/zinc/53/04/69/570530469.db2.gz LZFPWXSQPQBGRK-GOSISDBHSA-N 1 1 361.530 5.170 40 0 FKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2CC)cn1 ZINC000072214994 570530562 /nfs/dbraw/zinc/53/05/62/570530562.db2.gz GLBJRQHKZBVNLG-SFHVURJKSA-N 1 1 361.530 5.170 40 0 FKABMO CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2CC)cn1 ZINC000072214995 570530447 /nfs/dbraw/zinc/53/04/47/570530447.db2.gz GLBJRQHKZBVNLG-GOSISDBHSA-N 1 1 361.530 5.170 40 0 FKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072215037 570530646 /nfs/dbraw/zinc/53/06/46/570530646.db2.gz LGEIMSXWYIZDLH-SFHVURJKSA-N 1 1 361.530 5.169 40 0 FKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1C(C)C ZINC000072215038 570530533 /nfs/dbraw/zinc/53/05/33/570530533.db2.gz LGEIMSXWYIZDLH-GOSISDBHSA-N 1 1 361.530 5.169 40 0 FKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1CCC ZINC000072215039 570531078 /nfs/dbraw/zinc/53/10/78/570531078.db2.gz DJIQMLUQBKQOPW-SFHVURJKSA-N 1 1 361.530 5.170 40 0 FKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1CCC ZINC000072215040 570530810 /nfs/dbraw/zinc/53/08/10/570530810.db2.gz DJIQMLUQBKQOPW-GOSISDBHSA-N 1 1 361.530 5.170 40 0 FKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1CC ZINC000072215054 570531106 /nfs/dbraw/zinc/53/11/06/570531106.db2.gz SYQKKCGIESNSRO-SFHVURJKSA-N 1 1 361.530 5.170 40 0 FKABMO CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1CC ZINC000072215055 570531097 /nfs/dbraw/zinc/53/10/97/570531097.db2.gz SYQKKCGIESNSRO-GOSISDBHSA-N 1 1 361.530 5.170 40 0 FKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072215115 570530936 /nfs/dbraw/zinc/53/09/36/570530936.db2.gz GPXIWYQIHNNMMD-AEFFLSMTSA-N 1 1 361.530 5.167 40 0 FKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072215116 570531045 /nfs/dbraw/zinc/53/10/45/570531045.db2.gz GPXIWYQIHNNMMD-WMZOPIPTSA-N 1 1 361.530 5.167 40 0 FKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072215117 570531009 /nfs/dbraw/zinc/53/10/09/570531009.db2.gz GPXIWYQIHNNMMD-SJLPKXTDSA-N 1 1 361.530 5.167 40 0 FKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@H+]2C(C)C)cn1 ZINC000072215118 570531112 /nfs/dbraw/zinc/53/11/12/570531112.db2.gz GPXIWYQIHNNMMD-FUHWJXTLSA-N 1 1 361.530 5.167 40 0 FKABMO CCC[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215119 570531121 /nfs/dbraw/zinc/53/11/21/570531121.db2.gz DVFGELBPMWYQMT-FUHWJXTLSA-N 1 1 361.530 5.169 40 0 FKABMO CCC[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@@H](C)CC)nc1 ZINC000072215120 570530992 /nfs/dbraw/zinc/53/09/92/570530992.db2.gz DVFGELBPMWYQMT-WMZOPIPTSA-N 1 1 361.530 5.169 40 0 FKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2CC)cn1 ZINC000072215145 570531065 /nfs/dbraw/zinc/53/10/65/570531065.db2.gz QDFIDWLGSAYJAM-AEFFLSMTSA-N 1 1 361.530 5.169 40 0 FKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@H+]2CC)cn1 ZINC000072215146 570531126 /nfs/dbraw/zinc/53/11/26/570531126.db2.gz QDFIDWLGSAYJAM-WMZOPIPTSA-N 1 1 361.530 5.169 40 0 FKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2CC)cn1 ZINC000072215147 570531053 /nfs/dbraw/zinc/53/10/53/570531053.db2.gz QDFIDWLGSAYJAM-SJLPKXTDSA-N 1 1 361.530 5.169 40 0 FKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@H+]2CC)cn1 ZINC000072215148 570531142 /nfs/dbraw/zinc/53/11/42/570531142.db2.gz QDFIDWLGSAYJAM-FUHWJXTLSA-N 1 1 361.530 5.169 40 0 FKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072215227 570530874 /nfs/dbraw/zinc/53/08/74/570530874.db2.gz NVNWYYCPAHNRHS-AEFFLSMTSA-N 1 1 361.530 5.167 40 0 FKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@H+]1C(C)C ZINC000072215228 570530843 /nfs/dbraw/zinc/53/08/43/570530843.db2.gz NVNWYYCPAHNRHS-WMZOPIPTSA-N 1 1 361.530 5.167 40 0 FKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1C(C)C ZINC000072215229 570531147 /nfs/dbraw/zinc/53/11/47/570531147.db2.gz NVNWYYCPAHNRHS-SJLPKXTDSA-N 1 1 361.530 5.167 40 0 FKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@H+]1C(C)C ZINC000072215230 570531137 /nfs/dbraw/zinc/53/11/37/570531137.db2.gz NVNWYYCPAHNRHS-FUHWJXTLSA-N 1 1 361.530 5.167 40 0 FKABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215231 570531070 /nfs/dbraw/zinc/53/10/70/570531070.db2.gz ACNVLENRHNVGCA-FUHWJXTLSA-N 1 1 361.530 5.169 40 0 FKABMO CCC[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@@H](C)CC ZINC000072215232 570530968 /nfs/dbraw/zinc/53/09/68/570530968.db2.gz ACNVLENRHNVGCA-WMZOPIPTSA-N 1 1 361.530 5.169 40 0 FKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1CC ZINC000072215257 570530890 /nfs/dbraw/zinc/53/08/90/570530890.db2.gz OUQNPYQOOXIBHM-AEFFLSMTSA-N 1 1 361.530 5.169 40 0 FKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@H+]1CC ZINC000072215258 570530905 /nfs/dbraw/zinc/53/09/05/570530905.db2.gz OUQNPYQOOXIBHM-WMZOPIPTSA-N 1 1 361.530 5.169 40 0 FKABMO CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1CC ZINC000072215259 570531132 /nfs/dbraw/zinc/53/11/32/570531132.db2.gz OUQNPYQOOXIBHM-SJLPKXTDSA-N 1 1 361.530 5.169 40 0 FKABMO CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@H+]1CC ZINC000072215260 570531116 /nfs/dbraw/zinc/53/11/16/570531116.db2.gz OUQNPYQOOXIBHM-FUHWJXTLSA-N 1 1 361.530 5.169 40 0 FKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215344 570531485 /nfs/dbraw/zinc/53/14/85/570531485.db2.gz DPVJBLMBRCJOLT-LJQANCHMSA-N 1 1 373.541 5.169 40 0 FKABMO CC(C)C[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215345 570531417 /nfs/dbraw/zinc/53/14/17/570531417.db2.gz DPVJBLMBRCJOLT-IBGZPJMESA-N 1 1 373.541 5.169 40 0 FKABMO CCCC[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215346 570531647 /nfs/dbraw/zinc/53/16/47/570531647.db2.gz AQQBBTLALCOZEA-LJQANCHMSA-N 1 1 373.541 5.313 40 0 FKABMO CCCC[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1 ZINC000072215347 570531610 /nfs/dbraw/zinc/53/16/10/570531610.db2.gz AQQBBTLALCOZEA-IBGZPJMESA-N 1 1 373.541 5.313 40 0 FKABMO CC(C)C[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215404 570531598 /nfs/dbraw/zinc/53/15/98/570531598.db2.gz AXTCITGLFAUGOG-LJQANCHMSA-N 1 1 373.541 5.169 40 0 FKABMO CC(C)C[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215405 570531501 /nfs/dbraw/zinc/53/15/01/570531501.db2.gz AXTCITGLFAUGOG-IBGZPJMESA-N 1 1 373.541 5.169 40 0 FKABMO CCCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215406 570531566 /nfs/dbraw/zinc/53/15/66/570531566.db2.gz VMQYTVYMSRJUJL-LJQANCHMSA-N 1 1 373.541 5.313 40 0 FKABMO CCCC[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1 ZINC000072215407 570531574 /nfs/dbraw/zinc/53/15/74/570531574.db2.gz VMQYTVYMSRJUJL-IBGZPJMESA-N 1 1 373.541 5.313 40 0 FKABMO CC(C)C[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215445 570531515 /nfs/dbraw/zinc/53/15/15/570531515.db2.gz AGHLVHDRAJMNKN-LJQANCHMSA-N 1 1 373.541 5.169 40 0 FKABMO CC(C)C[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215446 570531561 /nfs/dbraw/zinc/53/15/61/570531561.db2.gz AGHLVHDRAJMNKN-IBGZPJMESA-N 1 1 373.541 5.169 40 0 FKABMO CCCC[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215447 570531509 /nfs/dbraw/zinc/53/15/09/570531509.db2.gz SFOYRWJIGJJCLR-LJQANCHMSA-N 1 1 373.541 5.313 40 0 FKABMO CCCC[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215448 570531494 /nfs/dbraw/zinc/53/14/94/570531494.db2.gz SFOYRWJIGJJCLR-IBGZPJMESA-N 1 1 373.541 5.313 40 0 FKABMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215460 570531670 /nfs/dbraw/zinc/53/16/70/570531670.db2.gz HCDGTRCQHGJSOC-LJQANCHMSA-N 1 1 373.541 5.313 40 0 FKABMO CCC[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215461 570531554 /nfs/dbraw/zinc/53/15/54/570531554.db2.gz HCDGTRCQHGJSOC-IBGZPJMESA-N 1 1 373.541 5.313 40 0 FKABMO CC(C)[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215462 570531440 /nfs/dbraw/zinc/53/14/40/570531440.db2.gz TUIWVBDCQBWSPC-LJQANCHMSA-N 1 1 373.541 5.311 40 0 FKABMO CC(C)[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 ZINC000072215463 570531618 /nfs/dbraw/zinc/53/16/18/570531618.db2.gz TUIWVBDCQBWSPC-IBGZPJMESA-N 1 1 373.541 5.311 40 0 FKABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215505 570531448 /nfs/dbraw/zinc/53/14/48/570531448.db2.gz UTWLGSRGHTVNCG-LJQANCHMSA-N 1 1 373.541 5.169 40 0 FKABMO CC(C)C[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215506 570531455 /nfs/dbraw/zinc/53/14/55/570531455.db2.gz UTWLGSRGHTVNCG-IBGZPJMESA-N 1 1 373.541 5.169 40 0 FKABMO CCCC[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215507 570531464 /nfs/dbraw/zinc/53/14/64/570531464.db2.gz UQWHCCRHGDIBTJ-LJQANCHMSA-N 1 1 373.541 5.313 40 0 FKABMO CCCC[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215508 570531636 /nfs/dbraw/zinc/53/16/36/570531636.db2.gz UQWHCCRHGDIBTJ-IBGZPJMESA-N 1 1 373.541 5.313 40 0 FKABMO CCC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215520 570532009 /nfs/dbraw/zinc/53/20/09/570532009.db2.gz MUPBHBQYRMVAMF-LJQANCHMSA-N 1 1 373.541 5.313 40 0 FKABMO CCC[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215521 570532003 /nfs/dbraw/zinc/53/20/03/570532003.db2.gz MUPBHBQYRMVAMF-IBGZPJMESA-N 1 1 373.541 5.313 40 0 FKABMO CC(C)[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215522 570532162 /nfs/dbraw/zinc/53/21/62/570532162.db2.gz UQHAISRZXFJCTR-LJQANCHMSA-N 1 1 373.541 5.311 40 0 FKABMO CC(C)[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 ZINC000072215523 570532115 /nfs/dbraw/zinc/53/21/15/570532115.db2.gz UQHAISRZXFJCTR-IBGZPJMESA-N 1 1 373.541 5.311 40 0 FKABMO CC(C)[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215561 570532242 /nfs/dbraw/zinc/53/22/42/570532242.db2.gz XYGPFMWRWDBZSU-LJQANCHMSA-N 1 1 373.541 5.311 40 0 FKABMO CC(C)[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215562 570531953 /nfs/dbraw/zinc/53/19/53/570531953.db2.gz XYGPFMWRWDBZSU-IBGZPJMESA-N 1 1 373.541 5.311 40 0 FKABMO CCC[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215563 570532143 /nfs/dbraw/zinc/53/21/43/570532143.db2.gz CDOLGYMFRHXHKG-LJQANCHMSA-N 1 1 373.541 5.313 40 0 FKABMO CCC[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215564 570531984 /nfs/dbraw/zinc/53/19/84/570531984.db2.gz CDOLGYMFRHXHKG-IBGZPJMESA-N 1 1 373.541 5.313 40 0 FKABMO CC[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215578 570532016 /nfs/dbraw/zinc/53/20/16/570532016.db2.gz YENKQSBGNWHDQB-LJQANCHMSA-N 1 1 373.541 5.313 40 0 FKABMO CC[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 ZINC000072215579 570532194 /nfs/dbraw/zinc/53/21/94/570532194.db2.gz YENKQSBGNWHDQB-IBGZPJMESA-N 1 1 373.541 5.313 40 0 FKABMO CC(C)[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215621 570527607 /nfs/dbraw/zinc/52/76/07/570527607.db2.gz LTEPVPYTYBMSFX-LJQANCHMSA-N 1 1 373.541 5.311 40 0 FKABMO CC(C)[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215622 570527618 /nfs/dbraw/zinc/52/76/18/570527618.db2.gz LTEPVPYTYBMSFX-IBGZPJMESA-N 1 1 373.541 5.311 40 0 FKABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215623 570527636 /nfs/dbraw/zinc/52/76/36/570527636.db2.gz GPZVVFKCECJGNF-LJQANCHMSA-N 1 1 373.541 5.313 40 0 FKABMO CCC[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215624 570527508 /nfs/dbraw/zinc/52/75/08/570527508.db2.gz GPZVVFKCECJGNF-IBGZPJMESA-N 1 1 373.541 5.313 40 0 FKABMO CC[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215638 570527666 /nfs/dbraw/zinc/52/76/66/570527666.db2.gz RKDCXBDHDQHOLZ-LJQANCHMSA-N 1 1 373.541 5.313 40 0 FKABMO CC[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 ZINC000072215639 570527533 /nfs/dbraw/zinc/52/75/33/570527533.db2.gz RKDCXBDHDQHOLZ-IBGZPJMESA-N 1 1 373.541 5.313 40 0 FKABMO CC[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215673 570532894 /nfs/dbraw/zinc/53/28/94/570532894.db2.gz PRWFZDQJQHAAFP-LJQANCHMSA-N 1 1 373.541 5.313 40 0 FKABMO CC[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215674 570532940 /nfs/dbraw/zinc/53/29/40/570532940.db2.gz PRWFZDQJQHAAFP-IBGZPJMESA-N 1 1 373.541 5.313 40 0 FKABMO C[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215696 570532870 /nfs/dbraw/zinc/53/28/70/570532870.db2.gz VTFLRMYIGAHHSN-IBGZPJMESA-N 1 1 373.541 5.313 40 0 FKABMO C[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 ZINC000072215697 570532984 /nfs/dbraw/zinc/53/29/84/570532984.db2.gz VTFLRMYIGAHHSN-LJQANCHMSA-N 1 1 373.541 5.313 40 0 FKABMO CC[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215733 570533021 /nfs/dbraw/zinc/53/30/21/570533021.db2.gz CUSLBKXYDUYQFR-LJQANCHMSA-N 1 1 373.541 5.313 40 0 FKABMO CC[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215734 570532905 /nfs/dbraw/zinc/53/29/05/570532905.db2.gz CUSLBKXYDUYQFR-IBGZPJMESA-N 1 1 373.541 5.313 40 0 FKABMO C[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215756 570532888 /nfs/dbraw/zinc/53/28/88/570532888.db2.gz BUVMTCBAXYHGOY-IBGZPJMESA-N 1 1 373.541 5.313 40 0 FKABMO C[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 ZINC000072215757 570532959 /nfs/dbraw/zinc/53/29/59/570532959.db2.gz BUVMTCBAXYHGOY-LJQANCHMSA-N 1 1 373.541 5.313 40 0 FKABMO CC[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215793 570533042 /nfs/dbraw/zinc/53/30/42/570533042.db2.gz KQASWKJKSQNHSO-LJQANCHMSA-N 1 1 367.493 5.312 40 0 FKABMO CC[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215794 570532966 /nfs/dbraw/zinc/53/29/66/570532966.db2.gz KQASWKJKSQNHSO-IBGZPJMESA-N 1 1 367.493 5.312 40 0 FKABMO C[N@H+]1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215816 570532931 /nfs/dbraw/zinc/53/29/31/570532931.db2.gz BBIOKLAWSYFWST-IBGZPJMESA-N 1 1 367.493 5.312 40 0 FKABMO C[N@H+]1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 ZINC000072215817 570532973 /nfs/dbraw/zinc/53/29/73/570532973.db2.gz BBIOKLAWSYFWST-LJQANCHMSA-N 1 1 367.493 5.312 40 0 FKABMO CC[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215853 570533515 /nfs/dbraw/zinc/53/35/15/570533515.db2.gz LJQCBXMAVDOKPN-LJQANCHMSA-N 1 1 367.493 5.312 40 0 FKABMO CC[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215854 570533362 /nfs/dbraw/zinc/53/33/62/570533362.db2.gz LJQCBXMAVDOKPN-IBGZPJMESA-N 1 1 367.493 5.312 40 0 FKABMO C[N@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215876 570533492 /nfs/dbraw/zinc/53/34/92/570533492.db2.gz WXOQAVYVDKCOJX-IBGZPJMESA-N 1 1 367.493 5.312 40 0 FKABMO C[N@@H+]1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215876 570533489 /nfs/dbraw/zinc/53/34/89/570533489.db2.gz WXOQAVYVDKCOJX-IBGZPJMESA-N 1 1 367.493 5.312 40 0 FKABMO C[N@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215877 570533378 /nfs/dbraw/zinc/53/33/78/570533378.db2.gz WXOQAVYVDKCOJX-LJQANCHMSA-N 1 1 367.493 5.312 40 0 FKABMO C[N@@H+]1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 ZINC000072215877 570533373 /nfs/dbraw/zinc/53/33/73/570533373.db2.gz WXOQAVYVDKCOJX-LJQANCHMSA-N 1 1 367.493 5.312 40 0 FKABMO c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(SC3CCCCC3)nc2)cc1 ZINC000072217230 570531938 /nfs/dbraw/zinc/53/19/38/570531938.db2.gz GYKNAWZMBOWBGV-OAQYLSRUSA-N 1 1 352.547 5.844 40 0 FKABMO c1ccc(C[N@H+]2CCC[C@H]2c2ccc(SC3CCCCC3)nc2)cc1 ZINC000072217231 570532038 /nfs/dbraw/zinc/53/20/38/570532038.db2.gz GYKNAWZMBOWBGV-NRFANRHFSA-N 1 1 352.547 5.844 40 0 FKABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(SC3CCCCC3)nc2)cc1 ZINC000072217267 570531963 /nfs/dbraw/zinc/53/19/63/570531963.db2.gz DQLBXWQOQVZXFL-JOCHJYFZSA-N 1 1 366.574 6.234 40 0 FKABMO c1ccc(C[N@H+]2CCCC[C@H]2c2ccc(SC3CCCCC3)nc2)cc1 ZINC000072217268 570531971 /nfs/dbraw/zinc/53/19/71/570531971.db2.gz DQLBXWQOQVZXFL-QFIPXVFZSA-N 1 1 366.574 6.234 40 0 FKABMO c1ccc(C[N@H+]2CCC[C@@H]2c2cccnc2SC2CCCCC2)cc1 ZINC000072217290 570532059 /nfs/dbraw/zinc/53/20/59/570532059.db2.gz DPHTVSJKGMPQBX-OAQYLSRUSA-N 1 1 352.547 5.844 40 0 FKABMO c1ccc(C[N@H+]2CCC[C@H]2c2cccnc2SC2CCCCC2)cc1 ZINC000072217291 570531992 /nfs/dbraw/zinc/53/19/92/570531992.db2.gz DPHTVSJKGMPQBX-NRFANRHFSA-N 1 1 352.547 5.844 40 0 FKABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2SC2CCCCC2)cc1 ZINC000072217327 570532152 /nfs/dbraw/zinc/53/21/52/570532152.db2.gz OZLVOGNJRPRSRL-JOCHJYFZSA-N 1 1 366.574 6.234 40 0 FKABMO c1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2SC2CCCCC2)cc1 ZINC000072217328 570532174 /nfs/dbraw/zinc/53/21/74/570532174.db2.gz OZLVOGNJRPRSRL-QFIPXVFZSA-N 1 1 366.574 6.234 40 0 FKABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2ccc(Sc3ccccc3)nc2)cc1 ZINC000072217627 570532527 /nfs/dbraw/zinc/53/25/27/570532527.db2.gz GLTSZHKAUDMKMO-JOCHJYFZSA-N 1 1 360.526 5.960 40 0 FKABMO c1ccc(C[N@H+]2CCCC[C@H]2c2ccc(Sc3ccccc3)nc2)cc1 ZINC000072217628 570532459 /nfs/dbraw/zinc/53/24/59/570532459.db2.gz GLTSZHKAUDMKMO-QFIPXVFZSA-N 1 1 360.526 5.960 40 0 FKABMO c1ccc(C[N@H+]2CCCC[C@@H]2c2cccnc2Sc2ccccc2)cc1 ZINC000072217687 570532501 /nfs/dbraw/zinc/53/25/01/570532501.db2.gz SMHULYPLIIIDMB-JOCHJYFZSA-N 1 1 360.526 5.960 40 0 FKABMO c1ccc(C[N@H+]2CCCC[C@H]2c2cccnc2Sc2ccccc2)cc1 ZINC000072217688 570532627 /nfs/dbraw/zinc/53/26/27/570532627.db2.gz SMHULYPLIIIDMB-QFIPXVFZSA-N 1 1 360.526 5.960 40 0 FKABMO Cc1cccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]CC(C)C)C=C3C)[nH]c21 ZINC000072320973 560077119 /nfs/dbraw/zinc/07/71/19/560077119.db2.gz SEVWXXBPRGOORX-ACRUOGEOSA-N 1 1 367.581 5.514 40 0 biogenic,in-vitro FKABMO Cc1cccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C(C)C)C=C3C)[nH]c21 ZINC000072320980 205030132 /nfs/dbraw/zinc/03/01/32/205030132.db2.gz YKRVTFSBFKRAFD-UFYCRDLUSA-N 1 1 353.554 5.266 40 0 biogenic,in-vitro FKABMO Clc1ccccc1Cc1cccc([C@@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072357685 571182714 /nfs/dbraw/zinc/18/27/14/571182714.db2.gz ACMJURPOIXCDRI-QFIPXVFZSA-N 1 1 363.892 5.058 40 0 FKABMO Clc1ccccc1Cc1cccc([C@H]2CCC[N@H+]2Cc2cccnc2)n1 ZINC000072357686 571182645 /nfs/dbraw/zinc/18/26/45/571182645.db2.gz ACMJURPOIXCDRI-JOCHJYFZSA-N 1 1 363.892 5.058 40 0 FKABMO Clc1ccc(Cc2cccc([C@@H]3CCC[N@H+]3Cc3cccnc3)n2)cc1 ZINC000072357687 571182655 /nfs/dbraw/zinc/18/26/55/571182655.db2.gz RAJOKPJRLUOBKX-QFIPXVFZSA-N 1 1 363.892 5.058 40 0 FKABMO Clc1ccc(Cc2cccc([C@H]3CCC[N@H+]3Cc3cccnc3)n2)cc1 ZINC000072357688 571182567 /nfs/dbraw/zinc/18/25/67/571182567.db2.gz RAJOKPJRLUOBKX-JOCHJYFZSA-N 1 1 363.892 5.058 40 0 FKABMO Clc1ccccc1Cc1cccc([C@@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072357719 571183021 /nfs/dbraw/zinc/18/30/21/571183021.db2.gz USHGHVMEFZIVAC-QFIPXVFZSA-N 1 1 363.892 5.058 40 0 FKABMO Clc1ccccc1Cc1cccc([C@H]2CCC[N@H+]2Cc2ccccn2)n1 ZINC000072357720 571183042 /nfs/dbraw/zinc/18/30/42/571183042.db2.gz USHGHVMEFZIVAC-JOCHJYFZSA-N 1 1 363.892 5.058 40 0 FKABMO Cc1ccc(Cc2cccc([C@@H]3CCC[N@H+]3Cc3ccc(O)cc3)n2)cc1 ZINC000072357898 571182997 /nfs/dbraw/zinc/18/29/97/571182997.db2.gz XFWHGJGPDXSZHY-DEOSSOPVSA-N 1 1 358.485 5.024 40 0 FKABMO Cc1ccc(Cc2cccc([C@H]3CCC[N@H+]3Cc3ccc(O)cc3)n2)cc1 ZINC000072357899 571182988 /nfs/dbraw/zinc/18/29/88/571182988.db2.gz XFWHGJGPDXSZHY-XMMPIXPASA-N 1 1 358.485 5.024 40 0 FKABMO Cc1cnc(Nc2cccc([C@@H]3CCC[N@H+]3Cc3ccccc3F)n2)s1 ZINC000072375109 571185431 /nfs/dbraw/zinc/18/54/31/571185431.db2.gz SGRWESBHLAUCLO-SFHVURJKSA-N 1 1 368.481 5.066 40 0 FKABMO Cc1cnc(Nc2cccc([C@@H]3CCC[N@@H+]3Cc3ccccc3F)n2)s1 ZINC000072375109 571185430 /nfs/dbraw/zinc/18/54/30/571185430.db2.gz SGRWESBHLAUCLO-SFHVURJKSA-N 1 1 368.481 5.066 40 0 FKABMO Cc1cnc(Nc2cccc([C@H]3CCC[N@H+]3Cc3ccccc3F)n2)s1 ZINC000072375110 571185301 /nfs/dbraw/zinc/18/53/01/571185301.db2.gz SGRWESBHLAUCLO-GOSISDBHSA-N 1 1 368.481 5.066 40 0 FKABMO Cc1cnc(Nc2cccc([C@H]3CCC[N@@H+]3Cc3ccccc3F)n2)s1 ZINC000072375110 571185299 /nfs/dbraw/zinc/18/52/99/571185299.db2.gz SGRWESBHLAUCLO-GOSISDBHSA-N 1 1 368.481 5.066 40 0 FKABMO Fc1ccc(-c2cn[nH]c2[C@H]2CCC[N@H+]2Cc2ccc3ncccc3c2)cc1 ZINC000072380349 571188184 /nfs/dbraw/zinc/18/81/84/571188184.db2.gz HBILLSJAEMVCIR-JOCHJYFZSA-N 1 1 372.447 5.101 40 0 FKABMO Fc1ccc(-c2cn[nH]c2[C@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)cc1 ZINC000072380349 571188183 /nfs/dbraw/zinc/18/81/83/571188183.db2.gz HBILLSJAEMVCIR-JOCHJYFZSA-N 1 1 372.447 5.101 40 0 FKABMO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+]2Cc2ccc3ncccc3c2)cc1 ZINC000072380349 571188182 /nfs/dbraw/zinc/18/81/82/571188182.db2.gz HBILLSJAEMVCIR-JOCHJYFZSA-N 1 1 372.447 5.101 40 0 FKABMO Fc1ccc(-c2cn[nH]c2[C@@H]2CCC[N@H+]2Cc2ccc3ncccc3c2)cc1 ZINC000072380350 571188133 /nfs/dbraw/zinc/18/81/33/571188133.db2.gz HBILLSJAEMVCIR-QFIPXVFZSA-N 1 1 372.447 5.101 40 0 FKABMO Fc1ccc(-c2cn[nH]c2[C@@H]2CCC[N@@H+]2Cc2ccc3ncccc3c2)cc1 ZINC000072380350 571188132 /nfs/dbraw/zinc/18/81/32/571188132.db2.gz HBILLSJAEMVCIR-QFIPXVFZSA-N 1 1 372.447 5.101 40 0 FKABMO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+]2Cc2ccc3ncccc3c2)cc1 ZINC000072380350 571188131 /nfs/dbraw/zinc/18/81/31/571188131.db2.gz HBILLSJAEMVCIR-QFIPXVFZSA-N 1 1 372.447 5.101 40 0 FKABMO Fc1ccccc1-c1c[nH]nc1[C@@H]1CCC[N@H+]1Cc1ccc2ncccc2c1 ZINC000072380351 571188158 /nfs/dbraw/zinc/18/81/58/571188158.db2.gz JBILWRJWVQZBIQ-QFIPXVFZSA-N 1 1 372.447 5.101 40 0 FKABMO Fc1ccccc1-c1c[nH]nc1[C@H]1CCC[N@H+]1Cc1ccc2ncccc2c1 ZINC000072380352 571188155 /nfs/dbraw/zinc/18/81/55/571188155.db2.gz JBILWRJWVQZBIQ-JOCHJYFZSA-N 1 1 372.447 5.101 40 0 FKABMO c1[nH]nc([C@@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)c1-c1ccccc1 ZINC000072380357 571188008 /nfs/dbraw/zinc/18/80/08/571188008.db2.gz LPDNLOYBIBDEJW-OAQYLSRUSA-N 1 1 368.484 5.005 40 0 FKABMO c1[nH]nc([C@H]2CCC[N@H+](Cc3ccc4ncccc4c3)C2)c1-c1ccccc1 ZINC000072380358 571188022 /nfs/dbraw/zinc/18/80/22/571188022.db2.gz LPDNLOYBIBDEJW-NRFANRHFSA-N 1 1 368.484 5.005 40 0 FKABMO Fc1ccc(-c2cn[nH]c2[C@H]2CCC[N@H+]2Cc2ccnc3ccccc23)cc1 ZINC000072380367 571188171 /nfs/dbraw/zinc/18/81/71/571188171.db2.gz RFUBUHHBYMOAQG-JOCHJYFZSA-N 1 1 372.447 5.101 40 0 FKABMO Fc1ccc(-c2cn[nH]c2[C@H]2CCC[N@@H+]2Cc2ccnc3ccccc23)cc1 ZINC000072380367 571188170 /nfs/dbraw/zinc/18/81/70/571188170.db2.gz RFUBUHHBYMOAQG-JOCHJYFZSA-N 1 1 372.447 5.101 40 0 FKABMO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+]2Cc2ccnc3ccccc23)cc1 ZINC000072380367 571188169 /nfs/dbraw/zinc/18/81/69/571188169.db2.gz RFUBUHHBYMOAQG-JOCHJYFZSA-N 1 1 372.447 5.101 40 0 FKABMO Fc1ccc(-c2cn[nH]c2[C@@H]2CCC[N@H+]2Cc2ccnc3ccccc23)cc1 ZINC000072380368 571188144 /nfs/dbraw/zinc/18/81/44/571188144.db2.gz RFUBUHHBYMOAQG-QFIPXVFZSA-N 1 1 372.447 5.101 40 0 FKABMO Fc1ccc(-c2cn[nH]c2[C@@H]2CCC[N@@H+]2Cc2ccnc3ccccc23)cc1 ZINC000072380368 571188143 /nfs/dbraw/zinc/18/81/43/571188143.db2.gz RFUBUHHBYMOAQG-QFIPXVFZSA-N 1 1 372.447 5.101 40 0 FKABMO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+]2Cc2ccnc3ccccc23)cc1 ZINC000072380368 571188142 /nfs/dbraw/zinc/18/81/42/571188142.db2.gz RFUBUHHBYMOAQG-QFIPXVFZSA-N 1 1 372.447 5.101 40 0 FKABMO CC(C)c1ccc(C[N@H+]2CCC[C@H](c3nnc(-c4cccs4)o3)C2)cc1 ZINC000072390079 571189665 /nfs/dbraw/zinc/18/96/65/571189665.db2.gz XWLSUIYVWSHAIS-SFHVURJKSA-N 1 1 367.518 5.301 40 0 FKABMO CC(C)c1ccc(C[N@H+]2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)cc1 ZINC000072390080 571189685 /nfs/dbraw/zinc/18/96/85/571189685.db2.gz XWLSUIYVWSHAIS-GOSISDBHSA-N 1 1 367.518 5.301 40 0 FKABMO CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)cc1 ZINC000072390151 571189654 /nfs/dbraw/zinc/18/96/54/571189654.db2.gz DBMWDEYUQLZKFJ-LJQANCHMSA-N 1 1 367.518 5.649 40 0 FKABMO CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc(-c3ccsc3)o2)cc1 ZINC000072390151 571189653 /nfs/dbraw/zinc/18/96/53/571189653.db2.gz DBMWDEYUQLZKFJ-LJQANCHMSA-N 1 1 367.518 5.649 40 0 FKABMO CC(C)c1ccc(C[N@H+]2CCCC[C@H]2c2nnc(-c3ccsc3)o2)cc1 ZINC000072390152 571189676 /nfs/dbraw/zinc/18/96/76/571189676.db2.gz DBMWDEYUQLZKFJ-IBGZPJMESA-N 1 1 367.518 5.649 40 0 FKABMO CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2c2nnc(-c3ccsc3)o2)cc1 ZINC000072390152 571189675 /nfs/dbraw/zinc/18/96/75/571189675.db2.gz DBMWDEYUQLZKFJ-IBGZPJMESA-N 1 1 367.518 5.649 40 0 FKABMO Cc1ccc(-c2nnc([C@@H]3CCC[N@@H+]3Cc3ccc(C(C)C)cc3)o2)s1 ZINC000072390173 571189683 /nfs/dbraw/zinc/18/96/83/571189683.db2.gz GWPAYTVODSNCEY-SFHVURJKSA-N 1 1 367.518 5.567 40 0 FKABMO Cc1ccc(-c2nnc([C@@H]3CCC[N@H+]3Cc3ccc(C(C)C)cc3)o2)s1 ZINC000072390173 571189682 /nfs/dbraw/zinc/18/96/82/571189682.db2.gz GWPAYTVODSNCEY-SFHVURJKSA-N 1 1 367.518 5.567 40 0 FKABMO Cc1ccc(-c2nnc([C@H]3CCC[N@@H+]3Cc3ccc(C(C)C)cc3)o2)s1 ZINC000072390174 571189672 /nfs/dbraw/zinc/18/96/72/571189672.db2.gz GWPAYTVODSNCEY-GOSISDBHSA-N 1 1 367.518 5.567 40 0 FKABMO Cc1ccc(-c2nnc([C@H]3CCC[N@H+]3Cc3ccc(C(C)C)cc3)o2)s1 ZINC000072390174 571189671 /nfs/dbraw/zinc/18/96/71/571189671.db2.gz GWPAYTVODSNCEY-GOSISDBHSA-N 1 1 367.518 5.567 40 0 FKABMO CCOc1ccc([C@@H](C)[N@@H+](C)Cc2c3cccnc3[nH]c2C(C)C)cc1 ZINC000072393371 571190278 /nfs/dbraw/zinc/19/02/78/571190278.db2.gz ZHSROVMTPARQBT-MRXNPFEDSA-N 1 1 351.494 5.278 40 0 FKABMO CCOc1ccc([C@H](C)[N@@H+](C)Cc2c3cccnc3[nH]c2C(C)C)cc1 ZINC000072393372 571190241 /nfs/dbraw/zinc/19/02/41/571190241.db2.gz ZHSROVMTPARQBT-INIZCTEOSA-N 1 1 351.494 5.278 40 0 FKABMO CC[NH+](CC)c1ccc(-n2c3ccccc3nc2-c2cccc(N)c2)cc1 ZINC000073739980 571084085 /nfs/dbraw/zinc/08/40/85/571084085.db2.gz AIQKHNCCCNZONX-UHFFFAOYSA-N 1 1 356.473 5.121 40 0 FKABMO CC[NH+](CC)c1ccc(-n2c3ccccc3nc2-c2ccc(C)cc2)cc1 ZINC000073739983 211687226 /nfs/dbraw/zinc/68/72/26/211687226.db2.gz ZGSKATIELMXJAM-UHFFFAOYSA-N 1 1 355.485 5.847 40 0 FKABMO CC[NH+](CC)c1ccc(-n2c3ccccc3nc2-c2ccc(N)cc2)cc1 ZINC000073739986 571083981 /nfs/dbraw/zinc/08/39/81/571083981.db2.gz OHCIUENXHQQWOW-UHFFFAOYSA-N 1 1 356.473 5.121 40 0 FKABMO Cc1cccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](C[NH2+]C4CCC4)C=C3C)[nH]c21 ZINC000077262171 208198136 /nfs/dbraw/zinc/19/81/36/208198136.db2.gz HILXSGUSLUJUQM-ZJOUEHCJSA-N 1 1 365.565 5.411 40 0 biogenic,in-vitro FKABMO C[C@]12C[C@@H](c3ccccc3)[N@@H+](Cc3ccccc3)[C@H]1CCCCC2(F)F ZINC000095951588 570472247 /nfs/dbraw/zinc/47/22/47/570472247.db2.gz QLHHPUDOSJNERU-FKBYEOEOSA-N 1 1 355.472 6.218 40 0 FKABMO C[N@H+]1CCCC[C@@H](n2cc(C(=O)C3C(C)(C)C3(C)C)c3ccccc32)C1 ZINC000096032822 571334188 /nfs/dbraw/zinc/33/41/88/571334188.db2.gz VNSNHIFBQMRMRE-MRXNPFEDSA-N 1 1 352.522 5.163 40 0 in-vitro FKABMO C[N@H+]1CCCC[C@H](n2cc(C(=O)C3C(C)(C)C3(C)C)c3ccccc32)C1 ZINC000096032824 571334159 /nfs/dbraw/zinc/33/41/59/571334159.db2.gz VNSNHIFBQMRMRE-INIZCTEOSA-N 1 1 352.522 5.163 40 0 in-vitro FKABMO c1ccc([C@H]2C3=C(c4ccccc4CC3)[N@@H+]3CCO[C@@]34CCCC[C@H]24)cc1 ZINC000102692924 222304836 /nfs/dbraw/zinc/30/48/36/222304836.db2.gz CKZZOIDHUAISOG-GIFXNVAJSA-N 1 1 357.497 5.360 40 0 FKABMO CCC[N@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@H](C)CC)nc1 ZINC000108371095 571318863 /nfs/dbraw/zinc/31/88/63/571318863.db2.gz DVFGELBPMWYQMT-SJLPKXTDSA-N 1 1 361.530 5.169 40 0 FKABMO CCC[N@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)[C@H](C)CC)nc1 ZINC000108371100 571318903 /nfs/dbraw/zinc/31/89/03/571318903.db2.gz DVFGELBPMWYQMT-AEFFLSMTSA-N 1 1 361.530 5.169 40 0 FKABMO CCC[N@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@H](C)CC ZINC000108371260 571318877 /nfs/dbraw/zinc/31/88/77/571318877.db2.gz ACNVLENRHNVGCA-SJLPKXTDSA-N 1 1 361.530 5.169 40 0 FKABMO CCC[N@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)[C@H](C)CC ZINC000108371265 571318880 /nfs/dbraw/zinc/31/88/80/571318880.db2.gz ACNVLENRHNVGCA-AEFFLSMTSA-N 1 1 361.530 5.169 40 0 FKABMO CCc1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000113934884 570826113 /nfs/dbraw/zinc/82/61/13/570826113.db2.gz VBTDMEBCFXYILA-UHFFFAOYSA-N 1 1 370.496 5.060 40 0 FKABMO C[C@@H](CC(=O)OC(C)(C)C)[N@@H+](Cc1ccccc1)[C@@H](C)c1ccccc1 ZINC000137083304 571307148 /nfs/dbraw/zinc/30/71/48/571307148.db2.gz OAZSEAYAIFYYFG-OALUTQOASA-N 1 1 353.506 5.370 40 0 FKABMO Brc1cccc(C[NH+](Cc2ccccc2)Cc2ccccc2)n1 ZINC000199826259 210172731 /nfs/dbraw/zinc/17/27/31/210172731.db2.gz QHJKZNFSXNIZBH-UHFFFAOYSA-N 1 1 367.290 5.047 40 0 FKABMO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c(C)c1 ZINC000215943594 206351908 /nfs/dbraw/zinc/35/19/08/206351908.db2.gz GWEMPGCEXUVECL-UYAOXDASSA-N 1 1 364.533 5.026 40 0 FKABMO Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000216121197 568106825 /nfs/dbraw/zinc/10/68/25/568106825.db2.gz UCAMTVWENPZTGJ-UYAOXDASSA-N 1 1 364.533 5.026 40 0 FKABMO C[N@@H+](Cc1ccc2oc(-c3ccccc3Cl)nc2c1)C1CCCCC1 ZINC000216798777 210156014 /nfs/dbraw/zinc/15/60/14/210156014.db2.gz POBYMFQKRULGPQ-UHFFFAOYSA-N 1 1 354.881 5.913 40 0 FKABMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc2oc(-c3ccccc3Cl)nc2c1 ZINC000216799099 210156761 /nfs/dbraw/zinc/15/67/61/210156761.db2.gz ROQQJDARBRCJCX-GASCZTMLSA-N 1 1 354.881 5.911 40 0 FKABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc3oc(-c4ccccc4Cl)nc3c2)C1 ZINC000216799345 571141649 /nfs/dbraw/zinc/14/16/49/571141649.db2.gz AETRIGPAXQQEJN-GASCZTMLSA-N 1 1 354.881 5.626 40 0 FKABMO C[C@@H]1CCC[C@H](C)[N@@H+]1Cc1ccc2oc(-c3cccc(Cl)c3)nc2c1 ZINC000216841080 206361627 /nfs/dbraw/zinc/36/16/27/206361627.db2.gz UIFJBXWTFLRWMI-GASCZTMLSA-N 1 1 354.881 5.911 40 0 FKABMO C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc3oc(-c4cccc(Cl)c4)nc3c2)C1 ZINC000216841446 210160592 /nfs/dbraw/zinc/16/05/92/210160592.db2.gz VAXFQKMUDFCHEL-GASCZTMLSA-N 1 1 354.881 5.626 40 0 FKABMO Cc1ccc([C@@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1C ZINC000219238877 568278100 /nfs/dbraw/zinc/27/81/00/568278100.db2.gz ZKNQJRWTDLSMKQ-YLJYHZDGSA-N 1 1 364.533 5.026 40 0 FKABMO Cc1ccc([C@H](C)NC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1C ZINC000219238945 568278272 /nfs/dbraw/zinc/27/82/72/568278272.db2.gz ZKNQJRWTDLSMKQ-XLIONFOSSA-N 1 1 364.533 5.026 40 0 FKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc4ccccc4c3)cc2)C1 ZINC000222791956 568563310 /nfs/dbraw/zinc/56/33/10/568563310.db2.gz CLCOTEVULRXDQX-LJQANCHMSA-N 1 1 372.512 5.002 40 0 FKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc4ccccc4c3)cc2)C1 ZINC000222792013 568563285 /nfs/dbraw/zinc/56/32/85/568563285.db2.gz CLCOTEVULRXDQX-IBGZPJMESA-N 1 1 372.512 5.002 40 0 FKABMO C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3cccc4ccccc43)cc2)C1 ZINC000222868524 568574084 /nfs/dbraw/zinc/57/40/84/568574084.db2.gz GKCYFBJWPCXFBR-LJQANCHMSA-N 1 1 372.512 5.002 40 0 FKABMO C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3cccc4ccccc43)cc2)C1 ZINC000222868600 568574109 /nfs/dbraw/zinc/57/41/09/568574109.db2.gz GKCYFBJWPCXFBR-IBGZPJMESA-N 1 1 372.512 5.002 40 0 FKABMO CC[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1 ZINC000229928587 571279288 /nfs/dbraw/zinc/27/92/88/571279288.db2.gz AOUWTGIEFIEWFQ-KEVKATSASA-N 1 1 371.524 5.719 40 0 FKABMO Cc1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000245227123 524437901 /nfs/dbraw/zinc/43/79/01/524437901.db2.gz BCRCBMUYJMQKMF-IZZNHLLZSA-N 1 1 370.540 5.143 40 0 FKABMO Cc1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000245227123 524437896 /nfs/dbraw/zinc/43/78/96/524437896.db2.gz BCRCBMUYJMQKMF-IZZNHLLZSA-N 1 1 370.540 5.143 40 0 FKABMO Cc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000245227123 524437886 /nfs/dbraw/zinc/43/78/86/524437886.db2.gz BCRCBMUYJMQKMF-IZZNHLLZSA-N 1 1 370.540 5.143 40 0 FKABMO Cc1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000245227124 524440431 /nfs/dbraw/zinc/44/04/31/524440431.db2.gz BCRCBMUYJMQKMF-UIOOFZCWSA-N 1 1 370.540 5.143 40 0 FKABMO Cc1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000245227124 524440430 /nfs/dbraw/zinc/44/04/30/524440430.db2.gz BCRCBMUYJMQKMF-UIOOFZCWSA-N 1 1 370.540 5.143 40 0 FKABMO Cc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000245227124 524440426 /nfs/dbraw/zinc/44/04/26/524440426.db2.gz BCRCBMUYJMQKMF-UIOOFZCWSA-N 1 1 370.540 5.143 40 0 FKABMO C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1c1ccccc1)c1ccccc1 ZINC000245227260 525618240 /nfs/dbraw/zinc/61/82/40/525618240.db2.gz IWJZDETVJSSMLD-MZBJOSPHSA-N 1 1 370.540 5.396 40 0 FKABMO C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1c1ccccc1)c1ccccc1 ZINC000245227261 525566151 /nfs/dbraw/zinc/56/61/51/525566151.db2.gz IWJZDETVJSSMLD-OUIFVKKZSA-N 1 1 370.540 5.396 40 0 FKABMO CC[C@@H]1[C@H](c2ccccc2)[N@@H+](C)[C@@H](c2ccccc2)C[C@]1(O)c1ccccc1 ZINC000245333765 523622798 /nfs/dbraw/zinc/62/27/98/523622798.db2.gz AOUWTGIEFIEWFQ-XPGKHFPBSA-N 1 1 371.524 5.719 40 0 FKABMO Clc1ccc(-c2ccc(C(N3CCCCC3)[NH+]3CCCCC3)o2)cc1 ZINC000252482576 571319624 /nfs/dbraw/zinc/31/96/24/571319624.db2.gz DJNSPNXJQNUBRK-UHFFFAOYSA-N 1 1 358.913 5.570 40 0 FKABMO CCCC[C@@H](CC)C[N@@H+]1CN2CN(C[C@@H](CC)CCCC)C[C@]2(C)C1 ZINC000255988500 571318165 /nfs/dbraw/zinc/31/81/65/571318165.db2.gz MSJBLPVXRJMJSY-ZBYYUNFXSA-N 1 1 351.623 5.026 40 0 in-man FKABMO CCCC[C@@H](CC)C[N@H+]1CN2CN(C[C@@H](CC)CCCC)C[C@]2(C)C1 ZINC000255988500 571318164 /nfs/dbraw/zinc/31/81/64/571318164.db2.gz MSJBLPVXRJMJSY-ZBYYUNFXSA-N 1 1 351.623 5.026 40 0 in-man FKABMO CCCC[C@@H](CC)CN1CN2C[N@@H+](C[C@@H](CC)CCCC)C[C@]2(C)C1 ZINC000255988500 571318163 /nfs/dbraw/zinc/31/81/63/571318163.db2.gz MSJBLPVXRJMJSY-ZBYYUNFXSA-N 1 1 351.623 5.026 40 0 in-man FKABMO Cc1ccccc1Cc1ccc([C@@H]2CCCC[N@H+]2Cc2ccccn2)cn1 ZINC000257235219 223031517 /nfs/dbraw/zinc/03/15/17/223031517.db2.gz GWYBNKVLGHTKGR-DEOSSOPVSA-N 1 1 357.501 5.103 40 0 FKABMO Cc1ccccc1Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2ccccn2)cn1 ZINC000257235219 223031514 /nfs/dbraw/zinc/03/15/14/223031514.db2.gz GWYBNKVLGHTKGR-DEOSSOPVSA-N 1 1 357.501 5.103 40 0 FKABMO Cc1ccccc1Cc1ccc([C@H]2CCCC[N@H+]2Cc2ccccn2)cn1 ZINC000257235220 223032229 /nfs/dbraw/zinc/03/22/29/223032229.db2.gz GWYBNKVLGHTKGR-XMMPIXPASA-N 1 1 357.501 5.103 40 0 FKABMO Cc1ccccc1Cc1ccc([C@H]2CCCC[N@@H+]2Cc2ccccn2)cn1 ZINC000257235220 223032226 /nfs/dbraw/zinc/03/22/26/223032226.db2.gz GWYBNKVLGHTKGR-XMMPIXPASA-N 1 1 357.501 5.103 40 0 FKABMO Cc1noc2nc([C@H]3CCC[N@@H+](C[C@@H]4CC=CCC4)C3)cc(C(F)F)c12 ZINC000257239577 571318330 /nfs/dbraw/zinc/31/83/30/571318330.db2.gz HPYMVKBEFDZIKO-CABCVRRESA-N 1 1 361.436 5.005 40 0 FKABMO Cc1noc2nc([C@@H]3CCC[N@@H+](C[C@@H]4CC=CCC4)C3)cc(C(F)F)c12 ZINC000257239578 571318340 /nfs/dbraw/zinc/31/83/40/571318340.db2.gz HPYMVKBEFDZIKO-HUUCEWRRSA-N 1 1 361.436 5.005 40 0 FKABMO Fc1ccc(Cc2ccc([C@@H]3CCC[N@H+]3CCc3ccccc3)nc2)cc1 ZINC000257266990 571318304 /nfs/dbraw/zinc/31/83/04/571318304.db2.gz MFKZNABHCMITSZ-DEOSSOPVSA-N 1 1 360.476 5.191 40 0 FKABMO Fc1ccc(Cc2ccc([C@H]3CCC[N@H+]3CCc3ccccc3)nc2)cc1 ZINC000257266991 223044726 /nfs/dbraw/zinc/04/47/26/223044726.db2.gz MFKZNABHCMITSZ-XMMPIXPASA-N 1 1 360.476 5.191 40 0 FKABMO COc1ccc(CNc2cccc([C@H]3CCC[N@H+]3C3CCCCC3)n2)cc1 ZINC000257267755 223044053 /nfs/dbraw/zinc/04/40/53/223044053.db2.gz MIPXGYSJLTVNAL-JOCHJYFZSA-N 1 1 365.521 5.172 40 0 FKABMO COc1ccc(CNc2cccc([C@@H]3CCC[N@H+]3C3CCCCC3)n2)cc1 ZINC000257267756 571318313 /nfs/dbraw/zinc/31/83/13/571318313.db2.gz MIPXGYSJLTVNAL-QFIPXVFZSA-N 1 1 365.521 5.172 40 0 FKABMO Cc1ccccc1Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cccnc2)cn1 ZINC000257275720 223046460 /nfs/dbraw/zinc/04/64/60/223046460.db2.gz NQQHIUMYXLKYRL-DEOSSOPVSA-N 1 1 357.501 5.103 40 0 FKABMO Cc1ccccc1Cc1ccc([C@H]2CCCC[N@H+]2Cc2cccnc2)cn1 ZINC000257275721 571318310 /nfs/dbraw/zinc/31/83/10/571318310.db2.gz NQQHIUMYXLKYRL-XMMPIXPASA-N 1 1 357.501 5.103 40 0 FKABMO CC[NH+]1Cc2ccccc2OC2(CCC([N@@H+](C)CC3=CCCCC3)CC2)C1 ZINC000257286951 571318335 /nfs/dbraw/zinc/31/83/35/571318335.db2.gz PNTYSVKMYRRBDT-UHFFFAOYSA-N 1 1 368.565 5.015 40 0 FKABMO CC[NH+]1Cc2ccccc2OC2(CCC([N@H+](C)CC3=CCCCC3)CC2)C1 ZINC000257286951 571318334 /nfs/dbraw/zinc/31/83/34/571318334.db2.gz PNTYSVKMYRRBDT-UHFFFAOYSA-N 1 1 368.565 5.015 40 0 FKABMO CC(C)c1nc(NCc2ccccc2)cc(N2Cc3ccccc3C[C@H]2C)[nH+]1 ZINC000328957183 132371854 /nfs/dbraw/zinc/37/18/54/132371854.db2.gz AJODVGNJQCWAQQ-GOSISDBHSA-N 1 1 372.516 5.163 40 0 FKABMO CC(C)c1nc(NCc2ccccc2)cc(N2Cc3ccccc3C[C@@H]2C)[nH+]1 ZINC000328957194 132371865 /nfs/dbraw/zinc/37/18/65/132371865.db2.gz AJODVGNJQCWAQQ-SFHVURJKSA-N 1 1 372.516 5.163 40 0 FKABMO CC[C@H](C)Nc1cc(N2Cc3ccccc3CC2(C)C)[nH+]c(C(C)C)n1 ZINC000328958406 132371919 /nfs/dbraw/zinc/37/19/19/132371919.db2.gz ANLRDVGGZVPUBB-INIZCTEOSA-N 1 1 352.526 5.152 40 0 FKABMO CC[C@@H](C)Nc1cc(N2Cc3ccccc3CC2(C)C)[nH+]c(C(C)C)n1 ZINC000328958407 132371913 /nfs/dbraw/zinc/37/19/13/132371913.db2.gz ANLRDVGGZVPUBB-MRXNPFEDSA-N 1 1 352.526 5.152 40 0 FKABMO CC(C)c1nc(NC2CCCC2)cc(N2Cc3ccccc3C(C)(C)C2)[nH+]1 ZINC000328972107 132372080 /nfs/dbraw/zinc/37/20/80/132372080.db2.gz DSZSKNOYJLUKLU-UHFFFAOYSA-N 1 1 364.537 5.252 40 0 FKABMO CC[C@H](C)Nc1cc(N2CCc3cc(Cl)ccc3C2)[nH+]c(C(C)C)n1 ZINC000328983200 132372002 /nfs/dbraw/zinc/37/20/02/132372002.db2.gz HEVPAXVYOFXNIW-AWEZNQCLSA-N 1 1 358.917 5.027 40 0 FKABMO CC[C@@H](C)Nc1cc(N2CCc3cc(Cl)ccc3C2)[nH+]c(C(C)C)n1 ZINC000328983204 132372035 /nfs/dbraw/zinc/37/20/35/132372035.db2.gz HEVPAXVYOFXNIW-CQSZACIVSA-N 1 1 358.917 5.027 40 0 FKABMO CC1(C)Cc2ccccc2CN1c1cc(NC2CCCC2)nc(C2CC2)[nH+]1 ZINC000328993769 132372349 /nfs/dbraw/zinc/37/23/49/132372349.db2.gz JBKMAPSABUSTJY-UHFFFAOYSA-N 1 1 362.521 5.050 40 0 FKABMO CC1(C)Cc2ccccc2CN1c1cc(NC2CCCC2)[nH+]c(C2CC2)n1 ZINC000328993769 132372348 /nfs/dbraw/zinc/37/23/48/132372348.db2.gz JBKMAPSABUSTJY-UHFFFAOYSA-N 1 1 362.521 5.050 40 0 FKABMO CC(C)c1nc(NC2CCCCC2)cc(N2Cc3ccccc3C[C@@H]2C)[nH+]1 ZINC000329012532 132372479 /nfs/dbraw/zinc/37/24/79/132372479.db2.gz MJVLQVGNSXOGTH-KRWDZBQOSA-N 1 1 364.537 5.296 40 0 FKABMO CC(C)c1nc(NC2CCCCC2)cc(N2Cc3ccccc3C[C@H]2C)[nH+]1 ZINC000329012533 132372518 /nfs/dbraw/zinc/37/25/18/132372518.db2.gz MJVLQVGNSXOGTH-QGZVFWFLSA-N 1 1 364.537 5.296 40 0 FKABMO CC[C@H](C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)[nH+]c(C(C)C)n1 ZINC000329018866 132372600 /nfs/dbraw/zinc/37/26/00/132372600.db2.gz NTDYSJLMNTXNEC-INIZCTEOSA-N 1 1 352.526 5.108 40 0 FKABMO CC[C@@H](C)Nc1cc(N2Cc3ccccc3C(C)(C)C2)[nH+]c(C(C)C)n1 ZINC000329018867 132372482 /nfs/dbraw/zinc/37/24/82/132372482.db2.gz NTDYSJLMNTXNEC-MRXNPFEDSA-N 1 1 352.526 5.108 40 0 FKABMO CC(C)c1nc(NC2CCCC2)cc(N2Cc3ccccc3CC2(C)C)[nH+]1 ZINC000329019797 132372622 /nfs/dbraw/zinc/37/26/22/132372622.db2.gz NXWOYTGOIVRLDR-UHFFFAOYSA-N 1 1 364.537 5.296 40 0 FKABMO CC1(C)CN(c2cc(NC3CCCC3)nc(C3CC3)[nH+]2)Cc2ccccc21 ZINC000329050865 132373089 /nfs/dbraw/zinc/37/30/89/132373089.db2.gz UVJGJVSPRQBEKU-UHFFFAOYSA-N 1 1 362.521 5.006 40 0 FKABMO CC1(C)CN(c2cc(NC3CCCC3)[nH+]c(C3CC3)n2)Cc2ccccc21 ZINC000329050865 132373088 /nfs/dbraw/zinc/37/30/88/132373088.db2.gz UVJGJVSPRQBEKU-UHFFFAOYSA-N 1 1 362.521 5.006 40 0 FKABMO C[C@H]1Cc2ccccc2CN1c1cc(NC2CCCCC2)nc(C2CC2)[nH+]1 ZINC000329065079 132372993 /nfs/dbraw/zinc/37/29/93/132372993.db2.gz XOWFYSCMMVASJM-INIZCTEOSA-N 1 1 362.521 5.050 40 0 FKABMO C[C@H]1Cc2ccccc2CN1c1cc(NC2CCCCC2)[nH+]c(C2CC2)n1 ZINC000329065079 132372992 /nfs/dbraw/zinc/37/29/92/132372992.db2.gz XOWFYSCMMVASJM-INIZCTEOSA-N 1 1 362.521 5.050 40 0 FKABMO C[C@@H]1Cc2ccccc2CN1c1cc(NC2CCCCC2)nc(C2CC2)[nH+]1 ZINC000329065080 132373035 /nfs/dbraw/zinc/37/30/35/132373035.db2.gz XOWFYSCMMVASJM-MRXNPFEDSA-N 1 1 362.521 5.050 40 0 FKABMO C[C@@H]1Cc2ccccc2CN1c1cc(NC2CCCCC2)[nH+]c(C2CC2)n1 ZINC000329065080 132373034 /nfs/dbraw/zinc/37/30/34/132373034.db2.gz XOWFYSCMMVASJM-MRXNPFEDSA-N 1 1 362.521 5.050 40 0 FKABMO CC(C)c1nc(NC2CCCC2)cc(N2CCc3cc(Cl)ccc3C2)[nH+]1 ZINC000329070232 132373241 /nfs/dbraw/zinc/37/32/41/132373241.db2.gz ZFEBFFXTEHPIBY-UHFFFAOYSA-N 1 1 370.928 5.171 40 0 FKABMO Fc1ccc(Cc2ccc([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)nc2)cc1 ZINC000585176605 571157093 /nfs/dbraw/zinc/15/70/93/571157093.db2.gz CBAMNQNDQAZHOH-HSZRJFAPSA-N 1 1 374.503 5.234 40 0 FKABMO Fc1ccc(Cc2ccc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)nc2)cc1 ZINC000585176606 571157114 /nfs/dbraw/zinc/15/71/14/571157114.db2.gz CBAMNQNDQAZHOH-QHCPKHFHSA-N 1 1 374.503 5.234 40 0 FKABMO Fc1cccc(Cc2ccc([C@@H]3CCC[N@@H+](CCc4ccccc4)C3)nc2)c1 ZINC000585176607 571237875 /nfs/dbraw/zinc/23/78/75/571237875.db2.gz QIQVTFGRBAROBW-HSZRJFAPSA-N 1 1 374.503 5.234 40 0 FKABMO Fc1cccc(Cc2ccc([C@H]3CCC[N@@H+](CCc4ccccc4)C3)nc2)c1 ZINC000585176608 571157128 /nfs/dbraw/zinc/15/71/28/571157128.db2.gz QIQVTFGRBAROBW-QHCPKHFHSA-N 1 1 374.503 5.234 40 0 FKABMO COc1cccc(Cc2ccc([C@H]3CCC[N@H+]3CCc3ccccc3)nc2)c1 ZINC000585176610 571157118 /nfs/dbraw/zinc/15/71/18/571157118.db2.gz VPWHOHXDAFUXIT-RUZDIDTESA-N 1 1 372.512 5.061 40 0 FKABMO COc1cccc(Cc2ccc([C@@H]3CCC[N@H+]3CCc3ccccc3)nc2)c1 ZINC000585176611 571237988 /nfs/dbraw/zinc/23/79/88/571237988.db2.gz VPWHOHXDAFUXIT-VWLOTQADSA-N 1 1 372.512 5.061 40 0 FKABMO